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 2dji_1_A DATA FIRST_RESID 3 DATA SEQUENCE DNKINIGLAV MKILESWGAD TIYGIPSGTL SSLMDAMGEE ENNVKFLQVK DATA SEQUENCE HEEVGAMAAV MQSKFGGNLG VTVGSGGPGA SHLINGLYDA AMDNIPVVAI DATA SEQUENCE LGSRPQRELN MDAFQELNQN PMYDHIAVYN RRVAYAEQLP KLVDEAARMA DATA SEQUENCE IAKRGVAVLE VPGDFAKVEI DNDQWYSSAN SLRKYAPIAP AAQDIDAAVE DATA SEQUENCE LLNNSKRPVI YAGIGTMGHG PAVQELARKI KAPVITTGKN FETFEWDFEA DATA SEQUENCE LTGSTYRVGW KPANETILEA DTVLFAGSNF PFSEVEGTFR NVDNFIQIDI DATA SEQUENCE DPAMLGKRHH ADVAILGDAA LAIDEILNKV DAVEESAWWT ANLKNIANWR DATA SEQUENCE EYINMLETKE EGDLQFYQVY NAINNHADED AIYSIDVGNS TQTSIRHLHM DATA SEQUENCE TPKNMWRTSP LFATMGIAIP GGLGAKNTYP DRQVWNIIGD GAFSMTYPDV DATA SEQUENCE VTNVRYNMPV INVVFSNTEY AFIKNKYEDT NKNLFGVDFT DVDYAKIAEA DATA SEQUENCE QGAKGFTVSR IEDMDRVMAE AVAANKAGHT VVIDCKITQD RPIPVETLKL DATA SEQUENCE DSKLYSEDEI KAYKERYEAA NLVPFREYLE AEGLESKYIK 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.324 176.300 0.040 0.000 2.045 3 D CA 0.000 54.020 54.000 0.034 0.000 0.868 3 D CB 0.000 40.810 40.800 0.016 0.000 0.688 4 N N -1.457 117.276 118.700 0.056 0.000 3.569 4 N HA 0.157 4.897 4.740 -0.000 0.000 0.348 4 N C -1.991 173.562 175.510 0.071 0.000 1.002 4 N CA -0.144 52.937 53.050 0.053 0.000 0.847 4 N CB 0.011 38.525 38.487 0.045 0.000 3.501 4 N HN 0.299 nan 8.380 nan 0.000 0.796 5 K N 1.061 121.502 120.400 0.069 0.000 2.267 5 K HA 0.755 5.075 4.320 -0.000 0.000 0.246 5 K C -1.038 175.611 176.600 0.082 0.000 0.954 5 K CA -0.479 55.853 56.287 0.076 0.000 0.824 5 K CB 1.929 34.461 32.500 0.052 0.000 1.167 5 K HN 0.534 nan 8.250 nan 0.000 0.431 6 I N 0.760 121.381 120.570 0.085 0.000 2.802 6 I HA 0.325 4.495 4.170 -0.000 0.000 0.298 6 I C -1.198 174.920 176.117 0.002 0.000 1.176 6 I CA -0.911 60.420 61.300 0.052 0.000 1.025 6 I CB 2.061 40.113 38.000 0.087 0.000 1.243 6 I HN 0.886 nan 8.210 nan 0.000 0.424 7 N N 6.180 124.864 118.700 -0.027 0.000 2.513 7 N HA 0.123 4.863 4.740 -0.000 0.000 0.268 7 N C 0.864 176.320 175.510 -0.090 0.000 1.180 7 N CA 0.042 53.068 53.050 -0.040 0.000 0.948 7 N CB 1.175 39.641 38.487 -0.036 0.000 1.083 7 N HN 0.687 nan 8.380 nan 0.000 0.455 8 I N 2.815 123.343 120.570 -0.070 0.000 2.286 8 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 8 I C 2.288 178.329 176.117 -0.126 0.000 1.115 8 I CA 1.289 62.528 61.300 -0.102 0.000 1.392 8 I CB -0.461 37.512 38.000 -0.045 0.000 1.065 8 I HN 0.740 nan 8.210 nan 0.000 0.418 9 G N 0.991 109.742 108.800 -0.082 0.000 2.442 9 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 9 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 9 G C 1.634 176.461 174.900 -0.123 0.000 1.141 9 G CA 0.591 45.642 45.100 -0.082 0.000 0.763 9 G HN 0.272 nan 8.290 nan 0.000 0.554 10 L N 1.251 122.391 121.223 -0.138 0.000 2.093 10 L HA 0.250 4.590 4.340 -0.000 0.000 0.208 10 L C 2.999 179.693 176.870 -0.293 0.000 1.085 10 L CA 1.935 56.678 54.840 -0.161 0.000 0.755 10 L CB -0.679 41.308 42.059 -0.120 0.000 0.904 10 L HN 0.219 nan 8.230 nan 0.000 0.435 11 A N -1.133 121.417 122.820 -0.451 0.000 1.902 11 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 11 A C 2.270 179.489 177.584 -0.608 0.000 1.181 11 A CA 1.887 53.379 52.037 -0.908 0.000 0.623 11 A CB -1.066 17.266 19.000 -1.112 0.000 0.818 11 A HN 0.286 nan 8.150 nan 0.000 0.443 12 V N 0.009 119.725 119.914 -0.329 0.000 2.287 12 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 12 V C 2.685 178.704 176.094 -0.126 0.000 1.053 12 V CA 2.078 64.271 62.300 -0.178 0.000 1.027 12 V CB -0.634 31.126 31.823 -0.106 0.000 0.646 12 V HN 0.510 nan 8.190 nan 0.000 0.447 13 M N -0.529 118.994 119.600 -0.127 0.000 2.175 13 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 13 M C 2.109 178.375 176.300 -0.056 0.000 1.063 13 M CA 1.615 56.873 55.300 -0.069 0.000 1.119 13 M CB -1.140 31.423 32.600 -0.062 0.000 1.377 13 M HN 0.327 nan 8.290 nan 0.000 0.415 14 K N 0.112 120.435 120.400 -0.127 0.000 2.097 14 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 14 K C 1.984 178.610 176.600 0.042 0.000 1.050 14 K CA 1.014 57.267 56.287 -0.057 0.000 0.938 14 K CB -0.136 32.285 32.500 -0.132 0.000 0.718 14 K HN 0.274 nan 8.250 nan 0.000 0.442 15 I N 1.058 121.635 120.570 0.011 0.000 2.202 15 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 15 I C 2.153 178.430 176.117 0.266 0.000 1.091 15 I CA 1.113 62.527 61.300 0.189 0.000 1.368 15 I CB -0.204 37.893 38.000 0.161 0.000 1.058 15 I HN 0.110 nan 8.210 nan 0.000 0.410 16 L N 0.399 121.713 121.223 0.152 0.000 2.042 16 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 16 L C 2.624 179.594 176.870 0.167 0.000 1.076 16 L CA 1.656 56.591 54.840 0.159 0.000 0.749 16 L CB -0.636 41.464 42.059 0.069 0.000 0.893 16 L HN 0.342 nan 8.230 nan 0.000 0.432 17 E N 0.275 120.538 120.200 0.105 0.000 2.110 17 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 17 E C 2.235 178.883 176.600 0.080 0.000 0.988 17 E CA 1.548 57.995 56.400 0.079 0.000 0.804 17 E CB 0.058 29.787 29.700 0.050 0.000 0.745 17 E HN 0.516 nan 8.360 nan 0.000 0.458 18 S N -0.608 115.141 115.700 0.082 0.000 2.419 18 S HA -0.155 4.315 4.470 -0.000 0.000 0.233 18 S C 1.407 175.948 174.600 -0.099 0.000 1.016 18 S CA 0.810 58.998 58.200 -0.021 0.000 0.974 18 S CB -0.687 62.483 63.200 -0.050 0.000 0.786 18 S HN 0.483 nan 8.310 nan 0.000 0.492 19 W N 1.693 123.007 121.300 0.024 0.000 3.256 19 W HA 0.460 5.121 4.660 0.000 0.000 0.269 19 W C 1.737 178.260 176.519 0.008 0.000 1.310 19 W CA 0.229 57.581 57.345 0.012 0.000 1.673 19 W CB -0.165 29.296 29.460 0.002 0.000 1.115 19 W HN 0.516 nan 8.180 nan 0.000 0.686 20 G N 0.136 109.038 108.800 0.171 0.000 2.176 20 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.253 20 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.253 20 G C 0.458 175.420 174.900 0.104 0.000 0.979 20 G CA -0.144 45.022 45.100 0.109 0.000 0.641 20 G HN 0.479 nan 8.290 nan 0.000 0.530 21 A N 1.037 123.936 122.820 0.132 0.000 3.037 21 A HA 0.561 4.881 4.320 -0.000 0.000 0.272 21 A C 1.105 178.726 177.584 0.061 0.000 1.723 21 A CA 0.828 52.921 52.037 0.092 0.000 1.413 21 A CB -0.401 18.653 19.000 0.091 0.000 1.112 21 A HN 0.660 nan 8.150 nan 0.000 0.606 22 D N -0.191 120.231 120.400 0.036 0.000 2.328 22 D HA 0.062 4.702 4.640 -0.000 0.000 0.226 22 D C 0.052 176.334 176.300 -0.031 0.000 1.066 22 D CA 0.419 54.424 54.000 0.008 0.000 0.861 22 D CB 0.121 40.921 40.800 -0.000 0.000 0.912 22 D HN 0.176 nan 8.370 nan 0.000 0.521 23 T N 0.560 115.090 114.554 -0.040 0.000 2.937 23 T HA 0.447 4.797 4.350 -0.000 0.000 0.297 23 T C -0.373 174.248 174.700 -0.131 0.000 0.991 23 T CA -0.572 61.432 62.100 -0.160 0.000 0.990 23 T CB 1.465 70.180 68.868 -0.255 0.000 0.991 23 T HN 0.033 nan 8.240 nan 0.000 0.440 24 I N 3.447 123.925 120.570 -0.153 0.000 2.378 24 I HA 0.425 4.595 4.170 -0.000 0.000 0.291 24 I C -0.977 175.022 176.117 -0.198 0.000 0.992 24 I CA -0.966 60.336 61.300 0.002 0.000 1.154 24 I CB 1.211 39.319 38.000 0.180 0.000 1.315 24 I HN 0.574 nan 8.210 nan 0.000 0.448 25 Y N 4.212 124.455 120.300 -0.094 0.000 2.360 25 Y HA 0.784 5.335 4.550 0.000 0.000 0.337 25 Y C 0.788 176.635 175.900 -0.088 0.000 1.039 25 Y CA -0.278 57.694 58.100 -0.214 0.000 1.109 25 Y CB 1.908 40.281 38.460 -0.146 0.000 1.201 25 Y HN 0.731 nan 8.280 nan 0.000 0.458 26 G N 1.689 110.472 108.800 -0.029 0.000 2.367 26 G HA2 0.358 4.318 3.960 -0.000 0.000 0.272 26 G HA3 0.358 4.318 3.960 -0.000 0.000 0.272 26 G C -2.018 173.042 174.900 0.267 0.000 1.271 26 G CA -0.940 44.269 45.100 0.182 0.000 0.893 26 G HN 0.453 nan 8.290 nan 0.000 0.485 27 I N 2.130 122.931 120.570 0.384 0.000 2.569 27 I HA 0.394 4.563 4.170 -0.000 0.000 0.290 27 I C -2.178 174.101 176.117 0.269 0.000 1.088 27 I CA -1.997 59.514 61.300 0.351 0.000 1.047 27 I CB 2.838 40.944 38.000 0.177 0.000 1.237 27 I HN 0.319 nan 8.210 nan 0.000 0.421 28 P HA 0.121 nan 4.420 nan 0.000 0.269 28 P C -0.674 176.631 177.300 0.009 0.000 1.209 28 P CA 0.077 63.165 63.100 -0.019 0.000 0.776 28 P CB 1.643 33.310 31.700 -0.054 0.000 0.876 29 S N 0.528 116.214 115.700 -0.024 0.000 2.587 29 S HA 0.522 4.992 4.470 -0.000 0.000 0.269 29 S C 1.283 175.870 174.600 -0.021 0.000 1.154 29 S CA -0.052 58.144 58.200 -0.006 0.000 0.824 29 S CB 0.678 63.882 63.200 0.007 0.000 1.118 29 S HN 0.471 nan 8.310 nan 0.000 0.462 30 G N 1.083 109.879 108.800 -0.006 0.000 2.440 30 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.218 30 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.218 30 G C 1.286 176.173 174.900 -0.022 0.000 1.154 30 G CA 1.717 46.811 45.100 -0.009 0.000 0.767 30 G HN 1.237 nan 8.290 nan 0.000 0.552 31 T N -1.430 113.109 114.554 -0.025 0.000 3.215 31 T HA 0.317 4.667 4.350 -0.000 0.000 0.254 31 T C 1.644 176.314 174.700 -0.050 0.000 1.149 31 T CA 0.495 62.568 62.100 -0.044 0.000 1.042 31 T CB -0.027 68.811 68.868 -0.051 0.000 0.966 31 T HN 0.222 nan 8.240 nan 0.000 0.534 32 L N 0.285 121.480 121.223 -0.047 0.000 3.174 32 L HA 0.220 4.560 4.340 -0.000 0.000 0.283 32 L C 2.476 179.298 176.870 -0.079 0.000 1.187 32 L CA 0.425 55.231 54.840 -0.056 0.000 1.018 32 L CB 0.123 42.153 42.059 -0.048 0.000 1.433 32 L HN 0.285 nan 8.230 nan 0.000 0.593 33 S N -0.500 115.156 115.700 -0.073 0.000 2.374 33 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 33 S C 1.994 176.551 174.600 -0.072 0.000 1.037 33 S CA 1.791 59.943 58.200 -0.082 0.000 1.024 33 S CB -0.444 62.721 63.200 -0.058 0.000 0.861 33 S HN 0.321 nan 8.310 nan 0.000 0.456 34 S N 1.920 117.590 115.700 -0.050 0.000 2.383 34 S HA 0.083 4.553 4.470 -0.000 0.000 0.229 34 S C 1.799 176.373 174.600 -0.044 0.000 1.030 34 S CA 1.345 59.523 58.200 -0.036 0.000 1.002 34 S CB -0.561 62.630 63.200 -0.015 0.000 0.829 34 S HN 0.442 nan 8.310 nan 0.000 0.467 35 L N 0.737 121.930 121.223 -0.051 0.000 2.023 35 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 35 L C 2.505 179.327 176.870 -0.080 0.000 1.073 35 L CA 1.188 55.995 54.840 -0.055 0.000 0.745 35 L CB -0.422 41.609 42.059 -0.046 0.000 0.900 35 L HN 0.350 nan 8.230 nan 0.000 0.435 36 M N -0.671 118.856 119.600 -0.121 0.000 2.202 36 M HA -0.237 4.243 4.480 -0.000 0.000 0.262 36 M C 1.524 177.745 176.300 -0.131 0.000 1.063 36 M CA 1.524 56.716 55.300 -0.180 0.000 1.097 36 M CB -0.641 31.772 32.600 -0.313 0.000 1.382 36 M HN 0.164 nan 8.290 nan 0.000 0.413 37 D N 0.779 121.120 120.400 -0.099 0.000 2.221 37 D HA -0.093 4.547 4.640 -0.000 0.000 0.204 37 D C 1.873 178.140 176.300 -0.055 0.000 0.982 37 D CA 1.362 55.320 54.000 -0.070 0.000 0.857 37 D CB -0.039 40.730 40.800 -0.053 0.000 0.934 37 D HN 0.374 nan 8.370 nan 0.000 0.475 38 A N -0.068 122.717 122.820 -0.058 0.000 2.072 38 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 38 A C 1.109 178.665 177.584 -0.046 0.000 1.156 38 A CA 0.060 52.066 52.037 -0.052 0.000 0.701 38 A CB -0.339 18.624 19.000 -0.062 0.000 0.816 38 A HN 0.134 nan 8.150 nan 0.000 0.458 39 M N 0.283 119.854 119.600 -0.048 0.000 2.261 39 M HA 0.308 4.788 4.480 -0.000 0.000 0.350 39 M C 1.086 177.375 176.300 -0.018 0.000 1.343 39 M CA 1.300 56.582 55.300 -0.030 0.000 1.003 39 M CB -0.445 32.139 32.600 -0.028 0.000 1.848 39 M HN 0.642 nan 8.290 nan 0.000 0.456 40 G N 2.170 110.965 108.800 -0.009 0.000 2.615 40 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.218 40 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.218 40 G C -0.854 174.042 174.900 -0.008 0.000 1.339 40 G CA -0.383 44.715 45.100 -0.003 0.000 0.884 40 G HN 0.823 nan 8.290 nan 0.000 0.559 41 E N -0.520 119.678 120.200 -0.004 0.000 8.052 41 E HA -0.064 4.286 4.350 -0.000 0.000 0.466 41 E C 0.712 177.312 176.600 -0.000 0.000 0.765 41 E CA 1.738 58.136 56.400 -0.003 0.000 1.332 41 E CB -0.479 29.215 29.700 -0.010 0.000 0.986 41 E HN 1.546 nan 8.360 nan 0.000 0.275 42 E N 1.494 121.697 120.200 0.006 0.000 2.539 42 E HA -0.364 3.986 4.350 -0.000 0.000 0.253 42 E C -0.228 176.381 176.600 0.016 0.000 1.145 42 E CA 1.090 57.498 56.400 0.013 0.000 0.738 42 E CB -1.228 28.481 29.700 0.016 0.000 1.308 42 E HN 0.682 nan 8.360 nan 0.000 0.409 43 E N -2.456 117.752 120.200 0.012 0.000 3.170 43 E HA -0.275 4.075 4.350 -0.000 0.000 0.284 43 E C 0.154 176.762 176.600 0.013 0.000 0.967 43 E CA 0.846 57.253 56.400 0.013 0.000 0.919 43 E CB -1.368 28.342 29.700 0.017 0.000 1.469 43 E HN 0.502 nan 8.360 nan 0.000 0.444 44 N N 1.155 119.861 118.700 0.009 0.000 2.454 44 N HA -0.010 4.730 4.740 -0.000 0.000 0.254 44 N C 0.331 175.845 175.510 0.008 0.000 1.228 44 N CA 0.398 53.453 53.050 0.007 0.000 0.900 44 N CB 0.478 38.962 38.487 -0.005 0.000 1.089 44 N HN 0.113 nan 8.380 nan 0.000 0.449 45 N N 2.575 121.281 118.700 0.010 0.000 2.273 45 N HA 0.085 4.825 4.740 -0.000 0.000 0.231 45 N C -1.158 174.355 175.510 0.004 0.000 1.134 45 N CA -0.103 52.951 53.050 0.007 0.000 0.856 45 N CB 0.299 38.790 38.487 0.007 0.000 1.068 45 N HN 0.238 nan 8.380 nan 0.000 0.510 46 V N 1.786 121.704 119.914 0.007 0.000 2.455 46 V HA 0.168 4.288 4.120 -0.000 0.000 0.273 46 V C 0.480 176.580 176.094 0.010 0.000 1.045 46 V CA -0.033 62.271 62.300 0.007 0.000 0.976 46 V CB 0.880 32.711 31.823 0.013 0.000 0.993 46 V HN 0.017 nan 8.190 nan 0.000 0.475 47 K N 3.845 124.239 120.400 -0.010 0.000 2.166 47 K HA 0.570 4.890 4.320 -0.000 0.000 0.245 47 K C -1.051 175.551 176.600 0.004 0.000 0.967 47 K CA -0.652 55.633 56.287 -0.004 0.000 0.863 47 K CB 2.089 34.559 32.500 -0.050 0.000 1.107 47 K HN 0.505 nan 8.250 nan 0.000 0.436 48 F N 2.664 122.538 119.950 -0.128 0.000 2.444 48 F HA 0.388 4.915 4.527 -0.000 0.000 0.342 48 F C -1.112 174.540 175.800 -0.248 0.000 1.121 48 F CA -0.970 56.936 58.000 -0.156 0.000 0.997 48 F CB 0.699 39.663 39.000 -0.060 0.000 1.130 48 F HN 0.278 nan 8.300 nan 0.000 0.454 49 L N 7.070 127.633 121.223 -1.100 0.000 2.295 49 L HA 0.399 4.739 4.340 -0.000 0.000 0.281 49 L C -0.544 175.645 176.870 -1.133 0.000 1.018 49 L CA -0.465 53.651 54.840 -1.206 0.000 0.841 49 L CB 0.917 42.266 42.059 -1.184 0.000 1.218 49 L HN 0.684 nan 8.230 nan 0.000 0.424 50 Q N 3.808 123.198 119.800 -0.683 0.000 2.295 50 Q HA 0.389 4.729 4.340 -0.000 0.000 0.259 50 Q C -0.596 175.406 176.000 0.003 0.000 0.976 50 Q CA -0.541 55.101 55.803 -0.268 0.000 0.923 50 Q CB 1.317 30.176 28.738 0.201 0.000 1.185 50 Q HN 0.617 nan 8.270 nan 0.000 0.410 51 V N 1.701 121.613 119.914 -0.003 0.000 3.302 51 V HA 0.458 4.578 4.120 -0.000 0.000 0.316 51 V C 0.402 176.548 176.094 0.087 0.000 1.111 51 V CA -0.668 61.670 62.300 0.063 0.000 1.029 51 V CB 1.617 33.478 31.823 0.062 0.000 1.170 51 V HN 0.705 nan 8.190 nan 0.000 0.452 52 K N -0.740 119.710 120.400 0.084 0.000 2.284 52 K HA 0.224 4.544 4.320 -0.000 0.000 0.198 52 K C 0.386 177.041 176.600 0.091 0.000 1.048 52 K CA 0.879 57.213 56.287 0.078 0.000 0.987 52 K CB -0.155 32.381 32.500 0.060 0.000 0.800 52 K HN 0.866 nan 8.250 nan 0.000 0.486 53 H N 0.559 119.620 119.070 -0.016 0.000 2.782 53 H HA 0.185 4.741 4.556 -0.000 0.000 0.347 53 H C -0.113 175.193 175.328 -0.036 0.000 1.038 53 H CA -0.075 55.936 56.048 -0.061 0.000 1.255 53 H CB 1.682 31.351 29.762 -0.155 0.000 1.623 53 H HN -0.161 nan 8.280 nan 0.000 0.525 54 E N 2.319 122.550 120.200 0.052 0.000 2.219 54 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 54 E C 1.778 178.486 176.600 0.180 0.000 0.998 54 E CA 1.604 58.087 56.400 0.139 0.000 0.818 54 E CB 0.175 29.971 29.700 0.160 0.000 0.741 54 E HN 0.799 nan 8.360 nan 0.000 0.477 55 E N 0.403 120.788 120.200 0.307 0.000 2.150 55 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 55 E C 1.812 178.430 176.600 0.029 0.000 0.985 55 E CA 1.222 57.700 56.400 0.130 0.000 0.814 55 E CB -0.152 29.557 29.700 0.015 0.000 0.752 55 E HN 0.122 nan 8.360 nan 0.000 0.466 56 V N 1.423 121.354 119.914 0.028 0.000 2.515 56 V HA -0.121 3.999 4.120 -0.000 0.000 0.250 56 V C 2.453 178.526 176.094 -0.035 0.000 1.058 56 V CA 1.780 64.069 62.300 -0.018 0.000 1.064 56 V CB -0.643 31.178 31.823 -0.004 0.000 0.675 56 V HN 0.558 nan 8.190 nan 0.000 0.461 57 G N -0.301 108.506 108.800 0.012 0.000 2.402 57 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 57 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 57 G C 1.770 176.602 174.900 -0.113 0.000 1.162 57 G CA 0.981 46.082 45.100 0.002 0.000 0.777 57 G HN 0.579 nan 8.290 nan 0.000 0.539 58 A N 0.671 123.458 122.820 -0.055 0.000 1.873 58 A HA 0.061 4.381 4.320 -0.000 0.000 0.215 58 A C 2.462 179.961 177.584 -0.143 0.000 1.186 58 A CA 1.756 53.741 52.037 -0.086 0.000 0.616 58 A CB -0.373 18.602 19.000 -0.041 0.000 0.823 58 A HN 0.362 nan 8.150 nan 0.000 0.442 59 M N -0.583 118.949 119.600 -0.114 0.000 2.159 59 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 59 M C 2.488 178.678 176.300 -0.182 0.000 1.063 59 M CA 1.345 56.579 55.300 -0.110 0.000 1.110 59 M CB -0.380 32.184 32.600 -0.059 0.000 1.374 59 M HN 0.507 nan 8.290 nan 0.000 0.411 60 A N 0.303 122.942 122.820 -0.302 0.000 1.898 60 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 60 A C 2.354 179.512 177.584 -0.711 0.000 1.181 60 A CA 1.722 53.470 52.037 -0.482 0.000 0.620 60 A CB -0.840 17.775 19.000 -0.641 0.000 0.819 60 A HN 0.481 nan 8.150 nan 0.000 0.442 61 A N -0.571 121.755 122.820 -0.823 0.000 1.933 61 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 61 A C 2.206 179.660 177.584 -0.216 0.000 1.175 61 A CA 1.833 53.564 52.037 -0.510 0.000 0.628 61 A CB -0.738 18.115 19.000 -0.244 0.000 0.814 61 A HN 0.364 nan 8.150 nan 0.000 0.444 62 V N -0.304 119.496 119.914 -0.190 0.000 2.346 62 V HA -0.207 3.913 4.120 -0.000 0.000 0.244 62 V C 2.584 178.623 176.094 -0.092 0.000 1.037 62 V CA 1.731 63.961 62.300 -0.117 0.000 1.029 62 V CB -0.609 31.150 31.823 -0.108 0.000 0.663 62 V HN 0.479 nan 8.190 nan 0.000 0.454 63 M N -0.189 119.357 119.600 -0.091 0.000 2.279 63 M HA -0.206 4.274 4.480 -0.000 0.000 0.264 63 M C 2.192 178.537 176.300 0.076 0.000 1.062 63 M CA 1.493 56.761 55.300 -0.053 0.000 1.099 63 M CB -1.208 31.412 32.600 0.034 0.000 1.394 63 M HN 0.510 nan 8.290 nan 0.000 0.426 64 Q N -0.011 119.825 119.800 0.061 0.000 2.061 64 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 64 Q C 1.979 178.055 176.000 0.126 0.000 0.984 64 Q CA 2.216 58.097 55.803 0.132 0.000 0.846 64 Q CB 0.144 28.929 28.738 0.077 0.000 0.902 64 Q HN 0.410 nan 8.270 nan 0.000 0.421 65 S N 0.212 115.941 115.700 0.049 0.000 2.387 65 S HA -0.059 4.411 4.470 -0.000 0.000 0.226 65 S C 1.641 176.260 174.600 0.031 0.000 1.026 65 S CA 0.981 59.206 58.200 0.042 0.000 0.972 65 S CB -0.022 63.183 63.200 0.008 0.000 0.814 65 S HN 0.341 nan 8.310 nan 0.000 0.477 66 K N 0.350 120.722 120.400 -0.047 0.000 2.152 66 K HA -0.049 4.271 4.320 -0.000 0.000 0.206 66 K C 0.815 177.335 176.600 -0.133 0.000 1.048 66 K CA 1.074 57.274 56.287 -0.146 0.000 0.933 66 K CB -0.257 32.054 32.500 -0.315 0.000 0.721 66 K HN 0.323 nan 8.250 nan 0.000 0.447 67 F N 0.269 120.288 119.950 0.115 0.000 2.731 67 F HA 0.155 4.682 4.527 0.000 0.000 0.304 67 F C 1.338 177.285 175.800 0.246 0.000 1.133 67 F CA 0.342 58.453 58.000 0.186 0.000 1.380 67 F CB 0.158 39.297 39.000 0.231 0.000 1.079 67 F HN 0.198 nan 8.300 nan 0.000 0.550 68 G N 0.038 109.010 108.800 0.286 0.000 2.136 68 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.242 68 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.242 68 G C 0.783 175.789 174.900 0.176 0.000 0.989 68 G CA -0.116 45.125 45.100 0.234 0.000 0.682 68 G HN 0.764 nan 8.290 nan 0.000 0.522 69 G N -0.618 108.263 108.800 0.135 0.000 2.510 69 G HA2 0.540 4.500 3.960 -0.000 0.000 0.280 69 G HA3 0.540 4.500 3.960 -0.000 0.000 0.280 69 G C 0.243 175.169 174.900 0.042 0.000 1.386 69 G CA -0.193 44.924 45.100 0.029 0.000 1.047 69 G HN 0.516 nan 8.290 nan 0.000 0.527 70 N N -1.428 117.288 118.700 0.027 0.000 2.347 70 N HA 0.256 4.996 4.740 -0.000 0.000 0.253 70 N C -0.159 175.387 175.510 0.059 0.000 1.274 70 N CA -0.798 52.281 53.050 0.048 0.000 0.941 70 N CB 0.821 39.333 38.487 0.042 0.000 1.200 70 N HN 0.315 nan 8.380 nan 0.000 0.514 71 L N 0.998 122.261 121.223 0.067 0.000 2.513 71 L HA 0.194 4.534 4.340 -0.000 0.000 0.272 71 L C 0.444 177.346 176.870 0.053 0.000 1.187 71 L CA 0.463 55.331 54.840 0.047 0.000 0.895 71 L CB -0.376 41.709 42.059 0.043 0.000 1.147 71 L HN 0.519 nan 8.230 nan 0.000 0.483 72 G N 4.595 113.419 108.800 0.040 0.000 2.425 72 G HA2 0.569 4.529 3.960 -0.000 0.000 0.302 72 G HA3 0.569 4.529 3.960 -0.000 0.000 0.302 72 G C -1.284 173.651 174.900 0.058 0.000 1.159 72 G CA -0.536 44.611 45.100 0.078 0.000 0.865 72 G HN 0.605 nan 8.290 nan 0.000 0.515 73 V N 0.355 120.343 119.914 0.123 0.000 2.588 73 V HA 0.670 4.790 4.120 -0.000 0.000 0.304 73 V C 0.039 176.222 176.094 0.148 0.000 1.042 73 V CA -0.656 61.698 62.300 0.090 0.000 0.877 73 V CB 1.834 33.702 31.823 0.075 0.000 0.996 73 V HN 0.897 nan 8.190 nan 0.000 0.425 74 T N 3.925 118.531 114.554 0.087 0.000 2.876 74 T HA 0.754 5.104 4.350 -0.000 0.000 0.289 74 T C -0.957 173.798 174.700 0.092 0.000 1.014 74 T CA -0.405 61.757 62.100 0.104 0.000 0.986 74 T CB 1.551 70.436 68.868 0.029 0.000 1.021 74 T HN 0.919 nan 8.240 nan 0.000 0.458 75 V N 1.582 121.576 119.914 0.133 0.000 2.769 75 V HA 1.054 5.174 4.120 -0.000 0.000 0.312 75 V C 0.039 176.203 176.094 0.117 0.000 1.061 75 V CA -0.668 61.703 62.300 0.118 0.000 0.931 75 V CB 1.577 33.484 31.823 0.140 0.000 1.010 75 V HN 1.164 nan 8.190 nan 0.000 0.433 76 G N 1.873 110.727 108.800 0.091 0.000 2.707 76 G HA2 0.587 4.547 3.960 -0.000 0.000 0.299 76 G HA3 0.587 4.547 3.960 -0.000 0.000 0.299 76 G C -0.306 174.625 174.900 0.052 0.000 1.442 76 G CA -0.050 45.103 45.100 0.088 0.000 1.009 76 G HN 1.469 nan 8.290 nan 0.000 0.515 77 S N 1.242 116.962 115.700 0.034 0.000 2.573 77 S HA 0.469 4.939 4.470 -0.000 0.000 0.277 77 S C 1.067 175.650 174.600 -0.028 0.000 1.346 77 S CA 0.144 58.343 58.200 -0.001 0.000 1.034 77 S CB 1.050 64.247 63.200 -0.005 0.000 0.879 77 S HN 1.492 nan 8.310 nan 0.000 0.528 78 G N 1.224 109.993 108.800 -0.052 0.000 2.178 78 G HA2 0.449 4.409 3.960 -0.000 0.000 0.244 78 G HA3 0.449 4.409 3.960 -0.000 0.000 0.244 78 G C 1.014 175.848 174.900 -0.110 0.000 1.213 78 G CA -0.017 45.035 45.100 -0.080 0.000 0.912 78 G HN 1.913 nan 8.290 nan 0.000 0.474 79 G N 3.993 112.730 108.800 -0.105 0.000 2.833 79 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.260 79 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.260 79 G C -0.404 174.420 174.900 -0.127 0.000 1.412 79 G CA 0.454 45.475 45.100 -0.131 0.000 0.986 79 G HN 0.762 nan 8.290 nan 0.000 0.556 80 P HA -0.008 nan 4.420 nan 0.000 0.218 80 P C 1.934 179.072 177.300 -0.269 0.000 1.149 80 P CA 2.685 65.633 63.100 -0.254 0.000 0.817 80 P CB -0.652 30.887 31.700 -0.268 0.000 0.785 81 G N 0.561 109.287 108.800 -0.123 0.000 2.402 81 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 81 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 81 G C 1.853 176.790 174.900 0.062 0.000 1.162 81 G CA 0.992 46.084 45.100 -0.014 0.000 0.777 81 G HN 0.349 nan 8.290 nan 0.000 0.539 82 A N 1.408 124.256 122.820 0.046 0.000 1.877 82 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 82 A C 2.737 180.447 177.584 0.211 0.000 1.186 82 A CA 2.630 54.744 52.037 0.127 0.000 0.620 82 A CB -0.780 18.270 19.000 0.084 0.000 0.822 82 A HN 0.719 nan 8.150 nan 0.000 0.443 83 S N -1.049 114.707 115.700 0.095 0.000 2.423 83 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 83 S C 1.616 176.367 174.600 0.252 0.000 1.014 83 S CA 1.241 59.514 58.200 0.122 0.000 0.965 83 S CB -0.941 62.252 63.200 -0.012 0.000 0.785 83 S HN 0.761 nan 8.310 nan 0.000 0.495 84 H N 0.886 120.033 119.070 0.128 0.000 2.521 84 H HA 0.191 4.747 4.556 -0.000 0.000 0.286 84 H C 1.477 176.915 175.328 0.183 0.000 1.034 84 H CA 0.886 57.026 56.048 0.153 0.000 1.278 84 H CB -0.125 29.669 29.762 0.053 0.000 1.386 84 H HN 0.379 nan 8.280 nan 0.000 0.567 85 L N 0.071 121.470 121.223 0.292 0.000 2.478 85 L HA -0.080 4.260 4.340 -0.000 0.000 0.223 85 L C 2.293 179.237 176.870 0.123 0.000 1.140 85 L CA 0.166 55.101 54.840 0.158 0.000 0.842 85 L CB -0.152 41.944 42.059 0.062 0.000 0.953 85 L HN 0.342 nan 8.230 nan 0.000 0.452 86 I N 1.071 121.815 120.570 0.290 0.000 2.113 86 I HA -0.424 3.746 4.170 -0.000 0.000 0.242 86 I C 2.096 178.339 176.117 0.210 0.000 1.057 86 I CA 1.952 63.457 61.300 0.342 0.000 1.314 86 I CB 0.049 38.287 38.000 0.396 0.000 1.022 86 I HN 0.392 nan 8.210 nan 0.000 0.408 87 N N 0.769 119.578 118.700 0.182 0.000 2.223 87 N HA -0.115 4.624 4.740 -0.000 0.000 0.185 87 N C 1.674 177.260 175.510 0.127 0.000 1.016 87 N CA 1.390 54.577 53.050 0.229 0.000 0.863 87 N CB -0.563 38.062 38.487 0.230 0.000 0.983 87 N HN 0.552 nan 8.380 nan 0.000 0.429 88 G N 0.272 109.102 108.800 0.051 0.000 2.403 88 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.216 88 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.216 88 G C 1.400 176.248 174.900 -0.087 0.000 1.154 88 G CA 0.263 45.353 45.100 -0.016 0.000 0.784 88 G HN 0.198 nan 8.290 nan 0.000 0.538 89 L N -1.213 119.931 121.223 -0.131 0.000 2.109 89 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 89 L C 2.610 179.324 176.870 -0.259 0.000 1.086 89 L CA 0.771 55.467 54.840 -0.240 0.000 0.760 89 L CB -0.480 41.307 42.059 -0.453 0.000 0.910 89 L HN 0.158 nan 8.230 nan 0.000 0.437 90 Y N 0.574 120.632 120.300 -0.403 0.000 2.242 90 Y HA -0.301 4.249 4.550 -0.000 0.000 0.291 90 Y C 2.454 177.958 175.900 -0.660 0.000 1.137 90 Y CA 1.833 59.538 58.100 -0.659 0.000 1.181 90 Y CB -0.107 37.606 38.460 -1.246 0.000 0.989 90 Y HN 0.265 nan 8.280 nan 0.000 0.527 91 D N -0.445 119.753 120.400 -0.337 0.000 2.097 91 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 91 D C 2.192 178.444 176.300 -0.080 0.000 0.989 91 D CA 1.413 55.370 54.000 -0.072 0.000 0.827 91 D CB -0.207 40.639 40.800 0.077 0.000 0.966 91 D HN 0.259 nan 8.370 nan 0.000 0.456 92 A N 0.431 123.179 122.820 -0.121 0.000 1.902 92 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 92 A C 2.382 179.888 177.584 -0.129 0.000 1.181 92 A CA 2.138 54.106 52.037 -0.114 0.000 0.623 92 A CB -1.108 17.814 19.000 -0.130 0.000 0.818 92 A HN 0.339 nan 8.150 nan 0.000 0.443 93 A N -0.378 122.325 122.820 -0.195 0.000 1.877 93 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 93 A C 2.265 179.764 177.584 -0.142 0.000 1.186 93 A CA 1.881 53.794 52.037 -0.208 0.000 0.620 93 A CB -0.556 18.240 19.000 -0.340 0.000 0.822 93 A HN 0.525 nan 8.150 nan 0.000 0.443 94 M N -0.914 118.616 119.600 -0.116 0.000 2.296 94 M HA -0.099 4.381 4.480 -0.000 0.000 0.265 94 M C 0.761 177.061 176.300 -0.000 0.000 1.064 94 M CA 1.260 56.543 55.300 -0.029 0.000 1.109 94 M CB -0.376 32.256 32.600 0.053 0.000 1.396 94 M HN 0.232 nan 8.290 nan 0.000 0.430 95 D N 0.267 120.662 120.400 -0.008 0.000 2.339 95 D HA 0.057 4.697 4.640 -0.000 0.000 0.217 95 D C -0.344 175.950 176.300 -0.010 0.000 1.050 95 D CA 0.242 54.247 54.000 0.008 0.000 0.856 95 D CB -0.207 40.599 40.800 0.010 0.000 0.922 95 D HN 0.327 nan 8.370 nan 0.000 0.518 96 N N 0.143 118.823 118.700 -0.033 0.000 2.727 96 N HA -0.149 4.591 4.740 -0.000 0.000 0.251 96 N C -1.005 174.485 175.510 -0.034 0.000 1.040 96 N CA 0.046 53.075 53.050 -0.036 0.000 0.712 96 N CB -0.476 38.001 38.487 -0.017 0.000 0.912 96 N HN 0.156 nan 8.380 nan 0.000 0.545 97 I N 0.808 121.348 120.570 -0.049 0.000 2.354 97 I HA 0.365 4.535 4.170 -0.000 0.000 0.292 97 I C -1.854 174.226 176.117 -0.060 0.000 0.989 97 I CA -2.438 58.834 61.300 -0.047 0.000 1.188 97 I CB 0.862 38.831 38.000 -0.053 0.000 1.342 97 I HN -0.077 nan 8.210 nan 0.000 0.457 98 P HA 0.210 nan 4.420 nan 0.000 0.271 98 P C -0.636 176.621 177.300 -0.072 0.000 1.216 98 P CA 0.017 63.078 63.100 -0.066 0.000 0.771 98 P CB 2.149 33.816 31.700 -0.054 0.000 0.864 99 V N 3.736 123.596 119.914 -0.090 0.000 3.023 99 V HA 0.230 4.350 4.120 -0.000 0.000 0.294 99 V C -1.350 174.687 176.094 -0.094 0.000 1.324 99 V CA -0.711 61.538 62.300 -0.085 0.000 0.979 99 V CB 2.615 34.381 31.823 -0.095 0.000 1.093 99 V HN 0.201 nan 8.190 nan 0.000 0.434 100 V N 5.513 125.381 119.914 -0.077 0.000 2.370 100 V HA 0.867 4.987 4.120 -0.000 0.000 0.283 100 V C 0.436 176.503 176.094 -0.044 0.000 1.023 100 V CA 0.175 62.433 62.300 -0.071 0.000 0.857 100 V CB 1.440 33.214 31.823 -0.081 0.000 0.985 100 V HN 1.222 nan 8.190 nan 0.000 0.443 101 A N 6.780 129.573 122.820 -0.044 0.000 2.287 101 A HA 0.817 5.137 4.320 -0.000 0.000 0.317 101 A C -0.746 176.841 177.584 0.006 0.000 1.220 101 A CA -0.488 51.529 52.037 -0.032 0.000 0.835 101 A CB 0.586 19.528 19.000 -0.097 0.000 1.180 101 A HN 0.601 nan 8.150 nan 0.000 0.500 102 I N 3.850 124.435 120.570 0.025 0.000 2.330 102 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 102 I C -0.423 175.720 176.117 0.043 0.000 1.001 102 I CA -0.310 61.010 61.300 0.033 0.000 1.193 102 I CB 1.039 39.057 38.000 0.030 0.000 1.345 102 I HN 0.525 nan 8.210 nan 0.000 0.461 103 L N 5.912 127.161 121.223 0.043 0.000 2.264 103 L HA 0.518 4.858 4.340 -0.000 0.000 0.289 103 L C 1.013 177.886 176.870 0.004 0.000 1.044 103 L CA -0.559 54.307 54.840 0.044 0.000 0.807 103 L CB 1.240 43.337 42.059 0.064 0.000 1.192 103 L HN 0.622 nan 8.230 nan 0.000 0.425 104 G N 1.595 110.391 108.800 -0.005 0.000 2.606 104 G HA2 0.392 4.352 3.960 -0.000 0.000 0.252 104 G HA3 0.392 4.352 3.960 -0.000 0.000 0.252 104 G C -0.423 174.440 174.900 -0.062 0.000 1.206 104 G CA -0.106 44.972 45.100 -0.037 0.000 0.861 104 G HN 0.544 nan 8.290 nan 0.000 0.561 105 S N -0.912 114.731 115.700 -0.095 0.000 2.565 105 S HA 0.516 4.986 4.470 -0.000 0.000 0.269 105 S C -0.318 174.207 174.600 -0.126 0.000 1.153 105 S CA -0.917 57.215 58.200 -0.113 0.000 0.835 105 S CB 1.197 64.319 63.200 -0.131 0.000 1.122 105 S HN 0.578 nan 8.310 nan 0.000 0.462 106 R N 2.056 122.489 120.500 -0.111 0.000 2.811 106 R HA 0.294 4.634 4.340 -0.000 0.000 0.265 106 R C -2.245 173.978 176.300 -0.129 0.000 1.026 106 R CA -1.501 54.545 56.100 -0.091 0.000 1.142 106 R CB -0.785 29.474 30.300 -0.067 0.000 1.027 106 R HN 0.582 nan 8.270 nan 0.000 0.465 107 P HA -0.061 nan 4.420 nan 0.000 0.270 107 P C 0.348 177.569 177.300 -0.131 0.000 1.223 107 P CA -0.032 62.982 63.100 -0.142 0.000 0.785 107 P CB 0.527 32.187 31.700 -0.068 0.000 0.923 108 Q N 2.493 122.196 119.800 -0.163 0.000 2.118 108 Q HA -0.264 4.076 4.340 -0.000 0.000 0.211 108 Q C 2.191 178.194 176.000 0.004 0.000 0.998 108 Q CA 2.421 58.191 55.803 -0.055 0.000 0.872 108 Q CB -0.174 28.634 28.738 0.117 0.000 0.925 108 Q HN 0.443 nan 8.270 nan 0.000 0.414 109 R N -0.391 120.119 120.500 0.017 0.000 2.200 109 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 109 R C 1.290 177.595 176.300 0.009 0.000 1.127 109 R CA 1.775 57.888 56.100 0.022 0.000 0.989 109 R CB -0.238 30.078 30.300 0.025 0.000 0.869 109 R HN 0.390 nan 8.270 nan 0.000 0.459 110 E N 1.018 121.214 120.200 -0.007 0.000 2.385 110 E HA 0.134 4.484 4.350 -0.000 0.000 0.194 110 E C 0.107 176.698 176.600 -0.015 0.000 1.013 110 E CA -0.246 56.150 56.400 -0.007 0.000 0.866 110 E CB 0.164 29.859 29.700 -0.009 0.000 0.832 110 E HN 0.280 nan 8.360 nan 0.000 0.500 111 L N 2.240 123.449 121.223 -0.023 0.000 2.525 111 L HA -0.039 4.301 4.340 -0.000 0.000 0.278 111 L C 0.531 177.394 176.870 -0.011 0.000 1.218 111 L CA -0.026 54.799 54.840 -0.025 0.000 0.878 111 L CB 0.038 42.083 42.059 -0.023 0.000 1.127 111 L HN 0.229 nan 8.230 nan 0.000 0.492 112 N N 1.623 120.313 118.700 -0.016 0.000 2.936 112 N HA -0.194 4.546 4.740 -0.000 0.000 0.236 112 N C 0.598 176.105 175.510 -0.006 0.000 0.930 112 N CA 1.184 54.228 53.050 -0.010 0.000 0.966 112 N CB -0.540 37.945 38.487 -0.002 0.000 1.090 112 N HN 0.596 nan 8.380 nan 0.000 0.592 113 M N 0.295 119.892 119.600 -0.005 0.000 2.495 113 M HA 0.081 4.561 4.480 -0.000 0.000 0.237 113 M C -0.100 176.201 176.300 0.002 0.000 1.131 113 M CA 0.439 55.739 55.300 0.002 0.000 1.032 113 M CB -0.494 32.110 32.600 0.006 0.000 1.513 113 M HN -0.023 nan 8.290 nan 0.000 0.488 114 D N 1.172 121.569 120.400 -0.005 0.000 2.699 114 D HA -0.126 4.514 4.640 -0.000 0.000 0.239 114 D C 0.205 176.511 176.300 0.010 0.000 1.136 114 D CA 0.812 54.809 54.000 -0.005 0.000 0.668 114 D CB -0.886 39.913 40.800 -0.001 0.000 1.060 114 D HN 0.436 nan 8.370 nan 0.000 0.429 115 A N -0.162 122.664 122.820 0.010 0.000 2.257 115 A HA 0.579 4.899 4.320 -0.000 0.000 0.290 115 A C 0.200 177.822 177.584 0.064 0.000 1.201 115 A CA -0.532 51.533 52.037 0.047 0.000 0.863 115 A CB 0.335 19.360 19.000 0.043 0.000 1.256 115 A HN 0.167 nan 8.150 nan 0.000 0.506 116 F N 0.303 120.240 119.950 -0.023 0.000 2.543 116 F HA 0.260 4.787 4.527 0.000 0.000 0.375 116 F C 1.230 177.012 175.800 -0.030 0.000 1.075 116 F CA 1.096 59.081 58.000 -0.024 0.000 1.225 116 F CB 0.047 39.033 39.000 -0.022 0.000 1.099 116 F HN 0.811 nan 8.300 nan 0.000 0.561 117 Q N 2.364 121.612 119.800 -0.920 0.000 2.437 117 Q HA -0.289 4.051 4.340 -0.000 0.000 0.274 117 Q C -0.766 175.015 176.000 -0.365 0.000 1.165 117 Q CA 1.132 56.475 55.803 -0.765 0.000 0.925 117 Q CB -0.828 27.237 28.738 -1.121 0.000 1.327 117 Q HN 0.750 nan 8.270 nan 0.000 0.505 118 E N 0.950 121.011 120.200 -0.231 0.000 2.158 118 E HA 0.619 4.969 4.350 -0.000 0.000 0.271 118 E C -0.760 175.774 176.600 -0.111 0.000 0.911 118 E CA -0.543 55.776 56.400 -0.135 0.000 0.767 118 E CB 1.040 30.692 29.700 -0.080 0.000 1.120 118 E HN 0.401 nan 8.360 nan 0.000 0.405 119 L N 1.780 122.944 121.223 -0.100 0.000 2.838 119 L HA 0.557 4.897 4.340 -0.000 0.000 0.266 119 L C -1.118 175.708 176.870 -0.073 0.000 1.040 119 L CA -1.255 53.536 54.840 -0.083 0.000 0.906 119 L CB 1.593 43.595 42.059 -0.094 0.000 1.501 119 L HN 0.252 nan 8.230 nan 0.000 0.407 120 N N 1.115 119.777 118.700 -0.062 0.000 2.401 120 N HA 0.247 4.987 4.740 -0.000 0.000 0.255 120 N C -0.148 175.322 175.510 -0.067 0.000 1.110 120 N CA 0.037 53.053 53.050 -0.056 0.000 0.949 120 N CB 0.977 39.438 38.487 -0.044 0.000 1.110 120 N HN 0.786 nan 8.380 nan 0.000 0.490 121 Q N 1.913 121.672 119.800 -0.068 0.000 2.280 121 Q HA 0.086 4.426 4.340 -0.000 0.000 0.201 121 Q C 1.025 176.981 176.000 -0.074 0.000 0.890 121 Q CA -0.201 55.553 55.803 -0.081 0.000 0.947 121 Q CB 0.180 28.878 28.738 -0.067 0.000 1.081 121 Q HN 0.642 nan 8.270 nan 0.000 0.502 122 N N 1.582 120.248 118.700 -0.055 0.000 2.188 122 N HA -0.091 4.649 4.740 -0.000 0.000 0.184 122 N C -1.003 174.478 175.510 -0.049 0.000 1.018 122 N CA 0.964 53.988 53.050 -0.043 0.000 0.858 122 N CB -0.112 38.352 38.487 -0.038 0.000 0.989 122 N HN 0.151 nan 8.380 nan 0.000 0.426 123 P HA -0.062 nan 4.420 nan 0.000 0.219 123 P C 1.717 178.961 177.300 -0.094 0.000 1.150 123 P CA 0.738 63.804 63.100 -0.056 0.000 0.814 123 P CB -0.042 31.625 31.700 -0.054 0.000 0.787 124 M N -1.586 117.901 119.600 -0.188 0.000 2.113 124 M HA -0.255 4.225 4.480 -0.000 0.000 0.255 124 M C 0.681 176.680 176.300 -0.501 0.000 1.073 124 M CA 2.173 57.224 55.300 -0.416 0.000 1.091 124 M CB -0.259 31.968 32.600 -0.622 0.000 1.309 124 M HN -0.040 nan 8.290 nan 0.000 0.407 125 Y N -1.614 118.706 120.300 0.033 0.000 2.612 125 Y HA 0.144 4.694 4.550 -0.000 0.000 0.250 125 Y C 1.198 177.091 175.900 -0.011 0.000 1.175 125 Y CA -0.431 57.679 58.100 0.017 0.000 1.205 125 Y CB -0.404 38.050 38.460 -0.010 0.000 1.201 125 Y HN 0.304 nan 8.280 nan 0.000 0.532 126 D N -0.149 120.307 120.400 0.093 0.000 2.149 126 D HA -0.252 4.388 4.640 -0.000 0.000 0.198 126 D C 2.100 178.437 176.300 0.062 0.000 0.990 126 D CA 1.703 55.737 54.000 0.057 0.000 0.839 126 D CB 0.132 40.952 40.800 0.033 0.000 0.948 126 D HN 0.418 nan 8.370 nan 0.000 0.460 127 H N -0.216 118.856 119.070 0.004 0.000 2.387 127 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 127 H C 1.895 177.178 175.328 -0.076 0.000 1.090 127 H CA 1.948 57.987 56.048 -0.015 0.000 1.332 127 H CB -0.130 29.646 29.762 0.023 0.000 1.386 127 H HN 0.444 nan 8.280 nan 0.000 0.516 128 I N -2.692 117.746 120.570 -0.220 0.000 3.854 128 I HA 0.447 4.617 4.170 -0.000 0.000 0.312 128 I C 0.973 176.944 176.117 -0.244 0.000 1.273 128 I CA -0.067 61.007 61.300 -0.376 0.000 1.298 128 I CB 0.140 37.782 38.000 -0.597 0.000 1.071 128 I HN 0.196 nan 8.210 nan 0.000 0.428 129 A N 1.719 124.462 122.820 -0.129 0.000 2.322 129 A HA 0.460 4.780 4.320 -0.000 0.000 0.269 129 A C 1.121 178.672 177.584 -0.056 0.000 1.094 129 A CA 0.109 52.098 52.037 -0.081 0.000 0.807 129 A CB 0.849 19.840 19.000 -0.014 0.000 1.047 129 A HN 0.381 nan 8.150 nan 0.000 0.487 130 V N -1.417 118.482 119.914 -0.024 0.000 3.506 130 V HA 0.332 4.452 4.120 -0.000 0.000 0.263 130 V C 0.100 176.264 176.094 0.118 0.000 1.203 130 V CA 0.644 62.950 62.300 0.011 0.000 1.133 130 V CB -1.165 30.651 31.823 -0.013 0.000 0.802 130 V HN 0.767 nan 8.190 nan 0.000 0.459 131 Y N 1.176 121.438 120.300 -0.064 0.000 2.436 131 Y HA 0.654 5.204 4.550 -0.000 0.000 0.327 131 Y C -1.181 174.696 175.900 -0.037 0.000 1.138 131 Y CA -1.316 56.753 58.100 -0.051 0.000 1.042 131 Y CB 1.826 40.245 38.460 -0.067 0.000 1.302 131 Y HN 0.217 nan 8.280 nan 0.000 0.439 132 N N 4.544 123.088 118.700 -0.261 0.000 2.701 132 N HA 0.400 5.140 4.740 -0.000 0.000 0.258 132 N C -1.976 173.389 175.510 -0.242 0.000 1.262 132 N CA -0.468 52.486 53.050 -0.160 0.000 0.780 132 N CB 0.756 39.211 38.487 -0.053 0.000 1.380 132 N HN 0.691 nan 8.380 nan 0.000 0.548 133 R N 1.080 121.421 120.500 -0.265 0.000 2.744 133 R HA 0.496 4.836 4.340 -0.000 0.000 0.279 133 R C -0.642 175.601 176.300 -0.096 0.000 0.977 133 R CA -0.977 54.992 56.100 -0.217 0.000 0.906 133 R CB 2.503 32.596 30.300 -0.344 0.000 1.197 133 R HN 0.307 nan 8.270 nan 0.000 0.463 134 R N 2.208 122.671 120.500 -0.061 0.000 2.229 134 R HA 0.229 4.569 4.340 -0.000 0.000 0.332 134 R C -0.679 175.629 176.300 0.014 0.000 0.989 134 R CA -0.460 55.630 56.100 -0.017 0.000 0.842 134 R CB 0.987 31.279 30.300 -0.012 0.000 1.119 134 R HN 0.377 nan 8.270 nan 0.000 0.456 135 V N 5.048 124.995 119.914 0.054 0.000 2.509 135 V HA -0.062 4.058 4.120 -0.000 0.000 0.297 135 V C 1.430 177.650 176.094 0.209 0.000 1.014 135 V CA 0.905 63.265 62.300 0.099 0.000 1.127 135 V CB 0.723 32.671 31.823 0.209 0.000 0.925 135 V HN 1.032 nan 8.190 nan 0.000 0.480 136 A N 5.224 128.070 122.820 0.044 0.000 2.072 136 A HA 0.249 4.569 4.320 -0.000 0.000 0.216 136 A C 0.600 178.327 177.584 0.239 0.000 1.156 136 A CA 1.013 53.146 52.037 0.159 0.000 0.701 136 A CB -0.033 19.075 19.000 0.179 0.000 0.816 136 A HN 1.121 nan 8.150 nan 0.000 0.458 137 Y N -6.776 113.410 120.300 -0.191 0.000 2.604 137 Y HA 0.615 5.165 4.550 -0.000 0.000 0.331 137 Y C 0.823 176.017 175.900 -1.175 0.000 1.158 137 Y CA -1.003 56.698 58.100 -0.666 0.000 1.056 137 Y CB 0.443 38.732 38.460 -0.285 0.000 1.330 137 Y HN 0.013 nan 8.280 nan 0.000 0.457 138 A N 1.013 122.979 122.820 -1.424 0.000 1.873 138 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 138 A C 1.550 178.929 177.584 -0.342 0.000 1.193 138 A CA 2.431 53.925 52.037 -0.905 0.000 0.629 138 A CB -0.819 17.941 19.000 -0.399 0.000 0.826 138 A HN 0.918 nan 8.150 nan 0.000 0.447 139 E N 0.020 120.170 120.200 -0.083 0.000 2.267 139 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 139 E C 1.949 178.537 176.600 -0.020 0.000 0.998 139 E CA 1.534 57.961 56.400 0.046 0.000 0.830 139 E CB -0.289 29.530 29.700 0.197 0.000 0.751 139 E HN 0.974 nan 8.360 nan 0.000 0.491 140 Q N -0.386 119.230 119.800 -0.306 0.000 2.319 140 Q HA 0.125 4.465 4.340 -0.000 0.000 0.202 140 Q C 1.709 177.578 176.000 -0.218 0.000 0.896 140 Q CA -0.101 55.516 55.803 -0.310 0.000 0.942 140 Q CB -0.010 28.345 28.738 -0.638 0.000 1.083 140 Q HN 0.197 nan 8.270 nan 0.000 0.510 141 L N 1.926 123.033 121.223 -0.193 0.000 2.012 141 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 141 L C -0.864 175.973 176.870 -0.055 0.000 1.073 141 L CA 1.903 56.693 54.840 -0.084 0.000 0.748 141 L CB -0.997 41.048 42.059 -0.022 0.000 0.891 141 L HN 0.082 nan 8.230 nan 0.000 0.431 142 P HA -0.223 nan 4.420 nan 0.000 0.215 142 P C 1.515 178.803 177.300 -0.021 0.000 1.157 142 P CA 1.676 64.751 63.100 -0.041 0.000 0.868 142 P CB -0.128 31.563 31.700 -0.014 0.000 0.788 143 K N 0.033 120.415 120.400 -0.029 0.000 2.063 143 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 143 K C 1.942 178.516 176.600 -0.043 0.000 1.048 143 K CA 1.381 57.629 56.287 -0.065 0.000 0.928 143 K CB -0.612 31.864 32.500 -0.039 0.000 0.713 143 K HN 0.095 nan 8.250 nan 0.000 0.442 144 L N 0.481 121.694 121.223 -0.017 0.000 2.156 144 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 144 L C 2.352 179.228 176.870 0.011 0.000 1.095 144 L CA 0.446 55.313 54.840 0.044 0.000 0.770 144 L CB -0.232 41.864 42.059 0.062 0.000 0.914 144 L HN 0.029 nan 8.230 nan 0.000 0.439 145 V N 0.179 120.079 119.914 -0.023 0.000 2.358 145 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 145 V C 2.181 178.203 176.094 -0.120 0.000 1.047 145 V CA 2.119 64.386 62.300 -0.054 0.000 1.035 145 V CB -0.390 31.411 31.823 -0.037 0.000 0.658 145 V HN 0.474 nan 8.190 nan 0.000 0.452 146 D N 0.135 120.497 120.400 -0.063 0.000 2.104 146 D HA -0.265 4.375 4.640 -0.000 0.000 0.194 146 D C 2.165 178.345 176.300 -0.200 0.000 0.994 146 D CA 1.812 55.802 54.000 -0.016 0.000 0.830 146 D CB -0.073 40.770 40.800 0.072 0.000 0.959 146 D HN 0.542 nan 8.370 nan 0.000 0.452 147 E N -0.700 119.378 120.200 -0.203 0.000 2.106 147 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 147 E C 1.969 178.184 176.600 -0.640 0.000 0.984 147 E CA 0.927 57.122 56.400 -0.342 0.000 0.806 147 E CB -0.202 29.345 29.700 -0.256 0.000 0.750 147 E HN 0.353 nan 8.360 nan 0.000 0.458 148 A N 1.108 123.590 122.820 -0.563 0.000 1.902 148 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 148 A C 2.401 179.674 177.584 -0.519 0.000 1.181 148 A CA 1.827 53.540 52.037 -0.541 0.000 0.623 148 A CB -0.858 18.035 19.000 -0.178 0.000 0.818 148 A HN 0.416 nan 8.150 nan 0.000 0.443 149 A N -0.197 122.247 122.820 -0.628 0.000 1.877 149 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 149 A C 2.237 179.182 177.584 -1.065 0.000 1.186 149 A CA 1.845 53.355 52.037 -0.877 0.000 0.620 149 A CB -0.505 17.673 19.000 -1.371 0.000 0.822 149 A HN 0.583 nan 8.150 nan 0.000 0.443 150 R N -1.238 118.571 120.500 -1.151 0.000 2.081 150 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 150 R C 2.048 178.110 176.300 -0.397 0.000 1.131 150 R CA 1.971 57.629 56.100 -0.737 0.000 0.960 150 R CB -0.273 29.858 30.300 -0.282 0.000 0.856 150 R HN 0.392 nan 8.270 nan 0.000 0.436 151 M N 0.161 119.503 119.600 -0.431 0.000 2.156 151 M HA -0.002 4.478 4.480 -0.000 0.000 0.264 151 M C 2.448 178.610 176.300 -0.229 0.000 1.067 151 M CA 1.591 56.702 55.300 -0.316 0.000 1.131 151 M CB -1.035 31.289 32.600 -0.459 0.000 1.368 151 M HN 0.348 nan 8.290 nan 0.000 0.416 152 A N 0.731 123.390 122.820 -0.269 0.000 1.892 152 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 152 A C 2.242 179.743 177.584 -0.139 0.000 1.188 152 A CA 1.680 53.607 52.037 -0.183 0.000 0.631 152 A CB -0.894 17.988 19.000 -0.198 0.000 0.822 152 A HN 0.462 nan 8.150 nan 0.000 0.447 153 I N -0.652 119.820 120.570 -0.162 0.000 2.233 153 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 153 I C 2.959 179.055 176.117 -0.035 0.000 1.093 153 I CA 1.014 62.269 61.300 -0.075 0.000 1.380 153 I CB -0.371 37.606 38.000 -0.038 0.000 1.067 153 I HN 0.345 nan 8.210 nan 0.000 0.413 154 A N 0.377 123.169 122.820 -0.046 0.000 1.969 154 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 154 A C 2.039 179.620 177.584 -0.005 0.000 1.169 154 A CA 1.392 53.425 52.037 -0.006 0.000 0.635 154 A CB -0.165 18.832 19.000 -0.005 0.000 0.810 154 A HN 0.200 nan 8.150 nan 0.000 0.445 155 K N -0.779 119.600 120.400 -0.034 0.000 2.374 155 K HA 0.154 4.474 4.320 -0.000 0.000 0.196 155 K C -0.224 176.358 176.600 -0.031 0.000 1.023 155 K CA -0.058 56.213 56.287 -0.026 0.000 1.103 155 K CB 0.144 32.624 32.500 -0.033 0.000 0.848 155 K HN 0.536 nan 8.250 nan 0.000 0.528 156 R N 0.374 120.854 120.500 -0.033 0.000 3.188 156 R HA -0.188 4.152 4.340 -0.000 0.000 0.247 156 R C 0.425 176.694 176.300 -0.052 0.000 0.918 156 R CA 0.561 56.641 56.100 -0.033 0.000 0.629 156 R CB -1.936 28.355 30.300 -0.014 0.000 1.087 156 R HN 0.456 nan 8.270 nan 0.000 0.462 157 G N -1.241 107.517 108.800 -0.069 0.000 2.634 157 G HA2 0.477 4.437 3.960 -0.000 0.000 0.309 157 G HA3 0.477 4.437 3.960 -0.000 0.000 0.309 157 G C -0.990 173.850 174.900 -0.100 0.000 1.299 157 G CA -0.632 44.416 45.100 -0.087 0.000 0.798 157 G HN 0.073 nan 8.290 nan 0.000 0.490 158 V N 1.201 121.045 119.914 -0.116 0.000 2.408 158 V HA 0.560 4.680 4.120 -0.000 0.000 0.267 158 V C 0.647 176.698 176.094 -0.071 0.000 1.047 158 V CA 0.007 62.234 62.300 -0.122 0.000 0.937 158 V CB 0.599 32.313 31.823 -0.182 0.000 0.999 158 V HN 1.109 nan 8.190 nan 0.000 0.472 159 A N 5.752 128.539 122.820 -0.055 0.000 2.271 159 A HA 0.779 5.099 4.320 -0.000 0.000 0.317 159 A C -0.611 176.998 177.584 0.040 0.000 1.245 159 A CA -0.459 51.596 52.037 0.030 0.000 0.857 159 A CB 1.024 19.993 19.000 -0.051 0.000 1.175 159 A HN 0.644 nan 8.150 nan 0.000 0.512 160 V N 3.945 123.911 119.914 0.087 0.000 2.495 160 V HA 0.499 4.619 4.120 -0.000 0.000 0.298 160 V C -0.298 175.837 176.094 0.069 0.000 1.031 160 V CA -0.352 61.984 62.300 0.059 0.000 0.871 160 V CB 1.350 33.215 31.823 0.071 0.000 0.988 160 V HN 0.775 nan 8.190 nan 0.000 0.432 161 L N 3.788 125.046 121.223 0.059 0.000 2.381 161 L HA 0.578 4.918 4.340 -0.000 0.000 0.274 161 L C -0.197 176.690 176.870 0.029 0.000 0.988 161 L CA -0.383 54.483 54.840 0.043 0.000 0.824 161 L CB 2.323 44.417 42.059 0.059 0.000 1.263 161 L HN 0.700 nan 8.230 nan 0.000 0.410 162 E N 3.099 123.306 120.200 0.012 0.000 2.115 162 E HA 0.433 4.783 4.350 -0.000 0.000 0.282 162 E C -1.495 175.095 176.600 -0.017 0.000 0.987 162 E CA -0.585 55.812 56.400 -0.004 0.000 0.797 162 E CB 1.535 31.225 29.700 -0.017 0.000 1.086 162 E HN 0.324 nan 8.360 nan 0.000 0.397 163 V N 6.972 126.862 119.914 -0.039 0.000 2.326 163 V HA 0.290 4.410 4.120 -0.000 0.000 0.281 163 V C -2.251 173.715 176.094 -0.214 0.000 1.015 163 V CA -2.095 60.164 62.300 -0.068 0.000 0.823 163 V CB 1.098 32.918 31.823 -0.005 0.000 1.009 163 V HN 0.760 nan 8.190 nan 0.000 0.436 164 P HA 0.037 nan 4.420 nan 0.000 0.262 164 P C 1.229 178.237 177.300 -0.487 0.000 1.182 164 P CA 0.458 63.183 63.100 -0.625 0.000 0.761 164 P CB 0.767 31.737 31.700 -1.217 0.000 0.795 165 G N 2.871 111.509 108.800 -0.269 0.000 2.586 165 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 165 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 165 G C 0.824 175.666 174.900 -0.098 0.000 1.128 165 G CA 0.404 45.415 45.100 -0.147 0.000 0.774 165 G HN 0.567 nan 8.290 nan 0.000 0.543 166 D N -0.355 119.969 120.400 -0.126 0.000 2.367 166 D HA 0.001 4.641 4.640 -0.000 0.000 0.207 166 D C 1.626 178.043 176.300 0.195 0.000 1.034 166 D CA -0.300 53.713 54.000 0.021 0.000 0.861 166 D CB -0.370 40.453 40.800 0.038 0.000 0.943 166 D HN 0.200 nan 8.370 nan 0.000 0.515 167 F N 2.538 122.486 119.950 -0.004 0.000 2.134 167 F HA 0.097 4.624 4.527 -0.000 0.000 0.299 167 F C 2.783 178.574 175.800 -0.015 0.000 1.097 167 F CA 0.469 58.467 58.000 -0.004 0.000 1.264 167 F CB -1.253 37.738 39.000 -0.015 0.000 1.001 167 F HN 0.069 nan 8.300 nan 0.000 0.479 168 A N -0.191 122.732 122.820 0.172 0.000 2.125 168 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 168 A C 2.166 179.773 177.584 0.038 0.000 1.156 168 A CA 1.196 53.272 52.037 0.066 0.000 0.671 168 A CB -0.695 18.319 19.000 0.023 0.000 0.794 168 A HN 0.367 nan 8.150 nan 0.000 0.459 169 K N -0.407 120.027 120.400 0.056 0.000 2.228 169 K HA 0.103 4.423 4.320 -0.000 0.000 0.202 169 K C 0.247 176.868 176.600 0.036 0.000 1.051 169 K CA 0.173 56.481 56.287 0.036 0.000 0.960 169 K CB -0.112 32.412 32.500 0.039 0.000 0.743 169 K HN 0.303 nan 8.250 nan 0.000 0.458 170 V N 2.479 122.424 119.914 0.053 0.000 2.872 170 V HA -0.048 4.072 4.120 -0.000 0.000 0.307 170 V C 0.376 176.482 176.094 0.019 0.000 1.072 170 V CA 0.133 62.456 62.300 0.038 0.000 1.148 170 V CB 0.928 32.773 31.823 0.037 0.000 0.954 170 V HN 0.225 nan 8.190 nan 0.000 0.490 171 E N 3.487 123.700 120.200 0.021 0.000 2.202 171 E HA 0.721 5.071 4.350 -0.000 0.000 0.272 171 E C -0.847 175.773 176.600 0.034 0.000 0.951 171 E CA -0.661 55.752 56.400 0.022 0.000 0.813 171 E CB 1.663 31.377 29.700 0.024 0.000 1.151 171 E HN 0.655 nan 8.360 nan 0.000 0.398 172 I N -0.934 119.666 120.570 0.049 0.000 3.174 172 I HA 0.527 4.697 4.170 -0.000 0.000 0.313 172 I C -0.919 175.263 176.117 0.108 0.000 1.155 172 I CA -1.248 60.099 61.300 0.078 0.000 0.977 172 I CB 1.912 39.972 38.000 0.100 0.000 1.248 172 I HN 0.223 nan 8.210 nan 0.000 0.453 173 D N 2.278 122.747 120.400 0.115 0.000 2.345 173 D HA 0.098 4.738 4.640 -0.000 0.000 0.247 173 D C 0.616 177.030 176.300 0.190 0.000 1.108 173 D CA 0.259 54.329 54.000 0.117 0.000 0.894 173 D CB 1.166 42.014 40.800 0.081 0.000 1.203 173 D HN 0.670 nan 8.370 nan 0.000 0.430 174 N N 1.239 120.051 118.700 0.186 0.000 2.272 174 N HA -0.199 4.541 4.740 -0.000 0.000 0.185 174 N C 0.615 176.156 175.510 0.052 0.000 1.014 174 N CA 1.164 54.372 53.050 0.264 0.000 0.870 174 N CB 0.107 38.709 38.487 0.191 0.000 0.975 174 N HN 0.441 nan 8.380 nan 0.000 0.433 175 D N -1.450 118.960 120.400 0.017 0.000 2.349 175 D HA -0.035 4.605 4.640 -0.000 0.000 0.224 175 D C 0.678 176.974 176.300 -0.006 0.000 1.029 175 D CA 0.354 54.318 54.000 -0.061 0.000 0.879 175 D CB -0.109 40.672 40.800 -0.033 0.000 0.906 175 D HN 0.162 nan 8.370 nan 0.000 0.528 176 Q N 0.200 120.061 119.800 0.101 0.000 2.246 176 Q HA 0.149 4.489 4.340 -0.000 0.000 0.202 176 Q C -0.347 175.816 176.000 0.271 0.000 0.883 176 Q CA -0.069 55.833 55.803 0.164 0.000 0.952 176 Q CB 0.220 29.058 28.738 0.167 0.000 1.078 176 Q HN 0.636 nan 8.270 nan 0.000 0.493 177 W N 0.246 121.610 121.300 0.107 0.000 3.118 177 W HA 0.570 5.230 4.660 -0.000 0.000 0.328 177 W C -1.759 174.868 176.519 0.181 0.000 1.239 177 W CA -1.329 56.068 57.345 0.087 0.000 1.176 177 W CB 0.528 30.005 29.460 0.029 0.000 1.433 177 W HN -0.021 nan 8.180 nan 0.000 0.562 178 Y N -0.430 119.939 120.300 0.116 0.000 2.677 178 Y HA 0.622 5.172 4.550 -0.000 0.000 0.334 178 Y C -1.575 174.446 175.900 0.203 0.000 1.196 178 Y CA -1.203 56.811 58.100 -0.144 0.000 1.059 178 Y CB 1.025 39.382 38.460 -0.172 0.000 1.315 178 Y HN 0.539 nan 8.280 nan 0.000 0.455 179 S N 0.600 116.464 115.700 0.273 0.000 2.501 179 S HA 0.492 4.962 4.470 -0.000 0.000 0.301 179 S C 0.217 174.962 174.600 0.241 0.000 1.096 179 S CA -0.067 58.274 58.200 0.234 0.000 1.063 179 S CB 1.006 64.325 63.200 0.199 0.000 1.042 179 S HN 1.213 nan 8.310 nan 0.000 0.494 180 S N 3.452 119.292 115.700 0.233 0.000 2.572 180 S HA 0.296 4.766 4.470 -0.000 0.000 0.228 180 S C 1.557 176.048 174.600 -0.182 0.000 0.963 180 S CA 0.111 58.432 58.200 0.202 0.000 0.939 180 S CB 0.042 63.456 63.200 0.357 0.000 0.804 180 S HN 0.867 nan 8.310 nan 0.000 0.480 181 A N 4.059 126.444 122.820 -0.725 0.000 1.978 181 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 181 A C 2.230 179.394 177.584 -0.700 0.000 1.170 181 A CA 1.670 52.769 52.037 -1.565 0.000 0.636 181 A CB -0.872 17.164 19.000 -1.606 0.000 0.810 181 A HN 0.798 nan 8.150 nan 0.000 0.448 182 N N 0.034 118.510 118.700 -0.373 0.000 2.364 182 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 182 N C 1.031 176.445 175.510 -0.160 0.000 1.022 182 N CA 1.647 54.567 53.050 -0.215 0.000 0.883 182 N CB -0.544 37.862 38.487 -0.136 0.000 0.965 182 N HN 0.294 nan 8.380 nan 0.000 0.438 183 S N 0.357 115.971 115.700 -0.143 0.000 2.575 183 S HA 0.147 4.617 4.470 -0.000 0.000 0.215 183 S C 0.481 175.048 174.600 -0.056 0.000 0.966 183 S CA -0.690 57.468 58.200 -0.070 0.000 0.911 183 S CB -0.160 63.035 63.200 -0.010 0.000 0.780 183 S HN 0.307 nan 8.310 nan 0.000 0.514 184 L N 3.928 125.084 121.223 -0.111 0.000 2.584 184 L HA 0.171 4.511 4.340 -0.000 0.000 0.272 184 L C -0.055 176.798 176.870 -0.029 0.000 1.195 184 L CA 0.827 55.653 54.840 -0.024 0.000 0.920 184 L CB 0.071 42.096 42.059 -0.055 0.000 1.173 184 L HN -0.007 nan 8.230 nan 0.000 0.489 185 R N 4.873 125.360 120.500 -0.022 0.000 2.725 185 R HA 0.571 4.911 4.340 -0.000 0.000 0.277 185 R C -1.036 175.205 176.300 -0.098 0.000 0.987 185 R CA -0.909 55.145 56.100 -0.077 0.000 0.901 185 R CB 1.973 32.198 30.300 -0.125 0.000 1.207 185 R HN 0.620 nan 8.270 nan 0.000 0.463 186 K N 1.335 121.669 120.400 -0.110 0.000 2.426 186 K HA 0.411 4.731 4.320 -0.000 0.000 0.251 186 K C -1.006 175.521 176.600 -0.121 0.000 0.941 186 K CA -0.753 55.484 56.287 -0.083 0.000 0.808 186 K CB 2.140 34.648 32.500 0.013 0.000 1.265 186 K HN 0.376 nan 8.250 nan 0.000 0.432 187 Y N 1.000 121.315 120.300 0.026 0.000 2.359 187 Y HA 0.198 4.748 4.550 0.000 0.000 0.330 187 Y C 0.787 176.699 175.900 0.021 0.000 1.143 187 Y CA -0.187 57.925 58.100 0.020 0.000 1.318 187 Y CB 0.990 39.461 38.460 0.017 0.000 1.234 187 Y HN 0.603 nan 8.280 nan 0.000 0.522 188 A N 5.224 128.152 122.820 0.181 0.000 2.287 188 A HA 0.454 4.774 4.320 -0.000 0.000 0.273 188 A C -2.378 175.269 177.584 0.105 0.000 1.091 188 A CA -1.701 50.402 52.037 0.111 0.000 0.817 188 A CB -0.372 18.675 19.000 0.078 0.000 1.069 188 A HN 0.567 nan 8.150 nan 0.000 0.492 189 P HA 0.087 nan 4.420 nan 0.000 0.260 189 P C -0.879 176.437 177.300 0.027 0.000 1.172 189 P CA 0.825 63.950 63.100 0.043 0.000 0.760 189 P CB 0.074 31.792 31.700 0.029 0.000 0.773 190 I N 2.214 122.789 120.570 0.007 0.000 2.353 190 I HA 0.375 4.545 4.170 -0.000 0.000 0.293 190 I C 0.762 176.866 176.117 -0.023 0.000 0.992 190 I CA -1.017 60.277 61.300 -0.010 0.000 1.268 190 I CB 1.468 39.445 38.000 -0.038 0.000 1.387 190 I HN 0.324 nan 8.210 nan 0.000 0.478 191 A N 8.836 131.645 122.820 -0.020 0.000 2.462 191 A HA 0.454 4.774 4.320 -0.000 0.000 0.243 191 A C -2.118 175.448 177.584 -0.029 0.000 1.076 191 A CA -0.869 51.153 52.037 -0.025 0.000 0.773 191 A CB -0.440 18.549 19.000 -0.018 0.000 1.010 191 A HN 0.521 nan 8.150 nan 0.000 0.493 192 P HA 0.405 nan 4.420 nan 0.000 0.276 192 P C -0.408 176.877 177.300 -0.026 0.000 1.252 192 P CA -0.265 62.817 63.100 -0.031 0.000 0.802 192 P CB 1.030 32.709 31.700 -0.035 0.000 1.035 193 A N 1.432 124.238 122.820 -0.023 0.000 2.454 193 A HA 0.389 4.709 4.320 -0.000 0.000 0.260 193 A C 1.657 179.231 177.584 -0.018 0.000 1.106 193 A CA 0.234 52.260 52.037 -0.019 0.000 0.780 193 A CB -0.388 18.601 19.000 -0.017 0.000 1.044 193 A HN 0.611 nan 8.150 nan 0.000 0.498 194 A N 1.803 124.613 122.820 -0.016 0.000 1.948 194 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 194 A C 2.041 179.617 177.584 -0.013 0.000 1.177 194 A CA 2.011 54.039 52.037 -0.015 0.000 0.636 194 A CB -0.608 18.385 19.000 -0.012 0.000 0.815 194 A HN 0.982 nan 8.150 nan 0.000 0.449 195 Q N -0.674 119.119 119.800 -0.012 0.000 2.135 195 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 195 Q C 1.081 177.075 176.000 -0.011 0.000 0.981 195 Q CA 1.910 57.707 55.803 -0.010 0.000 0.856 195 Q CB -0.173 28.560 28.738 -0.008 0.000 0.902 195 Q HN 0.635 nan 8.270 nan 0.000 0.425 196 D N 0.192 120.584 120.400 -0.013 0.000 2.162 196 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 196 D C 1.933 178.223 176.300 -0.018 0.000 0.967 196 D CA 0.518 54.509 54.000 -0.015 0.000 0.840 196 D CB 0.073 40.863 40.800 -0.016 0.000 0.972 196 D HN 0.288 nan 8.370 nan 0.000 0.482 197 I N 1.679 122.238 120.570 -0.019 0.000 2.202 197 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 197 I C 1.684 177.790 176.117 -0.018 0.000 1.091 197 I CA 1.230 62.517 61.300 -0.022 0.000 1.368 197 I CB -0.796 37.190 38.000 -0.023 0.000 1.058 197 I HN -0.081 nan 8.210 nan 0.000 0.410 198 D N 1.167 121.558 120.400 -0.015 0.000 2.144 198 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 198 D C 2.263 178.556 176.300 -0.012 0.000 0.984 198 D CA 1.511 55.503 54.000 -0.013 0.000 0.834 198 D CB -0.081 40.712 40.800 -0.010 0.000 0.955 198 D HN 0.299 nan 8.370 nan 0.000 0.465 199 A N 0.906 123.720 122.820 -0.011 0.000 1.933 199 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 199 A C 2.297 179.874 177.584 -0.012 0.000 1.175 199 A CA 2.086 54.118 52.037 -0.009 0.000 0.628 199 A CB -0.628 18.368 19.000 -0.007 0.000 0.814 199 A HN 0.236 nan 8.150 nan 0.000 0.444 200 A N -0.563 122.247 122.820 -0.017 0.000 1.873 200 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 200 A C 2.216 179.788 177.584 -0.020 0.000 1.186 200 A CA 1.686 53.709 52.037 -0.023 0.000 0.616 200 A CB -0.991 17.992 19.000 -0.029 0.000 0.823 200 A HN 0.374 nan 8.150 nan 0.000 0.442 201 V N 0.190 120.093 119.914 -0.018 0.000 2.332 201 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 201 V C 2.552 178.638 176.094 -0.014 0.000 1.055 201 V CA 2.468 64.759 62.300 -0.016 0.000 1.038 201 V CB -0.719 31.095 31.823 -0.015 0.000 0.651 201 V HN 0.790 nan 8.190 nan 0.000 0.450 202 E N -0.117 120.076 120.200 -0.012 0.000 2.051 202 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 202 E C 2.255 178.849 176.600 -0.010 0.000 0.991 202 E CA 1.415 57.809 56.400 -0.010 0.000 0.799 202 E CB -0.140 29.556 29.700 -0.007 0.000 0.748 202 E HN 0.561 nan 8.360 nan 0.000 0.449 203 L N 0.507 121.723 121.223 -0.011 0.000 2.083 203 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 203 L C 2.538 179.398 176.870 -0.016 0.000 1.083 203 L CA 0.757 55.590 54.840 -0.012 0.000 0.752 203 L CB -0.270 41.782 42.059 -0.012 0.000 0.899 203 L HN 0.283 nan 8.230 nan 0.000 0.433 204 L N -0.691 120.522 121.223 -0.016 0.000 2.056 204 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 204 L C 2.114 178.977 176.870 -0.011 0.000 1.078 204 L CA 1.421 56.254 54.840 -0.012 0.000 0.749 204 L CB -0.602 41.451 42.059 -0.010 0.000 0.901 204 L HN 0.352 nan 8.230 nan 0.000 0.433 205 N N 0.232 118.925 118.700 -0.012 0.000 2.120 205 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 205 N C 1.189 176.691 175.510 -0.013 0.000 1.024 205 N CA 1.390 54.432 53.050 -0.013 0.000 0.852 205 N CB -0.119 38.360 38.487 -0.012 0.000 1.003 205 N HN 0.441 nan 8.380 nan 0.000 0.424 206 N N -0.141 118.550 118.700 -0.015 0.000 2.398 206 N HA 0.006 4.746 4.740 -0.000 0.000 0.188 206 N C -0.183 175.311 175.510 -0.026 0.000 1.122 206 N CA -0.276 52.764 53.050 -0.017 0.000 0.866 206 N CB 0.394 38.873 38.487 -0.014 0.000 0.970 206 N HN -0.009 nan 8.380 nan 0.000 0.462 207 S N 0.586 116.267 115.700 -0.032 0.000 2.565 207 S HA 0.167 4.637 4.470 -0.000 0.000 0.274 207 S C 0.996 175.552 174.600 -0.073 0.000 1.309 207 S CA -0.390 57.777 58.200 -0.056 0.000 1.043 207 S CB 1.122 64.288 63.200 -0.056 0.000 0.939 207 S HN 0.103 nan 8.310 nan 0.000 0.504 208 K N 2.577 122.905 120.400 -0.120 0.000 2.323 208 K HA 0.196 4.516 4.320 -0.000 0.000 0.197 208 K C 0.230 176.645 176.600 -0.308 0.000 1.043 208 K CA 0.454 56.658 56.287 -0.138 0.000 0.997 208 K CB 0.256 32.685 32.500 -0.118 0.000 0.807 208 K HN 0.484 nan 8.250 nan 0.000 0.497 209 R N 1.407 121.611 120.500 -0.492 0.000 2.687 209 R HA 0.191 4.531 4.340 -0.000 0.000 0.264 209 R C -2.798 173.172 176.300 -0.550 0.000 1.715 209 R CA -1.321 54.081 56.100 -1.162 0.000 1.633 209 R CB 1.350 30.685 30.300 -1.608 0.000 1.353 209 R HN 0.027 nan 8.270 nan 0.000 0.653 210 P HA 0.187 nan 4.420 nan 0.000 0.277 210 P C -0.618 176.877 177.300 0.324 0.000 1.240 210 P CA -0.306 62.852 63.100 0.095 0.000 0.798 210 P CB 2.079 33.838 31.700 0.098 0.000 0.979 211 V N 3.805 123.852 119.914 0.221 0.000 2.851 211 V HA 0.426 4.546 4.120 -0.000 0.000 0.307 211 V C -0.878 175.293 176.094 0.128 0.000 1.129 211 V CA -0.980 61.457 62.300 0.229 0.000 0.932 211 V CB 1.910 33.892 31.823 0.263 0.000 1.024 211 V HN 0.324 nan 8.190 nan 0.000 0.426 212 I N 6.621 127.241 120.570 0.083 0.000 2.321 212 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 212 I C -1.328 174.808 176.117 0.031 0.000 0.998 212 I CA -0.573 60.760 61.300 0.054 0.000 1.227 212 I CB 1.373 39.395 38.000 0.038 0.000 1.368 212 I HN 0.641 nan 8.210 nan 0.000 0.466 213 Y N 6.569 126.860 120.300 -0.016 0.000 2.478 213 Y HA 0.638 5.188 4.550 -0.000 0.000 0.329 213 Y C -0.051 175.801 175.900 -0.081 0.000 0.967 213 Y CA -1.098 56.998 58.100 -0.006 0.000 1.255 213 Y CB 1.126 39.711 38.460 0.209 0.000 1.103 213 Y HN 0.579 nan 8.280 nan 0.000 0.497 214 A N 3.853 126.735 122.820 0.103 0.000 2.276 214 A HA 0.776 5.096 4.320 -0.000 0.000 0.316 214 A C 0.335 177.954 177.584 0.059 0.000 1.229 214 A CA 0.068 52.153 52.037 0.081 0.000 0.851 214 A CB 0.296 19.422 19.000 0.210 0.000 1.165 214 A HN 0.864 nan 8.150 nan 0.000 0.513 215 G N 0.486 109.268 108.800 -0.030 0.000 2.705 215 G HA2 0.467 4.427 3.960 -0.000 0.000 0.299 215 G HA3 0.467 4.427 3.960 -0.000 0.000 0.299 215 G C 0.894 175.784 174.900 -0.016 0.000 1.315 215 G CA -0.232 44.857 45.100 -0.018 0.000 1.045 215 G HN 1.210 nan 8.290 nan 0.000 0.517 216 I N -1.783 118.793 120.570 0.009 0.000 3.010 216 I HA 0.038 4.208 4.170 -0.000 0.000 0.271 216 I C 1.925 178.043 176.117 0.002 0.000 1.293 216 I CA 1.085 62.390 61.300 0.008 0.000 1.452 216 I CB -0.254 37.770 38.000 0.041 0.000 1.082 216 I HN 0.395 nan 8.210 nan 0.000 0.484 217 G N 1.616 110.410 108.800 -0.011 0.000 2.471 217 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 217 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 217 G C 1.549 176.469 174.900 0.033 0.000 1.125 217 G CA 1.143 46.243 45.100 0.000 0.000 0.775 217 G HN 0.596 nan 8.290 nan 0.000 0.548 218 T N -1.662 112.900 114.554 0.014 0.000 3.144 218 T HA 0.360 4.710 4.350 -0.000 0.000 0.249 218 T C 1.155 175.862 174.700 0.011 0.000 1.089 218 T CA -0.340 61.793 62.100 0.054 0.000 0.989 218 T CB -0.109 68.755 68.868 -0.006 0.000 0.992 218 T HN -0.032 nan 8.240 nan 0.000 0.540 219 M N 2.037 121.615 119.600 -0.036 0.000 2.260 219 M HA 0.242 4.722 4.480 -0.000 0.000 0.348 219 M C 1.738 177.883 176.300 -0.259 0.000 1.342 219 M CA 1.661 56.888 55.300 -0.122 0.000 1.040 219 M CB -0.277 32.288 32.600 -0.058 0.000 1.810 219 M HN 0.701 nan 8.290 nan 0.000 0.453 220 G N 3.353 111.943 108.800 -0.349 0.000 2.176 220 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.253 220 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.253 220 G C 0.201 174.637 174.900 -0.774 0.000 0.979 220 G CA 0.347 45.123 45.100 -0.541 0.000 0.641 220 G HN 0.857 nan 8.290 nan 0.000 0.530 221 H N -0.714 118.283 119.070 -0.121 0.000 2.575 221 H HA 0.444 4.999 4.556 -0.000 0.000 0.256 221 H C 2.033 177.264 175.328 -0.161 0.000 1.162 221 H CA 0.336 56.318 56.048 -0.111 0.000 0.969 221 H CB 0.486 30.201 29.762 -0.079 0.000 1.796 221 H HN 0.303 nan 8.280 nan 0.000 0.607 222 G N 1.993 110.660 108.800 -0.221 0.000 2.440 222 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 222 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 222 G C -0.728 174.078 174.900 -0.157 0.000 1.154 222 G CA 0.503 45.396 45.100 -0.346 0.000 0.767 222 G HN 0.287 nan 8.290 nan 0.000 0.552 223 P HA -0.057 nan 4.420 nan 0.000 0.215 223 P C 2.208 179.479 177.300 -0.047 0.000 1.153 223 P CA 1.992 65.045 63.100 -0.079 0.000 0.853 223 P CB -0.111 31.559 31.700 -0.050 0.000 0.788 224 A N -0.783 122.030 122.820 -0.011 0.000 1.898 224 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 224 A C 2.307 179.897 177.584 0.009 0.000 1.181 224 A CA 1.647 53.689 52.037 0.007 0.000 0.620 224 A CB -1.655 17.362 19.000 0.030 0.000 0.819 224 A HN 0.021 nan 8.150 nan 0.000 0.442 225 V N 0.052 119.981 119.914 0.026 0.000 2.343 225 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 225 V C 2.612 178.730 176.094 0.039 0.000 1.051 225 V CA 2.205 64.548 62.300 0.073 0.000 1.036 225 V CB -0.908 31.031 31.823 0.193 0.000 0.654 225 V HN 0.635 nan 8.190 nan 0.000 0.451 226 Q N -0.358 119.401 119.800 -0.069 0.000 2.119 226 Q HA -0.252 4.088 4.340 -0.000 0.000 0.201 226 Q C 2.335 178.324 176.000 -0.020 0.000 0.972 226 Q CA 1.754 57.382 55.803 -0.292 0.000 0.847 226 Q CB -0.156 28.171 28.738 -0.685 0.000 0.903 226 Q HN 0.735 nan 8.270 nan 0.000 0.433 227 E N 0.642 120.836 120.200 -0.010 0.000 2.106 227 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 227 E C 1.946 178.564 176.600 0.031 0.000 0.984 227 E CA 0.635 57.050 56.400 0.025 0.000 0.806 227 E CB 0.051 29.755 29.700 0.006 0.000 0.750 227 E HN 0.205 nan 8.360 nan 0.000 0.458 228 L N 0.770 122.011 121.223 0.030 0.000 2.056 228 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 228 L C 2.244 179.142 176.870 0.047 0.000 1.078 228 L CA 2.097 56.953 54.840 0.025 0.000 0.749 228 L CB -0.726 41.348 42.059 0.025 0.000 0.901 228 L HN 0.150 nan 8.230 nan 0.000 0.433 229 A N -0.190 122.700 122.820 0.117 0.000 1.883 229 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 229 A C 2.451 180.089 177.584 0.090 0.000 1.186 229 A CA 2.015 54.182 52.037 0.217 0.000 0.624 229 A CB -0.577 18.675 19.000 0.420 0.000 0.822 229 A HN 0.522 nan 8.150 nan 0.000 0.444 230 R N -0.738 119.818 120.500 0.094 0.000 2.092 230 R HA -0.089 4.251 4.340 -0.000 0.000 0.231 230 R C 2.376 178.518 176.300 -0.262 0.000 1.119 230 R CA 1.509 57.521 56.100 -0.147 0.000 0.970 230 R CB -0.244 30.094 30.300 0.063 0.000 0.864 230 R HN 0.624 nan 8.270 nan 0.000 0.440 231 K N 1.443 121.769 120.400 -0.123 0.000 2.026 231 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 231 K C 1.817 178.330 176.600 -0.146 0.000 1.048 231 K CA 1.632 57.849 56.287 -0.116 0.000 0.929 231 K CB -0.009 32.457 32.500 -0.057 0.000 0.713 231 K HN 0.303 nan 8.250 nan 0.000 0.439 232 I N -2.885 117.611 120.570 -0.122 0.000 3.928 232 I HA 0.161 4.331 4.170 -0.000 0.000 0.335 232 I C -0.703 175.340 176.117 -0.124 0.000 1.325 232 I CA -0.396 60.849 61.300 -0.092 0.000 1.107 232 I CB 0.470 38.458 38.000 -0.021 0.000 1.014 232 I HN -0.035 nan 8.210 nan 0.000 0.400 233 K N 1.573 121.765 120.400 -0.347 0.000 3.244 233 K HA -0.149 4.171 4.320 -0.000 0.000 0.270 233 K C -0.103 176.627 176.600 0.217 0.000 1.016 233 K CA 0.946 56.886 56.287 -0.579 0.000 0.754 233 K CB -1.958 30.241 32.500 -0.502 0.000 1.326 233 K HN 0.677 nan 8.250 nan 0.000 0.465 234 A N 0.766 123.769 122.820 0.304 0.000 2.287 234 A HA 0.624 4.944 4.320 -0.000 0.000 0.317 234 A C -2.275 175.572 177.584 0.439 0.000 1.220 234 A CA -1.581 50.706 52.037 0.418 0.000 0.835 234 A CB 1.091 20.240 19.000 0.248 0.000 1.180 234 A HN -0.070 nan 8.150 nan 0.000 0.500 235 P HA 0.248 nan 4.420 nan 0.000 0.271 235 P C -0.589 176.681 177.300 -0.050 0.000 1.233 235 P CA -0.102 62.968 63.100 -0.051 0.000 0.789 235 P CB 0.679 32.199 31.700 -0.302 0.000 0.951 236 V N 3.044 122.843 119.914 -0.191 0.000 2.459 236 V HA 0.400 4.519 4.120 -0.000 0.000 0.295 236 V C 0.244 176.034 176.094 -0.506 0.000 1.029 236 V CA -0.378 61.737 62.300 -0.309 0.000 0.874 236 V CB 1.241 32.818 31.823 -0.411 0.000 0.985 236 V HN 0.364 nan 8.190 nan 0.000 0.438 237 I N 3.424 123.668 120.570 -0.542 0.000 2.474 237 I HA 0.522 4.692 4.170 -0.000 0.000 0.294 237 I C 0.175 175.829 176.117 -0.771 0.000 1.005 237 I CA -0.112 60.731 61.300 -0.762 0.000 1.113 237 I CB 2.311 39.722 38.000 -0.981 0.000 1.289 237 I HN 0.639 nan 8.210 nan 0.000 0.436 238 T N 2.976 117.043 114.554 -0.811 0.000 2.883 238 T HA 0.601 4.951 4.350 -0.000 0.000 0.284 238 T C -0.250 174.165 174.700 -0.475 0.000 1.041 238 T CA -0.349 61.400 62.100 -0.585 0.000 1.007 238 T CB 1.643 70.084 68.868 -0.710 0.000 1.220 238 T HN 0.746 nan 8.240 nan 0.000 0.552 239 T N -1.183 113.245 114.554 -0.211 0.000 2.952 239 T HA 0.539 4.889 4.350 -0.000 0.000 0.286 239 T C 1.558 176.312 174.700 0.090 0.000 1.024 239 T CA -0.117 62.014 62.100 0.051 0.000 1.029 239 T CB 0.975 69.981 68.868 0.230 0.000 1.094 239 T HN 0.680 nan 8.240 nan 0.000 0.515 240 G N -0.094 108.885 108.800 0.297 0.000 2.535 240 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.218 240 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.218 240 G C 1.197 176.191 174.900 0.157 0.000 1.122 240 G CA 0.274 45.557 45.100 0.306 0.000 0.769 240 G HN 0.764 nan 8.290 nan 0.000 0.549 241 K N -0.747 119.774 120.400 0.203 0.000 2.361 241 K HA 0.102 4.422 4.320 -0.000 0.000 0.194 241 K C 1.184 177.866 176.600 0.137 0.000 1.032 241 K CA 0.023 56.444 56.287 0.224 0.000 1.048 241 K CB 0.322 32.968 32.500 0.242 0.000 0.842 241 K HN 0.122 nan 8.250 nan 0.000 0.526 242 N N -0.009 118.725 118.700 0.056 0.000 2.275 242 N HA 0.145 4.885 4.740 -0.000 0.000 0.236 242 N C 0.334 175.809 175.510 -0.057 0.000 1.154 242 N CA -0.100 52.945 53.050 -0.009 0.000 0.866 242 N CB 0.095 38.566 38.487 -0.026 0.000 1.093 242 N HN -0.053 nan 8.380 nan 0.000 0.515 243 F N 1.193 121.071 119.950 -0.120 0.000 2.216 243 F HA -0.112 4.415 4.527 -0.001 0.000 0.300 243 F C 2.289 178.098 175.800 0.014 0.000 1.085 243 F CA 1.171 59.134 58.000 -0.062 0.000 1.326 243 F CB 0.050 38.916 39.000 -0.224 0.000 1.027 243 F HN 0.351 nan 8.300 nan 0.000 0.497 244 E N -0.833 119.459 120.200 0.153 0.000 2.333 244 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 244 E C 1.605 178.202 176.600 -0.005 0.000 1.007 244 E CA 1.588 58.069 56.400 0.135 0.000 0.845 244 E CB -0.786 29.022 29.700 0.180 0.000 0.766 244 E HN 0.252 nan 8.360 nan 0.000 0.507 245 T N 0.260 114.699 114.554 -0.192 0.000 2.962 245 T HA -0.006 4.344 4.350 -0.000 0.000 0.270 245 T C -0.138 174.123 174.700 -0.732 0.000 1.088 245 T CA 0.772 62.564 62.100 -0.514 0.000 1.127 245 T CB -0.171 68.235 68.868 -0.771 0.000 0.883 245 T HN 0.086 nan 8.240 nan 0.000 0.493 246 F N 0.972 120.895 119.950 -0.044 0.000 2.507 246 F HA 0.430 4.957 4.527 -0.000 0.000 0.327 246 F C 0.362 176.183 175.800 0.036 0.000 1.068 246 F CA -1.732 56.226 58.000 -0.071 0.000 0.965 246 F CB 0.871 39.803 39.000 -0.113 0.000 1.192 246 F HN -0.267 nan 8.300 nan 0.000 0.476 247 E N 2.938 123.253 120.200 0.192 0.000 2.324 247 E HA -0.071 4.279 4.350 -0.000 0.000 0.271 247 E C 1.002 177.714 176.600 0.186 0.000 1.028 247 E CA -0.105 56.381 56.400 0.144 0.000 0.890 247 E CB 0.468 30.184 29.700 0.026 0.000 1.004 247 E HN 0.828 nan 8.360 nan 0.000 0.431 248 W N 5.061 126.489 121.300 0.212 0.000 2.331 248 W HA -0.198 4.461 4.660 -0.000 0.000 0.291 248 W C 0.337 176.981 176.519 0.208 0.000 1.214 248 W CA 1.366 58.857 57.345 0.244 0.000 1.228 248 W CB -0.443 29.135 29.460 0.196 0.000 1.135 248 W HN 0.357 nan 8.180 nan 0.000 0.537 249 D N -0.362 119.481 120.400 -0.928 0.000 2.358 249 D HA -0.013 4.627 4.640 -0.000 0.000 0.224 249 D C 0.216 176.328 176.300 -0.313 0.000 1.123 249 D CA -0.746 52.721 54.000 -0.889 0.000 0.833 249 D CB -1.389 38.461 40.800 -1.583 0.000 0.946 249 D HN -0.048 nan 8.370 nan 0.000 0.505 250 F N 3.137 122.941 119.950 -0.243 0.000 2.602 250 F HA 0.025 4.552 4.527 -0.000 0.000 0.385 250 F C 1.702 177.409 175.800 -0.154 0.000 1.063 250 F CA -0.909 57.002 58.000 -0.148 0.000 1.233 250 F CB 0.837 39.789 39.000 -0.079 0.000 1.067 250 F HN 0.034 nan 8.300 nan 0.000 0.564 251 E N 4.029 123.822 120.200 -0.677 0.000 2.160 251 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 251 E C 1.156 177.227 176.600 -0.881 0.000 0.991 251 E CA 1.360 57.364 56.400 -0.660 0.000 0.810 251 E CB -0.323 29.082 29.700 -0.491 0.000 0.742 251 E HN 0.586 nan 8.360 nan 0.000 0.466 252 A N 1.006 122.962 122.820 -1.440 0.000 2.460 252 A HA 0.264 4.584 4.320 -0.000 0.000 0.258 252 A C 0.415 177.628 177.584 -0.619 0.000 1.300 252 A CA -0.530 50.860 52.037 -1.079 0.000 0.913 252 A CB 0.077 18.441 19.000 -1.060 0.000 1.031 252 A HN 0.236 nan 8.150 nan 0.000 0.512 253 L N 1.537 122.503 121.223 -0.428 0.000 2.315 253 L HA 0.331 4.671 4.340 -0.000 0.000 0.283 253 L C 1.393 178.033 176.870 -0.382 0.000 1.089 253 L CA 1.031 55.685 54.840 -0.311 0.000 0.833 253 L CB 0.743 42.725 42.059 -0.128 0.000 1.170 253 L HN 0.294 nan 8.230 nan 0.000 0.442 254 T N 1.257 115.492 114.554 -0.531 0.000 3.081 254 T HA 0.549 4.899 4.350 -0.000 0.000 0.250 254 T C 0.938 175.187 174.700 -0.752 0.000 1.100 254 T CA 0.220 62.025 62.100 -0.492 0.000 1.038 254 T CB -0.343 68.230 68.868 -0.493 0.000 0.962 254 T HN 1.226 nan 8.240 nan 0.000 0.516 255 G N 1.570 109.602 108.800 -1.281 0.000 2.482 255 G HA2 0.031 3.991 3.960 -0.000 0.000 0.214 255 G HA3 0.031 3.991 3.960 -0.000 0.000 0.214 255 G C -0.281 174.009 174.900 -1.017 0.000 1.271 255 G CA -0.329 43.687 45.100 -1.806 0.000 0.944 255 G HN 1.360 nan 8.290 nan 0.000 0.568 256 S N -1.091 114.241 115.700 -0.613 0.000 2.648 256 S HA 0.862 5.332 4.470 -0.000 0.000 0.305 256 S C 0.309 174.776 174.600 -0.220 0.000 1.094 256 S CA 0.626 58.609 58.200 -0.362 0.000 0.983 256 S CB 1.767 64.955 63.200 -0.021 0.000 1.101 256 S HN 2.197 nan 8.310 nan 0.000 0.514 257 T N -1.156 113.294 114.554 -0.173 0.000 2.862 257 T HA 0.581 4.931 4.350 -0.000 0.000 0.276 257 T C -0.156 174.661 174.700 0.195 0.000 0.974 257 T CA -0.153 61.926 62.100 -0.035 0.000 0.966 257 T CB 0.023 68.861 68.868 -0.051 0.000 1.072 257 T HN 1.298 nan 8.240 nan 0.000 0.538 258 Y N 0.333 120.635 120.300 0.004 0.000 2.926 258 Y HA -0.324 4.226 4.550 -0.001 0.000 0.464 258 Y C 1.709 177.572 175.900 -0.062 0.000 1.226 258 Y CA 0.539 58.598 58.100 -0.067 0.000 2.406 258 Y CB -0.818 37.490 38.460 -0.252 0.000 1.271 258 Y HN 0.911 nan 8.280 nan 0.000 0.634 259 R N -0.155 119.769 120.500 -0.960 0.000 2.097 259 R HA -0.080 4.260 4.340 -0.000 0.000 0.236 259 R C 0.590 176.829 176.300 -0.102 0.000 1.135 259 R CA 2.011 57.795 56.100 -0.526 0.000 0.934 259 R CB -0.744 29.214 30.300 -0.569 0.000 0.846 259 R HN 0.289 nan 8.270 nan 0.000 0.431 260 V N 1.522 121.447 119.914 0.018 0.000 2.149 260 V HA 0.259 4.379 4.120 -0.000 0.000 0.245 260 V C 0.505 176.694 176.094 0.159 0.000 1.349 260 V CA 0.282 62.657 62.300 0.126 0.000 1.289 260 V CB 0.126 32.058 31.823 0.180 0.000 1.401 260 V HN 0.534 nan 8.190 nan 0.000 0.501 261 G N 1.960 110.849 108.800 0.149 0.000 2.706 261 G HA2 0.577 4.537 3.960 -0.000 0.000 0.307 261 G HA3 0.577 4.537 3.960 -0.000 0.000 0.307 261 G C -2.080 172.994 174.900 0.291 0.000 1.307 261 G CA -0.632 44.581 45.100 0.187 0.000 0.790 261 G HN 0.237 nan 8.290 nan 0.000 0.503 262 W N -0.158 120.971 121.300 -0.285 0.000 2.762 262 W HA 0.643 5.303 4.660 -0.001 0.000 0.355 262 W C 1.313 177.297 176.519 -0.893 0.000 1.124 262 W CA -1.267 55.611 57.345 -0.778 0.000 1.141 262 W CB 1.893 30.838 29.460 -0.858 0.000 1.432 262 W HN 0.704 nan 8.180 nan 0.000 0.586 263 K N 0.687 120.376 120.400 -1.186 0.000 2.025 263 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 263 K C -0.951 175.397 176.600 -0.420 0.000 1.049 263 K CA 1.797 57.720 56.287 -0.606 0.000 0.933 263 K CB -1.129 31.119 32.500 -0.419 0.000 0.714 263 K HN 0.056 nan 8.250 nan 0.000 0.438 264 P HA -0.193 nan 4.420 nan 0.000 0.213 264 P C 1.098 178.141 177.300 -0.428 0.000 1.170 264 P CA 2.282 65.136 63.100 -0.410 0.000 0.902 264 P CB -0.134 31.369 31.700 -0.329 0.000 0.789 265 A N -0.518 122.060 122.820 -0.402 0.000 1.908 265 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 265 A C 2.226 179.645 177.584 -0.274 0.000 1.181 265 A CA 1.961 53.763 52.037 -0.391 0.000 0.627 265 A CB -1.595 17.126 19.000 -0.465 0.000 0.818 265 A HN 0.163 nan 8.150 nan 0.000 0.445 266 N N -0.378 118.190 118.700 -0.219 0.000 2.223 266 N HA -0.145 4.595 4.740 -0.000 0.000 0.185 266 N C 1.655 177.124 175.510 -0.067 0.000 1.016 266 N CA 1.609 54.590 53.050 -0.114 0.000 0.863 266 N CB -0.189 38.246 38.487 -0.086 0.000 0.983 266 N HN 0.694 nan 8.380 nan 0.000 0.429 267 E N -0.322 119.811 120.200 -0.112 0.000 2.122 267 E HA -0.008 4.342 4.350 -0.000 0.000 0.190 267 E C 1.735 178.335 176.600 -0.001 0.000 0.977 267 E CA 0.757 57.155 56.400 -0.002 0.000 0.820 267 E CB 0.028 29.705 29.700 -0.038 0.000 0.770 267 E HN 0.229 nan 8.360 nan 0.000 0.462 268 T N 1.732 116.138 114.554 -0.246 0.000 2.684 268 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 268 T C 1.903 176.712 174.700 0.182 0.000 1.036 268 T CA 0.983 63.018 62.100 -0.109 0.000 1.148 268 T CB -0.226 68.472 68.868 -0.283 0.000 0.863 268 T HN 0.041 nan 8.240 nan 0.000 0.436 269 I N 0.922 121.533 120.570 0.067 0.000 2.454 269 I HA -0.030 4.140 4.170 -0.000 0.000 0.254 269 I C 1.785 177.975 176.117 0.123 0.000 1.156 269 I CA 1.114 62.489 61.300 0.125 0.000 1.433 269 I CB -0.339 37.699 38.000 0.063 0.000 1.082 269 I HN 0.235 nan 8.210 nan 0.000 0.432 270 L N -0.363 120.908 121.223 0.081 0.000 2.492 270 L HA 0.020 4.360 4.340 -0.000 0.000 0.223 270 L C 1.690 178.629 176.870 0.115 0.000 1.132 270 L CA 0.490 55.298 54.840 -0.054 0.000 0.850 270 L CB -0.396 41.490 42.059 -0.289 0.000 0.966 270 L HN 0.189 nan 8.230 nan 0.000 0.454 271 E N 0.174 120.583 120.200 0.350 0.000 2.489 271 E HA 0.230 4.580 4.350 -0.000 0.000 0.204 271 E C 0.697 177.430 176.600 0.223 0.000 1.006 271 E CA 0.008 56.672 56.400 0.439 0.000 0.936 271 E CB 0.677 30.835 29.700 0.763 0.000 1.002 271 E HN 0.263 nan 8.360 nan 0.000 0.488 272 A N 1.302 124.251 122.820 0.216 0.000 2.366 272 A HA 0.160 4.480 4.320 -0.000 0.000 0.249 272 A C 0.432 177.977 177.584 -0.065 0.000 1.084 272 A CA -0.077 51.969 52.037 0.015 0.000 0.794 272 A CB 0.493 19.619 19.000 0.209 0.000 1.034 272 A HN -0.149 nan 8.150 nan 0.000 0.491 273 D N -0.464 119.835 120.400 -0.169 0.000 2.725 273 D HA 0.132 4.772 4.640 -0.000 0.000 0.269 273 D C -0.003 176.267 176.300 -0.049 0.000 1.018 273 D CA 1.372 55.307 54.000 -0.108 0.000 0.956 273 D CB 0.067 40.765 40.800 -0.169 0.000 1.141 273 D HN 0.484 nan 8.370 nan 0.000 0.478 274 T N 1.133 115.651 114.554 -0.059 0.000 2.812 274 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 274 T C -0.350 174.337 174.700 -0.022 0.000 0.990 274 T CA -0.529 61.549 62.100 -0.035 0.000 0.960 274 T CB 2.610 71.454 68.868 -0.041 0.000 0.948 274 T HN -0.303 nan 8.240 nan 0.000 0.438 275 V N 4.217 124.084 119.914 -0.080 0.000 2.417 275 V HA 0.457 4.577 4.120 -0.000 0.000 0.291 275 V C -0.499 175.439 176.094 -0.260 0.000 1.024 275 V CA -0.888 61.336 62.300 -0.125 0.000 0.861 275 V CB 1.654 33.356 31.823 -0.203 0.000 0.985 275 V HN 0.680 nan 8.190 nan 0.000 0.436 276 L N 6.074 127.224 121.223 -0.122 0.000 2.287 276 L HA 0.502 4.842 4.340 -0.000 0.000 0.280 276 L C -0.708 176.117 176.870 -0.075 0.000 1.055 276 L CA -0.098 54.667 54.840 -0.125 0.000 0.863 276 L CB 0.305 42.339 42.059 -0.043 0.000 1.245 276 L HN 0.542 nan 8.230 nan 0.000 0.432 277 F N 5.048 124.721 119.950 -0.462 0.000 2.423 277 F HA 0.575 5.103 4.527 0.001 0.000 0.356 277 F C 0.450 176.143 175.800 -0.179 0.000 1.170 277 F CA -0.720 57.051 58.000 -0.382 0.000 1.163 277 F CB 0.292 38.824 39.000 -0.780 0.000 1.318 277 F HN 0.589 nan 8.300 nan 0.000 0.569 278 A N 4.226 126.914 122.820 -0.219 0.000 2.253 278 A HA 0.545 4.865 4.320 -0.000 0.000 0.316 278 A C 0.834 178.279 177.584 -0.232 0.000 1.327 278 A CA -0.123 51.807 52.037 -0.178 0.000 0.917 278 A CB -0.104 18.851 19.000 -0.076 0.000 1.162 278 A HN 1.560 nan 8.150 nan 0.000 0.535 279 G N 1.504 110.178 108.800 -0.209 0.000 2.350 279 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.298 279 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.298 279 G C 0.160 174.926 174.900 -0.224 0.000 1.037 279 G CA 0.826 45.830 45.100 -0.160 0.000 1.074 279 G HN 1.717 nan 8.290 nan 0.000 0.511 280 S N -0.981 114.462 115.700 -0.428 0.000 2.564 280 S HA 0.707 5.177 4.470 -0.000 0.000 0.274 280 S C -0.130 174.389 174.600 -0.135 0.000 1.124 280 S CA -0.295 57.667 58.200 -0.396 0.000 0.869 280 S CB 1.773 64.510 63.200 -0.773 0.000 1.105 280 S HN 0.644 nan 8.310 nan 0.000 0.472 281 N N 2.173 120.957 118.700 0.139 0.000 2.588 281 N HA 0.235 4.975 4.740 -0.000 0.000 0.298 281 N C -1.087 174.629 175.510 0.344 0.000 1.718 281 N CA -0.581 52.635 53.050 0.276 0.000 0.888 281 N CB -0.223 38.356 38.487 0.153 0.000 1.389 281 N HN 0.498 nan 8.380 nan 0.000 0.491 282 F N 2.479 122.630 119.950 0.336 0.000 2.417 282 F HA 0.042 4.569 4.527 -0.000 0.000 0.412 282 F C -1.103 174.809 175.800 0.187 0.000 0.964 282 F CA -1.200 56.984 58.000 0.306 0.000 1.081 282 F CB 0.733 39.971 39.000 0.397 0.000 0.909 282 F HN 0.276 nan 8.300 nan 0.000 0.522 283 P HA -0.166 nan 4.420 nan 0.000 0.226 283 P C 1.164 178.022 177.300 -0.738 0.000 1.153 283 P CA 1.390 64.188 63.100 -0.503 0.000 0.777 283 P CB -0.116 31.263 31.700 -0.535 0.000 0.794 284 F N 0.009 119.403 119.950 -0.927 0.000 2.776 284 F HA 0.097 4.623 4.527 -0.002 0.000 0.300 284 F C 2.433 177.989 175.800 -0.408 0.000 1.116 284 F CA 0.281 57.846 58.000 -0.726 0.000 1.375 284 F CB -0.824 37.639 39.000 -0.896 0.000 1.109 284 F HN -0.148 nan 8.300 nan 0.000 0.585 285 S N 0.825 116.467 115.700 -0.096 0.000 2.401 285 S HA -0.318 4.152 4.470 -0.000 0.000 0.236 285 S C 1.925 176.558 174.600 0.056 0.000 1.058 285 S CA 2.290 60.579 58.200 0.148 0.000 1.151 285 S CB -0.421 62.973 63.200 0.324 0.000 1.049 285 S HN 0.440 nan 8.310 nan 0.000 0.432 286 E N 0.513 120.726 120.200 0.023 0.000 2.028 286 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 286 E C 2.326 178.915 176.600 -0.018 0.000 0.984 286 E CA 1.124 57.528 56.400 0.006 0.000 0.800 286 E CB -0.477 29.215 29.700 -0.014 0.000 0.758 286 E HN 0.532 nan 8.360 nan 0.000 0.448 287 V N -0.279 119.609 119.914 -0.043 0.000 2.720 287 V HA -0.116 4.004 4.120 -0.000 0.000 0.256 287 V C 1.248 177.318 176.094 -0.041 0.000 1.082 287 V CA 1.514 63.790 62.300 -0.040 0.000 1.101 287 V CB -0.246 31.547 31.823 -0.050 0.000 0.693 287 V HN 0.063 nan 8.190 nan 0.000 0.479 288 E N 0.742 120.904 120.200 -0.063 0.000 2.498 288 E HA 0.266 4.616 4.350 -0.000 0.000 0.203 288 E C 1.663 178.247 176.600 -0.026 0.000 1.013 288 E CA 0.517 56.872 56.400 -0.076 0.000 0.927 288 E CB 0.314 29.877 29.700 -0.227 0.000 1.012 288 E HN 0.850 nan 8.360 nan 0.000 0.482 289 G N 2.239 111.028 108.800 -0.018 0.000 2.305 289 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.287 289 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.287 289 G C 1.102 175.972 174.900 -0.050 0.000 1.036 289 G CA 0.991 46.086 45.100 -0.009 0.000 0.887 289 G HN 0.264 nan 8.290 nan 0.000 0.505 290 T N -0.062 114.415 114.554 -0.127 0.000 2.653 290 T HA -0.180 4.169 4.350 -0.000 0.000 0.268 290 T C 1.533 175.983 174.700 -0.416 0.000 1.035 290 T CA 1.920 63.826 62.100 -0.325 0.000 1.154 290 T CB -0.225 68.299 68.868 -0.574 0.000 0.862 290 T HN 0.424 nan 8.240 nan 0.000 0.441 291 F N 1.408 121.397 119.950 0.065 0.000 2.668 291 F HA 0.327 4.854 4.527 -0.001 0.000 0.297 291 F C 1.779 177.602 175.800 0.040 0.000 1.124 291 F CA -1.035 56.975 58.000 0.017 0.000 1.353 291 F CB -0.541 38.390 39.000 -0.114 0.000 0.992 291 F HN 0.113 nan 8.300 nan 0.000 0.524 292 R N -0.245 120.331 120.500 0.125 0.000 2.159 292 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 292 R C 0.660 177.003 176.300 0.073 0.000 1.131 292 R CA 1.727 57.881 56.100 0.091 0.000 0.982 292 R CB -0.439 29.873 30.300 0.020 0.000 0.868 292 R HN 0.113 nan 8.270 nan 0.000 0.453 293 N N 0.926 119.654 118.700 0.047 0.000 2.205 293 N HA 0.056 4.796 4.740 -0.000 0.000 0.201 293 N C 0.109 175.664 175.510 0.075 0.000 1.128 293 N CA 0.387 53.461 53.050 0.040 0.000 0.867 293 N CB 0.977 39.447 38.487 -0.028 0.000 0.996 293 N HN 0.207 nan 8.380 nan 0.000 0.503 294 V N -0.891 119.090 119.914 0.110 0.000 2.811 294 V HA 0.236 4.356 4.120 -0.000 0.000 0.302 294 V C 0.737 176.879 176.094 0.080 0.000 1.063 294 V CA -0.092 62.263 62.300 0.091 0.000 1.088 294 V CB 1.293 33.176 31.823 0.100 0.000 0.982 294 V HN -0.082 nan 8.190 nan 0.000 0.485 295 D N 2.304 122.736 120.400 0.053 0.000 2.259 295 D HA 0.122 4.762 4.640 -0.000 0.000 0.216 295 D C 0.165 176.512 176.300 0.079 0.000 0.961 295 D CA 1.066 55.100 54.000 0.057 0.000 0.878 295 D CB 0.187 41.000 40.800 0.023 0.000 1.009 295 D HN 0.756 nan 8.370 nan 0.000 0.490 296 N N -0.814 117.922 118.700 0.060 0.000 2.229 296 N HA 0.409 5.149 4.740 -0.000 0.000 0.298 296 N C -1.628 173.927 175.510 0.074 0.000 1.114 296 N CA -0.571 52.527 53.050 0.080 0.000 0.776 296 N CB 2.324 40.835 38.487 0.040 0.000 1.501 296 N HN -0.136 nan 8.380 nan 0.000 0.474 297 F N 2.091 121.975 119.950 -0.109 0.000 2.539 297 F HA 0.597 5.125 4.527 0.002 0.000 0.328 297 F C -1.375 174.342 175.800 -0.139 0.000 1.148 297 F CA -0.646 57.224 58.000 -0.217 0.000 0.940 297 F CB 0.762 39.546 39.000 -0.360 0.000 1.194 297 F HN 0.323 nan 8.300 nan 0.000 0.438 298 I N 5.572 125.935 120.570 -0.344 0.000 2.378 298 I HA 0.380 4.550 4.170 -0.000 0.000 0.291 298 I C -0.771 175.181 176.117 -0.275 0.000 0.992 298 I CA -0.605 60.577 61.300 -0.197 0.000 1.154 298 I CB 1.866 39.784 38.000 -0.137 0.000 1.315 298 I HN 0.559 nan 8.210 nan 0.000 0.448 299 Q N 6.763 126.517 119.800 -0.076 0.000 2.353 299 Q HA 0.681 5.021 4.340 -0.000 0.000 0.268 299 Q C -1.652 174.355 176.000 0.013 0.000 1.045 299 Q CA -0.667 55.148 55.803 0.019 0.000 0.811 299 Q CB 2.430 31.310 28.738 0.236 0.000 1.305 299 Q HN 0.630 nan 8.270 nan 0.000 0.447 300 I N 3.058 123.622 120.570 -0.009 0.000 2.436 300 I HA 0.498 4.668 4.170 -0.000 0.000 0.289 300 I C -0.855 175.247 176.117 -0.025 0.000 1.010 300 I CA -0.538 60.746 61.300 -0.027 0.000 1.098 300 I CB 1.870 39.838 38.000 -0.052 0.000 1.266 300 I HN 0.622 nan 8.210 nan 0.000 0.434 301 D N 4.237 124.629 120.400 -0.012 0.000 2.663 301 D HA 0.248 4.888 4.640 -0.000 0.000 0.233 301 D C -0.109 176.185 176.300 -0.010 0.000 1.240 301 D CA -0.408 53.586 54.000 -0.009 0.000 0.774 301 D CB 2.416 43.228 40.800 0.021 0.000 1.443 301 D HN 0.416 nan 8.370 nan 0.000 0.441 302 I N -0.828 119.737 120.570 -0.009 0.000 3.728 302 I HA 0.304 4.474 4.170 -0.000 0.000 0.307 302 I C 0.426 176.536 176.117 -0.011 0.000 1.276 302 I CA 0.105 61.397 61.300 -0.014 0.000 1.285 302 I CB -0.139 37.856 38.000 -0.008 0.000 1.038 302 I HN 0.044 nan 8.210 nan 0.000 0.445 303 D N 1.737 122.138 120.400 0.001 0.000 2.392 303 D HA 0.325 4.965 4.640 -0.000 0.000 0.228 303 D C -1.851 174.455 176.300 0.009 0.000 1.074 303 D CA -2.507 51.495 54.000 0.005 0.000 0.838 303 D CB 2.058 42.867 40.800 0.014 0.000 1.067 303 D HN -0.130 nan 8.370 nan 0.000 0.511 304 P HA -0.117 nan 4.420 nan 0.000 0.217 304 P C 0.953 178.261 177.300 0.012 0.000 1.148 304 P CA 1.142 64.243 63.100 0.002 0.000 0.828 304 P CB 0.256 31.952 31.700 -0.008 0.000 0.783 305 A N -1.327 121.501 122.820 0.013 0.000 2.070 305 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 305 A C 1.936 179.539 177.584 0.031 0.000 1.159 305 A CA 1.412 53.460 52.037 0.017 0.000 0.656 305 A CB -1.054 17.954 19.000 0.014 0.000 0.800 305 A HN 0.080 nan 8.150 nan 0.000 0.453 306 M N -0.592 119.034 119.600 0.044 0.000 2.510 306 M HA 0.240 4.720 4.480 -0.000 0.000 0.256 306 M C 0.263 176.619 176.300 0.093 0.000 1.132 306 M CA 0.346 55.691 55.300 0.075 0.000 1.105 306 M CB -0.833 31.818 32.600 0.086 0.000 1.375 306 M HN 0.221 nan 8.290 nan 0.000 0.477 307 L N 1.390 122.652 121.223 0.065 0.000 2.597 307 L HA 0.169 4.509 4.340 -0.000 0.000 0.271 307 L C 1.263 178.159 176.870 0.042 0.000 1.157 307 L CA 0.219 55.097 54.840 0.064 0.000 0.928 307 L CB -0.696 41.383 42.059 0.034 0.000 1.216 307 L HN 0.672 nan 8.230 nan 0.000 0.481 308 G N 2.479 111.310 108.800 0.053 0.000 2.143 308 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.249 308 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.249 308 G C 1.028 175.906 174.900 -0.036 0.000 0.981 308 G CA 0.550 45.636 45.100 -0.024 0.000 0.665 308 G HN 0.732 nan 8.290 nan 0.000 0.528 309 K N -0.133 120.276 120.400 0.015 0.000 2.031 309 K HA 0.039 4.359 4.320 -0.000 0.000 0.205 309 K C 2.471 179.059 176.600 -0.020 0.000 1.049 309 K CA 1.020 57.314 56.287 0.012 0.000 0.939 309 K CB -0.144 32.392 32.500 0.059 0.000 0.717 309 K HN 0.231 nan 8.250 nan 0.000 0.438 310 R N -0.277 120.209 120.500 -0.023 0.000 2.276 310 R HA 0.096 4.436 4.340 -0.000 0.000 0.196 310 R C 0.318 176.503 176.300 -0.191 0.000 0.961 310 R CA 0.448 56.517 56.100 -0.053 0.000 1.024 310 R CB 0.006 30.327 30.300 0.035 0.000 0.940 310 R HN 0.398 nan 8.270 nan 0.000 0.480 311 H N -1.156 117.584 119.070 -0.549 0.000 3.043 311 H HA 0.025 4.582 4.556 0.000 0.000 0.317 311 H C -1.357 173.604 175.328 -0.612 0.000 1.321 311 H CA -0.862 54.747 56.048 -0.732 0.000 1.243 311 H CB 0.969 29.819 29.762 -1.520 0.000 1.924 311 H HN 0.112 nan 8.280 nan 0.000 0.527 312 H N 1.856 120.545 119.070 -0.634 0.000 3.001 312 H HA 0.433 4.989 4.556 0.000 0.000 0.334 312 H C -0.868 174.436 175.328 -0.040 0.000 1.034 312 H CA 0.777 56.662 56.048 -0.271 0.000 1.420 312 H CB 0.351 29.952 29.762 -0.268 0.000 1.405 312 H HN 0.604 nan 8.280 nan 0.000 0.593 313 A N 4.801 127.282 122.820 -0.565 0.000 2.271 313 A HA 0.202 4.522 4.320 -0.000 0.000 0.317 313 A C 0.647 177.995 177.584 -0.393 0.000 1.245 313 A CA -0.555 51.360 52.037 -0.203 0.000 0.857 313 A CB 0.557 19.550 19.000 -0.012 0.000 1.175 313 A HN 0.978 nan 8.150 nan 0.000 0.512 314 D N 1.025 121.362 120.400 -0.106 0.000 2.234 314 D HA 0.035 4.675 4.640 -0.000 0.000 0.205 314 D C -0.035 176.254 176.300 -0.020 0.000 0.962 314 D CA 1.449 55.436 54.000 -0.021 0.000 0.855 314 D CB 0.454 41.302 40.800 0.080 0.000 0.951 314 D HN 0.269 nan 8.370 nan 0.000 0.500 315 V N 0.565 120.468 119.914 -0.018 0.000 2.668 315 V HA 0.558 4.678 4.120 -0.000 0.000 0.304 315 V C -0.782 175.304 176.094 -0.013 0.000 1.071 315 V CA -0.967 61.323 62.300 -0.016 0.000 0.894 315 V CB 2.006 33.819 31.823 -0.017 0.000 1.008 315 V HN 0.044 nan 8.190 nan 0.000 0.425 316 A N 6.042 128.854 122.820 -0.013 0.000 2.330 316 A HA 0.922 5.242 4.320 -0.000 0.000 0.313 316 A C -0.919 176.660 177.584 -0.008 0.000 1.124 316 A CA -0.440 51.595 52.037 -0.002 0.000 0.774 316 A CB 0.846 19.844 19.000 -0.004 0.000 1.198 316 A HN 0.769 nan 8.150 nan 0.000 0.465 317 I N 3.141 123.706 120.570 -0.008 0.000 2.382 317 I HA 0.244 4.414 4.170 -0.000 0.000 0.285 317 I C -0.872 175.236 176.117 -0.016 0.000 1.007 317 I CA -0.658 60.632 61.300 -0.017 0.000 1.142 317 I CB 1.706 39.691 38.000 -0.026 0.000 1.289 317 I HN 0.574 nan 8.210 nan 0.000 0.453 318 L N 7.399 128.610 121.223 -0.019 0.000 2.260 318 L HA 0.888 5.228 4.340 -0.000 0.000 0.289 318 L C 0.187 177.038 176.870 -0.032 0.000 1.057 318 L CA 0.585 55.411 54.840 -0.023 0.000 0.811 318 L CB 0.583 42.628 42.059 -0.025 0.000 1.184 318 L HN 0.761 nan 8.230 nan 0.000 0.429 319 G N 3.211 111.991 108.800 -0.033 0.000 2.356 319 G HA2 0.068 4.028 3.960 -0.000 0.000 0.300 319 G HA3 0.068 4.028 3.960 -0.000 0.000 0.300 319 G C -1.653 173.222 174.900 -0.041 0.000 1.331 319 G CA -0.742 44.335 45.100 -0.039 0.000 0.905 319 G HN 0.694 nan 8.290 nan 0.000 0.587 320 D N 0.132 120.505 120.400 -0.045 0.000 2.458 320 D HA 0.477 5.117 4.640 -0.000 0.000 0.243 320 D C 1.547 177.787 176.300 -0.100 0.000 1.146 320 D CA 1.053 55.018 54.000 -0.059 0.000 0.877 320 D CB 1.309 42.074 40.800 -0.058 0.000 1.176 320 D HN 0.864 nan 8.370 nan 0.000 0.461 321 A N 4.059 126.817 122.820 -0.102 0.000 1.972 321 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 321 A C 2.150 179.592 177.584 -0.237 0.000 1.169 321 A CA 1.853 53.817 52.037 -0.122 0.000 0.635 321 A CB -0.876 18.082 19.000 -0.069 0.000 0.810 321 A HN 0.703 nan 8.150 nan 0.000 0.446 322 A N 0.066 122.595 122.820 -0.485 0.000 1.845 322 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 322 A C 2.164 179.534 177.584 -0.356 0.000 1.195 322 A CA 1.573 53.110 52.037 -0.833 0.000 0.616 322 A CB -0.734 17.368 19.000 -1.497 0.000 0.832 322 A HN 0.476 nan 8.150 nan 0.000 0.443 323 L N -0.824 120.256 121.223 -0.238 0.000 2.046 323 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 323 L C 3.106 179.915 176.870 -0.100 0.000 1.077 323 L CA 1.135 55.898 54.840 -0.128 0.000 0.747 323 L CB -0.701 41.306 42.059 -0.085 0.000 0.896 323 L HN 0.471 nan 8.230 nan 0.000 0.432 324 A N 0.319 123.077 122.820 -0.103 0.000 1.877 324 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 324 A C 2.185 179.727 177.584 -0.069 0.000 1.186 324 A CA 1.350 53.342 52.037 -0.075 0.000 0.620 324 A CB -0.481 18.477 19.000 -0.069 0.000 0.822 324 A HN 0.255 nan 8.150 nan 0.000 0.443 325 I N 0.556 121.074 120.570 -0.086 0.000 2.226 325 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 325 I C 1.772 177.859 176.117 -0.050 0.000 1.100 325 I CA 1.617 62.880 61.300 -0.060 0.000 1.374 325 I CB -1.460 36.505 38.000 -0.059 0.000 1.057 325 I HN 0.285 nan 8.210 nan 0.000 0.413 326 D N 0.687 121.048 120.400 -0.065 0.000 2.117 326 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 326 D C 2.158 178.437 176.300 -0.035 0.000 0.987 326 D CA 0.995 54.968 54.000 -0.045 0.000 0.829 326 D CB -0.058 40.712 40.800 -0.051 0.000 0.961 326 D HN 0.304 nan 8.370 nan 0.000 0.460 327 E N 0.343 120.520 120.200 -0.039 0.000 2.072 327 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 327 E C 2.514 179.098 176.600 -0.026 0.000 0.985 327 E CA 0.294 56.675 56.400 -0.031 0.000 0.801 327 E CB -0.156 29.525 29.700 -0.032 0.000 0.750 327 E HN 0.396 nan 8.360 nan 0.000 0.452 328 I N 0.834 121.386 120.570 -0.029 0.000 2.179 328 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 328 I C 2.561 178.666 176.117 -0.020 0.000 1.088 328 I CA 0.584 61.869 61.300 -0.024 0.000 1.357 328 I CB -0.271 37.715 38.000 -0.025 0.000 1.051 328 I HN 0.087 nan 8.210 nan 0.000 0.409 329 L N 1.512 122.724 121.223 -0.019 0.000 2.043 329 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 329 L C 2.093 178.953 176.870 -0.017 0.000 1.075 329 L CA 2.195 57.025 54.840 -0.016 0.000 0.752 329 L CB -0.958 41.093 42.059 -0.014 0.000 0.891 329 L HN 0.265 nan 8.230 nan 0.000 0.432 330 N N -0.847 117.843 118.700 -0.017 0.000 2.244 330 N HA -0.171 4.569 4.740 -0.000 0.000 0.183 330 N C 1.704 177.204 175.510 -0.015 0.000 1.016 330 N CA 1.523 54.564 53.050 -0.015 0.000 0.866 330 N CB -0.010 38.468 38.487 -0.015 0.000 0.980 330 N HN 0.413 nan 8.380 nan 0.000 0.430 331 K N -0.120 120.270 120.400 -0.016 0.000 2.284 331 K HA 0.088 4.408 4.320 -0.000 0.000 0.198 331 K C 0.391 176.981 176.600 -0.016 0.000 1.048 331 K CA 0.285 56.563 56.287 -0.015 0.000 0.987 331 K CB 0.290 32.781 32.500 -0.015 0.000 0.800 331 K HN 0.155 nan 8.250 nan 0.000 0.486 332 V N 0.976 120.879 119.914 -0.017 0.000 3.096 332 V HA 0.070 4.190 4.120 -0.000 0.000 0.306 332 V C -0.185 175.897 176.094 -0.020 0.000 1.088 332 V CA -0.735 61.554 62.300 -0.018 0.000 1.129 332 V CB 0.588 32.400 31.823 -0.018 0.000 1.014 332 V HN -0.005 nan 8.190 nan 0.000 0.486 333 D N 2.165 122.552 120.400 -0.021 0.000 2.304 333 D HA 0.571 5.211 4.640 -0.000 0.000 0.250 333 D C 0.412 176.692 176.300 -0.032 0.000 1.107 333 D CA 0.504 54.489 54.000 -0.023 0.000 0.885 333 D CB 1.529 42.317 40.800 -0.020 0.000 1.192 333 D HN 1.118 nan 8.370 nan 0.000 0.436 334 A N 1.794 124.592 122.820 -0.037 0.000 2.407 334 A HA 0.406 4.726 4.320 -0.000 0.000 0.248 334 A C -0.203 177.345 177.584 -0.059 0.000 1.082 334 A CA -0.373 51.632 52.037 -0.053 0.000 0.785 334 A CB 0.556 19.526 19.000 -0.050 0.000 1.020 334 A HN 0.358 nan 8.150 nan 0.000 0.489 335 V N 2.867 122.729 119.914 -0.087 0.000 2.407 335 V HA 0.196 4.316 4.120 -0.000 0.000 0.291 335 V C 0.655 176.675 176.094 -0.122 0.000 1.018 335 V CA -0.296 61.950 62.300 -0.090 0.000 0.842 335 V CB 1.026 32.794 31.823 -0.092 0.000 0.996 335 V HN 1.130 nan 8.190 nan 0.000 0.426 336 E N 2.365 122.514 120.200 -0.084 0.000 2.033 336 E HA 0.002 4.352 4.350 -0.000 0.000 0.189 336 E C 0.717 177.264 176.600 -0.088 0.000 0.979 336 E CA 0.674 57.025 56.400 -0.083 0.000 0.802 336 E CB 0.492 30.165 29.700 -0.046 0.000 0.763 336 E HN 0.628 nan 8.360 nan 0.000 0.449 337 E N 0.522 120.691 120.200 -0.051 0.000 2.288 337 E HA 0.314 4.664 4.350 -0.000 0.000 0.268 337 E C -1.618 174.994 176.600 0.020 0.000 0.885 337 E CA -0.477 55.915 56.400 -0.014 0.000 0.767 337 E CB 2.223 31.932 29.700 0.015 0.000 1.220 337 E HN -0.027 nan 8.360 nan 0.000 0.427 338 S N 2.037 117.788 115.700 0.086 0.000 2.626 338 S HA 0.506 4.976 4.470 -0.000 0.000 0.275 338 S C 0.195 174.941 174.600 0.243 0.000 1.175 338 S CA 0.204 58.507 58.200 0.172 0.000 0.982 338 S CB 0.958 64.287 63.200 0.214 0.000 1.093 338 S HN 0.576 nan 8.310 nan 0.000 0.472 339 A N 5.159 128.107 122.820 0.213 0.000 1.933 339 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 339 A C 1.819 179.568 177.584 0.275 0.000 1.175 339 A CA 1.280 53.437 52.037 0.199 0.000 0.628 339 A CB -0.903 18.191 19.000 0.156 0.000 0.814 339 A HN 1.031 nan 8.150 nan 0.000 0.444 340 W N -0.342 121.042 121.300 0.140 0.000 2.335 340 W HA -0.205 4.455 4.660 -0.001 0.000 0.311 340 W C 2.119 178.775 176.519 0.228 0.000 1.213 340 W CA 1.584 59.032 57.345 0.171 0.000 1.274 340 W CB -0.447 29.110 29.460 0.161 0.000 1.148 340 W HN 0.608 nan 8.180 nan 0.000 0.498 341 W N 2.018 123.317 121.300 -0.003 0.000 2.379 341 W HA -0.192 4.468 4.660 -0.000 0.000 0.307 341 W C 2.060 178.484 176.519 -0.158 0.000 1.200 341 W CA 2.501 59.745 57.345 -0.167 0.000 1.297 341 W CB -0.865 28.572 29.460 -0.038 0.000 1.140 341 W HN -0.218 nan 8.180 nan 0.000 0.507 342 T N 1.674 116.308 114.554 0.135 0.000 2.684 342 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 342 T C 2.093 176.726 174.700 -0.111 0.000 1.036 342 T CA 2.402 64.502 62.100 -0.001 0.000 1.148 342 T CB -0.817 68.108 68.868 0.093 0.000 0.863 342 T HN 0.242 nan 8.240 nan 0.000 0.436 343 A N 2.237 125.036 122.820 -0.035 0.000 1.902 343 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 343 A C 2.313 179.890 177.584 -0.013 0.000 1.181 343 A CA 1.479 53.526 52.037 0.017 0.000 0.623 343 A CB -0.637 18.406 19.000 0.072 0.000 0.818 343 A HN 0.435 nan 8.150 nan 0.000 0.443 344 N N -0.363 118.209 118.700 -0.213 0.000 2.142 344 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 344 N C 1.565 176.765 175.510 -0.517 0.000 1.023 344 N CA 1.361 54.144 53.050 -0.445 0.000 0.852 344 N CB -0.315 37.718 38.487 -0.756 0.000 0.998 344 N HN 0.303 nan 8.380 nan 0.000 0.424 345 L N 1.937 122.798 121.223 -0.604 0.000 2.083 345 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 345 L C 2.186 178.800 176.870 -0.427 0.000 1.083 345 L CA 1.546 56.037 54.840 -0.582 0.000 0.752 345 L CB -0.375 41.310 42.059 -0.623 0.000 0.899 345 L HN 0.075 nan 8.230 nan 0.000 0.433 346 K N -1.105 119.036 120.400 -0.431 0.000 2.103 346 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 346 K C 1.928 178.083 176.600 -0.743 0.000 1.052 346 K CA 1.191 57.141 56.287 -0.561 0.000 0.945 346 K CB -0.209 31.897 32.500 -0.657 0.000 0.722 346 K HN 0.197 nan 8.250 nan 0.000 0.443 347 N N 1.419 119.742 118.700 -0.629 0.000 2.120 347 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 347 N C 1.556 176.964 175.510 -0.170 0.000 1.024 347 N CA 1.113 53.965 53.050 -0.330 0.000 0.852 347 N CB -0.020 38.398 38.487 -0.116 0.000 1.003 347 N HN 0.094 nan 8.380 nan 0.000 0.424 348 I N 0.069 120.507 120.570 -0.221 0.000 2.179 348 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 348 I C 2.276 178.397 176.117 0.006 0.000 1.088 348 I CA 1.084 62.340 61.300 -0.074 0.000 1.357 348 I CB -0.462 37.435 38.000 -0.172 0.000 1.051 348 I HN 0.172 nan 8.210 nan 0.000 0.409 349 A N 0.825 123.576 122.820 -0.115 0.000 1.908 349 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 349 A C 2.186 179.758 177.584 -0.020 0.000 1.181 349 A CA 2.224 54.211 52.037 -0.083 0.000 0.627 349 A CB -1.100 17.816 19.000 -0.140 0.000 0.818 349 A HN 0.580 nan 8.150 nan 0.000 0.445 350 N N -1.246 117.447 118.700 -0.012 0.000 2.104 350 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 350 N C 1.880 177.483 175.510 0.156 0.000 1.024 350 N CA 1.728 54.835 53.050 0.095 0.000 0.853 350 N CB -0.325 38.282 38.487 0.201 0.000 1.008 350 N HN 0.823 nan 8.380 nan 0.000 0.424 351 W N 1.993 123.288 121.300 -0.010 0.000 2.381 351 W HA -0.089 4.571 4.660 0.000 0.000 0.301 351 W C 1.805 178.312 176.519 -0.020 0.000 1.205 351 W CA 0.780 58.125 57.345 0.001 0.000 1.285 351 W CB -0.218 29.229 29.460 -0.021 0.000 1.133 351 W HN 0.100 nan 8.180 nan 0.000 0.521 352 R N 0.142 120.614 120.500 -0.048 0.000 2.120 352 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 352 R C 2.100 178.290 176.300 -0.182 0.000 1.123 352 R CA 1.391 57.379 56.100 -0.186 0.000 0.975 352 R CB -0.286 29.991 30.300 -0.038 0.000 0.866 352 R HN 0.100 nan 8.270 nan 0.000 0.446 353 E N 0.028 120.171 120.200 -0.094 0.000 2.077 353 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 353 E C 1.696 178.226 176.600 -0.117 0.000 0.989 353 E CA 1.152 57.508 56.400 -0.074 0.000 0.800 353 E CB -0.333 29.359 29.700 -0.014 0.000 0.746 353 E HN 0.370 nan 8.360 nan 0.000 0.452 354 Y N 1.597 121.729 120.300 -0.280 0.000 2.114 354 Y HA -0.205 4.345 4.550 0.000 0.000 0.284 354 Y C 2.142 177.754 175.900 -0.480 0.000 1.143 354 Y CA 1.334 59.220 58.100 -0.356 0.000 1.135 354 Y CB -0.294 37.931 38.460 -0.391 0.000 0.980 354 Y HN -0.080 nan 8.280 nan 0.000 0.499 355 I N 0.887 120.991 120.570 -0.777 0.000 2.226 355 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 355 I C 2.179 178.013 176.117 -0.473 0.000 1.100 355 I CA 1.860 62.681 61.300 -0.800 0.000 1.374 355 I CB -1.637 35.876 38.000 -0.812 0.000 1.057 355 I HN 0.390 nan 8.210 nan 0.000 0.413 356 N N 1.684 120.190 118.700 -0.324 0.000 2.166 356 N HA -0.236 4.504 4.740 -0.000 0.000 0.186 356 N C 1.938 177.321 175.510 -0.213 0.000 1.019 356 N CA 1.832 54.770 53.050 -0.187 0.000 0.856 356 N CB -0.208 38.215 38.487 -0.107 0.000 0.993 356 N HN 0.341 nan 8.380 nan 0.000 0.426 357 M N -0.292 119.150 119.600 -0.263 0.000 2.117 357 M HA -0.021 4.458 4.480 -0.000 0.000 0.262 357 M C 1.591 177.706 176.300 -0.307 0.000 1.065 357 M CA 1.605 56.762 55.300 -0.239 0.000 1.114 357 M CB -0.699 31.773 32.600 -0.212 0.000 1.361 357 M HN 0.126 nan 8.290 nan 0.000 0.408 358 L N -0.057 120.869 121.223 -0.495 0.000 2.056 358 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 358 L C 2.511 179.177 176.870 -0.339 0.000 1.078 358 L CA 1.537 56.029 54.840 -0.580 0.000 0.749 358 L CB -0.882 40.482 42.059 -1.158 0.000 0.901 358 L HN 0.447 nan 8.230 nan 0.000 0.433 359 E N -0.360 119.678 120.200 -0.271 0.000 2.106 359 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 359 E C 1.606 178.138 176.600 -0.113 0.000 0.984 359 E CA 1.696 58.006 56.400 -0.150 0.000 0.806 359 E CB -0.091 29.541 29.700 -0.113 0.000 0.750 359 E HN 0.520 nan 8.360 nan 0.000 0.458 360 T N -0.866 113.617 114.554 -0.119 0.000 3.206 360 T HA 0.173 4.523 4.350 -0.000 0.000 0.253 360 T C 0.353 175.005 174.700 -0.079 0.000 1.042 360 T CA -0.410 61.639 62.100 -0.084 0.000 0.931 360 T CB -0.022 68.805 68.868 -0.069 0.000 1.029 360 T HN -0.132 nan 8.240 nan 0.000 0.564 361 K N 1.351 121.695 120.400 -0.093 0.000 2.440 361 K HA 0.110 4.430 4.320 -0.000 0.000 0.270 361 K C 0.818 177.384 176.600 -0.056 0.000 0.980 361 K CA 0.152 56.392 56.287 -0.078 0.000 0.953 361 K CB 0.721 33.171 32.500 -0.083 0.000 0.925 361 K HN 0.380 nan 8.250 nan 0.000 0.497 362 E N 1.234 121.406 120.200 -0.046 0.000 2.201 362 E HA -0.010 4.340 4.350 -0.000 0.000 0.193 362 E C -0.261 176.321 176.600 -0.031 0.000 0.957 362 E CA 0.670 57.049 56.400 -0.035 0.000 0.858 362 E CB 0.538 30.220 29.700 -0.030 0.000 0.816 362 E HN 0.500 nan 8.360 nan 0.000 0.475 363 E N -0.838 119.342 120.200 -0.034 0.000 2.429 363 E HA 0.580 4.930 4.350 -0.000 0.000 0.276 363 E C -0.427 176.153 176.600 -0.034 0.000 0.953 363 E CA -0.613 55.769 56.400 -0.030 0.000 0.787 363 E CB 2.507 32.192 29.700 -0.025 0.000 1.307 363 E HN 0.151 nan 8.360 nan 0.000 0.458 364 G N 1.170 109.952 108.800 -0.031 0.000 2.343 364 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.465 364 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.465 364 G C -1.590 173.289 174.900 -0.035 0.000 1.282 364 G CA -1.073 44.007 45.100 -0.034 0.000 0.996 364 G HN 0.446 nan 8.290 nan 0.000 0.521 365 D N 0.184 120.561 120.400 -0.037 0.000 2.458 365 D HA 0.351 4.991 4.640 -0.000 0.000 0.243 365 D C 0.862 177.133 176.300 -0.049 0.000 1.146 365 D CA -0.053 53.924 54.000 -0.038 0.000 0.877 365 D CB 1.404 42.181 40.800 -0.039 0.000 1.176 365 D HN 0.540 nan 8.370 nan 0.000 0.461 366 L N 2.752 123.950 121.223 -0.043 0.000 2.499 366 L HA -0.015 4.325 4.340 -0.000 0.000 0.273 366 L C 0.095 176.909 176.870 -0.095 0.000 1.195 366 L CA 0.853 55.661 54.840 -0.053 0.000 0.882 366 L CB 0.171 42.215 42.059 -0.025 0.000 1.133 366 L HN 0.300 nan 8.230 nan 0.000 0.483 367 Q N 3.459 123.161 119.800 -0.162 0.000 2.416 367 Q HA 0.262 4.602 4.340 -0.000 0.000 0.279 367 Q C 0.490 176.232 176.000 -0.429 0.000 1.101 367 Q CA -0.537 55.043 55.803 -0.373 0.000 0.830 367 Q CB 1.413 29.882 28.738 -0.447 0.000 1.402 367 Q HN 0.667 nan 8.270 nan 0.000 0.445 368 F N -1.000 118.643 119.950 -0.511 0.000 2.333 368 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 368 F C 1.119 176.668 175.800 -0.419 0.000 1.083 368 F CA 0.862 58.509 58.000 -0.588 0.000 1.395 368 F CB -0.695 37.663 39.000 -1.070 0.000 1.056 368 F HN 0.503 nan 8.300 nan 0.000 0.529 369 Y N 1.115 121.142 120.300 -0.455 0.000 2.165 369 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 369 Y C 2.434 178.168 175.900 -0.278 0.000 1.155 369 Y CA 1.641 59.480 58.100 -0.435 0.000 1.164 369 Y CB -1.402 36.768 38.460 -0.483 0.000 0.978 369 Y HN 0.154 nan 8.280 nan 0.000 0.513 370 Q N -0.541 119.222 119.800 -0.063 0.000 2.311 370 Q HA -0.038 4.302 4.340 -0.000 0.000 0.203 370 Q C 2.282 178.251 176.000 -0.052 0.000 0.954 370 Q CA 0.881 56.650 55.803 -0.057 0.000 0.885 370 Q CB -0.362 28.343 28.738 -0.055 0.000 0.963 370 Q HN 0.336 nan 8.270 nan 0.000 0.471 371 V N -0.439 119.441 119.914 -0.057 0.000 2.379 371 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 371 V C 1.446 177.471 176.094 -0.116 0.000 1.044 371 V CA 1.633 63.893 62.300 -0.066 0.000 1.036 371 V CB -0.558 31.285 31.823 0.034 0.000 0.664 371 V HN 0.395 nan 8.190 nan 0.000 0.453 372 Y N 0.486 120.776 120.300 -0.017 0.000 2.293 372 Y HA -0.194 4.356 4.550 -0.000 0.000 0.291 372 Y C 2.705 178.493 175.900 -0.187 0.000 1.137 372 Y CA 1.696 59.733 58.100 -0.105 0.000 1.202 372 Y CB -0.272 38.101 38.460 -0.145 0.000 0.990 372 Y HN 0.308 nan 8.280 nan 0.000 0.537 373 N N 0.620 119.301 118.700 -0.031 0.000 2.084 373 N HA -0.220 4.520 4.740 -0.000 0.000 0.190 373 N C 1.988 177.454 175.510 -0.073 0.000 1.030 373 N CA 1.265 54.257 53.050 -0.096 0.000 0.849 373 N CB -0.145 38.296 38.487 -0.076 0.000 1.012 373 N HN 0.357 nan 8.380 nan 0.000 0.423 374 A N 1.347 124.155 122.820 -0.020 0.000 1.933 374 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 374 A C 2.280 179.922 177.584 0.098 0.000 1.175 374 A CA 0.790 52.871 52.037 0.074 0.000 0.628 374 A CB -0.527 18.502 19.000 0.048 0.000 0.814 374 A HN 0.372 nan 8.150 nan 0.000 0.444 375 I N 0.021 120.562 120.570 -0.048 0.000 2.179 375 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 375 I C 2.063 178.074 176.117 -0.177 0.000 1.088 375 I CA 1.178 62.354 61.300 -0.207 0.000 1.357 375 I CB -0.508 37.255 38.000 -0.395 0.000 1.051 375 I HN 0.297 nan 8.210 nan 0.000 0.409 376 N N 1.189 119.763 118.700 -0.210 0.000 2.149 376 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 376 N C 1.418 176.835 175.510 -0.153 0.000 1.019 376 N CA 1.203 54.090 53.050 -0.271 0.000 0.857 376 N CB -0.527 37.632 38.487 -0.547 0.000 0.997 376 N HN 0.391 nan 8.380 nan 0.000 0.426 377 N N 0.052 118.677 118.700 -0.126 0.000 2.494 377 N HA -0.044 4.696 4.740 -0.000 0.000 0.182 377 N C 0.703 175.994 175.510 -0.364 0.000 1.076 377 N CA 0.641 53.565 53.050 -0.210 0.000 0.908 377 N CB 0.061 38.403 38.487 -0.241 0.000 0.967 377 N HN 0.505 nan 8.380 nan 0.000 0.449 378 H N -1.294 117.798 119.070 0.038 0.000 3.440 378 H HA 0.346 4.902 4.556 -0.000 0.000 0.259 378 H C 0.274 175.721 175.328 0.198 0.000 1.120 378 H CA -0.207 55.906 56.048 0.108 0.000 1.191 378 H CB 0.877 30.717 29.762 0.131 0.000 1.537 378 H HN 0.019 nan 8.280 nan 0.000 0.547 379 A N 1.559 124.544 122.820 0.275 0.000 2.407 379 A HA 0.150 4.470 4.320 -0.000 0.000 0.248 379 A C -0.036 177.684 177.584 0.226 0.000 1.082 379 A CA -0.346 51.898 52.037 0.346 0.000 0.785 379 A CB 0.382 19.460 19.000 0.130 0.000 1.020 379 A HN 0.057 nan 8.150 nan 0.000 0.489 380 D N 0.634 121.178 120.400 0.239 0.000 2.368 380 D HA 0.109 4.749 4.640 -0.000 0.000 0.240 380 D C 1.509 177.891 176.300 0.135 0.000 1.169 380 D CA 0.357 54.445 54.000 0.147 0.000 0.906 380 D CB 0.680 41.547 40.800 0.112 0.000 1.187 380 D HN 0.740 nan 8.370 nan 0.000 0.435 381 E N 0.357 120.624 120.200 0.111 0.000 2.338 381 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 381 E C 0.262 176.931 176.600 0.116 0.000 1.007 381 E CA 0.860 57.332 56.400 0.120 0.000 0.849 381 E CB 0.000 29.765 29.700 0.107 0.000 0.774 381 E HN 0.367 nan 8.360 nan 0.000 0.506 382 D N 0.888 121.337 120.400 0.082 0.000 2.501 382 D HA 0.207 4.847 4.640 -0.000 0.000 0.226 382 D C 0.187 176.496 176.300 0.015 0.000 1.198 382 D CA -0.310 53.720 54.000 0.049 0.000 0.830 382 D CB 0.100 40.906 40.800 0.010 0.000 1.014 382 D HN 0.248 nan 8.370 nan 0.000 0.496 383 A N 0.686 123.530 122.820 0.040 0.000 2.555 383 A HA 0.322 4.642 4.320 -0.000 0.000 0.233 383 A C 0.328 177.797 177.584 -0.192 0.000 1.060 383 A CA 0.066 52.070 52.037 -0.056 0.000 0.759 383 A CB 0.106 19.074 19.000 -0.052 0.000 0.995 383 A HN 0.404 nan 8.150 nan 0.000 0.506 384 I N 1.095 121.516 120.570 -0.249 0.000 2.377 384 I HA 0.321 4.491 4.170 -0.000 0.000 0.293 384 I C -1.185 174.759 176.117 -0.288 0.000 0.987 384 I CA -0.251 60.920 61.300 -0.215 0.000 1.185 384 I CB 1.297 39.108 38.000 -0.316 0.000 1.341 384 I HN 0.609 nan 8.210 nan 0.000 0.455 385 Y N 3.934 124.344 120.300 0.185 0.000 2.328 385 Y HA 0.307 4.857 4.550 0.000 0.000 0.333 385 Y C 0.387 176.355 175.900 0.114 0.000 0.958 385 Y CA -0.559 57.632 58.100 0.151 0.000 1.167 385 Y CB 1.922 40.456 38.460 0.123 0.000 1.151 385 Y HN 0.399 nan 8.280 nan 0.000 0.470 386 S N 5.258 121.090 115.700 0.218 0.000 2.448 386 S HA 0.574 5.043 4.470 -0.000 0.000 0.320 386 S C -0.834 173.776 174.600 0.016 0.000 1.071 386 S CA -0.603 57.714 58.200 0.196 0.000 1.113 386 S CB -0.259 63.066 63.200 0.209 0.000 0.972 386 S HN 0.457 nan 8.310 nan 0.000 0.465 387 I N 4.215 124.659 120.570 -0.210 0.000 2.377 387 I HA 0.405 4.575 4.170 -0.000 0.000 0.293 387 I C 0.722 176.752 176.117 -0.145 0.000 0.987 387 I CA -0.686 60.466 61.300 -0.247 0.000 1.185 387 I CB 1.404 39.011 38.000 -0.655 0.000 1.341 387 I HN 0.594 nan 8.210 nan 0.000 0.455 388 D N 3.574 123.955 120.400 -0.031 0.000 2.433 388 D HA 0.158 4.798 4.640 -0.000 0.000 0.255 388 D C 1.007 177.300 176.300 -0.011 0.000 1.226 388 D CA -0.105 53.891 54.000 -0.006 0.000 1.015 388 D CB 2.368 43.190 40.800 0.038 0.000 1.091 388 D HN 0.363 nan 8.370 nan 0.000 0.527 389 V N -1.148 118.755 119.914 -0.019 0.000 3.623 389 V HA 0.331 4.451 4.120 -0.000 0.000 0.271 389 V C 0.962 176.977 176.094 -0.132 0.000 1.248 389 V CA 0.214 62.479 62.300 -0.059 0.000 1.156 389 V CB -0.367 31.416 31.823 -0.066 0.000 0.870 389 V HN 0.374 nan 8.190 nan 0.000 0.453 390 G N 0.584 109.348 108.800 -0.059 0.000 2.651 390 G HA2 0.074 4.034 3.960 -0.000 0.000 0.260 390 G HA3 0.074 4.034 3.960 -0.000 0.000 0.260 390 G C 0.585 175.404 174.900 -0.134 0.000 1.216 390 G CA 0.281 45.345 45.100 -0.060 0.000 0.913 390 G HN 0.387 nan 8.290 nan 0.000 0.535 391 N N -1.129 117.550 118.700 -0.035 0.000 2.106 391 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 391 N C 2.450 177.899 175.510 -0.102 0.000 1.029 391 N CA 1.566 54.655 53.050 0.065 0.000 0.848 391 N CB -0.043 38.676 38.487 0.387 0.000 1.007 391 N HN 0.473 nan 8.380 nan 0.000 0.423 392 S N -0.662 114.912 115.700 -0.210 0.000 2.447 392 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 392 S C 1.921 176.370 174.600 -0.251 0.000 1.006 392 S CA 1.541 59.386 58.200 -0.592 0.000 0.957 392 S CB -0.619 62.160 63.200 -0.702 0.000 0.773 392 S HN 0.548 nan 8.310 nan 0.000 0.507 393 T N -1.466 113.115 114.554 0.045 0.000 2.983 393 T HA 0.125 4.475 4.350 -0.000 0.000 0.250 393 T C 1.882 176.699 174.700 0.195 0.000 1.037 393 T CA 0.240 62.485 62.100 0.242 0.000 1.142 393 T CB -0.363 68.628 68.868 0.205 0.000 0.876 393 T HN 0.154 nan 8.240 nan 0.000 0.455 394 Q N 0.981 120.843 119.800 0.104 0.000 2.224 394 Q HA -0.016 4.323 4.340 -0.000 0.000 0.203 394 Q C 2.292 178.362 176.000 0.117 0.000 0.970 394 Q CA 1.300 57.206 55.803 0.172 0.000 0.865 394 Q CB -0.991 27.795 28.738 0.080 0.000 0.922 394 Q HN 0.532 nan 8.270 nan 0.000 0.445 395 T N 0.848 115.412 114.554 0.016 0.000 3.155 395 T HA -0.056 4.294 4.350 -0.000 0.000 0.264 395 T C 1.751 176.363 174.700 -0.147 0.000 1.160 395 T CA 0.941 63.020 62.100 -0.034 0.000 1.075 395 T CB -0.079 68.747 68.868 -0.070 0.000 0.921 395 T HN 0.489 nan 8.240 nan 0.000 0.533 396 S N 1.570 117.167 115.700 -0.172 0.000 2.440 396 S HA -0.148 4.322 4.470 -0.000 0.000 0.238 396 S C 1.844 176.209 174.600 -0.391 0.000 1.010 396 S CA 1.264 59.157 58.200 -0.511 0.000 0.972 396 S CB -0.833 62.351 63.200 -0.026 0.000 0.774 396 S HN 0.721 nan 8.310 nan 0.000 0.501 397 I N -0.321 120.039 120.570 -0.349 0.000 3.176 397 I HA 0.164 4.334 4.170 -0.000 0.000 0.275 397 I C 2.072 177.919 176.117 -0.449 0.000 1.298 397 I CA 0.570 61.444 61.300 -0.709 0.000 1.445 397 I CB -0.598 36.624 38.000 -1.297 0.000 1.075 397 I HN 0.085 nan 8.210 nan 0.000 0.482 398 R N -0.512 119.757 120.500 -0.385 0.000 2.254 398 R HA 0.149 4.489 4.340 -0.000 0.000 0.195 398 R C 1.368 177.196 176.300 -0.787 0.000 0.957 398 R CA 0.552 56.312 56.100 -0.566 0.000 1.024 398 R CB -0.153 29.774 30.300 -0.622 0.000 0.952 398 R HN 0.550 nan 8.270 nan 0.000 0.484 399 H N -0.343 118.532 119.070 -0.325 0.000 2.521 399 H HA 0.191 4.746 4.556 -0.000 0.000 0.267 399 H C 0.554 175.672 175.328 -0.349 0.000 0.963 399 H CA -0.138 55.713 56.048 -0.327 0.000 1.175 399 H CB 0.296 29.828 29.762 -0.384 0.000 1.450 399 H HN -0.042 nan 8.280 nan 0.000 0.472 400 L N 3.129 124.184 121.223 -0.281 0.000 2.559 400 L HA -0.029 4.311 4.340 -0.000 0.000 0.274 400 L C 0.229 176.985 176.870 -0.190 0.000 1.205 400 L CA 0.528 55.167 54.840 -0.335 0.000 0.907 400 L CB 0.177 41.981 42.059 -0.425 0.000 1.153 400 L HN 0.189 nan 8.230 nan 0.000 0.490 401 H N 4.676 123.468 119.070 -0.463 0.000 2.855 401 H HA 0.267 4.823 4.556 -0.000 0.000 0.238 401 H C -0.047 175.095 175.328 -0.309 0.000 1.847 401 H CA -0.629 54.907 56.048 -0.852 0.000 1.368 401 H CB 0.111 28.873 29.762 -1.666 0.000 1.758 401 H HN 0.521 nan 8.280 nan 0.000 0.546 402 M N 1.211 120.913 119.600 0.170 0.000 2.283 402 M HA 0.290 4.770 4.480 -0.000 0.000 0.314 402 M C 0.645 177.183 176.300 0.395 0.000 1.153 402 M CA -0.293 55.165 55.300 0.264 0.000 1.084 402 M CB 1.605 34.332 32.600 0.212 0.000 1.468 402 M HN 0.421 nan 8.290 nan 0.000 0.474 403 T N -3.064 111.668 114.554 0.296 0.000 2.787 403 T HA 0.436 4.786 4.350 -0.000 0.000 0.297 403 T C -2.642 172.148 174.700 0.150 0.000 1.221 403 T CA -1.507 60.732 62.100 0.231 0.000 1.006 403 T CB 1.405 70.404 68.868 0.219 0.000 1.328 403 T HN 0.272 nan 8.240 nan 0.000 0.509 404 P HA 0.054 nan 4.420 nan 0.000 0.226 404 P C 0.902 178.236 177.300 0.056 0.000 1.146 404 P CA 0.819 63.938 63.100 0.032 0.000 0.773 404 P CB -0.027 31.653 31.700 -0.032 0.000 0.772 405 K N -1.204 119.245 120.400 0.082 0.000 2.365 405 K HA -0.014 4.306 4.320 -0.000 0.000 0.199 405 K C 0.507 177.161 176.600 0.089 0.000 1.045 405 K CA 0.534 56.864 56.287 0.072 0.000 0.962 405 K CB -0.308 32.241 32.500 0.081 0.000 0.759 405 K HN 0.347 nan 8.250 nan 0.000 0.469 406 N N 0.014 118.805 118.700 0.152 0.000 2.476 406 N HA 0.358 5.098 4.740 -0.000 0.000 0.276 406 N C -0.710 174.942 175.510 0.237 0.000 1.204 406 N CA -0.314 52.869 53.050 0.220 0.000 0.974 406 N CB 1.041 39.747 38.487 0.365 0.000 1.204 406 N HN -0.149 nan 8.380 nan 0.000 0.543 407 M N 0.858 120.649 119.600 0.319 0.000 2.326 407 M HA 0.279 4.759 4.480 -0.000 0.000 0.292 407 M C -1.888 174.777 176.300 0.609 0.000 1.081 407 M CA -0.473 55.069 55.300 0.404 0.000 0.919 407 M CB 2.440 35.280 32.600 0.400 0.000 1.634 407 M HN 0.627 nan 8.290 nan 0.000 0.451 408 W N 5.019 126.534 121.300 0.358 0.000 2.554 408 W HA 0.563 5.222 4.660 -0.001 0.000 0.324 408 W C -1.310 175.350 176.519 0.235 0.000 1.018 408 W CA -0.424 57.132 57.345 0.351 0.000 1.243 408 W CB 1.030 30.637 29.460 0.244 0.000 1.345 408 W HN 0.460 nan 8.180 nan 0.000 0.441 409 R N 3.842 124.385 120.500 0.071 0.000 2.771 409 R HA 0.669 5.009 4.340 -0.000 0.000 0.274 409 R C -0.649 175.433 176.300 -0.363 0.000 0.987 409 R CA -0.744 55.264 56.100 -0.153 0.000 0.908 409 R CB 2.072 31.996 30.300 -0.626 0.000 1.213 409 R HN 0.540 nan 8.270 nan 0.000 0.468 410 T N -1.374 113.041 114.554 -0.232 0.000 2.606 410 T HA 0.282 4.632 4.350 -0.000 0.000 0.289 410 T C -1.150 173.524 174.700 -0.044 0.000 1.113 410 T CA -0.291 61.694 62.100 -0.192 0.000 1.106 410 T CB 1.250 69.969 68.868 -0.248 0.000 1.611 410 T HN 0.350 nan 8.240 nan 0.000 0.471 411 S N 1.991 117.698 115.700 0.011 0.000 2.426 411 S HA 0.469 4.939 4.470 -0.000 0.000 0.236 411 S C -1.761 172.902 174.600 0.106 0.000 1.368 411 S CA -1.576 56.666 58.200 0.070 0.000 1.154 411 S CB 1.169 64.420 63.200 0.085 0.000 1.037 411 S HN 0.522 nan 8.310 nan 0.000 0.481 412 P HA 0.015 nan 4.420 nan 0.000 0.224 412 P C 1.005 178.402 177.300 0.161 0.000 1.157 412 P CA 0.299 63.513 63.100 0.189 0.000 0.799 412 P CB 0.358 32.200 31.700 0.236 0.000 0.809 413 L N -2.286 119.025 121.223 0.147 0.000 2.519 413 L HA 0.318 4.658 4.340 -0.000 0.000 0.194 413 L C 2.247 179.217 176.870 0.166 0.000 1.072 413 L CA 0.713 55.626 54.840 0.122 0.000 0.845 413 L CB -1.278 40.845 42.059 0.108 0.000 1.138 413 L HN -0.272 nan 8.230 nan 0.000 0.487 414 F N 1.849 121.831 119.950 0.054 0.000 2.259 414 F HA 0.265 4.792 4.527 -0.000 0.000 0.298 414 F C 1.527 177.357 175.800 0.051 0.000 1.088 414 F CA 0.681 58.722 58.000 0.067 0.000 1.358 414 F CB -0.310 38.747 39.000 0.095 0.000 1.040 414 F HN 0.216 nan 8.300 nan 0.000 0.505 415 A N 1.108 123.965 122.820 0.062 0.000 2.667 415 A HA -0.235 4.085 4.320 -0.000 0.000 0.298 415 A C 0.709 178.207 177.584 -0.143 0.000 1.483 415 A CA 0.906 52.921 52.037 -0.037 0.000 0.738 415 A CB -2.714 16.258 19.000 -0.047 0.000 1.067 415 A HN 0.490 nan 8.150 nan 0.000 0.451 416 T N 0.762 115.283 114.554 -0.055 0.000 2.851 416 T HA 0.519 4.869 4.350 -0.000 0.000 0.298 416 T C 0.672 175.350 174.700 -0.036 0.000 0.977 416 T CA -0.034 62.026 62.100 -0.066 0.000 1.126 416 T CB -0.071 68.896 68.868 0.165 0.000 0.916 416 T HN 0.462 nan 8.240 nan 0.000 0.529 417 M N 3.820 123.379 119.600 -0.067 0.000 2.243 417 M HA 0.366 4.846 4.480 -0.000 0.000 0.341 417 M C 1.540 177.818 176.300 -0.037 0.000 1.130 417 M CA 0.884 56.156 55.300 -0.047 0.000 1.162 417 M CB 0.810 33.372 32.600 -0.063 0.000 1.497 417 M HN 1.006 nan 8.290 nan 0.000 0.456 418 G N 1.923 110.712 108.800 -0.018 0.000 2.141 418 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.231 418 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.231 418 G C 0.373 175.264 174.900 -0.013 0.000 0.984 418 G CA 0.188 45.272 45.100 -0.026 0.000 0.660 418 G HN 0.704 nan 8.290 nan 0.000 0.525 419 I N 0.884 121.455 120.570 0.001 0.000 2.761 419 I HA 0.406 4.576 4.170 -0.000 0.000 0.261 419 I C 2.639 178.768 176.117 0.021 0.000 1.198 419 I CA 2.029 63.333 61.300 0.007 0.000 1.482 419 I CB -0.204 37.801 38.000 0.008 0.000 1.100 419 I HN 0.405 nan 8.210 nan 0.000 0.445 420 A N 0.806 123.646 122.820 0.032 0.000 1.845 420 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 420 A C 2.320 179.949 177.584 0.075 0.000 1.195 420 A CA 2.153 54.224 52.037 0.057 0.000 0.616 420 A CB -0.986 18.052 19.000 0.063 0.000 0.832 420 A HN 0.437 nan 8.150 nan 0.000 0.443 421 I N 0.440 121.054 120.570 0.073 0.000 2.179 421 I HA -0.167 4.003 4.170 -0.000 0.000 0.242 421 I C -0.405 175.742 176.117 0.049 0.000 1.088 421 I CA 1.589 62.932 61.300 0.072 0.000 1.357 421 I CB -1.051 36.992 38.000 0.071 0.000 1.051 421 I HN 0.293 nan 8.210 nan 0.000 0.409 422 P HA -0.126 nan 4.420 nan 0.000 0.218 422 P C 1.623 178.944 177.300 0.035 0.000 1.149 422 P CA 1.880 64.980 63.100 -0.001 0.000 0.817 422 P CB -0.246 31.429 31.700 -0.041 0.000 0.785 423 G N 0.524 109.379 108.800 0.092 0.000 2.418 423 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 423 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 423 G C 1.901 176.933 174.900 0.220 0.000 1.158 423 G CA 0.973 46.220 45.100 0.245 0.000 0.771 423 G HN 0.372 nan 8.290 nan 0.000 0.545 424 G N 0.672 109.531 108.800 0.099 0.000 2.422 424 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.218 424 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.218 424 G C 1.802 176.706 174.900 0.008 0.000 1.146 424 G CA 0.692 45.798 45.100 0.011 0.000 0.769 424 G HN 0.428 nan 8.290 nan 0.000 0.547 425 L N 0.580 121.831 121.223 0.046 0.000 2.027 425 L HA 0.042 4.382 4.340 -0.000 0.000 0.206 425 L C 3.190 180.117 176.870 0.095 0.000 1.074 425 L CA 1.103 55.984 54.840 0.067 0.000 0.745 425 L CB -0.650 41.465 42.059 0.092 0.000 0.898 425 L HN 0.314 nan 8.230 nan 0.000 0.433 426 G N -0.631 108.225 108.800 0.094 0.000 2.422 426 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 426 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 426 G C 1.737 176.711 174.900 0.123 0.000 1.146 426 G CA 0.819 45.998 45.100 0.132 0.000 0.769 426 G HN 0.467 nan 8.290 nan 0.000 0.547 427 A N 0.665 123.504 122.820 0.032 0.000 1.873 427 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 427 A C 2.228 179.799 177.584 -0.021 0.000 1.186 427 A CA 2.226 54.172 52.037 -0.152 0.000 0.616 427 A CB -0.361 18.208 19.000 -0.717 0.000 0.823 427 A HN 0.303 nan 8.150 nan 0.000 0.442 428 K N 0.628 121.005 120.400 -0.037 0.000 2.148 428 K HA -0.097 4.222 4.320 -0.000 0.000 0.204 428 K C 1.816 178.407 176.600 -0.014 0.000 1.050 428 K CA 1.563 57.841 56.287 -0.015 0.000 0.942 428 K CB -0.474 32.012 32.500 -0.024 0.000 0.724 428 K HN 0.640 nan 8.250 nan 0.000 0.446 429 N N -1.142 117.551 118.700 -0.012 0.000 2.188 429 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 429 N C 0.794 176.247 175.510 -0.095 0.000 1.018 429 N CA 1.549 54.577 53.050 -0.036 0.000 0.858 429 N CB 0.153 38.648 38.487 0.013 0.000 0.989 429 N HN 0.177 nan 8.380 nan 0.000 0.426 430 T N -0.768 113.690 114.554 -0.161 0.000 2.937 430 T HA -0.013 4.337 4.350 -0.000 0.000 0.260 430 T C -0.217 174.089 174.700 -0.657 0.000 1.051 430 T CA 0.932 62.771 62.100 -0.436 0.000 1.141 430 T CB -0.048 68.462 68.868 -0.598 0.000 0.879 430 T HN 0.234 nan 8.240 nan 0.000 0.459 431 Y N 1.198 121.484 120.300 -0.023 0.000 2.748 431 Y HA 0.316 4.866 4.550 -0.000 0.000 0.359 431 Y C -1.931 173.944 175.900 -0.041 0.000 1.030 431 Y CA -3.037 55.045 58.100 -0.030 0.000 1.169 431 Y CB 1.023 39.455 38.460 -0.045 0.000 1.127 431 Y HN 0.023 nan 8.280 nan 0.000 0.644 432 P HA -0.148 nan 4.420 nan 0.000 0.219 432 P C 0.158 177.473 177.300 0.025 0.000 1.146 432 P CA 1.530 64.643 63.100 0.022 0.000 0.808 432 P CB 0.581 32.282 31.700 0.003 0.000 0.779 433 D N -0.973 119.454 120.400 0.046 0.000 2.368 433 D HA 0.097 4.737 4.640 -0.000 0.000 0.218 433 D C 0.751 177.064 176.300 0.022 0.000 1.112 433 D CA 0.112 54.129 54.000 0.029 0.000 0.834 433 D CB 0.126 40.946 40.800 0.033 0.000 0.953 433 D HN 0.187 nan 8.370 nan 0.000 0.505 434 R N 0.895 121.412 120.500 0.028 0.000 2.532 434 R HA 0.251 4.591 4.340 -0.000 0.000 0.295 434 R C -0.170 176.095 176.300 -0.058 0.000 0.968 434 R CA -0.598 55.496 56.100 -0.011 0.000 0.916 434 R CB 1.404 31.693 30.300 -0.017 0.000 1.124 434 R HN -0.087 nan 8.270 nan 0.000 0.463 435 Q N 2.776 122.531 119.800 -0.075 0.000 2.286 435 Q HA 0.207 4.547 4.340 -0.000 0.000 0.267 435 Q C -1.280 174.614 176.000 -0.177 0.000 1.028 435 Q CA -0.126 55.593 55.803 -0.139 0.000 0.901 435 Q CB 0.946 29.639 28.738 -0.074 0.000 1.183 435 Q HN 0.336 nan 8.270 nan 0.000 0.392 436 V N 5.302 125.054 119.914 -0.270 0.000 2.487 436 V HA 0.397 4.517 4.120 -0.000 0.000 0.298 436 V C -1.132 174.787 176.094 -0.292 0.000 1.028 436 V CA -0.700 61.464 62.300 -0.226 0.000 0.860 436 V CB 1.101 32.813 31.823 -0.184 0.000 0.991 436 V HN 0.748 nan 8.190 nan 0.000 0.427 437 W N 3.046 124.214 121.300 -0.221 0.000 2.529 437 W HA 0.588 5.248 4.660 0.000 0.000 0.321 437 W C -0.027 176.466 176.519 -0.044 0.000 1.047 437 W CA -0.582 56.692 57.345 -0.118 0.000 1.216 437 W CB 1.190 30.603 29.460 -0.077 0.000 1.357 437 W HN 0.355 nan 8.180 nan 0.000 0.489 438 N N 3.560 122.369 118.700 0.182 0.000 2.446 438 N HA 0.450 5.190 4.740 -0.000 0.000 0.265 438 N C -1.052 174.516 175.510 0.096 0.000 0.975 438 N CA -0.492 52.629 53.050 0.118 0.000 0.928 438 N CB 1.455 39.984 38.487 0.071 0.000 1.160 438 N HN 0.311 nan 8.380 nan 0.000 0.495 439 I N 3.904 124.534 120.570 0.100 0.000 2.330 439 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 439 I C -0.153 175.976 176.117 0.020 0.000 1.001 439 I CA -0.510 60.811 61.300 0.036 0.000 1.193 439 I CB 0.656 38.757 38.000 0.169 0.000 1.345 439 I HN 0.236 nan 8.210 nan 0.000 0.461 440 I N 4.558 125.077 120.570 -0.084 0.000 2.647 440 I HA 0.573 4.743 4.170 -0.000 0.000 0.295 440 I C 0.453 176.577 176.117 0.012 0.000 1.078 440 I CA -0.790 60.505 61.300 -0.008 0.000 1.048 440 I CB 2.078 40.086 38.000 0.012 0.000 1.239 440 I HN 0.512 nan 8.210 nan 0.000 0.421 441 G N 1.582 110.466 108.800 0.139 0.000 2.476 441 G HA2 0.270 4.230 3.960 -0.000 0.000 0.286 441 G HA3 0.270 4.230 3.960 -0.000 0.000 0.286 441 G C 0.370 175.376 174.900 0.177 0.000 1.177 441 G CA -0.321 44.904 45.100 0.208 0.000 0.870 441 G HN 0.838 nan 8.290 nan 0.000 0.528 442 D N 0.213 120.743 120.400 0.216 0.000 2.149 442 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 442 D C 2.158 178.624 176.300 0.276 0.000 0.990 442 D CA 1.516 55.648 54.000 0.219 0.000 0.839 442 D CB -0.593 40.444 40.800 0.395 0.000 0.948 442 D HN 0.477 nan 8.370 nan 0.000 0.460 443 G N 0.507 109.542 108.800 0.391 0.000 2.421 443 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 443 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 443 G C 1.779 176.803 174.900 0.207 0.000 1.171 443 G CA 1.372 46.732 45.100 0.434 0.000 0.775 443 G HN 0.510 nan 8.290 nan 0.000 0.543 444 A N 0.048 122.971 122.820 0.172 0.000 1.930 444 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 444 A C 2.160 179.816 177.584 0.119 0.000 1.175 444 A CA 1.416 53.511 52.037 0.097 0.000 0.627 444 A CB -0.502 18.550 19.000 0.087 0.000 0.815 444 A HN 0.336 nan 8.150 nan 0.000 0.443 445 F N 1.452 121.396 119.950 -0.011 0.000 2.134 445 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 445 F C 2.429 178.283 175.800 0.089 0.000 1.097 445 F CA 1.633 59.620 58.000 -0.022 0.000 1.264 445 F CB -0.420 38.464 39.000 -0.193 0.000 1.001 445 F HN 0.188 nan 8.300 nan 0.000 0.479 446 S N -0.023 115.749 115.700 0.119 0.000 2.469 446 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 446 S C 1.865 176.308 174.600 -0.262 0.000 0.998 446 S CA 1.179 59.386 58.200 0.011 0.000 0.957 446 S CB -0.340 62.914 63.200 0.090 0.000 0.764 446 S HN 0.409 nan 8.310 nan 0.000 0.514 447 M N 0.464 119.948 119.600 -0.193 0.000 2.509 447 M HA 0.045 4.525 4.480 -0.000 0.000 0.250 447 M C 1.410 177.520 176.300 -0.315 0.000 1.132 447 M CA 0.876 56.035 55.300 -0.235 0.000 1.080 447 M CB 0.069 32.575 32.600 -0.157 0.000 1.408 447 M HN 0.392 nan 8.290 nan 0.000 0.484 448 T N -4.371 109.984 114.554 -0.331 0.000 3.130 448 T HA 0.064 4.414 4.350 -0.000 0.000 0.288 448 T C 1.194 175.694 174.700 -0.333 0.000 0.936 448 T CA -0.459 61.463 62.100 -0.296 0.000 0.897 448 T CB -0.694 68.077 68.868 -0.162 0.000 1.178 448 T HN 0.465 nan 8.240 nan 0.000 0.543 449 Y N 1.436 121.382 120.300 -0.591 0.000 2.465 449 Y HA 0.218 4.768 4.550 -0.000 0.000 0.289 449 Y C -1.258 174.448 175.900 -0.323 0.000 1.150 449 Y CA 0.095 57.740 58.100 -0.758 0.000 1.293 449 Y CB -1.893 35.685 38.460 -1.471 0.000 0.977 449 Y HN 0.229 nan 8.280 nan 0.000 0.556 450 P HA -0.112 nan 4.420 nan 0.000 0.222 450 P C 0.770 178.074 177.300 0.007 0.000 1.147 450 P CA 1.741 64.824 63.100 -0.028 0.000 0.790 450 P CB 0.055 31.692 31.700 -0.105 0.000 0.780 451 D N -1.265 119.123 120.400 -0.020 0.000 2.349 451 D HA -0.001 4.639 4.640 -0.000 0.000 0.224 451 D C 1.576 177.906 176.300 0.051 0.000 1.029 451 D CA 0.291 54.304 54.000 0.022 0.000 0.879 451 D CB 0.238 41.044 40.800 0.010 0.000 0.906 451 D HN 0.001 nan 8.370 nan 0.000 0.528 452 V N 0.539 120.490 119.914 0.061 0.000 2.490 452 V HA -0.172 3.948 4.120 -0.000 0.000 0.250 452 V C 2.462 178.603 176.094 0.078 0.000 1.061 452 V CA 0.869 63.226 62.300 0.094 0.000 1.064 452 V CB -0.101 31.804 31.823 0.136 0.000 0.670 452 V HN 0.119 nan 8.190 nan 0.000 0.461 453 V N -0.011 119.943 119.914 0.067 0.000 2.720 453 V HA -0.240 3.880 4.120 -0.000 0.000 0.256 453 V C 2.382 178.510 176.094 0.056 0.000 1.082 453 V CA 2.658 64.989 62.300 0.051 0.000 1.101 453 V CB -0.342 31.506 31.823 0.041 0.000 0.693 453 V HN 0.694 nan 8.190 nan 0.000 0.479 454 T N 0.599 115.206 114.554 0.088 0.000 2.821 454 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 454 T C 1.595 176.401 174.700 0.178 0.000 1.046 454 T CA 2.020 64.214 62.100 0.157 0.000 1.139 454 T CB -0.409 68.549 68.868 0.149 0.000 0.871 454 T HN 0.607 nan 8.240 nan 0.000 0.454 455 N N 0.557 119.323 118.700 0.110 0.000 2.188 455 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 455 N C 1.805 177.350 175.510 0.059 0.000 1.018 455 N CA 0.720 53.823 53.050 0.087 0.000 0.858 455 N CB -0.343 38.178 38.487 0.056 0.000 0.989 455 N HN 0.127 nan 8.380 nan 0.000 0.426 456 V N 1.002 120.936 119.914 0.035 0.000 2.237 456 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 456 V C 2.368 178.435 176.094 -0.046 0.000 1.046 456 V CA 1.614 63.908 62.300 -0.009 0.000 1.007 456 V CB -0.531 31.287 31.823 -0.008 0.000 0.638 456 V HN 0.313 nan 8.190 nan 0.000 0.445 457 R N -0.797 119.661 120.500 -0.070 0.000 2.103 457 R HA -0.206 4.133 4.340 -0.000 0.000 0.242 457 R C 1.943 178.044 176.300 -0.331 0.000 1.142 457 R CA 2.089 58.059 56.100 -0.217 0.000 0.960 457 R CB -0.256 29.864 30.300 -0.299 0.000 0.858 457 R HN 0.564 nan 8.270 nan 0.000 0.439 458 Y N 0.953 121.231 120.300 -0.035 0.000 2.470 458 Y HA 0.213 4.763 4.550 -0.000 0.000 0.284 458 Y C 0.030 175.903 175.900 -0.045 0.000 1.188 458 Y CA -0.271 57.803 58.100 -0.043 0.000 1.269 458 Y CB 0.174 38.602 38.460 -0.054 0.000 1.094 458 Y HN 0.123 nan 8.280 nan 0.000 0.518 459 N N 0.981 119.702 118.700 0.035 0.000 2.714 459 N HA -0.224 4.516 4.740 -0.000 0.000 0.253 459 N C -0.723 174.799 175.510 0.019 0.000 1.024 459 N CA 1.023 54.074 53.050 0.001 0.000 0.726 459 N CB -1.220 37.256 38.487 -0.019 0.000 0.908 459 N HN 0.444 nan 8.380 nan 0.000 0.542 460 M N 0.597 120.217 119.600 0.032 0.000 2.634 460 M HA 0.198 4.678 4.480 -0.000 0.000 0.211 460 M C -2.306 173.991 176.300 -0.005 0.000 1.019 460 M CA -1.338 53.972 55.300 0.017 0.000 0.834 460 M CB 1.576 34.198 32.600 0.036 0.000 1.376 460 M HN -0.151 nan 8.290 nan 0.000 0.465 461 P HA 0.108 nan 4.420 nan 0.000 0.262 461 P C -0.648 176.603 177.300 -0.081 0.000 1.199 461 P CA 0.143 63.216 63.100 -0.044 0.000 0.763 461 P CB 0.642 32.316 31.700 -0.045 0.000 0.790 462 V N 1.943 121.805 119.914 -0.086 0.000 3.102 462 V HA 0.611 4.731 4.120 -0.000 0.000 0.312 462 V C -0.280 175.703 176.094 -0.185 0.000 1.135 462 V CA -1.315 60.898 62.300 -0.145 0.000 1.022 462 V CB 2.277 34.049 31.823 -0.086 0.000 1.056 462 V HN 0.260 nan 8.190 nan 0.000 0.436 463 I N 2.730 123.118 120.570 -0.303 0.000 2.354 463 I HA 0.411 4.580 4.170 -0.000 0.000 0.286 463 I C -0.406 175.622 176.117 -0.148 0.000 1.007 463 I CA -0.338 60.765 61.300 -0.329 0.000 1.167 463 I CB 1.055 38.595 38.000 -0.766 0.000 1.320 463 I HN 0.633 nan 8.210 nan 0.000 0.458 464 N N 6.510 125.154 118.700 -0.094 0.000 2.414 464 N HA 0.257 4.997 4.740 -0.000 0.000 0.256 464 N C -0.713 174.692 175.510 -0.175 0.000 1.029 464 N CA -0.261 52.734 53.050 -0.091 0.000 0.948 464 N CB 2.482 40.930 38.487 -0.065 0.000 1.102 464 N HN 0.215 nan 8.380 nan 0.000 0.496 465 V N 3.253 123.051 119.914 -0.192 0.000 2.328 465 V HA 0.243 4.363 4.120 -0.000 0.000 0.278 465 V C 0.229 175.972 176.094 -0.585 0.000 1.021 465 V CA -0.686 61.408 62.300 -0.342 0.000 0.838 465 V CB 1.419 33.066 31.823 -0.292 0.000 0.999 465 V HN 0.275 nan 8.190 nan 0.000 0.447 466 V N 5.905 125.446 119.914 -0.623 0.000 2.370 466 V HA 0.465 4.585 4.120 -0.000 0.000 0.283 466 V C -0.364 175.445 176.094 -0.474 0.000 1.023 466 V CA -0.477 61.433 62.300 -0.651 0.000 0.857 466 V CB 1.437 32.727 31.823 -0.889 0.000 0.985 466 V HN 0.671 nan 8.190 nan 0.000 0.443 467 F N 2.688 122.559 119.950 -0.131 0.000 2.390 467 F HA 0.413 4.940 4.527 0.000 0.000 0.361 467 F C 0.890 176.709 175.800 0.033 0.000 1.124 467 F CA -0.058 57.915 58.000 -0.044 0.000 1.149 467 F CB 1.202 40.182 39.000 -0.033 0.000 1.160 467 F HN 0.391 nan 8.300 nan 0.000 0.501 468 S N 2.498 118.348 115.700 0.251 0.000 2.449 468 S HA 0.284 4.754 4.470 -0.000 0.000 0.310 468 S C 0.126 174.851 174.600 0.208 0.000 1.096 468 S CA -0.798 57.570 58.200 0.279 0.000 1.095 468 S CB 0.984 64.381 63.200 0.329 0.000 1.007 468 S HN 0.743 nan 8.310 nan 0.000 0.474 469 N N -0.528 118.281 118.700 0.182 0.000 2.193 469 N HA 0.020 4.760 4.740 -0.000 0.000 0.236 469 N C -0.166 175.308 175.510 -0.059 0.000 1.347 469 N CA 0.058 53.146 53.050 0.063 0.000 0.812 469 N CB -0.349 38.168 38.487 0.050 0.000 1.297 469 N HN 0.538 nan 8.380 nan 0.000 0.499 470 T N -1.252 113.273 114.554 -0.048 0.000 3.704 470 T HA -0.281 4.069 4.350 -0.000 0.000 0.388 470 T C -0.433 173.636 174.700 -1.052 0.000 0.763 470 T CA 1.335 63.135 62.100 -0.500 0.000 2.005 470 T CB -2.569 66.145 68.868 -0.256 0.000 1.752 470 T HN 0.914 nan 8.240 nan 0.000 0.747 471 E N -1.004 118.505 120.200 -1.152 0.000 2.377 471 E HA 0.306 4.656 4.350 -0.000 0.000 0.277 471 E C -1.525 174.872 176.600 -0.339 0.000 1.190 471 E CA -1.326 54.559 56.400 -0.858 0.000 0.917 471 E CB -0.286 29.156 29.700 -0.431 0.000 1.296 471 E HN 0.111 nan 8.360 nan 0.000 0.417 472 Y N 0.937 121.236 120.300 -0.001 0.000 2.801 472 Y HA 0.460 5.010 4.550 -0.000 0.000 0.340 472 Y C 1.639 177.607 175.900 0.113 0.000 1.088 472 Y CA 0.156 58.334 58.100 0.130 0.000 1.444 472 Y CB -0.369 38.183 38.460 0.153 0.000 1.251 472 Y HN 0.837 nan 8.280 nan 0.000 0.522 473 A N 0.977 123.899 122.820 0.170 0.000 2.268 473 A HA -0.444 3.876 4.320 -0.000 0.000 0.292 473 A C 1.936 179.642 177.584 0.204 0.000 4.069 473 A CA 2.821 54.946 52.037 0.147 0.000 1.021 473 A CB -1.702 17.381 19.000 0.139 0.000 0.480 473 A HN 0.482 nan 8.150 nan 0.000 0.425 474 F N 0.545 120.553 119.950 0.098 0.000 2.053 474 F HA -0.310 4.218 4.527 0.001 0.000 0.295 474 F C 2.246 178.131 175.800 0.142 0.000 1.102 474 F CA 2.526 60.589 58.000 0.105 0.000 1.225 474 F CB -0.565 38.496 39.000 0.102 0.000 0.961 474 F HN 0.397 nan 8.300 nan 0.000 0.495 475 I N -0.127 120.623 120.570 0.300 0.000 2.076 475 I HA -0.380 3.790 4.170 -0.000 0.000 0.237 475 I C 2.532 178.720 176.117 0.119 0.000 1.059 475 I CA 2.110 63.553 61.300 0.239 0.000 1.317 475 I CB -0.781 37.380 38.000 0.269 0.000 1.037 475 I HN 0.105 nan 8.210 nan 0.000 0.398 476 K N 1.247 121.615 120.400 -0.053 0.000 2.211 476 K HA -0.195 4.125 4.320 -0.000 0.000 0.204 476 K C 1.696 178.299 176.600 0.005 0.000 1.047 476 K CA 1.739 57.905 56.287 -0.201 0.000 0.935 476 K CB -0.192 32.206 32.500 -0.170 0.000 0.728 476 K HN 0.446 nan 8.250 nan 0.000 0.452 477 N N 0.065 118.789 118.700 0.040 0.000 2.188 477 N HA -0.157 4.583 4.740 -0.000 0.000 0.184 477 N C 1.671 177.208 175.510 0.044 0.000 1.018 477 N CA 0.779 53.858 53.050 0.047 0.000 0.858 477 N CB -0.008 38.499 38.487 0.033 0.000 0.989 477 N HN 0.044 nan 8.380 nan 0.000 0.426 478 K N 0.751 121.162 120.400 0.017 0.000 2.167 478 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 478 K C 1.378 178.065 176.600 0.145 0.000 1.052 478 K CA 1.013 57.308 56.287 0.013 0.000 0.956 478 K CB -0.348 32.100 32.500 -0.085 0.000 0.735 478 K HN 0.129 nan 8.250 nan 0.000 0.451 479 Y N 1.867 122.169 120.300 0.003 0.000 2.114 479 Y HA -0.213 4.339 4.550 0.003 0.000 0.282 479 Y C 1.642 177.565 175.900 0.038 0.000 1.165 479 Y CA 2.007 60.128 58.100 0.035 0.000 1.148 479 Y CB -0.439 38.056 38.460 0.057 0.000 0.972 479 Y HN 0.281 nan 8.280 nan 0.000 0.504 480 E N -0.408 119.917 120.200 0.209 0.000 2.455 480 E HA -0.173 4.177 4.350 -0.000 0.000 0.202 480 E C 0.854 177.516 176.600 0.103 0.000 1.045 480 E CA 1.046 57.528 56.400 0.136 0.000 0.872 480 E CB -0.049 29.721 29.700 0.116 0.000 0.792 480 E HN 0.617 nan 8.360 nan 0.000 0.542 481 D N -0.784 119.669 120.400 0.088 0.000 3.234 481 D HA -0.052 4.588 4.640 -0.000 0.000 0.281 481 D C 2.033 178.357 176.300 0.041 0.000 1.405 481 D CA 1.337 55.376 54.000 0.065 0.000 1.115 481 D CB -0.431 40.404 40.800 0.058 0.000 1.198 481 D HN 0.132 nan 8.370 nan 0.000 0.388 482 T N -0.795 113.768 114.554 0.016 0.000 3.072 482 T HA 0.008 4.358 4.350 -0.000 0.000 0.266 482 T C 0.481 175.152 174.700 -0.049 0.000 1.127 482 T CA 0.354 62.445 62.100 -0.015 0.000 1.107 482 T CB -0.173 68.674 68.868 -0.034 0.000 0.910 482 T HN -0.110 nan 8.240 nan 0.000 0.513 483 N N 0.415 119.088 118.700 -0.045 0.000 2.269 483 N HA 0.445 5.185 4.740 -0.000 0.000 0.304 483 N C -0.184 175.341 175.510 0.025 0.000 1.072 483 N CA -0.858 52.159 53.050 -0.055 0.000 0.802 483 N CB 1.902 40.290 38.487 -0.164 0.000 1.348 483 N HN 0.088 nan 8.380 nan 0.000 0.484 484 K N 0.518 120.933 120.400 0.024 0.000 2.469 484 K HA 0.180 4.500 4.320 -0.000 0.000 0.201 484 K C -0.094 176.545 176.600 0.065 0.000 1.028 484 K CA 0.110 56.423 56.287 0.044 0.000 1.170 484 K CB -0.024 32.494 32.500 0.030 0.000 0.874 484 K HN 0.454 nan 8.250 nan 0.000 0.507 485 N N -0.925 117.832 118.700 0.095 0.000 3.657 485 N HA 0.387 5.127 4.740 -0.000 0.000 0.320 485 N C -0.679 174.973 175.510 0.236 0.000 1.445 485 N CA -0.496 52.636 53.050 0.137 0.000 0.625 485 N CB 0.509 39.069 38.487 0.121 0.000 3.293 485 N HN -0.051 nan 8.380 nan 0.000 0.536 486 L N -1.674 119.741 121.223 0.320 0.000 1.651 486 L HA 0.478 4.818 4.340 -0.000 0.000 0.082 486 L C -1.424 175.736 176.870 0.483 0.000 1.660 486 L CA 0.445 55.549 54.840 0.439 0.000 1.005 486 L CB -0.674 41.500 42.059 0.191 0.000 1.874 486 L HN 0.588 nan 8.230 nan 0.000 0.416 487 F N 1.660 121.675 119.950 0.108 0.000 2.115 487 F HA 0.291 4.819 4.527 0.001 0.000 0.485 487 F C 0.474 176.310 175.800 0.059 0.000 1.249 487 F CA 1.131 59.182 58.000 0.084 0.000 1.558 487 F CB -0.814 38.255 39.000 0.114 0.000 2.494 487 F HN 1.435 nan 8.300 nan 0.000 0.725 488 G N 4.115 112.456 108.800 -0.766 0.000 2.612 488 G HA2 0.187 4.147 3.960 -0.000 0.000 0.196 488 G HA3 0.187 4.147 3.960 -0.000 0.000 0.196 488 G C 0.164 174.954 174.900 -0.183 0.000 0.125 488 G CA 0.023 44.795 45.100 -0.547 0.000 1.132 488 G HN 2.358 nan 8.290 nan 0.000 0.536 489 V N 1.789 121.585 119.914 -0.197 0.000 5.056 489 V HA 0.170 4.290 4.120 -0.000 0.000 0.637 489 V C 0.058 175.899 176.094 -0.423 0.000 2.120 489 V CA 1.040 63.233 62.300 -0.179 0.000 2.849 489 V CB -0.384 31.290 31.823 -0.248 0.000 1.004 489 V HN 0.807 nan 8.190 nan 0.000 0.485 490 D N 0.274 120.414 120.400 -0.434 0.000 2.654 490 D HA 0.891 5.531 4.640 -0.000 0.000 0.255 490 D C -0.826 175.147 176.300 -0.545 0.000 1.101 490 D CA 0.182 53.762 54.000 -0.700 0.000 1.116 490 D CB 1.742 42.278 40.800 -0.440 0.000 1.348 490 D HN 0.258 nan 8.370 nan 0.000 0.609 491 F N -3.176 116.683 119.950 -0.152 0.000 2.900 491 F HA 0.413 4.940 4.527 -0.000 0.000 0.321 491 F C 0.090 175.852 175.800 -0.064 0.000 1.160 491 F CA -1.416 56.524 58.000 -0.099 0.000 0.890 491 F CB -0.318 38.627 39.000 -0.092 0.000 1.334 491 F HN 0.308 nan 8.300 nan 0.000 0.459 492 T N -2.024 112.687 114.554 0.263 0.000 2.589 492 T HA 0.240 4.590 4.350 -0.000 0.000 0.342 492 T C -0.504 174.302 174.700 0.176 0.000 1.044 492 T CA 0.455 62.639 62.100 0.141 0.000 1.020 492 T CB 0.285 69.197 68.868 0.073 0.000 1.070 492 T HN 0.819 nan 8.240 nan 0.000 0.524 493 D N 0.029 120.465 120.400 0.060 0.000 2.462 493 D HA 0.406 5.046 4.640 -0.000 0.000 0.249 493 D C -0.549 175.684 176.300 -0.112 0.000 1.117 493 D CA -0.512 53.496 54.000 0.014 0.000 0.900 493 D CB 0.377 41.178 40.800 0.003 0.000 1.039 493 D HN 0.488 nan 8.370 nan 0.000 0.516 494 V N 2.821 122.591 119.914 -0.241 0.000 2.715 494 V HA 0.072 4.192 4.120 -0.000 0.000 0.299 494 V C 0.723 176.441 176.094 -0.626 0.000 1.054 494 V CA -0.248 61.791 62.300 -0.434 0.000 1.077 494 V CB 1.311 32.809 31.823 -0.541 0.000 0.972 494 V HN 0.514 nan 8.190 nan 0.000 0.484 495 D N 3.179 123.342 120.400 -0.396 0.000 2.483 495 D HA 0.123 4.763 4.640 -0.000 0.000 0.220 495 D C 0.722 176.861 176.300 -0.268 0.000 1.173 495 D CA 0.057 53.889 54.000 -0.279 0.000 0.964 495 D CB 0.109 40.820 40.800 -0.147 0.000 1.046 495 D HN 0.561 nan 8.370 nan 0.000 0.517 496 Y N 1.651 121.919 120.300 -0.054 0.000 2.333 496 Y HA -0.175 4.375 4.550 -0.000 0.000 0.290 496 Y C 2.440 178.309 175.900 -0.052 0.000 1.144 496 Y CA 0.790 58.853 58.100 -0.060 0.000 1.228 496 Y CB 0.030 38.478 38.460 -0.020 0.000 0.985 496 Y HN 0.485 nan 8.280 nan 0.000 0.542 497 A N 0.476 123.335 122.820 0.066 0.000 1.898 497 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 497 A C 2.175 179.743 177.584 -0.026 0.000 1.181 497 A CA 1.839 53.883 52.037 0.011 0.000 0.620 497 A CB -0.552 18.435 19.000 -0.021 0.000 0.819 497 A HN 0.417 nan 8.150 nan 0.000 0.442 498 K N -0.261 120.114 120.400 -0.042 0.000 2.097 498 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 498 K C 1.788 178.368 176.600 -0.033 0.000 1.050 498 K CA 1.391 57.648 56.287 -0.049 0.000 0.938 498 K CB -0.297 32.167 32.500 -0.059 0.000 0.718 498 K HN 0.503 nan 8.250 nan 0.000 0.442 499 I N 1.021 121.572 120.570 -0.032 0.000 2.226 499 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 499 I C 2.489 178.613 176.117 0.011 0.000 1.100 499 I CA 1.161 62.446 61.300 -0.026 0.000 1.374 499 I CB -0.431 37.505 38.000 -0.106 0.000 1.057 499 I HN 0.262 nan 8.210 nan 0.000 0.413 500 A N 0.523 123.364 122.820 0.035 0.000 1.883 500 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 500 A C 2.241 179.838 177.584 0.021 0.000 1.186 500 A CA 1.641 53.710 52.037 0.053 0.000 0.624 500 A CB -0.487 18.551 19.000 0.064 0.000 0.822 500 A HN 0.370 nan 8.150 nan 0.000 0.444 501 E N -0.155 120.038 120.200 -0.011 0.000 2.077 501 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 501 E C 2.284 178.879 176.600 -0.008 0.000 0.989 501 E CA 1.244 57.629 56.400 -0.025 0.000 0.800 501 E CB -0.580 29.088 29.700 -0.053 0.000 0.746 501 E HN 0.597 nan 8.360 nan 0.000 0.452 502 A N 1.019 123.837 122.820 -0.003 0.000 2.070 502 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 502 A C 1.883 179.476 177.584 0.015 0.000 1.159 502 A CA 1.147 53.187 52.037 0.004 0.000 0.656 502 A CB -0.292 18.712 19.000 0.008 0.000 0.800 502 A HN 0.212 nan 8.150 nan 0.000 0.453 503 Q N -1.903 117.912 119.800 0.024 0.000 2.319 503 Q HA 0.307 4.647 4.340 -0.000 0.000 0.202 503 Q C 1.037 177.050 176.000 0.022 0.000 0.896 503 Q CA 0.342 56.164 55.803 0.032 0.000 0.942 503 Q CB 0.382 29.152 28.738 0.053 0.000 1.083 503 Q HN 0.818 nan 8.270 nan 0.000 0.510 504 G N 0.367 109.178 108.800 0.018 0.000 2.157 504 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.239 504 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.239 504 G C 0.151 175.073 174.900 0.037 0.000 0.982 504 G CA -0.014 45.095 45.100 0.015 0.000 0.650 504 G HN 0.498 nan 8.290 nan 0.000 0.527 505 A N -0.667 122.181 122.820 0.046 0.000 2.261 505 A HA 0.888 5.208 4.320 -0.000 0.000 0.323 505 A C 0.173 177.790 177.584 0.054 0.000 1.107 505 A CA 0.054 52.134 52.037 0.071 0.000 0.883 505 A CB 1.088 20.131 19.000 0.071 0.000 1.251 505 A HN 0.782 nan 8.150 nan 0.000 0.502 506 K N 0.164 120.599 120.400 0.058 0.000 2.240 506 K HA 0.556 4.876 4.320 -0.000 0.000 0.271 506 K C -0.052 176.481 176.600 -0.112 0.000 1.018 506 K CA 0.253 56.498 56.287 -0.071 0.000 0.874 506 K CB 0.860 33.317 32.500 -0.071 0.000 1.098 506 K HN 0.845 nan 8.250 nan 0.000 0.458 507 G N 3.330 111.970 108.800 -0.266 0.000 2.388 507 G HA2 0.677 4.637 3.960 -0.000 0.000 0.330 507 G HA3 0.677 4.637 3.960 -0.000 0.000 0.330 507 G C -1.369 173.254 174.900 -0.462 0.000 1.142 507 G CA -0.522 44.460 45.100 -0.196 0.000 0.908 507 G HN 0.434 nan 8.290 nan 0.000 0.473 508 F N -0.340 119.578 119.950 -0.053 0.000 2.588 508 F HA 0.642 5.168 4.527 -0.000 0.000 0.314 508 F C 0.315 176.085 175.800 -0.050 0.000 1.069 508 F CA -0.689 57.277 58.000 -0.057 0.000 0.931 508 F CB 3.036 41.993 39.000 -0.071 0.000 1.260 508 F HN 0.322 nan 8.300 nan 0.000 0.465 509 T N 2.003 116.640 114.554 0.138 0.000 2.881 509 T HA 0.628 4.978 4.350 -0.000 0.000 0.290 509 T C -1.582 173.153 174.700 0.059 0.000 1.000 509 T CA -0.678 61.463 62.100 0.068 0.000 0.978 509 T CB 1.802 70.686 68.868 0.025 0.000 0.997 509 T HN 0.534 nan 8.240 nan 0.000 0.443 510 V N 2.865 122.801 119.914 0.037 0.000 2.808 510 V HA 0.729 4.849 4.120 -0.000 0.000 0.308 510 V C -0.055 176.047 176.094 0.014 0.000 1.099 510 V CA -0.274 62.037 62.300 0.019 0.000 0.920 510 V CB 2.327 34.152 31.823 0.003 0.000 1.014 510 V HN 1.012 nan 8.190 nan 0.000 0.425 511 S N 4.971 120.675 115.700 0.006 0.000 2.817 511 S HA 0.492 4.962 4.470 -0.000 0.000 0.262 511 S C 0.213 174.809 174.600 -0.008 0.000 1.051 511 S CA -0.550 57.652 58.200 0.003 0.000 1.185 511 S CB 0.234 63.436 63.200 0.003 0.000 1.152 511 S HN 0.723 nan 8.310 nan 0.000 0.653 512 R N 0.278 120.772 120.500 -0.011 0.000 2.686 512 R HA 0.594 4.934 4.340 -0.000 0.000 0.286 512 R C 0.423 176.710 176.300 -0.021 0.000 0.969 512 R CA -0.686 55.403 56.100 -0.017 0.000 0.898 512 R CB 1.318 31.609 30.300 -0.015 0.000 1.183 512 R HN 0.049 nan 8.270 nan 0.000 0.456 513 I N 2.123 122.676 120.570 -0.028 0.000 2.208 513 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 513 I C 2.242 178.344 176.117 -0.024 0.000 1.097 513 I CA 1.425 62.706 61.300 -0.031 0.000 1.363 513 I CB -0.147 37.830 38.000 -0.038 0.000 1.051 513 I HN 0.714 nan 8.210 nan 0.000 0.413 514 E N 0.486 120.674 120.200 -0.021 0.000 2.472 514 E HA -0.207 4.143 4.350 -0.000 0.000 0.200 514 E C 0.568 177.161 176.600 -0.012 0.000 1.046 514 E CA 1.075 57.466 56.400 -0.016 0.000 0.871 514 E CB -0.318 29.373 29.700 -0.015 0.000 0.806 514 E HN 0.538 nan 8.360 nan 0.000 0.533 515 D N -0.004 120.388 120.400 -0.014 0.000 2.417 515 D HA 0.059 4.699 4.640 -0.000 0.000 0.207 515 D C 1.628 177.915 176.300 -0.022 0.000 1.075 515 D CA 0.008 54.000 54.000 -0.012 0.000 0.851 515 D CB 0.026 40.822 40.800 -0.008 0.000 0.976 515 D HN 0.097 nan 8.370 nan 0.000 0.505 516 M N 1.397 120.982 119.600 -0.024 0.000 2.080 516 M HA -0.178 4.302 4.480 -0.000 0.000 0.260 516 M C 1.480 177.754 176.300 -0.044 0.000 1.068 516 M CA 1.627 56.905 55.300 -0.036 0.000 1.109 516 M CB -0.300 32.283 32.600 -0.029 0.000 1.342 516 M HN -0.150 nan 8.290 nan 0.000 0.405 517 D N -0.913 119.482 120.400 -0.009 0.000 2.097 517 D HA -0.214 4.426 4.640 -0.000 0.000 0.195 517 D C 2.171 178.444 176.300 -0.045 0.000 0.989 517 D CA 1.659 55.679 54.000 0.033 0.000 0.827 517 D CB -0.177 40.675 40.800 0.087 0.000 0.966 517 D HN 0.390 nan 8.370 nan 0.000 0.456 518 R N -0.207 120.270 120.500 -0.039 0.000 2.081 518 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 518 R C 2.159 178.381 176.300 -0.129 0.000 1.131 518 R CA 1.276 57.340 56.100 -0.060 0.000 0.960 518 R CB -0.335 29.951 30.300 -0.023 0.000 0.856 518 R HN 0.132 nan 8.270 nan 0.000 0.436 519 V N 1.171 121.009 119.914 -0.127 0.000 2.343 519 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 519 V C 2.396 178.257 176.094 -0.388 0.000 1.051 519 V CA 1.947 64.128 62.300 -0.198 0.000 1.036 519 V CB -0.433 31.321 31.823 -0.115 0.000 0.654 519 V HN 0.411 nan 8.190 nan 0.000 0.451 520 M N 0.757 120.157 119.600 -0.334 0.000 2.159 520 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 520 M C 2.031 177.994 176.300 -0.563 0.000 1.063 520 M CA 2.071 57.131 55.300 -0.399 0.000 1.110 520 M CB -0.812 31.609 32.600 -0.299 0.000 1.374 520 M HN 0.256 nan 8.290 nan 0.000 0.411 521 A N -0.201 122.241 122.820 -0.630 0.000 1.877 521 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 521 A C 2.028 179.440 177.584 -0.287 0.000 1.186 521 A CA 2.034 53.781 52.037 -0.483 0.000 0.620 521 A CB -0.885 17.981 19.000 -0.224 0.000 0.822 521 A HN 0.680 nan 8.150 nan 0.000 0.443 522 E N -0.196 119.831 120.200 -0.289 0.000 2.106 522 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 522 E C 2.314 178.684 176.600 -0.384 0.000 0.984 522 E CA 0.836 57.106 56.400 -0.218 0.000 0.806 522 E CB -0.306 29.352 29.700 -0.070 0.000 0.750 522 E HN 0.613 nan 8.360 nan 0.000 0.458 523 A N 1.184 123.520 122.820 -0.807 0.000 1.902 523 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 523 A C 2.531 179.892 177.584 -0.373 0.000 1.181 523 A CA 1.237 52.767 52.037 -0.845 0.000 0.623 523 A CB -0.687 17.790 19.000 -0.871 0.000 0.818 523 A HN 0.115 nan 8.150 nan 0.000 0.443 524 V N -0.211 119.512 119.914 -0.317 0.000 2.358 524 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 524 V C 3.042 179.057 176.094 -0.133 0.000 1.047 524 V CA 1.850 64.020 62.300 -0.218 0.000 1.035 524 V CB -1.202 30.552 31.823 -0.115 0.000 0.658 524 V HN 0.613 nan 8.190 nan 0.000 0.452 525 A N 0.034 122.790 122.820 -0.106 0.000 1.933 525 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 525 A C 2.411 179.974 177.584 -0.034 0.000 1.175 525 A CA 2.024 54.031 52.037 -0.050 0.000 0.628 525 A CB -0.710 18.268 19.000 -0.036 0.000 0.814 525 A HN 0.563 nan 8.150 nan 0.000 0.444 526 A N 0.100 122.898 122.820 -0.036 0.000 1.930 526 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 526 A C 2.054 179.656 177.584 0.031 0.000 1.175 526 A CA 1.637 53.667 52.037 -0.012 0.000 0.627 526 A CB -0.714 18.331 19.000 0.075 0.000 0.815 526 A HN 0.683 nan 8.150 nan 0.000 0.443 527 N N -0.184 118.499 118.700 -0.029 0.000 2.244 527 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 527 N C 1.424 176.915 175.510 -0.030 0.000 1.016 527 N CA 1.249 54.269 53.050 -0.050 0.000 0.866 527 N CB -0.120 38.255 38.487 -0.187 0.000 0.980 527 N HN 0.494 nan 8.380 nan 0.000 0.430 528 K N 0.021 120.402 120.400 -0.031 0.000 2.432 528 K HA 0.078 4.398 4.320 -0.000 0.000 0.196 528 K C 1.275 177.890 176.600 0.024 0.000 1.038 528 K CA 0.503 56.782 56.287 -0.013 0.000 0.986 528 K CB 0.200 32.692 32.500 -0.015 0.000 0.782 528 K HN 0.156 nan 8.250 nan 0.000 0.485 529 A N 0.324 123.185 122.820 0.068 0.000 2.337 529 A HA 0.285 4.605 4.320 -0.000 0.000 0.227 529 A C 1.198 178.883 177.584 0.168 0.000 1.259 529 A CA 0.494 52.606 52.037 0.125 0.000 0.870 529 A CB -0.200 18.890 19.000 0.150 0.000 0.927 529 A HN 0.338 nan 8.150 nan 0.000 0.497 530 G N -0.979 107.874 108.800 0.089 0.000 2.141 530 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.242 530 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.242 530 G C -0.072 174.790 174.900 -0.063 0.000 0.982 530 G CA 0.411 45.508 45.100 -0.005 0.000 0.662 530 G HN 0.711 nan 8.290 nan 0.000 0.527 531 H N 0.384 119.439 119.070 -0.024 0.000 2.467 531 H HA 0.621 5.177 4.556 -0.000 0.000 0.331 531 H C 0.558 175.871 175.328 -0.025 0.000 1.120 531 H CA 0.386 56.425 56.048 -0.016 0.000 1.270 531 H CB 1.214 30.977 29.762 0.001 0.000 1.466 531 H HN 0.098 nan 8.280 nan 0.000 0.504 532 T N 3.013 117.618 114.554 0.084 0.000 2.869 532 T HA 0.414 4.764 4.350 -0.000 0.000 0.295 532 T C -0.165 174.583 174.700 0.080 0.000 0.987 532 T CA -0.613 61.512 62.100 0.042 0.000 1.109 532 T CB 0.226 69.115 68.868 0.034 0.000 0.932 532 T HN 0.463 nan 8.240 nan 0.000 0.518 533 V N 1.132 121.072 119.914 0.043 0.000 2.960 533 V HA 0.918 5.037 4.120 -0.000 0.000 0.315 533 V C -0.847 175.280 176.094 0.056 0.000 1.087 533 V CA -0.869 61.487 62.300 0.093 0.000 0.982 533 V CB 2.105 33.993 31.823 0.109 0.000 1.039 533 V HN 0.549 nan 8.190 nan 0.000 0.437 534 V N 4.298 124.274 119.914 0.103 0.000 2.482 534 V HA 0.499 4.619 4.120 -0.000 0.000 0.295 534 V C -0.393 175.737 176.094 0.061 0.000 1.026 534 V CA -0.223 62.089 62.300 0.019 0.000 0.856 534 V CB 1.517 33.362 31.823 0.038 0.000 1.001 534 V HN 0.821 nan 8.190 nan 0.000 0.424 535 I N 3.663 124.203 120.570 -0.049 0.000 2.306 535 I HA 0.326 4.496 4.170 -0.000 0.000 0.288 535 I C -0.268 175.782 176.117 -0.111 0.000 1.036 535 I CA -0.303 60.979 61.300 -0.029 0.000 1.221 535 I CB 1.273 39.203 38.000 -0.117 0.000 1.385 535 I HN 0.503 nan 8.210 nan 0.000 0.472 536 D N 6.757 127.143 120.400 -0.024 0.000 2.374 536 D HA 0.144 4.784 4.640 -0.000 0.000 0.240 536 D C -0.662 175.640 176.300 0.003 0.000 1.229 536 D CA -0.234 53.763 54.000 -0.005 0.000 0.895 536 D CB 0.562 41.420 40.800 0.096 0.000 1.046 536 D HN 0.412 nan 8.370 nan 0.000 0.498 537 C N 6.207 125.485 119.300 -0.037 0.000 2.227 537 C HA 0.261 4.721 4.460 -0.000 0.000 0.333 537 C C 0.433 175.479 174.990 0.093 0.000 1.145 537 C CA -1.125 57.904 59.018 0.017 0.000 1.643 537 C CB -0.530 27.211 27.740 0.002 0.000 2.185 537 C HN 0.285 nan 8.230 nan 0.000 0.497 538 K N 4.867 125.310 120.400 0.072 0.000 2.220 538 K HA 0.292 4.612 4.320 -0.000 0.000 0.283 538 K C 0.247 176.883 176.600 0.061 0.000 1.098 538 K CA 0.386 56.717 56.287 0.074 0.000 0.928 538 K CB 0.117 32.643 32.500 0.045 0.000 1.214 538 K HN 0.794 nan 8.250 nan 0.000 0.442 539 I N -1.439 119.182 120.570 0.085 0.000 3.062 539 I HA 0.401 4.571 4.170 -0.000 0.000 0.316 539 I C 0.909 177.031 176.117 0.009 0.000 1.041 539 I CA -0.953 60.372 61.300 0.041 0.000 1.069 539 I CB 1.069 39.109 38.000 0.067 0.000 1.300 539 I HN 0.313 nan 8.210 nan 0.000 0.518 540 T N -0.906 113.625 114.554 -0.038 0.000 2.698 540 T HA 0.074 4.424 4.350 -0.000 0.000 0.295 540 T C 0.601 175.288 174.700 -0.022 0.000 1.007 540 T CA -0.118 61.957 62.100 -0.043 0.000 0.980 540 T CB 0.881 69.704 68.868 -0.075 0.000 1.036 540 T HN 0.851 nan 8.240 nan 0.000 0.526 541 Q N -0.405 119.380 119.800 -0.024 0.000 2.403 541 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 541 Q C -0.354 175.658 176.000 0.021 0.000 0.932 541 Q CA -0.210 55.588 55.803 -0.009 0.000 0.945 541 Q CB -0.027 28.693 28.738 -0.030 0.000 1.045 541 Q HN 0.622 nan 8.270 nan 0.000 0.511 542 D N 1.986 122.387 120.400 0.002 0.000 2.525 542 D HA -0.081 4.559 4.640 -0.000 0.000 0.235 542 D C -0.166 176.239 176.300 0.176 0.000 1.137 542 D CA 0.757 54.778 54.000 0.035 0.000 0.868 542 D CB 0.501 41.266 40.800 -0.059 0.000 1.180 542 D HN 0.263 nan 8.370 nan 0.000 0.465 543 R N 3.229 123.883 120.500 0.257 0.000 2.532 543 R HA 0.346 4.686 4.340 -0.000 0.000 0.295 543 R C -2.570 174.018 176.300 0.481 0.000 0.968 543 R CA -1.647 54.663 56.100 0.349 0.000 0.916 543 R CB 1.469 31.947 30.300 0.296 0.000 1.124 543 R HN 0.163 nan 8.270 nan 0.000 0.463 544 P HA -0.031 nan 4.420 nan 0.000 0.268 544 P C 0.167 177.582 177.300 0.191 0.000 1.204 544 P CA 0.009 63.408 63.100 0.497 0.000 0.768 544 P CB 0.616 32.545 31.700 0.382 0.000 0.842 545 I N 4.807 125.428 120.570 0.085 0.000 2.826 545 I HA -0.046 4.124 4.170 -0.000 0.000 0.295 545 I C -1.989 173.958 176.117 -0.283 0.000 1.213 545 I CA -1.590 59.408 61.300 -0.503 0.000 1.436 545 I CB 0.308 38.167 38.000 -0.235 0.000 1.348 545 I HN 0.207 nan 8.210 nan 0.000 0.570 546 P HA 0.008 nan 4.420 nan 0.000 0.273 546 P C 0.674 177.951 177.300 -0.038 0.000 1.428 546 P CA -0.199 62.816 63.100 -0.140 0.000 0.995 546 P CB 0.505 32.153 31.700 -0.086 0.000 1.286 547 V N 1.461 121.350 119.914 -0.043 0.000 3.380 547 V HA -0.092 4.028 4.120 -0.000 0.000 0.268 547 V C 1.550 177.605 176.094 -0.064 0.000 1.168 547 V CA 1.012 63.285 62.300 -0.045 0.000 1.156 547 V CB -0.957 30.805 31.823 -0.102 0.000 0.785 547 V HN 0.389 nan 8.190 nan 0.000 0.487 548 E N 2.592 122.731 120.200 -0.101 0.000 2.371 548 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 548 E C 0.955 177.556 176.600 0.001 0.000 1.012 548 E CA 1.170 57.526 56.400 -0.075 0.000 0.860 548 E CB -0.143 29.407 29.700 -0.250 0.000 0.811 548 E HN 0.755 nan 8.360 nan 0.000 0.502 549 T N -0.434 114.106 114.554 -0.024 0.000 3.305 549 T HA 0.485 4.835 4.350 -0.000 0.000 0.348 549 T C -0.195 174.377 174.700 -0.213 0.000 1.394 549 T CA -0.635 61.441 62.100 -0.039 0.000 1.549 549 T CB -0.422 68.438 68.868 -0.013 0.000 0.962 549 T HN 0.012 nan 8.240 nan 0.000 0.609 550 L N 2.790 123.895 121.223 -0.196 0.000 2.363 550 L HA 0.353 4.693 4.340 -0.000 0.000 0.286 550 L C 0.710 177.145 176.870 -0.724 0.000 1.106 550 L CA -0.315 54.314 54.840 -0.351 0.000 0.859 550 L CB 0.273 42.285 42.059 -0.079 0.000 1.223 550 L HN 0.429 nan 8.230 nan 0.000 0.446 551 K N 5.521 125.005 120.400 -1.527 0.000 2.333 551 K HA 0.271 4.591 4.320 -0.000 0.000 0.241 551 K C 0.365 176.559 176.600 -0.678 0.000 1.193 551 K CA -0.016 55.396 56.287 -1.459 0.000 1.142 551 K CB 0.503 32.128 32.500 -1.458 0.000 1.731 551 K HN 0.642 nan 8.250 nan 0.000 0.344 552 L N -0.730 120.327 121.223 -0.276 0.000 2.885 552 L HA 0.130 4.470 4.340 -0.000 0.000 0.251 552 L C 0.542 177.428 176.870 0.026 0.000 1.071 552 L CA -0.170 54.639 54.840 -0.051 0.000 0.956 552 L CB 0.465 42.528 42.059 0.006 0.000 1.483 552 L HN 0.389 nan 8.230 nan 0.000 0.525 553 D N 1.116 121.561 120.400 0.075 0.000 2.343 553 D HA 0.013 4.653 4.640 -0.000 0.000 0.255 553 D C 1.112 177.459 176.300 0.077 0.000 1.187 553 D CA 0.235 54.274 54.000 0.065 0.000 0.875 553 D CB 1.654 42.491 40.800 0.061 0.000 1.136 553 D HN 0.114 nan 8.370 nan 0.000 0.469 554 S N 3.205 118.924 115.700 0.031 0.000 2.595 554 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 554 S C 1.163 175.763 174.600 -0.000 0.000 0.974 554 S CA 0.614 58.828 58.200 0.024 0.000 0.942 554 S CB 0.077 63.280 63.200 0.005 0.000 0.766 554 S HN 0.473 nan 8.310 nan 0.000 0.536 555 K N 0.090 120.477 120.400 -0.022 0.000 2.358 555 K HA 0.404 4.724 4.320 -0.000 0.000 0.197 555 K C 0.859 177.404 176.600 -0.092 0.000 1.025 555 K CA 0.036 56.289 56.287 -0.057 0.000 1.104 555 K CB 0.228 32.683 32.500 -0.075 0.000 0.855 555 K HN 0.372 nan 8.250 nan 0.000 0.531 556 L N -0.831 120.338 121.223 -0.090 0.000 2.803 556 L HA 0.258 4.598 4.340 -0.000 0.000 0.246 556 L C -0.310 176.192 176.870 -0.614 0.000 1.100 556 L CA -0.021 54.653 54.840 -0.275 0.000 0.919 556 L CB 0.534 42.502 42.059 -0.150 0.000 1.285 556 L HN -0.007 nan 8.230 nan 0.000 0.522 557 Y N -0.759 119.521 120.300 -0.034 0.000 2.588 557 Y HA 0.345 4.896 4.550 0.001 0.000 0.343 557 Y C 0.466 176.353 175.900 -0.021 0.000 1.065 557 Y CA -1.238 56.843 58.100 -0.032 0.000 1.038 557 Y CB 1.571 39.996 38.460 -0.059 0.000 1.297 557 Y HN -0.140 nan 8.280 nan 0.000 0.467 558 S N -0.359 115.430 115.700 0.150 0.000 2.600 558 S HA 0.095 4.565 4.470 -0.000 0.000 0.265 558 S C 1.045 175.694 174.600 0.082 0.000 1.325 558 S CA -0.122 58.129 58.200 0.084 0.000 1.002 558 S CB 1.296 64.537 63.200 0.068 0.000 0.921 558 S HN 0.924 nan 8.310 nan 0.000 0.554 559 E N 0.687 120.919 120.200 0.053 0.000 2.085 559 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 559 E C 0.966 177.596 176.600 0.050 0.000 0.994 559 E CA 1.727 58.154 56.400 0.045 0.000 0.801 559 E CB -0.221 29.497 29.700 0.030 0.000 0.743 559 E HN 0.757 nan 8.360 nan 0.000 0.453 560 D N 0.413 120.843 120.400 0.050 0.000 2.117 560 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 560 D C 1.788 178.126 176.300 0.063 0.000 0.987 560 D CA 1.052 55.082 54.000 0.049 0.000 0.829 560 D CB -0.134 40.693 40.800 0.044 0.000 0.961 560 D HN 0.380 nan 8.370 nan 0.000 0.460 561 E N 0.425 120.672 120.200 0.078 0.000 2.072 561 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 561 E C 2.420 179.064 176.600 0.073 0.000 0.985 561 E CA 0.467 56.917 56.400 0.082 0.000 0.801 561 E CB 0.006 29.775 29.700 0.115 0.000 0.750 561 E HN 0.303 nan 8.360 nan 0.000 0.452 562 I N 1.231 121.839 120.570 0.064 0.000 2.179 562 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 562 I C 2.347 178.532 176.117 0.113 0.000 1.088 562 I CA 0.919 62.260 61.300 0.069 0.000 1.357 562 I CB -0.278 37.755 38.000 0.055 0.000 1.051 562 I HN 0.005 nan 8.210 nan 0.000 0.409 563 K N 1.166 121.614 120.400 0.079 0.000 2.009 563 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 563 K C 2.251 178.892 176.600 0.068 0.000 1.049 563 K CA 1.832 58.156 56.287 0.063 0.000 0.929 563 K CB -0.654 31.871 32.500 0.042 0.000 0.714 563 K HN 0.342 nan 8.250 nan 0.000 0.440 564 A N 0.463 123.328 122.820 0.074 0.000 1.902 564 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 564 A C 2.203 179.838 177.584 0.086 0.000 1.181 564 A CA 1.414 53.486 52.037 0.059 0.000 0.623 564 A CB -0.810 18.227 19.000 0.062 0.000 0.818 564 A HN 0.411 nan 8.150 nan 0.000 0.443 565 Y N 0.609 120.919 120.300 0.017 0.000 2.145 565 Y HA -0.215 4.336 4.550 0.001 0.000 0.286 565 Y C 2.361 178.325 175.900 0.107 0.000 1.145 565 Y CA 2.300 60.452 58.100 0.086 0.000 1.148 565 Y CB -0.118 38.368 38.460 0.044 0.000 0.981 565 Y HN 0.238 nan 8.280 nan 0.000 0.507 566 K N -0.313 120.185 120.400 0.164 0.000 2.057 566 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 566 K C 2.009 178.602 176.600 -0.011 0.000 1.049 566 K CA 1.668 57.990 56.287 0.058 0.000 0.931 566 K CB -0.187 32.360 32.500 0.077 0.000 0.714 566 K HN 0.240 nan 8.250 nan 0.000 0.440 567 E N 1.343 121.531 120.200 -0.020 0.000 2.051 567 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 567 E C 1.981 178.504 176.600 -0.129 0.000 0.991 567 E CA 1.373 57.741 56.400 -0.054 0.000 0.799 567 E CB -0.008 29.668 29.700 -0.040 0.000 0.748 567 E HN 0.134 nan 8.360 nan 0.000 0.449 568 R N -1.276 119.083 120.500 -0.235 0.000 2.096 568 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 568 R C 0.984 176.931 176.300 -0.587 0.000 1.127 568 R CA 1.424 57.245 56.100 -0.465 0.000 0.968 568 R CB -0.173 29.706 30.300 -0.702 0.000 0.861 568 R HN 0.270 nan 8.270 nan 0.000 0.440 569 Y N 0.818 121.035 120.300 -0.139 0.000 2.571 569 Y HA 0.244 4.794 4.550 -0.001 0.000 0.275 569 Y C -0.291 175.615 175.900 0.009 0.000 1.179 569 Y CA -0.263 57.780 58.100 -0.094 0.000 1.242 569 Y CB 0.201 38.507 38.460 -0.256 0.000 1.126 569 Y HN 0.147 nan 8.280 nan 0.000 0.524 570 E N -0.665 119.570 120.200 0.058 0.000 2.440 570 E HA -0.263 4.087 4.350 -0.000 0.000 0.246 570 E C 0.604 177.318 176.600 0.190 0.000 1.165 570 E CA 0.444 56.890 56.400 0.077 0.000 0.726 570 E CB -1.274 28.443 29.700 0.027 0.000 1.271 570 E HN 0.486 nan 8.360 nan 0.000 0.397 571 A N -0.250 122.618 122.820 0.080 0.000 2.708 571 A HA 0.616 4.936 4.320 -0.000 0.000 0.293 571 A C 1.861 179.432 177.584 -0.022 0.000 1.303 571 A CA 0.481 52.477 52.037 -0.068 0.000 0.949 571 A CB 0.156 18.983 19.000 -0.289 0.000 1.121 571 A HN 0.429 nan 8.150 nan 0.000 0.542 572 A N 0.932 123.766 122.820 0.024 0.000 1.948 572 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 572 A C 1.652 179.250 177.584 0.023 0.000 1.177 572 A CA 1.835 53.887 52.037 0.025 0.000 0.636 572 A CB -0.369 18.643 19.000 0.021 0.000 0.815 572 A HN 0.527 nan 8.150 nan 0.000 0.449 573 N N -0.351 118.366 118.700 0.029 0.000 2.398 573 N HA 0.142 4.882 4.740 -0.000 0.000 0.188 573 N C -0.013 175.521 175.510 0.040 0.000 1.122 573 N CA 0.113 53.185 53.050 0.037 0.000 0.866 573 N CB -0.139 38.378 38.487 0.050 0.000 0.970 573 N HN 0.448 nan 8.380 nan 0.000 0.462 574 L N 1.266 122.487 121.223 -0.002 0.000 2.410 574 L HA 0.165 4.505 4.340 -0.000 0.000 0.273 574 L C -0.077 176.827 176.870 0.057 0.000 1.152 574 L CA -0.168 54.682 54.840 0.017 0.000 0.855 574 L CB 0.929 42.944 42.059 -0.073 0.000 1.129 574 L HN -0.248 nan 8.230 nan 0.000 0.463 575 V N 5.139 125.116 119.914 0.105 0.000 2.417 575 V HA 0.338 4.458 4.120 -0.000 0.000 0.291 575 V C -1.973 174.154 176.094 0.055 0.000 1.024 575 V CA -1.762 60.550 62.300 0.019 0.000 0.861 575 V CB 1.752 33.503 31.823 -0.119 0.000 0.985 575 V HN 0.636 nan 8.190 nan 0.000 0.436 576 P HA -0.011 nan 4.420 nan 0.000 0.268 576 P C 0.684 178.060 177.300 0.127 0.000 1.204 576 P CA -0.010 63.136 63.100 0.077 0.000 0.768 576 P CB 0.721 32.441 31.700 0.032 0.000 0.842 577 F N 4.687 124.681 119.950 0.073 0.000 2.154 577 F HA -0.202 4.325 4.527 -0.001 0.000 0.301 577 F C 2.484 178.332 175.800 0.080 0.000 1.087 577 F CA 1.537 59.617 58.000 0.135 0.000 1.274 577 F CB -0.639 38.431 39.000 0.116 0.000 1.009 577 F HN 0.316 nan 8.300 nan 0.000 0.485 578 R N 0.493 120.967 120.500 -0.044 0.000 2.139 578 R HA -0.196 4.144 4.340 -0.000 0.000 0.243 578 R C 2.163 178.347 176.300 -0.195 0.000 1.145 578 R CA 1.964 57.951 56.100 -0.189 0.000 0.976 578 R CB -0.363 29.863 30.300 -0.124 0.000 0.866 578 R HN 0.434 nan 8.270 nan 0.000 0.449 579 E N -0.809 119.276 120.200 -0.192 0.000 2.077 579 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 579 E C 1.716 178.171 176.600 -0.242 0.000 0.989 579 E CA 1.297 57.548 56.400 -0.248 0.000 0.800 579 E CB -0.105 29.381 29.700 -0.358 0.000 0.746 579 E HN 0.448 nan 8.360 nan 0.000 0.452 580 Y N 0.648 120.904 120.300 -0.072 0.000 2.314 580 Y HA -0.104 4.446 4.550 -0.000 0.000 0.293 580 Y C 2.123 177.933 175.900 -0.152 0.000 1.129 580 Y CA 0.616 58.678 58.100 -0.063 0.000 1.201 580 Y CB -0.327 38.163 38.460 0.050 0.000 0.999 580 Y HN 0.007 nan 8.280 nan 0.000 0.541 581 L N -0.303 120.800 121.223 -0.199 0.000 2.027 581 L HA -0.208 4.132 4.340 -0.000 0.000 0.206 581 L C 2.208 179.028 176.870 -0.084 0.000 1.074 581 L CA 1.574 56.282 54.840 -0.221 0.000 0.745 581 L CB -0.480 41.348 42.059 -0.386 0.000 0.898 581 L HN 0.218 nan 8.230 nan 0.000 0.433 582 E N 0.053 120.196 120.200 -0.095 0.000 2.153 582 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 582 E C 2.196 178.781 176.600 -0.024 0.000 0.988 582 E CA 0.979 57.345 56.400 -0.056 0.000 0.811 582 E CB -0.137 29.521 29.700 -0.071 0.000 0.746 582 E HN 0.493 nan 8.360 nan 0.000 0.466 583 A N 1.355 124.169 122.820 -0.010 0.000 2.067 583 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 583 A C 1.610 179.216 177.584 0.037 0.000 1.158 583 A CA 1.039 53.089 52.037 0.022 0.000 0.661 583 A CB 0.028 19.066 19.000 0.063 0.000 0.801 583 A HN 0.014 nan 8.150 nan 0.000 0.452 584 E N -1.244 118.980 120.200 0.041 0.000 2.465 584 E HA 0.268 4.618 4.350 -0.000 0.000 0.195 584 E C 1.068 177.695 176.600 0.045 0.000 1.028 584 E CA 0.505 56.936 56.400 0.053 0.000 0.899 584 E CB -0.127 29.617 29.700 0.074 0.000 1.032 584 E HN 0.728 nan 8.360 nan 0.000 0.468 585 G N 1.073 109.888 108.800 0.026 0.000 2.157 585 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 585 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 585 G C 0.282 175.193 174.900 0.019 0.000 0.979 585 G CA 0.331 45.444 45.100 0.020 0.000 0.650 585 G HN 0.241 nan 8.290 nan 0.000 0.529 586 L N -0.130 121.105 121.223 0.020 0.000 2.400 586 L HA 0.784 5.124 4.340 -0.000 0.000 0.264 586 L C 0.200 177.062 176.870 -0.014 0.000 1.061 586 L CA -1.049 53.803 54.840 0.020 0.000 0.799 586 L CB 1.046 43.141 42.059 0.060 0.000 1.240 586 L HN -0.012 nan 8.230 nan 0.000 0.461 587 E N 0.330 120.523 120.200 -0.013 0.000 2.288 587 E HA 0.244 4.594 4.350 -0.000 0.000 0.268 587 E C -1.105 175.476 176.600 -0.030 0.000 0.885 587 E CA -0.514 55.866 56.400 -0.033 0.000 0.767 587 E CB 2.241 31.926 29.700 -0.025 0.000 1.220 587 E HN 0.458 nan 8.360 nan 0.000 0.427 588 S N 0.948 116.609 115.700 -0.064 0.000 2.560 588 S HA -0.018 4.452 4.470 -0.000 0.000 0.284 588 S C 1.028 175.625 174.600 -0.005 0.000 1.327 588 S CA -0.012 58.153 58.200 -0.058 0.000 1.055 588 S CB 0.313 63.401 63.200 -0.187 0.000 0.868 588 S HN 0.542 nan 8.310 nan 0.000 0.506 589 K N 3.206 123.665 120.400 0.099 0.000 2.444 589 K HA 0.062 4.382 4.320 -0.000 0.000 0.193 589 K C 0.895 177.612 176.600 0.195 0.000 1.024 589 K CA 0.544 56.905 56.287 0.124 0.000 1.077 589 K CB -0.124 32.455 32.500 0.132 0.000 0.833 589 K HN 0.888 nan 8.250 nan 0.000 0.517 590 Y N -1.507 118.815 120.300 0.036 0.000 2.438 590 Y HA 0.443 4.992 4.550 -0.001 0.000 0.274 590 Y C 0.153 176.066 175.900 0.022 0.000 1.085 590 Y CA -0.990 57.130 58.100 0.033 0.000 1.199 590 Y CB 0.479 38.968 38.460 0.049 0.000 1.317 590 Y HN -0.192 nan 8.280 nan 0.000 0.545 591 I N 4.359 124.553 120.570 -0.627 0.000 2.363 591 I HA 0.192 4.362 4.170 -0.000 0.000 0.292 591 I C 0.169 176.160 176.117 -0.210 0.000 1.075 591 I CA 0.235 61.243 61.300 -0.486 0.000 1.333 591 I CB 0.431 38.104 38.000 -0.546 0.000 1.415 591 I HN 0.402 nan 8.210 nan 0.000 0.502 592 K N 0.000 120.324 120.400 -0.127 0.000 2.780 592 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 592 K CA 0.000 56.242 56.287 -0.075 0.000 0.838 592 K CB 0.000 32.453 32.500 -0.078 0.000 1.064 592 K HN 0.000 nan 8.250 nan 0.000 0.543