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 1eji_1_A DATA FIRST_RESID 7 DATA SEQUENCE MADRDATLWA SHEKXLSQPL KDSDAEVYSI IKKESNRQRV GLELIASENF DATA SEQUENCE ASRAVLEALG SSLNNKYSEG YPGQRYYGGT EFIDELEXLC QKRALQAYHL DATA SEQUENCE DPQCWGVNVQ PYSGSPANFA VYTALVEPHG RIXGLDLPDG GHLTHGFXTD DATA SEQUENCE KKKISATSIF FESXPYKVYP ETGYINYDQL EENASLFHPK LIIAGTSCYS DATA SEQUENCE RNLDYARLRK IADDNGAYLX ADXAHISGLV AAGVVPSPFE HCHVVTTTTH DATA SEQUENCE KTLRGCRAGX IFYRKGVRSV DPKTGKETYY ELESLINSAV FPGLQGGPHN DATA SEQUENCE HAIAGVAVAL KQAXTTEFKI YQLQVLANCR ALSDALTELG YKIVTGGSDN DATA SEQUENCE HLILXDLRSK GTDGGRAEKV LEACSIACNK NTCPGDKSAL RPSGLRLGTP DATA SEQUENCE ALTSRGLLEE DFQKVAHFIH RGIELTLQIQ SHXATKATLK EFKEKLAGDE DATA SEQUENCE KIQSAVATLR EEVENFASNF SLPGLPDF 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.306 176.300 0.011 0.000 1.140 7 M CA 0.000 55.307 55.300 0.012 0.000 0.988 7 M CB 0.000 32.606 32.600 0.009 0.000 1.302 8 A N 1.919 124.748 122.820 0.015 0.000 2.478 8 A HA 0.292 4.612 4.320 -0.000 0.000 0.239 8 A C -0.154 177.436 177.584 0.009 0.000 1.480 8 A CA 1.114 53.158 52.037 0.013 0.000 1.308 8 A CB -0.924 18.088 19.000 0.019 0.000 0.899 8 A HN 0.582 nan 8.150 nan 0.000 0.600 9 D N -0.637 119.765 120.400 0.003 0.000 2.838 9 D HA -0.123 4.517 4.640 -0.000 0.000 0.237 9 D C 0.452 176.751 176.300 -0.003 0.000 1.059 9 D CA 1.102 55.096 54.000 -0.010 0.000 0.763 9 D CB -1.105 39.680 40.800 -0.025 0.000 1.070 9 D HN 0.837 nan 8.370 nan 0.000 0.437 10 R N -0.728 119.780 120.500 0.013 0.000 4.129 10 R HA -0.165 4.174 4.340 -0.000 0.000 0.250 10 R C 0.065 176.406 176.300 0.069 0.000 0.241 10 R CA 0.761 56.881 56.100 0.034 0.000 0.886 10 R CB -1.359 28.956 30.300 0.025 0.000 1.080 10 R HN 0.077 nan 8.270 nan 0.000 0.520 11 D N 1.780 122.253 120.400 0.123 0.000 2.389 11 D HA 0.037 4.677 4.640 -0.000 0.000 0.250 11 D C 1.505 177.914 176.300 0.182 0.000 1.136 11 D CA 0.975 55.074 54.000 0.165 0.000 0.945 11 D CB -0.207 40.746 40.800 0.255 0.000 0.890 11 D HN 0.522 nan 8.370 nan 0.000 0.525 12 A N 1.155 124.057 122.820 0.136 0.000 1.853 12 A HA -0.401 3.919 4.320 -0.000 0.000 0.255 12 A C 2.373 180.035 177.584 0.131 0.000 2.273 12 A CA 2.861 54.971 52.037 0.120 0.000 0.797 12 A CB -1.380 17.660 19.000 0.066 0.000 0.844 12 A HN 0.332 nan 8.150 nan 0.000 0.520 13 T N -0.329 114.277 114.554 0.087 0.000 2.570 13 T HA -0.204 4.146 4.350 -0.000 0.000 0.266 13 T C 1.810 176.549 174.700 0.066 0.000 1.071 13 T CA 1.894 64.032 62.100 0.064 0.000 1.172 13 T CB -0.500 68.391 68.868 0.038 0.000 0.864 13 T HN 0.258 nan 8.240 nan 0.000 0.421 14 L N -0.748 120.503 121.223 0.048 0.000 2.017 14 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 14 L C 2.202 179.066 176.870 -0.010 0.000 1.073 14 L CA 1.420 56.252 54.840 -0.013 0.000 0.745 14 L CB -1.084 40.925 42.059 -0.083 0.000 0.894 14 L HN 0.405 nan 8.230 nan 0.000 0.432 15 W N -0.749 120.565 121.300 0.022 0.000 2.387 15 W HA -0.210 4.450 4.660 -0.000 0.000 0.272 15 W C 2.372 178.931 176.519 0.066 0.000 1.224 15 W CA 1.201 58.567 57.345 0.034 0.000 1.210 15 W CB -0.154 29.306 29.460 0.000 0.000 1.125 15 W HN 0.169 nan 8.180 nan 0.000 0.572 16 A N -1.113 121.849 122.820 0.238 0.000 1.898 16 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 16 A C 2.028 179.674 177.584 0.104 0.000 1.183 16 A CA 1.747 53.880 52.037 0.159 0.000 0.622 16 A CB -0.903 18.159 19.000 0.103 0.000 0.824 16 A HN 0.117 nan 8.150 nan 0.000 0.444 17 S N -0.914 114.825 115.700 0.066 0.000 2.344 17 S HA -0.183 4.287 4.470 -0.000 0.000 0.217 17 S C 1.991 176.596 174.600 0.009 0.000 1.033 17 S CA 1.143 59.355 58.200 0.020 0.000 1.017 17 S CB -0.726 62.471 63.200 -0.004 0.000 0.941 17 S HN 0.763 nan 8.310 nan 0.000 0.430 18 H N 1.447 120.451 119.070 -0.110 0.000 2.431 18 H HA -0.175 4.381 4.556 -0.000 0.000 0.297 18 H C 2.174 177.469 175.328 -0.054 0.000 1.115 18 H CA 2.091 58.044 56.048 -0.160 0.000 1.277 18 H CB -0.178 29.345 29.762 -0.398 0.000 1.372 18 H HN 0.420 nan 8.280 nan 0.000 0.516 19 E N 1.249 121.515 120.200 0.109 0.000 2.031 19 E HA -0.091 4.258 4.350 -0.000 0.000 0.193 19 E C 1.335 177.927 176.600 -0.013 0.000 0.994 19 E CA 1.008 57.474 56.400 0.111 0.000 0.800 19 E CB -0.156 29.653 29.700 0.182 0.000 0.752 19 E HN 0.397 nan 8.360 nan 0.000 0.447 23 S N -2.393 113.260 115.700 -0.078 0.000 2.679 23 S HA 0.068 4.538 4.470 -0.000 0.000 0.258 23 S C 0.509 175.073 174.600 -0.061 0.000 1.068 23 S CA -0.229 57.935 58.200 -0.059 0.000 1.115 23 S CB 0.534 63.708 63.200 -0.044 0.000 1.078 23 S HN 0.320 nan 8.310 nan 0.000 0.603 24 Q N 2.791 122.551 119.800 -0.066 0.000 2.361 24 Q HA 0.270 4.610 4.340 -0.000 0.000 0.276 24 Q C -2.612 173.344 176.000 -0.074 0.000 1.022 24 Q CA -1.270 54.492 55.803 -0.068 0.000 0.898 24 Q CB 0.215 28.912 28.738 -0.068 0.000 1.246 24 Q HN 0.132 nan 8.270 nan 0.000 0.410 25 P HA -0.028 nan 4.420 nan 0.000 0.274 25 P C 0.224 177.462 177.300 -0.103 0.000 1.231 25 P CA -0.389 62.651 63.100 -0.100 0.000 0.790 25 P CB 0.587 32.211 31.700 -0.127 0.000 0.951 26 L N 3.351 124.532 121.223 -0.070 0.000 2.081 26 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 26 L C 2.101 178.898 176.870 -0.120 0.000 1.080 26 L CA 1.956 56.792 54.840 -0.007 0.000 0.754 26 L CB -0.854 41.297 42.059 0.153 0.000 0.893 26 L HN 0.345 nan 8.230 nan 0.000 0.433 27 K N -0.938 119.232 120.400 -0.384 0.000 2.160 27 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 27 K C 1.332 177.688 176.600 -0.406 0.000 1.047 27 K CA 2.008 57.785 56.287 -0.850 0.000 0.930 27 K CB -0.100 31.909 32.500 -0.819 0.000 0.720 27 K HN 0.553 nan 8.250 nan 0.000 0.450 28 D N -0.963 119.300 120.400 -0.229 0.000 2.468 28 D HA -0.063 4.577 4.640 -0.000 0.000 0.243 28 D C 1.880 178.128 176.300 -0.088 0.000 0.994 28 D CA 0.507 54.424 54.000 -0.137 0.000 0.932 28 D CB -0.552 40.182 40.800 -0.110 0.000 1.078 28 D HN 0.080 nan 8.370 nan 0.000 0.473 29 S N 0.042 115.696 115.700 -0.076 0.000 2.378 29 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 29 S C 0.530 175.114 174.600 -0.026 0.000 1.052 29 S CA 1.583 59.754 58.200 -0.049 0.000 1.084 29 S CB -0.078 63.096 63.200 -0.045 0.000 0.950 29 S HN 0.104 nan 8.310 nan 0.000 0.440 30 D N -0.984 119.412 120.400 -0.006 0.000 2.346 30 D HA 0.576 5.216 4.640 -0.000 0.000 0.255 30 D C 0.312 176.653 176.300 0.068 0.000 1.276 30 D CA 0.261 54.277 54.000 0.028 0.000 0.941 30 D CB 1.111 41.937 40.800 0.043 0.000 1.199 30 D HN 0.213 nan 8.370 nan 0.000 0.537 31 A N 3.009 125.856 122.820 0.046 0.000 1.969 31 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 31 A C 1.852 179.516 177.584 0.133 0.000 1.169 31 A CA 1.200 53.291 52.037 0.090 0.000 0.635 31 A CB -0.141 18.884 19.000 0.041 0.000 0.810 31 A HN 0.602 nan 8.150 nan 0.000 0.445 32 E N -0.287 119.961 120.200 0.080 0.000 2.017 32 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 32 E C 1.882 178.520 176.600 0.064 0.000 0.997 32 E CA 1.486 57.921 56.400 0.059 0.000 0.804 32 E CB -0.121 29.599 29.700 0.033 0.000 0.757 32 E HN 0.283 nan 8.360 nan 0.000 0.448 33 V N 0.559 120.516 119.914 0.072 0.000 2.407 33 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 33 V C 2.078 178.224 176.094 0.086 0.000 1.055 33 V CA 1.936 64.271 62.300 0.059 0.000 1.049 33 V CB -0.617 31.244 31.823 0.063 0.000 0.662 33 V HN 0.419 nan 8.190 nan 0.000 0.455 34 Y N 0.697 121.016 120.300 0.032 0.000 2.181 34 Y HA -0.260 4.290 4.550 -0.000 0.000 0.288 34 Y C 2.896 178.811 175.900 0.025 0.000 1.146 34 Y CA 1.894 60.035 58.100 0.069 0.000 1.164 34 Y CB -0.425 38.090 38.460 0.092 0.000 0.982 34 Y HN 0.237 nan 8.280 nan 0.000 0.515 35 S N 0.058 115.811 115.700 0.089 0.000 2.353 35 S HA -0.211 4.259 4.470 -0.000 0.000 0.222 35 S C 2.052 176.595 174.600 -0.094 0.000 1.035 35 S CA 1.927 60.124 58.200 -0.005 0.000 1.025 35 S CB -0.698 62.529 63.200 0.045 0.000 0.902 35 S HN 0.510 nan 8.310 nan 0.000 0.440 36 I N 1.364 121.892 120.570 -0.069 0.000 2.194 36 I HA -0.213 3.957 4.170 -0.000 0.000 0.246 36 I C 2.254 178.275 176.117 -0.160 0.000 1.093 36 I CA 1.448 62.694 61.300 -0.090 0.000 1.355 36 I CB -0.524 37.439 38.000 -0.062 0.000 1.046 36 I HN 0.345 nan 8.210 nan 0.000 0.413 37 I N 0.623 121.051 120.570 -0.237 0.000 2.286 37 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 37 I C 2.575 178.440 176.117 -0.421 0.000 1.115 37 I CA 1.558 62.628 61.300 -0.384 0.000 1.392 37 I CB -0.345 37.285 38.000 -0.618 0.000 1.065 37 I HN 0.210 nan 8.210 nan 0.000 0.418 38 K N 0.740 120.895 120.400 -0.408 0.000 2.103 38 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 38 K C 2.114 178.604 176.600 -0.184 0.000 1.052 38 K CA 1.039 57.142 56.287 -0.308 0.000 0.945 38 K CB 0.032 32.353 32.500 -0.298 0.000 0.722 38 K HN 0.199 nan 8.250 nan 0.000 0.443 39 K N 0.515 120.825 120.400 -0.149 0.000 2.097 39 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 39 K C 2.011 178.555 176.600 -0.092 0.000 1.049 39 K CA 1.413 57.643 56.287 -0.096 0.000 0.933 39 K CB 0.049 32.505 32.500 -0.073 0.000 0.717 39 K HN 0.041 nan 8.250 nan 0.000 0.442 40 E N 0.689 120.819 120.200 -0.117 0.000 2.112 40 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 40 E C 1.927 178.473 176.600 -0.090 0.000 0.979 40 E CA 1.226 57.570 56.400 -0.094 0.000 0.814 40 E CB -0.194 29.441 29.700 -0.107 0.000 0.762 40 E HN 0.065 nan 8.360 nan 0.000 0.460 41 S N -0.182 115.435 115.700 -0.137 0.000 2.370 41 S HA -0.224 4.246 4.470 -0.000 0.000 0.226 41 S C 1.953 176.503 174.600 -0.084 0.000 1.033 41 S CA 1.707 59.836 58.200 -0.118 0.000 1.011 41 S CB -0.579 62.527 63.200 -0.157 0.000 0.852 41 S HN 0.427 nan 8.310 nan 0.000 0.457 42 N N 1.299 119.950 118.700 -0.082 0.000 2.058 42 N HA -0.124 4.616 4.740 -0.000 0.000 0.191 42 N C 2.008 177.490 175.510 -0.047 0.000 1.037 42 N CA 1.753 54.766 53.050 -0.062 0.000 0.848 42 N CB -0.421 38.032 38.487 -0.057 0.000 1.021 42 N HN 0.429 nan 8.380 nan 0.000 0.422 43 R N 0.307 120.784 120.500 -0.039 0.000 2.133 43 R HA -0.239 4.101 4.340 -0.000 0.000 0.245 43 R C 2.043 178.343 176.300 0.001 0.000 1.137 43 R CA 2.177 58.265 56.100 -0.020 0.000 0.947 43 R CB -0.331 29.960 30.300 -0.016 0.000 0.865 43 R HN 0.499 nan 8.270 nan 0.000 0.437 44 Q N -0.646 119.165 119.800 0.018 0.000 2.226 44 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 44 Q C 2.259 178.250 176.000 -0.015 0.000 0.975 44 Q CA 1.416 57.267 55.803 0.079 0.000 0.866 44 Q CB -0.109 28.720 28.738 0.152 0.000 0.915 44 Q HN 0.339 nan 8.270 nan 0.000 0.440 45 R N 0.609 121.067 120.500 -0.070 0.000 2.057 45 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 45 R C 1.052 177.315 176.300 -0.061 0.000 1.136 45 R CA 1.304 57.343 56.100 -0.101 0.000 0.952 45 R CB 0.229 30.474 30.300 -0.092 0.000 0.848 45 R HN 0.201 nan 8.270 nan 0.000 0.430 46 V N -0.691 119.198 119.914 -0.040 0.000 2.224 46 V HA 0.608 4.728 4.120 -0.000 0.000 0.289 46 V C -0.271 175.807 176.094 -0.026 0.000 1.518 46 V CA -0.094 62.187 62.300 -0.031 0.000 1.533 46 V CB 0.307 32.114 31.823 -0.028 0.000 1.460 46 V HN 0.329 nan 8.190 nan 0.000 0.515 47 G N 1.624 110.411 108.800 -0.021 0.000 2.616 47 G HA2 0.541 4.501 3.960 -0.000 0.000 0.294 47 G HA3 0.541 4.501 3.960 -0.000 0.000 0.294 47 G C -1.474 173.427 174.900 0.001 0.000 1.489 47 G CA -1.048 44.045 45.100 -0.012 0.000 0.836 47 G HN 0.353 nan 8.290 nan 0.000 0.527 48 L N 1.989 123.211 121.223 -0.002 0.000 2.270 48 L HA 0.345 4.685 4.340 -0.000 0.000 0.286 48 L C -0.035 176.862 176.870 0.045 0.000 1.059 48 L CA -0.672 54.176 54.840 0.014 0.000 0.839 48 L CB 1.143 43.214 42.059 0.021 0.000 1.221 48 L HN 0.375 nan 8.230 nan 0.000 0.431 49 E N 5.125 125.371 120.200 0.077 0.000 2.070 49 E HA 0.157 4.507 4.350 -0.000 0.000 0.282 49 E C 0.283 176.925 176.600 0.070 0.000 1.104 49 E CA 0.036 56.477 56.400 0.068 0.000 0.876 49 E CB 1.380 31.118 29.700 0.064 0.000 1.055 49 E HN 0.586 nan 8.360 nan 0.000 0.401 50 L N 3.914 125.177 121.223 0.067 0.000 2.910 50 L HA 0.319 4.659 4.340 -0.000 0.000 0.252 50 L C 0.493 177.401 176.870 0.063 0.000 1.195 50 L CA -0.122 54.772 54.840 0.089 0.000 1.003 50 L CB 0.337 42.454 42.059 0.096 0.000 1.328 50 L HN 0.354 nan 8.230 nan 0.000 0.540 51 I N 0.880 121.476 120.570 0.042 0.000 2.406 51 I HA 0.039 4.209 4.170 -0.000 0.000 0.293 51 I C 1.684 177.834 176.117 0.056 0.000 1.101 51 I CA -0.148 61.176 61.300 0.041 0.000 1.334 51 I CB 1.408 39.422 38.000 0.023 0.000 1.421 51 I HN 0.195 nan 8.210 nan 0.000 0.513 52 A N 4.933 127.805 122.820 0.087 0.000 1.971 52 A HA -0.253 4.067 4.320 -0.000 0.000 0.222 52 A C 2.202 179.864 177.584 0.130 0.000 1.182 52 A CA 2.556 54.679 52.037 0.142 0.000 0.649 52 A CB -0.550 18.558 19.000 0.180 0.000 0.818 52 A HN 0.793 nan 8.150 nan 0.000 0.458 53 S N -1.184 114.564 115.700 0.079 0.000 2.575 53 S HA 0.219 4.689 4.470 -0.000 0.000 0.215 53 S C 0.423 174.997 174.600 -0.044 0.000 0.966 53 S CA -0.182 57.971 58.200 -0.077 0.000 0.911 53 S CB 0.069 63.285 63.200 0.027 0.000 0.780 53 S HN 0.638 nan 8.310 nan 0.000 0.514 54 E N 1.204 121.382 120.200 -0.036 0.000 2.254 54 E HA 0.538 4.888 4.350 -0.000 0.000 0.261 54 E C -0.550 175.952 176.600 -0.164 0.000 1.051 54 E CA -0.778 55.566 56.400 -0.094 0.000 0.902 54 E CB 0.738 30.359 29.700 -0.133 0.000 1.168 54 E HN 0.202 nan 8.360 nan 0.000 0.423 55 N N -0.022 118.503 118.700 -0.293 0.000 3.355 55 N HA 0.189 4.929 4.740 -0.000 0.000 0.238 55 N C -1.984 173.230 175.510 -0.493 0.000 1.466 55 N CA -0.495 52.344 53.050 -0.352 0.000 0.882 55 N CB 0.670 39.113 38.487 -0.072 0.000 1.406 55 N HN 0.196 nan 8.380 nan 0.000 0.500 56 F N 1.285 121.255 119.950 0.034 0.000 2.402 56 F HA 0.665 5.191 4.527 -0.000 0.000 0.355 56 F C 0.920 176.723 175.800 0.006 0.000 1.123 56 F CA -0.688 57.320 58.000 0.013 0.000 1.021 56 F CB 1.417 40.418 39.000 0.001 0.000 1.160 56 F HN 0.461 nan 8.300 nan 0.000 0.451 57 A N 2.269 125.194 122.820 0.175 0.000 2.388 57 A HA 0.525 4.845 4.320 -0.000 0.000 0.257 57 A C 0.440 178.078 177.584 0.091 0.000 1.095 57 A CA -0.395 51.705 52.037 0.105 0.000 0.791 57 A CB 0.050 19.097 19.000 0.078 0.000 1.029 57 A HN 0.836 nan 8.150 nan 0.000 0.489 58 S N 1.617 117.350 115.700 0.055 0.000 2.580 58 S HA 0.082 4.552 4.470 -0.000 0.000 0.266 58 S C 1.229 175.852 174.600 0.038 0.000 1.354 58 S CA 0.376 58.598 58.200 0.036 0.000 1.008 58 S CB 0.498 63.708 63.200 0.016 0.000 0.898 58 S HN 0.861 nan 8.310 nan 0.000 0.555 59 R N 0.917 121.434 120.500 0.029 0.000 2.092 59 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 59 R C 2.367 178.681 176.300 0.023 0.000 1.119 59 R CA 1.335 57.453 56.100 0.029 0.000 0.970 59 R CB -1.141 29.171 30.300 0.020 0.000 0.864 59 R HN 0.842 nan 8.270 nan 0.000 0.440 60 A N 0.662 123.490 122.820 0.014 0.000 1.873 60 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 60 A C 2.275 179.867 177.584 0.013 0.000 1.193 60 A CA 1.971 54.012 52.037 0.008 0.000 0.629 60 A CB -0.837 18.163 19.000 -0.000 0.000 0.826 60 A HN 0.232 nan 8.150 nan 0.000 0.447 61 V N 0.131 120.055 119.914 0.016 0.000 2.220 61 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 61 V C 2.600 178.715 176.094 0.034 0.000 1.049 61 V CA 2.162 64.475 62.300 0.022 0.000 1.003 61 V CB -0.943 30.894 31.823 0.025 0.000 0.634 61 V HN 0.599 nan 8.190 nan 0.000 0.444 62 L N -0.316 120.933 121.223 0.044 0.000 2.051 62 L HA -0.293 4.047 4.340 -0.000 0.000 0.214 62 L C 2.574 179.476 176.870 0.053 0.000 1.076 62 L CA 2.113 56.988 54.840 0.058 0.000 0.758 62 L CB -0.715 41.388 42.059 0.073 0.000 0.890 62 L HN 0.426 nan 8.230 nan 0.000 0.433 63 E N -0.210 120.013 120.200 0.037 0.000 2.219 63 E HA -0.246 4.104 4.350 -0.000 0.000 0.198 63 E C 2.094 178.707 176.600 0.021 0.000 0.998 63 E CA 1.062 57.475 56.400 0.023 0.000 0.818 63 E CB 0.020 29.726 29.700 0.010 0.000 0.741 63 E HN 0.532 nan 8.360 nan 0.000 0.477 64 A N 0.095 122.932 122.820 0.029 0.000 2.030 64 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 64 A C 1.987 179.610 177.584 0.064 0.000 1.164 64 A CA 0.131 52.188 52.037 0.034 0.000 0.697 64 A CB -0.170 18.847 19.000 0.029 0.000 0.827 64 A HN 0.198 nan 8.150 nan 0.000 0.457 65 L N -0.556 120.715 121.223 0.079 0.000 2.083 65 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 65 L C 2.210 179.146 176.870 0.111 0.000 1.083 65 L CA 1.194 56.118 54.840 0.140 0.000 0.752 65 L CB -0.342 41.792 42.059 0.125 0.000 0.899 65 L HN 0.510 nan 8.230 nan 0.000 0.433 66 G N -0.762 108.066 108.800 0.046 0.000 3.518 66 G HA2 0.106 4.066 3.960 -0.000 0.000 0.273 66 G HA3 0.106 4.066 3.960 -0.000 0.000 0.273 66 G C 0.572 175.455 174.900 -0.028 0.000 1.199 66 G CA 0.175 45.271 45.100 -0.006 0.000 0.899 66 G HN 0.368 nan 8.290 nan 0.000 0.533 67 S N -0.540 115.153 115.700 -0.012 0.000 2.661 67 S HA 0.314 4.784 4.470 -0.000 0.000 0.265 67 S C 1.857 176.429 174.600 -0.048 0.000 1.225 67 S CA 0.388 58.575 58.200 -0.022 0.000 0.986 67 S CB 1.253 64.453 63.200 0.001 0.000 1.008 67 S HN 0.417 nan 8.310 nan 0.000 0.565 68 S N 0.053 115.728 115.700 -0.042 0.000 2.474 68 S HA -0.019 4.451 4.470 -0.000 0.000 0.235 68 S C 1.693 176.268 174.600 -0.042 0.000 0.997 68 S CA 0.552 58.723 58.200 -0.048 0.000 0.949 68 S CB -1.043 62.131 63.200 -0.042 0.000 0.766 68 S HN 0.621 nan 8.310 nan 0.000 0.517 69 L N 1.668 122.881 121.223 -0.016 0.000 2.187 69 L HA -0.106 4.234 4.340 -0.000 0.000 0.213 69 L C 2.536 179.401 176.870 -0.009 0.000 1.100 69 L CA 1.422 56.272 54.840 0.018 0.000 0.765 69 L CB -0.905 41.197 42.059 0.071 0.000 0.904 69 L HN 0.411 nan 8.230 nan 0.000 0.437 70 N N 0.248 118.877 118.700 -0.119 0.000 2.519 70 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 70 N C 1.258 176.645 175.510 -0.206 0.000 1.062 70 N CA 0.898 53.754 53.050 -0.323 0.000 0.910 70 N CB -0.032 38.132 38.487 -0.538 0.000 0.958 70 N HN 0.399 nan 8.380 nan 0.000 0.445 71 N N -1.264 117.366 118.700 -0.117 0.000 2.325 71 N HA -0.005 4.735 4.740 -0.000 0.000 0.182 71 N C -0.389 175.087 175.510 -0.056 0.000 1.088 71 N CA -0.102 52.898 53.050 -0.082 0.000 0.879 71 N CB 0.365 38.820 38.487 -0.053 0.000 0.983 71 N HN -0.007 nan 8.380 nan 0.000 0.471 72 K N 0.675 121.044 120.400 -0.052 0.000 2.156 72 K HA 0.196 4.516 4.320 -0.000 0.000 0.271 72 K C -1.591 174.957 176.600 -0.087 0.000 0.995 72 K CA -0.396 55.872 56.287 -0.031 0.000 0.890 72 K CB 0.356 32.864 32.500 0.013 0.000 1.073 72 K HN -0.103 nan 8.250 nan 0.000 0.454 73 Y N 1.673 121.878 120.300 -0.159 0.000 2.328 73 Y HA 0.257 4.807 4.550 -0.000 0.000 0.337 73 Y C 0.068 175.888 175.900 -0.133 0.000 1.008 73 Y CA 0.256 58.219 58.100 -0.229 0.000 1.129 73 Y CB 1.558 39.658 38.460 -0.600 0.000 1.185 73 Y HN 0.709 nan 8.280 nan 0.000 0.476 74 S N 1.219 117.036 115.700 0.195 0.000 2.828 74 S HA 0.156 4.626 4.470 -0.000 0.000 0.240 74 S C 0.485 175.167 174.600 0.137 0.000 0.912 74 S CA -0.660 57.675 58.200 0.224 0.000 1.100 74 S CB -0.120 63.129 63.200 0.082 0.000 1.271 74 S HN 0.798 nan 8.310 nan 0.000 0.476 75 E N 1.582 121.943 120.200 0.268 0.000 2.233 75 E HA -0.224 4.126 4.350 -0.000 0.000 0.210 75 E C 1.548 177.702 176.600 -0.743 0.000 1.046 75 E CA 1.923 58.176 56.400 -0.246 0.000 0.844 75 E CB -0.397 29.245 29.700 -0.096 0.000 0.741 75 E HN 0.763 nan 8.360 nan 0.000 0.465 76 G N -0.679 108.010 108.800 -0.184 0.000 2.935 76 G HA2 0.224 4.184 3.960 -0.000 0.000 0.157 76 G HA3 0.224 4.184 3.960 -0.000 0.000 0.157 76 G C -0.273 174.402 174.900 -0.375 0.000 1.712 76 G CA -0.105 44.923 45.100 -0.121 0.000 1.071 76 G HN 0.103 nan 8.290 nan 0.000 0.539 77 Y N -1.613 118.707 120.300 0.033 0.000 2.609 77 Y HA 0.388 4.938 4.550 -0.000 0.000 0.342 77 Y C -1.695 174.216 175.900 0.018 0.000 1.058 77 Y CA -1.541 56.575 58.100 0.026 0.000 1.055 77 Y CB 2.238 40.729 38.460 0.052 0.000 1.292 77 Y HN 0.170 nan 8.280 nan 0.000 0.476 78 P HA -0.145 nan 4.420 nan 0.000 0.224 78 P C 0.966 178.318 177.300 0.087 0.000 1.142 78 P CA 1.868 65.032 63.100 0.106 0.000 0.778 78 P CB 0.191 31.948 31.700 0.096 0.000 0.764 79 G N 0.033 108.906 108.800 0.121 0.000 2.654 79 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.215 79 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.215 79 G C 0.196 175.121 174.900 0.042 0.000 1.310 79 G CA 0.231 45.373 45.100 0.070 0.000 0.866 79 G HN 0.374 nan 8.290 nan 0.000 0.558 80 Q N -0.002 119.826 119.800 0.047 0.000 2.325 80 Q HA 0.657 4.997 4.340 -0.000 0.000 0.270 80 Q C -0.740 175.214 176.000 -0.076 0.000 1.020 80 Q CA -0.997 54.782 55.803 -0.041 0.000 0.785 80 Q CB 2.306 30.988 28.738 -0.094 0.000 1.259 80 Q HN 0.077 nan 8.270 nan 0.000 0.452 81 R N 1.854 122.301 120.500 -0.088 0.000 2.596 81 R HA 0.265 4.605 4.340 -0.000 0.000 0.267 81 R C -0.374 175.800 176.300 -0.210 0.000 1.026 81 R CA -0.674 55.393 56.100 -0.056 0.000 1.087 81 R CB 0.439 30.763 30.300 0.040 0.000 1.132 81 R HN 0.788 nan 8.270 nan 0.000 0.531 82 Y N -0.384 119.850 120.300 -0.111 0.000 2.571 82 Y HA 0.250 4.800 4.550 -0.000 0.000 0.275 82 Y C -0.478 175.111 175.900 -0.518 0.000 1.179 82 Y CA -0.023 57.896 58.100 -0.302 0.000 1.242 82 Y CB 0.285 38.503 38.460 -0.403 0.000 1.126 82 Y HN 0.399 nan 8.280 nan 0.000 0.524 83 Y N -1.412 118.956 120.300 0.113 0.000 2.655 83 Y HA 0.682 5.232 4.550 -0.000 0.000 0.336 83 Y C 0.490 176.417 175.900 0.044 0.000 1.154 83 Y CA -2.052 56.096 58.100 0.081 0.000 1.055 83 Y CB 1.054 39.576 38.460 0.103 0.000 1.295 83 Y HN -0.160 nan 8.280 nan 0.000 0.465 84 G N -1.026 107.914 108.800 0.233 0.000 2.489 84 G HA2 0.487 4.447 3.960 -0.000 0.000 0.327 84 G HA3 0.487 4.447 3.960 -0.000 0.000 0.327 84 G C 0.357 175.315 174.900 0.097 0.000 1.189 84 G CA -0.574 44.597 45.100 0.119 0.000 0.962 84 G HN 1.476 nan 8.290 nan 0.000 0.486 85 G N -0.774 108.057 108.800 0.052 0.000 2.132 85 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.228 85 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.228 85 G C 0.905 175.832 174.900 0.045 0.000 1.000 85 G CA 1.272 46.398 45.100 0.044 0.000 0.693 85 G HN 1.768 nan 8.290 nan 0.000 0.515 86 T N -2.319 112.252 114.554 0.028 0.000 3.188 86 T HA 0.359 4.709 4.350 -0.000 0.000 0.250 86 T C 1.393 176.070 174.700 -0.039 0.000 1.077 86 T CA 0.861 62.980 62.100 0.032 0.000 0.967 86 T CB 0.610 69.511 68.868 0.056 0.000 1.006 86 T HN 0.366 nan 8.240 nan 0.000 0.552 87 E N 0.728 120.834 120.200 -0.156 0.000 2.097 87 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 87 E C 0.903 177.287 176.600 -0.361 0.000 1.000 87 E CA 1.331 57.536 56.400 -0.325 0.000 0.804 87 E CB -0.154 29.216 29.700 -0.550 0.000 0.740 87 E HN 0.638 nan 8.360 nan 0.000 0.454 88 F N 0.303 120.266 119.950 0.022 0.000 2.270 88 F HA -0.035 4.492 4.527 -0.000 0.000 0.295 88 F C 2.298 178.109 175.800 0.020 0.000 1.087 88 F CA 0.224 58.235 58.000 0.018 0.000 1.365 88 F CB -0.301 38.708 39.000 0.015 0.000 1.056 88 F HN 0.034 nan 8.300 nan 0.000 0.506 89 I N 0.299 120.975 120.570 0.178 0.000 2.361 89 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 89 I C 1.746 177.909 176.117 0.076 0.000 1.133 89 I CA 1.364 62.732 61.300 0.113 0.000 1.413 89 I CB -1.113 36.938 38.000 0.084 0.000 1.073 89 I HN 0.111 nan 8.210 nan 0.000 0.424 90 D N 0.685 121.115 120.400 0.051 0.000 2.144 90 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 90 D C 2.146 178.473 176.300 0.044 0.000 0.978 90 D CA 0.900 54.921 54.000 0.035 0.000 0.833 90 D CB -0.027 40.776 40.800 0.004 0.000 0.961 90 D HN 0.406 nan 8.370 nan 0.000 0.470 91 E N 0.019 120.254 120.200 0.058 0.000 2.023 91 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 91 E C 2.084 178.726 176.600 0.071 0.000 1.003 91 E CA 0.505 56.949 56.400 0.074 0.000 0.809 91 E CB -0.154 29.625 29.700 0.133 0.000 0.755 91 E HN 0.088 nan 8.360 nan 0.000 0.449 92 L N 1.967 123.241 121.223 0.085 0.000 1.990 92 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 92 L C 1.325 178.224 176.870 0.047 0.000 1.072 92 L CA 1.777 56.656 54.840 0.064 0.000 0.755 92 L CB -0.569 41.532 42.059 0.070 0.000 0.889 92 L HN 0.048 nan 8.230 nan 0.000 0.432 96 C N 0.842 120.153 119.300 0.019 0.000 2.446 96 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 96 C C 2.474 177.473 174.990 0.014 0.000 1.275 96 C CA 1.697 60.724 59.018 0.013 0.000 1.727 96 C CB -0.698 27.049 27.740 0.011 0.000 2.010 96 C HN 0.683 nan 8.230 nan 0.000 0.486 97 Q N 0.177 119.985 119.800 0.014 0.000 2.084 97 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 97 Q C 2.400 178.416 176.000 0.026 0.000 0.978 97 Q CA 1.360 57.169 55.803 0.010 0.000 0.844 97 Q CB -0.324 28.426 28.738 0.019 0.000 0.898 97 Q HN 0.623 nan 8.270 nan 0.000 0.426 98 K N 1.404 121.817 120.400 0.023 0.000 2.002 98 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 98 K C 1.997 178.603 176.600 0.010 0.000 1.048 98 K CA 1.247 57.544 56.287 0.018 0.000 0.930 98 K CB -0.022 32.484 32.500 0.011 0.000 0.714 98 K HN 0.117 nan 8.250 nan 0.000 0.438 99 R N -0.019 120.484 120.500 0.005 0.000 2.152 99 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 99 R C 2.315 178.628 176.300 0.022 0.000 1.117 99 R CA 1.000 57.094 56.100 -0.011 0.000 0.981 99 R CB -0.245 30.044 30.300 -0.018 0.000 0.870 99 R HN 0.237 nan 8.270 nan 0.000 0.451 100 A N 1.316 124.187 122.820 0.085 0.000 1.873 100 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 100 A C 2.142 179.902 177.584 0.293 0.000 1.186 100 A CA 0.998 53.178 52.037 0.238 0.000 0.616 100 A CB -0.459 18.655 19.000 0.189 0.000 0.823 100 A HN 0.163 nan 8.150 nan 0.000 0.442 101 L N -0.688 120.639 121.223 0.173 0.000 2.141 101 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 101 L C 2.900 179.727 176.870 -0.073 0.000 1.094 101 L CA 1.296 56.174 54.840 0.063 0.000 0.763 101 L CB -0.661 41.432 42.059 0.058 0.000 0.908 101 L HN 0.534 nan 8.230 nan 0.000 0.437 102 Q N 0.043 119.794 119.800 -0.082 0.000 1.967 102 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 102 Q C 2.466 178.286 176.000 -0.300 0.000 0.985 102 Q CA 1.579 57.267 55.803 -0.193 0.000 0.839 102 Q CB -0.379 28.266 28.738 -0.155 0.000 0.906 102 Q HN 0.515 nan 8.270 nan 0.000 0.423 103 A N 0.380 123.055 122.820 -0.242 0.000 2.067 103 A HA -0.217 4.103 4.320 -0.000 0.000 0.224 103 A C 1.098 178.336 177.584 -0.577 0.000 1.172 103 A CA 1.669 53.477 52.037 -0.381 0.000 0.662 103 A CB -0.689 18.091 19.000 -0.365 0.000 0.814 103 A HN 0.494 nan 8.150 nan 0.000 0.468 104 Y N -2.107 118.007 120.300 -0.311 0.000 2.681 104 Y HA 0.315 4.865 4.550 -0.000 0.000 0.267 104 Y C 0.273 175.950 175.900 -0.371 0.000 1.166 104 Y CA -0.336 57.496 58.100 -0.446 0.000 1.209 104 Y CB -0.328 37.519 38.460 -1.021 0.000 1.161 104 Y HN 0.519 nan 8.280 nan 0.000 0.534 105 H N -0.141 118.774 119.070 -0.258 0.000 2.527 105 H HA -0.182 4.374 4.556 -0.000 0.000 0.321 105 H C -0.863 174.329 175.328 -0.227 0.000 1.092 105 H CA 0.366 56.299 56.048 -0.191 0.000 1.118 105 H CB -1.727 27.948 29.762 -0.144 0.000 1.536 105 H HN 0.326 nan 8.280 nan 0.000 0.407 106 L N 0.543 121.642 121.223 -0.207 0.000 2.307 106 L HA 0.263 4.603 4.340 -0.000 0.000 0.284 106 L C 0.619 177.499 176.870 0.017 0.000 1.023 106 L CA -0.887 53.831 54.840 -0.202 0.000 0.810 106 L CB 1.313 43.082 42.059 -0.483 0.000 1.231 106 L HN 0.204 nan 8.230 nan 0.000 0.423 107 D N 5.553 126.041 120.400 0.146 0.000 2.346 107 D HA 0.079 4.719 4.640 -0.000 0.000 0.260 107 D C -1.331 175.080 176.300 0.186 0.000 1.252 107 D CA -1.702 52.386 54.000 0.146 0.000 0.895 107 D CB 1.101 41.991 40.800 0.150 0.000 1.097 107 D HN 0.242 nan 8.370 nan 0.000 0.489 108 P HA -0.182 nan 4.420 nan 0.000 0.231 108 P C 0.674 178.040 177.300 0.110 0.000 1.154 108 P CA 0.806 63.977 63.100 0.119 0.000 0.762 108 P CB 0.431 32.176 31.700 0.075 0.000 0.790 109 Q N -1.150 118.714 119.800 0.106 0.000 2.302 109 Q HA 0.015 4.355 4.340 -0.000 0.000 0.202 109 Q C 1.907 177.951 176.000 0.075 0.000 0.936 109 Q CA 1.053 56.907 55.803 0.085 0.000 0.886 109 Q CB -0.398 28.385 28.738 0.075 0.000 0.986 109 Q HN 0.374 nan 8.270 nan 0.000 0.487 110 C N -1.656 117.689 119.300 0.075 0.000 3.230 110 C HA 0.251 4.711 4.460 -0.000 0.000 0.300 110 C C 0.263 175.059 174.990 -0.324 0.000 1.292 110 C CA -0.808 58.165 59.018 -0.075 0.000 1.707 110 C CB -0.330 27.372 27.740 -0.064 0.000 2.181 110 C HN 0.334 nan 8.230 nan 0.000 0.655 111 W N 0.117 121.438 121.300 0.035 0.000 2.962 111 W HA 0.621 5.281 4.660 -0.000 0.000 0.341 111 W C 0.183 176.653 176.519 -0.083 0.000 1.155 111 W CA -0.139 57.198 57.345 -0.014 0.000 1.165 111 W CB 1.006 30.463 29.460 -0.005 0.000 1.435 111 W HN 0.112 nan 8.180 nan 0.000 0.546 112 G N 0.099 108.869 108.800 -0.051 0.000 2.690 112 G HA2 0.744 4.704 3.960 -0.000 0.000 0.291 112 G HA3 0.744 4.704 3.960 -0.000 0.000 0.291 112 G C -1.951 172.505 174.900 -0.740 0.000 1.403 112 G CA -0.811 44.078 45.100 -0.351 0.000 0.864 112 G HN 0.450 nan 8.290 nan 0.000 0.480 113 V N -0.056 119.595 119.914 -0.439 0.000 3.160 113 V HA 0.679 4.799 4.120 -0.000 0.000 0.310 113 V C -0.880 175.146 176.094 -0.114 0.000 1.181 113 V CA -1.317 60.727 62.300 -0.427 0.000 1.047 113 V CB 2.312 33.839 31.823 -0.494 0.000 1.068 113 V HN 0.738 nan 8.190 nan 0.000 0.441 114 N N 0.907 119.549 118.700 -0.097 0.000 2.461 114 N HA 0.368 5.108 4.740 -0.000 0.000 0.284 114 N C -0.371 175.103 175.510 -0.060 0.000 1.049 114 N CA -0.198 52.881 53.050 0.048 0.000 0.889 114 N CB 2.304 40.879 38.487 0.147 0.000 1.365 114 N HN 0.738 nan 8.380 nan 0.000 0.499 115 V N 1.329 121.225 119.914 -0.029 0.000 3.177 115 V HA 0.306 4.426 4.120 -0.000 0.000 0.342 115 V C 0.992 177.053 176.094 -0.055 0.000 1.379 115 V CA 0.119 62.382 62.300 -0.062 0.000 1.191 115 V CB 0.064 31.858 31.823 -0.047 0.000 1.167 115 V HN 0.555 nan 8.190 nan 0.000 0.471 116 Q N 0.347 120.110 119.800 -0.061 0.000 2.384 116 Q HA 0.227 4.567 4.340 -0.000 0.000 0.207 116 Q C -1.763 174.080 176.000 -0.262 0.000 0.904 116 Q CA -0.802 54.913 55.803 -0.147 0.000 0.933 116 Q CB -0.298 28.341 28.738 -0.165 0.000 1.077 116 Q HN 0.549 nan 8.270 nan 0.000 0.522 117 P HA -0.109 nan 4.420 nan 0.000 0.263 117 P C -0.361 176.841 177.300 -0.164 0.000 1.195 117 P CA 0.513 63.484 63.100 -0.214 0.000 0.762 117 P CB 0.202 31.849 31.700 -0.090 0.000 0.799 118 Y N 1.224 121.467 120.300 -0.095 0.000 2.256 118 Y HA -0.066 4.484 4.550 -0.000 0.000 0.288 118 Y C 1.653 177.538 175.900 -0.026 0.000 1.155 118 Y CA 1.133 59.162 58.100 -0.119 0.000 1.203 118 Y CB -0.245 38.127 38.460 -0.146 0.000 0.980 118 Y HN 0.320 nan 8.280 nan 0.000 0.530 119 S N -2.952 112.834 115.700 0.143 0.000 2.694 119 S HA 0.483 4.953 4.470 -0.000 0.000 0.273 119 S C 1.094 175.764 174.600 0.117 0.000 1.180 119 S CA -0.312 57.978 58.200 0.148 0.000 0.864 119 S CB 0.225 63.519 63.200 0.158 0.000 1.198 119 S HN 0.199 nan 8.310 nan 0.000 0.499 120 G N 1.517 110.398 108.800 0.136 0.000 2.484 120 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.215 120 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.215 120 G C 1.491 176.431 174.900 0.068 0.000 1.219 120 G CA 1.526 46.666 45.100 0.066 0.000 0.791 120 G HN 0.687 nan 8.290 nan 0.000 0.550 121 S N 1.899 117.668 115.700 0.116 0.000 2.380 121 S HA -0.113 4.357 4.470 -0.000 0.000 0.229 121 S C 0.262 174.952 174.600 0.150 0.000 1.043 121 S CA 1.901 60.205 58.200 0.172 0.000 1.038 121 S CB -0.972 62.355 63.200 0.211 0.000 0.872 121 S HN 0.311 nan 8.310 nan 0.000 0.456 122 P HA -0.045 nan 4.420 nan 0.000 0.215 122 P C 1.550 178.886 177.300 0.060 0.000 1.153 122 P CA 1.472 64.631 63.100 0.098 0.000 0.853 122 P CB -0.135 31.614 31.700 0.082 0.000 0.788 123 A N -0.238 122.594 122.820 0.019 0.000 1.883 123 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 123 A C 2.149 179.681 177.584 -0.087 0.000 1.186 123 A CA 2.128 54.149 52.037 -0.026 0.000 0.624 123 A CB -1.537 17.450 19.000 -0.021 0.000 0.822 123 A HN 0.136 nan 8.150 nan 0.000 0.444 124 N N -0.927 117.711 118.700 -0.104 0.000 2.039 124 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 124 N C 1.486 176.568 175.510 -0.712 0.000 1.044 124 N CA 1.595 54.425 53.050 -0.366 0.000 0.847 124 N CB -0.765 37.627 38.487 -0.157 0.000 1.030 124 N HN 0.498 nan 8.380 nan 0.000 0.422 125 F N 1.762 121.488 119.950 -0.373 0.000 2.154 125 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 125 F C 2.208 177.923 175.800 -0.141 0.000 1.087 125 F CA 1.307 59.216 58.000 -0.151 0.000 1.274 125 F CB -0.235 38.824 39.000 0.097 0.000 1.009 125 F HN 0.059 nan 8.300 nan 0.000 0.485 126 A N -0.593 122.238 122.820 0.018 0.000 1.902 126 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 126 A C 2.278 179.782 177.584 -0.133 0.000 1.181 126 A CA 1.997 54.029 52.037 -0.008 0.000 0.623 126 A CB -1.264 17.734 19.000 -0.003 0.000 0.818 126 A HN 0.243 nan 8.150 nan 0.000 0.443 127 V N -1.119 118.640 119.914 -0.259 0.000 2.379 127 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 127 V C 2.410 178.369 176.094 -0.224 0.000 1.044 127 V CA 1.691 63.845 62.300 -0.242 0.000 1.036 127 V CB -1.131 30.546 31.823 -0.244 0.000 0.664 127 V HN 0.637 nan 8.190 nan 0.000 0.453 128 Y N 1.012 121.126 120.300 -0.311 0.000 2.181 128 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 128 Y C 2.831 178.469 175.900 -0.437 0.000 1.146 128 Y CA 1.317 59.056 58.100 -0.602 0.000 1.164 128 Y CB -1.913 35.819 38.460 -1.213 0.000 0.982 128 Y HN 0.202 nan 8.280 nan 0.000 0.515 129 T N 0.092 114.566 114.554 -0.132 0.000 2.746 129 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 129 T C 2.209 176.918 174.700 0.015 0.000 1.039 129 T CA 1.503 63.622 62.100 0.031 0.000 1.142 129 T CB -0.535 68.342 68.868 0.015 0.000 0.866 129 T HN 0.446 nan 8.240 nan 0.000 0.444 130 A N 0.689 123.484 122.820 -0.043 0.000 1.898 130 A HA 0.191 4.511 4.320 -0.000 0.000 0.214 130 A C 2.152 179.709 177.584 -0.045 0.000 1.183 130 A CA 0.921 52.928 52.037 -0.050 0.000 0.622 130 A CB -0.391 18.553 19.000 -0.092 0.000 0.824 130 A HN 0.478 nan 8.150 nan 0.000 0.444 131 L N -1.338 119.847 121.223 -0.065 0.000 2.470 131 L HA 0.080 4.420 4.340 -0.000 0.000 0.219 131 L C 2.049 178.954 176.870 0.057 0.000 1.071 131 L CA 0.216 55.038 54.840 -0.029 0.000 0.850 131 L CB -0.002 41.952 42.059 -0.175 0.000 1.040 131 L HN 0.169 nan 8.230 nan 0.000 0.475 132 V N -1.033 118.890 119.914 0.014 0.000 2.575 132 V HA 0.061 4.181 4.120 -0.000 0.000 0.242 132 V C 0.283 176.462 176.094 0.141 0.000 1.045 132 V CA 0.261 62.580 62.300 0.031 0.000 1.065 132 V CB -0.209 31.512 31.823 -0.170 0.000 0.717 132 V HN 0.460 nan 8.190 nan 0.000 0.467 133 E N -1.069 119.267 120.200 0.228 0.000 8.389 133 E HA -0.147 4.203 4.350 -0.000 0.000 0.467 133 E C -2.636 174.151 176.600 0.312 0.000 0.984 133 E CA -0.278 56.269 56.400 0.244 0.000 1.717 133 E CB -1.030 28.748 29.700 0.131 0.000 0.997 133 E HN 0.276 nan 8.360 nan 0.000 0.263 134 P HA -0.162 nan 4.420 nan 0.000 0.259 134 P C -0.228 177.053 177.300 -0.031 0.000 1.155 134 P CA 1.069 64.072 63.100 -0.162 0.000 0.759 134 P CB 0.134 31.754 31.700 -0.134 0.000 0.753 135 H N -0.906 118.193 119.070 0.049 0.000 3.641 135 H HA -0.154 4.402 4.556 -0.000 0.000 0.193 135 H C 1.019 176.425 175.328 0.131 0.000 1.013 135 H CA 1.222 57.320 56.048 0.083 0.000 1.212 135 H CB -1.979 27.805 29.762 0.037 0.000 1.089 135 H HN 0.624 nan 8.280 nan 0.000 0.339 136 G N 0.956 109.928 108.800 0.286 0.000 2.544 136 G HA2 0.336 4.296 3.960 -0.000 0.000 0.242 136 G HA3 0.336 4.296 3.960 -0.000 0.000 0.242 136 G C 0.342 175.330 174.900 0.145 0.000 1.247 136 G CA -0.542 44.668 45.100 0.183 0.000 0.840 136 G HN 0.195 nan 8.290 nan 0.000 0.578 137 R N 0.372 120.880 120.500 0.014 0.000 2.357 137 R HA 0.521 4.861 4.340 -0.000 0.000 0.296 137 R C -0.124 176.214 176.300 0.064 0.000 1.052 137 R CA -0.136 55.950 56.100 -0.024 0.000 0.988 137 R CB 1.086 31.106 30.300 -0.466 0.000 1.025 137 R HN 0.408 nan 8.270 nan 0.000 0.469 141 L N 1.287 121.970 121.223 -0.900 0.000 2.361 141 L HA 0.495 4.835 4.340 -0.000 0.000 0.278 141 L C 0.385 177.019 176.870 -0.394 0.000 1.113 141 L CA -0.508 53.782 54.840 -0.916 0.000 0.849 141 L CB 0.672 42.418 42.059 -0.522 0.000 1.155 141 L HN 0.580 nan 8.230 nan 0.000 0.452 142 D N 3.007 123.214 120.400 -0.322 0.000 2.601 142 D HA -0.161 4.479 4.640 -0.000 0.000 0.229 142 D C 1.233 177.462 176.300 -0.118 0.000 1.140 142 D CA 0.648 54.571 54.000 -0.128 0.000 0.862 142 D CB 0.660 41.411 40.800 -0.080 0.000 1.192 142 D HN 0.690 nan 8.370 nan 0.000 0.480 143 L N 5.407 126.566 121.223 -0.107 0.000 1.971 143 L HA -0.095 4.245 4.340 -0.000 0.000 0.215 143 L C -0.717 176.017 176.870 -0.228 0.000 1.072 143 L CA 1.162 55.812 54.840 -0.316 0.000 0.758 143 L CB -0.790 40.711 42.059 -0.929 0.000 0.889 143 L HN 0.587 nan 8.230 nan 0.000 0.433 144 P HA -0.067 nan 4.420 nan 0.000 0.239 144 P C -0.072 177.193 177.300 -0.059 0.000 1.184 144 P CA 1.120 64.167 63.100 -0.087 0.000 0.760 144 P CB -0.033 31.648 31.700 -0.032 0.000 0.884 145 D N -1.208 119.149 120.400 -0.071 0.000 2.369 145 D HA 0.245 4.885 4.640 -0.000 0.000 0.211 145 D C 1.543 177.814 176.300 -0.047 0.000 1.077 145 D CA 0.836 54.806 54.000 -0.049 0.000 0.842 145 D CB 0.281 41.040 40.800 -0.069 0.000 0.947 145 D HN 0.177 nan 8.370 nan 0.000 0.509 146 G N -0.490 108.265 108.800 -0.075 0.000 2.367 146 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.181 146 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.181 146 G C 0.810 175.659 174.900 -0.084 0.000 1.000 146 G CA -0.264 44.802 45.100 -0.057 0.000 0.693 146 G HN 0.498 nan 8.290 nan 0.000 0.480 147 G N -0.667 108.068 108.800 -0.109 0.000 2.621 147 G HA2 0.494 4.454 3.960 -0.000 0.000 0.271 147 G HA3 0.494 4.454 3.960 -0.000 0.000 0.271 147 G C -0.386 174.462 174.900 -0.088 0.000 1.236 147 G CA 0.176 45.252 45.100 -0.040 0.000 0.958 147 G HN 0.520 nan 8.290 nan 0.000 0.512 148 H N -0.504 118.389 119.070 -0.294 0.000 2.573 148 H HA 0.273 4.829 4.556 -0.000 0.000 0.351 148 H C 1.313 176.468 175.328 -0.288 0.000 1.163 148 H CA -0.826 54.965 56.048 -0.428 0.000 1.205 148 H CB 1.783 31.125 29.762 -0.700 0.000 1.605 148 H HN 0.276 nan 8.280 nan 0.000 0.525 149 L N 1.764 122.430 121.223 -0.928 0.000 1.991 149 L HA -0.273 4.067 4.340 -0.000 0.000 0.221 149 L C 2.464 179.284 176.870 -0.083 0.000 1.079 149 L CA 2.517 57.074 54.840 -0.472 0.000 0.778 149 L CB -0.720 41.047 42.059 -0.487 0.000 0.893 149 L HN 0.760 nan 8.230 nan 0.000 0.437 150 T N -4.371 110.191 114.554 0.013 0.000 3.320 150 T HA -0.149 4.201 4.350 -0.000 0.000 0.258 150 T C 0.817 175.855 174.700 0.564 0.000 1.176 150 T CA 0.670 63.024 62.100 0.422 0.000 1.037 150 T CB -0.842 68.364 68.868 0.563 0.000 0.958 150 T HN 0.502 nan 8.240 nan 0.000 0.545 151 H N 0.833 120.060 119.070 0.261 0.000 2.503 151 H HA 0.463 5.019 4.556 -0.000 0.000 0.296 151 H C 1.067 176.422 175.328 0.045 0.000 1.097 151 H CA -0.551 55.586 56.048 0.148 0.000 1.055 151 H CB -0.080 29.736 29.762 0.091 0.000 1.580 151 H HN 0.567 nan 8.280 nan 0.000 0.546 152 G N 1.634 110.552 108.800 0.197 0.000 3.038 152 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.241 152 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.241 152 G C -0.902 174.110 174.900 0.187 0.000 0.968 152 G CA -0.194 44.987 45.100 0.135 0.000 0.949 152 G HN 0.352 nan 8.290 nan 0.000 0.394 156 D N 0.346 120.695 120.400 -0.085 0.000 2.203 156 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 156 D C 1.582 177.846 176.300 -0.059 0.000 0.997 156 D CA 2.113 56.077 54.000 -0.060 0.000 0.863 156 D CB 0.147 40.923 40.800 -0.040 0.000 0.928 156 D HN 0.475 nan 8.370 nan 0.000 0.458 157 K N -0.303 120.056 120.400 -0.068 0.000 2.312 157 K HA 0.247 4.567 4.320 -0.000 0.000 0.206 157 K C 0.140 176.696 176.600 -0.073 0.000 1.121 157 K CA 0.393 56.645 56.287 -0.059 0.000 0.923 157 K CB 0.220 32.694 32.500 -0.044 0.000 1.162 157 K HN -0.023 nan 8.250 nan 0.000 0.478 158 K N 0.823 121.164 120.400 -0.098 0.000 2.156 158 K HA 0.302 4.622 4.320 -0.000 0.000 0.250 158 K C -1.018 175.482 176.600 -0.167 0.000 0.955 158 K CA -0.603 55.618 56.287 -0.110 0.000 0.855 158 K CB 1.195 33.642 32.500 -0.087 0.000 1.101 158 K HN -0.140 nan 8.250 nan 0.000 0.434 159 K N 4.620 124.937 120.400 -0.138 0.000 2.292 159 K HA 0.249 4.569 4.320 -0.000 0.000 0.270 159 K C 0.599 177.122 176.600 -0.128 0.000 1.062 159 K CA -0.482 55.713 56.287 -0.154 0.000 0.916 159 K CB 0.880 33.316 32.500 -0.106 0.000 1.166 159 K HN 0.481 nan 8.250 nan 0.000 0.458 160 I N 0.436 120.897 120.570 -0.181 0.000 2.494 160 I HA -0.065 4.105 4.170 -0.000 0.000 0.250 160 I C 1.231 177.391 176.117 0.072 0.000 1.112 160 I CA 0.930 62.206 61.300 -0.039 0.000 1.438 160 I CB -0.231 37.786 38.000 0.029 0.000 1.111 160 I HN 0.382 nan 8.210 nan 0.000 0.431 161 S N 0.400 116.165 115.700 0.108 0.000 2.585 161 S HA 0.525 4.995 4.470 -0.000 0.000 0.277 161 S C 1.247 175.964 174.600 0.194 0.000 1.241 161 S CA 0.035 58.346 58.200 0.185 0.000 1.041 161 S CB 1.791 65.143 63.200 0.254 0.000 0.987 161 S HN 0.280 nan 8.310 nan 0.000 0.512 162 A N 3.653 126.635 122.820 0.271 0.000 1.978 162 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 162 A C 2.122 180.049 177.584 0.571 0.000 1.170 162 A CA 2.403 54.673 52.037 0.389 0.000 0.636 162 A CB -1.554 17.698 19.000 0.420 0.000 0.810 162 A HN 0.865 nan 8.150 nan 0.000 0.448 163 T N 0.822 115.728 114.554 0.587 0.000 2.665 163 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 163 T C 2.189 177.139 174.700 0.418 0.000 1.035 163 T CA 2.136 64.603 62.100 0.611 0.000 1.151 163 T CB -0.495 68.632 68.868 0.432 0.000 0.862 163 T HN 0.806 nan 8.240 nan 0.000 0.438 164 S N 0.500 116.340 115.700 0.235 0.000 2.561 164 S HA 0.143 4.613 4.470 -0.000 0.000 0.225 164 S C 1.916 176.545 174.600 0.049 0.000 0.977 164 S CA 0.225 58.501 58.200 0.127 0.000 0.926 164 S CB -0.581 62.645 63.200 0.043 0.000 0.769 164 S HN 0.475 nan 8.310 nan 0.000 0.533 165 I N -0.479 120.088 120.570 -0.004 0.000 2.429 165 I HA 0.098 4.268 4.170 -0.000 0.000 0.247 165 I C 1.433 177.298 176.117 -0.420 0.000 1.099 165 I CA 0.996 62.147 61.300 -0.249 0.000 1.422 165 I CB -0.129 37.603 38.000 -0.448 0.000 1.112 165 I HN 0.222 nan 8.210 nan 0.000 0.430 166 F N -0.203 119.654 119.950 -0.155 0.000 2.776 166 F HA 0.215 4.742 4.527 -0.000 0.000 0.300 166 F C 0.320 175.523 175.800 -0.996 0.000 1.116 166 F CA 0.151 57.806 58.000 -0.575 0.000 1.375 166 F CB 0.011 38.650 39.000 -0.603 0.000 1.109 166 F HN -0.174 nan 8.300 nan 0.000 0.585 167 F N -0.854 119.136 119.950 0.066 0.000 2.640 167 F HA 0.474 5.001 4.527 -0.000 0.000 0.324 167 F C -0.056 175.784 175.800 0.067 0.000 1.077 167 F CA -1.523 56.490 58.000 0.021 0.000 0.965 167 F CB 0.797 39.779 39.000 -0.030 0.000 1.351 167 F HN -0.434 nan 8.300 nan 0.000 0.487 168 E N 1.330 121.711 120.200 0.301 0.000 2.081 168 E HA 0.361 4.711 4.350 -0.000 0.000 0.276 168 E C -0.604 176.191 176.600 0.324 0.000 0.950 168 E CA -0.275 56.285 56.400 0.268 0.000 0.776 168 E CB 1.490 31.333 29.700 0.240 0.000 1.094 168 E HN 0.633 nan 8.360 nan 0.000 0.402 172 Y N -0.945 119.274 120.300 -0.135 0.000 2.621 172 Y HA 0.881 5.431 4.550 -0.000 0.000 0.334 172 Y C 0.011 175.814 175.900 -0.162 0.000 1.074 172 Y CA -0.906 57.097 58.100 -0.162 0.000 1.149 172 Y CB 1.370 39.716 38.460 -0.189 0.000 1.302 172 Y HN 0.189 nan 8.280 nan 0.000 0.501 173 K N 0.767 121.209 120.400 0.070 0.000 2.261 173 K HA 0.726 5.046 4.320 -0.000 0.000 0.242 173 K C -1.076 175.490 176.600 -0.058 0.000 1.083 173 K CA -1.012 55.261 56.287 -0.024 0.000 0.880 173 K CB 2.267 34.737 32.500 -0.049 0.000 1.353 173 K HN 0.730 nan 8.250 nan 0.000 0.486 174 V N -1.587 118.303 119.914 -0.040 0.000 2.667 174 V HA 0.475 4.595 4.120 -0.000 0.000 0.308 174 V C -0.814 175.307 176.094 0.045 0.000 1.048 174 V CA -1.030 61.280 62.300 0.018 0.000 0.928 174 V CB 0.771 32.669 31.823 0.124 0.000 1.004 174 V HN 0.528 nan 8.190 nan 0.000 0.444 175 Y N 4.553 124.926 120.300 0.121 0.000 2.605 175 Y HA 0.269 4.819 4.550 -0.000 0.000 0.336 175 Y C -0.933 175.019 175.900 0.087 0.000 1.111 175 Y CA -1.382 56.777 58.100 0.098 0.000 1.422 175 Y CB 0.511 39.039 38.460 0.113 0.000 1.193 175 Y HN 0.535 nan 8.280 nan 0.000 0.526 176 P HA -0.231 nan 4.420 nan 0.000 0.218 176 P C 1.123 178.497 177.300 0.123 0.000 1.148 176 P CA 1.455 64.631 63.100 0.127 0.000 0.822 176 P CB 0.549 32.302 31.700 0.088 0.000 0.784 177 E N 0.301 120.586 120.200 0.140 0.000 2.077 177 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 177 E C 1.965 178.621 176.600 0.093 0.000 0.989 177 E CA 2.293 58.748 56.400 0.091 0.000 0.800 177 E CB -0.736 29.000 29.700 0.061 0.000 0.746 177 E HN 0.353 nan 8.360 nan 0.000 0.452 178 T N -5.123 109.522 114.554 0.151 0.000 2.975 178 T HA 0.325 4.675 4.350 -0.000 0.000 0.257 178 T C 1.446 176.288 174.700 0.237 0.000 1.003 178 T CA 0.625 62.841 62.100 0.194 0.000 0.932 178 T CB 0.608 69.599 68.868 0.205 0.000 1.087 178 T HN 0.291 nan 8.240 nan 0.000 0.512 179 G N 0.531 109.460 108.800 0.216 0.000 2.179 179 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 179 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 179 G C -0.178 174.796 174.900 0.123 0.000 0.977 179 G CA 0.210 45.376 45.100 0.110 0.000 0.641 179 G HN 0.636 nan 8.290 nan 0.000 0.533 180 Y N -0.027 120.455 120.300 0.302 0.000 2.352 180 Y HA 0.615 5.165 4.550 -0.000 0.000 0.326 180 Y C 1.483 177.640 175.900 0.427 0.000 1.166 180 Y CA -1.004 57.347 58.100 0.419 0.000 1.182 180 Y CB 0.842 39.514 38.460 0.354 0.000 1.216 180 Y HN 0.124 nan 8.280 nan 0.000 0.474 181 I N 3.019 123.914 120.570 0.541 0.000 2.741 181 I HA -0.145 4.025 4.170 -0.000 0.000 0.288 181 I C 0.526 176.654 176.117 0.019 0.000 1.192 181 I CA 0.330 61.666 61.300 0.060 0.000 1.426 181 I CB 0.233 38.016 38.000 -0.363 0.000 1.367 181 I HN 0.580 nan 8.210 nan 0.000 0.563 182 N N 7.018 125.527 118.700 -0.319 0.000 2.895 182 N HA 0.007 4.747 4.740 -0.000 0.000 0.277 182 N C 0.587 175.929 175.510 -0.281 0.000 1.185 182 N CA 0.064 52.769 53.050 -0.575 0.000 1.106 182 N CB 0.036 37.976 38.487 -0.911 0.000 1.422 182 N HN 0.359 nan 8.380 nan 0.000 0.521 183 Y N 0.208 120.416 120.300 -0.153 0.000 2.384 183 Y HA -0.152 4.398 4.550 -0.000 0.000 0.289 183 Y C 1.843 177.667 175.900 -0.127 0.000 1.152 183 Y CA 0.853 58.855 58.100 -0.162 0.000 1.258 183 Y CB 0.089 38.489 38.460 -0.100 0.000 0.979 183 Y HN 0.392 nan 8.280 nan 0.000 0.549 184 D N -0.354 120.090 120.400 0.073 0.000 2.123 184 D HA -0.187 4.453 4.640 -0.000 0.000 0.200 184 D C 2.084 178.370 176.300 -0.023 0.000 0.976 184 D CA 1.147 55.172 54.000 0.041 0.000 0.831 184 D CB -0.276 40.577 40.800 0.088 0.000 0.974 184 D HN 0.468 nan 8.370 nan 0.000 0.469 185 Q N 0.244 119.996 119.800 -0.081 0.000 2.119 185 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 185 Q C 2.265 178.208 176.000 -0.095 0.000 0.972 185 Q CA 0.655 56.407 55.803 -0.086 0.000 0.847 185 Q CB -0.043 28.625 28.738 -0.117 0.000 0.903 185 Q HN 0.136 nan 8.270 nan 0.000 0.433 186 L N 1.340 122.468 121.223 -0.157 0.000 1.989 186 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 186 L C 2.134 178.935 176.870 -0.114 0.000 1.071 186 L CA 2.397 57.119 54.840 -0.197 0.000 0.749 186 L CB -0.854 40.927 42.059 -0.464 0.000 0.890 186 L HN 0.320 nan 8.230 nan 0.000 0.431 187 E N -1.009 119.142 120.200 -0.082 0.000 2.118 187 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 187 E C 2.042 178.626 176.600 -0.026 0.000 0.992 187 E CA 1.183 57.562 56.400 -0.036 0.000 0.804 187 E CB -0.032 29.663 29.700 -0.008 0.000 0.741 187 E HN 0.534 nan 8.360 nan 0.000 0.458 188 E N 0.571 120.753 120.200 -0.029 0.000 2.017 188 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 188 E C 1.899 178.481 176.600 -0.029 0.000 0.997 188 E CA 0.924 57.310 56.400 -0.023 0.000 0.804 188 E CB -0.251 29.437 29.700 -0.020 0.000 0.757 188 E HN 0.278 nan 8.360 nan 0.000 0.448 189 N N 0.814 119.492 118.700 -0.036 0.000 2.166 189 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 189 N C 1.706 177.210 175.510 -0.009 0.000 1.019 189 N CA 1.264 54.294 53.050 -0.033 0.000 0.856 189 N CB -0.437 38.017 38.487 -0.055 0.000 0.993 189 N HN 0.147 nan 8.380 nan 0.000 0.426 190 A N 0.834 123.652 122.820 -0.002 0.000 1.978 190 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 190 A C 2.400 179.955 177.584 -0.048 0.000 1.170 190 A CA 2.127 54.182 52.037 0.030 0.000 0.636 190 A CB -0.748 18.267 19.000 0.024 0.000 0.810 190 A HN 0.487 nan 8.150 nan 0.000 0.448 191 S N -0.360 115.296 115.700 -0.074 0.000 2.402 191 S HA -0.017 4.453 4.470 -0.000 0.000 0.229 191 S C 1.717 176.128 174.600 -0.316 0.000 1.021 191 S CA 1.354 59.475 58.200 -0.131 0.000 0.974 191 S CB -0.528 62.641 63.200 -0.051 0.000 0.800 191 S HN 0.459 nan 8.310 nan 0.000 0.484 192 L N -1.248 119.848 121.223 -0.211 0.000 2.307 192 L HA 0.323 4.663 4.340 -0.000 0.000 0.211 192 L C 2.240 178.992 176.870 -0.197 0.000 1.099 192 L CA 0.670 55.398 54.840 -0.187 0.000 0.816 192 L CB -0.320 41.718 42.059 -0.035 0.000 0.952 192 L HN 0.295 nan 8.230 nan 0.000 0.455 193 F N 0.148 119.904 119.950 -0.323 0.000 2.505 193 F HA 0.112 4.638 4.527 -0.000 0.000 0.289 193 F C 0.471 176.232 175.800 -0.066 0.000 1.101 193 F CA -0.094 57.824 58.000 -0.137 0.000 1.446 193 F CB 0.067 39.035 39.000 -0.054 0.000 1.123 193 F HN 0.141 nan 8.300 nan 0.000 0.564 194 H N -0.079 119.020 119.070 0.049 0.000 2.882 194 H HA -0.098 4.458 4.556 -0.000 0.000 0.340 194 H C -2.448 172.803 175.328 -0.129 0.000 1.195 194 H CA -0.065 55.950 56.048 -0.056 0.000 1.152 194 H CB -1.948 27.752 29.762 -0.103 0.000 1.590 194 H HN 0.169 nan 8.280 nan 0.000 0.421 195 P HA 0.016 nan 4.420 nan 0.000 0.272 195 P C 0.541 177.870 177.300 0.048 0.000 1.230 195 P CA -0.100 63.055 63.100 0.093 0.000 0.788 195 P CB 1.356 33.188 31.700 0.220 0.000 0.949 196 K N 0.612 121.034 120.400 0.037 0.000 2.354 196 K HA 0.261 4.581 4.320 -0.000 0.000 0.194 196 K C 0.282 176.944 176.600 0.104 0.000 1.045 196 K CA -0.000 56.312 56.287 0.042 0.000 1.026 196 K CB 0.297 32.818 32.500 0.035 0.000 0.866 196 K HN 0.416 nan 8.250 nan 0.000 0.530 197 L N 0.888 122.178 121.223 0.112 0.000 2.549 197 L HA 0.474 4.814 4.340 -0.000 0.000 0.259 197 L C -1.913 175.034 176.870 0.128 0.000 0.934 197 L CA -0.748 54.188 54.840 0.159 0.000 0.865 197 L CB 1.773 43.917 42.059 0.141 0.000 1.352 197 L HN -0.108 nan 8.230 nan 0.000 0.410 198 I N 4.721 125.383 120.570 0.154 0.000 2.474 198 I HA 0.460 4.630 4.170 -0.000 0.000 0.294 198 I C -0.662 175.529 176.117 0.123 0.000 1.005 198 I CA -0.584 60.802 61.300 0.144 0.000 1.113 198 I CB 2.099 40.183 38.000 0.139 0.000 1.289 198 I HN 0.455 nan 8.210 nan 0.000 0.436 199 I N 5.203 125.824 120.570 0.085 0.000 2.354 199 I HA 0.480 4.650 4.170 -0.000 0.000 0.292 199 I C 0.164 176.302 176.117 0.034 0.000 0.989 199 I CA -0.439 60.845 61.300 -0.028 0.000 1.188 199 I CB 1.720 39.537 38.000 -0.305 0.000 1.342 199 I HN 0.589 nan 8.210 nan 0.000 0.457 200 A N 5.371 128.230 122.820 0.065 0.000 2.654 200 A HA 0.827 5.147 4.320 -0.000 0.000 0.345 200 A C 0.043 177.716 177.584 0.148 0.000 1.368 200 A CA -0.361 51.766 52.037 0.151 0.000 0.895 200 A CB 0.208 19.382 19.000 0.291 0.000 1.143 200 A HN 0.901 nan 8.150 nan 0.000 0.490 201 G N 0.372 109.231 108.800 0.098 0.000 2.616 201 G HA2 0.689 4.649 3.960 -0.000 0.000 0.294 201 G HA3 0.689 4.649 3.960 -0.000 0.000 0.294 201 G C -0.731 174.295 174.900 0.209 0.000 1.489 201 G CA 0.215 45.425 45.100 0.184 0.000 0.836 201 G HN 1.293 nan 8.290 nan 0.000 0.527 202 T N -2.460 112.188 114.554 0.158 0.000 2.812 202 T HA 0.753 5.103 4.350 -0.000 0.000 0.294 202 T C 0.295 174.956 174.700 -0.064 0.000 1.159 202 T CA 0.032 62.168 62.100 0.059 0.000 1.008 202 T CB 1.761 70.652 68.868 0.038 0.000 1.289 202 T HN 0.596 nan 8.240 nan 0.000 0.514 203 S N -0.950 114.648 115.700 -0.170 0.000 2.589 203 S HA 0.300 4.770 4.470 -0.000 0.000 0.235 203 S C 0.264 174.627 174.600 -0.396 0.000 1.051 203 S CA -0.170 57.763 58.200 -0.445 0.000 0.978 203 S CB 0.379 63.466 63.200 -0.188 0.000 0.929 203 S HN 0.914 nan 8.310 nan 0.000 0.523 204 C N 1.978 121.182 119.300 -0.160 0.000 3.392 204 C HA 0.556 5.016 4.460 -0.000 0.000 0.217 204 C C -1.690 173.325 174.990 0.041 0.000 1.222 204 C CA -0.397 58.571 59.018 -0.084 0.000 1.200 204 C CB -1.036 26.659 27.740 -0.075 0.000 1.818 204 C HN 0.488 nan 8.230 nan 0.000 0.586 205 Y N 2.130 122.364 120.300 -0.111 0.000 2.354 205 Y HA 0.468 5.018 4.550 -0.000 0.000 0.330 205 Y C 0.789 176.637 175.900 -0.087 0.000 1.011 205 Y CA -0.087 57.958 58.100 -0.092 0.000 1.099 205 Y CB 2.010 40.437 38.460 -0.054 0.000 1.179 205 Y HN 0.423 nan 8.280 nan 0.000 0.442 206 S N 4.295 119.783 115.700 -0.352 0.000 2.631 206 S HA 0.365 4.835 4.470 -0.000 0.000 0.217 206 S C 0.257 174.661 174.600 -0.328 0.000 0.958 206 S CA -0.224 57.803 58.200 -0.287 0.000 0.920 206 S CB -0.069 62.973 63.200 -0.264 0.000 0.776 206 S HN 0.441 nan 8.310 nan 0.000 0.517 207 R N 1.388 121.548 120.500 -0.566 0.000 2.873 207 R HA 0.498 4.838 4.340 -0.000 0.000 0.264 207 R C -0.880 175.426 176.300 0.010 0.000 1.026 207 R CA -0.773 55.124 56.100 -0.337 0.000 1.002 207 R CB 0.289 30.270 30.300 -0.532 0.000 1.174 207 R HN 0.238 nan 8.270 nan 0.000 0.488 208 N N 0.183 118.934 118.700 0.086 0.000 2.444 208 N HA 0.237 4.977 4.740 -0.000 0.000 0.255 208 N C -0.362 175.232 175.510 0.140 0.000 1.255 208 N CA -0.104 53.014 53.050 0.115 0.000 0.933 208 N CB 0.524 39.051 38.487 0.068 0.000 1.143 208 N HN 0.226 nan 8.380 nan 0.000 0.453 209 L N 0.567 121.743 121.223 -0.078 0.000 2.325 209 L HA 0.220 4.560 4.340 -0.000 0.000 0.279 209 L C 0.228 176.824 176.870 -0.457 0.000 1.054 209 L CA -0.622 54.076 54.840 -0.237 0.000 0.804 209 L CB 0.981 42.718 42.059 -0.536 0.000 1.200 209 L HN 0.511 nan 8.230 nan 0.000 0.436 210 D N 1.684 121.963 120.400 -0.201 0.000 2.688 210 D HA 0.006 4.646 4.640 -0.000 0.000 0.228 210 D C 0.873 177.024 176.300 -0.248 0.000 1.116 210 D CA 0.004 53.817 54.000 -0.312 0.000 1.023 210 D CB 0.134 40.567 40.800 -0.611 0.000 1.100 210 D HN 0.275 nan 8.370 nan 0.000 0.487 211 Y N 1.231 121.464 120.300 -0.112 0.000 2.193 211 Y HA -0.253 4.297 4.550 -0.000 0.000 0.285 211 Y C 2.458 178.137 175.900 -0.369 0.000 1.166 211 Y CA 1.181 59.177 58.100 -0.175 0.000 1.181 211 Y CB -0.841 37.520 38.460 -0.166 0.000 0.976 211 Y HN 0.394 nan 8.280 nan 0.000 0.520 212 A N 0.223 122.734 122.820 -0.516 0.000 1.873 212 A HA -0.287 4.032 4.320 -0.000 0.000 0.218 212 A C 2.350 179.878 177.584 -0.094 0.000 1.193 212 A CA 2.286 54.058 52.037 -0.443 0.000 0.629 212 A CB -0.785 18.046 19.000 -0.283 0.000 0.826 212 A HN 0.433 nan 8.150 nan 0.000 0.447 213 R N -0.580 119.854 120.500 -0.110 0.000 2.075 213 R HA 0.039 4.379 4.340 -0.000 0.000 0.232 213 R C 2.043 178.366 176.300 0.037 0.000 1.126 213 R CA 1.187 57.258 56.100 -0.047 0.000 0.963 213 R CB -0.431 29.786 30.300 -0.139 0.000 0.858 213 R HN 0.510 nan 8.270 nan 0.000 0.435 214 L N 0.353 121.620 121.223 0.075 0.000 2.042 214 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 214 L C 2.794 179.720 176.870 0.094 0.000 1.076 214 L CA 1.210 56.108 54.840 0.096 0.000 0.749 214 L CB -0.450 41.682 42.059 0.123 0.000 0.893 214 L HN 0.199 nan 8.230 nan 0.000 0.432 215 R N 0.443 121.008 120.500 0.110 0.000 2.091 215 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 215 R C 2.249 178.615 176.300 0.110 0.000 1.136 215 R CA 1.380 57.557 56.100 0.127 0.000 0.959 215 R CB -0.419 29.995 30.300 0.190 0.000 0.856 215 R HN 0.287 nan 8.270 nan 0.000 0.437 216 K N 0.996 121.450 120.400 0.090 0.000 1.991 216 K HA -0.141 4.179 4.320 -0.000 0.000 0.212 216 K C 2.170 178.807 176.600 0.062 0.000 1.049 216 K CA 1.613 57.943 56.287 0.070 0.000 0.932 216 K CB -0.427 32.103 32.500 0.050 0.000 0.717 216 K HN 0.187 nan 8.250 nan 0.000 0.441 217 I N 1.292 121.894 120.570 0.054 0.000 2.208 217 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 217 I C 2.646 178.797 176.117 0.057 0.000 1.097 217 I CA 1.299 62.624 61.300 0.041 0.000 1.363 217 I CB -0.529 37.482 38.000 0.018 0.000 1.051 217 I HN 0.231 nan 8.210 nan 0.000 0.413 218 A N 0.822 123.692 122.820 0.082 0.000 1.865 218 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 218 A C 2.004 179.648 177.584 0.099 0.000 1.191 218 A CA 2.137 54.241 52.037 0.111 0.000 0.623 218 A CB -0.645 18.457 19.000 0.171 0.000 0.826 218 A HN 0.381 nan 8.150 nan 0.000 0.444 219 D N -0.163 120.301 120.400 0.107 0.000 2.178 219 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 219 D C 1.235 177.565 176.300 0.049 0.000 0.974 219 D CA 1.366 55.415 54.000 0.083 0.000 0.841 219 D CB -0.454 40.402 40.800 0.093 0.000 0.953 219 D HN 0.395 nan 8.370 nan 0.000 0.478 220 D N 0.580 121.009 120.400 0.049 0.000 2.123 220 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 220 D C 1.238 177.561 176.300 0.038 0.000 0.992 220 D CA 0.849 54.871 54.000 0.038 0.000 0.833 220 D CB -0.100 40.721 40.800 0.035 0.000 0.954 220 D HN 0.161 nan 8.370 nan 0.000 0.455 221 N N -0.465 118.262 118.700 0.044 0.000 2.235 221 N HA 0.134 4.874 4.740 -0.000 0.000 0.209 221 N C 0.602 176.130 175.510 0.031 0.000 1.122 221 N CA 0.496 53.579 53.050 0.055 0.000 0.845 221 N CB 1.191 39.718 38.487 0.065 0.000 1.004 221 N HN 0.109 nan 8.380 nan 0.000 0.499 222 G N 1.138 109.942 108.800 0.008 0.000 2.338 222 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.296 222 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.296 222 G C 0.049 174.889 174.900 -0.099 0.000 1.040 222 G CA 0.573 45.646 45.100 -0.046 0.000 1.004 222 G HN 0.561 nan 8.290 nan 0.000 0.509 223 A N -0.658 122.132 122.820 -0.051 0.000 2.346 223 A HA 0.878 5.198 4.320 -0.000 0.000 0.313 223 A C -0.393 177.176 177.584 -0.026 0.000 1.140 223 A CA -0.922 51.079 52.037 -0.060 0.000 0.826 223 A CB 1.055 20.084 19.000 0.049 0.000 1.332 223 A HN 0.534 nan 8.150 nan 0.000 0.457 224 Y N -0.248 120.096 120.300 0.073 0.000 2.299 224 Y HA 0.481 5.031 4.550 -0.000 0.000 0.326 224 Y C 0.364 176.416 175.900 0.254 0.000 1.164 224 Y CA 0.083 58.262 58.100 0.133 0.000 1.234 224 Y CB 1.144 39.630 38.460 0.044 0.000 1.219 224 Y HN 0.646 nan 8.280 nan 0.000 0.497 231 H N 0.779 119.850 119.070 0.002 0.000 2.524 231 H HA 0.181 4.737 4.556 -0.000 0.000 0.282 231 H C 1.465 176.730 175.328 -0.104 0.000 1.016 231 H CA 1.754 57.810 56.048 0.014 0.000 1.270 231 H CB 0.094 29.962 29.762 0.177 0.000 1.394 231 H HN 0.647 nan 8.280 nan 0.000 0.568 232 I N -2.092 118.518 120.570 0.067 0.000 3.966 232 I HA 0.235 4.405 4.170 -0.000 0.000 0.324 232 I C 1.423 177.589 176.117 0.083 0.000 1.517 232 I CA 0.039 61.353 61.300 0.024 0.000 1.117 232 I CB 0.513 38.585 38.000 0.120 0.000 1.190 232 I HN -0.009 nan 8.210 nan 0.000 0.466 233 S N 1.481 117.239 115.700 0.096 0.000 2.374 233 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 233 S C 1.954 176.728 174.600 0.290 0.000 1.037 233 S CA 1.600 59.929 58.200 0.216 0.000 1.024 233 S CB -1.260 62.051 63.200 0.184 0.000 0.861 233 S HN 0.596 nan 8.310 nan 0.000 0.456 234 G N 2.058 110.975 108.800 0.197 0.000 2.394 234 G HA2 0.035 3.995 3.960 -0.000 0.000 0.214 234 G HA3 0.035 3.995 3.960 -0.000 0.000 0.214 234 G C 1.478 176.468 174.900 0.149 0.000 1.176 234 G CA 0.766 46.031 45.100 0.274 0.000 0.786 234 G HN 0.498 nan 8.290 nan 0.000 0.533 235 L N 0.434 121.675 121.223 0.029 0.000 2.079 235 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 235 L C 2.925 179.830 176.870 0.059 0.000 1.081 235 L CA 0.530 55.363 54.840 -0.012 0.000 0.752 235 L CB -0.663 41.383 42.059 -0.021 0.000 0.896 235 L HN 0.092 nan 8.230 nan 0.000 0.433 236 V N 0.160 120.156 119.914 0.137 0.000 2.323 236 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 236 V C 2.812 178.990 176.094 0.139 0.000 1.041 236 V CA 1.704 64.114 62.300 0.184 0.000 1.025 236 V CB -0.847 31.153 31.823 0.295 0.000 0.656 236 V HN 0.453 nan 8.190 nan 0.000 0.451 237 A N 0.154 123.029 122.820 0.092 0.000 1.940 237 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 237 A C 2.291 179.868 177.584 -0.012 0.000 1.176 237 A CA 2.074 53.963 52.037 -0.245 0.000 0.631 237 A CB -0.681 18.064 19.000 -0.424 0.000 0.814 237 A HN 0.600 nan 8.150 nan 0.000 0.446 238 A N -2.109 120.778 122.820 0.112 0.000 2.167 238 A HA 0.369 4.689 4.320 -0.000 0.000 0.214 238 A C 2.035 179.631 177.584 0.021 0.000 1.151 238 A CA 1.343 53.435 52.037 0.092 0.000 0.735 238 A CB -0.901 18.075 19.000 -0.039 0.000 0.802 238 A HN 1.903 nan 8.150 nan 0.000 0.467 239 G N -1.375 107.431 108.800 0.011 0.000 2.179 239 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 239 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 239 G C 1.277 176.172 174.900 -0.008 0.000 0.977 239 G CA 0.926 46.020 45.100 -0.010 0.000 0.641 239 G HN 1.569 nan 8.290 nan 0.000 0.533 240 V N -1.064 118.840 119.914 -0.016 0.000 2.913 240 V HA 0.396 4.516 4.120 -0.000 0.000 0.260 240 V C 1.311 177.407 176.094 0.003 0.000 1.098 240 V CA 1.703 63.989 62.300 -0.024 0.000 1.121 240 V CB -0.567 31.219 31.823 -0.061 0.000 0.714 240 V HN 1.783 nan 8.190 nan 0.000 0.487 241 V N -4.976 114.957 119.914 0.031 0.000 3.130 241 V HA 0.749 4.869 4.120 -0.000 0.000 0.310 241 V C -3.015 173.135 176.094 0.092 0.000 1.158 241 V CA -2.699 59.638 62.300 0.062 0.000 1.029 241 V CB 1.058 32.931 31.823 0.083 0.000 1.057 241 V HN 0.130 nan 8.190 nan 0.000 0.436 242 P HA 0.197 nan 4.420 nan 0.000 0.264 242 P C -0.264 177.156 177.300 0.201 0.000 1.193 242 P CA 0.560 63.754 63.100 0.157 0.000 0.763 242 P CB 0.517 32.324 31.700 0.178 0.000 0.810 243 S N 4.453 120.249 115.700 0.161 0.000 2.513 243 S HA 0.273 4.743 4.470 -0.000 0.000 0.276 243 S C -1.210 173.389 174.600 -0.003 0.000 1.254 243 S CA -1.497 56.782 58.200 0.133 0.000 1.053 243 S CB 0.225 63.522 63.200 0.161 0.000 0.958 243 S HN 0.314 nan 8.310 nan 0.000 0.491 244 P HA 0.025 nan 4.420 nan 0.000 0.233 244 P C 0.876 177.850 177.300 -0.542 0.000 1.167 244 P CA 0.587 63.106 63.100 -0.969 0.000 0.770 244 P CB -0.085 30.869 31.700 -1.243 0.000 0.837 245 F N 1.218 120.972 119.950 -0.328 0.000 2.583 245 F HA -0.059 4.468 4.527 -0.000 0.000 0.297 245 F C 2.197 177.984 175.800 -0.022 0.000 1.131 245 F CA 1.076 58.896 58.000 -0.299 0.000 1.467 245 F CB -0.646 38.002 39.000 -0.586 0.000 1.097 245 F HN 0.010 nan 8.300 nan 0.000 0.586 246 E N -1.404 118.876 120.200 0.132 0.000 2.230 246 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 246 E C 1.048 177.562 176.600 -0.144 0.000 0.987 246 E CA 0.937 57.372 56.400 0.059 0.000 0.841 246 E CB -0.013 29.738 29.700 0.086 0.000 0.783 246 E HN 0.552 nan 8.360 nan 0.000 0.481 247 H N -2.061 117.023 119.070 0.023 0.000 3.255 247 H HA 0.217 4.773 4.556 -0.000 0.000 0.256 247 H C 0.170 175.447 175.328 -0.085 0.000 1.049 247 H CA -0.376 55.676 56.048 0.006 0.000 1.202 247 H CB 0.466 30.271 29.762 0.072 0.000 1.497 247 H HN -0.009 nan 8.280 nan 0.000 0.503 248 C N 0.838 120.143 119.300 0.009 0.000 2.459 248 C HA 0.152 4.612 4.460 -0.000 0.000 0.374 248 C C 1.511 176.505 174.990 0.008 0.000 1.241 248 C CA -0.206 58.783 59.018 -0.048 0.000 2.352 248 C CB 0.830 28.505 27.740 -0.109 0.000 2.490 248 C HN 0.649 nan 8.230 nan 0.000 0.583 249 H N -0.334 118.808 119.070 0.121 0.000 2.465 249 H HA 0.238 4.794 4.556 -0.000 0.000 0.289 249 H C 0.167 175.498 175.328 0.004 0.000 1.022 249 H CA 0.714 56.763 56.048 0.002 0.000 1.340 249 H CB 0.243 30.075 29.762 0.117 0.000 1.437 249 H HN 0.347 nan 8.280 nan 0.000 0.539 250 V N 0.903 120.936 119.914 0.199 0.000 2.841 250 V HA 0.342 4.462 4.120 -0.000 0.000 0.310 250 V C -1.042 175.095 176.094 0.071 0.000 1.090 250 V CA -0.905 61.501 62.300 0.176 0.000 0.930 250 V CB 3.005 34.867 31.823 0.064 0.000 1.014 250 V HN -0.139 nan 8.190 nan 0.000 0.425 251 V N 2.952 122.903 119.914 0.061 0.000 2.569 251 V HA 0.609 4.729 4.120 -0.000 0.000 0.301 251 V C 0.042 176.161 176.094 0.041 0.000 1.044 251 V CA -0.395 61.818 62.300 -0.145 0.000 0.874 251 V CB 2.228 33.612 31.823 -0.732 0.000 1.002 251 V HN 1.057 nan 8.190 nan 0.000 0.424 252 T N 0.714 115.273 114.554 0.009 0.000 2.952 252 T HA 0.880 5.230 4.350 -0.000 0.000 0.286 252 T C -0.291 174.430 174.700 0.035 0.000 1.024 252 T CA -0.684 61.437 62.100 0.036 0.000 1.029 252 T CB 2.236 71.108 68.868 0.006 0.000 1.094 252 T HN 0.790 nan 8.240 nan 0.000 0.515 253 T N 0.319 114.896 114.554 0.038 0.000 2.831 253 T HA 0.552 4.902 4.350 -0.000 0.000 0.333 253 T C -0.894 173.813 174.700 0.011 0.000 1.684 253 T CA -0.381 61.736 62.100 0.030 0.000 1.049 253 T CB 1.209 70.119 68.868 0.069 0.000 1.518 253 T HN 1.202 nan 8.240 nan 0.000 0.491 254 T N 0.078 114.605 114.554 -0.045 0.000 2.934 254 T HA 0.519 4.869 4.350 -0.000 0.000 0.283 254 T C 1.331 176.003 174.700 -0.048 0.000 1.005 254 T CA 0.101 62.143 62.100 -0.097 0.000 1.041 254 T CB 1.187 69.791 68.868 -0.440 0.000 1.042 254 T HN 0.808 nan 8.240 nan 0.000 0.505 255 T N -2.547 112.054 114.554 0.078 0.000 3.069 255 T HA 0.134 4.484 4.350 -0.000 0.000 0.252 255 T C 0.864 175.654 174.700 0.149 0.000 1.053 255 T CA -0.290 61.881 62.100 0.119 0.000 0.964 255 T CB -0.456 68.490 68.868 0.130 0.000 1.005 255 T HN 0.852 nan 8.240 nan 0.000 0.532 256 H N 0.925 120.011 119.070 0.026 0.000 2.885 256 H HA 0.639 5.195 4.556 -0.000 0.000 0.263 256 H C 0.684 176.008 175.328 -0.006 0.000 1.564 256 H CA -0.632 55.423 56.048 0.011 0.000 1.632 256 H CB 0.168 29.928 29.762 -0.003 0.000 1.650 256 H HN 0.103 nan 8.280 nan 0.000 0.928 257 K N -1.684 118.734 120.400 0.030 0.000 3.126 257 K HA -0.232 4.088 4.320 -0.000 0.000 0.255 257 K C 1.391 177.974 176.600 -0.029 0.000 1.579 257 K CA 1.545 57.775 56.287 -0.095 0.000 0.540 257 K CB -1.819 30.510 32.500 -0.285 0.000 0.812 257 K HN 0.838 nan 8.250 nan 0.000 0.690 258 T N -0.037 114.463 114.554 -0.090 0.000 3.139 258 T HA -0.030 4.320 4.350 -0.000 0.000 0.267 258 T C 1.408 176.219 174.700 0.185 0.000 1.164 258 T CA 1.463 63.560 62.100 -0.005 0.000 1.075 258 T CB 0.047 68.818 68.868 -0.162 0.000 0.904 258 T HN 0.309 nan 8.240 nan 0.000 0.540 259 L N 0.420 121.742 121.223 0.165 0.000 2.554 259 L HA 0.519 4.859 4.340 -0.000 0.000 0.225 259 L C 1.325 178.318 176.870 0.205 0.000 1.104 259 L CA 0.270 55.255 54.840 0.242 0.000 0.866 259 L CB -0.765 41.391 42.059 0.162 0.000 1.047 259 L HN 0.261 nan 8.230 nan 0.000 0.468 260 R N -0.472 120.130 120.500 0.171 0.000 3.516 260 R HA -0.179 4.161 4.340 -0.000 0.000 0.271 260 R C 0.539 176.890 176.300 0.086 0.000 1.098 260 R CA 0.537 56.712 56.100 0.125 0.000 0.732 260 R CB -1.609 28.773 30.300 0.137 0.000 1.152 260 R HN 0.572 nan 8.270 nan 0.000 0.455 261 G N -0.874 107.983 108.800 0.095 0.000 2.971 261 G HA2 0.533 4.493 3.960 -0.000 0.000 0.235 261 G HA3 0.533 4.493 3.960 -0.000 0.000 0.235 261 G C 0.206 175.156 174.900 0.083 0.000 1.351 261 G CA -0.208 44.935 45.100 0.072 0.000 1.039 261 G HN 0.436 nan 8.290 nan 0.000 0.563 262 C N -1.689 117.646 119.300 0.059 0.000 2.403 262 C HA 0.739 5.199 4.460 -0.000 0.000 0.361 262 C C 0.704 175.706 174.990 0.021 0.000 1.274 262 C CA -1.294 57.740 59.018 0.026 0.000 2.433 262 C CB 0.224 27.971 27.740 0.011 0.000 2.323 262 C HN 0.657 nan 8.230 nan 0.000 0.614 263 R N 1.313 121.748 120.500 -0.107 0.000 2.446 263 R HA 0.493 4.833 4.340 -0.000 0.000 0.314 263 R C 0.286 176.591 176.300 0.009 0.000 1.003 263 R CA 1.146 57.116 56.100 -0.217 0.000 1.018 263 R CB -0.065 30.018 30.300 -0.361 0.000 0.945 263 R HN 1.074 nan 8.270 nan 0.000 0.419 264 A N 1.626 124.539 122.820 0.155 0.000 2.410 264 A HA 0.729 5.049 4.320 -0.000 0.000 0.300 264 A C -1.100 176.569 177.584 0.141 0.000 1.077 264 A CA -0.280 51.830 52.037 0.122 0.000 0.610 264 A CB 0.941 19.979 19.000 0.064 0.000 1.371 264 A HN 0.706 nan 8.150 nan 0.000 0.510 268 F N 6.479 126.465 119.950 0.059 0.000 2.394 268 F HA 0.602 5.129 4.527 -0.000 0.000 0.340 268 F C -0.034 175.914 175.800 0.247 0.000 1.105 268 F CA -0.293 57.750 58.000 0.072 0.000 1.124 268 F CB 1.086 40.189 39.000 0.173 0.000 1.145 268 F HN 0.296 nan 8.300 nan 0.000 0.505 269 Y N 0.316 120.937 120.300 0.535 0.000 2.534 269 Y HA 0.668 5.218 4.550 -0.000 0.000 0.345 269 Y C -0.560 175.294 175.900 -0.076 0.000 1.031 269 Y CA -1.968 56.262 58.100 0.217 0.000 1.022 269 Y CB 0.888 39.354 38.460 0.009 0.000 1.292 269 Y HN 0.395 nan 8.280 nan 0.000 0.459 270 R N 2.406 122.637 120.500 -0.449 0.000 2.615 270 R HA 0.510 4.850 4.340 -0.000 0.000 0.270 270 R C -0.871 175.189 176.300 -0.400 0.000 1.081 270 R CA -0.675 54.856 56.100 -0.948 0.000 1.154 270 R CB 0.967 30.473 30.300 -1.323 0.000 1.063 270 R HN 0.968 nan 8.270 nan 0.000 0.519 271 K N -0.810 119.466 120.400 -0.207 0.000 2.551 271 K HA 0.475 4.795 4.320 -0.000 0.000 0.269 271 K C 0.200 176.954 176.600 0.257 0.000 0.949 271 K CA -0.498 55.874 56.287 0.142 0.000 0.849 271 K CB 1.983 34.571 32.500 0.146 0.000 1.411 271 K HN 0.622 nan 8.250 nan 0.000 0.432 272 G N 0.694 109.684 108.800 0.316 0.000 2.846 272 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.317 272 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.317 272 G C 0.106 175.060 174.900 0.089 0.000 1.210 272 G CA 0.108 45.378 45.100 0.284 0.000 0.972 272 G HN 0.689 nan 8.290 nan 0.000 0.567 273 V N 3.185 123.114 119.914 0.025 0.000 2.359 273 V HA 0.134 4.254 4.120 -0.000 0.000 0.228 273 V C 1.938 177.932 176.094 -0.167 0.000 1.331 273 V CA 2.092 64.329 62.300 -0.105 0.000 1.419 273 V CB -0.745 31.067 31.823 -0.019 0.000 1.427 273 V HN 0.736 nan 8.190 nan 0.000 0.488 274 R N 1.983 122.198 120.500 -0.474 0.000 2.054 274 R HA 0.079 4.419 4.340 -0.000 0.000 0.223 274 R C 1.037 177.105 176.300 -0.387 0.000 1.176 274 R CA 1.157 56.787 56.100 -0.785 0.000 0.934 274 R CB 0.144 29.731 30.300 -1.187 0.000 0.828 274 R HN 0.561 nan 8.270 nan 0.000 0.441 275 S N -0.611 114.883 115.700 -0.344 0.000 2.569 275 S HA 0.523 4.993 4.470 -0.000 0.000 0.280 275 S C -1.384 173.112 174.600 -0.172 0.000 1.111 275 S CA -0.698 57.385 58.200 -0.196 0.000 0.887 275 S CB 1.905 65.010 63.200 -0.159 0.000 1.095 275 S HN 0.224 nan 8.310 nan 0.000 0.476 276 V N 1.062 120.911 119.914 -0.109 0.000 2.555 276 V HA 0.685 4.805 4.120 -0.000 0.000 0.302 276 V C -0.827 175.231 176.094 -0.060 0.000 1.038 276 V CA -0.801 61.447 62.300 -0.087 0.000 0.887 276 V CB 1.751 33.535 31.823 -0.066 0.000 0.991 276 V HN 0.746 nan 8.190 nan 0.000 0.434 277 D N 4.772 125.140 120.400 -0.053 0.000 2.198 277 D HA 0.455 5.094 4.640 -0.000 0.000 0.245 277 D C -1.825 174.459 176.300 -0.027 0.000 1.079 277 D CA -1.071 52.907 54.000 -0.037 0.000 0.854 277 D CB 2.567 43.346 40.800 -0.035 0.000 1.148 277 D HN 0.416 nan 8.370 nan 0.000 0.456 278 P HA -0.088 nan 4.420 nan 0.000 0.207 278 P C 1.279 178.571 177.300 -0.013 0.000 1.072 278 P CA 0.331 63.423 63.100 -0.014 0.000 0.798 278 P CB 0.443 32.137 31.700 -0.011 0.000 0.570 279 K N -0.494 119.900 120.400 -0.010 0.000 2.097 279 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 279 K C 1.948 178.542 176.600 -0.010 0.000 1.050 279 K CA 1.820 58.102 56.287 -0.008 0.000 0.938 279 K CB -0.929 31.567 32.500 -0.007 0.000 0.718 279 K HN 0.123 nan 8.250 nan 0.000 0.442 280 T N 0.461 115.008 114.554 -0.012 0.000 3.139 280 T HA -0.020 4.330 4.350 -0.000 0.000 0.267 280 T C 0.856 175.547 174.700 -0.015 0.000 1.164 280 T CA 0.749 62.841 62.100 -0.013 0.000 1.075 280 T CB -0.964 67.895 68.868 -0.014 0.000 0.904 280 T HN 0.449 nan 8.240 nan 0.000 0.540 281 G N 2.203 110.993 108.800 -0.016 0.000 2.042 281 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.249 281 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.249 281 G C -0.077 174.812 174.900 -0.018 0.000 0.736 281 G CA 0.853 45.942 45.100 -0.018 0.000 0.950 281 G HN 0.717 nan 8.290 nan 0.000 0.402 282 K N -0.068 120.317 120.400 -0.024 0.000 2.328 282 K HA 0.526 4.846 4.320 -0.000 0.000 0.246 282 K C 0.242 176.818 176.600 -0.041 0.000 0.955 282 K CA -1.020 55.255 56.287 -0.020 0.000 0.817 282 K CB 1.399 33.891 32.500 -0.013 0.000 1.208 282 K HN 0.421 nan 8.250 nan 0.000 0.432 283 E N 0.615 120.792 120.200 -0.038 0.000 2.235 283 E HA 0.472 4.822 4.350 -0.000 0.000 0.265 283 E C -1.238 175.304 176.600 -0.097 0.000 0.940 283 E CA -0.956 55.379 56.400 -0.108 0.000 0.819 283 E CB 1.846 31.443 29.700 -0.172 0.000 1.206 283 E HN 0.588 nan 8.360 nan 0.000 0.409 284 T N -0.792 113.627 114.554 -0.226 0.000 2.900 284 T HA 0.518 4.868 4.350 -0.000 0.000 0.295 284 T C -1.069 173.408 174.700 -0.372 0.000 1.044 284 T CA -0.690 61.313 62.100 -0.161 0.000 0.995 284 T CB 0.639 69.418 68.868 -0.149 0.000 1.072 284 T HN 0.453 nan 8.240 nan 0.000 0.473 285 Y N -0.407 119.791 120.300 -0.170 0.000 2.650 285 Y HA 0.644 5.194 4.550 -0.000 0.000 0.331 285 Y C -0.604 175.172 175.900 -0.207 0.000 1.082 285 Y CA -1.501 56.485 58.100 -0.190 0.000 1.171 285 Y CB 1.197 39.613 38.460 -0.072 0.000 1.326 285 Y HN 0.620 nan 8.280 nan 0.000 0.513 286 Y N 0.762 121.171 120.300 0.180 0.000 2.320 286 Y HA 0.248 4.798 4.550 -0.000 0.000 0.334 286 Y C 0.738 176.681 175.900 0.073 0.000 1.055 286 Y CA -1.247 56.911 58.100 0.098 0.000 1.143 286 Y CB 1.150 39.644 38.460 0.057 0.000 1.193 286 Y HN 0.605 nan 8.280 nan 0.000 0.477 287 E N 1.604 121.932 120.200 0.213 0.000 2.603 287 E HA 0.158 4.508 4.350 -0.000 0.000 0.211 287 E C 0.710 177.296 176.600 -0.024 0.000 0.995 287 E CA 0.171 56.615 56.400 0.073 0.000 0.990 287 E CB 0.039 29.771 29.700 0.054 0.000 1.036 287 E HN 0.648 nan 8.360 nan 0.000 0.475 288 L N 1.508 122.711 121.223 -0.034 0.000 1.990 288 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 288 L C 2.774 179.353 176.870 -0.485 0.000 1.072 288 L CA 2.274 56.978 54.840 -0.227 0.000 0.755 288 L CB -0.663 41.271 42.059 -0.207 0.000 0.889 288 L HN 0.284 nan 8.230 nan 0.000 0.432 289 E N -0.051 119.808 120.200 -0.568 0.000 2.065 289 E HA -0.326 4.024 4.350 -0.000 0.000 0.201 289 E C 2.320 178.632 176.600 -0.480 0.000 1.016 289 E CA 1.989 57.890 56.400 -0.831 0.000 0.818 289 E CB -0.122 29.440 29.700 -0.230 0.000 0.749 289 E HN 0.363 nan 8.360 nan 0.000 0.453 290 S N -0.236 115.309 115.700 -0.259 0.000 2.353 290 S HA -0.164 4.306 4.470 -0.000 0.000 0.222 290 S C 2.071 176.571 174.600 -0.167 0.000 1.035 290 S CA 1.513 59.609 58.200 -0.174 0.000 1.025 290 S CB -0.393 62.747 63.200 -0.100 0.000 0.902 290 S HN 0.366 nan 8.310 nan 0.000 0.440 291 L N 0.863 121.989 121.223 -0.162 0.000 2.017 291 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 291 L C 2.534 179.316 176.870 -0.146 0.000 1.073 291 L CA 1.437 56.202 54.840 -0.126 0.000 0.745 291 L CB -0.614 41.380 42.059 -0.107 0.000 0.894 291 L HN 0.373 nan 8.230 nan 0.000 0.432 292 I N -0.206 120.224 120.570 -0.233 0.000 2.142 292 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 292 I C 2.295 178.333 176.117 -0.132 0.000 1.078 292 I CA 1.192 62.371 61.300 -0.202 0.000 1.343 292 I CB -0.577 37.247 38.000 -0.293 0.000 1.046 292 I HN 0.334 nan 8.210 nan 0.000 0.405 293 N N 0.852 119.426 118.700 -0.210 0.000 2.137 293 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 293 N C 2.002 177.539 175.510 0.045 0.000 1.017 293 N CA 1.682 54.647 53.050 -0.141 0.000 0.859 293 N CB -0.266 37.964 38.487 -0.427 0.000 1.002 293 N HN 0.285 nan 8.380 nan 0.000 0.428 294 S N 0.609 116.305 115.700 -0.007 0.000 2.371 294 S HA 0.036 4.505 4.470 -0.000 0.000 0.224 294 S C 2.124 176.753 174.600 0.048 0.000 1.029 294 S CA 0.855 59.087 58.200 0.053 0.000 0.978 294 S CB -0.240 62.959 63.200 -0.002 0.000 0.833 294 S HN 0.486 nan 8.310 nan 0.000 0.466 295 A N 1.397 124.226 122.820 0.015 0.000 1.940 295 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 295 A C 2.316 179.932 177.584 0.054 0.000 1.176 295 A CA 1.472 53.520 52.037 0.017 0.000 0.631 295 A CB -0.938 18.061 19.000 -0.003 0.000 0.814 295 A HN 0.336 nan 8.150 nan 0.000 0.446 296 V N -2.442 117.529 119.914 0.095 0.000 2.343 296 V HA -0.034 4.086 4.120 -0.000 0.000 0.247 296 V C 0.917 177.130 176.094 0.198 0.000 1.051 296 V CA 1.866 64.241 62.300 0.124 0.000 1.036 296 V CB -0.629 31.292 31.823 0.164 0.000 0.654 296 V HN 0.554 nan 8.190 nan 0.000 0.451 297 F N 0.572 120.582 119.950 0.099 0.000 2.615 297 F HA 0.518 5.045 4.527 -0.000 0.000 0.312 297 F C -2.474 173.399 175.800 0.122 0.000 1.119 297 F CA -1.869 56.170 58.000 0.066 0.000 0.979 297 F CB 2.077 41.069 39.000 -0.013 0.000 1.266 297 F HN -0.160 nan 8.300 nan 0.000 0.444 298 P HA 0.151 nan 4.420 nan 0.000 0.255 298 P C 1.037 178.055 177.300 -0.470 0.000 1.301 298 P CA 0.700 62.973 63.100 -1.379 0.000 0.817 298 P CB 0.244 31.204 31.700 -1.233 0.000 1.259 299 G N 1.451 110.117 108.800 -0.223 0.000 2.545 299 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 299 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 299 G C 1.284 176.159 174.900 -0.042 0.000 1.218 299 G CA 0.936 45.982 45.100 -0.091 0.000 0.787 299 G HN 0.305 nan 8.290 nan 0.000 0.571 300 L N -1.234 119.995 121.223 0.010 0.000 2.653 300 L HA 0.327 4.667 4.340 -0.000 0.000 0.230 300 L C 1.381 178.293 176.870 0.071 0.000 1.055 300 L CA 0.033 54.900 54.840 0.044 0.000 0.880 300 L CB 0.245 42.355 42.059 0.085 0.000 1.195 300 L HN 0.141 nan 8.230 nan 0.000 0.492 301 Q N -0.676 119.184 119.800 0.099 0.000 2.195 301 Q HA 0.456 4.796 4.340 -0.000 0.000 0.250 301 Q C 0.248 176.445 176.000 0.327 0.000 0.988 301 Q CA -0.083 55.808 55.803 0.147 0.000 0.911 301 Q CB 1.973 30.626 28.738 -0.141 0.000 1.258 301 Q HN 0.145 nan 8.270 nan 0.000 0.475 302 G N -0.184 108.830 108.800 0.356 0.000 3.372 302 G HA2 0.393 4.353 3.960 -0.000 0.000 0.178 302 G HA3 0.393 4.353 3.960 -0.000 0.000 0.178 302 G C -0.224 174.849 174.900 0.288 0.000 1.817 302 G CA -0.068 45.267 45.100 0.391 0.000 0.996 302 G HN 0.584 nan 8.290 nan 0.000 0.559 303 G N 1.273 110.249 108.800 0.293 0.000 2.338 303 G HA2 0.562 4.522 3.960 -0.000 0.000 0.298 303 G HA3 0.562 4.522 3.960 -0.000 0.000 0.298 303 G C -2.216 172.726 174.900 0.071 0.000 1.140 303 G CA -0.743 44.422 45.100 0.108 0.000 0.860 303 G HN 0.395 nan 8.290 nan 0.000 0.470 304 P HA -0.028 nan 4.420 nan 0.000 0.268 304 P C -0.578 176.823 177.300 0.169 0.000 1.208 304 P CA 0.214 63.305 63.100 -0.014 0.000 0.777 304 P CB 0.689 32.322 31.700 -0.113 0.000 0.875 305 H N 1.837 120.953 119.070 0.077 0.000 2.726 305 H HA 0.159 4.715 4.556 -0.000 0.000 0.244 305 H C 1.352 176.642 175.328 -0.064 0.000 1.669 305 H CA -0.581 55.479 56.048 0.021 0.000 1.293 305 H CB -0.226 29.505 29.762 -0.051 0.000 1.640 305 H HN 0.398 nan 8.280 nan 0.000 0.553 306 N N 1.412 120.194 118.700 0.137 0.000 2.182 306 N HA -0.229 4.511 4.740 -0.000 0.000 0.192 306 N C 1.847 177.408 175.510 0.085 0.000 1.007 306 N CA 1.351 54.452 53.050 0.086 0.000 0.873 306 N CB -0.145 38.390 38.487 0.080 0.000 0.998 306 N HN 0.758 nan 8.380 nan 0.000 0.436 307 H N -0.264 118.817 119.070 0.017 0.000 2.423 307 H HA 0.168 4.724 4.556 -0.000 0.000 0.297 307 H C 1.869 177.214 175.328 0.028 0.000 1.075 307 H CA 1.230 57.282 56.048 0.007 0.000 1.342 307 H CB -0.568 29.180 29.762 -0.023 0.000 1.395 307 H HN 0.154 nan 8.280 nan 0.000 0.530 308 A N 1.976 124.496 122.820 -0.499 0.000 1.897 308 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 308 A C 2.742 180.271 177.584 -0.090 0.000 1.181 308 A CA 1.063 52.939 52.037 -0.269 0.000 0.620 308 A CB -0.744 18.103 19.000 -0.256 0.000 0.821 308 A HN 0.339 nan 8.150 nan 0.000 0.443 309 I N -0.058 120.473 120.570 -0.064 0.000 2.264 309 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 309 I C 2.961 179.077 176.117 -0.003 0.000 1.111 309 I CA 1.040 62.328 61.300 -0.019 0.000 1.382 309 I CB -0.399 37.596 38.000 -0.007 0.000 1.060 309 I HN 0.374 nan 8.210 nan 0.000 0.418 310 A N 1.122 123.946 122.820 0.008 0.000 1.883 310 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 310 A C 2.474 180.065 177.584 0.012 0.000 1.186 310 A CA 2.005 54.054 52.037 0.019 0.000 0.624 310 A CB -1.485 17.536 19.000 0.036 0.000 0.822 310 A HN 0.454 nan 8.150 nan 0.000 0.444 311 G N -0.567 108.239 108.800 0.010 0.000 2.440 311 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 311 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 311 G C 1.536 176.440 174.900 0.007 0.000 1.154 311 G CA 1.326 46.432 45.100 0.011 0.000 0.767 311 G HN 0.329 nan 8.290 nan 0.000 0.552 312 V N 1.646 121.564 119.914 0.007 0.000 2.287 312 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 312 V C 3.370 179.465 176.094 0.002 0.000 1.053 312 V CA 2.132 64.440 62.300 0.013 0.000 1.027 312 V CB -1.011 30.823 31.823 0.018 0.000 0.646 312 V HN 0.497 nan 8.190 nan 0.000 0.447 313 A N -0.241 122.580 122.820 0.001 0.000 1.917 313 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 313 A C 2.394 179.966 177.584 -0.020 0.000 1.182 313 A CA 2.408 54.442 52.037 -0.005 0.000 0.633 313 A CB -0.812 18.190 19.000 0.002 0.000 0.819 313 A HN 0.360 nan 8.150 nan 0.000 0.448 314 V N -0.378 119.526 119.914 -0.017 0.000 2.295 314 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 314 V C 3.042 179.105 176.094 -0.051 0.000 1.049 314 V CA 2.060 64.344 62.300 -0.026 0.000 1.024 314 V CB -1.248 30.567 31.823 -0.013 0.000 0.648 314 V HN 0.640 nan 8.190 nan 0.000 0.447 315 A N -0.667 122.124 122.820 -0.049 0.000 1.930 315 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 315 A C 2.241 179.732 177.584 -0.155 0.000 1.175 315 A CA 1.453 53.438 52.037 -0.087 0.000 0.627 315 A CB -0.476 18.499 19.000 -0.042 0.000 0.815 315 A HN 0.480 nan 8.150 nan 0.000 0.443 316 L N -0.580 120.582 121.223 -0.102 0.000 2.012 316 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 316 L C 2.688 179.453 176.870 -0.175 0.000 1.073 316 L CA 2.109 56.875 54.840 -0.123 0.000 0.748 316 L CB -0.409 41.623 42.059 -0.044 0.000 0.891 316 L HN 0.509 nan 8.230 nan 0.000 0.431 317 K N 0.006 120.331 120.400 -0.125 0.000 2.009 317 K HA -0.261 4.059 4.320 -0.000 0.000 0.210 317 K C 2.070 178.575 176.600 -0.158 0.000 1.049 317 K CA 1.781 57.998 56.287 -0.116 0.000 0.929 317 K CB -0.088 32.368 32.500 -0.073 0.000 0.714 317 K HN 0.347 nan 8.250 nan 0.000 0.440 318 Q N 0.211 119.904 119.800 -0.179 0.000 2.181 318 Q HA -0.090 4.250 4.340 -0.000 0.000 0.205 318 Q C 0.912 176.652 176.000 -0.434 0.000 0.980 318 Q CA 0.905 56.584 55.803 -0.205 0.000 0.862 318 Q CB -0.207 28.433 28.738 -0.163 0.000 0.905 318 Q HN 0.377 nan 8.270 nan 0.000 0.429 322 T N 0.404 115.022 114.554 0.107 0.000 2.978 322 T HA 0.080 4.430 4.350 -0.000 0.000 0.262 322 T C 1.554 176.327 174.700 0.121 0.000 1.063 322 T CA 1.507 63.666 62.100 0.099 0.000 1.140 322 T CB -0.327 68.580 68.868 0.065 0.000 0.886 322 T HN 0.738 nan 8.240 nan 0.000 0.470 323 E N 0.789 121.068 120.200 0.131 0.000 2.204 323 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 323 E C 1.475 178.205 176.600 0.216 0.000 0.990 323 E CA 0.662 57.147 56.400 0.141 0.000 0.821 323 E CB -0.281 29.491 29.700 0.119 0.000 0.750 323 E HN 0.450 nan 8.360 nan 0.000 0.477 324 F N 1.334 121.336 119.950 0.086 0.000 2.118 324 F HA -0.004 4.523 4.527 -0.000 0.000 0.293 324 F C 2.077 177.963 175.800 0.143 0.000 1.102 324 F CA 1.299 59.381 58.000 0.136 0.000 1.247 324 F CB -0.069 38.978 39.000 0.078 0.000 1.017 324 F HN -0.199 nan 8.300 nan 0.000 0.475 325 K N 0.558 121.045 120.400 0.145 0.000 2.160 325 K HA -0.241 4.079 4.320 -0.000 0.000 0.206 325 K C 2.258 178.828 176.600 -0.051 0.000 1.047 325 K CA 1.890 58.184 56.287 0.012 0.000 0.930 325 K CB -0.517 32.021 32.500 0.063 0.000 0.720 325 K HN 0.537 nan 8.250 nan 0.000 0.450 326 I N -0.025 120.549 120.570 0.007 0.000 2.406 326 I HA -0.220 3.950 4.170 -0.000 0.000 0.249 326 I C 2.147 178.252 176.117 -0.019 0.000 1.122 326 I CA 0.828 62.130 61.300 0.003 0.000 1.431 326 I CB -0.201 37.828 38.000 0.047 0.000 1.087 326 I HN 0.203 nan 8.210 nan 0.000 0.424 327 Y N 1.896 122.135 120.300 -0.103 0.000 2.097 327 Y HA -0.349 4.201 4.550 -0.000 0.000 0.282 327 Y C 2.515 178.308 175.900 -0.177 0.000 1.152 327 Y CA 2.240 60.270 58.100 -0.117 0.000 1.136 327 Y CB -0.874 37.503 38.460 -0.139 0.000 0.975 327 Y HN 0.217 nan 8.280 nan 0.000 0.498 328 Q N 0.476 119.858 119.800 -0.696 0.000 2.181 328 Q HA -0.155 4.185 4.340 -0.000 0.000 0.205 328 Q C 2.306 178.051 176.000 -0.424 0.000 0.980 328 Q CA 1.986 57.356 55.803 -0.723 0.000 0.862 328 Q CB -0.537 27.866 28.738 -0.558 0.000 0.905 328 Q HN 0.687 nan 8.270 nan 0.000 0.429 329 L N -0.539 120.521 121.223 -0.271 0.000 2.056 329 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 329 L C 2.377 179.153 176.870 -0.156 0.000 1.078 329 L CA 1.316 56.058 54.840 -0.164 0.000 0.749 329 L CB -0.324 41.678 42.059 -0.095 0.000 0.901 329 L HN 0.278 nan 8.230 nan 0.000 0.433 330 Q N -0.107 119.598 119.800 -0.158 0.000 2.124 330 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 330 Q C 2.043 177.951 176.000 -0.154 0.000 0.977 330 Q CA 1.809 57.553 55.803 -0.098 0.000 0.850 330 Q CB -0.371 28.356 28.738 -0.019 0.000 0.901 330 Q HN 0.308 nan 8.270 nan 0.000 0.429 331 V N 0.486 120.218 119.914 -0.303 0.000 2.282 331 V HA -0.308 3.812 4.120 -0.000 0.000 0.249 331 V C 2.357 178.321 176.094 -0.216 0.000 1.057 331 V CA 1.995 64.114 62.300 -0.302 0.000 1.032 331 V CB -0.709 30.823 31.823 -0.484 0.000 0.645 331 V HN 0.380 nan 8.190 nan 0.000 0.447 332 L N -0.198 120.913 121.223 -0.187 0.000 1.994 332 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 332 L C 2.810 179.600 176.870 -0.134 0.000 1.071 332 L CA 1.683 56.444 54.840 -0.130 0.000 0.745 332 L CB -0.908 41.091 42.059 -0.100 0.000 0.892 332 L HN 0.373 nan 8.230 nan 0.000 0.431 333 A N 0.405 123.155 122.820 -0.117 0.000 1.884 333 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 333 A C 2.023 179.528 177.584 -0.132 0.000 1.197 333 A CA 2.316 54.297 52.037 -0.092 0.000 0.637 333 A CB -0.798 18.169 19.000 -0.055 0.000 0.827 333 A HN 0.481 nan 8.150 nan 0.000 0.450 334 N N -0.473 118.112 118.700 -0.192 0.000 2.137 334 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 334 N C 1.768 176.950 175.510 -0.548 0.000 1.017 334 N CA 1.429 54.243 53.050 -0.394 0.000 0.859 334 N CB -1.122 37.001 38.487 -0.607 0.000 1.002 334 N HN 0.638 nan 8.380 nan 0.000 0.428 335 C N 1.553 120.616 119.300 -0.396 0.000 2.436 335 C HA -0.034 4.426 4.460 -0.000 0.000 0.277 335 C C 2.663 177.530 174.990 -0.204 0.000 1.241 335 C CA 0.688 59.521 59.018 -0.310 0.000 1.721 335 C CB -0.839 26.780 27.740 -0.201 0.000 2.043 335 C HN 0.436 nan 8.230 nan 0.000 0.472 336 R N 0.930 121.342 120.500 -0.146 0.000 2.115 336 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 336 R C 2.515 178.769 176.300 -0.076 0.000 1.133 336 R CA 1.958 58.003 56.100 -0.091 0.000 0.935 336 R CB -0.888 29.372 30.300 -0.067 0.000 0.853 336 R HN 0.627 nan 8.270 nan 0.000 0.433 337 A N 1.473 124.248 122.820 -0.076 0.000 1.896 337 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 337 A C 2.153 179.733 177.584 -0.006 0.000 1.206 337 A CA 1.871 53.894 52.037 -0.023 0.000 0.647 337 A CB -0.741 18.267 19.000 0.013 0.000 0.828 337 A HN 0.301 nan 8.150 nan 0.000 0.455 338 L N -0.417 120.776 121.223 -0.051 0.000 2.093 338 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 338 L C 2.552 179.412 176.870 -0.016 0.000 1.085 338 L CA 2.638 57.479 54.840 0.001 0.000 0.755 338 L CB -0.754 41.282 42.059 -0.039 0.000 0.904 338 L HN 0.360 nan 8.230 nan 0.000 0.435 339 S N -1.108 114.561 115.700 -0.051 0.000 2.406 339 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 339 S C 1.524 176.114 174.600 -0.016 0.000 1.020 339 S CA 1.343 59.518 58.200 -0.041 0.000 0.965 339 S CB -0.307 62.857 63.200 -0.060 0.000 0.798 339 S HN 0.604 nan 8.310 nan 0.000 0.488 340 D N 1.506 121.898 120.400 -0.013 0.000 2.085 340 D HA 0.129 4.769 4.640 -0.000 0.000 0.199 340 D C 2.318 178.627 176.300 0.015 0.000 0.981 340 D CA 1.327 55.326 54.000 -0.000 0.000 0.834 340 D CB -0.593 40.205 40.800 -0.003 0.000 0.992 340 D HN 0.419 nan 8.370 nan 0.000 0.457 341 A N 0.229 123.063 122.820 0.023 0.000 1.986 341 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 341 A C 1.989 179.601 177.584 0.047 0.000 1.171 341 A CA 1.128 53.188 52.037 0.038 0.000 0.640 341 A CB -0.599 18.432 19.000 0.052 0.000 0.811 341 A HN 0.164 nan 8.150 nan 0.000 0.451 342 L N -0.824 120.423 121.223 0.040 0.000 2.131 342 L HA -0.035 4.305 4.340 -0.000 0.000 0.206 342 L C 2.648 179.589 176.870 0.118 0.000 1.087 342 L CA 2.316 57.188 54.840 0.054 0.000 0.767 342 L CB -1.033 41.017 42.059 -0.015 0.000 0.917 342 L HN 0.368 nan 8.230 nan 0.000 0.441 343 T N -1.251 113.341 114.554 0.064 0.000 2.737 343 T HA -0.200 4.150 4.350 -0.000 0.000 0.265 343 T C 1.739 176.460 174.700 0.035 0.000 1.038 343 T CA 1.324 63.456 62.100 0.054 0.000 1.144 343 T CB -0.070 68.811 68.868 0.022 0.000 0.866 343 T HN 0.370 nan 8.240 nan 0.000 0.434 344 E N 0.828 121.044 120.200 0.026 0.000 2.097 344 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 344 E C 1.934 178.534 176.600 0.000 0.000 1.000 344 E CA 0.969 57.376 56.400 0.011 0.000 0.804 344 E CB -0.259 29.449 29.700 0.014 0.000 0.740 344 E HN 0.422 nan 8.360 nan 0.000 0.454 345 L N -0.418 120.816 121.223 0.019 0.000 2.549 345 L HA -0.031 4.309 4.340 -0.000 0.000 0.229 345 L C 1.255 178.038 176.870 -0.145 0.000 1.158 345 L CA 0.702 55.514 54.840 -0.045 0.000 0.842 345 L CB -0.124 41.920 42.059 -0.024 0.000 0.952 345 L HN 0.526 nan 8.230 nan 0.000 0.452 346 G N -1.515 107.232 108.800 -0.087 0.000 2.140 346 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.211 346 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.211 346 G C -0.280 174.449 174.900 -0.284 0.000 1.013 346 G CA -0.544 44.447 45.100 -0.181 0.000 0.705 346 G HN 0.225 nan 8.290 nan 0.000 0.508 347 Y N -0.356 119.903 120.300 -0.069 0.000 2.496 347 Y HA 0.634 5.184 4.550 -0.000 0.000 0.331 347 Y C 0.738 176.616 175.900 -0.035 0.000 1.140 347 Y CA -0.844 57.228 58.100 -0.048 0.000 1.166 347 Y CB 1.272 39.705 38.460 -0.046 0.000 1.249 347 Y HN 0.072 nan 8.280 nan 0.000 0.479 348 K N 2.960 123.444 120.400 0.140 0.000 2.248 348 K HA 0.375 4.695 4.320 -0.000 0.000 0.281 348 K C -1.453 175.180 176.600 0.055 0.000 1.054 348 K CA -0.350 55.977 56.287 0.067 0.000 0.903 348 K CB 0.291 32.814 32.500 0.039 0.000 1.077 348 K HN 0.507 nan 8.250 nan 0.000 0.474 349 I N 5.641 126.226 120.570 0.025 0.000 2.328 349 I HA 0.117 4.287 4.170 -0.000 0.000 0.287 349 I C 0.182 176.281 176.117 -0.029 0.000 1.012 349 I CA -0.879 60.417 61.300 -0.007 0.000 1.195 349 I CB 1.167 39.156 38.000 -0.018 0.000 1.350 349 I HN 0.388 nan 8.210 nan 0.000 0.464 350 V N 6.614 126.503 119.914 -0.042 0.000 2.790 350 V HA -0.091 4.029 4.120 -0.000 0.000 0.304 350 V C 1.555 177.581 176.094 -0.113 0.000 1.142 350 V CA 1.519 63.781 62.300 -0.063 0.000 1.282 350 V CB -0.119 31.662 31.823 -0.072 0.000 0.877 350 V HN 1.099 nan 8.190 nan 0.000 0.504 351 T N 1.140 115.634 114.554 -0.101 0.000 7.366 351 T HA -0.252 4.098 4.350 -0.000 0.000 0.298 351 T C 1.600 176.277 174.700 -0.038 0.000 2.046 351 T CA 1.620 63.642 62.100 -0.129 0.000 3.126 351 T CB -1.874 66.707 68.868 -0.479 0.000 2.130 351 T HN 2.697 nan 8.240 nan 0.000 1.215 352 G N -0.295 108.487 108.800 -0.029 0.000 2.498 352 G HA2 0.227 4.187 3.960 -0.000 0.000 0.229 352 G HA3 0.227 4.187 3.960 -0.000 0.000 0.229 352 G C 1.201 176.083 174.900 -0.031 0.000 1.156 352 G CA 0.739 45.832 45.100 -0.012 0.000 0.680 352 G HN 2.227 nan 8.290 nan 0.000 0.512 353 G N -1.305 107.461 108.800 -0.057 0.000 2.827 353 G HA2 0.740 4.700 3.960 -0.000 0.000 0.202 353 G HA3 0.740 4.700 3.960 -0.000 0.000 0.202 353 G C -0.704 174.133 174.900 -0.105 0.000 1.185 353 G CA 0.917 45.977 45.100 -0.067 0.000 0.920 353 G HN 1.633 nan 8.290 nan 0.000 0.550 354 S N -1.379 114.263 115.700 -0.096 0.000 2.588 354 S HA 0.579 5.049 4.470 -0.000 0.000 0.275 354 S C -1.120 173.431 174.600 -0.081 0.000 1.130 354 S CA -0.376 57.754 58.200 -0.116 0.000 0.855 354 S CB 2.074 65.200 63.200 -0.124 0.000 1.116 354 S HN 0.327 nan 8.310 nan 0.000 0.472 355 D N 1.266 121.622 120.400 -0.074 0.000 2.441 355 D HA 0.207 4.847 4.640 -0.000 0.000 0.210 355 D C 0.440 176.738 176.300 -0.004 0.000 1.102 355 D CA 0.416 54.397 54.000 -0.031 0.000 0.840 355 D CB 0.283 41.074 40.800 -0.016 0.000 0.990 355 D HN 0.670 nan 8.370 nan 0.000 0.505 356 N N -0.712 117.987 118.700 -0.002 0.000 3.464 356 N HA 0.004 4.744 4.740 -0.000 0.000 0.335 356 N C 0.943 176.489 175.510 0.059 0.000 1.489 356 N CA -0.303 52.794 53.050 0.079 0.000 0.652 356 N CB -0.270 38.342 38.487 0.208 0.000 2.334 356 N HN -0.147 nan 8.380 nan 0.000 0.560 357 H N -0.857 118.189 119.070 -0.041 0.000 2.551 357 H HA 0.374 4.930 4.556 -0.000 0.000 0.271 357 H C -0.216 175.083 175.328 -0.048 0.000 0.984 357 H CA -0.327 55.682 56.048 -0.064 0.000 1.164 357 H CB -0.445 29.290 29.762 -0.046 0.000 1.437 357 H HN 0.482 nan 8.280 nan 0.000 0.550 358 L N -0.055 120.850 121.223 -0.530 0.000 2.303 358 L HA 0.720 5.060 4.340 -0.000 0.000 0.256 358 L C -0.558 176.175 176.870 -0.227 0.000 1.034 358 L CA -1.707 52.899 54.840 -0.390 0.000 0.832 358 L CB 2.141 43.915 42.059 -0.476 0.000 1.403 358 L HN 0.105 nan 8.230 nan 0.000 0.419 359 I N -1.239 119.234 120.570 -0.163 0.000 3.006 359 I HA 0.829 4.999 4.170 -0.000 0.000 0.306 359 I C -1.634 174.425 176.117 -0.097 0.000 1.250 359 I CA -0.903 60.321 61.300 -0.127 0.000 0.996 359 I CB 2.304 40.241 38.000 -0.105 0.000 1.261 359 I HN 0.766 nan 8.210 nan 0.000 0.442 363 L N 2.123 123.388 121.223 0.071 0.000 2.450 363 L HA 0.131 4.471 4.340 -0.000 0.000 0.224 363 L C 2.399 179.301 176.870 0.054 0.000 1.149 363 L CA 1.048 55.944 54.840 0.094 0.000 0.816 363 L CB -0.707 41.399 42.059 0.078 0.000 0.932 363 L HN 0.467 nan 8.230 nan 0.000 0.449 364 R N 0.182 120.701 120.500 0.032 0.000 2.133 364 R HA -0.180 4.160 4.340 -0.000 0.000 0.247 364 R C 1.625 177.930 176.300 0.008 0.000 1.151 364 R CA 1.579 57.688 56.100 0.014 0.000 0.971 364 R CB -0.183 30.123 30.300 0.011 0.000 0.866 364 R HN 0.507 nan 8.270 nan 0.000 0.447 365 S N -0.291 115.414 115.700 0.009 0.000 2.967 365 S HA 0.134 4.604 4.470 -0.000 0.000 0.254 365 S C 0.234 174.821 174.600 -0.021 0.000 1.089 365 S CA -0.138 58.056 58.200 -0.009 0.000 1.183 365 S CB 0.456 63.646 63.200 -0.016 0.000 0.848 365 S HN 0.185 nan 8.310 nan 0.000 0.477 366 K N -0.568 119.828 120.400 -0.007 0.000 2.614 366 K HA 0.232 4.552 4.320 -0.000 0.000 0.192 366 K C 1.157 177.755 176.600 -0.002 0.000 1.398 366 K CA 0.427 56.710 56.287 -0.008 0.000 1.074 366 K CB 0.333 32.844 32.500 0.018 0.000 1.182 366 K HN 0.488 nan 8.250 nan 0.000 0.604 367 G N 1.504 110.299 108.800 -0.007 0.000 2.302 367 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.263 367 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.263 367 G C 0.473 175.360 174.900 -0.022 0.000 0.995 367 G CA 1.528 46.619 45.100 -0.016 0.000 0.622 367 G HN 0.360 nan 8.290 nan 0.000 0.538 368 T N 1.163 115.711 114.554 -0.010 0.000 2.928 368 T HA 0.537 4.887 4.350 -0.000 0.000 0.284 368 T C 0.194 174.884 174.700 -0.016 0.000 1.008 368 T CA 0.411 62.496 62.100 -0.025 0.000 1.057 368 T CB 1.039 69.906 68.868 -0.002 0.000 1.018 368 T HN 0.563 nan 8.240 nan 0.000 0.493 369 D N 1.121 121.497 120.400 -0.040 0.000 2.442 369 D HA 0.511 5.151 4.640 -0.000 0.000 0.254 369 D C 1.392 177.685 176.300 -0.012 0.000 1.069 369 D CA -0.579 53.407 54.000 -0.024 0.000 1.017 369 D CB 0.461 41.239 40.800 -0.038 0.000 1.172 369 D HN 0.526 nan 8.370 nan 0.000 0.561 370 G N -0.882 107.918 108.800 -0.000 0.000 2.471 370 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.219 370 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.219 370 G C 1.314 176.224 174.900 0.017 0.000 1.125 370 G CA 0.458 45.564 45.100 0.011 0.000 0.775 370 G HN 0.593 nan 8.290 nan 0.000 0.548 371 G N 0.772 109.575 108.800 0.006 0.000 2.421 371 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 371 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 371 G C 1.923 176.855 174.900 0.053 0.000 1.171 371 G CA 0.764 45.878 45.100 0.022 0.000 0.775 371 G HN 0.438 nan 8.290 nan 0.000 0.543 372 R N 0.541 121.029 120.500 -0.019 0.000 2.061 372 R HA 0.087 4.427 4.340 -0.000 0.000 0.230 372 R C 3.090 179.510 176.300 0.201 0.000 1.140 372 R CA 1.158 57.239 56.100 -0.032 0.000 0.940 372 R CB -0.641 29.367 30.300 -0.487 0.000 0.839 372 R HN 0.300 nan 8.270 nan 0.000 0.429 373 A N 1.542 124.417 122.820 0.092 0.000 1.927 373 A HA -0.318 4.002 4.320 -0.000 0.000 0.220 373 A C 2.111 179.762 177.584 0.111 0.000 1.185 373 A CA 2.077 54.181 52.037 0.111 0.000 0.639 373 A CB -0.681 18.359 19.000 0.067 0.000 0.820 373 A HN 0.557 nan 8.150 nan 0.000 0.451 374 E N -0.559 119.696 120.200 0.092 0.000 2.051 374 E HA -0.287 4.063 4.350 -0.000 0.000 0.192 374 E C 2.026 178.677 176.600 0.086 0.000 0.991 374 E CA 1.702 58.146 56.400 0.073 0.000 0.799 374 E CB -0.131 29.603 29.700 0.058 0.000 0.748 374 E HN 0.436 nan 8.360 nan 0.000 0.449 375 K N 0.298 120.778 120.400 0.132 0.000 2.097 375 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 375 K C 1.943 178.576 176.600 0.056 0.000 1.049 375 K CA 1.265 57.614 56.287 0.103 0.000 0.933 375 K CB -0.377 32.215 32.500 0.153 0.000 0.717 375 K HN 0.083 nan 8.250 nan 0.000 0.442 376 V N 1.023 121.003 119.914 0.111 0.000 2.237 376 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 376 V C 2.260 178.373 176.094 0.031 0.000 1.046 376 V CA 1.921 64.256 62.300 0.058 0.000 1.007 376 V CB -0.476 31.431 31.823 0.141 0.000 0.638 376 V HN 0.273 nan 8.190 nan 0.000 0.445 377 L N 0.014 121.265 121.223 0.047 0.000 2.187 377 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 377 L C 2.567 179.442 176.870 0.009 0.000 1.100 377 L CA 1.971 56.827 54.840 0.026 0.000 0.765 377 L CB -0.568 41.511 42.059 0.033 0.000 0.904 377 L HN 0.499 nan 8.230 nan 0.000 0.437 378 E N 0.623 120.830 120.200 0.012 0.000 2.047 378 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 378 E C 2.219 178.810 176.600 -0.015 0.000 0.987 378 E CA 1.048 57.448 56.400 0.001 0.000 0.799 378 E CB -0.048 29.656 29.700 0.006 0.000 0.752 378 E HN 0.432 nan 8.360 nan 0.000 0.449 379 A N 0.088 122.894 122.820 -0.024 0.000 2.186 379 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 379 A C 1.843 179.405 177.584 -0.037 0.000 1.159 379 A CA 1.161 53.175 52.037 -0.038 0.000 0.680 379 A CB -0.457 18.509 19.000 -0.057 0.000 0.787 379 A HN 0.471 nan 8.150 nan 0.000 0.467 380 C N -0.493 118.787 119.300 -0.033 0.000 2.760 380 C HA 0.446 4.906 4.460 -0.000 0.000 0.293 380 C C 1.132 176.083 174.990 -0.065 0.000 1.383 380 C CA 0.117 59.106 59.018 -0.048 0.000 1.771 380 C CB -1.594 26.120 27.740 -0.044 0.000 2.353 380 C HN 0.586 nan 8.230 nan 0.000 0.578 381 S N 0.869 116.541 115.700 -0.046 0.000 3.698 381 S HA -0.178 4.292 4.470 -0.000 0.000 0.338 381 S C -0.185 174.391 174.600 -0.039 0.000 1.089 381 S CA 0.618 58.792 58.200 -0.043 0.000 0.991 381 S CB -1.517 61.648 63.200 -0.057 0.000 0.909 381 S HN 0.769 nan 8.310 nan 0.000 0.485 382 I N 1.132 121.689 120.570 -0.023 0.000 2.537 382 I HA 0.494 4.663 4.170 -0.000 0.000 0.276 382 I C 0.293 176.418 176.117 0.013 0.000 1.063 382 I CA -0.417 60.880 61.300 -0.004 0.000 1.144 382 I CB 1.313 39.311 38.000 -0.003 0.000 1.252 382 I HN 0.353 nan 8.210 nan 0.000 0.480 383 A N 5.812 128.644 122.820 0.020 0.000 2.362 383 A HA 0.701 5.021 4.320 -0.000 0.000 0.276 383 A C 0.091 177.692 177.584 0.029 0.000 1.153 383 A CA -0.237 51.814 52.037 0.023 0.000 0.813 383 A CB 0.181 19.195 19.000 0.023 0.000 1.081 383 A HN 0.938 nan 8.150 nan 0.000 0.507 384 C N 0.947 120.263 119.300 0.028 0.000 3.251 384 C HA 0.708 5.168 4.460 -0.000 0.000 0.376 384 C C -0.554 174.453 174.990 0.028 0.000 1.791 384 C CA -1.293 57.743 59.018 0.030 0.000 1.163 384 C CB 0.622 28.379 27.740 0.028 0.000 2.128 384 C HN 0.828 nan 8.230 nan 0.000 0.429 385 N N 0.346 119.061 118.700 0.025 0.000 2.314 385 N HA 0.526 5.266 4.740 -0.000 0.000 0.304 385 N C -0.802 174.717 175.510 0.014 0.000 1.073 385 N CA -0.674 52.389 53.050 0.022 0.000 0.822 385 N CB 1.320 39.821 38.487 0.023 0.000 1.280 385 N HN 0.771 nan 8.380 nan 0.000 0.489 386 K N 0.759 121.167 120.400 0.014 0.000 3.141 386 K HA 0.161 4.481 4.320 -0.000 0.000 0.248 386 K C -0.259 176.340 176.600 -0.002 0.000 1.282 386 K CA -0.531 55.763 56.287 0.011 0.000 1.251 386 K CB -0.094 32.416 32.500 0.018 0.000 1.533 386 K HN 0.424 nan 8.250 nan 0.000 0.409 387 N N 2.257 120.953 118.700 -0.008 0.000 2.345 387 N HA -0.056 4.684 4.740 -0.000 0.000 0.243 387 N C -0.373 175.120 175.510 -0.027 0.000 1.246 387 N CA 0.652 53.688 53.050 -0.023 0.000 0.863 387 N CB 0.760 39.231 38.487 -0.027 0.000 1.096 387 N HN 0.508 nan 8.380 nan 0.000 0.446 388 T N 0.577 115.106 114.554 -0.042 0.000 2.919 388 T HA 0.194 4.544 4.350 -0.000 0.000 0.302 388 T C 0.752 175.434 174.700 -0.030 0.000 1.031 388 T CA -0.785 61.292 62.100 -0.038 0.000 1.127 388 T CB 0.415 69.249 68.868 -0.057 0.000 0.952 388 T HN 0.359 nan 8.240 nan 0.000 0.540 389 C N 3.824 123.114 119.300 -0.017 0.000 2.422 389 C HA 0.403 4.863 4.460 -0.000 0.000 0.364 389 C C -1.545 173.442 174.990 -0.005 0.000 1.251 389 C CA -1.382 57.630 59.018 -0.009 0.000 2.441 389 C CB 0.380 28.119 27.740 -0.002 0.000 2.393 389 C HN 0.716 nan 8.230 nan 0.000 0.606 390 P HA 0.181 nan 4.420 nan 0.000 0.238 390 P C 0.138 177.447 177.300 0.016 0.000 1.649 390 P CA 0.773 63.882 63.100 0.014 0.000 0.960 390 P CB -0.467 31.251 31.700 0.030 0.000 1.911 391 G N -0.314 108.491 108.800 0.009 0.000 3.183 391 G HA2 0.201 4.161 3.960 -0.000 0.000 0.247 391 G HA3 0.201 4.161 3.960 -0.000 0.000 0.247 391 G C -0.701 174.207 174.900 0.012 0.000 1.211 391 G CA -0.200 44.907 45.100 0.012 0.000 0.835 391 G HN 0.118 nan 8.290 nan 0.000 0.604 392 D N -0.925 119.483 120.400 0.013 0.000 2.540 392 D HA 0.165 4.805 4.640 -0.000 0.000 0.229 392 D C 1.077 177.388 176.300 0.018 0.000 1.250 392 D CA -0.198 53.813 54.000 0.017 0.000 0.817 392 D CB 0.683 41.491 40.800 0.014 0.000 1.060 392 D HN 0.274 nan 8.370 nan 0.000 0.508 393 K N -0.094 120.314 120.400 0.014 0.000 2.353 393 K HA 0.142 4.462 4.320 -0.000 0.000 0.191 393 K C -0.178 176.435 176.600 0.021 0.000 1.102 393 K CA 0.428 56.722 56.287 0.013 0.000 1.131 393 K CB 0.354 32.858 32.500 0.007 0.000 1.566 393 K HN -0.137 nan 8.250 nan 0.000 0.490 394 S N -1.858 113.853 115.700 0.018 0.000 2.614 394 S HA 0.360 4.830 4.470 -0.000 0.000 0.280 394 S C -1.752 172.859 174.600 0.018 0.000 1.111 394 S CA -0.530 57.687 58.200 0.028 0.000 0.847 394 S CB 1.187 64.410 63.200 0.039 0.000 1.079 394 S HN 0.675 nan 8.310 nan 0.000 0.452 395 A N 1.341 124.171 122.820 0.018 0.000 2.555 395 A HA 0.545 4.865 4.320 -0.000 0.000 0.233 395 A C 1.083 178.675 177.584 0.014 0.000 1.060 395 A CA 0.929 52.968 52.037 0.004 0.000 0.759 395 A CB -0.679 18.319 19.000 -0.003 0.000 0.995 395 A HN 1.540 nan 8.150 nan 0.000 0.506 396 L N -0.812 120.418 121.223 0.010 0.000 3.558 396 L HA -0.140 4.200 4.340 -0.000 0.000 0.422 396 L C 0.932 177.813 176.870 0.018 0.000 0.740 396 L CA 1.352 56.203 54.840 0.018 0.000 2.578 396 L CB -1.080 40.992 42.059 0.022 0.000 1.116 396 L HN 0.854 nan 8.230 nan 0.000 0.626 397 R N -0.483 120.023 120.500 0.011 0.000 2.714 397 R HA 0.272 4.612 4.340 -0.000 0.000 0.214 397 R C -2.538 173.762 176.300 -0.000 0.000 1.474 397 R CA -0.941 55.162 56.100 0.005 0.000 1.435 397 R CB 0.971 31.273 30.300 0.003 0.000 1.517 397 R HN -0.050 nan 8.270 nan 0.000 0.748 398 P HA 0.235 nan 4.420 nan 0.000 0.298 398 P C 0.125 177.423 177.300 -0.004 0.000 1.404 398 P CA 0.381 63.479 63.100 -0.003 0.000 0.795 398 P CB 0.470 32.167 31.700 -0.006 0.000 1.842 399 S N -3.527 112.172 115.700 -0.002 0.000 2.389 399 S HA 0.294 4.764 4.470 -0.000 0.000 0.261 399 S C 0.325 174.930 174.600 0.008 0.000 0.992 399 S CA 0.051 58.252 58.200 0.002 0.000 1.497 399 S CB 0.322 63.523 63.200 0.002 0.000 1.217 399 S HN 0.548 nan 8.310 nan 0.000 0.633 400 G N 0.822 109.625 108.800 0.004 0.000 2.714 400 G HA2 0.791 4.751 3.960 -0.000 0.000 0.292 400 G HA3 0.791 4.751 3.960 -0.000 0.000 0.292 400 G C -1.602 173.297 174.900 -0.001 0.000 1.308 400 G CA -0.661 44.441 45.100 0.004 0.000 0.964 400 G HN 0.167 nan 8.290 nan 0.000 0.484 401 L N 0.065 121.284 121.223 -0.007 0.000 2.381 401 L HA 0.594 4.934 4.340 -0.000 0.000 0.268 401 L C 0.001 176.859 176.870 -0.020 0.000 0.997 401 L CA -0.886 53.948 54.840 -0.010 0.000 0.818 401 L CB 2.580 44.631 42.059 -0.014 0.000 1.310 401 L HN 0.446 nan 8.230 nan 0.000 0.416 402 R N 3.321 123.813 120.500 -0.014 0.000 2.295 402 R HA 0.702 5.042 4.340 -0.000 0.000 0.324 402 R C -1.557 174.736 176.300 -0.011 0.000 0.968 402 R CA -0.493 55.594 56.100 -0.022 0.000 0.837 402 R CB 0.944 31.235 30.300 -0.015 0.000 1.133 402 R HN 0.561 nan 8.270 nan 0.000 0.450 403 L N 3.086 124.292 121.223 -0.028 0.000 2.346 403 L HA 0.701 5.041 4.340 -0.000 0.000 0.274 403 L C 0.345 177.197 176.870 -0.031 0.000 1.007 403 L CA -0.961 53.874 54.840 -0.008 0.000 0.818 403 L CB 2.278 44.334 42.059 -0.004 0.000 1.284 403 L HN 0.770 nan 8.230 nan 0.000 0.424 404 G N -0.781 108.028 108.800 0.014 0.000 2.605 404 G HA2 0.518 4.477 3.960 -0.000 0.000 0.296 404 G HA3 0.518 4.477 3.960 -0.000 0.000 0.296 404 G C 0.165 175.110 174.900 0.074 0.000 1.304 404 G CA 0.071 45.176 45.100 0.010 0.000 0.941 404 G HN 0.607 nan 8.290 nan 0.000 0.475 405 T N -2.603 111.987 114.554 0.059 0.000 2.985 405 T HA 0.261 4.611 4.350 -0.000 0.000 0.254 405 T C -0.897 173.916 174.700 0.189 0.000 1.021 405 T CA 0.086 62.244 62.100 0.096 0.000 0.957 405 T CB 0.400 69.114 68.868 -0.258 0.000 1.047 405 T HN 0.228 nan 8.240 nan 0.000 0.511 406 P HA -0.068 nan 4.420 nan 0.000 0.215 406 P C 1.900 179.359 177.300 0.264 0.000 1.157 406 P CA 1.877 65.106 63.100 0.214 0.000 0.874 406 P CB -0.330 31.465 31.700 0.157 0.000 0.790 407 A N -0.381 122.523 122.820 0.140 0.000 1.842 407 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 407 A C 2.287 180.030 177.584 0.265 0.000 1.206 407 A CA 1.996 54.062 52.037 0.049 0.000 0.630 407 A CB -1.750 17.191 19.000 -0.098 0.000 0.839 407 A HN 0.109 nan 8.150 nan 0.000 0.447 408 L N -0.772 120.600 121.223 0.249 0.000 2.131 408 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 408 L C 2.793 179.779 176.870 0.194 0.000 1.092 408 L CA 1.712 56.648 54.840 0.159 0.000 0.759 408 L CB -0.800 41.256 42.059 -0.006 0.000 0.903 408 L HN 0.441 nan 8.230 nan 0.000 0.435 409 T N -1.316 113.460 114.554 0.371 0.000 2.746 409 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 409 T C 2.041 176.985 174.700 0.405 0.000 1.039 409 T CA 1.583 63.920 62.100 0.395 0.000 1.142 409 T CB -0.120 68.950 68.868 0.335 0.000 0.866 409 T HN 0.241 nan 8.240 nan 0.000 0.444 410 S N 0.757 116.715 115.700 0.430 0.000 2.469 410 S HA -0.002 4.468 4.470 -0.000 0.000 0.238 410 S C 1.812 176.506 174.600 0.157 0.000 0.998 410 S CA 0.693 59.014 58.200 0.201 0.000 0.957 410 S CB -0.132 63.137 63.200 0.115 0.000 0.764 410 S HN 0.439 nan 8.310 nan 0.000 0.514 411 R N -0.235 120.363 120.500 0.164 0.000 2.334 411 R HA 0.227 4.567 4.340 -0.000 0.000 0.216 411 R C 1.615 178.001 176.300 0.142 0.000 0.905 411 R CA 0.568 56.716 56.100 0.080 0.000 1.064 411 R CB 0.359 30.650 30.300 -0.015 0.000 1.046 411 R HN 0.451 nan 8.270 nan 0.000 0.508 412 G N 0.542 109.443 108.800 0.168 0.000 2.491 412 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.203 412 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.203 412 G C 0.101 175.138 174.900 0.229 0.000 1.052 412 G CA -0.683 44.555 45.100 0.230 0.000 0.675 412 G HN 0.057 nan 8.290 nan 0.000 0.504 413 L N 1.930 123.198 121.223 0.076 0.000 2.811 413 L HA 0.033 4.373 4.340 -0.000 0.000 0.304 413 L C 1.117 178.115 176.870 0.214 0.000 1.227 413 L CA 1.326 56.158 54.840 -0.014 0.000 0.880 413 L CB -0.566 41.205 42.059 -0.479 0.000 1.169 413 L HN 0.389 nan 8.230 nan 0.000 0.498 414 L N 2.432 123.808 121.223 0.255 0.000 2.293 414 L HA 0.284 4.624 4.340 -0.000 0.000 0.264 414 L C 1.343 178.416 176.870 0.338 0.000 1.029 414 L CA -0.935 54.073 54.840 0.280 0.000 0.897 414 L CB 0.691 42.869 42.059 0.198 0.000 1.497 414 L HN 0.409 nan 8.230 nan 0.000 0.495 415 E N 0.270 120.618 120.200 0.247 0.000 2.048 415 E HA -0.255 4.095 4.350 -0.000 0.000 0.202 415 E C 1.691 178.418 176.600 0.211 0.000 1.021 415 E CA 2.005 58.536 56.400 0.218 0.000 0.825 415 E CB -0.139 29.632 29.700 0.118 0.000 0.756 415 E HN 0.525 nan 8.360 nan 0.000 0.454 416 E N 0.554 120.852 120.200 0.163 0.000 2.097 416 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 416 E C 1.740 178.434 176.600 0.157 0.000 1.000 416 E CA 1.462 57.942 56.400 0.132 0.000 0.804 416 E CB -0.159 29.611 29.700 0.117 0.000 0.740 416 E HN 0.332 nan 8.360 nan 0.000 0.454 417 D N 0.095 120.630 120.400 0.225 0.000 2.117 417 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 417 D C 1.713 178.100 176.300 0.145 0.000 0.982 417 D CA 0.857 55.028 54.000 0.284 0.000 0.828 417 D CB -0.276 40.731 40.800 0.344 0.000 0.967 417 D HN 0.133 nan 8.370 nan 0.000 0.464 418 F N 1.599 121.639 119.950 0.150 0.000 2.365 418 F HA -0.067 4.460 4.527 -0.000 0.000 0.300 418 F C 2.542 178.378 175.800 0.059 0.000 1.090 418 F CA 0.840 58.901 58.000 0.102 0.000 1.408 418 F CB -0.067 38.974 39.000 0.067 0.000 1.060 418 F HN -0.060 nan 8.300 nan 0.000 0.534 419 Q N -0.144 119.769 119.800 0.190 0.000 2.096 419 Q HA -0.149 4.191 4.340 -0.000 0.000 0.197 419 Q C 2.082 178.082 176.000 0.000 0.000 0.964 419 Q CA 1.095 56.953 55.803 0.092 0.000 0.838 419 Q CB -0.185 28.586 28.738 0.055 0.000 0.906 419 Q HN 0.350 nan 8.270 nan 0.000 0.444 420 K N 0.281 120.626 120.400 -0.090 0.000 2.152 420 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 420 K C 2.073 178.453 176.600 -0.366 0.000 1.048 420 K CA 1.213 57.293 56.287 -0.345 0.000 0.933 420 K CB -0.109 32.085 32.500 -0.511 0.000 0.721 420 K HN 0.003 nan 8.250 nan 0.000 0.447 421 V N 1.425 121.294 119.914 -0.075 0.000 2.295 421 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 421 V C 2.390 178.573 176.094 0.149 0.000 1.049 421 V CA 2.026 64.418 62.300 0.153 0.000 1.024 421 V CB -0.768 31.147 31.823 0.152 0.000 0.648 421 V HN 0.377 nan 8.190 nan 0.000 0.447 422 A N -0.475 122.418 122.820 0.121 0.000 1.903 422 A HA -0.372 3.948 4.320 -0.000 0.000 0.219 422 A C 2.113 179.765 177.584 0.114 0.000 1.191 422 A CA 2.742 54.841 52.037 0.104 0.000 0.638 422 A CB -0.963 18.095 19.000 0.096 0.000 0.823 422 A HN 0.740 nan 8.150 nan 0.000 0.451 423 H N -1.696 117.354 119.070 -0.033 0.000 2.353 423 H HA -0.106 4.450 4.556 -0.000 0.000 0.300 423 H C 1.649 176.975 175.328 -0.003 0.000 1.090 423 H CA 1.974 58.002 56.048 -0.034 0.000 1.327 423 H CB -0.346 29.296 29.762 -0.200 0.000 1.383 423 H HN 0.427 nan 8.280 nan 0.000 0.508 424 F N 0.255 120.198 119.950 -0.010 0.000 2.120 424 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 424 F C 2.514 178.275 175.800 -0.066 0.000 1.095 424 F CA 1.303 59.262 58.000 -0.068 0.000 1.249 424 F CB -0.751 38.221 39.000 -0.047 0.000 0.995 424 F HN 0.212 nan 8.300 nan 0.000 0.480 425 I N -1.146 119.526 120.570 0.171 0.000 2.179 425 I HA -0.339 3.831 4.170 -0.000 0.000 0.242 425 I C 2.561 178.709 176.117 0.052 0.000 1.088 425 I CA 1.692 63.035 61.300 0.071 0.000 1.357 425 I CB -0.684 37.324 38.000 0.014 0.000 1.051 425 I HN 0.142 nan 8.210 nan 0.000 0.409 426 H N 2.067 121.093 119.070 -0.074 0.000 2.319 426 H HA -0.149 4.407 4.556 -0.000 0.000 0.297 426 H C 2.298 177.615 175.328 -0.018 0.000 1.097 426 H CA 1.761 57.802 56.048 -0.011 0.000 1.285 426 H CB -0.101 29.670 29.762 0.016 0.000 1.368 426 H HN 0.107 nan 8.280 nan 0.000 0.495 427 R N -0.357 120.003 120.500 -0.233 0.000 2.105 427 R HA -0.089 4.251 4.340 -0.000 0.000 0.239 427 R C 2.606 178.864 176.300 -0.070 0.000 1.135 427 R CA 1.061 57.013 56.100 -0.247 0.000 0.967 427 R CB -1.033 29.167 30.300 -0.167 0.000 0.861 427 R HN 0.512 nan 8.270 nan 0.000 0.442 428 G N 1.566 110.369 108.800 0.005 0.000 2.433 428 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 428 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 428 G C 1.584 176.526 174.900 0.069 0.000 1.186 428 G CA 0.505 45.629 45.100 0.040 0.000 0.779 428 G HN 0.188 nan 8.290 nan 0.000 0.543 429 I N 0.691 121.321 120.570 0.100 0.000 2.286 429 I HA -0.136 4.034 4.170 -0.000 0.000 0.248 429 I C 2.620 178.824 176.117 0.146 0.000 1.115 429 I CA 1.433 62.822 61.300 0.149 0.000 1.392 429 I CB -0.254 37.888 38.000 0.236 0.000 1.065 429 I HN 0.224 nan 8.210 nan 0.000 0.418 430 E N 1.791 122.061 120.200 0.115 0.000 2.065 430 E HA -0.275 4.075 4.350 -0.000 0.000 0.201 430 E C 2.195 178.828 176.600 0.054 0.000 1.016 430 E CA 1.661 58.089 56.400 0.047 0.000 0.818 430 E CB -0.400 29.229 29.700 -0.118 0.000 0.749 430 E HN 0.469 nan 8.360 nan 0.000 0.453 431 L N -0.141 121.112 121.223 0.050 0.000 2.046 431 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 431 L C 2.196 179.139 176.870 0.121 0.000 1.077 431 L CA 2.004 56.887 54.840 0.072 0.000 0.747 431 L CB -0.585 41.506 42.059 0.054 0.000 0.896 431 L HN 0.275 nan 8.230 nan 0.000 0.432 432 T N 0.526 115.163 114.554 0.138 0.000 2.635 432 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 432 T C 1.944 176.725 174.700 0.134 0.000 1.040 432 T CA 1.461 63.672 62.100 0.186 0.000 1.156 432 T CB -0.275 68.691 68.868 0.164 0.000 0.863 432 T HN 0.153 nan 8.240 nan 0.000 0.430 433 L N 1.311 122.591 121.223 0.096 0.000 2.013 433 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 433 L C 2.630 179.539 176.870 0.064 0.000 1.073 433 L CA 1.855 56.731 54.840 0.061 0.000 0.753 433 L CB -1.394 40.698 42.059 0.054 0.000 0.890 433 L HN 0.472 nan 8.230 nan 0.000 0.432 434 Q N -0.789 119.069 119.800 0.096 0.000 1.948 434 Q HA -0.253 4.087 4.340 -0.000 0.000 0.205 434 Q C 2.148 178.280 176.000 0.220 0.000 0.992 434 Q CA 1.572 57.457 55.803 0.136 0.000 0.849 434 Q CB -0.331 28.526 28.738 0.197 0.000 0.918 434 Q HN 0.354 nan 8.270 nan 0.000 0.421 435 I N 1.401 122.130 120.570 0.266 0.000 2.399 435 I HA -0.305 3.865 4.170 -0.000 0.000 0.254 435 I C 1.866 178.126 176.117 0.238 0.000 1.146 435 I CA 1.591 63.064 61.300 0.289 0.000 1.412 435 I CB -0.500 37.660 38.000 0.267 0.000 1.076 435 I HN 0.341 nan 8.210 nan 0.000 0.432 436 Q N 0.625 120.515 119.800 0.150 0.000 2.014 436 Q HA -0.182 4.158 4.340 -0.000 0.000 0.207 436 Q C 2.364 178.388 176.000 0.039 0.000 0.993 436 Q CA 2.255 58.089 55.803 0.052 0.000 0.850 436 Q CB -0.710 28.020 28.738 -0.013 0.000 0.916 436 Q HN 0.492 nan 8.270 nan 0.000 0.417 437 S N 0.207 115.904 115.700 -0.004 0.000 2.402 437 S HA -0.064 4.406 4.470 -0.000 0.000 0.229 437 S C 0.957 175.520 174.600 -0.061 0.000 1.021 437 S CA 0.299 58.461 58.200 -0.063 0.000 0.974 437 S CB -0.227 62.891 63.200 -0.138 0.000 0.800 437 S HN 0.376 nan 8.310 nan 0.000 0.484 441 T N -1.309 113.250 114.554 0.008 0.000 2.618 441 T HA 0.567 4.917 4.350 -0.000 0.000 0.255 441 T C 0.214 174.915 174.700 0.001 0.000 0.988 441 T CA 0.227 62.332 62.100 0.008 0.000 1.221 441 T CB 0.965 69.844 68.868 0.019 0.000 1.674 441 T HN 0.593 nan 8.240 nan 0.000 0.448 442 K N 0.412 120.814 120.400 0.004 0.000 2.676 442 K HA 0.648 4.968 4.320 -0.000 0.000 0.205 442 K C -0.084 176.519 176.600 0.004 0.000 1.084 442 K CA -0.470 55.817 56.287 -0.001 0.000 1.057 442 K CB 0.313 32.814 32.500 0.000 0.000 0.791 442 K HN 0.767 nan 8.250 nan 0.000 0.484 443 A N 0.869 123.696 122.820 0.011 0.000 2.327 443 A HA 0.392 4.712 4.320 -0.000 0.000 0.283 443 A C 0.429 178.023 177.584 0.016 0.000 1.127 443 A CA -0.402 51.648 52.037 0.022 0.000 0.810 443 A CB 0.524 19.549 19.000 0.042 0.000 1.066 443 A HN 0.427 nan 8.150 nan 0.000 0.492 444 T N -0.134 114.434 114.554 0.024 0.000 2.810 444 T HA 0.382 4.732 4.350 -0.000 0.000 0.277 444 T C 1.204 175.940 174.700 0.060 0.000 0.973 444 T CA -0.576 61.536 62.100 0.020 0.000 0.949 444 T CB 0.093 68.973 68.868 0.020 0.000 1.075 444 T HN 0.239 nan 8.240 nan 0.000 0.537 445 L N 0.577 121.837 121.223 0.061 0.000 2.034 445 L HA -0.158 4.182 4.340 -0.000 0.000 0.217 445 L C 2.648 179.622 176.870 0.174 0.000 1.077 445 L CA 1.835 56.764 54.840 0.148 0.000 0.769 445 L CB -1.481 40.645 42.059 0.111 0.000 0.890 445 L HN 0.687 nan 8.230 nan 0.000 0.435 446 K N -0.171 120.290 120.400 0.102 0.000 2.228 446 K HA -0.216 4.104 4.320 -0.000 0.000 0.205 446 K C 1.968 178.617 176.600 0.081 0.000 1.045 446 K CA 1.420 57.754 56.287 0.077 0.000 0.931 446 K CB -0.319 32.211 32.500 0.051 0.000 0.727 446 K HN 0.439 nan 8.250 nan 0.000 0.458 447 E N -0.327 119.936 120.200 0.105 0.000 2.166 447 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 447 E C 1.568 178.259 176.600 0.153 0.000 0.967 447 E CA 0.051 56.511 56.400 0.100 0.000 0.840 447 E CB -0.423 29.331 29.700 0.090 0.000 0.795 447 E HN 0.141 nan 8.360 nan 0.000 0.470 448 F N 2.482 122.440 119.950 0.013 0.000 2.192 448 F HA -0.223 4.304 4.527 -0.000 0.000 0.301 448 F C 1.310 177.117 175.800 0.013 0.000 1.079 448 F CA 1.435 59.445 58.000 0.015 0.000 1.303 448 F CB -0.061 38.949 39.000 0.016 0.000 1.024 448 F HN -0.092 nan 8.300 nan 0.000 0.494 449 K N -0.208 120.190 120.400 -0.004 0.000 2.360 449 K HA -0.146 4.174 4.320 -0.000 0.000 0.201 449 K C 1.730 178.268 176.600 -0.102 0.000 1.046 449 K CA 0.990 57.213 56.287 -0.106 0.000 0.945 449 K CB -0.094 32.391 32.500 -0.025 0.000 0.750 449 K HN 0.291 nan 8.250 nan 0.000 0.464 450 E N 1.565 121.735 120.200 -0.050 0.000 2.004 450 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 450 E C 1.608 178.172 176.600 -0.060 0.000 0.981 450 E CA 1.097 57.476 56.400 -0.034 0.000 0.842 450 E CB -0.381 29.322 29.700 0.006 0.000 0.796 450 E HN 0.154 nan 8.360 nan 0.000 0.477 451 K N 0.826 121.201 120.400 -0.041 0.000 2.444 451 K HA -0.127 4.193 4.320 -0.000 0.000 0.200 451 K C 2.120 178.655 176.600 -0.108 0.000 1.045 451 K CA 0.512 56.771 56.287 -0.047 0.000 0.934 451 K CB -0.093 32.408 32.500 0.002 0.000 0.756 451 K HN 0.115 nan 8.250 nan 0.000 0.477 452 L N -0.163 120.946 121.223 -0.190 0.000 2.115 452 L HA -0.034 4.306 4.340 -0.000 0.000 0.200 452 L C 2.308 179.088 176.870 -0.151 0.000 1.094 452 L CA 0.965 55.659 54.840 -0.243 0.000 0.769 452 L CB -0.424 41.371 42.059 -0.439 0.000 0.931 452 L HN 0.137 nan 8.230 nan 0.000 0.455 453 A N 0.141 122.882 122.820 -0.133 0.000 1.829 453 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 453 A C 1.800 179.345 177.584 -0.065 0.000 1.207 453 A CA 1.615 53.601 52.037 -0.085 0.000 0.622 453 A CB -1.618 17.342 19.000 -0.067 0.000 0.846 453 A HN 0.529 nan 8.150 nan 0.000 0.447 454 G N -1.482 107.286 108.800 -0.054 0.000 2.572 454 G HA2 0.249 4.209 3.960 -0.000 0.000 0.144 454 G HA3 0.249 4.209 3.960 -0.000 0.000 0.144 454 G C 0.346 175.220 174.900 -0.042 0.000 1.747 454 G CA 0.941 46.017 45.100 -0.040 0.000 1.007 454 G HN 0.851 nan 8.290 nan 0.000 0.452 455 D N -2.098 118.282 120.400 -0.034 0.000 3.555 455 D HA -0.246 4.394 4.640 -0.000 0.000 0.255 455 D C 1.275 177.554 176.300 -0.035 0.000 1.942 455 D CA 2.581 56.561 54.000 -0.034 0.000 1.112 455 D CB -0.484 40.290 40.800 -0.043 0.000 0.856 455 D HN 0.755 nan 8.370 nan 0.000 1.027 456 E N -2.387 117.790 120.200 -0.039 0.000 1.790 456 E HA -0.080 4.270 4.350 -0.000 0.000 0.239 456 E C 1.523 178.098 176.600 -0.040 0.000 1.072 456 E CA 0.159 56.537 56.400 -0.036 0.000 1.530 456 E CB -0.669 29.014 29.700 -0.028 0.000 4.031 456 E HN 0.470 nan 8.360 nan 0.000 0.911 457 K N 1.726 122.099 120.400 -0.045 0.000 2.103 457 K HA 0.004 4.324 4.320 -0.000 0.000 0.207 457 K C 2.034 178.594 176.600 -0.066 0.000 1.048 457 K CA 1.878 58.133 56.287 -0.054 0.000 0.930 457 K CB -0.225 32.237 32.500 -0.064 0.000 0.716 457 K HN 0.236 nan 8.250 nan 0.000 0.444 458 I N 1.014 121.541 120.570 -0.071 0.000 2.617 458 I HA -0.137 4.033 4.170 -0.000 0.000 0.256 458 I C 2.554 178.638 176.117 -0.055 0.000 1.167 458 I CA 0.873 62.130 61.300 -0.071 0.000 1.469 458 I CB -0.046 37.913 38.000 -0.067 0.000 1.098 458 I HN 0.331 nan 8.210 nan 0.000 0.436 459 Q N 0.166 119.935 119.800 -0.052 0.000 2.403 459 Q HA -0.014 4.326 4.340 -0.000 0.000 0.203 459 Q C 1.810 177.788 176.000 -0.036 0.000 0.932 459 Q CA 0.476 56.251 55.803 -0.048 0.000 0.945 459 Q CB 0.334 29.044 28.738 -0.048 0.000 1.045 459 Q HN 0.315 nan 8.270 nan 0.000 0.511 460 S N -0.441 115.239 115.700 -0.034 0.000 2.446 460 S HA 0.059 4.529 4.470 -0.000 0.000 0.225 460 S C 1.727 176.315 174.600 -0.020 0.000 1.016 460 S CA 0.549 58.733 58.200 -0.025 0.000 0.943 460 S CB 0.190 63.375 63.200 -0.025 0.000 0.786 460 S HN 0.518 nan 8.310 nan 0.000 0.508 461 A N 1.193 123.999 122.820 -0.024 0.000 1.854 461 A HA 0.044 4.364 4.320 -0.000 0.000 0.214 461 A C 2.274 179.852 177.584 -0.011 0.000 1.192 461 A CA 1.304 53.332 52.037 -0.014 0.000 0.611 461 A CB -1.143 17.848 19.000 -0.016 0.000 0.832 461 A HN 0.315 nan 8.150 nan 0.000 0.442 462 V N 0.220 120.123 119.914 -0.019 0.000 2.287 462 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 462 V C 2.760 178.841 176.094 -0.021 0.000 1.053 462 V CA 2.594 64.881 62.300 -0.021 0.000 1.027 462 V CB -0.984 30.818 31.823 -0.035 0.000 0.646 462 V HN 0.620 nan 8.190 nan 0.000 0.447 463 A N -0.696 122.110 122.820 -0.022 0.000 1.958 463 A HA -0.264 4.056 4.320 -0.000 0.000 0.221 463 A C 2.322 179.900 177.584 -0.010 0.000 1.178 463 A CA 2.969 54.995 52.037 -0.019 0.000 0.642 463 A CB -1.249 17.741 19.000 -0.018 0.000 0.816 463 A HN 0.632 nan 8.150 nan 0.000 0.453 464 T N -0.227 114.326 114.554 -0.003 0.000 2.701 464 T HA -0.094 4.256 4.350 -0.000 0.000 0.263 464 T C 1.850 176.561 174.700 0.019 0.000 1.040 464 T CA 1.373 63.480 62.100 0.011 0.000 1.147 464 T CB -0.418 68.460 68.868 0.017 0.000 0.865 464 T HN 0.306 nan 8.240 nan 0.000 0.426 465 L N 1.672 122.905 121.223 0.017 0.000 2.046 465 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 465 L C 2.519 179.366 176.870 -0.038 0.000 1.077 465 L CA 1.718 56.571 54.840 0.022 0.000 0.747 465 L CB -0.715 41.358 42.059 0.024 0.000 0.896 465 L HN 0.086 nan 8.230 nan 0.000 0.432 466 R N -0.390 120.083 120.500 -0.044 0.000 2.103 466 R HA -0.246 4.094 4.340 -0.000 0.000 0.242 466 R C 2.276 178.537 176.300 -0.064 0.000 1.142 466 R CA 2.014 58.074 56.100 -0.067 0.000 0.960 466 R CB -0.352 29.920 30.300 -0.045 0.000 0.858 466 R HN 0.671 nan 8.270 nan 0.000 0.439 467 E N 0.494 120.677 120.200 -0.029 0.000 2.017 467 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 467 E C 1.838 178.440 176.600 0.004 0.000 0.997 467 E CA 1.685 58.081 56.400 -0.008 0.000 0.804 467 E CB -0.168 29.538 29.700 0.010 0.000 0.757 467 E HN 0.448 nan 8.360 nan 0.000 0.448 468 E N -0.176 120.042 120.200 0.032 0.000 2.171 468 E HA -0.188 4.162 4.350 -0.000 0.000 0.197 468 E C 1.994 178.602 176.600 0.013 0.000 0.997 468 E CA 1.351 57.815 56.400 0.107 0.000 0.810 468 E CB 0.141 29.976 29.700 0.225 0.000 0.738 468 E HN 0.184 nan 8.360 nan 0.000 0.467 469 V N 1.073 120.829 119.914 -0.263 0.000 2.283 469 V HA -0.192 3.927 4.120 -0.000 0.000 0.243 469 V C 2.091 178.108 176.094 -0.129 0.000 1.039 469 V CA 2.016 63.998 62.300 -0.530 0.000 1.016 469 V CB -0.455 31.030 31.823 -0.564 0.000 0.650 469 V HN 0.288 nan 8.190 nan 0.000 0.449 470 E N 0.428 120.582 120.200 -0.077 0.000 2.153 470 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 470 E C 1.983 178.597 176.600 0.024 0.000 0.988 470 E CA 1.185 57.570 56.400 -0.024 0.000 0.811 470 E CB -0.234 29.450 29.700 -0.027 0.000 0.746 470 E HN 0.603 nan 8.360 nan 0.000 0.466 471 N N 0.627 119.364 118.700 0.061 0.000 2.171 471 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 471 N C 1.707 177.310 175.510 0.156 0.000 1.021 471 N CA 0.724 53.829 53.050 0.092 0.000 0.854 471 N CB -0.403 38.148 38.487 0.108 0.000 0.994 471 N HN 0.131 nan 8.380 nan 0.000 0.426 472 F N 2.147 122.151 119.950 0.090 0.000 2.134 472 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 472 F C 2.220 178.179 175.800 0.265 0.000 1.097 472 F CA 1.159 59.280 58.000 0.201 0.000 1.264 472 F CB -0.517 38.667 39.000 0.307 0.000 1.001 472 F HN 0.006 nan 8.300 nan 0.000 0.479 473 A N 0.439 123.258 122.820 -0.000 0.000 1.835 473 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 473 A C 2.346 179.947 177.584 0.029 0.000 1.199 473 A CA 2.502 54.496 52.037 -0.072 0.000 0.615 473 A CB -1.651 17.324 19.000 -0.041 0.000 0.838 473 A HN 0.523 nan 8.150 nan 0.000 0.444 474 S N 0.611 116.312 115.700 0.001 0.000 2.484 474 S HA -0.192 4.278 4.470 -0.000 0.000 0.250 474 S C 1.086 175.662 174.600 -0.041 0.000 0.995 474 S CA 1.420 59.610 58.200 -0.016 0.000 0.967 474 S CB -0.779 62.410 63.200 -0.019 0.000 0.752 474 S HN 0.606 nan 8.310 nan 0.000 0.517 475 N N 0.525 119.179 118.700 -0.077 0.000 2.398 475 N HA 0.256 4.996 4.740 -0.000 0.000 0.188 475 N C -0.639 174.610 175.510 -0.435 0.000 1.122 475 N CA 0.323 53.219 53.050 -0.255 0.000 0.866 475 N CB -0.087 38.184 38.487 -0.361 0.000 0.970 475 N HN 0.437 nan 8.380 nan 0.000 0.462 476 F N 0.349 120.185 119.950 -0.191 0.000 2.523 476 F HA 0.323 4.850 4.527 -0.000 0.000 0.329 476 F C 1.131 176.844 175.800 -0.145 0.000 1.061 476 F CA -1.307 56.592 58.000 -0.168 0.000 0.967 476 F CB 0.851 39.728 39.000 -0.204 0.000 1.218 476 F HN -0.236 nan 8.300 nan 0.000 0.480 477 S N 1.297 117.044 115.700 0.079 0.000 2.600 477 S HA 0.525 4.994 4.470 -0.000 0.000 0.265 477 S C -0.896 173.653 174.600 -0.086 0.000 1.325 477 S CA -0.517 57.675 58.200 -0.013 0.000 1.002 477 S CB 1.227 64.424 63.200 -0.005 0.000 0.921 477 S HN 0.620 nan 8.310 nan 0.000 0.554 478 L N 1.820 122.952 121.223 -0.151 0.000 2.529 478 L HA 0.547 4.887 4.340 -0.000 0.000 0.260 478 L C -2.709 174.021 176.870 -0.232 0.000 0.997 478 L CA -1.603 53.049 54.840 -0.312 0.000 0.885 478 L CB 0.689 42.546 42.059 -0.336 0.000 1.185 478 L HN 0.561 nan 8.230 nan 0.000 0.442 479 P HA 0.556 nan 4.420 nan 0.000 0.269 479 P C 0.158 177.430 177.300 -0.046 0.000 1.205 479 P CA 0.647 63.705 63.100 -0.069 0.000 0.780 479 P CB 0.490 32.192 31.700 0.004 0.000 0.858 480 G N -1.001 107.800 108.800 0.003 0.000 2.316 480 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.349 480 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.349 480 G C -0.978 173.943 174.900 0.036 0.000 1.274 480 G CA -0.890 44.229 45.100 0.032 0.000 1.018 480 G HN 0.525 nan 8.290 nan 0.000 0.486 481 L N 0.499 121.765 121.223 0.071 0.000 2.464 481 L HA 0.354 4.694 4.340 -0.000 0.000 0.224 481 L C -1.422 175.483 176.870 0.058 0.000 1.219 481 L CA -1.413 53.470 54.840 0.072 0.000 0.831 481 L CB 0.276 42.411 42.059 0.127 0.000 1.284 481 L HN 0.311 nan 8.230 nan 0.000 0.522 482 P HA -0.031 nan 4.420 nan 0.000 0.238 482 P C -0.912 176.424 177.300 0.061 0.000 1.649 482 P CA 0.436 63.555 63.100 0.032 0.000 0.960 482 P CB -0.399 31.308 31.700 0.011 0.000 1.911 483 D N 0.865 121.303 120.400 0.063 0.000 4.161 483 D HA -0.217 4.423 4.640 -0.000 0.000 0.246 483 D C -1.146 175.249 176.300 0.158 0.000 1.064 483 D CA 0.745 54.781 54.000 0.061 0.000 1.187 483 D CB -1.154 39.666 40.800 0.032 0.000 0.871 483 D HN 0.206 nan 8.370 nan 0.000 0.413 484 F N 0.000 119.914 119.950 -0.060 0.000 2.286 484 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 484 F CA 0.000 57.952 58.000 -0.081 0.000 1.383 484 F CB 0.000 38.972 39.000 -0.046 0.000 1.145 484 F HN 0.000 nan 8.300 nan 0.000 0.574