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 1gnt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFCFQCQETA KNTGCTVKGM CGKPEETANL QDLLIFVLRG IAIYGEKLKE DATA SEQUENCE LGQPDRSNDD FVLQGLFATI TNANWDDARF EAMISEGLAR RDKLRNAFLA DATA SEQUENCE VYKAKNGKDF SEPLPEAATW TGDSTAFAEK AKSVGILATE NEDVRSLREL DATA SEQUENCE LIIGLKGVAA YAEHAAVLGF RKTEIDEFML EALASTTKDL SVDEMVALVM DATA SEQUENCE KAGGMAVTTM ALLDEANTTT YGNPEITQVN IGVGKNPGIL ISGHDLKDMA DATA SEQUENCE ELLKQTEGTG VDVYTHGEML PANYYPAFKK YPHFVGNYGG SWWQQNPEFE DATA SEQUENCE SFNGPILLTT NCLVPLKKEN TYLDRLYTTG VVGYEGAKHI ADRPAGGAKD DATA SEQUENCE FSALIAQAKK CPPPVEIETG SIVGGFAHHQ VLALADKVVE AVKSGAIKRF DATA SEQUENCE VVMAGCDGRQ KSRSYYTEVA ENLPKDTVIL TAGCAKYRYN KLNLGDIGGI DATA SEQUENCE PRVLDAGQCN DSYSLAVIAL KLKEVFGLDD INDLPVSYDI AWYEQKAVAV DATA SEQUENCE LLALLFLGVK GIRLGPTLPA FLSPNVAKVL VENFNIKPIG TVQDDIAAMM DATA SEQUENCE AGK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.345 176.300 0.075 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.029 0.000 1.302 2 F N 1.450 121.333 119.950 -0.112 0.000 2.607 2 F HA 0.781 5.309 4.527 0.001 0.000 0.322 2 F C -1.832 173.870 175.800 -0.163 0.000 1.176 2 F CA -0.587 57.327 58.000 -0.143 0.000 0.977 2 F CB 1.777 40.660 39.000 -0.196 0.000 1.242 2 F HN 1.043 nan 8.300 nan 0.000 0.465 3 C N 8.036 126.851 119.300 -0.807 0.000 2.701 3 C HA 0.722 5.182 4.460 0.000 0.000 0.336 3 C C -0.741 173.979 174.990 -0.451 0.000 1.123 3 C CA -0.523 58.220 59.018 -0.458 0.000 1.326 3 C CB 0.790 28.401 27.740 -0.214 0.000 1.833 3 C HN 0.803 nan 8.230 nan 0.000 0.473 4 F N 4.311 124.094 119.950 -0.278 0.000 2.856 4 F HA 0.290 4.818 4.527 0.000 0.000 0.333 4 F C 1.073 176.981 175.800 0.180 0.000 1.200 4 F CA -0.555 57.403 58.000 -0.069 0.000 1.128 4 F CB -1.364 37.649 39.000 0.023 0.000 1.172 4 F HN 0.724 nan 8.300 nan 0.000 0.511 5 Q N 1.024 121.021 119.800 0.329 0.000 2.432 5 Q HA 0.186 4.526 4.340 0.000 0.000 0.205 5 Q C 0.853 176.996 176.000 0.238 0.000 0.945 5 Q CA 0.823 56.726 55.803 0.167 0.000 0.924 5 Q CB -0.100 28.633 28.738 -0.008 0.000 1.016 5 Q HN 0.495 nan 8.270 nan 0.000 0.503 6 C N -1.898 117.478 119.300 0.127 0.000 2.630 6 C HA 0.374 4.834 4.460 0.000 0.000 0.346 6 C C 1.487 176.374 174.990 -0.173 0.000 1.245 6 C CA -0.770 58.176 59.018 -0.121 0.000 1.804 6 C CB 2.110 29.532 27.740 -0.529 0.000 2.279 6 C HN 0.393 nan 8.230 nan 0.000 0.498 7 Q N 0.464 119.832 119.800 -0.719 0.000 2.226 7 Q HA -0.112 4.228 4.340 0.000 0.000 0.204 7 Q C 1.487 177.378 176.000 -0.182 0.000 0.975 7 Q CA 1.932 57.283 55.803 -0.752 0.000 0.866 7 Q CB -0.065 27.926 28.738 -1.246 0.000 0.915 7 Q HN 0.922 nan 8.270 nan 0.000 0.440 8 E N 0.459 120.638 120.200 -0.036 0.000 2.476 8 E HA 0.019 4.369 4.350 0.000 0.000 0.191 8 E C 0.106 176.743 176.600 0.062 0.000 1.064 8 E CA -0.207 56.238 56.400 0.074 0.000 0.866 8 E CB 0.160 29.997 29.700 0.228 0.000 0.952 8 E HN 0.121 nan 8.360 nan 0.000 0.492 9 T N 1.052 115.635 114.554 0.049 0.000 2.946 9 T HA 0.087 4.437 4.350 0.000 0.000 0.312 9 T C 0.207 174.940 174.700 0.054 0.000 1.066 9 T CA -0.279 61.855 62.100 0.057 0.000 1.138 9 T CB 0.417 69.344 68.868 0.098 0.000 1.014 9 T HN 0.193 nan 8.240 nan 0.000 0.544 10 A N 5.125 127.969 122.820 0.039 0.000 2.548 10 A HA 0.293 4.613 4.320 0.000 0.000 0.247 10 A C 1.156 178.774 177.584 0.055 0.000 1.067 10 A CA -0.131 51.931 52.037 0.041 0.000 0.757 10 A CB -0.123 18.895 19.000 0.029 0.000 0.996 10 A HN 0.970 nan 8.150 nan 0.000 0.504 11 K N 1.231 121.661 120.400 0.050 0.000 3.193 11 K HA -0.262 4.058 4.320 0.000 0.000 0.294 11 K C 0.365 177.004 176.600 0.065 0.000 1.185 11 K CA 1.182 57.501 56.287 0.054 0.000 0.866 11 K CB -2.008 30.527 32.500 0.058 0.000 1.227 11 K HN 1.283 nan 8.250 nan 0.000 0.467 12 N N -0.479 118.263 118.700 0.070 0.000 2.708 12 N HA -0.216 4.524 4.740 0.000 0.000 0.249 12 N C 0.529 176.108 175.510 0.116 0.000 1.097 12 N CA 1.931 55.032 53.050 0.084 0.000 0.710 12 N CB -0.962 37.564 38.487 0.066 0.000 1.032 12 N HN 0.712 nan 8.380 nan 0.000 0.551 13 T N -5.133 109.509 114.554 0.146 0.000 3.010 13 T HA 0.543 4.893 4.350 0.000 0.000 0.252 13 T C 0.745 175.632 174.700 0.313 0.000 0.963 13 T CA 0.545 62.782 62.100 0.229 0.000 0.952 13 T CB 1.118 70.103 68.868 0.195 0.000 1.182 13 T HN 0.903 nan 8.240 nan 0.000 0.495 14 G N 0.024 108.910 108.800 0.143 0.000 2.322 14 G HA2 0.332 4.292 3.960 0.000 0.000 0.289 14 G HA3 0.332 4.292 3.960 0.000 0.000 0.289 14 G C -0.921 173.872 174.900 -0.179 0.000 1.687 14 G CA -0.810 44.213 45.100 -0.129 0.000 0.944 14 G HN 0.467 nan 8.290 nan 0.000 0.718 15 C N 1.965 121.102 119.300 -0.271 0.000 2.499 15 C HA 0.620 5.080 4.460 0.000 0.000 0.386 15 C C 1.860 176.746 174.990 -0.173 0.000 1.293 15 C CA 0.487 59.413 59.018 -0.154 0.000 1.884 15 C CB 0.094 27.769 27.740 -0.109 0.000 2.509 15 C HN 1.031 nan 8.230 nan 0.000 0.566 16 T N -0.817 113.713 114.554 -0.041 0.000 2.975 16 T HA 0.122 4.472 4.350 0.000 0.000 0.261 16 T C 0.818 175.531 174.700 0.021 0.000 0.984 16 T CA 0.235 62.349 62.100 0.023 0.000 0.911 16 T CB 0.033 68.954 68.868 0.089 0.000 1.127 16 T HN 0.426 nan 8.240 nan 0.000 0.514 17 V N -0.121 119.800 119.914 0.012 0.000 3.054 17 V HA 0.492 4.613 4.120 0.000 0.000 0.227 17 V C 0.166 176.269 176.094 0.016 0.000 1.252 17 V CA 0.172 62.482 62.300 0.016 0.000 1.279 17 V CB 0.684 32.520 31.823 0.021 0.000 1.118 17 V HN 0.396 nan 8.190 nan 0.000 0.504 18 K N 0.159 120.573 120.400 0.022 0.000 2.523 18 K HA 0.552 4.872 4.320 0.000 0.000 0.257 18 K C -0.225 176.401 176.600 0.044 0.000 0.932 18 K CA -0.265 56.046 56.287 0.039 0.000 0.812 18 K CB 2.042 34.572 32.500 0.050 0.000 1.326 18 K HN 0.308 nan 8.250 nan 0.000 0.433 19 G N 2.648 111.486 108.800 0.062 0.000 2.544 19 G HA2 0.072 4.032 3.960 0.000 0.000 0.242 19 G HA3 0.072 4.032 3.960 0.000 0.000 0.242 19 G C 0.926 175.890 174.900 0.106 0.000 1.247 19 G CA -0.503 44.639 45.100 0.070 0.000 0.840 19 G HN 0.612 nan 8.290 nan 0.000 0.578 20 M N 1.481 121.141 119.600 0.100 0.000 2.358 20 M HA -0.089 4.391 4.480 0.000 0.000 0.264 20 M C 2.543 178.956 176.300 0.188 0.000 1.064 20 M CA 0.837 56.209 55.300 0.121 0.000 1.093 20 M CB -1.451 31.212 32.600 0.105 0.000 1.401 20 M HN 0.780 nan 8.290 nan 0.000 0.440 21 C N -1.568 117.880 119.300 0.247 0.000 2.500 21 C HA 0.488 4.948 4.460 0.000 0.000 0.273 21 C C 1.809 177.048 174.990 0.415 0.000 1.428 21 C CA 0.293 59.536 59.018 0.375 0.000 1.766 21 C CB -1.085 26.903 27.740 0.414 0.000 1.817 21 C HN 0.711 nan 8.230 nan 0.000 0.543 22 G N 0.369 109.359 108.800 0.317 0.000 2.184 22 G HA2 -0.206 3.754 3.960 0.000 0.000 0.206 22 G HA3 -0.206 3.754 3.960 0.000 0.000 0.206 22 G C 0.046 175.188 174.900 0.402 0.000 0.995 22 G CA 0.135 45.397 45.100 0.270 0.000 0.651 22 G HN 0.753 nan 8.290 nan 0.000 0.511 23 K N 2.066 122.740 120.400 0.457 0.000 2.402 23 K HA 0.415 4.735 4.320 0.000 0.000 0.285 23 K C -2.042 174.663 176.600 0.173 0.000 1.054 23 K CA -1.311 55.186 56.287 0.350 0.000 1.001 23 K CB 0.773 33.313 32.500 0.068 0.000 0.946 23 K HN 0.126 nan 8.250 nan 0.000 0.473 24 P HA 0.010 nan 4.420 nan 0.000 0.274 24 P C 0.087 177.406 177.300 0.032 0.000 1.237 24 P CA -0.249 62.901 63.100 0.084 0.000 0.793 24 P CB 0.891 32.640 31.700 0.083 0.000 0.977 25 E N 1.031 121.240 120.200 0.016 0.000 2.086 25 E HA -0.278 4.072 4.350 0.000 0.000 0.200 25 E C 1.320 177.907 176.600 -0.022 0.000 1.012 25 E CA 1.642 58.037 56.400 -0.008 0.000 0.812 25 E CB -0.059 29.640 29.700 -0.003 0.000 0.743 25 E HN 0.460 nan 8.360 nan 0.000 0.453 26 E N -0.633 119.564 120.200 -0.005 0.000 2.077 26 E HA -0.144 4.206 4.350 0.000 0.000 0.193 26 E C 2.164 178.743 176.600 -0.036 0.000 0.989 26 E CA 1.598 57.994 56.400 -0.007 0.000 0.800 26 E CB -0.039 29.673 29.700 0.019 0.000 0.746 26 E HN 0.302 nan 8.360 nan 0.000 0.452 27 T N 1.035 115.569 114.554 -0.035 0.000 2.737 27 T HA -0.128 4.222 4.350 0.000 0.000 0.265 27 T C 2.059 176.613 174.700 -0.243 0.000 1.038 27 T CA 1.172 63.205 62.100 -0.111 0.000 1.144 27 T CB -0.247 68.606 68.868 -0.024 0.000 0.866 27 T HN 0.239 nan 8.240 nan 0.000 0.434 28 A N 2.568 125.289 122.820 -0.165 0.000 1.908 28 A HA -0.195 4.125 4.320 0.000 0.000 0.218 28 A C 2.240 179.707 177.584 -0.195 0.000 1.181 28 A CA 1.735 53.660 52.037 -0.187 0.000 0.627 28 A CB -0.686 18.243 19.000 -0.120 0.000 0.818 28 A HN 0.393 nan 8.150 nan 0.000 0.445 29 N N -0.006 118.605 118.700 -0.147 0.000 2.188 29 N HA -0.047 4.693 4.740 0.000 0.000 0.184 29 N C 1.590 176.997 175.510 -0.173 0.000 1.018 29 N CA 1.152 54.118 53.050 -0.140 0.000 0.858 29 N CB -0.504 37.925 38.487 -0.097 0.000 0.989 29 N HN 0.504 nan 8.380 nan 0.000 0.426 30 L N 1.060 122.170 121.223 -0.188 0.000 2.093 30 L HA -0.152 4.188 4.340 0.000 0.000 0.208 30 L C 2.306 178.985 176.870 -0.318 0.000 1.085 30 L CA 1.051 55.776 54.840 -0.193 0.000 0.755 30 L CB -0.325 41.660 42.059 -0.124 0.000 0.904 30 L HN 0.205 nan 8.230 nan 0.000 0.435 31 Q N -0.259 119.238 119.800 -0.505 0.000 2.084 31 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 31 Q C 1.787 177.650 176.000 -0.228 0.000 0.978 31 Q CA 1.556 57.071 55.803 -0.480 0.000 0.844 31 Q CB -0.139 28.279 28.738 -0.533 0.000 0.898 31 Q HN 0.485 nan 8.270 nan 0.000 0.426 32 D N 0.661 120.944 120.400 -0.196 0.000 2.123 32 D HA -0.155 4.485 4.640 0.000 0.000 0.196 32 D C 1.854 178.088 176.300 -0.109 0.000 0.992 32 D CA 0.812 54.731 54.000 -0.134 0.000 0.833 32 D CB -0.121 40.593 40.800 -0.145 0.000 0.954 32 D HN 0.108 nan 8.370 nan 0.000 0.455 33 L N 0.599 121.731 121.223 -0.151 0.000 2.093 33 L HA -0.079 4.261 4.340 0.000 0.000 0.208 33 L C 2.109 178.975 176.870 -0.007 0.000 1.085 33 L CA 1.080 55.836 54.840 -0.141 0.000 0.755 33 L CB -0.633 41.284 42.059 -0.237 0.000 0.904 33 L HN -0.016 nan 8.230 nan 0.000 0.435 34 L N -0.556 120.650 121.223 -0.028 0.000 2.012 34 L HA -0.212 4.128 4.340 0.000 0.000 0.210 34 L C 2.350 179.252 176.870 0.053 0.000 1.073 34 L CA 1.825 56.688 54.840 0.038 0.000 0.748 34 L CB -0.713 41.392 42.059 0.077 0.000 0.891 34 L HN 0.221 nan 8.230 nan 0.000 0.431 35 I N -0.767 119.816 120.570 0.022 0.000 2.286 35 I HA -0.301 3.869 4.170 0.000 0.000 0.248 35 I C 2.511 178.668 176.117 0.066 0.000 1.115 35 I CA 1.423 62.734 61.300 0.019 0.000 1.392 35 I CB -1.398 36.595 38.000 -0.011 0.000 1.065 35 I HN 0.350 nan 8.210 nan 0.000 0.418 36 F N 1.700 121.606 119.950 -0.074 0.000 2.095 36 F HA -0.228 4.299 4.527 0.000 0.000 0.298 36 F C 2.443 178.231 175.800 -0.020 0.000 1.104 36 F CA 1.689 59.648 58.000 -0.069 0.000 1.232 36 F CB -0.398 38.531 39.000 -0.118 0.000 0.987 36 F HN -0.166 nan 8.300 nan 0.000 0.475 37 V N 0.957 120.913 119.914 0.070 0.000 2.407 37 V HA -0.304 3.816 4.120 0.000 0.000 0.248 37 V C 2.491 178.586 176.094 0.002 0.000 1.055 37 V CA 1.919 64.225 62.300 0.011 0.000 1.049 37 V CB -0.752 31.151 31.823 0.134 0.000 0.662 37 V HN 0.408 nan 8.190 nan 0.000 0.455 38 L N -0.568 120.677 121.223 0.037 0.000 2.083 38 L HA -0.192 4.148 4.340 0.000 0.000 0.209 38 L C 2.777 179.622 176.870 -0.042 0.000 1.083 38 L CA 1.622 56.482 54.840 0.033 0.000 0.752 38 L CB -0.633 41.437 42.059 0.018 0.000 0.899 38 L HN 0.256 nan 8.230 nan 0.000 0.433 39 R N -0.117 120.326 120.500 -0.096 0.000 2.096 39 R HA -0.116 4.224 4.340 0.000 0.000 0.235 39 R C 2.396 178.578 176.300 -0.196 0.000 1.127 39 R CA 1.254 57.266 56.100 -0.148 0.000 0.968 39 R CB -0.679 29.524 30.300 -0.162 0.000 0.861 39 R HN 0.446 nan 8.270 nan 0.000 0.440 40 G N 1.282 109.946 108.800 -0.226 0.000 2.418 40 G HA2 -0.222 3.738 3.960 0.000 0.000 0.217 40 G HA3 -0.222 3.738 3.960 0.000 0.000 0.217 40 G C 1.461 176.309 174.900 -0.087 0.000 1.158 40 G CA 0.517 45.493 45.100 -0.207 0.000 0.771 40 G HN 0.151 nan 8.290 nan 0.000 0.545 41 I N 1.441 122.004 120.570 -0.011 0.000 2.163 41 I HA -0.241 3.929 4.170 0.000 0.000 0.243 41 I C 3.298 179.410 176.117 -0.009 0.000 1.085 41 I CA 1.099 62.425 61.300 0.043 0.000 1.347 41 I CB -0.219 37.819 38.000 0.063 0.000 1.044 41 I HN 0.258 nan 8.210 nan 0.000 0.408 42 A N 0.915 123.695 122.820 -0.067 0.000 1.902 42 A HA -0.173 4.147 4.320 0.000 0.000 0.217 42 A C 2.291 179.776 177.584 -0.166 0.000 1.181 42 A CA 1.408 53.384 52.037 -0.101 0.000 0.623 42 A CB -0.787 18.142 19.000 -0.118 0.000 0.818 42 A HN 0.372 nan 8.150 nan 0.000 0.443 43 I N -1.711 118.700 120.570 -0.264 0.000 2.118 43 I HA -0.334 3.836 4.170 0.000 0.000 0.241 43 I C 2.420 178.257 176.117 -0.468 0.000 1.070 43 I CA 1.790 62.844 61.300 -0.410 0.000 1.327 43 I CB -0.478 37.172 38.000 -0.585 0.000 1.034 43 I HN 0.430 nan 8.210 nan 0.000 0.405 44 Y N 0.500 120.632 120.300 -0.279 0.000 2.263 44 Y HA -0.066 4.484 4.550 0.000 0.000 0.292 44 Y C 2.606 178.373 175.900 -0.222 0.000 1.130 44 Y CA 1.139 59.028 58.100 -0.352 0.000 1.179 44 Y CB -1.312 37.000 38.460 -0.247 0.000 0.998 44 Y HN 0.103 nan 8.280 nan 0.000 0.532 45 G N -0.408 108.394 108.800 0.002 0.000 2.432 45 G HA2 -0.268 3.692 3.960 0.000 0.000 0.219 45 G HA3 -0.268 3.692 3.960 0.000 0.000 0.219 45 G C 1.575 176.459 174.900 -0.027 0.000 1.135 45 G CA 0.975 46.075 45.100 -0.000 0.000 0.767 45 G HN 0.464 nan 8.290 nan 0.000 0.550 46 E N 0.397 120.554 120.200 -0.071 0.000 2.072 46 E HA -0.090 4.260 4.350 0.000 0.000 0.191 46 E C 2.351 178.915 176.600 -0.060 0.000 0.985 46 E CA 0.863 57.224 56.400 -0.066 0.000 0.801 46 E CB -0.088 29.556 29.700 -0.093 0.000 0.750 46 E HN 0.358 nan 8.360 nan 0.000 0.452 47 K N 0.246 120.570 120.400 -0.128 0.000 2.097 47 K HA -0.112 4.208 4.320 0.000 0.000 0.206 47 K C 2.267 178.895 176.600 0.048 0.000 1.049 47 K CA 0.995 57.222 56.287 -0.100 0.000 0.933 47 K CB -0.071 32.185 32.500 -0.407 0.000 0.717 47 K HN 0.197 nan 8.250 nan 0.000 0.442 48 L N 1.132 122.390 121.223 0.058 0.000 2.056 48 L HA -0.197 4.143 4.340 0.000 0.000 0.207 48 L C 2.590 179.506 176.870 0.077 0.000 1.078 48 L CA 1.256 56.166 54.840 0.117 0.000 0.749 48 L CB -0.306 41.813 42.059 0.101 0.000 0.901 48 L HN 0.168 nan 8.230 nan 0.000 0.433 49 K N 0.573 121.001 120.400 0.046 0.000 2.026 49 K HA -0.228 4.092 4.320 0.000 0.000 0.208 49 K C 1.876 178.503 176.600 0.045 0.000 1.048 49 K CA 1.707 58.017 56.287 0.039 0.000 0.929 49 K CB -0.026 32.490 32.500 0.027 0.000 0.713 49 K HN 0.302 nan 8.250 nan 0.000 0.439 50 E N 0.456 120.685 120.200 0.047 0.000 2.160 50 E HA -0.170 4.180 4.350 0.000 0.000 0.195 50 E C 1.759 178.400 176.600 0.068 0.000 0.991 50 E CA 1.078 57.511 56.400 0.054 0.000 0.810 50 E CB -0.027 29.706 29.700 0.056 0.000 0.742 50 E HN 0.342 nan 8.360 nan 0.000 0.466 51 L N -0.527 120.749 121.223 0.089 0.000 2.599 51 L HA 0.106 4.446 4.340 0.000 0.000 0.230 51 L C 1.294 178.197 176.870 0.055 0.000 1.141 51 L CA 0.345 55.237 54.840 0.086 0.000 0.877 51 L CB 0.067 42.204 42.059 0.130 0.000 1.009 51 L HN 0.311 nan 8.230 nan 0.000 0.447 52 G N 0.066 108.895 108.800 0.049 0.000 2.141 52 G HA2 -0.283 3.677 3.960 0.000 0.000 0.242 52 G HA3 -0.283 3.677 3.960 0.000 0.000 0.242 52 G C 0.297 175.218 174.900 0.034 0.000 0.982 52 G CA -0.168 44.953 45.100 0.035 0.000 0.662 52 G HN 0.484 nan 8.290 nan 0.000 0.527 53 Q N 0.459 120.285 119.800 0.043 0.000 2.928 53 Q HA 0.227 4.567 4.340 0.000 0.000 0.353 53 Q C -2.561 173.464 176.000 0.041 0.000 0.870 53 Q CA -1.597 54.228 55.803 0.038 0.000 0.963 53 Q CB 2.045 30.807 28.738 0.040 0.000 1.419 53 Q HN 0.405 nan 8.270 nan 0.000 0.396 54 P HA -0.017 nan 4.420 nan 0.000 0.269 54 P C -0.632 176.684 177.300 0.028 0.000 1.209 54 P CA 0.206 63.325 63.100 0.033 0.000 0.776 54 P CB 0.966 32.683 31.700 0.029 0.000 0.876 55 D N 2.556 122.972 120.400 0.027 0.000 2.481 55 D HA 0.152 4.792 4.640 0.000 0.000 0.246 55 D C 0.334 176.647 176.300 0.022 0.000 1.109 55 D CA -0.493 53.520 54.000 0.021 0.000 0.845 55 D CB 0.935 41.746 40.800 0.019 0.000 1.160 55 D HN 0.108 nan 8.370 nan 0.000 0.534 56 R N 1.892 122.405 120.500 0.021 0.000 2.427 56 R HA 0.061 4.401 4.340 0.000 0.000 0.262 56 R C 1.475 177.792 176.300 0.028 0.000 0.943 56 R CA 0.025 56.140 56.100 0.026 0.000 1.081 56 R CB 0.188 30.503 30.300 0.026 0.000 1.166 56 R HN 0.426 nan 8.270 nan 0.000 0.534 57 S N 0.311 116.023 115.700 0.020 0.000 2.474 57 S HA -0.025 4.445 4.470 0.000 0.000 0.235 57 S C 1.089 175.706 174.600 0.028 0.000 0.997 57 S CA 0.635 58.845 58.200 0.016 0.000 0.949 57 S CB -0.027 63.172 63.200 -0.002 0.000 0.766 57 S HN 0.221 nan 8.310 nan 0.000 0.517 58 N N 1.178 119.903 118.700 0.042 0.000 2.230 58 N HA 0.118 4.858 4.740 0.000 0.000 0.202 58 N C -0.003 175.586 175.510 0.131 0.000 1.119 58 N CA 0.219 53.321 53.050 0.087 0.000 0.851 58 N CB 0.134 38.663 38.487 0.070 0.000 0.990 58 N HN 0.344 nan 8.380 nan 0.000 0.497 59 D N 1.836 122.289 120.400 0.088 0.000 2.106 59 D HA -0.160 4.480 4.640 0.000 0.000 0.191 59 D C 1.250 177.603 176.300 0.089 0.000 0.997 59 D CA 1.332 55.379 54.000 0.077 0.000 0.834 59 D CB -0.027 40.808 40.800 0.058 0.000 0.956 59 D HN 0.199 nan 8.370 nan 0.000 0.448 60 D N -0.481 119.978 120.400 0.099 0.000 2.117 60 D HA -0.129 4.511 4.640 0.000 0.000 0.198 60 D C 1.940 178.301 176.300 0.103 0.000 0.982 60 D CA 0.303 54.357 54.000 0.091 0.000 0.828 60 D CB -0.469 40.383 40.800 0.086 0.000 0.967 60 D HN 0.180 nan 8.370 nan 0.000 0.464 61 F N 1.631 121.591 119.950 0.017 0.000 2.126 61 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 61 F C 2.192 178.001 175.800 0.016 0.000 1.096 61 F CA 1.089 59.098 58.000 0.014 0.000 1.255 61 F CB -0.174 38.832 39.000 0.011 0.000 0.997 61 F HN -0.225 nan 8.300 nan 0.000 0.479 62 V N 0.643 120.609 119.914 0.087 0.000 2.358 62 V HA -0.295 3.826 4.120 0.000 0.000 0.246 62 V C 2.464 178.516 176.094 -0.069 0.000 1.047 62 V CA 1.879 64.175 62.300 -0.006 0.000 1.035 62 V CB -0.685 31.176 31.823 0.063 0.000 0.658 62 V HN 0.364 nan 8.190 nan 0.000 0.452 63 L N -0.530 120.678 121.223 -0.026 0.000 2.046 63 L HA -0.257 4.083 4.340 0.000 0.000 0.208 63 L C 2.654 179.520 176.870 -0.007 0.000 1.077 63 L CA 1.802 56.632 54.840 -0.017 0.000 0.747 63 L CB -0.643 41.423 42.059 0.013 0.000 0.896 63 L HN 0.374 nan 8.230 nan 0.000 0.432 64 Q N -0.420 119.349 119.800 -0.051 0.000 2.172 64 Q HA -0.090 4.250 4.340 0.000 0.000 0.200 64 Q C 2.311 178.229 176.000 -0.135 0.000 0.964 64 Q CA 1.185 56.951 55.803 -0.061 0.000 0.855 64 Q CB -0.274 28.400 28.738 -0.106 0.000 0.918 64 Q HN 0.588 nan 8.270 nan 0.000 0.444 65 G N 0.872 109.505 108.800 -0.279 0.000 2.402 65 G HA2 -0.207 3.753 3.960 0.000 0.000 0.216 65 G HA3 -0.207 3.753 3.960 0.000 0.000 0.216 65 G C 1.384 176.231 174.900 -0.087 0.000 1.162 65 G CA 0.423 45.360 45.100 -0.272 0.000 0.777 65 G HN 0.157 nan 8.290 nan 0.000 0.539 66 L N -0.668 120.514 121.223 -0.068 0.000 2.017 66 L HA -0.033 4.307 4.340 0.000 0.000 0.208 66 L C 2.591 179.487 176.870 0.044 0.000 1.073 66 L CA 0.912 55.734 54.840 -0.031 0.000 0.745 66 L CB -0.466 41.556 42.059 -0.062 0.000 0.894 66 L HN 0.140 nan 8.230 nan 0.000 0.432 67 F N 1.098 120.978 119.950 -0.117 0.000 2.126 67 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 67 F C 2.460 178.213 175.800 -0.079 0.000 1.096 67 F CA 1.022 58.955 58.000 -0.112 0.000 1.255 67 F CB -0.720 38.203 39.000 -0.128 0.000 0.997 67 F HN 0.030 nan 8.300 nan 0.000 0.479 68 A N -0.710 122.168 122.820 0.096 0.000 2.076 68 A HA -0.188 4.132 4.320 0.000 0.000 0.220 68 A C 2.012 179.698 177.584 0.170 0.000 1.160 68 A CA 2.088 54.144 52.037 0.031 0.000 0.653 68 A CB -1.371 17.589 19.000 -0.068 0.000 0.801 68 A HN 0.480 nan 8.150 nan 0.000 0.455 69 T N -2.721 111.906 114.554 0.122 0.000 3.107 69 T HA 0.387 4.737 4.350 0.000 0.000 0.249 69 T C 0.575 175.252 174.700 -0.040 0.000 1.096 69 T CA -0.306 61.806 62.100 0.019 0.000 1.012 69 T CB -0.504 68.343 68.868 -0.036 0.000 0.977 69 T HN 0.277 nan 8.240 nan 0.000 0.527 70 I N 2.753 123.331 120.570 0.013 0.000 2.779 70 I HA 0.081 4.251 4.170 0.000 0.000 0.285 70 I C 0.596 176.667 176.117 -0.077 0.000 1.134 70 I CA -0.424 60.865 61.300 -0.018 0.000 1.398 70 I CB 0.698 38.743 38.000 0.075 0.000 1.404 70 I HN 0.124 nan 8.210 nan 0.000 0.587 71 T N 6.007 120.492 114.554 -0.115 0.000 2.905 71 T HA -0.057 4.293 4.350 0.000 0.000 0.299 71 T C 0.695 175.347 174.700 -0.081 0.000 1.024 71 T CA 0.272 62.286 62.100 -0.144 0.000 1.151 71 T CB -0.149 68.583 68.868 -0.226 0.000 0.987 71 T HN 0.713 nan 8.240 nan 0.000 0.535 72 N N 0.037 118.675 118.700 -0.104 0.000 2.782 72 N HA -0.232 4.508 4.740 0.000 0.000 0.251 72 N C 0.849 176.419 175.510 0.100 0.000 1.101 72 N CA 0.969 54.092 53.050 0.121 0.000 0.764 72 N CB -1.374 37.243 38.487 0.216 0.000 1.122 72 N HN 0.757 nan 8.380 nan 0.000 0.561 73 A N -0.461 122.302 122.820 -0.096 0.000 1.887 73 A HA 0.135 4.455 4.320 0.000 0.000 0.210 73 A C 0.915 178.469 177.584 -0.051 0.000 1.221 73 A CA 1.057 53.080 52.037 -0.024 0.000 0.635 73 A CB 0.342 19.332 19.000 -0.018 0.000 0.881 73 A HN 0.262 nan 8.150 nan 0.000 0.456 74 N N -1.995 116.590 118.700 -0.191 0.000 2.425 74 N HA 0.282 5.022 4.740 0.000 0.000 0.289 74 N C -1.459 174.012 175.510 -0.064 0.000 1.074 74 N CA -0.465 52.551 53.050 -0.056 0.000 0.905 74 N CB 1.099 39.512 38.487 -0.123 0.000 1.586 74 N HN 0.282 nan 8.380 nan 0.000 0.490 75 W N 0.348 121.784 121.300 0.226 0.000 3.008 75 W HA 0.277 4.937 4.660 -0.000 0.000 0.355 75 W C 0.267 176.851 176.519 0.108 0.000 1.095 75 W CA -0.384 57.071 57.345 0.183 0.000 1.738 75 W CB 0.656 30.209 29.460 0.154 0.000 1.091 75 W HN 0.389 nan 8.180 nan 0.000 0.574 76 D N 0.870 121.421 120.400 0.253 0.000 2.411 76 D HA 0.026 4.667 4.640 0.000 0.000 0.225 76 D C 0.957 177.355 176.300 0.163 0.000 1.156 76 D CA 0.294 54.363 54.000 0.115 0.000 0.874 76 D CB 0.810 41.614 40.800 0.007 0.000 1.034 76 D HN -0.107 nan 8.370 nan 0.000 0.502 77 D N 2.862 123.383 120.400 0.200 0.000 2.182 77 D HA -0.169 4.471 4.640 0.000 0.000 0.201 77 D C 1.790 178.204 176.300 0.190 0.000 0.986 77 D CA 1.184 55.334 54.000 0.251 0.000 0.847 77 D CB 0.019 40.913 40.800 0.158 0.000 0.942 77 D HN 0.556 nan 8.370 nan 0.000 0.467 78 A N 0.901 123.777 122.820 0.093 0.000 1.972 78 A HA -0.176 4.144 4.320 0.000 0.000 0.219 78 A C 2.151 179.748 177.584 0.021 0.000 1.169 78 A CA 1.034 53.108 52.037 0.060 0.000 0.635 78 A CB -0.199 18.814 19.000 0.022 0.000 0.810 78 A HN 0.039 nan 8.150 nan 0.000 0.446 79 R N -1.236 119.218 120.500 -0.078 0.000 2.081 79 R HA -0.089 4.251 4.340 0.000 0.000 0.235 79 R C 1.810 177.972 176.300 -0.230 0.000 1.131 79 R CA 1.386 57.353 56.100 -0.223 0.000 0.960 79 R CB -0.911 29.143 30.300 -0.410 0.000 0.856 79 R HN 0.598 nan 8.270 nan 0.000 0.436 80 F N 1.503 121.463 119.950 0.017 0.000 2.134 80 F HA -0.107 4.420 4.527 0.000 0.000 0.299 80 F C 2.405 178.256 175.800 0.086 0.000 1.097 80 F CA 1.169 59.183 58.000 0.023 0.000 1.264 80 F CB -0.480 38.521 39.000 0.002 0.000 1.001 80 F HN 0.090 nan 8.300 nan 0.000 0.479 81 E N 0.100 120.485 120.200 0.308 0.000 2.077 81 E HA -0.213 4.137 4.350 0.000 0.000 0.193 81 E C 2.431 179.239 176.600 0.347 0.000 0.989 81 E CA 1.074 57.719 56.400 0.410 0.000 0.800 81 E CB -0.380 29.523 29.700 0.339 0.000 0.746 81 E HN 0.373 nan 8.360 nan 0.000 0.452 82 A N 1.088 124.024 122.820 0.193 0.000 1.902 82 A HA -0.190 4.130 4.320 0.000 0.000 0.217 82 A C 2.164 179.855 177.584 0.178 0.000 1.181 82 A CA 1.405 53.532 52.037 0.150 0.000 0.623 82 A CB -0.425 18.616 19.000 0.069 0.000 0.818 82 A HN 0.140 nan 8.150 nan 0.000 0.443 83 M N -0.881 118.813 119.600 0.157 0.000 2.175 83 M HA -0.061 4.419 4.480 0.000 0.000 0.264 83 M C 2.079 178.558 176.300 0.297 0.000 1.063 83 M CA 1.336 56.775 55.300 0.232 0.000 1.119 83 M CB -0.490 32.154 32.600 0.073 0.000 1.377 83 M HN 0.399 nan 8.290 nan 0.000 0.415 84 I N -0.507 120.179 120.570 0.194 0.000 2.179 84 I HA -0.271 3.899 4.170 0.000 0.000 0.242 84 I C 2.482 178.690 176.117 0.152 0.000 1.088 84 I CA 1.164 62.510 61.300 0.076 0.000 1.357 84 I CB -0.393 37.430 38.000 -0.295 0.000 1.051 84 I HN 0.202 nan 8.210 nan 0.000 0.409 85 S N 0.034 115.905 115.700 0.284 0.000 2.356 85 S HA -0.264 4.206 4.470 0.000 0.000 0.223 85 S C 1.972 176.656 174.600 0.140 0.000 1.032 85 S CA 1.679 60.051 58.200 0.286 0.000 1.005 85 S CB -0.327 63.045 63.200 0.286 0.000 0.867 85 S HN 0.485 nan 8.310 nan 0.000 0.449 86 E N 0.748 121.020 120.200 0.120 0.000 2.110 86 E HA -0.117 4.233 4.350 0.000 0.000 0.193 86 E C 2.178 178.667 176.600 -0.184 0.000 0.988 86 E CA 1.109 57.501 56.400 -0.014 0.000 0.804 86 E CB -0.475 29.246 29.700 0.035 0.000 0.745 86 E HN 0.501 nan 8.360 nan 0.000 0.458 87 G N 1.171 109.950 108.800 -0.035 0.000 2.422 87 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 87 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 87 G C 1.571 176.451 174.900 -0.033 0.000 1.146 87 G CA 0.698 45.758 45.100 -0.067 0.000 0.769 87 G HN 0.216 nan 8.290 nan 0.000 0.547 88 L N 0.575 121.821 121.223 0.038 0.000 2.046 88 L HA -0.073 4.267 4.340 0.000 0.000 0.208 88 L C 3.401 180.259 176.870 -0.020 0.000 1.077 88 L CA 1.061 55.924 54.840 0.040 0.000 0.747 88 L CB -0.343 41.766 42.059 0.083 0.000 0.896 88 L HN 0.317 nan 8.230 nan 0.000 0.432 89 A N 0.025 122.818 122.820 -0.046 0.000 1.898 89 A HA -0.188 4.133 4.320 0.000 0.000 0.216 89 A C 2.363 179.881 177.584 -0.109 0.000 1.181 89 A CA 1.352 53.346 52.037 -0.072 0.000 0.620 89 A CB -0.421 18.538 19.000 -0.067 0.000 0.819 89 A HN 0.304 nan 8.150 nan 0.000 0.442 90 R N -0.925 119.471 120.500 -0.173 0.000 2.081 90 R HA -0.112 4.228 4.340 0.000 0.000 0.235 90 R C 2.537 178.767 176.300 -0.116 0.000 1.131 90 R CA 1.500 57.486 56.100 -0.191 0.000 0.960 90 R CB -0.338 29.748 30.300 -0.356 0.000 0.856 90 R HN 0.560 nan 8.270 nan 0.000 0.436 91 R N 0.969 121.423 120.500 -0.077 0.000 2.083 91 R HA -0.166 4.174 4.340 0.000 0.000 0.237 91 R C 1.134 177.379 176.300 -0.092 0.000 1.137 91 R CA 2.092 58.183 56.100 -0.014 0.000 0.951 91 R CB -0.132 30.198 30.300 0.050 0.000 0.851 91 R HN 0.136 nan 8.270 nan 0.000 0.434 92 D N 0.267 120.608 120.400 -0.097 0.000 2.178 92 D HA -0.109 4.531 4.640 0.000 0.000 0.202 92 D C 1.744 177.949 176.300 -0.159 0.000 0.974 92 D CA 1.105 55.022 54.000 -0.138 0.000 0.841 92 D CB -0.013 40.734 40.800 -0.088 0.000 0.953 92 D HN 0.266 nan 8.370 nan 0.000 0.478 93 K N 0.119 120.445 120.400 -0.123 0.000 2.026 93 K HA -0.063 4.257 4.320 0.000 0.000 0.208 93 K C 2.233 178.760 176.600 -0.122 0.000 1.048 93 K CA 0.639 56.862 56.287 -0.107 0.000 0.929 93 K CB -0.154 32.295 32.500 -0.085 0.000 0.713 93 K HN 0.159 nan 8.250 nan 0.000 0.439 94 L N 0.481 121.625 121.223 -0.133 0.000 2.046 94 L HA -0.192 4.148 4.340 0.000 0.000 0.208 94 L C 2.755 179.471 176.870 -0.256 0.000 1.077 94 L CA 1.202 55.971 54.840 -0.119 0.000 0.747 94 L CB -0.442 41.593 42.059 -0.039 0.000 0.896 94 L HN 0.233 nan 8.230 nan 0.000 0.432 95 R N 0.439 120.579 120.500 -0.601 0.000 2.083 95 R HA -0.196 4.144 4.340 0.000 0.000 0.237 95 R C 2.075 178.186 176.300 -0.314 0.000 1.137 95 R CA 1.974 57.530 56.100 -0.907 0.000 0.951 95 R CB -0.165 29.517 30.300 -1.030 0.000 0.851 95 R HN 0.394 nan 8.270 nan 0.000 0.434 96 N N 0.510 119.082 118.700 -0.214 0.000 2.166 96 N HA -0.130 4.610 4.740 0.000 0.000 0.186 96 N C 1.598 177.056 175.510 -0.087 0.000 1.019 96 N CA 1.473 54.449 53.050 -0.122 0.000 0.856 96 N CB -0.375 38.054 38.487 -0.096 0.000 0.993 96 N HN 0.357 nan 8.380 nan 0.000 0.426 97 A N 0.723 123.503 122.820 -0.067 0.000 1.898 97 A HA -0.120 4.200 4.320 0.000 0.000 0.216 97 A C 2.093 179.679 177.584 0.003 0.000 1.181 97 A CA 0.934 52.956 52.037 -0.025 0.000 0.620 97 A CB -0.930 18.066 19.000 -0.007 0.000 0.819 97 A HN 0.290 nan 8.150 nan 0.000 0.442 98 F N 0.882 120.769 119.950 -0.105 0.000 2.095 98 F HA -0.155 4.371 4.527 -0.000 0.000 0.298 98 F C 1.841 177.617 175.800 -0.041 0.000 1.104 98 F CA 1.716 59.675 58.000 -0.068 0.000 1.232 98 F CB -0.491 38.458 39.000 -0.085 0.000 0.987 98 F HN 0.139 nan 8.300 nan 0.000 0.475 99 L N 0.121 121.090 121.223 -0.424 0.000 2.042 99 L HA -0.228 4.112 4.340 0.000 0.000 0.210 99 L C 2.816 179.543 176.870 -0.237 0.000 1.076 99 L CA 1.304 55.892 54.840 -0.422 0.000 0.749 99 L CB -1.297 40.663 42.059 -0.164 0.000 0.893 99 L HN 0.306 nan 8.230 nan 0.000 0.432 100 A N -0.500 122.230 122.820 -0.150 0.000 1.898 100 A HA -0.106 4.214 4.320 0.000 0.000 0.216 100 A C 2.317 179.856 177.584 -0.075 0.000 1.181 100 A CA 1.495 53.484 52.037 -0.081 0.000 0.620 100 A CB -0.691 18.276 19.000 -0.055 0.000 0.819 100 A HN 0.179 nan 8.150 nan 0.000 0.442 101 V N -1.376 118.485 119.914 -0.088 0.000 2.358 101 V HA -0.260 3.860 4.120 0.000 0.000 0.246 101 V C 2.352 178.402 176.094 -0.075 0.000 1.047 101 V CA 2.024 64.291 62.300 -0.055 0.000 1.035 101 V CB -1.037 30.785 31.823 -0.001 0.000 0.658 101 V HN 0.707 nan 8.190 nan 0.000 0.452 102 Y N 1.338 121.455 120.300 -0.306 0.000 2.165 102 Y HA -0.279 4.271 4.550 0.000 0.000 0.286 102 Y C 2.638 178.464 175.900 -0.124 0.000 1.155 102 Y CA 2.362 60.306 58.100 -0.260 0.000 1.164 102 Y CB -0.188 37.936 38.460 -0.560 0.000 0.978 102 Y HN 0.160 nan 8.280 nan 0.000 0.513 103 K N -0.008 120.432 120.400 0.066 0.000 2.057 103 K HA -0.160 4.160 4.320 0.000 0.000 0.207 103 K C 2.229 178.801 176.600 -0.048 0.000 1.049 103 K CA 1.201 57.518 56.287 0.049 0.000 0.931 103 K CB -0.404 32.128 32.500 0.054 0.000 0.714 103 K HN 0.382 nan 8.250 nan 0.000 0.440 104 A N 1.356 124.141 122.820 -0.058 0.000 1.933 104 A HA -0.124 4.196 4.320 0.000 0.000 0.218 104 A C 1.806 179.339 177.584 -0.085 0.000 1.175 104 A CA 1.381 53.383 52.037 -0.058 0.000 0.628 104 A CB -0.227 18.746 19.000 -0.044 0.000 0.814 104 A HN 0.173 nan 8.150 nan 0.000 0.444 105 K N -0.134 120.186 120.400 -0.133 0.000 2.305 105 K HA 0.071 4.391 4.320 0.000 0.000 0.199 105 K C 0.814 177.296 176.600 -0.197 0.000 1.047 105 K CA 0.708 56.906 56.287 -0.149 0.000 0.976 105 K CB -0.170 32.238 32.500 -0.152 0.000 0.765 105 K HN 0.522 nan 8.250 nan 0.000 0.474 106 N N -0.461 118.071 118.700 -0.281 0.000 2.227 106 N HA 0.012 4.752 4.740 0.000 0.000 0.196 106 N C 0.588 176.022 175.510 -0.127 0.000 1.142 106 N CA 0.734 53.619 53.050 -0.274 0.000 0.887 106 N CB 1.321 39.463 38.487 -0.575 0.000 1.022 106 N HN 0.238 nan 8.380 nan 0.000 0.500 107 G N 2.378 111.126 108.800 -0.087 0.000 2.160 107 G HA2 -0.300 3.660 3.960 0.000 0.000 0.251 107 G HA3 -0.300 3.660 3.960 0.000 0.000 0.251 107 G C -0.072 174.830 174.900 0.002 0.000 1.008 107 G CA 1.157 46.237 45.100 -0.033 0.000 0.724 107 G HN 0.561 nan 8.290 nan 0.000 0.514 108 K N -1.321 119.100 120.400 0.035 0.000 2.607 108 K HA 0.531 4.851 4.320 0.000 0.000 0.287 108 K C -1.614 175.101 176.600 0.192 0.000 0.996 108 K CA -1.218 55.125 56.287 0.092 0.000 0.876 108 K CB 0.942 33.499 32.500 0.095 0.000 1.496 108 K HN -0.121 nan 8.250 nan 0.000 0.415 109 D N 1.136 121.626 120.400 0.149 0.000 2.414 109 D HA 0.082 4.722 4.640 0.000 0.000 0.242 109 D C -0.605 175.803 176.300 0.181 0.000 1.129 109 D CA 0.007 54.098 54.000 0.151 0.000 0.885 109 D CB 0.250 41.090 40.800 0.067 0.000 1.198 109 D HN 0.374 nan 8.370 nan 0.000 0.437 110 F N 1.646 121.514 119.950 -0.137 0.000 2.578 110 F HA 0.082 4.609 4.527 0.000 0.000 0.376 110 F C 1.218 176.899 175.800 -0.198 0.000 1.085 110 F CA 0.156 57.831 58.000 -0.542 0.000 1.260 110 F CB 0.481 39.048 39.000 -0.721 0.000 1.095 110 F HN 0.221 nan 8.300 nan 0.000 0.573 111 S N 2.212 117.393 115.700 -0.866 0.000 2.893 111 S HA 0.260 4.730 4.470 0.000 0.000 0.258 111 S C -0.247 173.965 174.600 -0.645 0.000 1.034 111 S CA -0.649 57.206 58.200 -0.574 0.000 1.167 111 S CB -0.565 62.489 63.200 -0.242 0.000 1.137 111 S HN 0.678 nan 8.310 nan 0.000 0.650 112 E N 3.103 122.648 120.200 -1.092 0.000 2.360 112 E HA 0.313 4.663 4.350 0.000 0.000 0.269 112 E C -2.603 173.812 176.600 -0.308 0.000 1.022 112 E CA -1.846 54.225 56.400 -0.547 0.000 0.887 112 E CB 0.170 29.659 29.700 -0.352 0.000 0.990 112 E HN 0.254 nan 8.360 nan 0.000 0.426 113 P HA 0.029 nan 4.420 nan 0.000 0.268 113 P C -0.836 176.487 177.300 0.039 0.000 1.205 113 P CA 0.380 63.465 63.100 -0.024 0.000 0.771 113 P CB 0.493 32.182 31.700 -0.018 0.000 0.858 114 L N 4.343 125.609 121.223 0.072 0.000 2.341 114 L HA 0.531 4.871 4.340 0.000 0.000 0.267 114 L C -2.005 174.876 176.870 0.018 0.000 1.009 114 L CA -2.329 52.541 54.840 0.051 0.000 0.819 114 L CB 1.427 43.527 42.059 0.069 0.000 1.323 114 L HN 0.236 nan 8.230 nan 0.000 0.425 115 P HA 0.003 nan 4.420 nan 0.000 0.268 115 P C 0.359 177.661 177.300 0.004 0.000 1.208 115 P CA -0.198 62.893 63.100 -0.015 0.000 0.777 115 P CB 0.629 32.291 31.700 -0.063 0.000 0.875 116 E N 1.476 121.723 120.200 0.079 0.000 2.209 116 E HA -0.235 4.115 4.350 0.000 0.000 0.196 116 E C 1.698 178.336 176.600 0.062 0.000 0.993 116 E CA 1.172 57.679 56.400 0.178 0.000 0.819 116 E CB -0.324 29.554 29.700 0.297 0.000 0.745 116 E HN 0.519 nan 8.360 nan 0.000 0.477 117 A N 0.874 123.519 122.820 -0.292 0.000 2.024 117 A HA -0.130 4.190 4.320 0.000 0.000 0.220 117 A C 2.292 179.624 177.584 -0.421 0.000 1.164 117 A CA 1.669 53.136 52.037 -0.950 0.000 0.643 117 A CB -0.578 17.939 19.000 -0.806 0.000 0.806 117 A HN 0.407 nan 8.150 nan 0.000 0.451 118 A N -1.125 121.568 122.820 -0.211 0.000 2.123 118 A HA 0.146 4.466 4.320 0.000 0.000 0.214 118 A C 2.056 179.721 177.584 0.136 0.000 1.152 118 A CA 2.007 53.983 52.037 -0.102 0.000 0.728 118 A CB -0.436 18.388 19.000 -0.294 0.000 0.814 118 A HN 0.769 nan 8.150 nan 0.000 0.464 119 T N -6.526 108.106 114.554 0.131 0.000 2.980 119 T HA 0.088 4.438 4.350 0.000 0.000 0.252 119 T C 0.290 175.108 174.700 0.196 0.000 0.962 119 T CA -0.192 62.011 62.100 0.172 0.000 0.932 119 T CB -0.510 68.456 68.868 0.163 0.000 1.188 119 T HN 0.376 nan 8.240 nan 0.000 0.500 120 W N 3.080 124.450 121.300 0.118 0.000 2.193 120 W HA 0.521 5.180 4.660 -0.000 0.000 0.338 120 W C -0.124 176.490 176.519 0.159 0.000 1.310 120 W CA 0.825 58.274 57.345 0.173 0.000 1.243 120 W CB 0.537 30.186 29.460 0.315 0.000 1.165 120 W HN 0.170 nan 8.180 nan 0.000 0.566 121 T N 3.622 117.532 114.554 -1.074 0.000 2.843 121 T HA 0.749 5.099 4.350 0.000 0.000 0.302 121 T C -0.624 173.201 174.700 -1.458 0.000 1.232 121 T CA -0.059 61.394 62.100 -1.078 0.000 1.009 121 T CB 1.040 69.668 68.868 -0.400 0.000 1.254 121 T HN 1.026 nan 8.240 nan 0.000 0.504 122 G N 1.804 110.086 108.800 -0.863 0.000 2.466 122 G HA2 0.508 4.468 3.960 0.000 0.000 0.291 122 G HA3 0.508 4.468 3.960 0.000 0.000 0.291 122 G C -1.586 173.286 174.900 -0.048 0.000 1.460 122 G CA -0.359 44.520 45.100 -0.368 0.000 0.791 122 G HN 0.879 nan 8.290 nan 0.000 0.505 123 D N -1.186 119.163 120.400 -0.085 0.000 2.447 123 D HA 0.369 5.009 4.640 0.000 0.000 0.265 123 D C 1.849 177.817 176.300 -0.554 0.000 1.250 123 D CA 0.322 54.214 54.000 -0.180 0.000 1.046 123 D CB 0.736 41.450 40.800 -0.142 0.000 1.095 123 D HN 0.613 nan 8.370 nan 0.000 0.555 124 S N -1.528 113.708 115.700 -0.773 0.000 2.442 124 S HA -0.219 4.251 4.470 0.000 0.000 0.236 124 S C 1.834 176.011 174.600 -0.704 0.000 1.007 124 S CA 1.526 58.910 58.200 -1.361 0.000 0.965 124 S CB -1.470 61.323 63.200 -0.678 0.000 0.773 124 S HN 0.739 nan 8.310 nan 0.000 0.504 125 T N -0.616 113.739 114.554 -0.332 0.000 2.915 125 T HA 0.191 4.541 4.350 0.000 0.000 0.269 125 T C 1.737 176.419 174.700 -0.031 0.000 1.071 125 T CA 0.914 62.936 62.100 -0.131 0.000 1.132 125 T CB -0.578 68.246 68.868 -0.074 0.000 0.878 125 T HN 0.563 nan 8.240 nan 0.000 0.479 126 A N -0.141 122.688 122.820 0.014 0.000 2.178 126 A HA 0.390 4.710 4.320 0.000 0.000 0.211 126 A C 1.717 179.552 177.584 0.419 0.000 1.157 126 A CA -0.085 52.093 52.037 0.236 0.000 0.780 126 A CB -0.699 18.511 19.000 0.348 0.000 0.828 126 A HN 0.432 nan 8.150 nan 0.000 0.476 127 F N 0.503 120.568 119.950 0.191 0.000 2.102 127 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 127 F C 2.775 178.589 175.800 0.023 0.000 1.105 127 F CA 0.457 58.543 58.000 0.143 0.000 1.239 127 F CB -1.357 37.726 39.000 0.138 0.000 0.991 127 F HN 0.296 nan 8.300 nan 0.000 0.474 128 A N -0.346 122.604 122.820 0.217 0.000 1.902 128 A HA -0.225 4.095 4.320 0.000 0.000 0.217 128 A C 2.163 179.763 177.584 0.028 0.000 1.181 128 A CA 1.999 54.091 52.037 0.092 0.000 0.623 128 A CB -0.717 18.324 19.000 0.068 0.000 0.818 128 A HN 0.311 nan 8.150 nan 0.000 0.443 129 E N -0.155 120.069 120.200 0.039 0.000 2.072 129 E HA -0.128 4.222 4.350 0.000 0.000 0.190 129 E C 1.995 178.549 176.600 -0.077 0.000 0.982 129 E CA 1.517 57.914 56.400 -0.005 0.000 0.803 129 E CB -0.153 29.562 29.700 0.025 0.000 0.755 129 E HN 0.404 nan 8.360 nan 0.000 0.453 130 K N 0.440 120.779 120.400 -0.102 0.000 2.097 130 K HA -0.008 4.312 4.320 0.000 0.000 0.206 130 K C 1.841 178.186 176.600 -0.424 0.000 1.049 130 K CA 1.493 57.570 56.287 -0.349 0.000 0.933 130 K CB -0.720 31.376 32.500 -0.673 0.000 0.717 130 K HN 0.148 nan 8.250 nan 0.000 0.442 131 A N 0.945 123.586 122.820 -0.299 0.000 1.986 131 A HA -0.221 4.100 4.320 0.000 0.000 0.220 131 A C 1.878 179.316 177.584 -0.244 0.000 1.171 131 A CA 1.938 53.803 52.037 -0.287 0.000 0.640 131 A CB -0.489 18.411 19.000 -0.166 0.000 0.811 131 A HN 0.416 nan 8.150 nan 0.000 0.451 132 K N 0.138 120.427 120.400 -0.184 0.000 2.209 132 K HA -0.102 4.218 4.320 0.000 0.000 0.204 132 K C 1.824 178.324 176.600 -0.167 0.000 1.048 132 K CA 1.533 57.734 56.287 -0.142 0.000 0.940 132 K CB -0.125 32.316 32.500 -0.099 0.000 0.729 132 K HN 0.671 nan 8.250 nan 0.000 0.451 133 S N -0.442 115.121 115.700 -0.229 0.000 2.539 133 S HA 0.037 4.507 4.470 0.000 0.000 0.221 133 S C 1.165 175.597 174.600 -0.279 0.000 0.987 133 S CA -0.160 57.906 58.200 -0.224 0.000 0.929 133 S CB 0.434 63.508 63.200 -0.209 0.000 0.832 133 S HN 0.104 nan 8.310 nan 0.000 0.492 134 V N -1.643 118.052 119.914 -0.365 0.000 3.176 134 V HA 0.658 4.778 4.120 0.000 0.000 0.332 134 V C 0.823 176.779 176.094 -0.230 0.000 1.414 134 V CA -0.105 61.951 62.300 -0.406 0.000 1.133 134 V CB -0.393 30.878 31.823 -0.919 0.000 1.088 134 V HN 0.337 nan 8.190 nan 0.000 0.473 135 G N 0.231 108.924 108.800 -0.178 0.000 2.510 135 G HA2 0.443 4.403 3.960 0.000 0.000 0.280 135 G HA3 0.443 4.403 3.960 0.000 0.000 0.280 135 G C 0.702 175.545 174.900 -0.094 0.000 1.386 135 G CA -0.395 44.636 45.100 -0.116 0.000 1.047 135 G HN 0.203 nan 8.290 nan 0.000 0.527 136 I N -0.304 120.222 120.570 -0.074 0.000 2.286 136 I HA -0.130 4.040 4.170 0.000 0.000 0.248 136 I C 2.368 178.371 176.117 -0.189 0.000 1.115 136 I CA 0.916 62.156 61.300 -0.100 0.000 1.392 136 I CB -0.114 37.839 38.000 -0.078 0.000 1.065 136 I HN 0.226 nan 8.210 nan 0.000 0.418 137 L N 0.441 121.506 121.223 -0.262 0.000 2.551 137 L HA -0.039 4.301 4.340 0.000 0.000 0.228 137 L C 2.608 179.370 176.870 -0.180 0.000 1.153 137 L CA 0.342 55.001 54.840 -0.302 0.000 0.851 137 L CB -0.657 41.181 42.059 -0.368 0.000 0.959 137 L HN 0.216 nan 8.230 nan 0.000 0.451 138 A N -0.586 122.153 122.820 -0.136 0.000 2.125 138 A HA -0.076 4.244 4.320 0.000 0.000 0.219 138 A C 1.233 178.772 177.584 -0.074 0.000 1.156 138 A CA 0.970 52.948 52.037 -0.099 0.000 0.671 138 A CB -0.523 18.425 19.000 -0.088 0.000 0.794 138 A HN 0.294 nan 8.150 nan 0.000 0.459 139 T N 1.183 115.692 114.554 -0.074 0.000 2.723 139 T HA 0.222 4.572 4.350 0.000 0.000 0.297 139 T C 0.710 175.373 174.700 -0.062 0.000 0.925 139 T CA -0.306 61.765 62.100 -0.049 0.000 1.030 139 T CB 1.063 69.915 68.868 -0.027 0.000 0.905 139 T HN 0.349 nan 8.240 nan 0.000 0.502 140 E N 2.129 122.299 120.200 -0.050 0.000 2.158 140 E HA -0.048 4.302 4.350 0.000 0.000 0.191 140 E C 0.981 177.560 176.600 -0.035 0.000 0.982 140 E CA 0.336 56.705 56.400 -0.052 0.000 0.823 140 E CB 0.112 29.786 29.700 -0.042 0.000 0.766 140 E HN 0.453 nan 8.360 nan 0.000 0.468 141 N N 2.489 121.177 118.700 -0.019 0.000 2.431 141 N HA -0.079 4.661 4.740 0.000 0.000 0.265 141 N C 1.004 176.518 175.510 0.007 0.000 1.184 141 N CA 0.215 53.263 53.050 -0.005 0.000 0.943 141 N CB 0.966 39.454 38.487 0.001 0.000 1.080 141 N HN 0.162 nan 8.380 nan 0.000 0.477 142 E N 2.759 122.967 120.200 0.013 0.000 2.153 142 E HA -0.212 4.138 4.350 0.000 0.000 0.194 142 E C -0.083 176.551 176.600 0.057 0.000 0.988 142 E CA 1.136 57.557 56.400 0.035 0.000 0.811 142 E CB 0.068 29.789 29.700 0.035 0.000 0.746 142 E HN 0.507 nan 8.360 nan 0.000 0.466 143 D N 0.860 121.286 120.400 0.042 0.000 2.162 143 D HA -0.063 4.577 4.640 0.000 0.000 0.203 143 D C 2.233 178.563 176.300 0.050 0.000 0.967 143 D CA 0.908 54.936 54.000 0.047 0.000 0.840 143 D CB -0.002 40.818 40.800 0.033 0.000 0.972 143 D HN 0.119 nan 8.370 nan 0.000 0.482 144 V N 1.123 121.060 119.914 0.039 0.000 2.343 144 V HA -0.214 3.906 4.120 0.000 0.000 0.247 144 V C 2.581 178.707 176.094 0.052 0.000 1.051 144 V CA 1.507 63.829 62.300 0.037 0.000 1.036 144 V CB -0.421 31.414 31.823 0.021 0.000 0.654 144 V HN 0.100 nan 8.190 nan 0.000 0.451 145 R N 0.047 120.583 120.500 0.061 0.000 2.083 145 R HA -0.206 4.134 4.340 0.000 0.000 0.237 145 R C 2.635 179.037 176.300 0.170 0.000 1.137 145 R CA 1.995 58.154 56.100 0.098 0.000 0.951 145 R CB -0.502 29.848 30.300 0.083 0.000 0.851 145 R HN 0.481 nan 8.270 nan 0.000 0.434 146 S N 0.031 115.828 115.700 0.163 0.000 2.368 146 S HA -0.086 4.384 4.470 0.000 0.000 0.225 146 S C 1.915 176.588 174.600 0.122 0.000 1.030 146 S CA 1.198 59.500 58.200 0.169 0.000 0.999 146 S CB -0.143 63.131 63.200 0.123 0.000 0.844 146 S HN 0.383 nan 8.310 nan 0.000 0.459 147 L N 0.481 121.757 121.223 0.087 0.000 2.109 147 L HA 0.057 4.397 4.340 0.000 0.000 0.207 147 L C 2.912 179.812 176.870 0.050 0.000 1.086 147 L CA 0.936 55.816 54.840 0.066 0.000 0.760 147 L CB -0.336 41.757 42.059 0.056 0.000 0.910 147 L HN 0.239 nan 8.230 nan 0.000 0.437 148 R N -0.358 120.172 120.500 0.050 0.000 2.066 148 R HA -0.117 4.223 4.340 0.000 0.000 0.232 148 R C 2.209 178.521 176.300 0.020 0.000 1.131 148 R CA 1.013 57.129 56.100 0.027 0.000 0.955 148 R CB -0.121 30.194 30.300 0.026 0.000 0.851 148 R HN 0.267 nan 8.270 nan 0.000 0.432 149 E N 0.817 121.055 120.200 0.063 0.000 2.107 149 E HA -0.146 4.204 4.350 0.000 0.000 0.191 149 E C 1.983 178.511 176.600 -0.120 0.000 0.982 149 E CA 0.615 57.040 56.400 0.042 0.000 0.809 149 E CB -0.283 29.578 29.700 0.268 0.000 0.756 149 E HN 0.125 nan 8.360 nan 0.000 0.459 150 L N 1.141 122.318 121.223 -0.077 0.000 2.042 150 L HA -0.166 4.174 4.340 0.000 0.000 0.210 150 L C 2.271 179.083 176.870 -0.096 0.000 1.076 150 L CA 1.346 56.123 54.840 -0.105 0.000 0.749 150 L CB -0.765 41.329 42.059 0.059 0.000 0.893 150 L HN 0.130 nan 8.230 nan 0.000 0.432 151 L N -0.474 120.724 121.223 -0.040 0.000 2.017 151 L HA -0.187 4.153 4.340 0.000 0.000 0.208 151 L C 2.368 179.197 176.870 -0.067 0.000 1.073 151 L CA 1.976 56.800 54.840 -0.026 0.000 0.745 151 L CB -0.558 41.497 42.059 -0.007 0.000 0.894 151 L HN 0.316 nan 8.230 nan 0.000 0.432 152 I N -0.928 119.588 120.570 -0.090 0.000 2.286 152 I HA -0.307 3.863 4.170 0.000 0.000 0.248 152 I C 2.392 178.427 176.117 -0.136 0.000 1.115 152 I CA 1.381 62.618 61.300 -0.105 0.000 1.392 152 I CB -0.243 37.706 38.000 -0.084 0.000 1.065 152 I HN 0.266 nan 8.210 nan 0.000 0.418 153 I N 0.561 121.011 120.570 -0.200 0.000 2.202 153 I HA -0.202 3.968 4.170 0.000 0.000 0.242 153 I C 2.685 178.692 176.117 -0.184 0.000 1.091 153 I CA 1.671 62.816 61.300 -0.259 0.000 1.368 153 I CB -0.833 36.846 38.000 -0.535 0.000 1.058 153 I HN 0.246 nan 8.210 nan 0.000 0.410 154 G N 0.812 109.526 108.800 -0.143 0.000 2.440 154 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 154 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 154 G C 1.669 176.527 174.900 -0.069 0.000 1.154 154 G CA 0.598 45.649 45.100 -0.082 0.000 0.767 154 G HN 0.248 nan 8.290 nan 0.000 0.552 155 L N 1.404 122.593 121.223 -0.057 0.000 2.046 155 L HA -0.025 4.315 4.340 0.000 0.000 0.208 155 L C 2.966 179.775 176.870 -0.101 0.000 1.077 155 L CA 2.543 57.356 54.840 -0.045 0.000 0.747 155 L CB -0.352 41.662 42.059 -0.076 0.000 0.896 155 L HN 0.465 nan 8.230 nan 0.000 0.432 156 K N -1.674 118.645 120.400 -0.134 0.000 2.217 156 K HA -0.004 4.316 4.320 0.000 0.000 0.202 156 K C 1.945 178.382 176.600 -0.271 0.000 1.051 156 K CA 1.208 57.394 56.287 -0.169 0.000 0.952 156 K CB -0.864 31.554 32.500 -0.135 0.000 0.736 156 K HN 0.296 nan 8.250 nan 0.000 0.453 157 G N 1.595 110.232 108.800 -0.271 0.000 2.402 157 G HA2 -0.183 3.777 3.960 0.000 0.000 0.216 157 G HA3 -0.183 3.777 3.960 0.000 0.000 0.216 157 G C 1.561 176.160 174.900 -0.502 0.000 1.162 157 G CA 0.796 45.643 45.100 -0.422 0.000 0.777 157 G HN 0.154 nan 8.290 nan 0.000 0.539 158 V N 1.625 121.395 119.914 -0.239 0.000 2.332 158 V HA -0.160 3.960 4.120 0.000 0.000 0.248 158 V C 3.329 179.341 176.094 -0.137 0.000 1.055 158 V CA 2.032 64.269 62.300 -0.104 0.000 1.038 158 V CB -0.840 30.984 31.823 0.002 0.000 0.651 158 V HN 0.476 nan 8.190 nan 0.000 0.450 159 A N -0.087 122.622 122.820 -0.186 0.000 1.933 159 A HA -0.116 4.204 4.320 0.000 0.000 0.218 159 A C 2.438 179.831 177.584 -0.319 0.000 1.175 159 A CA 2.071 54.002 52.037 -0.176 0.000 0.628 159 A CB -0.750 18.163 19.000 -0.145 0.000 0.814 159 A HN 0.571 nan 8.150 nan 0.000 0.444 160 A N -0.961 121.469 122.820 -0.650 0.000 1.865 160 A HA -0.098 4.222 4.320 0.000 0.000 0.217 160 A C 2.089 179.391 177.584 -0.469 0.000 1.191 160 A CA 1.711 53.023 52.037 -1.207 0.000 0.623 160 A CB -0.882 17.129 19.000 -1.649 0.000 0.826 160 A HN 0.550 nan 8.150 nan 0.000 0.444 161 Y N -0.126 120.039 120.300 -0.225 0.000 2.181 161 Y HA -0.069 4.481 4.550 0.000 0.000 0.288 161 Y C 2.957 178.855 175.900 -0.004 0.000 1.146 161 Y CA 0.273 58.360 58.100 -0.023 0.000 1.164 161 Y CB -1.224 37.216 38.460 -0.033 0.000 0.982 161 Y HN 0.331 nan 8.280 nan 0.000 0.515 162 A N -0.082 122.796 122.820 0.095 0.000 1.933 162 A HA -0.219 4.101 4.320 0.000 0.000 0.218 162 A C 2.189 179.812 177.584 0.065 0.000 1.175 162 A CA 1.833 53.913 52.037 0.071 0.000 0.628 162 A CB -0.594 18.430 19.000 0.039 0.000 0.814 162 A HN 0.379 nan 8.150 nan 0.000 0.444 163 E N -0.086 120.116 120.200 0.003 0.000 2.051 163 E HA -0.210 4.140 4.350 0.000 0.000 0.192 163 E C 1.857 178.478 176.600 0.035 0.000 0.991 163 E CA 1.717 58.123 56.400 0.009 0.000 0.799 163 E CB -0.447 29.268 29.700 0.024 0.000 0.748 163 E HN 0.711 nan 8.360 nan 0.000 0.449 164 H N -0.332 118.850 119.070 0.187 0.000 2.387 164 H HA -0.010 4.546 4.556 0.000 0.000 0.299 164 H C 1.888 177.306 175.328 0.149 0.000 1.090 164 H CA 1.410 57.569 56.048 0.186 0.000 1.332 164 H CB -0.464 29.418 29.762 0.199 0.000 1.386 164 H HN 0.353 nan 8.280 nan 0.000 0.516 165 A N 1.196 124.156 122.820 0.233 0.000 1.902 165 A HA -0.057 4.263 4.320 0.000 0.000 0.217 165 A C 2.715 180.439 177.584 0.234 0.000 1.181 165 A CA 1.628 53.775 52.037 0.183 0.000 0.623 165 A CB -0.743 18.335 19.000 0.130 0.000 0.818 165 A HN 0.425 nan 8.150 nan 0.000 0.443 166 A N -0.588 122.339 122.820 0.178 0.000 1.933 166 A HA 0.004 4.324 4.320 0.000 0.000 0.218 166 A C 2.189 179.864 177.584 0.150 0.000 1.175 166 A CA 1.656 53.782 52.037 0.148 0.000 0.628 166 A CB -0.943 18.119 19.000 0.103 0.000 0.814 166 A HN 0.383 nan 8.150 nan 0.000 0.444 167 V N -0.090 119.921 119.914 0.162 0.000 2.380 167 V HA -0.236 3.884 4.120 0.000 0.000 0.251 167 V C 2.205 178.406 176.094 0.178 0.000 1.063 167 V CA 1.952 64.349 62.300 0.162 0.000 1.055 167 V CB -0.561 31.380 31.823 0.197 0.000 0.657 167 V HN 0.578 nan 8.190 nan 0.000 0.455 168 L N -0.181 121.179 121.223 0.228 0.000 2.592 168 L HA 0.327 4.667 4.340 0.000 0.000 0.227 168 L C 1.555 178.609 176.870 0.307 0.000 1.127 168 L CA 0.788 55.786 54.840 0.263 0.000 0.884 168 L CB -0.111 42.107 42.059 0.264 0.000 1.065 168 L HN 0.523 nan 8.230 nan 0.000 0.457 169 G N -0.441 108.480 108.800 0.202 0.000 2.131 169 G HA2 -0.274 3.686 3.960 0.000 0.000 0.223 169 G HA3 -0.274 3.686 3.960 0.000 0.000 0.223 169 G C -0.145 174.675 174.900 -0.133 0.000 0.990 169 G CA -0.551 44.556 45.100 0.012 0.000 0.671 169 G HN 0.150 nan 8.290 nan 0.000 0.521 170 F N 0.385 120.350 119.950 0.025 0.000 2.467 170 F HA 0.809 5.336 4.527 -0.000 0.000 0.336 170 F C 0.517 176.331 175.800 0.023 0.000 1.123 170 F CA -0.861 57.150 58.000 0.018 0.000 0.964 170 F CB 1.991 40.999 39.000 0.014 0.000 1.136 170 F HN 0.278 nan 8.300 nan 0.000 0.447 171 R N 2.632 123.214 120.500 0.137 0.000 2.643 171 R HA 0.604 4.944 4.340 0.000 0.000 0.269 171 R C -1.949 174.392 176.300 0.068 0.000 1.037 171 R CA -0.846 55.310 56.100 0.094 0.000 0.894 171 R CB 1.827 32.163 30.300 0.060 0.000 1.238 171 R HN 0.663 nan 8.270 nan 0.000 0.459 172 K N 1.533 121.969 120.400 0.060 0.000 2.443 172 K HA 0.200 4.520 4.320 0.000 0.000 0.252 172 K C 0.633 177.257 176.600 0.039 0.000 0.933 172 K CA -0.359 55.954 56.287 0.043 0.000 0.792 172 K CB 2.259 34.782 32.500 0.037 0.000 1.185 172 K HN 0.843 nan 8.250 nan 0.000 0.425 173 T N -1.369 113.205 114.554 0.033 0.000 2.737 173 T HA -0.214 4.136 4.350 0.000 0.000 0.269 173 T C 1.436 176.162 174.700 0.044 0.000 1.040 173 T CA 1.269 63.390 62.100 0.036 0.000 1.142 173 T CB -0.047 68.838 68.868 0.029 0.000 0.861 173 T HN 0.624 nan 8.240 nan 0.000 0.456 174 E N 0.619 120.842 120.200 0.038 0.000 2.110 174 E HA -0.086 4.264 4.350 0.000 0.000 0.193 174 E C 2.127 178.770 176.600 0.072 0.000 0.988 174 E CA 1.155 57.581 56.400 0.044 0.000 0.804 174 E CB -0.275 29.432 29.700 0.011 0.000 0.745 174 E HN 0.645 nan 8.360 nan 0.000 0.458 175 I N 1.328 121.934 120.570 0.061 0.000 2.142 175 I HA -0.283 3.887 4.170 0.000 0.000 0.240 175 I C 2.006 178.189 176.117 0.111 0.000 1.078 175 I CA 1.199 62.551 61.300 0.086 0.000 1.343 175 I CB -0.282 37.752 38.000 0.057 0.000 1.046 175 I HN 0.038 nan 8.210 nan 0.000 0.405 176 D N 0.676 121.121 120.400 0.076 0.000 2.144 176 D HA -0.168 4.472 4.640 0.000 0.000 0.200 176 D C 2.017 178.352 176.300 0.057 0.000 0.978 176 D CA 1.232 55.268 54.000 0.060 0.000 0.833 176 D CB -0.175 40.655 40.800 0.049 0.000 0.961 176 D HN 0.478 nan 8.370 nan 0.000 0.470 177 E N 0.155 120.398 120.200 0.072 0.000 2.077 177 E HA -0.162 4.188 4.350 0.000 0.000 0.193 177 E C 1.873 178.526 176.600 0.088 0.000 0.989 177 E CA 0.534 56.975 56.400 0.068 0.000 0.800 177 E CB -0.175 29.569 29.700 0.074 0.000 0.746 177 E HN 0.186 nan 8.360 nan 0.000 0.452 178 F N 1.200 121.142 119.950 -0.015 0.000 2.234 178 F HA -0.171 4.357 4.527 0.000 0.000 0.299 178 F C 2.021 177.805 175.800 -0.026 0.000 1.087 178 F CA 1.048 59.035 58.000 -0.022 0.000 1.340 178 F CB -0.018 38.963 39.000 -0.031 0.000 1.031 178 F HN -0.043 nan 8.300 nan 0.000 0.500 179 M N -0.017 119.529 119.600 -0.091 0.000 2.082 179 M HA -0.250 4.230 4.480 0.000 0.000 0.258 179 M C 2.319 178.486 176.300 -0.223 0.000 1.069 179 M CA 1.694 56.890 55.300 -0.174 0.000 1.102 179 M CB -1.490 31.076 32.600 -0.055 0.000 1.336 179 M HN 0.238 nan 8.290 nan 0.000 0.404 180 L N -1.015 120.122 121.223 -0.143 0.000 2.109 180 L HA -0.153 4.187 4.340 0.000 0.000 0.207 180 L C 2.433 179.199 176.870 -0.174 0.000 1.086 180 L CA 1.006 55.768 54.840 -0.129 0.000 0.760 180 L CB -0.785 41.232 42.059 -0.069 0.000 0.910 180 L HN 0.398 nan 8.230 nan 0.000 0.437 181 E N 0.922 121.008 120.200 -0.191 0.000 2.058 181 E HA -0.253 4.097 4.350 0.000 0.000 0.194 181 E C 2.217 178.642 176.600 -0.291 0.000 0.997 181 E CA 1.458 57.749 56.400 -0.181 0.000 0.801 181 E CB 0.053 29.709 29.700 -0.074 0.000 0.746 181 E HN 0.433 nan 8.360 nan 0.000 0.450 182 A N 0.978 123.459 122.820 -0.566 0.000 1.873 182 A HA -0.125 4.195 4.320 0.000 0.000 0.215 182 A C 2.240 179.652 177.584 -0.288 0.000 1.186 182 A CA 1.114 52.833 52.037 -0.529 0.000 0.616 182 A CB -0.719 17.761 19.000 -0.866 0.000 0.823 182 A HN 0.308 nan 8.150 nan 0.000 0.442 183 L N -0.626 120.443 121.223 -0.257 0.000 2.012 183 L HA -0.232 4.108 4.340 0.000 0.000 0.210 183 L C 3.113 179.894 176.870 -0.147 0.000 1.073 183 L CA 1.269 56.007 54.840 -0.169 0.000 0.748 183 L CB -0.500 41.472 42.059 -0.143 0.000 0.891 183 L HN 0.441 nan 8.230 nan 0.000 0.431 184 A N -0.177 122.549 122.820 -0.156 0.000 1.933 184 A HA -0.236 4.084 4.320 0.000 0.000 0.218 184 A C 2.502 180.016 177.584 -0.118 0.000 1.175 184 A CA 1.925 53.874 52.037 -0.146 0.000 0.628 184 A CB -0.767 18.143 19.000 -0.151 0.000 0.814 184 A HN 0.554 nan 8.150 nan 0.000 0.444 185 S N 0.154 115.788 115.700 -0.110 0.000 2.419 185 S HA -0.187 4.283 4.470 0.000 0.000 0.235 185 S C 1.821 176.386 174.600 -0.059 0.000 1.019 185 S CA 2.034 60.190 58.200 -0.074 0.000 0.982 185 S CB -1.443 61.719 63.200 -0.062 0.000 0.789 185 S HN 0.858 nan 8.310 nan 0.000 0.490 186 T N -0.580 113.933 114.554 -0.069 0.000 3.160 186 T HA 0.029 4.379 4.350 0.000 0.000 0.257 186 T C 1.541 176.216 174.700 -0.042 0.000 1.147 186 T CA 1.118 63.190 62.100 -0.047 0.000 1.064 186 T CB -0.753 68.088 68.868 -0.046 0.000 0.949 186 T HN 0.666 nan 8.240 nan 0.000 0.526 187 T N -1.847 112.672 114.554 -0.059 0.000 3.069 187 T HA 0.355 4.705 4.350 0.000 0.000 0.252 187 T C 0.365 175.038 174.700 -0.045 0.000 1.053 187 T CA -0.600 61.467 62.100 -0.055 0.000 0.964 187 T CB -0.037 68.777 68.868 -0.091 0.000 1.005 187 T HN 0.349 nan 8.240 nan 0.000 0.532 188 K N 1.394 121.770 120.400 -0.039 0.000 2.208 188 K HA 0.434 4.754 4.320 0.000 0.000 0.247 188 K C -1.172 175.420 176.600 -0.013 0.000 0.953 188 K CA -0.914 55.357 56.287 -0.026 0.000 0.837 188 K CB 1.223 33.706 32.500 -0.028 0.000 1.131 188 K HN 0.101 nan 8.250 nan 0.000 0.431 189 D N 3.086 123.482 120.400 -0.007 0.000 2.428 189 D HA 0.222 4.862 4.640 0.000 0.000 0.221 189 D C -0.390 175.912 176.300 0.004 0.000 1.123 189 D CA -0.004 53.996 54.000 -0.001 0.000 0.869 189 D CB 0.682 41.483 40.800 0.000 0.000 1.032 189 D HN 0.202 nan 8.370 nan 0.000 0.506 190 L N 1.015 122.242 121.223 0.006 0.000 2.319 190 L HA 0.327 4.667 4.340 0.000 0.000 0.267 190 L C 1.055 177.934 176.870 0.015 0.000 1.011 190 L CA -0.954 53.892 54.840 0.011 0.000 0.818 190 L CB 1.805 43.871 42.059 0.013 0.000 1.316 190 L HN 0.256 nan 8.230 nan 0.000 0.432 191 S N 0.110 115.821 115.700 0.017 0.000 2.589 191 S HA 0.147 4.617 4.470 0.000 0.000 0.265 191 S C 1.067 175.680 174.600 0.022 0.000 1.342 191 S CA -0.772 57.438 58.200 0.018 0.000 1.005 191 S CB 1.309 64.519 63.200 0.017 0.000 0.909 191 S HN 0.341 nan 8.310 nan 0.000 0.555 192 V N 1.356 121.283 119.914 0.021 0.000 2.332 192 V HA -0.165 3.955 4.120 0.000 0.000 0.248 192 V C 2.275 178.387 176.094 0.030 0.000 1.055 192 V CA 2.300 64.616 62.300 0.026 0.000 1.038 192 V CB -1.039 30.797 31.823 0.022 0.000 0.651 192 V HN 0.853 nan 8.190 nan 0.000 0.450 193 D N -0.146 120.270 120.400 0.026 0.000 2.104 193 D HA -0.173 4.467 4.640 0.000 0.000 0.194 193 D C 2.244 178.567 176.300 0.039 0.000 0.994 193 D CA 1.396 55.414 54.000 0.030 0.000 0.830 193 D CB -0.189 40.624 40.800 0.023 0.000 0.959 193 D HN 0.561 nan 8.370 nan 0.000 0.452 194 E N -0.166 120.056 120.200 0.036 0.000 2.077 194 E HA -0.118 4.232 4.350 0.000 0.000 0.193 194 E C 2.242 178.872 176.600 0.050 0.000 0.989 194 E CA 0.737 57.162 56.400 0.042 0.000 0.800 194 E CB -0.054 29.666 29.700 0.033 0.000 0.746 194 E HN 0.292 nan 8.360 nan 0.000 0.452 195 M N 0.134 119.761 119.600 0.044 0.000 2.132 195 M HA -0.139 4.341 4.480 0.000 0.000 0.263 195 M C 2.370 178.708 176.300 0.064 0.000 1.065 195 M CA 0.992 56.321 55.300 0.048 0.000 1.122 195 M CB -0.021 32.603 32.600 0.040 0.000 1.365 195 M HN 0.018 nan 8.290 nan 0.000 0.411 196 V N 0.376 120.329 119.914 0.066 0.000 2.427 196 V HA -0.215 3.905 4.120 0.000 0.000 0.248 196 V C 2.630 178.782 176.094 0.096 0.000 1.051 196 V CA 1.898 64.247 62.300 0.082 0.000 1.048 196 V CB -1.158 30.711 31.823 0.077 0.000 0.666 196 V HN 0.501 nan 8.190 nan 0.000 0.456 197 A N -0.237 122.635 122.820 0.086 0.000 1.933 197 A HA -0.170 4.150 4.320 0.000 0.000 0.218 197 A C 2.219 179.870 177.584 0.112 0.000 1.175 197 A CA 1.753 53.846 52.037 0.094 0.000 0.628 197 A CB -0.530 18.517 19.000 0.078 0.000 0.814 197 A HN 0.502 nan 8.150 nan 0.000 0.444 198 L N -0.668 120.627 121.223 0.120 0.000 2.046 198 L HA -0.168 4.172 4.340 0.000 0.000 0.208 198 L C 2.524 179.510 176.870 0.193 0.000 1.077 198 L CA 1.058 56.005 54.840 0.179 0.000 0.747 198 L CB -0.455 41.689 42.059 0.141 0.000 0.896 198 L HN 0.254 nan 8.230 nan 0.000 0.432 199 V N -0.668 119.325 119.914 0.131 0.000 2.343 199 V HA -0.293 3.827 4.120 0.000 0.000 0.247 199 V C 2.518 178.667 176.094 0.092 0.000 1.051 199 V CA 1.474 63.839 62.300 0.108 0.000 1.036 199 V CB -0.384 31.488 31.823 0.082 0.000 0.654 199 V HN 0.374 nan 8.190 nan 0.000 0.451 200 M N -0.364 119.304 119.600 0.113 0.000 2.175 200 M HA -0.122 4.359 4.480 0.000 0.000 0.264 200 M C 2.143 178.502 176.300 0.097 0.000 1.063 200 M CA 1.544 56.931 55.300 0.146 0.000 1.119 200 M CB -1.193 31.525 32.600 0.197 0.000 1.377 200 M HN 0.315 nan 8.290 nan 0.000 0.415 201 K N 0.405 120.819 120.400 0.023 0.000 2.097 201 K HA -0.083 4.237 4.320 0.000 0.000 0.206 201 K C 1.959 178.286 176.600 -0.455 0.000 1.049 201 K CA 1.411 57.583 56.287 -0.192 0.000 0.933 201 K CB 0.013 32.415 32.500 -0.164 0.000 0.717 201 K HN 0.221 nan 8.250 nan 0.000 0.442 202 A N 0.747 123.446 122.820 -0.201 0.000 1.902 202 A HA -0.089 4.231 4.320 0.000 0.000 0.217 202 A C 2.343 179.824 177.584 -0.171 0.000 1.181 202 A CA 1.897 53.871 52.037 -0.105 0.000 0.623 202 A CB -1.231 17.890 19.000 0.203 0.000 0.818 202 A HN 0.545 nan 8.150 nan 0.000 0.443 203 G N -0.604 108.116 108.800 -0.132 0.000 2.440 203 G HA2 0.002 3.962 3.960 0.000 0.000 0.218 203 G HA3 0.002 3.962 3.960 0.000 0.000 0.218 203 G C 1.509 176.146 174.900 -0.437 0.000 1.154 203 G CA 1.266 46.281 45.100 -0.141 0.000 0.767 203 G HN 0.716 nan 8.290 nan 0.000 0.552 204 G N 0.419 108.679 108.800 -0.900 0.000 2.408 204 G HA2 -0.138 3.822 3.960 0.000 0.000 0.217 204 G HA3 -0.138 3.822 3.960 0.000 0.000 0.217 204 G C 1.775 176.239 174.900 -0.726 0.000 1.150 204 G CA 1.013 45.168 45.100 -1.574 0.000 0.776 204 G HN 0.275 nan 8.290 nan 0.000 0.542 205 M N 1.164 120.439 119.600 -0.541 0.000 2.319 205 M HA 0.198 4.678 4.480 0.000 0.000 0.265 205 M C 2.883 179.068 176.300 -0.191 0.000 1.068 205 M CA 0.667 55.753 55.300 -0.357 0.000 1.118 205 M CB -1.123 31.220 32.600 -0.428 0.000 1.395 205 M HN 0.302 nan 8.290 nan 0.000 0.435 206 A N 0.011 122.734 122.820 -0.161 0.000 1.902 206 A HA -0.070 4.250 4.320 0.000 0.000 0.217 206 A C 2.458 180.018 177.584 -0.040 0.000 1.181 206 A CA 1.605 53.619 52.037 -0.039 0.000 0.623 206 A CB -0.910 18.091 19.000 0.002 0.000 0.818 206 A HN 0.270 nan 8.150 nan 0.000 0.443 207 V N -0.238 119.613 119.914 -0.106 0.000 2.287 207 V HA -0.261 3.859 4.120 0.000 0.000 0.248 207 V C 2.756 178.810 176.094 -0.066 0.000 1.053 207 V CA 2.565 64.850 62.300 -0.025 0.000 1.027 207 V CB -1.375 30.432 31.823 -0.028 0.000 0.646 207 V HN 0.603 nan 8.190 nan 0.000 0.447 208 T N -0.332 114.148 114.554 -0.123 0.000 2.684 208 T HA -0.222 4.128 4.350 0.000 0.000 0.267 208 T C 1.926 176.559 174.700 -0.112 0.000 1.036 208 T CA 2.276 64.312 62.100 -0.107 0.000 1.148 208 T CB -0.408 68.393 68.868 -0.112 0.000 0.863 208 T HN 0.582 nan 8.240 nan 0.000 0.436 209 T N 1.828 116.332 114.554 -0.083 0.000 2.812 209 T HA 0.098 4.448 4.350 0.000 0.000 0.264 209 T C 2.081 176.713 174.700 -0.113 0.000 1.042 209 T CA 0.903 62.975 62.100 -0.046 0.000 1.140 209 T CB -0.295 68.593 68.868 0.033 0.000 0.870 209 T HN 0.299 nan 8.240 nan 0.000 0.445 210 M N 1.104 120.608 119.600 -0.158 0.000 2.117 210 M HA -0.037 4.443 4.480 0.000 0.000 0.262 210 M C 2.787 178.699 176.300 -0.646 0.000 1.065 210 M CA 1.517 56.626 55.300 -0.319 0.000 1.114 210 M CB -0.439 32.070 32.600 -0.151 0.000 1.361 210 M HN 0.303 nan 8.290 nan 0.000 0.408 211 A N 0.164 122.505 122.820 -0.798 0.000 1.902 211 A HA -0.156 4.164 4.320 0.000 0.000 0.217 211 A C 2.090 179.394 177.584 -0.467 0.000 1.181 211 A CA 1.373 52.813 52.037 -0.994 0.000 0.623 211 A CB -0.768 17.918 19.000 -0.523 0.000 0.818 211 A HN 0.425 nan 8.150 nan 0.000 0.443 212 L N -0.887 120.172 121.223 -0.275 0.000 2.056 212 L HA -0.092 4.248 4.340 0.000 0.000 0.207 212 L C 2.248 178.982 176.870 -0.227 0.000 1.078 212 L CA 1.834 56.575 54.840 -0.165 0.000 0.749 212 L CB -0.514 41.517 42.059 -0.046 0.000 0.901 212 L HN 0.375 nan 8.230 nan 0.000 0.433 213 L N -0.446 120.658 121.223 -0.198 0.000 2.056 213 L HA -0.211 4.129 4.340 0.000 0.000 0.207 213 L C 2.252 179.017 176.870 -0.176 0.000 1.078 213 L CA 2.099 56.846 54.840 -0.155 0.000 0.749 213 L CB -1.085 40.916 42.059 -0.096 0.000 0.901 213 L HN 0.517 nan 8.230 nan 0.000 0.433 214 D N -0.665 119.614 120.400 -0.201 0.000 2.104 214 D HA -0.302 4.338 4.640 0.000 0.000 0.194 214 D C 1.911 178.161 176.300 -0.084 0.000 0.994 214 D CA 1.630 55.588 54.000 -0.070 0.000 0.830 214 D CB 0.096 40.874 40.800 -0.036 0.000 0.959 214 D HN 0.656 nan 8.370 nan 0.000 0.452 215 E N 0.110 120.193 120.200 -0.195 0.000 2.051 215 E HA -0.181 4.169 4.350 0.000 0.000 0.192 215 E C 2.121 178.412 176.600 -0.516 0.000 0.991 215 E CA 1.116 57.366 56.400 -0.250 0.000 0.799 215 E CB -0.135 29.423 29.700 -0.237 0.000 0.748 215 E HN 0.296 nan 8.360 nan 0.000 0.449 216 A N 1.376 123.696 122.820 -0.833 0.000 1.865 216 A HA -0.241 4.079 4.320 0.000 0.000 0.217 216 A C 2.008 179.351 177.584 -0.401 0.000 1.191 216 A CA 1.829 53.224 52.037 -1.071 0.000 0.623 216 A CB -0.744 17.808 19.000 -0.746 0.000 0.826 216 A HN 0.283 nan 8.150 nan 0.000 0.444 217 N N -0.291 118.301 118.700 -0.181 0.000 2.084 217 N HA -0.132 4.608 4.740 0.000 0.000 0.190 217 N C 2.045 177.586 175.510 0.050 0.000 1.030 217 N CA 2.385 55.434 53.050 -0.002 0.000 0.849 217 N CB -0.820 37.740 38.487 0.121 0.000 1.012 217 N HN 0.719 nan 8.380 nan 0.000 0.423 218 T N -2.568 112.022 114.554 0.061 0.000 2.904 218 T HA -0.001 4.349 4.350 0.000 0.000 0.267 218 T C 1.950 176.631 174.700 -0.032 0.000 1.059 218 T CA 1.335 63.480 62.100 0.076 0.000 1.137 218 T CB -0.704 68.174 68.868 0.017 0.000 0.879 218 T HN 0.012 nan 8.240 nan 0.000 0.467 219 T N 2.112 116.613 114.554 -0.088 0.000 2.746 219 T HA -0.069 4.281 4.350 0.000 0.000 0.267 219 T C 2.149 176.783 174.700 -0.110 0.000 1.039 219 T CA 1.894 63.961 62.100 -0.056 0.000 1.142 219 T CB -0.728 68.157 68.868 0.029 0.000 0.866 219 T HN 0.542 nan 8.240 nan 0.000 0.444 220 T N 0.405 114.809 114.554 -0.249 0.000 2.851 220 T HA 0.012 4.362 4.350 0.000 0.000 0.262 220 T C 0.989 175.287 174.700 -0.671 0.000 1.043 220 T CA 0.902 62.685 62.100 -0.528 0.000 1.140 220 T CB -0.177 68.170 68.868 -0.868 0.000 0.872 220 T HN 0.428 nan 8.240 nan 0.000 0.446 221 Y N 0.747 120.990 120.300 -0.095 0.000 2.500 221 Y HA 0.513 5.063 4.550 -0.000 0.000 0.246 221 Y C 1.333 177.203 175.900 -0.049 0.000 1.146 221 Y CA -0.602 57.367 58.100 -0.218 0.000 1.230 221 Y CB 0.177 38.253 38.460 -0.640 0.000 1.214 221 Y HN 0.345 nan 8.280 nan 0.000 0.526 222 G N 0.872 109.723 108.800 0.084 0.000 2.707 222 G HA2 -0.221 3.739 3.960 0.000 0.000 0.686 222 G HA3 -0.221 3.739 3.960 0.000 0.000 0.686 222 G C -0.893 174.023 174.900 0.027 0.000 1.315 222 G CA -1.111 44.009 45.100 0.033 0.000 0.832 222 G HN 0.109 nan 8.290 nan 0.000 0.573 223 N N 1.571 120.189 118.700 -0.137 0.000 2.497 223 N HA 0.415 5.155 4.740 0.000 0.000 0.271 223 N C -2.254 173.096 175.510 -0.266 0.000 1.142 223 N CA -0.703 52.207 53.050 -0.234 0.000 0.965 223 N CB 0.946 39.180 38.487 -0.421 0.000 1.077 223 N HN 0.283 nan 8.380 nan 0.000 0.462 224 P HA -0.017 nan 4.420 nan 0.000 0.266 224 P C -0.213 176.924 177.300 -0.271 0.000 1.193 224 P CA 0.385 63.219 63.100 -0.442 0.000 0.770 224 P CB 0.555 31.975 31.700 -0.467 0.000 0.836 225 E N 1.417 121.469 120.200 -0.248 0.000 2.429 225 E HA 0.436 4.786 4.350 0.000 0.000 0.276 225 E C -0.698 175.677 176.600 -0.375 0.000 0.953 225 E CA -1.042 55.198 56.400 -0.266 0.000 0.787 225 E CB 0.951 30.555 29.700 -0.160 0.000 1.307 225 E HN 0.151 nan 8.360 nan 0.000 0.458 226 I N 1.545 121.829 120.570 -0.478 0.000 2.906 226 I HA -0.020 4.150 4.170 0.000 0.000 0.301 226 I C -0.375 175.574 176.117 -0.280 0.000 1.221 226 I CA 1.176 62.155 61.300 -0.536 0.000 1.435 226 I CB -0.034 37.696 38.000 -0.450 0.000 1.345 226 I HN 0.493 nan 8.210 nan 0.000 0.558 227 T N 5.893 120.305 114.554 -0.238 0.000 2.993 227 T HA 0.207 4.557 4.350 0.000 0.000 0.312 227 T C -0.729 173.961 174.700 -0.017 0.000 1.115 227 T CA -0.697 61.361 62.100 -0.069 0.000 1.027 227 T CB 1.783 70.694 68.868 0.072 0.000 1.116 227 T HN 0.571 nan 8.240 nan 0.000 0.464 228 Q N 2.599 122.396 119.800 -0.005 0.000 2.296 228 Q HA 0.583 4.923 4.340 0.000 0.000 0.257 228 Q C -1.253 174.754 176.000 0.012 0.000 0.942 228 Q CA -0.525 55.287 55.803 0.014 0.000 0.939 228 Q CB 0.718 29.458 28.738 0.003 0.000 1.198 228 Q HN 0.483 nan 8.270 nan 0.000 0.429 229 V N 4.704 124.641 119.914 0.039 0.000 2.370 229 V HA 0.188 4.308 4.120 0.000 0.000 0.283 229 V C 0.052 176.154 176.094 0.014 0.000 1.023 229 V CA -1.008 61.299 62.300 0.011 0.000 0.857 229 V CB 1.310 33.168 31.823 0.058 0.000 0.985 229 V HN 0.768 nan 8.190 nan 0.000 0.443 230 N N 4.135 122.827 118.700 -0.013 0.000 2.483 230 N HA 0.156 4.896 4.740 0.000 0.000 0.264 230 N C 0.618 176.166 175.510 0.064 0.000 1.197 230 N CA -0.037 53.024 53.050 0.018 0.000 0.927 230 N CB 0.765 39.253 38.487 0.001 0.000 1.065 230 N HN 0.750 nan 8.380 nan 0.000 0.461 231 I N 0.002 120.620 120.570 0.080 0.000 4.082 231 I HA 0.491 4.661 4.170 0.000 0.000 0.337 231 I C 0.888 177.080 176.117 0.124 0.000 1.352 231 I CA -0.652 60.712 61.300 0.106 0.000 1.097 231 I CB 0.162 38.201 38.000 0.066 0.000 1.048 231 I HN 0.314 nan 8.210 nan 0.000 0.393 232 G N 1.832 110.707 108.800 0.125 0.000 2.535 232 G HA2 0.532 4.492 3.960 0.000 0.000 0.282 232 G HA3 0.532 4.492 3.960 0.000 0.000 0.282 232 G C -0.230 174.823 174.900 0.255 0.000 1.350 232 G CA 0.195 45.382 45.100 0.146 0.000 1.039 232 G HN 0.254 nan 8.290 nan 0.000 0.509 233 V N -3.034 117.025 119.914 0.241 0.000 3.046 233 V HA 0.968 5.088 4.120 0.000 0.000 0.316 233 V C 0.589 176.815 176.094 0.219 0.000 1.104 233 V CA -0.117 62.384 62.300 0.335 0.000 1.006 233 V CB 1.321 33.306 31.823 0.269 0.000 1.058 233 V HN 1.126 nan 8.190 nan 0.000 0.440 234 G N 0.430 109.386 108.800 0.259 0.000 2.606 234 G HA2 0.532 4.492 3.960 0.000 0.000 0.262 234 G HA3 0.532 4.492 3.960 0.000 0.000 0.262 234 G C -0.038 174.927 174.900 0.108 0.000 1.394 234 G CA -0.671 44.516 45.100 0.145 0.000 1.044 234 G HN 0.822 nan 8.290 nan 0.000 0.553 235 K N -0.151 120.291 120.400 0.070 0.000 2.387 235 K HA 0.198 4.518 4.320 0.000 0.000 0.203 235 K C -0.156 176.457 176.600 0.021 0.000 1.030 235 K CA -0.295 56.013 56.287 0.035 0.000 1.099 235 K CB 0.420 32.936 32.500 0.026 0.000 0.863 235 K HN 0.197 nan 8.250 nan 0.000 0.529 236 N N 1.713 120.436 118.700 0.039 0.000 2.477 236 N HA 0.294 5.034 4.740 0.000 0.000 0.284 236 N C -2.643 172.864 175.510 -0.005 0.000 1.182 236 N CA -1.876 51.188 53.050 0.022 0.000 0.949 236 N CB 0.724 39.239 38.487 0.047 0.000 1.204 236 N HN -0.105 nan 8.380 nan 0.000 0.526 237 P HA 0.152 nan 4.420 nan 0.000 0.269 237 P C -0.266 177.017 177.300 -0.028 0.000 1.215 237 P CA -0.101 62.946 63.100 -0.090 0.000 0.780 237 P CB 0.576 32.236 31.700 -0.067 0.000 0.898 238 G N 0.770 109.511 108.800 -0.098 0.000 2.658 238 G HA2 0.679 4.639 3.960 0.000 0.000 0.292 238 G HA3 0.679 4.639 3.960 0.000 0.000 0.292 238 G C -1.382 173.653 174.900 0.226 0.000 1.320 238 G CA -0.863 44.329 45.100 0.154 0.000 0.933 238 G HN 0.401 nan 8.290 nan 0.000 0.476 239 I N 0.304 121.029 120.570 0.259 0.000 2.433 239 I HA 0.324 4.494 4.170 0.000 0.000 0.292 239 I C -0.929 175.142 176.117 -0.077 0.000 1.001 239 I CA -0.757 60.590 61.300 0.078 0.000 1.119 239 I CB 2.107 40.031 38.000 -0.127 0.000 1.289 239 I HN 0.212 nan 8.210 nan 0.000 0.438 240 L N 7.961 128.881 121.223 -0.505 0.000 2.272 240 L HA 0.538 4.878 4.340 0.000 0.000 0.289 240 L C -0.673 175.885 176.870 -0.520 0.000 1.032 240 L CA -0.046 54.302 54.840 -0.821 0.000 0.810 240 L CB 1.050 42.130 42.059 -1.631 0.000 1.205 240 L HN 0.493 nan 8.230 nan 0.000 0.422 241 I N 4.065 124.420 120.570 -0.357 0.000 2.377 241 I HA 0.503 4.673 4.170 0.000 0.000 0.293 241 I C -0.328 175.697 176.117 -0.154 0.000 0.987 241 I CA 0.137 61.259 61.300 -0.297 0.000 1.185 241 I CB 1.440 39.225 38.000 -0.358 0.000 1.341 241 I HN 0.703 nan 8.210 nan 0.000 0.455 242 S N 4.112 119.758 115.700 -0.090 0.000 2.671 242 S HA 0.972 5.442 4.470 0.000 0.000 0.299 242 S C -0.066 174.582 174.600 0.080 0.000 1.116 242 S CA 0.370 58.625 58.200 0.092 0.000 0.912 242 S CB 1.523 64.876 63.200 0.256 0.000 1.130 242 S HN 1.261 nan 8.310 nan 0.000 0.501 243 G N 1.663 110.534 108.800 0.120 0.000 2.481 243 G HA2 -0.136 3.824 3.960 0.000 0.000 0.230 243 G HA3 -0.136 3.824 3.960 0.000 0.000 0.230 243 G C -0.248 174.640 174.900 -0.020 0.000 1.210 243 G CA 0.569 45.767 45.100 0.165 0.000 0.936 243 G HN 0.868 nan 8.290 nan 0.000 0.583 244 H N 0.128 119.261 119.070 0.105 0.000 3.622 244 H HA 0.311 4.867 4.556 0.000 0.000 0.259 244 H C 0.317 175.562 175.328 -0.139 0.000 1.145 244 H CA 0.236 56.282 56.048 -0.003 0.000 1.178 244 H CB 0.728 30.480 29.762 -0.018 0.000 1.542 244 H HN 0.428 nan 8.280 nan 0.000 0.586 245 D N 1.778 122.224 120.400 0.077 0.000 2.338 245 D HA 0.022 4.662 4.640 0.000 0.000 0.255 245 D C 0.968 177.269 176.300 0.002 0.000 1.237 245 D CA 0.022 54.066 54.000 0.073 0.000 0.883 245 D CB 0.985 41.950 40.800 0.275 0.000 1.087 245 D HN 0.313 nan 8.370 nan 0.000 0.485 246 L N 3.791 125.012 121.223 -0.005 0.000 2.313 246 L HA -0.041 4.299 4.340 0.000 0.000 0.214 246 L C 2.464 179.289 176.870 -0.075 0.000 1.119 246 L CA 0.411 55.195 54.840 -0.094 0.000 0.809 246 L CB -0.133 41.868 42.059 -0.097 0.000 0.933 246 L HN 0.367 nan 8.230 nan 0.000 0.449 247 K N 0.471 120.958 120.400 0.144 0.000 2.097 247 K HA -0.166 4.154 4.320 0.000 0.000 0.205 247 K C 1.546 178.202 176.600 0.092 0.000 1.050 247 K CA 1.374 57.789 56.287 0.215 0.000 0.938 247 K CB 0.141 32.801 32.500 0.268 0.000 0.718 247 K HN 0.167 nan 8.250 nan 0.000 0.442 248 D N 0.701 121.145 120.400 0.073 0.000 2.123 248 D HA -0.205 4.435 4.640 0.000 0.000 0.196 248 D C 1.770 177.985 176.300 -0.142 0.000 0.992 248 D CA 1.219 55.267 54.000 0.081 0.000 0.833 248 D CB -0.137 40.715 40.800 0.086 0.000 0.954 248 D HN 0.202 nan 8.370 nan 0.000 0.455 249 M N 1.160 120.564 119.600 -0.327 0.000 2.086 249 M HA -0.067 4.413 4.480 0.000 0.000 0.261 249 M C 1.963 177.837 176.300 -0.710 0.000 1.067 249 M CA 1.593 56.507 55.300 -0.643 0.000 1.116 249 M CB -0.632 31.440 32.600 -0.880 0.000 1.348 249 M HN -0.026 nan 8.290 nan 0.000 0.407 250 A N -0.291 122.198 122.820 -0.551 0.000 1.908 250 A HA -0.231 4.089 4.320 0.000 0.000 0.218 250 A C 2.065 179.591 177.584 -0.097 0.000 1.181 250 A CA 2.220 54.125 52.037 -0.219 0.000 0.627 250 A CB -0.989 18.119 19.000 0.180 0.000 0.818 250 A HN 0.714 nan 8.150 nan 0.000 0.445 251 E N -0.966 119.227 120.200 -0.010 0.000 2.072 251 E HA -0.134 4.216 4.350 0.000 0.000 0.190 251 E C 1.964 178.602 176.600 0.063 0.000 0.982 251 E CA 1.028 57.486 56.400 0.097 0.000 0.803 251 E CB -0.231 29.598 29.700 0.214 0.000 0.755 251 E HN 0.502 nan 8.360 nan 0.000 0.453 252 L N 1.073 122.225 121.223 -0.118 0.000 2.017 252 L HA -0.167 4.173 4.340 0.000 0.000 0.208 252 L C 2.051 178.729 176.870 -0.320 0.000 1.073 252 L CA 1.525 56.156 54.840 -0.349 0.000 0.745 252 L CB -0.311 41.328 42.059 -0.699 0.000 0.894 252 L HN 0.105 nan 8.230 nan 0.000 0.432 253 L N -0.438 120.502 121.223 -0.472 0.000 2.046 253 L HA -0.258 4.082 4.340 0.000 0.000 0.208 253 L C 2.680 179.277 176.870 -0.455 0.000 1.077 253 L CA 1.858 56.318 54.840 -0.634 0.000 0.747 253 L CB -0.638 40.767 42.059 -1.090 0.000 0.896 253 L HN 0.333 nan 8.230 nan 0.000 0.432 254 K N -0.002 120.246 120.400 -0.253 0.000 2.057 254 K HA -0.228 4.092 4.320 0.000 0.000 0.207 254 K C 2.104 178.703 176.600 -0.002 0.000 1.049 254 K CA 1.584 57.865 56.287 -0.009 0.000 0.931 254 K CB -0.001 32.552 32.500 0.090 0.000 0.714 254 K HN 0.361 nan 8.250 nan 0.000 0.440 255 Q N -0.492 119.301 119.800 -0.012 0.000 2.230 255 Q HA -0.075 4.265 4.340 0.000 0.000 0.202 255 Q C 1.776 177.756 176.000 -0.032 0.000 0.963 255 Q CA 1.736 57.543 55.803 0.006 0.000 0.866 255 Q CB 0.217 28.994 28.738 0.066 0.000 0.931 255 Q HN 0.513 nan 8.270 nan 0.000 0.452 256 T N -2.160 112.359 114.554 -0.058 0.000 3.081 256 T HA 0.005 4.355 4.350 0.000 0.000 0.255 256 T C 0.630 175.168 174.700 -0.271 0.000 1.113 256 T CA -0.174 61.878 62.100 -0.081 0.000 1.082 256 T CB 0.059 68.936 68.868 0.015 0.000 0.939 256 T HN 0.132 nan 8.240 nan 0.000 0.506 257 E N 1.296 121.327 120.200 -0.282 0.000 2.480 257 E HA 0.311 4.661 4.350 0.000 0.000 0.258 257 E C 1.203 177.668 176.600 -0.225 0.000 0.984 257 E CA 0.691 56.859 56.400 -0.387 0.000 0.930 257 E CB -0.410 29.290 29.700 0.001 0.000 0.936 257 E HN 0.543 nan 8.360 nan 0.000 0.466 258 G N 3.204 111.857 108.800 -0.246 0.000 2.148 258 G HA2 -0.336 3.624 3.960 0.000 0.000 0.254 258 G HA3 -0.336 3.624 3.960 0.000 0.000 0.254 258 G C 0.753 175.595 174.900 -0.096 0.000 0.981 258 G CA 0.840 45.869 45.100 -0.119 0.000 0.670 258 G HN 0.707 nan 8.290 nan 0.000 0.528 259 T N -2.994 111.488 114.554 -0.121 0.000 3.044 259 T HA 0.444 4.794 4.350 0.000 0.000 0.250 259 T C 2.349 177.018 174.700 -0.051 0.000 1.081 259 T CA 1.535 63.591 62.100 -0.073 0.000 1.040 259 T CB 0.456 69.282 68.868 -0.069 0.000 0.962 259 T HN 2.134 nan 8.240 nan 0.000 0.506 260 G N 0.786 109.553 108.800 -0.055 0.000 2.159 260 G HA2 -0.207 3.753 3.960 0.000 0.000 0.256 260 G HA3 -0.207 3.753 3.960 0.000 0.000 0.256 260 G C -0.016 174.885 174.900 0.000 0.000 0.977 260 G CA 0.003 45.090 45.100 -0.021 0.000 0.652 260 G HN 0.740 nan 8.290 nan 0.000 0.531 261 V N 1.587 121.501 119.914 0.001 0.000 2.370 261 V HA 0.476 4.596 4.120 0.000 0.000 0.283 261 V C -0.048 176.116 176.094 0.117 0.000 1.023 261 V CA -1.056 61.266 62.300 0.037 0.000 0.857 261 V CB 1.642 33.469 31.823 0.007 0.000 0.985 261 V HN 0.227 nan 8.190 nan 0.000 0.443 262 D N 2.766 123.256 120.400 0.150 0.000 2.354 262 D HA 0.488 5.128 4.640 0.000 0.000 0.247 262 D C -0.338 176.048 176.300 0.144 0.000 1.138 262 D CA -0.090 54.015 54.000 0.175 0.000 0.958 262 D CB 2.141 43.018 40.800 0.127 0.000 1.144 262 D HN 0.256 nan 8.370 nan 0.000 0.458 263 V N 1.618 121.511 119.914 -0.035 0.000 2.495 263 V HA 0.334 4.454 4.120 0.000 0.000 0.298 263 V C -0.990 175.060 176.094 -0.073 0.000 1.031 263 V CA -0.635 61.602 62.300 -0.105 0.000 0.871 263 V CB 1.029 32.598 31.823 -0.424 0.000 0.988 263 V HN 0.377 nan 8.190 nan 0.000 0.432 264 Y N 1.514 121.793 120.300 -0.035 0.000 2.485 264 Y HA 0.638 5.188 4.550 0.000 0.000 0.345 264 Y C 0.741 176.601 175.900 -0.067 0.000 0.998 264 Y CA -0.804 57.331 58.100 0.058 0.000 1.059 264 Y CB 2.253 40.769 38.460 0.095 0.000 1.234 264 Y HN 0.725 nan 8.280 nan 0.000 0.461 265 T N -1.148 113.540 114.554 0.223 0.000 2.927 265 T HA 0.448 4.798 4.350 0.000 0.000 0.281 265 T C -1.026 173.781 174.700 0.177 0.000 0.998 265 T CA -0.609 61.554 62.100 0.106 0.000 1.019 265 T CB 1.750 70.693 68.868 0.126 0.000 1.061 265 T HN 0.784 nan 8.240 nan 0.000 0.518 266 H N -1.003 118.075 119.070 0.013 0.000 2.974 266 H HA 0.478 5.034 4.556 -0.000 0.000 0.366 266 H C 0.741 176.095 175.328 0.044 0.000 1.155 266 H CA 0.400 56.473 56.048 0.042 0.000 1.186 266 H CB 1.381 31.172 29.762 0.048 0.000 1.799 266 H HN 1.157 nan 8.280 nan 0.000 0.541 267 G N 4.222 112.646 108.800 -0.627 0.000 2.565 267 G HA2 -0.328 3.632 3.960 0.000 0.000 0.295 267 G HA3 -0.328 3.632 3.960 0.000 0.000 0.295 267 G C 0.701 175.600 174.900 -0.002 0.000 1.165 267 G CA 0.539 45.391 45.100 -0.415 0.000 0.977 267 G HN 0.636 nan 8.290 nan 0.000 0.546 268 E N 0.585 120.747 120.200 -0.065 0.000 2.511 268 E HA 0.102 4.452 4.350 0.000 0.000 0.196 268 E C 2.284 178.788 176.600 -0.160 0.000 1.066 268 E CA 0.346 56.638 56.400 -0.180 0.000 0.871 268 E CB -0.056 29.245 29.700 -0.666 0.000 0.863 268 E HN 0.413 nan 8.360 nan 0.000 0.520 269 M N -0.084 119.467 119.600 -0.080 0.000 2.502 269 M HA 0.017 4.497 4.480 0.000 0.000 0.243 269 M C 1.934 178.217 176.300 -0.030 0.000 1.130 269 M CA 0.093 55.357 55.300 -0.060 0.000 1.055 269 M CB -0.649 31.909 32.600 -0.069 0.000 1.457 269 M HN 0.111 nan 8.290 nan 0.000 0.488 270 L N 2.431 123.645 121.223 -0.015 0.000 2.021 270 L HA -0.113 4.227 4.340 0.000 0.000 0.215 270 L C -0.964 175.722 176.870 -0.306 0.000 1.074 270 L CA 2.472 57.273 54.840 -0.064 0.000 0.760 270 L CB -1.916 40.140 42.059 -0.005 0.000 0.889 270 L HN 0.107 nan 8.230 nan 0.000 0.433 271 P HA -0.090 nan 4.420 nan 0.000 0.225 271 P C 1.473 178.718 177.300 -0.091 0.000 1.148 271 P CA 1.479 64.285 63.100 -0.488 0.000 0.779 271 P CB -0.283 31.432 31.700 0.025 0.000 0.780 272 A N 0.132 123.012 122.820 0.100 0.000 2.024 272 A HA -0.241 4.079 4.320 0.000 0.000 0.220 272 A C 2.094 179.990 177.584 0.521 0.000 1.164 272 A CA 1.504 53.764 52.037 0.372 0.000 0.643 272 A CB -1.369 17.695 19.000 0.106 0.000 0.806 272 A HN 0.206 nan 8.150 nan 0.000 0.451 273 N N -1.151 117.673 118.700 0.206 0.000 2.443 273 N HA -0.153 4.587 4.740 0.000 0.000 0.184 273 N C 0.655 176.259 175.510 0.156 0.000 1.037 273 N CA 1.305 54.385 53.050 0.050 0.000 0.896 273 N CB -0.220 38.158 38.487 -0.181 0.000 0.959 273 N HN 0.649 nan 8.380 nan 0.000 0.442 274 Y N -0.772 119.624 120.300 0.161 0.000 2.482 274 Y HA 0.171 4.721 4.550 0.000 0.000 0.270 274 Y C 0.126 175.969 175.900 -0.094 0.000 1.152 274 Y CA -0.752 57.329 58.100 -0.032 0.000 1.292 274 Y CB -0.646 37.728 38.460 -0.145 0.000 1.070 274 Y HN -0.067 nan 8.280 nan 0.000 0.528 275 Y N 1.610 122.004 120.300 0.156 0.000 2.327 275 Y HA 0.249 4.799 4.550 0.000 0.000 0.336 275 Y C -1.314 174.562 175.900 -0.041 0.000 1.035 275 Y CA -2.706 55.390 58.100 -0.007 0.000 1.165 275 Y CB 0.802 39.137 38.460 -0.209 0.000 1.181 275 Y HN -0.105 nan 8.280 nan 0.000 0.494 276 P HA -0.279 nan 4.420 nan 0.000 0.216 276 P C 1.168 178.494 177.300 0.042 0.000 1.150 276 P CA 2.301 65.425 63.100 0.040 0.000 0.843 276 P CB 0.201 31.904 31.700 0.004 0.000 0.787 277 A N -1.860 120.943 122.820 -0.028 0.000 2.070 277 A HA -0.150 4.170 4.320 0.000 0.000 0.220 277 A C 1.595 179.300 177.584 0.202 0.000 1.159 277 A CA 1.393 53.426 52.037 -0.006 0.000 0.656 277 A CB -1.348 17.624 19.000 -0.047 0.000 0.800 277 A HN 0.102 nan 8.150 nan 0.000 0.453 278 F N -0.645 119.467 119.950 0.269 0.000 2.582 278 F HA 0.216 4.743 4.527 0.000 0.000 0.290 278 F C 1.855 177.916 175.800 0.436 0.000 1.115 278 F CA 0.246 58.468 58.000 0.371 0.000 1.445 278 F CB -0.402 38.769 39.000 0.284 0.000 1.126 278 F HN 0.084 nan 8.300 nan 0.000 0.574 279 K N 1.093 121.737 120.400 0.405 0.000 2.442 279 K HA -0.141 4.179 4.320 0.000 0.000 0.198 279 K C 1.737 178.426 176.600 0.149 0.000 1.042 279 K CA 0.866 57.283 56.287 0.218 0.000 0.958 279 K CB -0.160 32.406 32.500 0.108 0.000 0.766 279 K HN 0.330 nan 8.250 nan 0.000 0.474 280 K N -0.308 120.161 120.400 0.115 0.000 2.486 280 K HA -0.053 4.267 4.320 0.000 0.000 0.194 280 K C -0.409 176.138 176.600 -0.087 0.000 1.033 280 K CA 0.508 56.768 56.287 -0.044 0.000 1.004 280 K CB 0.108 32.512 32.500 -0.160 0.000 0.798 280 K HN -0.043 nan 8.250 nan 0.000 0.495 281 Y N 1.456 121.861 120.300 0.175 0.000 2.385 281 Y HA 0.260 4.810 4.550 0.000 0.000 0.341 281 Y C -1.786 174.210 175.900 0.161 0.000 0.965 281 Y CA -2.740 55.478 58.100 0.196 0.000 1.180 281 Y CB 1.608 40.170 38.460 0.169 0.000 1.139 281 Y HN -0.002 nan 8.280 nan 0.000 0.502 282 P HA -0.185 nan 4.420 nan 0.000 0.222 282 P C 1.132 178.547 177.300 0.192 0.000 1.147 282 P CA 1.522 64.734 63.100 0.186 0.000 0.790 282 P CB 0.097 31.882 31.700 0.141 0.000 0.780 283 H N -2.574 116.575 119.070 0.131 0.000 2.547 283 H HA 0.039 4.595 4.556 0.000 0.000 0.266 283 H C 0.109 175.484 175.328 0.078 0.000 0.988 283 H CA -0.253 55.837 56.048 0.070 0.000 1.147 283 H CB -0.732 29.056 29.762 0.044 0.000 1.365 283 H HN 0.048 nan 8.280 nan 0.000 0.589 284 F N 2.962 122.661 119.950 -0.417 0.000 2.464 284 F HA 0.239 4.766 4.527 0.000 0.000 0.353 284 F C 0.593 176.231 175.800 -0.270 0.000 1.191 284 F CA -1.015 56.749 58.000 -0.394 0.000 1.147 284 F CB 0.181 39.010 39.000 -0.285 0.000 1.294 284 F HN -0.132 nan 8.300 nan 0.000 0.583 285 V N 5.607 125.435 119.914 -0.143 0.000 2.323 285 V HA 0.174 4.295 4.120 0.000 0.000 0.244 285 V C 1.494 177.421 176.094 -0.279 0.000 1.041 285 V CA 1.676 63.783 62.300 -0.322 0.000 1.025 285 V CB -0.927 30.466 31.823 -0.717 0.000 0.656 285 V HN 0.999 nan 8.190 nan 0.000 0.451 286 G N -0.707 107.963 108.800 -0.218 0.000 2.403 286 G HA2 0.072 4.032 3.960 0.000 0.000 0.223 286 G HA3 0.072 4.032 3.960 0.000 0.000 0.223 286 G C -1.449 173.545 174.900 0.157 0.000 1.287 286 G CA -0.157 44.883 45.100 -0.100 0.000 0.982 286 G HN 0.304 nan 8.290 nan 0.000 0.471 287 N N -1.014 117.806 118.700 0.200 0.000 2.321 287 N HA 0.648 5.388 4.740 0.000 0.000 0.299 287 N C -1.615 174.099 175.510 0.341 0.000 1.048 287 N CA -0.545 52.662 53.050 0.262 0.000 0.836 287 N CB 1.572 40.159 38.487 0.167 0.000 1.269 287 N HN 0.611 nan 8.380 nan 0.000 0.486 288 Y N 3.651 124.085 120.300 0.224 0.000 2.335 288 Y HA 0.585 5.135 4.550 -0.000 0.000 0.338 288 Y C 0.733 176.706 175.900 0.122 0.000 0.977 288 Y CA 0.676 58.886 58.100 0.183 0.000 1.114 288 Y CB 0.770 39.319 38.460 0.148 0.000 1.182 288 Y HN 0.860 nan 8.280 nan 0.000 0.463 289 G N 2.991 111.593 108.800 -0.330 0.000 2.542 289 G HA2 0.091 4.051 3.960 0.000 0.000 0.235 289 G HA3 0.091 4.051 3.960 0.000 0.000 0.235 289 G C 0.033 174.775 174.900 -0.263 0.000 1.286 289 G CA -0.241 44.671 45.100 -0.313 0.000 0.904 289 G HN 1.326 nan 8.290 nan 0.000 0.577 290 G N -1.369 107.171 108.800 -0.433 0.000 3.286 290 G HA2 0.720 4.680 3.960 0.000 0.000 0.166 290 G HA3 0.720 4.680 3.960 0.000 0.000 0.166 290 G C 0.520 174.626 174.900 -1.324 0.000 1.155 290 G CA 1.130 45.785 45.100 -0.742 0.000 0.871 290 G HN 1.739 nan 8.290 nan 0.000 0.637 291 S N -0.142 114.808 115.700 -1.250 0.000 2.589 291 S HA 0.115 4.585 4.470 0.000 0.000 0.265 291 S C 1.549 175.664 174.600 -0.809 0.000 1.342 291 S CA 0.132 57.704 58.200 -1.047 0.000 1.005 291 S CB 0.086 62.841 63.200 -0.743 0.000 0.909 291 S HN 0.555 nan 8.310 nan 0.000 0.555 292 W N 3.828 124.892 121.300 -0.393 0.000 2.325 292 W HA -0.138 4.522 4.660 -0.000 0.000 0.299 292 W C 1.664 178.065 176.519 -0.197 0.000 1.215 292 W CA 1.267 58.513 57.345 -0.164 0.000 1.244 292 W CB -1.222 28.251 29.460 0.022 0.000 1.140 292 W HN 0.913 nan 8.180 nan 0.000 0.523 293 W N 1.824 122.476 121.300 -1.079 0.000 2.699 293 W HA 0.074 4.734 4.660 0.000 0.000 0.249 293 W C 0.987 177.213 176.519 -0.488 0.000 1.280 293 W CA 0.631 57.358 57.345 -1.031 0.000 1.345 293 W CB -1.427 27.053 29.460 -1.632 0.000 1.128 293 W HN 0.132 nan 8.180 nan 0.000 0.642 294 Q N 1.428 120.605 119.800 -1.038 0.000 2.280 294 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 294 Q C 2.336 178.034 176.000 -0.503 0.000 0.903 294 Q CA 0.475 55.802 55.803 -0.793 0.000 0.948 294 Q CB 0.063 28.212 28.738 -0.981 0.000 1.058 294 Q HN 0.557 nan 8.270 nan 0.000 0.493 295 Q N -0.213 119.285 119.800 -0.504 0.000 2.297 295 Q HA -0.118 4.222 4.340 0.000 0.000 0.204 295 Q C 0.997 176.594 176.000 -0.671 0.000 0.962 295 Q CA 0.841 56.140 55.803 -0.839 0.000 0.879 295 Q CB 0.028 27.942 28.738 -1.373 0.000 0.947 295 Q HN 0.219 nan 8.270 nan 0.000 0.462 296 N N 2.036 120.563 118.700 -0.288 0.000 2.025 296 N HA -0.098 4.642 4.740 0.000 0.000 0.194 296 N C -0.896 174.617 175.510 0.004 0.000 1.044 296 N CA 1.749 54.782 53.050 -0.028 0.000 0.851 296 N CB -1.473 37.040 38.487 0.044 0.000 1.036 296 N HN 0.372 nan 8.380 nan 0.000 0.422 297 P HA -0.040 nan 4.420 nan 0.000 0.219 297 P C 0.944 178.231 177.300 -0.021 0.000 1.150 297 P CA 1.299 64.388 63.100 -0.019 0.000 0.814 297 P CB 0.047 31.717 31.700 -0.050 0.000 0.787 298 E N -1.207 118.937 120.200 -0.094 0.000 2.076 298 E HA -0.075 4.275 4.350 0.000 0.000 0.190 298 E C 1.855 178.557 176.600 0.171 0.000 0.979 298 E CA 0.731 57.151 56.400 0.032 0.000 0.807 298 E CB -0.415 29.249 29.700 -0.060 0.000 0.761 298 E HN 0.127 nan 8.360 nan 0.000 0.454 299 F N 1.628 121.404 119.950 -0.290 0.000 2.171 299 F HA -0.126 4.401 4.527 0.000 0.000 0.300 299 F C 2.402 177.949 175.800 -0.423 0.000 1.090 299 F CA 1.168 58.843 58.000 -0.542 0.000 1.293 299 F CB -0.821 37.508 39.000 -1.118 0.000 1.013 299 F HN 0.042 nan 8.300 nan 0.000 0.486 300 E N 0.730 120.889 120.200 -0.067 0.000 2.031 300 E HA -0.186 4.164 4.350 0.000 0.000 0.193 300 E C 2.266 178.912 176.600 0.077 0.000 0.994 300 E CA 2.052 58.516 56.400 0.106 0.000 0.800 300 E CB -0.263 29.553 29.700 0.193 0.000 0.752 300 E HN 0.233 nan 8.360 nan 0.000 0.447 301 S N -0.677 115.082 115.700 0.099 0.000 2.481 301 S HA -0.100 4.370 4.470 0.000 0.000 0.231 301 S C 1.880 176.511 174.600 0.052 0.000 0.996 301 S CA 0.482 58.741 58.200 0.098 0.000 0.942 301 S CB -0.547 62.736 63.200 0.139 0.000 0.768 301 S HN 0.378 nan 8.310 nan 0.000 0.520 302 F N 2.990 122.857 119.950 -0.138 0.000 2.269 302 F HA -0.036 4.491 4.527 0.000 0.000 0.301 302 F C 1.291 176.871 175.800 -0.366 0.000 1.082 302 F CA 1.337 59.027 58.000 -0.517 0.000 1.360 302 F CB -0.312 38.303 39.000 -0.642 0.000 1.041 302 F HN 0.183 nan 8.300 nan 0.000 0.512 303 N N -1.175 117.373 118.700 -0.253 0.000 2.885 303 N HA -0.181 4.559 4.740 0.000 0.000 0.215 303 N C 0.635 176.024 175.510 -0.201 0.000 0.893 303 N CA 1.320 54.234 53.050 -0.226 0.000 1.147 303 N CB -1.684 36.640 38.487 -0.271 0.000 0.967 303 N HN 0.506 nan 8.380 nan 0.000 0.601 304 G N 0.566 109.185 108.800 -0.302 0.000 2.531 304 G HA2 0.632 4.592 3.960 0.000 0.000 0.313 304 G HA3 0.632 4.592 3.960 0.000 0.000 0.313 304 G C -2.705 172.275 174.900 0.133 0.000 1.238 304 G CA -0.786 44.264 45.100 -0.082 0.000 0.994 304 G HN -0.022 nan 8.290 nan 0.000 0.493 305 P HA 0.207 nan 4.420 nan 0.000 0.267 305 P C -0.720 176.542 177.300 -0.064 0.000 1.200 305 P CA 0.187 63.338 63.100 0.085 0.000 0.772 305 P CB 0.608 32.328 31.700 0.033 0.000 0.855 306 I N 2.518 123.004 120.570 -0.140 0.000 2.436 306 I HA 0.353 4.523 4.170 0.000 0.000 0.289 306 I C -0.510 175.453 176.117 -0.258 0.000 1.010 306 I CA -0.578 60.453 61.300 -0.448 0.000 1.098 306 I CB 1.620 39.082 38.000 -0.896 0.000 1.266 306 I HN 0.111 nan 8.210 nan 0.000 0.434 307 L N 7.232 128.271 121.223 -0.307 0.000 2.298 307 L HA 0.522 4.862 4.340 0.000 0.000 0.284 307 L C -1.285 175.494 176.870 -0.151 0.000 1.013 307 L CA -0.326 54.407 54.840 -0.178 0.000 0.824 307 L CB 0.985 42.875 42.059 -0.281 0.000 1.221 307 L HN 0.405 nan 8.230 nan 0.000 0.418 308 L N 5.594 126.793 121.223 -0.041 0.000 2.259 308 L HA 0.282 4.622 4.340 0.000 0.000 0.288 308 L C 1.381 178.292 176.870 0.068 0.000 1.051 308 L CA 0.144 55.006 54.840 0.038 0.000 0.824 308 L CB 1.073 43.196 42.059 0.106 0.000 1.206 308 L HN 0.896 nan 8.230 nan 0.000 0.429 309 T N -1.312 113.286 114.554 0.074 0.000 3.054 309 T HA 0.043 4.393 4.350 0.000 0.000 0.259 309 T C 0.832 175.614 174.700 0.138 0.000 1.092 309 T CA 0.734 62.895 62.100 0.101 0.000 1.121 309 T CB 0.229 69.157 68.868 0.099 0.000 0.912 309 T HN 0.627 nan 8.240 nan 0.000 0.489 310 T N -0.121 114.542 114.554 0.181 0.000 2.645 310 T HA 0.412 4.762 4.350 0.000 0.000 0.300 310 T C -0.986 173.844 174.700 0.216 0.000 1.210 310 T CA -1.024 61.179 62.100 0.173 0.000 1.034 310 T CB 0.824 69.971 68.868 0.464 0.000 1.537 310 T HN 0.357 nan 8.240 nan 0.000 0.492 311 N N -0.419 118.418 118.700 0.228 0.000 2.307 311 N HA 0.114 4.854 4.740 0.000 0.000 0.230 311 N C -0.560 175.123 175.510 0.288 0.000 1.297 311 N CA -0.311 52.877 53.050 0.231 0.000 0.884 311 N CB -0.138 38.455 38.487 0.178 0.000 1.115 311 N HN 0.760 nan 8.380 nan 0.000 0.436 312 C N 1.244 120.668 119.300 0.206 0.000 2.273 312 C HA 0.413 4.873 4.460 0.000 0.000 0.328 312 C C 0.168 175.330 174.990 0.287 0.000 1.275 312 C CA -0.826 58.269 59.018 0.129 0.000 1.704 312 C CB -0.555 27.030 27.740 -0.260 0.000 2.326 312 C HN 0.638 nan 8.230 nan 0.000 0.517 313 L N 6.658 128.099 121.223 0.363 0.000 2.287 313 L HA 0.717 5.057 4.340 0.000 0.000 0.287 313 L C -0.040 177.081 176.870 0.418 0.000 1.022 313 L CA 0.045 55.118 54.840 0.388 0.000 0.814 313 L CB 1.201 43.498 42.059 0.397 0.000 1.217 313 L HN 0.620 nan 8.230 nan 0.000 0.420 314 V N 4.338 124.392 119.914 0.232 0.000 2.539 314 V HA 0.744 4.864 4.120 0.000 0.000 0.292 314 V C -2.400 173.596 176.094 -0.163 0.000 1.045 314 V CA -1.994 60.387 62.300 0.135 0.000 0.945 314 V CB 0.876 32.842 31.823 0.238 0.000 0.993 314 V HN 0.772 nan 8.190 nan 0.000 0.464 315 P HA 0.209 nan 4.420 nan 0.000 0.267 315 P C -0.590 176.632 177.300 -0.130 0.000 1.200 315 P CA -0.127 62.795 63.100 -0.295 0.000 0.772 315 P CB 0.304 31.789 31.700 -0.358 0.000 0.855 316 L N 3.293 124.454 121.223 -0.104 0.000 2.426 316 L HA 0.113 4.453 4.340 0.000 0.000 0.271 316 L C 1.071 177.897 176.870 -0.073 0.000 1.169 316 L CA 0.493 55.250 54.840 -0.137 0.000 0.836 316 L CB -0.109 41.794 42.059 -0.259 0.000 1.112 316 L HN 0.221 nan 8.230 nan 0.000 0.465 317 K N 2.351 122.715 120.400 -0.059 0.000 2.219 317 K HA 0.053 4.373 4.320 0.000 0.000 0.258 317 K C 0.937 177.509 176.600 -0.046 0.000 1.008 317 K CA -0.254 56.014 56.287 -0.031 0.000 0.928 317 K CB 0.449 32.945 32.500 -0.007 0.000 0.983 317 K HN 0.413 nan 8.250 nan 0.000 0.484 318 K N 1.315 121.698 120.400 -0.028 0.000 2.160 318 K HA -0.210 4.110 4.320 0.000 0.000 0.206 318 K C 0.684 177.264 176.600 -0.034 0.000 1.047 318 K CA 1.768 58.038 56.287 -0.029 0.000 0.930 318 K CB 0.217 32.707 32.500 -0.016 0.000 0.720 318 K HN 0.399 nan 8.250 nan 0.000 0.450 319 E N 0.104 120.289 120.200 -0.026 0.000 2.478 319 E HA 0.043 4.393 4.350 0.000 0.000 0.194 319 E C -0.470 176.116 176.600 -0.024 0.000 1.045 319 E CA 0.031 56.420 56.400 -0.018 0.000 0.868 319 E CB 0.179 29.878 29.700 -0.003 0.000 0.885 319 E HN 0.322 nan 8.360 nan 0.000 0.505 320 N N 0.071 118.736 118.700 -0.058 0.000 2.518 320 N HA 0.039 4.779 4.740 0.000 0.000 0.266 320 N C 0.518 175.945 175.510 -0.139 0.000 1.196 320 N CA 0.587 53.579 53.050 -0.096 0.000 0.947 320 N CB 0.877 39.214 38.487 -0.249 0.000 1.098 320 N HN 0.053 nan 8.380 nan 0.000 0.450 321 T N -2.331 112.188 114.554 -0.060 0.000 3.085 321 T HA 0.034 4.384 4.350 0.000 0.000 0.264 321 T C 0.681 175.383 174.700 0.004 0.000 1.019 321 T CA -0.265 61.818 62.100 -0.028 0.000 0.910 321 T CB -0.355 68.531 68.868 0.030 0.000 1.059 321 T HN 0.637 nan 8.240 nan 0.000 0.542 322 Y N -0.176 120.126 120.300 0.003 0.000 2.461 322 Y HA 0.563 5.113 4.550 0.000 0.000 0.277 322 Y C 1.640 177.521 175.900 -0.031 0.000 1.182 322 Y CA -1.195 56.902 58.100 -0.005 0.000 1.276 322 Y CB -0.428 38.042 38.460 0.017 0.000 1.087 322 Y HN 0.128 nan 8.280 nan 0.000 0.519 323 L N 2.352 123.482 121.223 -0.154 0.000 2.079 323 L HA -0.225 4.115 4.340 0.000 0.000 0.210 323 L C 1.900 178.738 176.870 -0.052 0.000 1.081 323 L CA 2.323 57.102 54.840 -0.101 0.000 0.752 323 L CB -0.791 41.217 42.059 -0.086 0.000 0.896 323 L HN 0.537 nan 8.230 nan 0.000 0.433 324 D N -0.343 120.036 120.400 -0.036 0.000 2.350 324 D HA -0.218 4.422 4.640 0.000 0.000 0.216 324 D C 1.540 177.801 176.300 -0.065 0.000 0.968 324 D CA 1.156 55.126 54.000 -0.049 0.000 0.894 324 D CB -0.358 40.430 40.800 -0.019 0.000 0.909 324 D HN 0.643 nan 8.370 nan 0.000 0.520 325 R N -0.540 119.953 120.500 -0.012 0.000 2.629 325 R HA 0.347 4.687 4.340 0.000 0.000 0.386 325 R C -0.288 176.038 176.300 0.044 0.000 1.071 325 R CA -0.714 55.416 56.100 0.051 0.000 1.104 325 R CB -0.216 30.153 30.300 0.116 0.000 1.370 325 R HN 0.033 nan 8.270 nan 0.000 0.574 326 L N 1.421 122.588 121.223 -0.092 0.000 2.272 326 L HA 0.457 4.797 4.340 0.000 0.000 0.289 326 L C -1.457 175.287 176.870 -0.209 0.000 1.032 326 L CA -0.819 53.990 54.840 -0.051 0.000 0.810 326 L CB 0.610 42.677 42.059 0.014 0.000 1.205 326 L HN 0.051 nan 8.230 nan 0.000 0.422 327 Y N 2.392 122.673 120.300 -0.032 0.000 2.393 327 Y HA 0.648 5.198 4.550 0.000 0.000 0.341 327 Y C 0.539 176.448 175.900 0.015 0.000 0.988 327 Y CA -0.642 57.460 58.100 0.002 0.000 1.078 327 Y CB 2.120 40.570 38.460 -0.017 0.000 1.203 327 Y HN 0.690 nan 8.280 nan 0.000 0.453 328 T N -1.171 113.505 114.554 0.203 0.000 2.940 328 T HA 0.817 5.167 4.350 0.000 0.000 0.288 328 T C -0.369 174.363 174.700 0.053 0.000 1.033 328 T CA -0.649 61.573 62.100 0.204 0.000 1.033 328 T CB 2.145 71.218 68.868 0.342 0.000 1.079 328 T HN 0.638 nan 8.240 nan 0.000 0.496 329 T N -0.784 113.789 114.554 0.031 0.000 2.769 329 T HA 0.629 4.979 4.350 0.000 0.000 0.306 329 T C 0.632 175.365 174.700 0.055 0.000 1.400 329 T CA 0.925 62.930 62.100 -0.158 0.000 1.007 329 T CB 0.827 69.662 68.868 -0.055 0.000 1.392 329 T HN 1.895 nan 8.240 nan 0.000 0.500 330 G N 0.709 109.532 108.800 0.039 0.000 2.583 330 G HA2 -0.282 3.678 3.960 0.000 0.000 0.292 330 G HA3 -0.282 3.678 3.960 0.000 0.000 0.292 330 G C 1.182 176.092 174.900 0.016 0.000 1.203 330 G CA 1.373 46.489 45.100 0.028 0.000 0.987 330 G HN 1.900 nan 8.290 nan 0.000 0.554 331 V N -0.781 119.020 119.914 -0.189 0.000 3.573 331 V HA 0.474 4.594 4.120 0.000 0.000 0.270 331 V C 1.398 177.377 176.094 -0.191 0.000 1.221 331 V CA 1.047 63.189 62.300 -0.265 0.000 1.163 331 V CB -0.403 31.116 31.823 -0.506 0.000 0.847 331 V HN 0.971 nan 8.190 nan 0.000 0.468 332 V N 1.799 121.678 119.914 -0.059 0.000 2.686 332 V HA 0.740 4.860 4.120 0.000 0.000 0.295 332 V C 0.866 177.021 176.094 0.103 0.000 1.055 332 V CA 0.741 63.069 62.300 0.047 0.000 1.050 332 V CB 0.580 32.475 31.823 0.121 0.000 0.984 332 V HN 0.612 nan 8.190 nan 0.000 0.482 333 G N 2.578 111.457 108.800 0.132 0.000 2.718 333 G HA2 0.614 4.574 3.960 0.000 0.000 0.295 333 G HA3 0.614 4.574 3.960 0.000 0.000 0.295 333 G C -2.204 172.910 174.900 0.357 0.000 1.421 333 G CA -0.448 44.731 45.100 0.132 0.000 0.902 333 G HN 0.599 nan 8.290 nan 0.000 0.501 334 Y N 0.400 120.793 120.300 0.155 0.000 2.376 334 Y HA 0.405 4.955 4.550 0.000 0.000 0.321 334 Y C -0.210 175.743 175.900 0.088 0.000 1.189 334 Y CA -0.799 57.406 58.100 0.174 0.000 1.069 334 Y CB 1.813 40.361 38.460 0.147 0.000 1.292 334 Y HN 0.703 nan 8.280 nan 0.000 0.430 335 E N 3.894 123.943 120.200 -0.251 0.000 2.493 335 E HA 0.324 4.674 4.350 0.000 0.000 0.255 335 E C 1.023 177.596 176.600 -0.046 0.000 0.999 335 E CA 1.685 57.994 56.400 -0.151 0.000 0.934 335 E CB 0.075 29.649 29.700 -0.211 0.000 0.940 335 E HN 1.070 nan 8.360 nan 0.000 0.473 336 G N 2.551 111.364 108.800 0.021 0.000 2.195 336 G HA2 -0.285 3.675 3.960 0.000 0.000 0.246 336 G HA3 -0.285 3.675 3.960 0.000 0.000 0.246 336 G C 0.103 175.041 174.900 0.064 0.000 0.984 336 G CA 0.044 45.168 45.100 0.040 0.000 0.633 336 G HN 0.852 nan 8.290 nan 0.000 0.525 337 A N 0.260 123.154 122.820 0.124 0.000 2.305 337 A HA 0.727 5.047 4.320 0.000 0.000 0.322 337 A C 0.369 177.966 177.584 0.021 0.000 1.187 337 A CA -0.318 51.756 52.037 0.062 0.000 0.825 337 A CB 0.636 19.727 19.000 0.152 0.000 1.164 337 A HN 0.329 nan 8.150 nan 0.000 0.498 338 K N 1.512 121.839 120.400 -0.122 0.000 2.416 338 K HA 0.149 4.469 4.320 0.000 0.000 0.283 338 K C -0.619 176.041 176.600 0.100 0.000 1.037 338 K CA 0.260 56.504 56.287 -0.072 0.000 0.995 338 K CB 0.259 32.595 32.500 -0.273 0.000 0.938 338 K HN 0.797 nan 8.250 nan 0.000 0.475 339 H N 2.930 122.038 119.070 0.063 0.000 2.467 339 H HA 0.231 4.787 4.556 0.000 0.000 0.326 339 H C -0.604 174.791 175.328 0.111 0.000 1.094 339 H CA -0.721 55.383 56.048 0.092 0.000 1.253 339 H CB 0.613 30.406 29.762 0.052 0.000 1.439 339 H HN 0.332 nan 8.280 nan 0.000 0.479 340 I N 4.676 125.031 120.570 -0.359 0.000 2.301 340 I HA 0.251 4.421 4.170 0.000 0.000 0.292 340 I C 0.798 176.699 176.117 -0.360 0.000 1.046 340 I CA -0.373 60.789 61.300 -0.229 0.000 1.282 340 I CB 0.030 37.975 38.000 -0.090 0.000 1.409 340 I HN 0.717 nan 8.210 nan 0.000 0.484 341 A N 6.216 128.949 122.820 -0.145 0.000 2.448 341 A HA 0.131 4.451 4.320 0.000 0.000 0.239 341 A C 0.220 177.758 177.584 -0.077 0.000 1.080 341 A CA -0.353 51.660 52.037 -0.041 0.000 0.779 341 A CB 0.084 19.089 19.000 0.008 0.000 1.026 341 A HN 0.660 nan 8.150 nan 0.000 0.499 342 D N 0.724 121.118 120.400 -0.010 0.000 2.449 342 D HA 0.196 4.836 4.640 0.000 0.000 0.236 342 D C 0.813 177.088 176.300 -0.041 0.000 1.149 342 D CA 0.431 54.422 54.000 -0.015 0.000 0.878 342 D CB 0.440 41.253 40.800 0.022 0.000 1.198 342 D HN 0.576 nan 8.370 nan 0.000 0.446 343 R N 1.298 121.771 120.500 -0.044 0.000 2.594 343 R HA 0.397 4.737 4.340 0.000 0.000 0.272 343 R C -2.322 173.967 176.300 -0.019 0.000 1.074 343 R CA -1.232 54.839 56.100 -0.049 0.000 1.105 343 R CB -0.504 29.773 30.300 -0.039 0.000 1.008 343 R HN 0.146 nan 8.270 nan 0.000 0.472 344 P HA 0.082 nan 4.420 nan 0.000 0.274 344 P C -0.681 176.620 177.300 0.002 0.000 1.237 344 P CA -0.453 62.643 63.100 -0.007 0.000 0.793 344 P CB 0.573 32.266 31.700 -0.011 0.000 0.977 345 A N 1.253 124.077 122.820 0.007 0.000 2.546 345 A HA 0.403 4.723 4.320 0.000 0.000 0.243 345 A C 1.524 179.113 177.584 0.009 0.000 1.063 345 A CA 0.737 52.781 52.037 0.011 0.000 0.757 345 A CB -1.450 17.556 19.000 0.011 0.000 0.991 345 A HN 0.937 nan 8.150 nan 0.000 0.503 346 G N 1.377 110.185 108.800 0.013 0.000 2.212 346 G HA2 -0.045 3.915 3.960 0.000 0.000 0.266 346 G HA3 -0.045 3.915 3.960 0.000 0.000 0.266 346 G C 0.954 175.862 174.900 0.014 0.000 0.978 346 G CA 0.872 45.980 45.100 0.013 0.000 0.632 346 G HN 1.913 nan 8.290 nan 0.000 0.537 347 G N -0.688 108.118 108.800 0.008 0.000 2.857 347 G HA2 0.930 4.890 3.960 0.000 0.000 0.217 347 G HA3 0.930 4.890 3.960 0.000 0.000 0.217 347 G C -0.172 174.727 174.900 -0.003 0.000 1.357 347 G CA 0.320 45.420 45.100 -0.000 0.000 1.033 347 G HN 1.593 nan 8.290 nan 0.000 0.571 348 A N -1.045 121.758 122.820 -0.029 0.000 2.469 348 A HA 0.738 5.058 4.320 0.000 0.000 0.299 348 A C -0.256 177.244 177.584 -0.140 0.000 1.098 348 A CA -0.685 51.320 52.037 -0.055 0.000 0.737 348 A CB 1.360 20.339 19.000 -0.035 0.000 1.312 348 A HN 0.524 nan 8.150 nan 0.000 0.414 349 K N 0.421 120.675 120.400 -0.245 0.000 2.219 349 K HA 0.241 4.561 4.320 0.000 0.000 0.258 349 K C -1.010 175.236 176.600 -0.589 0.000 1.008 349 K CA -0.163 55.840 56.287 -0.473 0.000 0.928 349 K CB 0.495 32.554 32.500 -0.735 0.000 0.983 349 K HN 0.640 nan 8.250 nan 0.000 0.484 350 D N 1.607 121.673 120.400 -0.557 0.000 2.454 350 D HA 0.140 4.781 4.640 0.000 0.000 0.225 350 D C -0.737 175.315 176.300 -0.413 0.000 1.081 350 D CA -0.438 53.334 54.000 -0.379 0.000 0.864 350 D CB 0.232 40.916 40.800 -0.194 0.000 1.040 350 D HN 0.259 nan 8.370 nan 0.000 0.517 351 F N 1.450 121.338 119.950 -0.103 0.000 2.639 351 F HA 0.065 4.592 4.527 -0.000 0.000 0.300 351 F C 2.404 178.115 175.800 -0.150 0.000 1.109 351 F CA -0.192 57.714 58.000 -0.157 0.000 1.335 351 F CB -0.284 38.610 39.000 -0.177 0.000 1.014 351 F HN 0.324 nan 8.300 nan 0.000 0.537 352 S N 0.167 115.882 115.700 0.026 0.000 2.383 352 S HA -0.239 4.231 4.470 0.000 0.000 0.229 352 S C 2.354 176.950 174.600 -0.006 0.000 1.030 352 S CA 1.059 59.262 58.200 0.004 0.000 1.002 352 S CB -0.659 62.537 63.200 -0.006 0.000 0.829 352 S HN 0.273 nan 8.310 nan 0.000 0.467 353 A N 1.633 124.453 122.820 -0.000 0.000 1.930 353 A HA 0.163 4.483 4.320 0.000 0.000 0.217 353 A C 2.185 179.746 177.584 -0.037 0.000 1.175 353 A CA 1.331 53.384 52.037 0.027 0.000 0.627 353 A CB -0.753 18.317 19.000 0.117 0.000 0.815 353 A HN 0.475 nan 8.150 nan 0.000 0.443 354 L N -0.284 120.802 121.223 -0.228 0.000 2.083 354 L HA -0.134 4.206 4.340 0.000 0.000 0.209 354 L C 2.339 179.118 176.870 -0.152 0.000 1.083 354 L CA 1.409 56.025 54.840 -0.373 0.000 0.752 354 L CB -0.526 41.196 42.059 -0.561 0.000 0.899 354 L HN 0.373 nan 8.230 nan 0.000 0.433 355 I N -0.755 119.756 120.570 -0.097 0.000 2.202 355 I HA -0.289 3.881 4.170 0.000 0.000 0.242 355 I C 2.643 178.742 176.117 -0.030 0.000 1.091 355 I CA 1.163 62.429 61.300 -0.057 0.000 1.368 355 I CB -0.543 37.433 38.000 -0.040 0.000 1.058 355 I HN 0.224 nan 8.210 nan 0.000 0.410 356 A N 0.052 122.862 122.820 -0.016 0.000 1.902 356 A HA -0.290 4.030 4.320 0.000 0.000 0.217 356 A C 2.319 179.909 177.584 0.010 0.000 1.181 356 A CA 1.909 53.947 52.037 0.001 0.000 0.623 356 A CB -0.707 18.299 19.000 0.012 0.000 0.818 356 A HN 0.514 nan 8.150 nan 0.000 0.443 357 Q N -0.660 119.155 119.800 0.025 0.000 2.079 357 Q HA -0.079 4.261 4.340 0.000 0.000 0.200 357 Q C 2.176 178.187 176.000 0.018 0.000 0.974 357 Q CA 1.422 57.252 55.803 0.045 0.000 0.840 357 Q CB -0.348 28.459 28.738 0.115 0.000 0.898 357 Q HN 0.599 nan 8.270 nan 0.000 0.430 358 A N 1.146 123.964 122.820 -0.003 0.000 1.940 358 A HA -0.211 4.109 4.320 0.000 0.000 0.219 358 A C 1.886 179.455 177.584 -0.025 0.000 1.176 358 A CA 1.652 53.678 52.037 -0.019 0.000 0.631 358 A CB -0.401 18.583 19.000 -0.026 0.000 0.814 358 A HN 0.339 nan 8.150 nan 0.000 0.446 359 K N -0.349 120.040 120.400 -0.017 0.000 2.280 359 K HA -0.101 4.219 4.320 0.000 0.000 0.202 359 K C 1.337 177.927 176.600 -0.017 0.000 1.047 359 K CA 1.344 57.621 56.287 -0.017 0.000 0.942 359 K CB -0.084 32.408 32.500 -0.012 0.000 0.739 359 K HN 0.455 nan 8.250 nan 0.000 0.457 360 K N -0.296 120.096 120.400 -0.012 0.000 2.404 360 K HA 0.104 4.424 4.320 0.000 0.000 0.194 360 K C 0.148 176.735 176.600 -0.021 0.000 1.023 360 K CA -0.113 56.168 56.287 -0.011 0.000 1.094 360 K CB 0.445 32.945 32.500 0.000 0.000 0.841 360 K HN 0.036 nan 8.250 nan 0.000 0.523 361 C N 2.050 121.328 119.300 -0.036 0.000 2.365 361 C HA 0.435 4.895 4.460 0.000 0.000 0.349 361 C C -2.140 172.799 174.990 -0.084 0.000 1.191 361 C CA -1.839 57.143 59.018 -0.060 0.000 2.114 361 C CB 1.077 28.770 27.740 -0.078 0.000 2.367 361 C HN 0.225 nan 8.230 nan 0.000 0.530 362 P HA 0.326 nan 4.420 nan 0.000 0.274 362 P C -2.645 174.548 177.300 -0.178 0.000 1.246 362 P CA -1.141 61.894 63.100 -0.108 0.000 0.795 362 P CB -0.477 31.167 31.700 -0.094 0.000 1.006 363 P HA 0.223 nan 4.420 nan 0.000 0.272 363 P C -2.423 174.678 177.300 -0.332 0.000 1.240 363 P CA -1.313 61.651 63.100 -0.226 0.000 0.791 363 P CB -1.277 30.354 31.700 -0.114 0.000 0.978 364 P HA 0.020 nan 4.420 nan 0.000 0.269 364 P C -0.600 176.584 177.300 -0.194 0.000 1.209 364 P CA 0.118 62.864 63.100 -0.590 0.000 0.776 364 P CB 0.211 31.326 31.700 -0.976 0.000 0.876 365 V N 2.787 122.660 119.914 -0.069 0.000 2.555 365 V HA 0.030 4.150 4.120 0.000 0.000 0.286 365 V C 0.918 177.102 176.094 0.150 0.000 1.044 365 V CA -0.028 62.295 62.300 0.040 0.000 1.026 365 V CB 0.011 31.860 31.823 0.044 0.000 0.981 365 V HN 0.551 nan 8.190 nan 0.000 0.480 366 E N 3.802 124.063 120.200 0.101 0.000 2.299 366 E HA 0.161 4.511 4.350 0.000 0.000 0.272 366 E C 0.853 177.480 176.600 0.044 0.000 1.043 366 E CA -0.130 56.334 56.400 0.106 0.000 0.895 366 E CB 0.559 30.303 29.700 0.074 0.000 1.011 366 E HN 0.717 nan 8.360 nan 0.000 0.432 367 I N 1.348 121.906 120.570 -0.021 0.000 4.070 367 I HA 0.282 4.452 4.170 0.000 0.000 0.328 367 I C 0.268 176.337 176.117 -0.079 0.000 1.298 367 I CA -0.260 60.990 61.300 -0.083 0.000 1.173 367 I CB 0.026 37.921 38.000 -0.174 0.000 1.051 367 I HN 0.378 nan 8.210 nan 0.000 0.409 368 E N 1.473 121.638 120.200 -0.058 0.000 2.422 368 E HA 0.488 4.838 4.350 0.000 0.000 0.280 368 E C -1.131 175.472 176.600 0.004 0.000 1.091 368 E CA -0.797 55.584 56.400 -0.031 0.000 0.849 368 E CB 1.622 31.292 29.700 -0.049 0.000 1.353 368 E HN 0.109 nan 8.360 nan 0.000 0.449 369 T N -2.141 112.420 114.554 0.012 0.000 2.901 369 T HA 0.839 5.189 4.350 0.000 0.000 0.293 369 T C 0.592 175.307 174.700 0.024 0.000 1.084 369 T CA -0.026 62.090 62.100 0.027 0.000 1.008 369 T CB 1.617 70.501 68.868 0.026 0.000 1.170 369 T HN 1.472 nan 8.240 nan 0.000 0.509 370 G N 0.814 109.632 108.800 0.030 0.000 2.341 370 G HA2 0.403 4.363 3.960 0.000 0.000 0.196 370 G HA3 0.403 4.363 3.960 0.000 0.000 0.196 370 G C -0.395 174.525 174.900 0.033 0.000 1.231 370 G CA 0.275 45.392 45.100 0.027 0.000 1.155 370 G HN 2.286 nan 8.290 nan 0.000 0.529 371 S N -1.439 114.281 115.700 0.033 0.000 2.615 371 S HA 0.798 5.268 4.470 0.000 0.000 0.269 371 S C -1.122 173.506 174.600 0.046 0.000 1.161 371 S CA -0.557 57.666 58.200 0.039 0.000 0.817 371 S CB 1.954 65.172 63.200 0.031 0.000 1.131 371 S HN 1.275 nan 8.310 nan 0.000 0.467 372 I N 1.226 121.831 120.570 0.059 0.000 2.509 372 I HA 0.549 4.719 4.170 0.000 0.000 0.293 372 I C -1.058 175.114 176.117 0.091 0.000 1.020 372 I CA -1.099 60.244 61.300 0.072 0.000 1.088 372 I CB 2.207 40.255 38.000 0.080 0.000 1.267 372 I HN 0.507 nan 8.210 nan 0.000 0.430 373 V N 4.636 124.602 119.914 0.087 0.000 2.483 373 V HA 0.898 5.018 4.120 0.000 0.000 0.295 373 V C 0.421 176.560 176.094 0.076 0.000 1.035 373 V CA -0.142 62.208 62.300 0.083 0.000 0.896 373 V CB 1.350 33.231 31.823 0.096 0.000 0.986 373 V HN 0.992 nan 8.190 nan 0.000 0.447 374 G N 1.631 110.365 108.800 -0.110 0.000 2.619 374 G HA2 0.624 4.584 3.960 0.000 0.000 0.305 374 G HA3 0.624 4.584 3.960 0.000 0.000 0.305 374 G C 0.178 174.370 174.900 -1.179 0.000 1.330 374 G CA 0.164 44.973 45.100 -0.485 0.000 0.789 374 G HN 1.543 nan 8.290 nan 0.000 0.487 375 G N -1.729 106.166 108.800 -1.508 0.000 2.141 375 G HA2 -0.123 3.837 3.960 0.000 0.000 0.164 375 G HA3 -0.123 3.837 3.960 0.000 0.000 0.164 375 G C 0.062 174.575 174.900 -0.644 0.000 1.009 375 G CA 0.152 44.599 45.100 -1.089 0.000 0.677 375 G HN 0.846 nan 8.290 nan 0.000 0.508 376 F N 2.104 121.877 119.950 -0.296 0.000 2.752 376 F HA 0.647 5.174 4.527 0.000 0.000 0.332 376 F C 1.377 177.122 175.800 -0.092 0.000 1.188 376 F CA 0.061 57.969 58.000 -0.153 0.000 1.296 376 F CB 0.089 39.023 39.000 -0.111 0.000 1.526 376 F HN 0.404 nan 8.300 nan 0.000 0.576 377 A N -0.132 122.679 122.820 -0.015 0.000 2.251 377 A HA 0.216 4.536 4.320 0.000 0.000 0.278 377 A C 1.473 179.065 177.584 0.013 0.000 1.206 377 A CA 0.058 52.099 52.037 0.007 0.000 0.822 377 A CB 0.052 19.011 19.000 -0.068 0.000 1.187 377 A HN 0.731 nan 8.150 nan 0.000 0.504 378 H N -1.764 117.336 119.070 0.051 0.000 2.387 378 H HA -0.173 4.383 4.556 0.000 0.000 0.299 378 H C 1.729 177.084 175.328 0.045 0.000 1.090 378 H CA 2.014 58.081 56.048 0.032 0.000 1.332 378 H CB -0.467 29.302 29.762 0.011 0.000 1.386 378 H HN 0.788 nan 8.280 nan 0.000 0.516 379 H N 0.395 119.268 119.070 -0.328 0.000 2.353 379 H HA -0.149 4.407 4.556 0.000 0.000 0.300 379 H C 2.100 177.375 175.328 -0.087 0.000 1.090 379 H CA 1.979 57.937 56.048 -0.151 0.000 1.327 379 H CB 0.133 29.765 29.762 -0.218 0.000 1.383 379 H HN 0.513 nan 8.280 nan 0.000 0.508 380 Q N 0.621 120.403 119.800 -0.032 0.000 2.079 380 Q HA -0.070 4.270 4.340 0.000 0.000 0.200 380 Q C 2.440 178.419 176.000 -0.036 0.000 0.974 380 Q CA 1.788 57.548 55.803 -0.071 0.000 0.840 380 Q CB -0.347 28.298 28.738 -0.154 0.000 0.898 380 Q HN 0.290 nan 8.270 nan 0.000 0.430 381 V N 0.397 120.328 119.914 0.028 0.000 2.379 381 V HA -0.189 3.931 4.120 0.000 0.000 0.245 381 V C 2.225 178.320 176.094 0.001 0.000 1.044 381 V CA 1.443 63.787 62.300 0.073 0.000 1.036 381 V CB -0.517 31.355 31.823 0.082 0.000 0.664 381 V HN 0.403 nan 8.190 nan 0.000 0.453 382 L N 0.269 121.471 121.223 -0.036 0.000 2.201 382 L HA -0.107 4.233 4.340 0.000 0.000 0.212 382 L C 2.649 179.450 176.870 -0.115 0.000 1.105 382 L CA 1.432 56.232 54.840 -0.067 0.000 0.775 382 L CB -0.932 41.095 42.059 -0.053 0.000 0.913 382 L HN 0.387 nan 8.230 nan 0.000 0.440 383 A N 0.081 122.794 122.820 -0.178 0.000 2.067 383 A HA -0.048 4.272 4.320 0.000 0.000 0.219 383 A C 1.939 179.478 177.584 -0.074 0.000 1.158 383 A CA 1.018 52.955 52.037 -0.167 0.000 0.661 383 A CB -0.321 18.555 19.000 -0.207 0.000 0.801 383 A HN 0.439 nan 8.150 nan 0.000 0.452 384 L N -1.101 120.100 121.223 -0.035 0.000 2.818 384 L HA 0.233 4.573 4.340 0.000 0.000 0.243 384 L C 2.289 179.162 176.870 0.005 0.000 1.185 384 L CA 0.244 55.087 54.840 0.004 0.000 0.988 384 L CB -0.013 42.079 42.059 0.055 0.000 1.292 384 L HN 0.341 nan 8.230 nan 0.000 0.519 385 A N 0.440 123.249 122.820 -0.019 0.000 1.908 385 A HA -0.242 4.078 4.320 0.000 0.000 0.218 385 A C 1.854 179.428 177.584 -0.017 0.000 1.181 385 A CA 2.111 54.136 52.037 -0.021 0.000 0.627 385 A CB -0.280 18.692 19.000 -0.046 0.000 0.818 385 A HN 0.349 nan 8.150 nan 0.000 0.445 386 D N -0.596 119.790 120.400 -0.023 0.000 2.104 386 D HA -0.165 4.475 4.640 0.000 0.000 0.194 386 D C 1.899 178.201 176.300 0.003 0.000 0.994 386 D CA 1.683 55.672 54.000 -0.020 0.000 0.830 386 D CB -0.273 40.514 40.800 -0.021 0.000 0.959 386 D HN 0.614 nan 8.370 nan 0.000 0.452 387 K N 0.589 120.996 120.400 0.012 0.000 2.057 387 K HA -0.101 4.219 4.320 0.000 0.000 0.207 387 K C 1.996 178.623 176.600 0.045 0.000 1.049 387 K CA 0.814 57.116 56.287 0.025 0.000 0.931 387 K CB 0.014 32.530 32.500 0.027 0.000 0.714 387 K HN -0.059 nan 8.250 nan 0.000 0.440 388 V N 0.679 120.630 119.914 0.062 0.000 2.307 388 V HA -0.217 3.903 4.120 0.000 0.000 0.245 388 V C 2.321 178.502 176.094 0.144 0.000 1.045 388 V CA 1.488 63.855 62.300 0.113 0.000 1.024 388 V CB -0.165 31.736 31.823 0.130 0.000 0.651 388 V HN 0.158 nan 8.190 nan 0.000 0.449 389 V N 0.397 120.373 119.914 0.104 0.000 2.343 389 V HA -0.247 3.873 4.120 0.000 0.000 0.247 389 V C 2.675 178.845 176.094 0.127 0.000 1.051 389 V CA 2.231 64.603 62.300 0.120 0.000 1.036 389 V CB -0.642 31.151 31.823 -0.049 0.000 0.654 389 V HN 0.677 nan 8.190 nan 0.000 0.451 390 E N 0.970 121.210 120.200 0.067 0.000 2.110 390 E HA -0.218 4.132 4.350 0.000 0.000 0.193 390 E C 2.163 178.797 176.600 0.057 0.000 0.988 390 E CA 1.745 58.177 56.400 0.054 0.000 0.804 390 E CB -0.156 29.561 29.700 0.027 0.000 0.745 390 E HN 0.519 nan 8.360 nan 0.000 0.458 391 A N 0.811 123.664 122.820 0.055 0.000 1.930 391 A HA -0.074 4.246 4.320 0.000 0.000 0.217 391 A C 2.567 180.164 177.584 0.022 0.000 1.175 391 A CA 1.368 53.421 52.037 0.025 0.000 0.627 391 A CB -0.553 18.454 19.000 0.012 0.000 0.815 391 A HN 0.189 nan 8.150 nan 0.000 0.443 392 V N 0.163 120.126 119.914 0.083 0.000 2.307 392 V HA -0.258 3.863 4.120 0.000 0.000 0.245 392 V C 2.420 178.554 176.094 0.066 0.000 1.045 392 V CA 2.324 64.668 62.300 0.074 0.000 1.024 392 V CB -0.645 31.308 31.823 0.216 0.000 0.651 392 V HN 0.540 nan 8.190 nan 0.000 0.449 393 K N 0.860 121.338 120.400 0.131 0.000 2.097 393 K HA -0.139 4.181 4.320 0.000 0.000 0.206 393 K C 2.316 178.942 176.600 0.043 0.000 1.049 393 K CA 1.699 58.049 56.287 0.106 0.000 0.933 393 K CB -0.329 32.248 32.500 0.128 0.000 0.717 393 K HN 0.626 nan 8.250 nan 0.000 0.442 394 S N -0.658 115.058 115.700 0.027 0.000 2.481 394 S HA 0.022 4.492 4.470 0.000 0.000 0.231 394 S C 1.544 176.136 174.600 -0.014 0.000 0.996 394 S CA 0.780 58.983 58.200 0.005 0.000 0.942 394 S CB 0.105 63.306 63.200 0.002 0.000 0.768 394 S HN 0.463 nan 8.310 nan 0.000 0.520 395 G N 0.464 109.248 108.800 -0.026 0.000 2.175 395 G HA2 -0.202 3.758 3.960 0.000 0.000 0.244 395 G HA3 -0.202 3.758 3.960 0.000 0.000 0.244 395 G C 0.999 175.859 174.900 -0.067 0.000 0.982 395 G CA 0.263 45.333 45.100 -0.050 0.000 0.641 395 G HN 1.183 nan 8.290 nan 0.000 0.527 396 A N -0.424 122.361 122.820 -0.058 0.000 1.933 396 A HA 0.398 4.718 4.320 0.000 0.000 0.218 396 A C 1.237 178.753 177.584 -0.113 0.000 1.175 396 A CA 1.472 53.467 52.037 -0.070 0.000 0.628 396 A CB -0.096 18.873 19.000 -0.052 0.000 0.814 396 A HN 0.882 nan 8.150 nan 0.000 0.444 397 I N -0.563 119.919 120.570 -0.146 0.000 2.359 397 I HA 0.177 4.347 4.170 0.000 0.000 0.284 397 I C 0.975 176.934 176.117 -0.264 0.000 1.018 397 I CA -0.294 60.848 61.300 -0.263 0.000 1.173 397 I CB 1.716 39.486 38.000 -0.384 0.000 1.326 397 I HN 0.220 nan 8.210 nan 0.000 0.462 398 K N 5.832 126.087 120.400 -0.241 0.000 2.186 398 K HA 0.160 4.480 4.320 0.000 0.000 0.202 398 K C 0.682 177.146 176.600 -0.227 0.000 1.052 398 K CA 0.705 56.876 56.287 -0.194 0.000 0.965 398 K CB 0.574 32.988 32.500 -0.142 0.000 0.746 398 K HN 0.581 nan 8.250 nan 0.000 0.457 399 R N -0.608 119.700 120.500 -0.320 0.000 2.634 399 R HA 0.218 4.558 4.340 0.000 0.000 0.263 399 R C -1.809 174.248 176.300 -0.406 0.000 1.060 399 R CA -0.618 55.318 56.100 -0.274 0.000 0.898 399 R CB 0.752 30.965 30.300 -0.145 0.000 1.253 399 R HN -0.117 nan 8.270 nan 0.000 0.461 400 F N 2.241 122.119 119.950 -0.119 0.000 2.421 400 F HA 0.516 5.043 4.527 0.000 0.000 0.337 400 F C -0.133 175.565 175.800 -0.170 0.000 1.105 400 F CA -0.746 57.171 58.000 -0.138 0.000 1.049 400 F CB 2.191 41.108 39.000 -0.138 0.000 1.139 400 F HN 0.029 nan 8.300 nan 0.000 0.479 401 V N 4.110 124.026 119.914 0.003 0.000 2.350 401 V HA 0.264 4.384 4.120 0.000 0.000 0.285 401 V C -0.398 175.651 176.094 -0.076 0.000 1.014 401 V CA -0.918 61.341 62.300 -0.069 0.000 0.831 401 V CB 1.411 33.189 31.823 -0.075 0.000 1.000 401 V HN 0.499 nan 8.190 nan 0.000 0.433 402 V N 7.167 126.993 119.914 -0.146 0.000 2.415 402 V HA 0.197 4.317 4.120 0.000 0.000 0.267 402 V C 0.791 176.915 176.094 0.050 0.000 1.042 402 V CA 0.463 62.721 62.300 -0.071 0.000 1.000 402 V CB 0.703 32.435 31.823 -0.151 0.000 1.015 402 V HN 0.892 nan 8.190 nan 0.000 0.478 403 M N 4.033 123.679 119.600 0.076 0.000 2.589 403 M HA 0.360 4.840 4.480 0.000 0.000 0.344 403 M C 0.774 177.215 176.300 0.234 0.000 1.168 403 M CA -0.178 55.212 55.300 0.150 0.000 0.956 403 M CB 0.721 33.333 32.600 0.020 0.000 1.370 403 M HN 0.665 nan 8.290 nan 0.000 0.518 404 A N 0.745 123.686 122.820 0.202 0.000 2.429 404 A HA 0.711 5.031 4.320 0.000 0.000 0.242 404 A C 0.861 178.563 177.584 0.196 0.000 1.088 404 A CA 0.862 53.022 52.037 0.204 0.000 0.784 404 A CB -0.035 19.078 19.000 0.190 0.000 1.038 404 A HN 0.636 nan 8.150 nan 0.000 0.501 405 G N -1.768 107.153 108.800 0.203 0.000 2.260 405 G HA2 0.301 4.261 3.960 0.000 0.000 0.250 405 G HA3 0.301 4.261 3.960 0.000 0.000 0.250 405 G C -0.882 174.159 174.900 0.236 0.000 1.340 405 G CA -0.173 45.059 45.100 0.221 0.000 1.056 405 G HN 1.476 nan 8.290 nan 0.000 0.471 406 C N 0.354 119.808 119.300 0.257 0.000 2.498 406 C HA 0.746 5.206 4.460 0.000 0.000 0.316 406 C C 0.127 175.283 174.990 0.277 0.000 1.209 406 C CA -0.481 58.727 59.018 0.318 0.000 1.518 406 C CB 1.109 29.083 27.740 0.389 0.000 2.147 406 C HN 0.835 nan 8.230 nan 0.000 0.483 407 D N 0.277 120.871 120.400 0.322 0.000 2.411 407 D HA 0.698 5.338 4.640 0.000 0.000 0.251 407 D C 0.357 176.775 176.300 0.197 0.000 1.201 407 D CA 0.642 54.774 54.000 0.220 0.000 0.996 407 D CB 1.332 42.279 40.800 0.245 0.000 1.101 407 D HN 0.873 nan 8.370 nan 0.000 0.504 408 G N -0.815 107.891 108.800 -0.156 0.000 2.606 408 G HA2 0.293 4.253 3.960 0.000 0.000 0.300 408 G HA3 0.293 4.253 3.960 0.000 0.000 0.300 408 G C -0.090 174.121 174.900 -1.149 0.000 1.360 408 G CA -0.624 44.164 45.100 -0.519 0.000 0.783 408 G HN 0.427 nan 8.290 nan 0.000 0.484 409 R N -0.314 119.525 120.500 -1.101 0.000 2.210 409 R HA 0.153 4.493 4.340 0.000 0.000 0.203 409 R C 0.759 176.576 176.300 -0.805 0.000 1.010 409 R CA 0.012 55.284 56.100 -1.381 0.000 1.008 409 R CB 0.053 29.875 30.300 -0.797 0.000 0.923 409 R HN 0.450 nan 8.270 nan 0.000 0.469 410 Q N 2.291 121.820 119.800 -0.451 0.000 2.330 410 Q HA -0.043 4.297 4.340 0.000 0.000 0.279 410 Q C 0.806 176.671 176.000 -0.225 0.000 1.024 410 Q CA 0.207 55.858 55.803 -0.254 0.000 0.900 410 Q CB 0.902 29.559 28.738 -0.134 0.000 1.221 410 Q HN 0.288 nan 8.270 nan 0.000 0.396 411 K N 0.352 120.656 120.400 -0.159 0.000 2.280 411 K HA -0.159 4.162 4.320 0.000 0.000 0.202 411 K C 1.637 178.211 176.600 -0.043 0.000 1.047 411 K CA 1.660 57.885 56.287 -0.103 0.000 0.942 411 K CB -0.058 32.401 32.500 -0.067 0.000 0.739 411 K HN 0.543 nan 8.250 nan 0.000 0.457 412 S N 1.331 117.011 115.700 -0.034 0.000 2.440 412 S HA -0.127 4.343 4.470 0.000 0.000 0.238 412 S C 1.803 176.433 174.600 0.050 0.000 1.010 412 S CA 0.752 58.951 58.200 -0.002 0.000 0.972 412 S CB -0.365 62.824 63.200 -0.018 0.000 0.774 412 S HN 0.412 nan 8.310 nan 0.000 0.501 413 R N 1.605 122.149 120.500 0.073 0.000 2.328 413 R HA 0.024 4.364 4.340 0.000 0.000 0.207 413 R C 2.454 178.900 176.300 0.244 0.000 1.056 413 R CA 0.906 57.149 56.100 0.238 0.000 1.016 413 R CB -0.488 29.921 30.300 0.181 0.000 0.872 413 R HN 0.762 nan 8.270 nan 0.000 0.471 414 S N 0.125 115.902 115.700 0.127 0.000 2.440 414 S HA -0.271 4.199 4.470 0.000 0.000 0.238 414 S C 1.780 176.443 174.600 0.106 0.000 1.010 414 S CA 0.995 59.262 58.200 0.112 0.000 0.972 414 S CB -0.536 62.701 63.200 0.063 0.000 0.774 414 S HN 0.538 nan 8.310 nan 0.000 0.501 415 Y N 1.952 122.212 120.300 -0.068 0.000 2.139 415 Y HA -0.305 4.245 4.550 0.000 0.000 0.282 415 Y C 1.925 177.710 175.900 -0.192 0.000 1.179 415 Y CA 1.839 59.823 58.100 -0.194 0.000 1.161 415 Y CB -0.748 37.487 38.460 -0.374 0.000 0.970 415 Y HN 0.264 nan 8.280 nan 0.000 0.511 416 Y N -0.241 120.177 120.300 0.197 0.000 2.242 416 Y HA -0.171 4.379 4.550 -0.000 0.000 0.291 416 Y C 2.688 178.661 175.900 0.122 0.000 1.137 416 Y CA 1.762 59.953 58.100 0.152 0.000 1.181 416 Y CB -1.091 37.574 38.460 0.342 0.000 0.989 416 Y HN 0.065 nan 8.280 nan 0.000 0.527 417 T N -0.174 114.538 114.554 0.264 0.000 2.746 417 T HA -0.179 4.171 4.350 0.000 0.000 0.267 417 T C 1.625 176.361 174.700 0.059 0.000 1.039 417 T CA 1.749 63.965 62.100 0.194 0.000 1.142 417 T CB -0.239 68.721 68.868 0.153 0.000 0.866 417 T HN 0.420 nan 8.240 nan 0.000 0.444 418 E N 0.378 120.564 120.200 -0.023 0.000 2.106 418 E HA -0.062 4.288 4.350 0.000 0.000 0.192 418 E C 2.369 178.873 176.600 -0.159 0.000 0.984 418 E CA 0.680 57.029 56.400 -0.085 0.000 0.806 418 E CB -0.198 29.447 29.700 -0.090 0.000 0.750 418 E HN 0.217 nan 8.360 nan 0.000 0.458 419 V N 1.514 121.255 119.914 -0.288 0.000 2.295 419 V HA -0.306 3.814 4.120 0.000 0.000 0.246 419 V C 2.360 178.351 176.094 -0.173 0.000 1.049 419 V CA 1.962 64.085 62.300 -0.295 0.000 1.024 419 V CB -0.747 30.811 31.823 -0.442 0.000 0.648 419 V HN 0.337 nan 8.190 nan 0.000 0.447 420 A N -0.479 122.261 122.820 -0.133 0.000 1.908 420 A HA -0.275 4.045 4.320 0.000 0.000 0.218 420 A C 2.150 179.689 177.584 -0.075 0.000 1.181 420 A CA 2.069 54.028 52.037 -0.131 0.000 0.627 420 A CB -0.510 18.431 19.000 -0.099 0.000 0.818 420 A HN 0.650 nan 8.150 nan 0.000 0.445 421 E N -0.468 119.706 120.200 -0.043 0.000 2.208 421 E HA -0.085 4.265 4.350 0.000 0.000 0.193 421 E C 1.011 177.582 176.600 -0.049 0.000 0.988 421 E CA 0.890 57.272 56.400 -0.030 0.000 0.828 421 E CB -0.054 29.639 29.700 -0.013 0.000 0.763 421 E HN 0.578 nan 8.360 nan 0.000 0.478 422 N N 0.078 118.736 118.700 -0.070 0.000 2.205 422 N HA 0.090 4.830 4.740 0.000 0.000 0.201 422 N C 0.112 175.576 175.510 -0.076 0.000 1.128 422 N CA 0.001 53.010 53.050 -0.069 0.000 0.867 422 N CB 0.811 39.255 38.487 -0.072 0.000 0.996 422 N HN 0.082 nan 8.380 nan 0.000 0.503 423 L N 2.545 123.713 121.223 -0.091 0.000 2.483 423 L HA 0.099 4.439 4.340 0.000 0.000 0.276 423 L C -1.826 174.995 176.870 -0.081 0.000 1.213 423 L CA -1.147 53.637 54.840 -0.092 0.000 0.843 423 L CB -0.047 41.946 42.059 -0.111 0.000 1.107 423 L HN -0.147 nan 8.230 nan 0.000 0.487 424 P HA 0.001 nan 4.420 nan 0.000 0.268 424 P C -0.195 177.055 177.300 -0.082 0.000 1.208 424 P CA -0.089 62.967 63.100 -0.074 0.000 0.777 424 P CB 0.406 32.062 31.700 -0.074 0.000 0.875 425 K N 1.028 121.384 120.400 -0.072 0.000 2.555 425 K HA -0.074 4.246 4.320 0.000 0.000 0.193 425 K C 0.276 176.822 176.600 -0.089 0.000 1.032 425 K CA 0.987 57.230 56.287 -0.074 0.000 1.004 425 K CB -0.258 32.207 32.500 -0.057 0.000 0.804 425 K HN 0.568 nan 8.250 nan 0.000 0.496 426 D N 0.582 120.922 120.400 -0.101 0.000 2.525 426 D HA -0.030 4.610 4.640 0.000 0.000 0.229 426 D C 0.102 176.299 176.300 -0.172 0.000 1.202 426 D CA -0.244 53.682 54.000 -0.124 0.000 0.828 426 D CB -0.061 40.674 40.800 -0.108 0.000 1.008 426 D HN -0.043 nan 8.370 nan 0.000 0.493 427 T N -2.888 111.564 114.554 -0.171 0.000 2.912 427 T HA 0.679 5.029 4.350 0.000 0.000 0.288 427 T C -0.333 174.240 174.700 -0.213 0.000 1.030 427 T CA -0.850 61.119 62.100 -0.218 0.000 1.020 427 T CB 2.142 70.907 68.868 -0.172 0.000 1.056 427 T HN -0.122 nan 8.240 nan 0.000 0.480 428 V N 2.470 122.228 119.914 -0.259 0.000 2.540 428 V HA 0.459 4.579 4.120 0.000 0.000 0.302 428 V C -0.166 175.885 176.094 -0.071 0.000 1.035 428 V CA -0.974 61.227 62.300 -0.165 0.000 0.873 428 V CB 1.540 33.270 31.823 -0.155 0.000 0.992 428 V HN 0.875 nan 8.190 nan 0.000 0.428 429 I N 5.513 126.031 120.570 -0.086 0.000 2.365 429 I HA 0.349 4.519 4.170 0.000 0.000 0.291 429 I C -0.399 175.701 176.117 -0.028 0.000 1.004 429 I CA -0.136 61.107 61.300 -0.095 0.000 1.311 429 I CB 0.982 38.850 38.000 -0.221 0.000 1.401 429 I HN 0.335 nan 8.210 nan 0.000 0.491 430 L N 6.054 127.278 121.223 0.002 0.000 2.296 430 L HA 0.573 4.913 4.340 0.000 0.000 0.286 430 L C 0.028 176.936 176.870 0.064 0.000 1.023 430 L CA -0.197 54.654 54.840 0.019 0.000 0.812 430 L CB 1.663 43.714 42.059 -0.013 0.000 1.223 430 L HN 0.563 nan 8.230 nan 0.000 0.421 431 T N 1.944 116.563 114.554 0.108 0.000 2.883 431 T HA 0.903 5.253 4.350 0.000 0.000 0.296 431 T C -1.642 173.153 174.700 0.159 0.000 1.117 431 T CA -0.335 61.870 62.100 0.175 0.000 1.006 431 T CB 2.054 71.099 68.868 0.295 0.000 1.191 431 T HN 0.794 nan 8.240 nan 0.000 0.508 432 A N 0.715 123.638 122.820 0.171 0.000 2.590 432 A HA 0.763 5.083 4.320 0.000 0.000 0.296 432 A C 0.123 177.816 177.584 0.182 0.000 1.050 432 A CA 0.192 52.332 52.037 0.172 0.000 0.697 432 A CB 0.604 19.708 19.000 0.173 0.000 1.277 432 A HN 2.264 nan 8.150 nan 0.000 0.411 433 G N -0.963 107.951 108.800 0.189 0.000 2.781 433 G HA2 0.118 4.078 3.960 0.000 0.000 0.683 433 G HA3 0.118 4.078 3.960 0.000 0.000 0.683 433 G C 1.019 176.033 174.900 0.189 0.000 1.390 433 G CA -0.001 45.234 45.100 0.224 0.000 0.850 433 G HN 2.551 nan 8.290 nan 0.000 0.557 434 C N -0.332 119.129 119.300 0.269 0.000 2.449 434 C HA 0.441 4.901 4.460 0.000 0.000 0.283 434 C C 3.118 178.262 174.990 0.256 0.000 1.453 434 C CA 1.107 60.334 59.018 0.348 0.000 1.779 434 C CB -1.707 26.316 27.740 0.471 0.000 1.779 434 C HN 2.176 nan 8.230 nan 0.000 0.546 435 A N 2.986 125.906 122.820 0.167 0.000 2.032 435 A HA -0.238 4.082 4.320 0.000 0.000 0.221 435 A C 2.355 179.838 177.584 -0.168 0.000 1.165 435 A CA 2.176 54.245 52.037 0.054 0.000 0.645 435 A CB -0.711 18.330 19.000 0.069 0.000 0.807 435 A HN 0.901 nan 8.150 nan 0.000 0.453 436 K N -1.632 118.634 120.400 -0.223 0.000 2.160 436 K HA -0.229 4.091 4.320 0.000 0.000 0.206 436 K C 1.456 177.612 176.600 -0.740 0.000 1.047 436 K CA 1.901 57.839 56.287 -0.582 0.000 0.930 436 K CB -0.640 31.654 32.500 -0.344 0.000 0.720 436 K HN 0.468 nan 8.250 nan 0.000 0.450 437 Y N 1.237 121.349 120.300 -0.314 0.000 2.574 437 Y HA 0.038 4.588 4.550 0.000 0.000 0.294 437 Y C 2.116 177.885 175.900 -0.219 0.000 1.142 437 Y CA 0.531 58.495 58.100 -0.226 0.000 1.314 437 Y CB 0.045 38.410 38.460 -0.159 0.000 0.991 437 Y HN 0.023 nan 8.280 nan 0.000 0.555 438 R N -0.363 120.023 120.500 -0.191 0.000 2.280 438 R HA -0.079 4.261 4.340 0.000 0.000 0.207 438 R C 0.080 176.378 176.300 -0.003 0.000 1.043 438 R CA 0.958 57.040 56.100 -0.031 0.000 1.006 438 R CB -0.308 30.074 30.300 0.137 0.000 0.885 438 R HN 0.646 nan 8.270 nan 0.000 0.467 439 Y N -2.936 117.414 120.300 0.083 0.000 2.957 439 Y HA 0.243 4.793 4.550 -0.000 0.000 0.274 439 Y C 0.404 176.316 175.900 0.020 0.000 1.065 439 Y CA -0.925 57.205 58.100 0.050 0.000 1.273 439 Y CB -1.119 37.370 38.460 0.049 0.000 1.358 439 Y HN -0.017 nan 8.280 nan 0.000 0.585 440 N N 1.083 119.747 118.700 -0.059 0.000 2.336 440 N HA 0.104 4.844 4.740 0.000 0.000 0.189 440 N C 0.400 175.920 175.510 0.017 0.000 1.113 440 N CA -0.214 52.830 53.050 -0.011 0.000 0.858 440 N CB 0.117 38.517 38.487 -0.147 0.000 0.970 440 N HN 0.250 nan 8.380 nan 0.000 0.471 441 K N 0.808 121.228 120.400 0.034 0.000 2.646 441 K HA 0.302 4.622 4.320 0.000 0.000 0.206 441 K C -0.336 176.290 176.600 0.044 0.000 1.069 441 K CA -0.252 56.058 56.287 0.038 0.000 1.067 441 K CB 0.731 33.251 32.500 0.034 0.000 0.807 441 K HN 0.137 nan 8.250 nan 0.000 0.482 442 L N 0.064 121.323 121.223 0.059 0.000 2.569 442 L HA 0.292 4.632 4.340 0.000 0.000 0.247 442 L C 0.377 177.270 176.870 0.038 0.000 1.135 442 L CA -0.800 54.072 54.840 0.053 0.000 0.812 442 L CB 0.427 42.529 42.059 0.073 0.000 1.431 442 L HN 0.027 nan 8.230 nan 0.000 0.499 443 N N -0.200 118.516 118.700 0.026 0.000 2.886 443 N HA 0.276 5.016 4.740 0.000 0.000 0.285 443 N C 0.199 175.713 175.510 0.008 0.000 1.706 443 N CA -0.054 53.005 53.050 0.016 0.000 0.904 443 N CB 0.156 38.650 38.487 0.012 0.000 1.224 443 N HN 0.509 nan 8.380 nan 0.000 0.488 444 L N 0.027 121.254 121.223 0.007 0.000 2.509 444 L HA 0.350 4.690 4.340 0.000 0.000 0.222 444 L C 1.465 178.324 176.870 -0.018 0.000 1.123 444 L CA 0.356 55.190 54.840 -0.009 0.000 0.856 444 L CB -0.866 41.184 42.059 -0.015 0.000 0.985 444 L HN 0.556 nan 8.230 nan 0.000 0.456 445 G N 1.643 110.436 108.800 -0.011 0.000 2.562 445 G HA2 -0.312 3.648 3.960 0.000 0.000 0.250 445 G HA3 -0.312 3.648 3.960 0.000 0.000 0.250 445 G C -0.661 174.224 174.900 -0.025 0.000 1.269 445 G CA 0.183 45.274 45.100 -0.014 0.000 0.919 445 G HN 0.561 nan 8.290 nan 0.000 0.574 446 D N -1.824 118.559 120.400 -0.028 0.000 2.559 446 D HA 0.665 5.305 4.640 0.000 0.000 0.250 446 D C -0.440 175.834 176.300 -0.043 0.000 1.135 446 D CA -1.006 52.972 54.000 -0.038 0.000 0.955 446 D CB 1.444 42.232 40.800 -0.021 0.000 1.442 446 D HN 0.670 nan 8.370 nan 0.000 0.471 447 I N 0.871 121.410 120.570 -0.053 0.000 2.390 447 I HA 0.473 4.643 4.170 0.000 0.000 0.283 447 I C 0.921 177.016 176.117 -0.037 0.000 1.016 447 I CA -0.703 60.565 61.300 -0.053 0.000 1.151 447 I CB 1.419 39.372 38.000 -0.079 0.000 1.293 447 I HN 0.892 nan 8.210 nan 0.000 0.458 448 G N 4.379 113.164 108.800 -0.025 0.000 2.341 448 G HA2 -0.171 3.789 3.960 0.000 0.000 0.292 448 G HA3 -0.171 3.789 3.960 0.000 0.000 0.292 448 G C 1.002 175.899 174.900 -0.004 0.000 1.021 448 G CA 0.686 45.778 45.100 -0.014 0.000 0.905 448 G HN 1.373 nan 8.290 nan 0.000 0.508 449 G N -1.598 107.200 108.800 -0.003 0.000 2.213 449 G HA2 -0.250 3.710 3.960 0.000 0.000 0.236 449 G HA3 -0.250 3.710 3.960 0.000 0.000 0.236 449 G C 0.424 175.335 174.900 0.019 0.000 0.991 449 G CA 0.239 45.346 45.100 0.013 0.000 0.629 449 G HN 1.307 nan 8.290 nan 0.000 0.517 450 I N 3.200 123.765 120.570 -0.009 0.000 2.301 450 I HA 0.294 4.464 4.170 0.000 0.000 0.292 450 I C -1.956 174.105 176.117 -0.093 0.000 1.046 450 I CA -2.167 59.105 61.300 -0.046 0.000 1.282 450 I CB 1.295 39.266 38.000 -0.050 0.000 1.409 450 I HN -0.116 nan 8.210 nan 0.000 0.484 451 P HA 0.068 nan 4.420 nan 0.000 0.267 451 P C 0.276 177.481 177.300 -0.158 0.000 1.200 451 P CA -0.110 62.915 63.100 -0.124 0.000 0.772 451 P CB 0.525 32.155 31.700 -0.117 0.000 0.855 452 R N 0.863 121.301 120.500 -0.103 0.000 2.276 452 R HA 0.073 4.413 4.340 0.000 0.000 0.203 452 R C -0.148 176.093 176.300 -0.098 0.000 1.017 452 R CA 0.578 56.616 56.100 -0.103 0.000 1.010 452 R CB 0.028 30.279 30.300 -0.082 0.000 0.900 452 R HN 0.311 nan 8.270 nan 0.000 0.469 453 V N 2.227 122.090 119.914 -0.085 0.000 2.443 453 V HA 0.290 4.410 4.120 0.000 0.000 0.293 453 V C -0.473 175.552 176.094 -0.115 0.000 1.021 453 V CA -0.598 61.674 62.300 -0.047 0.000 0.848 453 V CB 1.942 33.800 31.823 0.058 0.000 0.998 453 V HN 0.086 nan 8.190 nan 0.000 0.424 454 L N 4.059 125.192 121.223 -0.151 0.000 2.277 454 L HA 0.521 4.861 4.340 0.000 0.000 0.284 454 L C -0.435 176.442 176.870 0.012 0.000 1.028 454 L CA -0.405 54.279 54.840 -0.261 0.000 0.835 454 L CB 1.409 43.196 42.059 -0.454 0.000 1.215 454 L HN 0.534 nan 8.230 nan 0.000 0.425 455 D N 2.556 123.032 120.400 0.126 0.000 2.380 455 D HA 0.317 4.957 4.640 0.000 0.000 0.230 455 D C 0.742 177.134 176.300 0.154 0.000 1.154 455 D CA -0.180 53.908 54.000 0.148 0.000 0.859 455 D CB 2.033 42.925 40.800 0.154 0.000 1.045 455 D HN 0.568 nan 8.370 nan 0.000 0.495 456 A N 2.885 125.800 122.820 0.159 0.000 2.123 456 A HA 0.507 4.827 4.320 0.000 0.000 0.214 456 A C 1.321 179.021 177.584 0.195 0.000 1.152 456 A CA 1.109 53.235 52.037 0.149 0.000 0.728 456 A CB -0.187 18.895 19.000 0.137 0.000 0.814 456 A HN 0.823 nan 8.150 nan 0.000 0.464 457 G N -1.423 107.531 108.800 0.258 0.000 2.217 457 G HA2 0.030 3.990 3.960 0.000 0.000 0.126 457 G HA3 0.030 3.990 3.960 0.000 0.000 0.126 457 G C -0.660 174.374 174.900 0.223 0.000 1.293 457 G CA -0.279 45.000 45.100 0.298 0.000 1.219 457 G HN 0.376 nan 8.290 nan 0.000 0.477 458 Q N -0.306 119.624 119.800 0.217 0.000 2.407 458 Q HA 0.355 4.695 4.340 0.000 0.000 0.214 458 Q C 2.145 178.292 176.000 0.245 0.000 1.043 458 Q CA -0.006 55.932 55.803 0.226 0.000 0.983 458 Q CB 0.962 29.859 28.738 0.264 0.000 1.211 458 Q HN 1.034 nan 8.270 nan 0.000 0.564 459 C N -0.442 119.049 119.300 0.319 0.000 2.413 459 C HA -0.149 4.311 4.460 0.000 0.000 0.277 459 C C 1.811 176.930 174.990 0.214 0.000 1.265 459 C CA 0.809 60.009 59.018 0.303 0.000 1.752 459 C CB -1.429 26.542 27.740 0.385 0.000 1.998 459 C HN 0.874 nan 8.230 nan 0.000 0.489 460 N N 1.824 120.580 118.700 0.093 0.000 2.272 460 N HA -0.164 4.576 4.740 0.000 0.000 0.185 460 N C 0.768 176.257 175.510 -0.035 0.000 1.014 460 N CA 1.697 54.570 53.050 -0.294 0.000 0.870 460 N CB -0.821 37.317 38.487 -0.582 0.000 0.975 460 N HN 0.564 nan 8.380 nan 0.000 0.433 461 D N 0.715 121.176 120.400 0.102 0.000 2.378 461 D HA 0.042 4.682 4.640 0.000 0.000 0.227 461 D C 1.015 177.416 176.300 0.169 0.000 1.012 461 D CA 0.162 54.263 54.000 0.168 0.000 0.905 461 D CB 0.010 40.923 40.800 0.187 0.000 0.895 461 D HN 0.223 nan 8.370 nan 0.000 0.532 462 S N 0.284 116.077 115.700 0.155 0.000 2.419 462 S HA -0.211 4.259 4.470 0.000 0.000 0.235 462 S C 1.655 176.332 174.600 0.128 0.000 1.019 462 S CA 0.405 58.693 58.200 0.146 0.000 0.982 462 S CB -0.300 62.996 63.200 0.160 0.000 0.789 462 S HN 0.415 nan 8.310 nan 0.000 0.490 463 Y N 2.626 122.947 120.300 0.034 0.000 2.114 463 Y HA -0.239 4.311 4.550 -0.000 0.000 0.282 463 Y C 2.541 178.465 175.900 0.041 0.000 1.165 463 Y CA 1.532 59.642 58.100 0.017 0.000 1.148 463 Y CB -0.737 37.714 38.460 -0.014 0.000 0.972 463 Y HN 0.178 nan 8.280 nan 0.000 0.504 464 S N 0.292 116.042 115.700 0.084 0.000 2.383 464 S HA -0.192 4.278 4.470 0.000 0.000 0.229 464 S C 2.044 176.625 174.600 -0.033 0.000 1.030 464 S CA 1.560 59.807 58.200 0.080 0.000 1.002 464 S CB -0.538 62.793 63.200 0.218 0.000 0.829 464 S HN 0.470 nan 8.310 nan 0.000 0.467 465 L N 0.870 122.089 121.223 -0.007 0.000 2.093 465 L HA -0.109 4.231 4.340 0.000 0.000 0.208 465 L C 2.784 179.619 176.870 -0.058 0.000 1.085 465 L CA 1.186 56.016 54.840 -0.017 0.000 0.755 465 L CB -0.758 41.325 42.059 0.041 0.000 0.904 465 L HN 0.316 nan 8.230 nan 0.000 0.435 466 A N -0.133 122.625 122.820 -0.103 0.000 1.898 466 A HA -0.127 4.193 4.320 0.000 0.000 0.216 466 A C 2.355 179.807 177.584 -0.220 0.000 1.181 466 A CA 1.585 53.541 52.037 -0.135 0.000 0.620 466 A CB -0.761 18.142 19.000 -0.162 0.000 0.819 466 A HN 0.181 nan 8.150 nan 0.000 0.442 467 V N 0.247 119.936 119.914 -0.375 0.000 2.343 467 V HA -0.286 3.834 4.120 0.000 0.000 0.247 467 V C 2.421 178.410 176.094 -0.175 0.000 1.051 467 V CA 2.104 64.196 62.300 -0.348 0.000 1.036 467 V CB -0.699 30.804 31.823 -0.533 0.000 0.654 467 V HN 0.577 nan 8.190 nan 0.000 0.451 468 I N 0.369 120.862 120.570 -0.129 0.000 2.179 468 I HA -0.255 3.915 4.170 0.000 0.000 0.242 468 I C 2.668 178.721 176.117 -0.106 0.000 1.088 468 I CA 1.560 62.800 61.300 -0.102 0.000 1.357 468 I CB -0.599 37.334 38.000 -0.111 0.000 1.051 468 I HN 0.290 nan 8.210 nan 0.000 0.409 469 A N 0.864 123.627 122.820 -0.095 0.000 1.902 469 A HA -0.167 4.153 4.320 0.000 0.000 0.217 469 A C 2.297 179.868 177.584 -0.021 0.000 1.181 469 A CA 1.452 53.459 52.037 -0.049 0.000 0.623 469 A CB -0.897 18.112 19.000 0.016 0.000 0.818 469 A HN 0.385 nan 8.150 nan 0.000 0.443 470 L N -0.851 120.346 121.223 -0.042 0.000 2.083 470 L HA -0.204 4.136 4.340 0.000 0.000 0.209 470 L C 2.598 179.452 176.870 -0.027 0.000 1.083 470 L CA 1.770 56.590 54.840 -0.032 0.000 0.752 470 L CB -0.381 41.645 42.059 -0.056 0.000 0.899 470 L HN 0.373 nan 8.230 nan 0.000 0.433 471 K N 0.972 121.346 120.400 -0.044 0.000 2.002 471 K HA -0.153 4.167 4.320 0.000 0.000 0.209 471 K C 1.955 178.540 176.600 -0.024 0.000 1.048 471 K CA 1.659 57.922 56.287 -0.041 0.000 0.930 471 K CB -0.489 31.980 32.500 -0.051 0.000 0.714 471 K HN 0.156 nan 8.250 nan 0.000 0.438 472 L N 0.744 121.968 121.223 0.003 0.000 2.083 472 L HA -0.160 4.180 4.340 0.000 0.000 0.209 472 L C 2.650 179.628 176.870 0.179 0.000 1.083 472 L CA 1.558 56.457 54.840 0.098 0.000 0.752 472 L CB -0.514 41.626 42.059 0.135 0.000 0.899 472 L HN 0.319 nan 8.230 nan 0.000 0.433 473 K N 0.564 121.029 120.400 0.108 0.000 2.032 473 K HA -0.272 4.048 4.320 0.000 0.000 0.209 473 K C 2.043 178.693 176.600 0.084 0.000 1.048 473 K CA 1.921 58.272 56.287 0.107 0.000 0.927 473 K CB -0.022 32.512 32.500 0.058 0.000 0.712 473 K HN 0.297 nan 8.250 nan 0.000 0.441 474 E N -0.015 120.204 120.200 0.031 0.000 2.047 474 E HA -0.141 4.209 4.350 0.000 0.000 0.191 474 E C 1.938 178.519 176.600 -0.032 0.000 0.987 474 E CA 1.107 57.508 56.400 0.001 0.000 0.799 474 E CB 0.149 29.839 29.700 -0.016 0.000 0.752 474 E HN 0.142 nan 8.360 nan 0.000 0.449 475 V N 0.464 120.321 119.914 -0.095 0.000 2.332 475 V HA -0.236 3.884 4.120 0.000 0.000 0.248 475 V C 1.757 177.675 176.094 -0.294 0.000 1.055 475 V CA 1.643 63.794 62.300 -0.249 0.000 1.038 475 V CB -0.479 31.090 31.823 -0.423 0.000 0.651 475 V HN 0.296 nan 8.190 nan 0.000 0.450 476 F N 0.520 120.473 119.950 0.004 0.000 2.797 476 F HA 0.389 4.916 4.527 0.000 0.000 0.302 476 F C 1.794 177.598 175.800 0.006 0.000 1.130 476 F CA 0.443 58.448 58.000 0.009 0.000 1.387 476 F CB -0.671 38.339 39.000 0.015 0.000 1.107 476 F HN 0.264 nan 8.300 nan 0.000 0.577 477 G N 1.524 110.395 108.800 0.118 0.000 2.273 477 G HA2 -0.300 3.660 3.960 0.000 0.000 0.280 477 G HA3 -0.300 3.660 3.960 0.000 0.000 0.280 477 G C 0.009 174.958 174.900 0.081 0.000 1.047 477 G CA -0.087 45.059 45.100 0.076 0.000 0.869 477 G HN 0.314 nan 8.290 nan 0.000 0.502 478 L N -0.534 120.746 121.223 0.094 0.000 2.334 478 L HA 0.414 4.754 4.340 0.000 0.000 0.277 478 L C 0.930 177.827 176.870 0.045 0.000 1.075 478 L CA -1.056 53.826 54.840 0.069 0.000 0.804 478 L CB 0.982 43.087 42.059 0.078 0.000 1.174 478 L HN -0.049 nan 8.230 nan 0.000 0.438 479 D N -0.127 120.292 120.400 0.031 0.000 2.277 479 D HA -0.041 4.599 4.640 0.000 0.000 0.208 479 D C 0.112 176.422 176.300 0.016 0.000 0.962 479 D CA 1.199 55.211 54.000 0.020 0.000 0.865 479 D CB 0.330 41.138 40.800 0.014 0.000 0.939 479 D HN 0.408 nan 8.370 nan 0.000 0.510 480 D N -0.006 120.406 120.400 0.021 0.000 2.696 480 D HA 0.113 4.753 4.640 0.000 0.000 0.251 480 D C 0.963 177.282 176.300 0.031 0.000 1.188 480 D CA -0.566 53.445 54.000 0.019 0.000 0.876 480 D CB 1.778 42.587 40.800 0.015 0.000 1.334 480 D HN -0.111 nan 8.370 nan 0.000 0.540 481 I N 3.727 124.315 120.570 0.030 0.000 2.315 481 I HA -0.263 3.907 4.170 0.000 0.000 0.251 481 I C 1.322 177.482 176.117 0.071 0.000 1.125 481 I CA 0.967 62.295 61.300 0.047 0.000 1.392 481 I CB 0.184 38.205 38.000 0.035 0.000 1.065 481 I HN 0.346 nan 8.210 nan 0.000 0.424 482 N N 0.799 119.535 118.700 0.060 0.000 2.520 482 N HA -0.134 4.606 4.740 0.000 0.000 0.185 482 N C 0.748 176.301 175.510 0.072 0.000 1.068 482 N CA 0.914 54.013 53.050 0.082 0.000 0.911 482 N CB -0.192 38.329 38.487 0.056 0.000 0.961 482 N HN 0.463 nan 8.380 nan 0.000 0.446 483 D N 0.602 121.030 120.400 0.048 0.000 2.340 483 D HA 0.100 4.740 4.640 0.000 0.000 0.220 483 D C 0.806 177.112 176.300 0.009 0.000 1.039 483 D CA 0.002 54.018 54.000 0.026 0.000 0.866 483 D CB 0.481 41.291 40.800 0.016 0.000 0.913 483 D HN 0.207 nan 8.370 nan 0.000 0.523 484 L N 1.892 123.132 121.223 0.028 0.000 2.482 484 L HA 0.080 4.420 4.340 0.000 0.000 0.273 484 L C -1.559 175.312 176.870 0.001 0.000 1.228 484 L CA -1.107 53.734 54.840 0.003 0.000 0.827 484 L CB 0.018 42.104 42.059 0.046 0.000 1.099 484 L HN -0.157 nan 8.230 nan 0.000 0.494 485 P HA 0.135 nan 4.420 nan 0.000 0.230 485 P C -1.040 176.304 177.300 0.073 0.000 1.791 485 P CA 0.140 63.238 63.100 -0.004 0.000 1.020 485 P CB 0.065 31.731 31.700 -0.056 0.000 1.977 486 V N 0.731 120.668 119.914 0.039 0.000 2.686 486 V HA 0.356 4.476 4.120 0.000 0.000 0.306 486 V C 0.102 176.137 176.094 -0.099 0.000 1.065 486 V CA -0.373 61.905 62.300 -0.037 0.000 0.894 486 V CB 2.287 34.040 31.823 -0.116 0.000 1.004 486 V HN 0.173 nan 8.190 nan 0.000 0.424 487 S N 2.838 118.441 115.700 -0.163 0.000 2.621 487 S HA 0.812 5.282 4.470 0.000 0.000 0.302 487 S C -1.480 172.970 174.600 -0.249 0.000 1.093 487 S CA -0.511 57.644 58.200 -0.075 0.000 1.017 487 S CB 1.497 64.700 63.200 0.006 0.000 1.077 487 S HN 0.557 nan 8.310 nan 0.000 0.517 488 Y N 0.824 121.172 120.300 0.080 0.000 2.326 488 Y HA 0.428 4.978 4.550 0.000 0.000 0.331 488 Y C -0.229 175.749 175.900 0.129 0.000 0.962 488 Y CA -0.792 57.365 58.100 0.095 0.000 1.167 488 Y CB 1.287 39.794 38.460 0.079 0.000 1.148 488 Y HN 0.507 nan 8.280 nan 0.000 0.463 489 D N 4.370 124.930 120.400 0.265 0.000 2.443 489 D HA 0.335 4.975 4.640 0.000 0.000 0.281 489 D C -0.862 175.661 176.300 0.371 0.000 1.210 489 D CA -0.041 54.153 54.000 0.325 0.000 0.875 489 D CB 0.311 41.300 40.800 0.315 0.000 1.125 489 D HN 0.476 nan 8.370 nan 0.000 0.503 490 I N 1.442 122.207 120.570 0.326 0.000 2.396 490 I HA 0.490 4.660 4.170 0.000 0.000 0.292 490 I C 0.581 176.850 176.117 0.253 0.000 0.999 490 I CA -0.716 60.742 61.300 0.262 0.000 1.310 490 I CB 1.733 39.878 38.000 0.241 0.000 1.404 490 I HN 0.247 nan 8.210 nan 0.000 0.496 491 A N 7.849 130.717 122.820 0.080 0.000 2.312 491 A HA 0.675 4.995 4.320 0.000 0.000 0.326 491 A C -0.988 176.749 177.584 0.256 0.000 1.172 491 A CA -0.483 51.555 52.037 0.002 0.000 0.821 491 A CB 0.733 19.427 19.000 -0.509 0.000 1.166 491 A HN 0.815 nan 8.150 nan 0.000 0.493 492 W N 1.788 123.161 121.300 0.122 0.000 2.882 492 W HA 0.642 5.302 4.660 -0.000 0.000 0.345 492 W C -1.213 175.467 176.519 0.269 0.000 1.125 492 W CA -0.896 56.552 57.345 0.172 0.000 1.167 492 W CB 1.119 30.658 29.460 0.130 0.000 1.431 492 W HN 0.735 nan 8.180 nan 0.000 0.543 493 Y N 0.958 121.235 120.300 -0.037 0.000 3.087 493 Y HA 0.149 4.700 4.550 0.000 0.000 0.227 493 Y C 0.373 176.218 175.900 -0.091 0.000 1.015 493 Y CA 1.412 59.368 58.100 -0.240 0.000 1.399 493 Y CB 0.257 38.746 38.460 0.050 0.000 1.483 493 Y HN 0.463 nan 8.280 nan 0.000 0.420 494 E N -0.240 119.929 120.200 -0.051 0.000 2.573 494 E HA 0.350 4.700 4.350 0.000 0.000 0.218 494 E C 0.533 177.207 176.600 0.124 0.000 0.777 494 E CA -0.317 56.014 56.400 -0.115 0.000 0.970 494 E CB 0.377 29.923 29.700 -0.257 0.000 1.666 494 E HN 0.047 nan 8.360 nan 0.000 0.384 495 Q N -0.151 119.651 119.800 0.004 0.000 2.212 495 Q HA 0.138 4.478 4.340 0.000 0.000 0.199 495 Q C 1.643 177.603 176.000 -0.068 0.000 0.950 495 Q CA 1.190 56.975 55.803 -0.030 0.000 0.863 495 Q CB -0.064 28.608 28.738 -0.111 0.000 0.944 495 Q HN 0.390 nan 8.270 nan 0.000 0.465 496 K N 0.415 120.746 120.400 -0.115 0.000 2.063 496 K HA -0.100 4.220 4.320 0.000 0.000 0.208 496 K C 2.042 178.677 176.600 0.058 0.000 1.048 496 K CA 1.235 57.411 56.287 -0.186 0.000 0.928 496 K CB -0.239 32.093 32.500 -0.278 0.000 0.713 496 K HN 0.218 nan 8.250 nan 0.000 0.442 497 A N 0.875 123.796 122.820 0.167 0.000 1.933 497 A HA -0.126 4.194 4.320 0.000 0.000 0.218 497 A C 2.312 180.003 177.584 0.177 0.000 1.175 497 A CA 1.418 53.602 52.037 0.245 0.000 0.628 497 A CB -0.569 18.657 19.000 0.375 0.000 0.814 497 A HN 0.083 nan 8.150 nan 0.000 0.444 498 V N -0.190 119.803 119.914 0.133 0.000 2.358 498 V HA -0.232 3.888 4.120 0.000 0.000 0.246 498 V C 3.039 179.142 176.094 0.015 0.000 1.047 498 V CA 1.825 64.146 62.300 0.035 0.000 1.035 498 V CB -1.280 30.554 31.823 0.018 0.000 0.658 498 V HN 0.610 nan 8.190 nan 0.000 0.452 499 A N -0.067 122.762 122.820 0.015 0.000 1.908 499 A HA -0.171 4.149 4.320 0.000 0.000 0.218 499 A C 2.406 180.045 177.584 0.091 0.000 1.181 499 A CA 2.142 54.197 52.037 0.030 0.000 0.627 499 A CB -0.719 18.282 19.000 0.001 0.000 0.818 499 A HN 0.339 nan 8.150 nan 0.000 0.445 500 V N -0.258 119.746 119.914 0.150 0.000 2.343 500 V HA -0.247 3.873 4.120 0.000 0.000 0.247 500 V C 2.494 178.636 176.094 0.080 0.000 1.051 500 V CA 1.974 64.368 62.300 0.157 0.000 1.036 500 V CB -0.841 31.105 31.823 0.205 0.000 0.654 500 V HN 0.612 nan 8.190 nan 0.000 0.451 501 L N -0.238 121.013 121.223 0.046 0.000 2.012 501 L HA -0.178 4.162 4.340 0.000 0.000 0.210 501 L C 2.208 179.034 176.870 -0.074 0.000 1.073 501 L CA 1.977 56.801 54.840 -0.026 0.000 0.748 501 L CB -0.537 41.482 42.059 -0.067 0.000 0.891 501 L HN 0.212 nan 8.230 nan 0.000 0.431 502 L N -0.819 120.370 121.223 -0.058 0.000 2.083 502 L HA -0.170 4.170 4.340 0.000 0.000 0.209 502 L C 2.679 179.531 176.870 -0.030 0.000 1.083 502 L CA 1.056 55.850 54.840 -0.076 0.000 0.752 502 L CB -0.985 41.047 42.059 -0.047 0.000 0.899 502 L HN 0.407 nan 8.230 nan 0.000 0.433 503 A N 0.435 123.260 122.820 0.009 0.000 1.877 503 A HA -0.176 4.144 4.320 0.000 0.000 0.216 503 A C 2.248 179.870 177.584 0.064 0.000 1.186 503 A CA 1.460 53.529 52.037 0.052 0.000 0.620 503 A CB -0.712 18.333 19.000 0.074 0.000 0.822 503 A HN 0.355 nan 8.150 nan 0.000 0.443 504 L N -0.598 120.625 121.223 0.000 0.000 2.083 504 L HA -0.186 4.154 4.340 0.000 0.000 0.209 504 L C 2.543 179.345 176.870 -0.115 0.000 1.083 504 L CA 1.028 55.831 54.840 -0.061 0.000 0.752 504 L CB -0.583 41.408 42.059 -0.113 0.000 0.899 504 L HN 0.380 nan 8.230 nan 0.000 0.433 505 L N -1.384 119.728 121.223 -0.185 0.000 2.056 505 L HA -0.229 4.111 4.340 0.000 0.000 0.207 505 L C 2.570 179.344 176.870 -0.160 0.000 1.078 505 L CA 1.212 55.838 54.840 -0.358 0.000 0.749 505 L CB -0.597 40.993 42.059 -0.782 0.000 0.901 505 L HN 0.166 nan 8.230 nan 0.000 0.433 506 F N 0.907 120.761 119.950 -0.161 0.000 2.171 506 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 506 F C 2.042 177.824 175.800 -0.030 0.000 1.090 506 F CA 1.389 59.350 58.000 -0.065 0.000 1.293 506 F CB -0.080 38.886 39.000 -0.058 0.000 1.013 506 F HN -0.103 nan 8.300 nan 0.000 0.486 507 L N -0.046 121.215 121.223 0.062 0.000 2.622 507 L HA 0.131 4.472 4.340 0.000 0.000 0.233 507 L C 1.684 178.514 176.870 -0.067 0.000 1.156 507 L CA 0.723 55.560 54.840 -0.005 0.000 0.866 507 L CB -1.068 41.019 42.059 0.047 0.000 0.980 507 L HN 0.471 nan 8.230 nan 0.000 0.448 508 G N -0.187 108.571 108.800 -0.071 0.000 2.141 508 G HA2 -0.237 3.723 3.960 0.000 0.000 0.242 508 G HA3 -0.237 3.723 3.960 0.000 0.000 0.242 508 G C 0.178 175.061 174.900 -0.027 0.000 0.982 508 G CA -0.050 45.033 45.100 -0.029 0.000 0.662 508 G HN 0.095 nan 8.290 nan 0.000 0.527 509 V N 1.830 121.687 119.914 -0.094 0.000 2.508 509 V HA 0.453 4.573 4.120 0.000 0.000 0.281 509 V C 0.457 176.490 176.094 -0.102 0.000 1.041 509 V CA -0.072 62.119 62.300 -0.181 0.000 1.016 509 V CB 1.327 32.887 31.823 -0.439 0.000 0.984 509 V HN 0.262 nan 8.190 nan 0.000 0.478 510 K N 2.774 123.148 120.400 -0.043 0.000 2.281 510 K HA 0.653 4.973 4.320 0.000 0.000 0.242 510 K C 0.897 177.513 176.600 0.027 0.000 0.971 510 K CA -0.092 56.216 56.287 0.034 0.000 0.834 510 K CB 1.716 34.249 32.500 0.055 0.000 1.181 510 K HN 0.902 nan 8.250 nan 0.000 0.435 511 G N 1.025 109.858 108.800 0.055 0.000 2.136 511 G HA2 -0.246 3.714 3.960 0.000 0.000 0.242 511 G HA3 -0.246 3.714 3.960 0.000 0.000 0.242 511 G C 0.111 175.065 174.900 0.090 0.000 0.989 511 G CA -0.127 45.015 45.100 0.071 0.000 0.682 511 G HN 0.503 nan 8.290 nan 0.000 0.522 512 I N 0.773 121.377 120.570 0.056 0.000 2.618 512 I HA 0.155 4.325 4.170 0.000 0.000 0.284 512 I C 1.256 177.438 176.117 0.107 0.000 1.146 512 I CA 0.040 61.393 61.300 0.089 0.000 1.425 512 I CB 0.438 38.443 38.000 0.008 0.000 1.383 512 I HN 0.072 nan 8.210 nan 0.000 0.562 513 R N 5.600 126.195 120.500 0.158 0.000 2.254 513 R HA 0.486 4.826 4.340 0.000 0.000 0.318 513 R C -0.977 175.432 176.300 0.181 0.000 1.031 513 R CA -0.763 55.427 56.100 0.150 0.000 0.905 513 R CB 1.057 31.462 30.300 0.174 0.000 1.050 513 R HN 0.356 nan 8.270 nan 0.000 0.456 514 L N 2.303 123.611 121.223 0.142 0.000 2.356 514 L HA 0.728 5.068 4.340 0.000 0.000 0.277 514 L C -0.349 176.668 176.870 0.245 0.000 0.996 514 L CA 0.120 55.067 54.840 0.178 0.000 0.822 514 L CB 1.917 43.997 42.059 0.035 0.000 1.256 514 L HN 0.734 nan 8.230 nan 0.000 0.413 515 G N 3.769 112.817 108.800 0.413 0.000 2.682 515 G HA2 0.458 4.418 3.960 0.000 0.000 0.303 515 G HA3 0.458 4.418 3.960 0.000 0.000 0.303 515 G C -2.758 172.399 174.900 0.428 0.000 1.341 515 G CA -0.383 44.947 45.100 0.383 0.000 0.784 515 G HN 0.342 nan 8.290 nan 0.000 0.497 516 P HA 0.119 nan 4.420 nan 0.000 0.241 516 P C 0.654 178.001 177.300 0.079 0.000 1.191 516 P CA 0.942 64.127 63.100 0.142 0.000 0.771 516 P CB 0.298 32.067 31.700 0.115 0.000 0.929 517 T N -2.969 111.683 114.554 0.163 0.000 2.864 517 T HA 0.611 4.961 4.350 0.000 0.000 0.289 517 T C -0.297 174.586 174.700 0.306 0.000 1.082 517 T CA -0.966 61.230 62.100 0.160 0.000 1.009 517 T CB 1.209 70.146 68.868 0.116 0.000 1.234 517 T HN -0.193 nan 8.240 nan 0.000 0.526 518 L N 1.240 122.560 121.223 0.161 0.000 2.343 518 L HA 0.500 4.840 4.340 0.000 0.000 0.275 518 L C -2.310 174.559 176.870 -0.002 0.000 1.056 518 L CA -2.555 52.318 54.840 0.054 0.000 0.804 518 L CB 1.084 43.113 42.059 -0.049 0.000 1.203 518 L HN 0.461 nan 8.230 nan 0.000 0.440 519 P HA -0.028 nan 4.420 nan 0.000 0.266 519 P C -0.035 176.946 177.300 -0.532 0.000 1.195 519 P CA 0.079 62.798 63.100 -0.634 0.000 0.768 519 P CB 0.816 31.436 31.700 -1.799 0.000 0.838 520 A N 3.266 125.873 122.820 -0.356 0.000 2.066 520 A HA -0.123 4.197 4.320 0.000 0.000 0.218 520 A C 1.352 178.753 177.584 -0.305 0.000 1.157 520 A CA 1.041 52.985 52.037 -0.156 0.000 0.670 520 A CB -1.325 17.736 19.000 0.102 0.000 0.804 520 A HN 0.672 nan 8.150 nan 0.000 0.453 521 F N -1.309 118.283 119.950 -0.597 0.000 2.804 521 F HA 0.460 4.986 4.527 -0.000 0.000 0.303 521 F C 0.055 175.673 175.800 -0.303 0.000 1.154 521 F CA -0.519 56.973 58.000 -0.847 0.000 1.401 521 F CB -0.576 37.720 39.000 -1.173 0.000 1.106 521 F HN -0.103 nan 8.300 nan 0.000 0.568 522 L N 2.327 123.390 121.223 -0.267 0.000 2.262 522 L HA 0.348 4.688 4.340 0.000 0.000 0.288 522 L C 0.618 177.465 176.870 -0.039 0.000 1.035 522 L CA -0.918 53.849 54.840 -0.121 0.000 0.820 522 L CB 0.994 42.939 42.059 -0.191 0.000 1.204 522 L HN 0.265 nan 8.230 nan 0.000 0.424 523 S N 2.795 118.509 115.700 0.024 0.000 2.589 523 S HA 0.263 4.733 4.470 0.000 0.000 0.265 523 S C -1.793 172.818 174.600 0.018 0.000 1.342 523 S CA -1.012 57.212 58.200 0.041 0.000 1.005 523 S CB 0.911 64.146 63.200 0.059 0.000 0.909 523 S HN 0.364 nan 8.310 nan 0.000 0.555 524 P HA -0.115 nan 4.420 nan 0.000 0.216 524 P C 1.042 178.348 177.300 0.010 0.000 1.153 524 P CA 1.295 64.402 63.100 0.012 0.000 0.858 524 P CB -0.078 31.631 31.700 0.015 0.000 0.789 525 N N -1.095 117.614 118.700 0.015 0.000 2.188 525 N HA -0.075 4.665 4.740 0.000 0.000 0.184 525 N C 1.715 177.235 175.510 0.016 0.000 1.018 525 N CA 0.857 53.915 53.050 0.014 0.000 0.858 525 N CB -0.997 37.499 38.487 0.016 0.000 0.989 525 N HN 0.023 nan 8.380 nan 0.000 0.426 526 V N 1.477 121.404 119.914 0.022 0.000 2.379 526 V HA -0.106 4.014 4.120 0.000 0.000 0.245 526 V C 2.403 178.509 176.094 0.019 0.000 1.044 526 V CA 1.571 63.888 62.300 0.027 0.000 1.036 526 V CB -0.887 30.958 31.823 0.036 0.000 0.664 526 V HN 0.253 nan 8.190 nan 0.000 0.453 527 A N -0.170 122.651 122.820 0.001 0.000 1.908 527 A HA -0.290 4.030 4.320 0.000 0.000 0.218 527 A C 2.331 179.917 177.584 0.004 0.000 1.181 527 A CA 2.299 54.330 52.037 -0.011 0.000 0.627 527 A CB -0.493 18.491 19.000 -0.027 0.000 0.818 527 A HN 0.518 nan 8.150 nan 0.000 0.445 528 K N -0.363 120.039 120.400 0.004 0.000 2.057 528 K HA -0.096 4.224 4.320 0.000 0.000 0.207 528 K C 1.831 178.430 176.600 -0.001 0.000 1.049 528 K CA 1.546 57.833 56.287 0.001 0.000 0.931 528 K CB -0.274 32.225 32.500 -0.001 0.000 0.714 528 K HN 0.242 nan 8.250 nan 0.000 0.440 529 V N 1.783 121.701 119.914 0.007 0.000 2.287 529 V HA -0.276 3.844 4.120 0.000 0.000 0.248 529 V C 2.301 178.403 176.094 0.013 0.000 1.053 529 V CA 1.686 63.987 62.300 0.001 0.000 1.027 529 V CB -0.367 31.469 31.823 0.022 0.000 0.646 529 V HN 0.342 nan 8.190 nan 0.000 0.447 530 L N -0.654 120.616 121.223 0.078 0.000 2.093 530 L HA -0.134 4.206 4.340 0.000 0.000 0.208 530 L C 2.461 179.411 176.870 0.134 0.000 1.085 530 L CA 1.029 55.985 54.840 0.193 0.000 0.755 530 L CB -0.586 41.566 42.059 0.155 0.000 0.904 530 L HN 0.209 nan 8.230 nan 0.000 0.435 531 V N -0.093 119.851 119.914 0.051 0.000 2.307 531 V HA -0.262 3.858 4.120 0.000 0.000 0.245 531 V C 2.341 178.426 176.094 -0.014 0.000 1.045 531 V CA 1.790 64.105 62.300 0.026 0.000 1.024 531 V CB -0.418 31.411 31.823 0.010 0.000 0.651 531 V HN 0.453 nan 8.190 nan 0.000 0.449 532 E N 0.199 120.371 120.200 -0.046 0.000 2.106 532 E HA -0.190 4.160 4.350 0.000 0.000 0.192 532 E C 2.032 178.530 176.600 -0.170 0.000 0.984 532 E CA 1.392 57.741 56.400 -0.084 0.000 0.806 532 E CB -0.162 29.494 29.700 -0.073 0.000 0.750 532 E HN 0.571 nan 8.360 nan 0.000 0.458 533 N N -0.446 118.077 118.700 -0.295 0.000 2.290 533 N HA -0.040 4.700 4.740 0.000 0.000 0.179 533 N C 0.793 175.847 175.510 -0.760 0.000 1.016 533 N CA 0.951 53.607 53.050 -0.657 0.000 0.871 533 N CB 0.135 37.958 38.487 -1.108 0.000 0.987 533 N HN 0.106 nan 8.380 nan 0.000 0.431 534 F N -0.701 119.233 119.950 -0.027 0.000 2.798 534 F HA 0.337 4.864 4.527 -0.000 0.000 0.328 534 F C 0.441 176.223 175.800 -0.030 0.000 1.098 534 F CA -0.638 57.341 58.000 -0.034 0.000 1.172 534 F CB -0.511 38.465 39.000 -0.039 0.000 1.072 534 F HN -0.065 nan 8.300 nan 0.000 0.555 535 N N 1.792 120.547 118.700 0.092 0.000 2.727 535 N HA -0.219 4.521 4.740 0.000 0.000 0.249 535 N C -0.255 175.299 175.510 0.073 0.000 1.048 535 N CA -0.175 52.911 53.050 0.061 0.000 0.714 535 N CB -0.669 37.843 38.487 0.043 0.000 0.959 535 N HN 0.225 nan 8.380 nan 0.000 0.544 536 I N 0.990 121.611 120.570 0.086 0.000 2.648 536 I HA 0.026 4.196 4.170 0.000 0.000 0.284 536 I C 0.577 176.716 176.117 0.037 0.000 1.153 536 I CA 0.715 62.046 61.300 0.053 0.000 1.426 536 I CB 0.687 38.706 38.000 0.032 0.000 1.381 536 I HN 0.083 nan 8.210 nan 0.000 0.571 537 K N 7.125 127.549 120.400 0.039 0.000 2.385 537 K HA 0.534 4.854 4.320 0.000 0.000 0.248 537 K C -2.558 174.061 176.600 0.032 0.000 0.955 537 K CA -1.628 54.680 56.287 0.035 0.000 0.816 537 K CB 2.093 34.621 32.500 0.047 0.000 1.250 537 K HN 0.273 nan 8.250 nan 0.000 0.434 538 P HA 0.210 nan 4.420 nan 0.000 0.278 538 P C -0.282 177.008 177.300 -0.018 0.000 1.258 538 P CA -0.623 62.480 63.100 0.005 0.000 0.811 538 P CB 0.414 32.110 31.700 -0.007 0.000 1.063 539 I N -2.158 118.360 120.570 -0.086 0.000 2.779 539 I HA 0.582 4.752 4.170 0.000 0.000 0.285 539 I C 0.556 176.580 176.117 -0.155 0.000 1.134 539 I CA -0.132 61.040 61.300 -0.213 0.000 1.398 539 I CB 0.259 37.841 38.000 -0.696 0.000 1.404 539 I HN 0.361 nan 8.210 nan 0.000 0.587 540 G N 2.682 111.433 108.800 -0.082 0.000 3.135 540 G HA2 0.548 4.508 3.960 0.000 0.000 0.159 540 G HA3 0.548 4.508 3.960 0.000 0.000 0.159 540 G C -0.359 174.573 174.900 0.054 0.000 1.244 540 G CA -0.059 45.034 45.100 -0.011 0.000 0.965 540 G HN 0.877 nan 8.290 nan 0.000 0.599 541 T N -1.668 112.935 114.554 0.082 0.000 2.860 541 T HA 0.271 4.621 4.350 0.000 0.000 0.299 541 T C 1.508 176.310 174.700 0.170 0.000 1.045 541 T CA -0.032 62.137 62.100 0.114 0.000 1.071 541 T CB 1.400 70.302 68.868 0.056 0.000 0.985 541 T HN 0.230 nan 8.240 nan 0.000 0.537 542 V N 1.819 121.805 119.914 0.119 0.000 2.282 542 V HA -0.230 3.890 4.120 0.000 0.000 0.249 542 V C 3.022 179.100 176.094 -0.026 0.000 1.057 542 V CA 2.461 64.738 62.300 -0.038 0.000 1.032 542 V CB -1.122 30.629 31.823 -0.120 0.000 0.645 542 V HN 1.055 nan 8.190 nan 0.000 0.447 543 Q N -0.272 119.525 119.800 -0.005 0.000 2.050 543 Q HA -0.262 4.078 4.340 0.000 0.000 0.202 543 Q C 1.940 177.944 176.000 0.005 0.000 0.980 543 Q CA 2.268 58.066 55.803 -0.008 0.000 0.840 543 Q CB -0.172 28.564 28.738 -0.004 0.000 0.898 543 Q HN 0.640 nan 8.270 nan 0.000 0.424 544 D N 0.463 120.878 120.400 0.025 0.000 2.117 544 D HA -0.133 4.507 4.640 0.000 0.000 0.198 544 D C 1.439 177.762 176.300 0.040 0.000 0.982 544 D CA 1.316 55.333 54.000 0.029 0.000 0.828 544 D CB -0.264 40.556 40.800 0.034 0.000 0.967 544 D HN 0.343 nan 8.370 nan 0.000 0.464 545 D N 0.066 120.506 120.400 0.068 0.000 2.149 545 D HA -0.031 4.609 4.640 0.000 0.000 0.201 545 D C 2.274 178.599 176.300 0.042 0.000 0.972 545 D CA 0.251 54.303 54.000 0.087 0.000 0.835 545 D CB -0.182 40.731 40.800 0.189 0.000 0.966 545 D HN 0.241 nan 8.370 nan 0.000 0.476 546 I N 1.095 121.666 120.570 0.003 0.000 2.179 546 I HA -0.272 3.898 4.170 0.000 0.000 0.242 546 I C 2.410 178.518 176.117 -0.015 0.000 1.088 546 I CA 1.098 62.383 61.300 -0.025 0.000 1.357 546 I CB -0.176 37.792 38.000 -0.054 0.000 1.051 546 I HN -0.063 nan 8.210 nan 0.000 0.409 547 A N 0.618 123.433 122.820 -0.008 0.000 1.902 547 A HA -0.186 4.134 4.320 0.000 0.000 0.217 547 A C 2.518 180.103 177.584 0.000 0.000 1.181 547 A CA 1.933 53.965 52.037 -0.007 0.000 0.623 547 A CB -0.847 18.150 19.000 -0.005 0.000 0.818 547 A HN 0.449 nan 8.150 nan 0.000 0.443 548 A N -0.570 122.258 122.820 0.013 0.000 1.877 548 A HA -0.114 4.206 4.320 0.000 0.000 0.216 548 A C 2.280 179.876 177.584 0.020 0.000 1.186 548 A CA 1.809 53.858 52.037 0.020 0.000 0.620 548 A CB -0.556 18.464 19.000 0.033 0.000 0.822 548 A HN 0.518 nan 8.150 nan 0.000 0.443 549 M N -1.162 118.452 119.600 0.023 0.000 2.117 549 M HA -0.158 4.322 4.480 0.000 0.000 0.262 549 M C 2.079 178.378 176.300 -0.002 0.000 1.065 549 M CA 1.298 56.611 55.300 0.020 0.000 1.114 549 M CB -0.417 32.195 32.600 0.020 0.000 1.361 549 M HN 0.303 nan 8.290 nan 0.000 0.408 550 M N -0.406 119.185 119.600 -0.016 0.000 2.358 550 M HA -0.057 4.423 4.480 0.000 0.000 0.264 550 M C 2.029 178.315 176.300 -0.023 0.000 1.064 550 M CA 1.110 56.392 55.300 -0.030 0.000 1.093 550 M CB -1.326 31.252 32.600 -0.037 0.000 1.401 550 M HN 0.270 nan 8.290 nan 0.000 0.440 551 A N -0.769 122.045 122.820 -0.011 0.000 2.275 551 A HA 0.457 4.777 4.320 0.000 0.000 0.212 551 A C 1.594 179.177 177.584 -0.001 0.000 1.201 551 A CA 0.702 52.734 52.037 -0.008 0.000 0.843 551 A CB -0.676 18.322 19.000 -0.003 0.000 0.873 551 A HN 0.608 nan 8.150 nan 0.000 0.492 552 G N -0.557 108.245 108.800 0.004 0.000 2.147 552 G HA2 -0.248 3.712 3.960 0.000 0.000 0.244 552 G HA3 -0.248 3.712 3.960 0.000 0.000 0.244 552 G C 0.132 175.051 174.900 0.032 0.000 1.005 552 G CA 0.843 45.953 45.100 0.016 0.000 0.713 552 G HN 0.613 nan 8.290 nan 0.000 0.515 553 K N 0.000 120.419 120.400 0.032 0.000 2.780 553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 553 K CA 0.000 56.310 56.287 0.039 0.000 0.838 553 K CB 0.000 32.516 32.500 0.027 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543