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 3l2d_1_A DATA FIRST_RESID 24 DATA SEQUENCE KFKAADNFPD LSKHNNVMAS QLTKELYEKY WDKVTPNGVT FDKCIQTGVD DATA SEQUENCE NPGNKFYGKK TGCVFGDEYS YECYKEFFDK CIEEIHHFKP SDKHPAPDLD DATA SEQUENCE HNKLVGGVFE DKYVKSCRIR CGRSVKGVCL PPAMSRAERR LVEKVVSDAL DATA SEQUENCE GGLKGDLAGK YYPLTTMNEK DQEQLIEDHF LFEKPTGALL TTSGCARDWP DATA SEQUENCE DGRGIWHNNE KNFLVWINEE DHIRVISMQK GGDLKAVFSR FARGLLEVER DATA SEQUENCE LMKECGHGLM HNDRLGYICT CPTNMGTVVR ASVHLRLAFL EKHPRFDEML DATA SEQUENCE GKLRLGKRGT GGESSLATDS TYDISNWARL GKSERELVQV LVDGVNLLIA DATA SEQUENCE CDKKLEAGQS IDDMIPK 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 24 K HA 0.000 nan 4.320 nan 0.000 0.191 24 K C 0.000 176.533 176.600 -0.112 0.000 0.988 24 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 24 K CB 0.000 32.514 32.500 0.023 0.000 1.064 25 F N 2.342 122.412 119.950 0.200 0.000 2.368 25 F HA 0.459 4.986 4.527 -0.000 0.000 0.308 25 F C 0.833 176.775 175.800 0.237 0.000 1.198 25 F CA 0.013 58.128 58.000 0.192 0.000 1.130 25 F CB 0.739 39.867 39.000 0.213 0.000 1.300 25 F HN 0.260 nan 8.300 nan 0.000 0.537 26 K N -0.121 120.432 120.400 0.254 0.000 2.238 26 K HA 0.666 4.986 4.320 -0.000 0.000 0.239 26 K C 0.521 176.744 176.600 -0.628 0.000 0.987 26 K CA -0.594 55.674 56.287 -0.032 0.000 0.857 26 K CB 1.363 33.859 32.500 -0.008 0.000 1.154 26 K HN 0.530 nan 8.250 nan 0.000 0.439 27 A N 1.114 123.337 122.820 -0.994 0.000 1.940 27 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 27 A C 2.183 179.583 177.584 -0.307 0.000 1.176 27 A CA 2.257 53.663 52.037 -1.051 0.000 0.631 27 A CB -1.023 17.656 19.000 -0.536 0.000 0.814 27 A HN 0.812 nan 8.150 nan 0.000 0.446 28 A N 0.281 122.987 122.820 -0.191 0.000 1.908 28 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 28 A C 1.762 179.309 177.584 -0.062 0.000 1.181 28 A CA 1.874 53.855 52.037 -0.092 0.000 0.627 28 A CB -0.630 18.322 19.000 -0.079 0.000 0.818 28 A HN 0.533 nan 8.150 nan 0.000 0.445 29 D N -0.324 120.024 120.400 -0.087 0.000 2.178 29 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 29 D C 1.182 177.402 176.300 -0.134 0.000 0.980 29 D CA 1.070 55.035 54.000 -0.059 0.000 0.842 29 D CB -0.259 40.572 40.800 0.052 0.000 0.948 29 D HN 0.360 nan 8.370 nan 0.000 0.472 30 N N -0.345 118.244 118.700 -0.185 0.000 2.280 30 N HA -0.028 4.712 4.740 -0.000 0.000 0.192 30 N C -0.166 175.221 175.510 -0.205 0.000 1.109 30 N CA -0.281 52.678 53.050 -0.152 0.000 0.855 30 N CB 0.134 38.579 38.487 -0.070 0.000 0.974 30 N HN 0.044 nan 8.380 nan 0.000 0.482 31 F N 3.918 123.641 119.950 -0.379 0.000 2.578 31 F HA 0.183 4.710 4.527 -0.000 0.000 0.376 31 F C -1.708 173.814 175.800 -0.463 0.000 1.085 31 F CA -1.720 55.898 58.000 -0.638 0.000 1.260 31 F CB 0.432 39.196 39.000 -0.392 0.000 1.095 31 F HN 0.022 nan 8.300 nan 0.000 0.573 32 P HA 0.116 nan 4.420 nan 0.000 0.284 32 P C -1.364 175.481 177.300 -0.759 0.000 1.253 32 P CA -0.432 62.174 63.100 -0.823 0.000 0.800 32 P CB 1.001 32.226 31.700 -0.792 0.000 0.961 33 D N 2.239 122.405 120.400 -0.391 0.000 2.352 33 D HA 0.109 4.748 4.640 -0.000 0.000 0.245 33 D C 0.451 176.577 176.300 -0.290 0.000 1.224 33 D CA -0.024 53.834 54.000 -0.235 0.000 0.879 33 D CB -0.060 40.678 40.800 -0.103 0.000 1.057 33 D HN 0.244 nan 8.370 nan 0.000 0.491 34 L N 2.734 123.763 121.223 -0.323 0.000 2.818 34 L HA 0.047 4.387 4.340 -0.000 0.000 0.243 34 L C 2.006 178.835 176.870 -0.068 0.000 1.185 34 L CA -0.132 54.467 54.840 -0.402 0.000 0.988 34 L CB -0.056 41.720 42.059 -0.472 0.000 1.292 34 L HN 0.299 nan 8.230 nan 0.000 0.519 35 S N 0.278 115.973 115.700 -0.007 0.000 2.387 35 S HA -0.213 4.257 4.470 -0.000 0.000 0.230 35 S C 1.503 176.145 174.600 0.070 0.000 1.035 35 S CA 1.157 59.379 58.200 0.036 0.000 1.014 35 S CB -0.283 62.933 63.200 0.027 0.000 0.836 35 S HN 0.439 nan 8.310 nan 0.000 0.466 36 K N 0.714 121.183 120.400 0.116 0.000 2.493 36 K HA 0.287 4.607 4.320 -0.000 0.000 0.207 36 K C -0.532 176.131 176.600 0.105 0.000 1.033 36 K CA -0.170 56.172 56.287 0.092 0.000 1.161 36 K CB 0.170 32.703 32.500 0.054 0.000 0.873 36 K HN 0.403 nan 8.250 nan 0.000 0.491 37 H N 0.652 119.708 119.070 -0.023 0.000 2.505 37 H HA 0.195 4.751 4.556 -0.000 0.000 0.355 37 H C -0.195 175.126 175.328 -0.013 0.000 1.179 37 H CA -0.392 55.643 56.048 -0.023 0.000 1.343 37 H CB 0.768 30.506 29.762 -0.041 0.000 1.501 37 H HN 0.031 nan 8.280 nan 0.000 0.569 38 N N 1.807 120.539 118.700 0.053 0.000 2.750 38 N HA 0.061 4.800 4.740 -0.000 0.000 0.253 38 N C -1.624 173.903 175.510 0.027 0.000 1.408 38 N CA -0.422 52.647 53.050 0.033 0.000 0.780 38 N CB 0.068 38.556 38.487 0.003 0.000 1.191 38 N HN 0.780 nan 8.380 nan 0.000 0.511 39 N N -1.371 117.362 118.700 0.055 0.000 2.732 39 N HA 0.227 4.967 4.740 -0.000 0.000 0.259 39 N C 0.546 176.081 175.510 0.043 0.000 1.402 39 N CA -0.785 52.288 53.050 0.038 0.000 0.829 39 N CB 0.938 39.452 38.487 0.046 0.000 1.495 39 N HN -0.228 nan 8.380 nan 0.000 0.511 40 V N -0.146 119.783 119.914 0.025 0.000 2.343 40 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 40 V C 2.386 178.517 176.094 0.062 0.000 1.051 40 V CA 1.882 64.193 62.300 0.018 0.000 1.036 40 V CB -0.771 31.041 31.823 -0.020 0.000 0.654 40 V HN 0.817 nan 8.190 nan 0.000 0.451 41 M N 0.864 120.537 119.600 0.122 0.000 2.106 41 M HA -0.211 4.268 4.480 -0.000 0.000 0.259 41 M C 2.136 178.569 176.300 0.222 0.000 1.068 41 M CA 2.762 58.237 55.300 0.292 0.000 1.100 41 M CB -0.818 31.925 32.600 0.237 0.000 1.351 41 M HN 0.339 nan 8.290 nan 0.000 0.404 42 A N -0.583 122.295 122.820 0.097 0.000 1.969 42 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 42 A C 2.182 179.813 177.584 0.080 0.000 1.169 42 A CA 2.031 54.093 52.037 0.040 0.000 0.635 42 A CB -0.787 18.232 19.000 0.032 0.000 0.810 42 A HN 0.666 nan 8.150 nan 0.000 0.445 43 S N -0.319 115.433 115.700 0.086 0.000 2.428 43 S HA -0.076 4.394 4.470 -0.000 0.000 0.230 43 S C 1.733 176.393 174.600 0.100 0.000 1.014 43 S CA 1.083 59.327 58.200 0.074 0.000 0.957 43 S CB -0.064 63.163 63.200 0.045 0.000 0.784 43 S HN 0.609 nan 8.310 nan 0.000 0.499 44 Q N 0.062 119.948 119.800 0.144 0.000 2.352 44 Q HA 0.335 4.675 4.340 -0.000 0.000 0.212 44 Q C 0.028 176.256 176.000 0.379 0.000 0.888 44 Q CA -0.061 55.845 55.803 0.172 0.000 0.934 44 Q CB -0.193 28.541 28.738 -0.006 0.000 1.093 44 Q HN 0.372 nan 8.270 nan 0.000 0.523 45 L N 2.622 124.097 121.223 0.421 0.000 2.319 45 L HA 0.247 4.587 4.340 -0.000 0.000 0.280 45 L C 0.107 177.168 176.870 0.318 0.000 1.099 45 L CA 0.224 55.306 54.840 0.403 0.000 0.828 45 L CB 0.960 43.143 42.059 0.206 0.000 1.150 45 L HN 0.079 nan 8.230 nan 0.000 0.442 46 T N 0.787 115.521 114.554 0.300 0.000 2.949 46 T HA 0.484 4.834 4.350 -0.000 0.000 0.287 46 T C 0.949 175.710 174.700 0.101 0.000 1.034 46 T CA -0.721 61.484 62.100 0.176 0.000 1.018 46 T CB 1.433 70.350 68.868 0.082 0.000 1.135 46 T HN 0.535 nan 8.240 nan 0.000 0.532 47 K N 0.575 120.788 120.400 -0.311 0.000 2.148 47 K HA 0.019 4.339 4.320 -0.000 0.000 0.204 47 K C 2.028 178.492 176.600 -0.227 0.000 1.050 47 K CA 1.344 57.193 56.287 -0.730 0.000 0.942 47 K CB -0.305 31.672 32.500 -0.872 0.000 0.724 47 K HN 0.692 nan 8.250 nan 0.000 0.446 48 E N 0.685 120.801 120.200 -0.141 0.000 2.072 48 E HA -0.066 4.283 4.350 -0.000 0.000 0.191 48 E C 1.860 178.399 176.600 -0.102 0.000 0.985 48 E CA 0.760 57.099 56.400 -0.102 0.000 0.801 48 E CB -0.263 29.388 29.700 -0.082 0.000 0.750 48 E HN 0.101 nan 8.360 nan 0.000 0.452 49 L N -0.166 121.024 121.223 -0.056 0.000 2.012 49 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 49 L C 2.354 179.169 176.870 -0.093 0.000 1.073 49 L CA 1.324 56.092 54.840 -0.120 0.000 0.748 49 L CB -0.381 41.738 42.059 0.101 0.000 0.891 49 L HN 0.213 nan 8.230 nan 0.000 0.431 50 Y N 0.909 121.240 120.300 0.051 0.000 2.081 50 Y HA -0.350 4.200 4.550 -0.000 0.000 0.280 50 Y C 2.674 178.639 175.900 0.109 0.000 1.163 50 Y CA 2.165 60.389 58.100 0.208 0.000 1.135 50 Y CB -0.266 38.433 38.460 0.399 0.000 0.970 50 Y HN 0.212 nan 8.280 nan 0.000 0.498 51 E N -0.037 120.162 120.200 -0.002 0.000 2.118 51 E HA -0.274 4.076 4.350 -0.000 0.000 0.195 51 E C 2.305 178.874 176.600 -0.051 0.000 0.992 51 E CA 1.364 57.745 56.400 -0.031 0.000 0.804 51 E CB -0.177 29.503 29.700 -0.034 0.000 0.741 51 E HN 0.440 nan 8.360 nan 0.000 0.458 52 K N -0.609 119.669 120.400 -0.203 0.000 2.057 52 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 52 K C 1.437 177.901 176.600 -0.227 0.000 1.049 52 K CA 1.539 57.639 56.287 -0.311 0.000 0.931 52 K CB -0.018 32.119 32.500 -0.605 0.000 0.714 52 K HN 0.301 nan 8.250 nan 0.000 0.440 53 Y N -2.343 117.857 120.300 -0.167 0.000 2.442 53 Y HA -0.047 4.502 4.550 -0.000 0.000 0.250 53 Y C 1.699 177.536 175.900 -0.106 0.000 1.113 53 Y CA -0.766 57.200 58.100 -0.223 0.000 1.273 53 Y CB 0.086 38.066 38.460 -0.801 0.000 1.138 53 Y HN 0.229 nan 8.280 nan 0.000 0.522 54 W N 3.332 124.495 121.300 -0.228 0.000 2.290 54 W HA -0.312 4.348 4.660 -0.000 0.000 0.328 54 W C 1.353 177.833 176.519 -0.065 0.000 1.272 54 W CA 2.670 59.822 57.345 -0.322 0.000 1.262 54 W CB -0.415 28.749 29.460 -0.492 0.000 1.151 54 W HN 0.261 nan 8.180 nan 0.000 0.473 55 D N -0.653 119.622 120.400 -0.209 0.000 2.368 55 D HA 0.059 4.699 4.640 -0.000 0.000 0.218 55 D C 0.070 176.308 176.300 -0.103 0.000 1.112 55 D CA -0.083 53.690 54.000 -0.378 0.000 0.834 55 D CB -0.724 39.758 40.800 -0.530 0.000 0.953 55 D HN 0.089 nan 8.370 nan 0.000 0.505 56 K N 1.052 121.487 120.400 0.058 0.000 2.276 56 K HA 0.388 4.708 4.320 -0.000 0.000 0.285 56 K C -1.182 175.552 176.600 0.223 0.000 1.062 56 K CA -0.421 55.949 56.287 0.139 0.000 0.918 56 K CB 1.087 33.733 32.500 0.244 0.000 1.055 56 K HN -0.179 nan 8.250 nan 0.000 0.477 57 V N 3.442 123.421 119.914 0.109 0.000 2.680 57 V HA 0.244 4.364 4.120 -0.000 0.000 0.309 57 V C 0.202 176.321 176.094 0.042 0.000 1.052 57 V CA -0.878 61.494 62.300 0.121 0.000 0.908 57 V CB 2.010 33.864 31.823 0.051 0.000 1.001 57 V HN 1.012 nan 8.190 nan 0.000 0.431 58 T N 2.129 116.725 114.554 0.070 0.000 2.828 58 T HA 0.267 4.617 4.350 -0.000 0.000 0.290 58 T C -1.641 173.019 174.700 -0.068 0.000 1.019 58 T CA -1.333 60.757 62.100 -0.017 0.000 1.031 58 T CB 0.985 69.909 68.868 0.094 0.000 1.001 58 T HN 0.449 nan 8.240 nan 0.000 0.531 59 P HA -0.156 nan 4.420 nan 0.000 0.220 59 P C 1.142 178.407 177.300 -0.059 0.000 1.155 59 P CA 1.304 64.261 63.100 -0.238 0.000 0.880 59 P CB -0.081 31.258 31.700 -0.602 0.000 0.790 60 N N -1.921 116.806 118.700 0.044 0.000 2.383 60 N HA 0.056 4.796 4.740 -0.000 0.000 0.192 60 N C 1.127 176.685 175.510 0.081 0.000 1.141 60 N CA 1.153 54.258 53.050 0.092 0.000 0.851 60 N CB 0.080 38.660 38.487 0.157 0.000 0.976 60 N HN 0.196 nan 8.380 nan 0.000 0.465 61 G N 0.406 109.245 108.800 0.065 0.000 2.141 61 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 61 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 61 G C 0.018 174.980 174.900 0.103 0.000 0.982 61 G CA -0.160 44.980 45.100 0.067 0.000 0.662 61 G HN 0.174 nan 8.290 nan 0.000 0.527 62 V N 1.872 121.872 119.914 0.143 0.000 2.583 62 V HA 0.633 4.753 4.120 -0.000 0.000 0.287 62 V C 1.142 177.392 176.094 0.260 0.000 1.051 62 V CA 0.589 63.008 62.300 0.199 0.000 1.010 62 V CB 1.376 33.346 31.823 0.244 0.000 0.988 62 V HN 0.780 nan 8.190 nan 0.000 0.478 63 T N 1.376 116.073 114.554 0.238 0.000 2.940 63 T HA 0.434 4.784 4.350 -0.000 0.000 0.288 63 T C 0.591 175.399 174.700 0.180 0.000 1.033 63 T CA -0.457 61.782 62.100 0.232 0.000 1.033 63 T CB 1.292 70.236 68.868 0.127 0.000 1.079 63 T HN 0.315 nan 8.240 nan 0.000 0.496 64 F N 1.202 121.035 119.950 -0.194 0.000 2.113 64 F HA 0.005 4.532 4.527 -0.000 0.000 0.297 64 F C 1.961 177.638 175.800 -0.205 0.000 1.103 64 F CA 1.483 59.128 58.000 -0.592 0.000 1.248 64 F CB -0.637 37.926 39.000 -0.728 0.000 0.999 64 F HN 0.674 nan 8.300 nan 0.000 0.475 65 D N 0.438 120.776 120.400 -0.102 0.000 2.149 65 D HA -0.260 4.380 4.640 -0.000 0.000 0.194 65 D C 2.145 178.371 176.300 -0.124 0.000 1.001 65 D CA 1.751 55.691 54.000 -0.101 0.000 0.849 65 D CB -0.297 40.557 40.800 0.090 0.000 0.939 65 D HN 0.189 nan 8.370 nan 0.000 0.449 66 K N 0.980 121.360 120.400 -0.033 0.000 2.097 66 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 66 K C 2.045 178.650 176.600 0.007 0.000 1.049 66 K CA 1.027 57.321 56.287 0.013 0.000 0.933 66 K CB -0.621 31.927 32.500 0.081 0.000 0.717 66 K HN 0.135 nan 8.250 nan 0.000 0.442 67 C N 0.388 119.682 119.300 -0.010 0.000 2.435 67 C HA 0.017 4.477 4.460 -0.000 0.000 0.279 67 C C 2.286 177.230 174.990 -0.076 0.000 1.321 67 C CA 0.772 59.828 59.018 0.064 0.000 1.752 67 C CB -0.940 26.942 27.740 0.237 0.000 1.959 67 C HN 0.696 nan 8.230 nan 0.000 0.500 68 I N -1.405 118.982 120.570 -0.304 0.000 4.057 68 I HA 0.140 4.310 4.170 -0.000 0.000 0.334 68 I C 2.150 178.146 176.117 -0.202 0.000 1.308 68 I CA 0.472 61.576 61.300 -0.327 0.000 1.125 68 I CB -0.594 37.011 38.000 -0.659 0.000 1.034 68 I HN 0.072 nan 8.210 nan 0.000 0.401 69 Q N 1.763 121.476 119.800 -0.144 0.000 2.124 69 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 69 Q C 2.234 178.200 176.000 -0.058 0.000 0.977 69 Q CA 2.636 58.379 55.803 -0.100 0.000 0.850 69 Q CB -0.562 28.141 28.738 -0.059 0.000 0.901 69 Q HN 0.504 nan 8.270 nan 0.000 0.429 70 T N -1.578 112.955 114.554 -0.035 0.000 2.962 70 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 70 T C 1.430 176.129 174.700 -0.002 0.000 1.088 70 T CA 1.308 63.400 62.100 -0.013 0.000 1.127 70 T CB -0.455 68.412 68.868 -0.003 0.000 0.883 70 T HN 0.523 nan 8.240 nan 0.000 0.493 71 G N 0.291 109.087 108.800 -0.006 0.000 2.408 71 G HA2 -0.052 3.907 3.960 -0.000 0.000 0.215 71 G HA3 -0.052 3.907 3.960 -0.000 0.000 0.215 71 G C 1.640 176.606 174.900 0.110 0.000 1.156 71 G CA 0.798 45.921 45.100 0.038 0.000 0.793 71 G HN 0.482 nan 8.290 nan 0.000 0.535 72 V N 1.581 121.495 119.914 -0.001 0.000 2.343 72 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 72 V C 2.198 178.390 176.094 0.163 0.000 1.051 72 V CA 1.988 64.302 62.300 0.023 0.000 1.036 72 V CB -0.335 31.403 31.823 -0.143 0.000 0.654 72 V HN 0.244 nan 8.190 nan 0.000 0.451 73 D N 0.093 120.521 120.400 0.047 0.000 2.363 73 D HA -0.000 4.639 4.640 -0.000 0.000 0.220 73 D C 0.518 176.815 176.300 -0.005 0.000 0.994 73 D CA 0.569 54.579 54.000 0.017 0.000 0.890 73 D CB -0.104 40.692 40.800 -0.007 0.000 0.906 73 D HN 0.446 nan 8.370 nan 0.000 0.530 74 N N 0.764 119.463 118.700 -0.001 0.000 2.750 74 N HA 0.107 4.847 4.740 -0.000 0.000 0.253 74 N C -2.049 173.377 175.510 -0.140 0.000 1.408 74 N CA -0.925 52.090 53.050 -0.058 0.000 0.780 74 N CB 2.270 40.741 38.487 -0.027 0.000 1.191 74 N HN -0.039 nan 8.380 nan 0.000 0.511 75 P HA -0.086 nan 4.420 nan 0.000 0.218 75 P C 1.081 178.240 177.300 -0.235 0.000 1.148 75 P CA 1.236 63.937 63.100 -0.666 0.000 0.822 75 P CB 0.604 31.810 31.700 -0.823 0.000 0.784 76 G N 0.387 109.105 108.800 -0.136 0.000 2.569 76 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.259 76 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.259 76 G C -0.450 174.450 174.900 0.001 0.000 1.263 76 G CA -0.206 44.866 45.100 -0.046 0.000 0.928 76 G HN 0.385 nan 8.290 nan 0.000 0.572 77 N N -0.062 118.670 118.700 0.054 0.000 2.260 77 N HA 0.288 5.028 4.740 -0.000 0.000 0.293 77 N C 0.965 176.528 175.510 0.087 0.000 1.058 77 N CA -0.495 52.646 53.050 0.152 0.000 0.824 77 N CB 1.996 40.665 38.487 0.303 0.000 1.551 77 N HN 0.604 nan 8.380 nan 0.000 0.475 78 K N 0.711 121.114 120.400 0.005 0.000 2.160 78 K HA -0.099 4.220 4.320 -0.000 0.000 0.206 78 K C 1.147 177.675 176.600 -0.120 0.000 1.047 78 K CA 1.584 57.790 56.287 -0.134 0.000 0.930 78 K CB -0.089 32.218 32.500 -0.321 0.000 0.720 78 K HN 0.400 nan 8.250 nan 0.000 0.450 79 F N -0.579 119.404 119.950 0.055 0.000 2.051 79 F HA -0.135 4.392 4.527 -0.000 0.000 0.296 79 F C 1.043 176.964 175.800 0.201 0.000 1.122 79 F CA 0.845 58.902 58.000 0.095 0.000 1.201 79 F CB -0.128 38.916 39.000 0.073 0.000 0.978 79 F HN -0.036 nan 8.300 nan 0.000 0.472 80 Y N -0.390 120.029 120.300 0.198 0.000 2.362 80 Y HA 0.483 5.033 4.550 -0.000 0.000 0.326 80 Y C -0.034 175.907 175.900 0.068 0.000 1.083 80 Y CA -1.356 56.808 58.100 0.107 0.000 1.073 80 Y CB 1.506 40.022 38.460 0.093 0.000 1.211 80 Y HN 0.254 nan 8.280 nan 0.000 0.433 81 G N 5.265 113.743 108.800 -0.537 0.000 2.694 81 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.247 81 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.247 81 G C -0.398 174.393 174.900 -0.182 0.000 0.989 81 G CA 0.082 44.909 45.100 -0.455 0.000 1.252 81 G HN 0.806 nan 8.290 nan 0.000 0.483 82 K N 1.619 121.944 120.400 -0.126 0.000 2.419 82 K HA 0.170 4.490 4.320 -0.000 0.000 0.282 82 K C 0.924 177.481 176.600 -0.071 0.000 1.056 82 K CA -0.085 56.161 56.287 -0.068 0.000 1.035 82 K CB 0.306 32.779 32.500 -0.045 0.000 0.921 82 K HN 0.319 nan 8.250 nan 0.000 0.472 83 K N 2.549 122.918 120.400 -0.051 0.000 2.179 83 K HA 0.124 4.444 4.320 -0.000 0.000 0.238 83 K C 1.102 177.681 176.600 -0.033 0.000 1.033 83 K CA -0.439 55.819 56.287 -0.049 0.000 0.926 83 K CB 0.599 33.077 32.500 -0.037 0.000 1.151 83 K HN 0.524 nan 8.250 nan 0.000 0.492 84 T N -0.330 114.203 114.554 -0.035 0.000 2.937 84 T HA 0.039 4.389 4.350 -0.000 0.000 0.260 84 T C 1.053 175.763 174.700 0.016 0.000 1.051 84 T CA 1.072 63.156 62.100 -0.026 0.000 1.141 84 T CB -0.236 68.602 68.868 -0.051 0.000 0.879 84 T HN 0.825 nan 8.240 nan 0.000 0.459 85 G N 1.285 110.094 108.800 0.016 0.000 2.155 85 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.257 85 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.257 85 G C 0.340 175.268 174.900 0.045 0.000 0.983 85 G CA 0.291 45.412 45.100 0.035 0.000 0.676 85 G HN 1.065 nan 8.290 nan 0.000 0.528 86 C N -2.673 116.662 119.300 0.059 0.000 3.311 86 C HA 0.915 5.374 4.460 -0.000 0.000 0.325 86 C C -0.415 174.616 174.990 0.068 0.000 1.352 86 C CA -0.586 58.493 59.018 0.102 0.000 1.308 86 C CB 1.866 29.753 27.740 0.246 0.000 1.619 86 C HN 1.483 nan 8.230 nan 0.000 0.469 87 V N 0.470 120.448 119.914 0.106 0.000 3.087 87 V HA 0.665 4.785 4.120 -0.000 0.000 0.306 87 V C -1.295 174.871 176.094 0.120 0.000 1.187 87 V CA -0.607 61.694 62.300 0.001 0.000 0.999 87 V CB 2.278 34.124 31.823 0.038 0.000 1.049 87 V HN 0.894 nan 8.190 nan 0.000 0.431 88 F N 3.595 123.614 119.950 0.115 0.000 2.396 88 F HA 0.508 5.035 4.527 -0.000 0.000 0.343 88 F C 1.468 177.326 175.800 0.096 0.000 1.104 88 F CA 0.289 58.334 58.000 0.075 0.000 1.161 88 F CB 1.811 40.768 39.000 -0.072 0.000 1.146 88 F HN 0.663 nan 8.300 nan 0.000 0.522 89 G N 1.040 110.052 108.800 0.353 0.000 2.459 89 G HA2 0.025 3.985 3.960 -0.000 0.000 0.213 89 G HA3 0.025 3.985 3.960 -0.000 0.000 0.213 89 G C -0.267 174.744 174.900 0.186 0.000 1.155 89 G CA 0.460 45.705 45.100 0.241 0.000 0.811 89 G HN 0.669 nan 8.290 nan 0.000 0.534 90 D N -1.838 118.660 120.400 0.164 0.000 2.812 90 D HA 0.111 4.751 4.640 -0.000 0.000 0.318 90 D C 0.987 177.248 176.300 -0.065 0.000 1.234 90 D CA -0.257 53.788 54.000 0.074 0.000 0.989 90 D CB -0.053 40.825 40.800 0.131 0.000 1.442 90 D HN 0.191 nan 8.370 nan 0.000 0.537 91 E N -0.761 119.311 120.200 -0.214 0.000 2.347 91 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 91 E C 0.587 176.935 176.600 -0.420 0.000 1.008 91 E CA 0.849 57.022 56.400 -0.380 0.000 0.852 91 E CB -0.458 28.961 29.700 -0.468 0.000 0.783 91 E HN 0.537 nan 8.360 nan 0.000 0.505 92 Y N 0.902 121.145 120.300 -0.095 0.000 2.466 92 Y HA 0.199 4.749 4.550 -0.000 0.000 0.272 92 Y C 2.337 178.133 175.900 -0.173 0.000 1.169 92 Y CA 0.114 58.143 58.100 -0.119 0.000 1.285 92 Y CB 0.636 39.044 38.460 -0.087 0.000 1.078 92 Y HN 0.021 nan 8.280 nan 0.000 0.523 93 S N -0.111 115.575 115.700 -0.024 0.000 2.355 93 S HA -0.234 4.236 4.470 -0.000 0.000 0.222 93 S C 1.768 176.373 174.600 0.008 0.000 1.031 93 S CA 1.371 59.616 58.200 0.075 0.000 0.993 93 S CB -0.598 62.775 63.200 0.289 0.000 0.859 93 S HN 0.640 nan 8.310 nan 0.000 0.453 94 Y N 3.318 123.319 120.300 -0.497 0.000 2.030 94 Y HA -0.278 4.272 4.550 -0.000 0.000 0.274 94 Y C 2.649 178.526 175.900 -0.038 0.000 1.153 94 Y CA 2.216 60.055 58.100 -0.435 0.000 1.115 94 Y CB -0.357 37.687 38.460 -0.692 0.000 0.969 94 Y HN 0.292 nan 8.280 nan 0.000 0.488 95 E N -0.581 119.339 120.200 -0.467 0.000 2.268 95 E HA -0.189 4.160 4.350 -0.000 0.000 0.195 95 E C 2.330 178.726 176.600 -0.341 0.000 0.995 95 E CA 1.201 57.311 56.400 -0.483 0.000 0.836 95 E CB -1.257 28.323 29.700 -0.199 0.000 0.763 95 E HN 0.553 nan 8.360 nan 0.000 0.491 96 C N 0.294 119.362 119.300 -0.387 0.000 2.429 96 C HA -0.105 4.354 4.460 -0.000 0.000 0.277 96 C C 1.518 176.031 174.990 -0.794 0.000 1.262 96 C CA 0.679 59.319 59.018 -0.630 0.000 1.733 96 C CB -1.004 26.114 27.740 -1.037 0.000 2.010 96 C HN 0.461 nan 8.230 nan 0.000 0.483 97 Y N -0.352 119.777 120.300 -0.284 0.000 2.734 97 Y HA 0.203 4.753 4.550 -0.000 0.000 0.278 97 Y C 1.703 177.480 175.900 -0.206 0.000 1.108 97 Y CA -0.378 57.257 58.100 -0.775 0.000 1.211 97 Y CB -0.349 37.888 38.460 -0.372 0.000 1.182 97 Y HN 0.189 nan 8.280 nan 0.000 0.547 98 K N 1.397 121.733 120.400 -0.108 0.000 2.077 98 K HA -0.310 4.010 4.320 -0.000 0.000 0.213 98 K C 1.822 178.520 176.600 0.164 0.000 1.051 98 K CA 2.167 58.367 56.287 -0.145 0.000 0.929 98 K CB 0.062 32.422 32.500 -0.234 0.000 0.715 98 K HN 0.528 nan 8.250 nan 0.000 0.451 99 E N -0.754 119.620 120.200 0.290 0.000 2.110 99 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 99 E C 1.872 178.675 176.600 0.339 0.000 0.988 99 E CA 1.071 57.656 56.400 0.309 0.000 0.804 99 E CB -0.124 29.760 29.700 0.308 0.000 0.745 99 E HN 0.333 nan 8.360 nan 0.000 0.458 100 F N -0.052 120.067 119.950 0.282 0.000 2.163 100 F HA -0.124 4.402 4.527 -0.000 0.000 0.297 100 F C 1.606 177.496 175.800 0.149 0.000 1.094 100 F CA 1.143 59.250 58.000 0.179 0.000 1.290 100 F CB -0.277 38.800 39.000 0.128 0.000 1.017 100 F HN -0.025 nan 8.300 nan 0.000 0.483 101 F N 1.142 121.196 119.950 0.175 0.000 2.163 101 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 101 F C 2.319 178.231 175.800 0.188 0.000 1.094 101 F CA 1.469 59.575 58.000 0.178 0.000 1.290 101 F CB -1.026 38.332 39.000 0.596 0.000 1.017 101 F HN -0.050 nan 8.300 nan 0.000 0.483 102 D N 0.134 120.800 120.400 0.443 0.000 2.149 102 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 102 D C 2.217 178.622 176.300 0.177 0.000 0.990 102 D CA 1.123 55.320 54.000 0.328 0.000 0.839 102 D CB -0.310 40.660 40.800 0.285 0.000 0.948 102 D HN 0.210 nan 8.370 nan 0.000 0.460 103 K N 0.010 120.462 120.400 0.087 0.000 2.026 103 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 103 K C 2.253 178.829 176.600 -0.039 0.000 1.048 103 K CA 1.131 57.424 56.287 0.010 0.000 0.929 103 K CB -0.098 32.389 32.500 -0.022 0.000 0.713 103 K HN 0.171 nan 8.250 nan 0.000 0.439 104 C N 0.488 119.708 119.300 -0.133 0.000 2.429 104 C HA -0.075 4.385 4.460 -0.000 0.000 0.277 104 C C 2.505 177.504 174.990 0.015 0.000 1.262 104 C CA 0.416 59.367 59.018 -0.111 0.000 1.733 104 C CB -0.712 26.922 27.740 -0.177 0.000 2.010 104 C HN 0.455 nan 8.230 nan 0.000 0.483 105 I N 0.789 121.437 120.570 0.129 0.000 2.226 105 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 105 I C 2.638 178.887 176.117 0.220 0.000 1.100 105 I CA 1.579 63.022 61.300 0.237 0.000 1.374 105 I CB -0.566 37.609 38.000 0.292 0.000 1.057 105 I HN 0.443 nan 8.210 nan 0.000 0.413 106 E N 0.375 120.668 120.200 0.154 0.000 2.085 106 E HA -0.306 4.043 4.350 -0.000 0.000 0.194 106 E C 2.100 178.671 176.600 -0.048 0.000 0.994 106 E CA 1.587 58.044 56.400 0.094 0.000 0.801 106 E CB -0.091 29.645 29.700 0.060 0.000 0.743 106 E HN 0.503 nan 8.360 nan 0.000 0.453 107 E N 0.648 120.811 120.200 -0.061 0.000 2.072 107 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 107 E C 2.066 178.583 176.600 -0.138 0.000 0.985 107 E CA 0.861 57.189 56.400 -0.121 0.000 0.801 107 E CB -0.010 29.648 29.700 -0.069 0.000 0.750 107 E HN 0.210 nan 8.360 nan 0.000 0.452 108 I N -0.450 120.041 120.570 -0.131 0.000 2.353 108 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 108 I C 1.611 177.578 176.117 -0.250 0.000 1.119 108 I CA 1.337 62.473 61.300 -0.273 0.000 1.417 108 I CB -0.088 37.621 38.000 -0.485 0.000 1.078 108 I HN 0.200 nan 8.210 nan 0.000 0.421 109 H N -2.452 116.684 119.070 0.109 0.000 3.255 109 H HA 0.174 4.729 4.556 -0.000 0.000 0.256 109 H C -0.164 175.495 175.328 0.551 0.000 1.049 109 H CA -0.109 56.099 56.048 0.265 0.000 1.202 109 H CB 0.585 30.410 29.762 0.106 0.000 1.497 109 H HN 0.187 nan 8.280 nan 0.000 0.503 110 H N -1.558 117.743 119.070 0.384 0.000 2.903 110 H HA -0.194 4.362 4.556 -0.000 0.000 0.285 110 H C -0.974 174.552 175.328 0.329 0.000 1.231 110 H CA 0.655 56.883 56.048 0.300 0.000 1.135 110 H CB -2.160 27.754 29.762 0.254 0.000 1.328 110 H HN 0.284 nan 8.280 nan 0.000 0.388 111 F N 1.771 121.851 119.950 0.217 0.000 2.403 111 F HA 0.403 4.930 4.527 -0.000 0.000 0.355 111 F C 0.001 175.869 175.800 0.114 0.000 1.119 111 F CA -1.107 56.987 58.000 0.157 0.000 1.007 111 F CB 0.603 39.680 39.000 0.129 0.000 1.194 111 F HN -0.212 nan 8.300 nan 0.000 0.443 112 K N 6.574 126.889 120.400 -0.140 0.000 2.258 112 K HA 0.184 4.504 4.320 -0.000 0.000 0.264 112 K C -1.798 174.743 176.600 -0.098 0.000 1.007 112 K CA -1.757 54.476 56.287 -0.089 0.000 0.941 112 K CB 0.412 32.846 32.500 -0.110 0.000 0.966 112 K HN 0.310 nan 8.250 nan 0.000 0.480 113 P HA -0.147 nan 4.420 nan 0.000 0.218 113 P C 0.714 178.030 177.300 0.026 0.000 1.146 113 P CA 1.334 64.479 63.100 0.075 0.000 0.813 113 P CB 0.216 31.970 31.700 0.090 0.000 0.778 114 S N -3.232 112.440 115.700 -0.047 0.000 2.548 114 S HA 0.067 4.536 4.470 -0.000 0.000 0.215 114 S C 0.646 175.174 174.600 -0.119 0.000 0.976 114 S CA -0.219 57.951 58.200 -0.050 0.000 0.908 114 S CB -0.551 62.625 63.200 -0.039 0.000 0.781 114 S HN 0.013 nan 8.310 nan 0.000 0.519 115 D N 2.544 122.763 120.400 -0.302 0.000 2.389 115 D HA 0.299 4.939 4.640 -0.000 0.000 0.247 115 D C -0.378 175.811 176.300 -0.186 0.000 1.128 115 D CA 0.470 54.169 54.000 -0.502 0.000 0.884 115 D CB 0.710 40.662 40.800 -1.413 0.000 1.194 115 D HN 0.227 nan 8.370 nan 0.000 0.441 116 K N 1.536 121.951 120.400 0.026 0.000 2.425 116 K HA 0.125 4.445 4.320 -0.000 0.000 0.259 116 K C -0.593 176.184 176.600 0.294 0.000 0.978 116 K CA -0.743 55.648 56.287 0.174 0.000 0.883 116 K CB 0.925 33.474 32.500 0.081 0.000 1.110 116 K HN 0.397 nan 8.250 nan 0.000 0.436 117 H N 4.872 124.109 119.070 0.279 0.000 2.929 117 H HA 0.107 4.663 4.556 -0.000 0.000 0.317 117 H C -1.991 173.383 175.328 0.077 0.000 1.031 117 H CA -0.998 55.135 56.048 0.141 0.000 1.466 117 H CB 0.652 30.372 29.762 -0.070 0.000 1.482 117 H HN 0.372 nan 8.280 nan 0.000 0.561 118 P HA 0.108 nan 4.420 nan 0.000 0.272 118 P C -0.665 176.527 177.300 -0.180 0.000 1.254 118 P CA -0.519 62.437 63.100 -0.240 0.000 0.795 118 P CB 0.495 32.068 31.700 -0.212 0.000 1.022 119 A N 1.297 124.083 122.820 -0.057 0.000 2.425 119 A HA 0.373 4.693 4.320 -0.000 0.000 0.242 119 A C -1.898 175.703 177.584 0.029 0.000 1.077 119 A CA -0.847 51.188 52.037 -0.004 0.000 0.781 119 A CB -1.762 17.231 19.000 -0.012 0.000 1.020 119 A HN 0.430 nan 8.150 nan 0.000 0.494 120 P HA 0.207 nan 4.420 nan 0.000 0.270 120 P C -0.770 176.610 177.300 0.133 0.000 1.227 120 P CA 0.226 63.434 63.100 0.179 0.000 0.788 120 P CB 0.393 32.237 31.700 0.241 0.000 0.926 121 D N 1.121 121.629 120.400 0.180 0.000 2.318 121 D HA 0.149 4.788 4.640 -0.000 0.000 0.233 121 D C -0.889 175.556 176.300 0.242 0.000 1.348 121 D CA -0.174 53.923 54.000 0.162 0.000 0.983 121 D CB 0.198 41.078 40.800 0.134 0.000 1.416 121 D HN 0.163 nan 8.370 nan 0.000 0.558 122 L N 2.395 123.732 121.223 0.189 0.000 3.094 122 L HA 0.260 4.600 4.340 -0.000 0.000 0.254 122 L C 0.227 177.131 176.870 0.058 0.000 1.298 122 L CA -0.235 54.708 54.840 0.172 0.000 1.050 122 L CB 0.450 42.568 42.059 0.099 0.000 1.420 122 L HN 0.152 nan 8.230 nan 0.000 0.548 123 D N -0.194 120.268 120.400 0.103 0.000 2.494 123 D HA 0.042 4.682 4.640 -0.000 0.000 0.217 123 D C 1.380 177.682 176.300 0.004 0.000 1.153 123 D CA -0.290 53.706 54.000 -0.006 0.000 0.954 123 D CB 0.600 41.393 40.800 -0.011 0.000 1.034 123 D HN 0.395 nan 8.370 nan 0.000 0.518 124 H N 1.456 120.475 119.070 -0.085 0.000 2.524 124 H HA 0.079 4.635 4.556 -0.000 0.000 0.282 124 H C 1.037 176.405 175.328 0.066 0.000 1.016 124 H CA 0.661 56.680 56.048 -0.049 0.000 1.270 124 H CB 0.069 29.595 29.762 -0.393 0.000 1.394 124 H HN 0.159 nan 8.280 nan 0.000 0.568 125 N N 1.305 119.712 118.700 -0.487 0.000 2.244 125 N HA -0.101 4.639 4.740 -0.000 0.000 0.183 125 N C 1.178 176.653 175.510 -0.058 0.000 1.016 125 N CA 0.919 53.831 53.050 -0.230 0.000 0.866 125 N CB -0.039 38.284 38.487 -0.274 0.000 0.980 125 N HN 0.488 nan 8.380 nan 0.000 0.430 126 K N 0.579 120.962 120.400 -0.028 0.000 2.525 126 K HA 0.054 4.373 4.320 -0.000 0.000 0.192 126 K C 0.510 177.156 176.600 0.076 0.000 1.029 126 K CA -0.096 56.207 56.287 0.027 0.000 1.029 126 K CB 0.227 32.745 32.500 0.030 0.000 0.814 126 K HN 0.133 nan 8.250 nan 0.000 0.503 127 L N 2.011 123.314 121.223 0.133 0.000 2.380 127 L HA 0.141 4.481 4.340 -0.000 0.000 0.273 127 L C -0.603 176.307 176.870 0.067 0.000 1.138 127 L CA 0.114 55.033 54.840 0.133 0.000 0.832 127 L CB 1.211 43.428 42.059 0.264 0.000 1.124 127 L HN -0.229 nan 8.230 nan 0.000 0.454 128 V N 3.916 123.849 119.914 0.031 0.000 2.334 128 V HA 0.370 4.490 4.120 -0.000 0.000 0.281 128 V C 0.846 176.927 176.094 -0.022 0.000 1.016 128 V CA -0.238 62.066 62.300 0.007 0.000 0.832 128 V CB 0.851 32.678 31.823 0.008 0.000 0.999 128 V HN 1.058 nan 8.190 nan 0.000 0.439 129 G N 4.022 112.798 108.800 -0.041 0.000 2.369 129 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.286 129 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.286 129 G C 0.774 175.542 174.900 -0.220 0.000 0.938 129 G CA 0.257 45.298 45.100 -0.099 0.000 1.271 129 G HN 1.383 nan 8.290 nan 0.000 0.488 130 G N -0.902 107.760 108.800 -0.232 0.000 3.379 130 G HA2 0.412 4.372 3.960 -0.000 0.000 0.253 130 G HA3 0.412 4.372 3.960 -0.000 0.000 0.253 130 G C 0.358 174.824 174.900 -0.724 0.000 1.262 130 G CA 0.234 45.056 45.100 -0.464 0.000 0.959 130 G HN 0.884 nan 8.290 nan 0.000 0.524 131 V N 1.672 121.223 119.914 -0.606 0.000 2.294 131 V HA 0.456 4.576 4.120 -0.000 0.000 0.272 131 V C -0.513 175.346 176.094 -0.392 0.000 1.027 131 V CA -0.884 61.176 62.300 -0.400 0.000 0.823 131 V CB -0.106 31.621 31.823 -0.159 0.000 1.030 131 V HN 0.176 nan 8.190 nan 0.000 0.457 132 F N 1.329 121.309 119.950 0.051 0.000 2.411 132 F HA 0.499 5.026 4.527 -0.000 0.000 0.324 132 F C 0.954 176.807 175.800 0.089 0.000 1.086 132 F CA -1.314 56.724 58.000 0.064 0.000 1.028 132 F CB 0.670 39.712 39.000 0.069 0.000 1.284 132 F HN 0.357 nan 8.300 nan 0.000 0.501 133 E N 0.859 121.269 120.200 0.350 0.000 2.324 133 E HA 0.002 4.352 4.350 -0.000 0.000 0.271 133 E C -0.033 176.720 176.600 0.256 0.000 1.028 133 E CA -0.135 56.433 56.400 0.280 0.000 0.890 133 E CB 0.525 30.447 29.700 0.369 0.000 1.004 133 E HN 0.459 nan 8.360 nan 0.000 0.431 134 D N 2.894 123.391 120.400 0.162 0.000 2.221 134 D HA -0.194 4.445 4.640 -0.000 0.000 0.204 134 D C 1.627 177.969 176.300 0.070 0.000 0.982 134 D CA 1.138 55.206 54.000 0.113 0.000 0.857 134 D CB 0.068 40.913 40.800 0.075 0.000 0.934 134 D HN 0.420 nan 8.370 nan 0.000 0.475 135 K N -0.333 120.086 120.400 0.032 0.000 2.103 135 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 135 K C 1.555 178.020 176.600 -0.224 0.000 1.048 135 K CA 1.277 57.487 56.287 -0.129 0.000 0.930 135 K CB -0.040 32.323 32.500 -0.228 0.000 0.716 135 K HN 0.224 nan 8.250 nan 0.000 0.444 136 Y N -0.534 119.805 120.300 0.064 0.000 2.464 136 Y HA 0.158 4.708 4.550 -0.000 0.000 0.288 136 Y C 0.430 176.352 175.900 0.036 0.000 1.133 136 Y CA -0.316 57.813 58.100 0.049 0.000 1.223 136 Y CB 0.860 39.346 38.460 0.043 0.000 1.187 136 Y HN -0.258 nan 8.280 nan 0.000 0.539 137 V N 2.341 122.376 119.914 0.203 0.000 2.328 137 V HA 0.169 4.289 4.120 -0.000 0.000 0.278 137 V C 0.315 176.483 176.094 0.125 0.000 1.021 137 V CA -0.668 61.710 62.300 0.130 0.000 0.838 137 V CB 1.410 33.310 31.823 0.128 0.000 0.999 137 V HN 0.164 nan 8.190 nan 0.000 0.447 138 K N 2.463 122.931 120.400 0.113 0.000 2.262 138 K HA 0.191 4.511 4.320 -0.000 0.000 0.200 138 K C 0.685 177.339 176.600 0.090 0.000 1.049 138 K CA 0.602 56.947 56.287 0.097 0.000 0.979 138 K CB 0.364 32.925 32.500 0.101 0.000 0.773 138 K HN 0.809 nan 8.250 nan 0.000 0.474 139 S N -0.887 114.860 115.700 0.079 0.000 2.578 139 S HA 0.528 4.998 4.470 -0.000 0.000 0.272 139 S C -0.479 174.100 174.600 -0.034 0.000 1.145 139 S CA -1.147 57.068 58.200 0.025 0.000 0.835 139 S CB 0.998 64.202 63.200 0.007 0.000 1.104 139 S HN 0.248 nan 8.310 nan 0.000 0.458 140 C N 0.211 119.497 119.300 -0.024 0.000 3.236 140 C HA 1.051 5.511 4.460 -0.000 0.000 0.312 140 C C -0.955 174.010 174.990 -0.041 0.000 1.374 140 C CA -0.676 58.318 59.018 -0.040 0.000 1.455 140 C CB 1.661 29.436 27.740 0.057 0.000 1.834 140 C HN 1.523 nan 8.230 nan 0.000 0.460 141 R N 0.166 120.636 120.500 -0.050 0.000 2.728 141 R HA 0.736 5.076 4.340 -0.000 0.000 0.274 141 R C -2.391 173.865 176.300 -0.074 0.000 1.032 141 R CA -0.754 55.324 56.100 -0.037 0.000 0.866 141 R CB 0.304 30.573 30.300 -0.051 0.000 1.263 141 R HN 0.962 nan 8.270 nan 0.000 0.475 142 I N 1.520 122.037 120.570 -0.088 0.000 2.548 142 I HA 0.503 4.673 4.170 -0.000 0.000 0.287 142 I C -0.361 175.657 176.117 -0.165 0.000 1.103 142 I CA -0.873 60.276 61.300 -0.251 0.000 1.049 142 I CB 2.315 39.981 38.000 -0.555 0.000 1.232 142 I HN 0.756 nan 8.210 nan 0.000 0.429 143 R N 4.672 125.105 120.500 -0.111 0.000 2.867 143 R HA 0.968 5.308 4.340 -0.000 0.000 0.268 143 R C -0.936 175.432 176.300 0.114 0.000 1.014 143 R CA -0.626 55.518 56.100 0.074 0.000 0.946 143 R CB 2.074 32.363 30.300 -0.019 0.000 1.208 143 R HN 0.770 nan 8.270 nan 0.000 0.477 144 C N -1.210 118.216 119.300 0.210 0.000 3.332 144 C HA 0.959 5.419 4.460 -0.000 0.000 0.329 144 C C -0.054 174.957 174.990 0.035 0.000 1.434 144 C CA -0.416 58.682 59.018 0.134 0.000 1.314 144 C CB 1.211 29.108 27.740 0.262 0.000 1.664 144 C HN 1.095 nan 8.230 nan 0.000 0.457 145 G N 0.827 109.627 108.800 0.001 0.000 2.453 145 G HA2 0.832 4.792 3.960 -0.000 0.000 0.323 145 G HA3 0.832 4.792 3.960 -0.000 0.000 0.323 145 G C -1.308 173.553 174.900 -0.065 0.000 1.198 145 G CA -0.507 44.577 45.100 -0.028 0.000 0.959 145 G HN 0.875 nan 8.290 nan 0.000 0.482 146 R N -0.224 120.235 120.500 -0.067 0.000 2.680 146 R HA 0.639 4.979 4.340 -0.000 0.000 0.269 146 R C -1.162 175.124 176.300 -0.024 0.000 1.026 146 R CA -0.723 55.329 56.100 -0.080 0.000 0.889 146 R CB 1.904 32.112 30.300 -0.152 0.000 1.241 146 R HN 0.569 nan 8.270 nan 0.000 0.463 147 S N 0.025 115.729 115.700 0.006 0.000 2.599 147 S HA 0.533 5.003 4.470 -0.000 0.000 0.294 147 S C -0.460 174.245 174.600 0.175 0.000 1.094 147 S CA -0.780 57.446 58.200 0.043 0.000 0.931 147 S CB 2.466 65.578 63.200 -0.148 0.000 1.093 147 S HN 0.255 nan 8.310 nan 0.000 0.488 148 V N 2.446 122.578 119.914 0.363 0.000 2.461 148 V HA 0.298 4.417 4.120 -0.000 0.000 0.275 148 V C 0.400 176.588 176.094 0.157 0.000 1.047 148 V CA -0.540 61.869 62.300 0.181 0.000 0.955 148 V CB 0.853 32.709 31.823 0.055 0.000 0.988 148 V HN 0.791 nan 8.190 nan 0.000 0.471 149 K N 3.476 123.937 120.400 0.103 0.000 2.382 149 K HA 0.444 4.764 4.320 -0.000 0.000 0.275 149 K C 1.203 177.840 176.600 0.061 0.000 1.009 149 K CA 1.034 57.354 56.287 0.056 0.000 0.970 149 K CB 0.425 32.950 32.500 0.042 0.000 0.934 149 K HN 0.969 nan 8.250 nan 0.000 0.479 150 G N 1.542 110.356 108.800 0.025 0.000 2.225 150 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.254 150 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.254 150 G C -0.252 174.695 174.900 0.078 0.000 0.988 150 G CA 0.178 45.310 45.100 0.054 0.000 0.625 150 G HN 0.523 nan 8.290 nan 0.000 0.527 151 V N 1.079 121.047 119.914 0.091 0.000 2.612 151 V HA 0.579 4.699 4.120 -0.000 0.000 0.301 151 V C 1.354 177.549 176.094 0.168 0.000 1.046 151 V CA -0.760 61.608 62.300 0.113 0.000 0.946 151 V CB 1.557 33.413 31.823 0.055 0.000 1.003 151 V HN 0.433 nan 8.190 nan 0.000 0.459 152 C N 3.627 123.024 119.300 0.162 0.000 2.700 152 C HA 0.341 4.801 4.460 -0.000 0.000 0.397 152 C C 0.654 175.792 174.990 0.245 0.000 1.301 152 C CA -0.521 58.600 59.018 0.172 0.000 2.219 152 C CB -0.524 27.305 27.740 0.149 0.000 2.699 152 C HN 0.659 nan 8.230 nan 0.000 0.669 153 L N 3.356 124.668 121.223 0.148 0.000 2.439 153 L HA 0.226 4.566 4.340 -0.000 0.000 0.261 153 L C -1.272 175.687 176.870 0.149 0.000 1.153 153 L CA -1.155 53.719 54.840 0.055 0.000 0.808 153 L CB 0.154 42.219 42.059 0.010 0.000 1.126 153 L HN 0.434 nan 8.230 nan 0.000 0.460 154 P HA -0.172 nan 4.420 nan 0.000 0.218 154 P C -1.551 175.827 177.300 0.131 0.000 1.152 154 P CA 1.525 64.721 63.100 0.160 0.000 0.857 154 P CB -0.681 31.100 31.700 0.135 0.000 0.787 155 P HA -0.153 nan 4.420 nan 0.000 0.215 155 P C 1.152 178.518 177.300 0.109 0.000 1.157 155 P CA 2.241 65.403 63.100 0.104 0.000 0.874 155 P CB -0.508 31.253 31.700 0.103 0.000 0.790 156 A N -1.646 121.247 122.820 0.122 0.000 2.343 156 A HA 0.252 4.572 4.320 -0.000 0.000 0.223 156 A C 1.157 178.808 177.584 0.113 0.000 1.214 156 A CA -0.203 51.904 52.037 0.117 0.000 0.900 156 A CB -0.941 18.138 19.000 0.131 0.000 0.942 156 A HN 0.198 nan 8.150 nan 0.000 0.507 157 M N 0.421 120.095 119.600 0.125 0.000 2.226 157 M HA 0.478 4.958 4.480 -0.000 0.000 0.324 157 M C 0.220 176.574 176.300 0.089 0.000 1.112 157 M CA 0.131 55.501 55.300 0.117 0.000 1.176 157 M CB 0.466 33.154 32.600 0.147 0.000 1.430 157 M HN 0.208 nan 8.290 nan 0.000 0.462 158 S N 1.087 116.829 115.700 0.069 0.000 2.722 158 S HA 0.447 4.917 4.470 -0.000 0.000 0.292 158 S C 0.738 175.361 174.600 0.039 0.000 1.135 158 S CA -0.920 57.313 58.200 0.054 0.000 1.003 158 S CB 1.772 64.999 63.200 0.046 0.000 1.067 158 S HN 0.895 nan 8.310 nan 0.000 0.546 159 R N 0.233 120.753 120.500 0.034 0.000 2.096 159 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 159 R C 2.517 178.821 176.300 0.006 0.000 1.139 159 R CA 1.732 57.844 56.100 0.020 0.000 0.952 159 R CB -1.039 29.273 30.300 0.021 0.000 0.854 159 R HN 0.842 nan 8.270 nan 0.000 0.436 160 A N 0.691 123.516 122.820 0.009 0.000 1.969 160 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 160 A C 1.876 179.453 177.584 -0.011 0.000 1.169 160 A CA 1.297 53.334 52.037 0.001 0.000 0.635 160 A CB -0.293 18.712 19.000 0.009 0.000 0.810 160 A HN 0.352 nan 8.150 nan 0.000 0.445 161 E N -0.738 119.458 120.200 -0.005 0.000 2.031 161 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 161 E C 2.343 178.900 176.600 -0.073 0.000 0.994 161 E CA 1.041 57.426 56.400 -0.024 0.000 0.800 161 E CB -0.173 29.532 29.700 0.008 0.000 0.752 161 E HN 0.536 nan 8.360 nan 0.000 0.447 162 R N 0.672 121.141 120.500 -0.051 0.000 2.105 162 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 162 R C 2.299 178.551 176.300 -0.078 0.000 1.135 162 R CA 1.430 57.489 56.100 -0.069 0.000 0.967 162 R CB 0.013 30.301 30.300 -0.020 0.000 0.861 162 R HN -0.054 nan 8.270 nan 0.000 0.442 163 R N 0.205 120.672 120.500 -0.055 0.000 2.092 163 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 163 R C 2.211 178.465 176.300 -0.076 0.000 1.119 163 R CA 0.888 56.957 56.100 -0.052 0.000 0.970 163 R CB -0.332 29.949 30.300 -0.031 0.000 0.864 163 R HN 0.232 nan 8.270 nan 0.000 0.440 164 L N 0.185 121.356 121.223 -0.088 0.000 2.027 164 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 164 L C 1.826 178.583 176.870 -0.189 0.000 1.074 164 L CA 1.618 56.389 54.840 -0.114 0.000 0.745 164 L CB -0.470 41.538 42.059 -0.084 0.000 0.898 164 L HN 0.086 nan 8.230 nan 0.000 0.433 165 V N 0.565 120.350 119.914 -0.215 0.000 2.324 165 V HA -0.332 3.787 4.120 -0.000 0.000 0.250 165 V C 2.622 178.582 176.094 -0.224 0.000 1.060 165 V CA 2.206 64.343 62.300 -0.272 0.000 1.042 165 V CB -0.523 31.071 31.823 -0.381 0.000 0.650 165 V HN 0.549 nan 8.190 nan 0.000 0.450 166 E N -0.139 119.960 120.200 -0.168 0.000 2.051 166 E HA -0.277 4.073 4.350 -0.000 0.000 0.192 166 E C 2.328 178.804 176.600 -0.207 0.000 0.991 166 E CA 1.566 57.876 56.400 -0.151 0.000 0.799 166 E CB -0.060 29.603 29.700 -0.061 0.000 0.748 166 E HN 0.544 nan 8.360 nan 0.000 0.449 167 K N -0.066 120.233 120.400 -0.168 0.000 1.991 167 K HA -0.157 4.163 4.320 -0.000 0.000 0.212 167 K C 2.144 178.613 176.600 -0.218 0.000 1.049 167 K CA 1.623 57.810 56.287 -0.167 0.000 0.932 167 K CB -0.149 32.279 32.500 -0.120 0.000 0.717 167 K HN 0.022 nan 8.250 nan 0.000 0.441 168 V N 0.548 120.298 119.914 -0.274 0.000 2.324 168 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 168 V C 2.156 178.088 176.094 -0.269 0.000 1.060 168 V CA 1.692 63.789 62.300 -0.339 0.000 1.042 168 V CB -0.287 31.214 31.823 -0.537 0.000 0.650 168 V HN 0.147 nan 8.190 nan 0.000 0.450 169 V N 0.346 120.096 119.914 -0.274 0.000 2.374 169 V HA -0.129 3.991 4.120 -0.000 0.000 0.241 169 V C 2.651 178.525 176.094 -0.366 0.000 1.034 169 V CA 1.718 63.848 62.300 -0.282 0.000 1.037 169 V CB -0.503 31.176 31.823 -0.241 0.000 0.682 169 V HN 0.722 nan 8.190 nan 0.000 0.463 170 S N 0.558 115.991 115.700 -0.445 0.000 2.383 170 S HA -0.281 4.188 4.470 -0.000 0.000 0.229 170 S C 1.578 175.961 174.600 -0.363 0.000 1.030 170 S CA 1.976 59.815 58.200 -0.602 0.000 1.002 170 S CB -0.616 62.031 63.200 -0.923 0.000 0.829 170 S HN 0.571 nan 8.310 nan 0.000 0.467 171 D N 2.392 122.635 120.400 -0.262 0.000 2.117 171 D HA 0.156 4.796 4.640 -0.000 0.000 0.198 171 D C 2.283 178.485 176.300 -0.164 0.000 0.982 171 D CA 1.434 55.333 54.000 -0.167 0.000 0.828 171 D CB -0.741 39.984 40.800 -0.125 0.000 0.967 171 D HN 0.565 nan 8.370 nan 0.000 0.464 172 A N 0.214 122.915 122.820 -0.199 0.000 2.015 172 A HA -0.059 4.260 4.320 -0.000 0.000 0.219 172 A C 2.225 179.649 177.584 -0.266 0.000 1.163 172 A CA 0.735 52.656 52.037 -0.193 0.000 0.646 172 A CB -0.595 18.296 19.000 -0.183 0.000 0.806 172 A HN 0.203 nan 8.150 nan 0.000 0.448 173 L N -0.939 120.035 121.223 -0.415 0.000 2.156 173 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 173 L C 2.687 179.370 176.870 -0.312 0.000 1.095 173 L CA 0.814 55.241 54.840 -0.688 0.000 0.770 173 L CB -0.507 40.720 42.059 -1.387 0.000 0.914 173 L HN 0.462 nan 8.230 nan 0.000 0.439 174 G N -0.451 108.270 108.800 -0.132 0.000 2.498 174 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.219 174 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.219 174 G C 1.456 176.369 174.900 0.020 0.000 1.119 174 G CA 0.614 45.737 45.100 0.038 0.000 0.766 174 G HN 0.488 nan 8.290 nan 0.000 0.552 175 G N -0.088 108.689 108.800 -0.038 0.000 2.920 175 G HA2 0.280 4.240 3.960 -0.000 0.000 0.208 175 G HA3 0.280 4.240 3.960 -0.000 0.000 0.208 175 G C 0.512 175.408 174.900 -0.006 0.000 1.159 175 G CA -0.447 44.638 45.100 -0.025 0.000 0.784 175 G HN 0.360 nan 8.290 nan 0.000 0.535 176 L N 1.441 122.677 121.223 0.021 0.000 2.290 176 L HA 0.377 4.717 4.340 -0.000 0.000 0.284 176 L C 0.344 177.274 176.870 0.100 0.000 1.078 176 L CA -0.395 54.481 54.840 0.061 0.000 0.815 176 L CB 1.131 43.257 42.059 0.112 0.000 1.162 176 L HN 0.116 nan 8.230 nan 0.000 0.435 177 K N 1.959 122.394 120.400 0.059 0.000 2.307 177 K HA 0.829 5.149 4.320 -0.000 0.000 0.239 177 K C 0.380 177.006 176.600 0.044 0.000 1.083 177 K CA -0.366 55.953 56.287 0.053 0.000 0.913 177 K CB 1.204 33.722 32.500 0.030 0.000 1.322 177 K HN 0.620 nan 8.250 nan 0.000 0.514 178 G N 1.544 110.363 108.800 0.032 0.000 2.528 178 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.262 178 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.262 178 G C 0.361 175.279 174.900 0.029 0.000 1.200 178 G CA 0.683 45.795 45.100 0.020 0.000 0.951 178 G HN 0.860 nan 8.290 nan 0.000 0.566 179 D N 0.662 121.070 120.400 0.013 0.000 2.350 179 D HA 0.008 4.648 4.640 -0.000 0.000 0.216 179 D C 2.313 178.639 176.300 0.042 0.000 0.968 179 D CA 1.361 55.372 54.000 0.018 0.000 0.894 179 D CB -0.255 40.539 40.800 -0.010 0.000 0.909 179 D HN 0.525 nan 8.370 nan 0.000 0.520 180 L N -0.024 121.230 121.223 0.052 0.000 2.591 180 L HA 0.288 4.628 4.340 -0.000 0.000 0.228 180 L C 1.161 178.225 176.870 0.324 0.000 1.133 180 L CA -0.280 54.654 54.840 0.158 0.000 0.880 180 L CB -0.201 41.895 42.059 0.063 0.000 1.033 180 L HN -0.029 nan 8.230 nan 0.000 0.450 181 A N 0.282 123.221 122.820 0.199 0.000 2.440 181 A HA 0.591 4.911 4.320 -0.000 0.000 0.251 181 A C 0.508 178.161 177.584 0.114 0.000 1.089 181 A CA 0.507 52.665 52.037 0.203 0.000 0.779 181 A CB 0.312 19.378 19.000 0.109 0.000 1.022 181 A HN 0.291 nan 8.150 nan 0.000 0.492 182 G N 0.922 109.779 108.800 0.095 0.000 2.846 182 G HA2 0.680 4.640 3.960 -0.000 0.000 0.299 182 G HA3 0.680 4.640 3.960 -0.000 0.000 0.299 182 G C -0.999 173.716 174.900 -0.308 0.000 1.242 182 G CA -0.264 44.616 45.100 -0.367 0.000 0.800 182 G HN 1.093 nan 8.290 nan 0.000 0.538 183 K N -1.610 118.385 120.400 -0.675 0.000 2.536 183 K HA 0.633 4.953 4.320 -0.000 0.000 0.269 183 K C -2.111 174.259 176.600 -0.384 0.000 0.965 183 K CA -0.997 55.054 56.287 -0.394 0.000 0.860 183 K CB 2.461 34.716 32.500 -0.408 0.000 1.423 183 K HN 0.466 nan 8.250 nan 0.000 0.438 184 Y N 1.624 121.802 120.300 -0.203 0.000 2.328 184 Y HA 0.379 4.929 4.550 -0.000 0.000 0.337 184 Y C -1.620 174.124 175.900 -0.261 0.000 1.008 184 Y CA -1.006 57.095 58.100 0.001 0.000 1.129 184 Y CB 0.946 39.511 38.460 0.175 0.000 1.185 184 Y HN 0.549 nan 8.280 nan 0.000 0.476 185 Y N 7.698 127.725 120.300 -0.455 0.000 2.587 185 Y HA 0.389 4.939 4.550 -0.000 0.000 0.328 185 Y C -2.266 173.194 175.900 -0.733 0.000 0.980 185 Y CA -2.839 54.992 58.100 -0.449 0.000 1.272 185 Y CB 0.734 39.096 38.460 -0.164 0.000 1.094 185 Y HN 0.558 nan 8.280 nan 0.000 0.503 186 P HA 0.030 nan 4.420 nan 0.000 0.267 186 P C 0.867 178.022 177.300 -0.242 0.000 1.205 186 P CA 0.192 63.014 63.100 -0.463 0.000 0.765 186 P CB 0.971 32.523 31.700 -0.248 0.000 0.828 187 L N 2.126 123.207 121.223 -0.237 0.000 2.083 187 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 187 L C 2.267 179.029 176.870 -0.181 0.000 1.083 187 L CA 2.286 56.974 54.840 -0.252 0.000 0.752 187 L CB -0.939 40.890 42.059 -0.383 0.000 0.899 187 L HN 0.462 nan 8.230 nan 0.000 0.433 188 T N -2.411 112.047 114.554 -0.160 0.000 3.088 188 T HA -0.054 4.296 4.350 -0.000 0.000 0.259 188 T C 1.393 176.048 174.700 -0.074 0.000 1.122 188 T CA 1.279 63.310 62.100 -0.115 0.000 1.095 188 T CB -0.139 68.665 68.868 -0.107 0.000 0.930 188 T HN 0.455 nan 8.240 nan 0.000 0.508 189 T N -1.004 113.505 114.554 -0.075 0.000 3.043 189 T HA 0.405 4.755 4.350 -0.000 0.000 0.272 189 T C 0.403 175.075 174.700 -0.046 0.000 0.990 189 T CA -0.568 61.501 62.100 -0.051 0.000 0.897 189 T CB -0.376 68.467 68.868 -0.041 0.000 1.111 189 T HN 0.262 nan 8.240 nan 0.000 0.529 190 M N 4.918 124.482 119.600 -0.061 0.000 2.226 190 M HA 0.048 4.527 4.480 -0.000 0.000 0.377 190 M C 0.297 176.582 176.300 -0.026 0.000 1.309 190 M CA -0.136 55.139 55.300 -0.041 0.000 0.874 190 M CB 0.005 32.561 32.600 -0.072 0.000 1.902 190 M HN 0.462 nan 8.290 nan 0.000 0.485 191 N N 3.520 122.216 118.700 -0.006 0.000 2.485 191 N HA 0.218 4.958 4.740 -0.000 0.000 0.280 191 N C -0.106 175.395 175.510 -0.016 0.000 1.205 191 N CA -0.300 52.746 53.050 -0.007 0.000 0.959 191 N CB 0.542 39.031 38.487 0.004 0.000 1.206 191 N HN 0.799 nan 8.380 nan 0.000 0.545 192 E N 0.215 120.405 120.200 -0.017 0.000 2.333 192 E HA -0.169 4.180 4.350 -0.000 0.000 0.198 192 E C 0.877 177.463 176.600 -0.023 0.000 1.007 192 E CA 1.057 57.443 56.400 -0.023 0.000 0.845 192 E CB -0.051 29.638 29.700 -0.019 0.000 0.766 192 E HN 0.548 nan 8.360 nan 0.000 0.507 193 K N 0.870 121.263 120.400 -0.012 0.000 2.029 193 K HA -0.034 4.285 4.320 -0.000 0.000 0.205 193 K C 1.651 178.243 176.600 -0.013 0.000 1.042 193 K CA 1.055 57.338 56.287 -0.006 0.000 0.949 193 K CB -0.171 32.335 32.500 0.010 0.000 0.740 193 K HN 0.006 nan 8.250 nan 0.000 0.442 194 D N 1.374 121.776 120.400 0.003 0.000 2.182 194 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 194 D C 2.061 178.290 176.300 -0.119 0.000 0.986 194 D CA 1.275 55.258 54.000 -0.030 0.000 0.847 194 D CB -0.041 40.804 40.800 0.074 0.000 0.942 194 D HN 0.330 nan 8.370 nan 0.000 0.467 195 Q N 0.834 120.583 119.800 -0.085 0.000 2.083 195 Q HA -0.131 4.209 4.340 -0.000 0.000 0.198 195 Q C 1.820 177.760 176.000 -0.099 0.000 0.969 195 Q CA 1.200 56.942 55.803 -0.102 0.000 0.838 195 Q CB 0.073 28.764 28.738 -0.078 0.000 0.900 195 Q HN 0.230 nan 8.270 nan 0.000 0.436 196 E N -0.168 119.985 120.200 -0.078 0.000 2.118 196 E HA -0.228 4.121 4.350 -0.000 0.000 0.195 196 E C 2.203 178.748 176.600 -0.092 0.000 0.992 196 E CA 0.971 57.326 56.400 -0.075 0.000 0.804 196 E CB 0.035 29.702 29.700 -0.054 0.000 0.741 196 E HN 0.344 nan 8.360 nan 0.000 0.458 197 Q N 0.603 120.342 119.800 -0.100 0.000 2.020 197 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 197 Q C 2.302 178.197 176.000 -0.174 0.000 0.982 197 Q CA 1.253 56.984 55.803 -0.121 0.000 0.838 197 Q CB -0.340 28.334 28.738 -0.106 0.000 0.899 197 Q HN 0.339 nan 8.270 nan 0.000 0.423 198 L N -0.283 120.829 121.223 -0.184 0.000 2.141 198 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 198 L C 2.362 179.153 176.870 -0.131 0.000 1.094 198 L CA 0.570 55.309 54.840 -0.168 0.000 0.763 198 L CB -0.378 41.602 42.059 -0.133 0.000 0.908 198 L HN 0.183 nan 8.230 nan 0.000 0.437 199 I N -0.127 120.369 120.570 -0.123 0.000 2.142 199 I HA -0.316 3.854 4.170 -0.000 0.000 0.240 199 I C 2.629 178.640 176.117 -0.176 0.000 1.078 199 I CA 1.428 62.646 61.300 -0.137 0.000 1.343 199 I CB -0.275 37.651 38.000 -0.124 0.000 1.046 199 I HN 0.301 nan 8.210 nan 0.000 0.405 200 E N 0.835 120.956 120.200 -0.131 0.000 2.130 200 E HA -0.285 4.064 4.350 -0.000 0.000 0.196 200 E C 1.364 177.940 176.600 -0.040 0.000 0.998 200 E CA 1.697 58.052 56.400 -0.075 0.000 0.806 200 E CB 0.060 29.706 29.700 -0.090 0.000 0.738 200 E HN 0.438 nan 8.360 nan 0.000 0.459 201 D N -0.796 119.449 120.400 -0.257 0.000 2.347 201 D HA -0.062 4.577 4.640 -0.000 0.000 0.215 201 D C -0.177 175.860 176.300 -0.438 0.000 0.976 201 D CA 0.618 54.242 54.000 -0.627 0.000 0.884 201 D CB -0.051 39.905 40.800 -1.406 0.000 0.915 201 D HN 0.359 nan 8.370 nan 0.000 0.526 202 H N -1.610 117.295 119.070 -0.275 0.000 2.903 202 H HA -0.176 4.380 4.556 -0.000 0.000 0.285 202 H C 0.199 175.748 175.328 0.368 0.000 1.231 202 H CA 0.059 56.129 56.048 0.037 0.000 1.135 202 H CB -1.584 28.221 29.762 0.072 0.000 1.328 202 H HN 0.184 nan 8.280 nan 0.000 0.388 203 F N -0.215 119.881 119.950 0.244 0.000 2.622 203 F HA 0.157 4.683 4.527 -0.000 0.000 0.288 203 F C 1.494 177.601 175.800 0.511 0.000 1.120 203 F CA -0.334 57.890 58.000 0.373 0.000 1.423 203 F CB -0.104 39.010 39.000 0.191 0.000 1.127 203 F HN 0.030 nan 8.300 nan 0.000 0.588 204 L N 1.721 123.167 121.223 0.371 0.000 2.543 204 L HA 0.027 4.367 4.340 -0.000 0.000 0.285 204 L C -0.212 176.674 176.870 0.027 0.000 1.236 204 L CA 0.331 55.219 54.840 0.080 0.000 0.871 204 L CB -0.156 41.886 42.059 -0.028 0.000 1.121 204 L HN 0.069 nan 8.230 nan 0.000 0.501 205 F N 1.296 121.008 119.950 -0.395 0.000 2.579 205 F HA 0.789 5.316 4.527 -0.000 0.000 0.324 205 F C -0.239 175.471 175.800 -0.150 0.000 1.058 205 F CA -0.941 56.765 58.000 -0.491 0.000 0.944 205 F CB 1.044 39.342 39.000 -1.170 0.000 1.245 205 F HN 0.486 nan 8.300 nan 0.000 0.477 206 E N 0.138 120.379 120.200 0.068 0.000 2.303 206 E HA 0.281 4.631 4.350 -0.000 0.000 0.254 206 E C -1.338 175.158 176.600 -0.172 0.000 0.979 206 E CA -1.469 54.945 56.400 0.023 0.000 0.843 206 E CB 1.442 31.099 29.700 -0.072 0.000 1.245 206 E HN 0.571 nan 8.360 nan 0.000 0.413 207 K N 2.052 122.034 120.400 -0.696 0.000 2.436 207 K HA 0.100 4.420 4.320 -0.000 0.000 0.282 207 K C -2.284 173.872 176.600 -0.740 0.000 1.044 207 K CA -1.311 54.047 56.287 -1.549 0.000 1.028 207 K CB 0.064 31.771 32.500 -1.322 0.000 0.919 207 K HN 0.092 nan 8.250 nan 0.000 0.474 208 P HA -0.085 nan 4.420 nan 0.000 0.263 208 P C 0.012 177.173 177.300 -0.233 0.000 1.175 208 P CA 0.312 63.233 63.100 -0.298 0.000 0.761 208 P CB 0.714 32.291 31.700 -0.206 0.000 0.794 209 T N -0.947 113.519 114.554 -0.148 0.000 2.971 209 T HA 0.240 4.590 4.350 -0.000 0.000 0.252 209 T C 1.025 175.684 174.700 -0.067 0.000 1.022 209 T CA 0.054 62.091 62.100 -0.105 0.000 0.980 209 T CB -0.313 68.502 68.868 -0.089 0.000 1.044 209 T HN 0.412 nan 8.240 nan 0.000 0.501 210 G N 0.555 109.321 108.800 -0.056 0.000 2.699 210 G HA2 0.463 4.423 3.960 -0.000 0.000 0.246 210 G HA3 0.463 4.423 3.960 -0.000 0.000 0.246 210 G C 1.096 175.977 174.900 -0.032 0.000 1.219 210 G CA -0.146 44.933 45.100 -0.034 0.000 0.866 210 G HN 0.404 nan 8.290 nan 0.000 0.572 211 A N 0.798 123.604 122.820 -0.023 0.000 1.903 211 A HA 0.074 4.393 4.320 -0.000 0.000 0.213 211 A C 2.303 179.877 177.584 -0.017 0.000 1.185 211 A CA 1.224 53.248 52.037 -0.021 0.000 0.628 211 A CB -0.594 18.394 19.000 -0.021 0.000 0.830 211 A HN 0.660 nan 8.150 nan 0.000 0.446 212 L N -0.385 120.829 121.223 -0.014 0.000 1.963 212 L HA -0.208 4.132 4.340 -0.000 0.000 0.220 212 L C 2.246 179.114 176.870 -0.004 0.000 1.076 212 L CA 1.644 56.479 54.840 -0.009 0.000 0.772 212 L CB -0.254 41.799 42.059 -0.010 0.000 0.892 212 L HN 0.263 nan 8.230 nan 0.000 0.435 213 L N -0.174 121.045 121.223 -0.007 0.000 2.141 213 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 213 L C 2.790 179.659 176.870 -0.002 0.000 1.094 213 L CA 2.187 57.027 54.840 -0.001 0.000 0.763 213 L CB -2.000 40.053 42.059 -0.011 0.000 0.908 213 L HN 0.564 nan 8.230 nan 0.000 0.437 214 T N -3.569 110.974 114.554 -0.018 0.000 2.770 214 T HA -0.143 4.207 4.350 -0.000 0.000 0.258 214 T C 1.858 176.558 174.700 -0.000 0.000 1.039 214 T CA 1.579 63.668 62.100 -0.017 0.000 1.143 214 T CB -0.964 67.884 68.868 -0.033 0.000 0.866 214 T HN 0.376 nan 8.240 nan 0.000 0.428 215 T N 1.366 115.918 114.554 -0.003 0.000 2.881 215 T HA -0.096 4.254 4.350 -0.000 0.000 0.270 215 T C 2.220 176.926 174.700 0.010 0.000 1.068 215 T CA 1.479 63.580 62.100 0.001 0.000 1.131 215 T CB -0.839 68.025 68.868 -0.006 0.000 0.871 215 T HN 0.607 nan 8.240 nan 0.000 0.479 216 S N 0.426 116.135 115.700 0.016 0.000 2.528 216 S HA 0.437 4.907 4.470 -0.000 0.000 0.219 216 S C 1.867 176.494 174.600 0.046 0.000 0.985 216 S CA 0.419 58.636 58.200 0.028 0.000 0.914 216 S CB -0.469 62.748 63.200 0.028 0.000 0.776 216 S HN 1.278 nan 8.310 nan 0.000 0.526 217 G N -0.237 108.591 108.800 0.047 0.000 2.159 217 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.227 217 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.227 217 G C 0.484 175.437 174.900 0.089 0.000 0.986 217 G CA -0.103 45.037 45.100 0.066 0.000 0.651 217 G HN 0.574 nan 8.290 nan 0.000 0.523 218 C N 1.044 120.395 119.300 0.085 0.000 2.578 218 C HA 0.630 5.090 4.460 -0.000 0.000 0.285 218 C C 2.266 177.355 174.990 0.164 0.000 1.297 218 C CA 0.927 60.017 59.018 0.121 0.000 1.690 218 C CB -0.946 26.851 27.740 0.096 0.000 1.773 218 C HN 0.940 nan 8.230 nan 0.000 0.594 219 A N -0.147 122.750 122.820 0.127 0.000 2.508 219 A HA 0.296 4.616 4.320 -0.000 0.000 0.257 219 A C 0.618 178.336 177.584 0.223 0.000 1.226 219 A CA -0.300 51.818 52.037 0.135 0.000 0.947 219 A CB -0.010 18.962 19.000 -0.045 0.000 1.079 219 A HN 0.559 nan 8.150 nan 0.000 0.531 220 R N 1.408 122.025 120.500 0.194 0.000 2.590 220 R HA 0.300 4.640 4.340 -0.000 0.000 0.274 220 R C -0.455 175.969 176.300 0.207 0.000 1.061 220 R CA 0.397 56.596 56.100 0.165 0.000 1.081 220 R CB 0.133 30.505 30.300 0.120 0.000 0.984 220 R HN 0.295 nan 8.270 nan 0.000 0.448 221 D N -0.092 120.414 120.400 0.177 0.000 3.051 221 D HA -0.219 4.421 4.640 -0.000 0.000 0.218 221 D C -0.748 175.649 176.300 0.161 0.000 1.129 221 D CA 0.680 54.762 54.000 0.137 0.000 0.868 221 D CB -1.023 39.829 40.800 0.086 0.000 1.100 221 D HN 0.549 nan 8.370 nan 0.000 0.429 222 W N 1.871 123.189 121.300 0.030 0.000 2.181 222 W HA 0.164 4.824 4.660 -0.000 0.000 0.335 222 W C -1.377 175.149 176.519 0.012 0.000 1.310 222 W CA -0.578 56.784 57.345 0.027 0.000 1.226 222 W CB 0.505 29.979 29.460 0.023 0.000 1.155 222 W HN -0.044 nan 8.180 nan 0.000 0.565 223 P HA 0.037 nan 4.420 nan 0.000 0.259 223 P C -0.585 176.414 177.300 -0.501 0.000 1.530 223 P CA 0.034 62.645 63.100 -0.815 0.000 1.022 223 P CB -0.257 31.114 31.700 -0.549 0.000 1.514 224 D N 0.645 120.897 120.400 -0.246 0.000 2.412 224 D HA 0.285 4.925 4.640 -0.000 0.000 0.257 224 D C 1.530 177.741 176.300 -0.149 0.000 1.217 224 D CA 1.635 55.549 54.000 -0.143 0.000 0.897 224 D CB -0.265 40.501 40.800 -0.056 0.000 1.132 224 D HN 0.242 nan 8.370 nan 0.000 0.493 225 G N 3.515 112.246 108.800 -0.114 0.000 2.194 225 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.236 225 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.236 225 G C 0.102 174.972 174.900 -0.051 0.000 0.987 225 G CA -0.195 44.864 45.100 -0.068 0.000 0.635 225 G HN 0.573 nan 8.290 nan 0.000 0.520 226 R N 0.767 121.179 120.500 -0.148 0.000 2.486 226 R HA 0.789 5.128 4.340 -0.000 0.000 0.286 226 R C 0.349 176.682 176.300 0.055 0.000 0.999 226 R CA 0.004 56.077 56.100 -0.045 0.000 0.993 226 R CB 1.325 31.487 30.300 -0.230 0.000 1.084 226 R HN 0.975 nan 8.270 nan 0.000 0.487 227 G N 0.897 109.882 108.800 0.308 0.000 2.623 227 G HA2 0.593 4.553 3.960 -0.000 0.000 0.290 227 G HA3 0.593 4.553 3.960 -0.000 0.000 0.290 227 G C -1.353 173.866 174.900 0.532 0.000 1.437 227 G CA -0.779 44.490 45.100 0.282 0.000 0.798 227 G HN 0.373 nan 8.290 nan 0.000 0.488 228 I N 0.024 120.833 120.570 0.398 0.000 2.465 228 I HA 0.524 4.694 4.170 -0.000 0.000 0.291 228 I C -1.189 175.335 176.117 0.679 0.000 1.014 228 I CA -0.522 61.137 61.300 0.599 0.000 1.093 228 I CB 2.346 40.599 38.000 0.423 0.000 1.267 228 I HN 0.624 nan 8.210 nan 0.000 0.431 229 W N 7.680 129.269 121.300 0.483 0.000 2.739 229 W HA 0.527 5.187 4.660 -0.000 0.000 0.331 229 W C -1.155 175.510 176.519 0.244 0.000 1.049 229 W CA -0.272 57.288 57.345 0.358 0.000 1.234 229 W CB 0.977 30.600 29.460 0.273 0.000 1.404 229 W HN 0.559 nan 8.180 nan 0.000 0.477 230 H N 3.528 122.284 119.070 -0.523 0.000 2.895 230 H HA 0.424 4.980 4.556 -0.000 0.000 0.373 230 H C -0.601 174.058 175.328 -1.116 0.000 1.174 230 H CA -1.036 54.613 56.048 -0.666 0.000 1.144 230 H CB 1.273 30.859 29.762 -0.293 0.000 1.793 230 H HN 0.560 nan 8.280 nan 0.000 0.551 231 N N 1.529 119.887 118.700 -0.570 0.000 2.444 231 N HA -0.084 4.656 4.740 -0.000 0.000 0.255 231 N C 0.218 175.734 175.510 0.010 0.000 1.255 231 N CA -0.296 52.592 53.050 -0.271 0.000 0.933 231 N CB 0.345 38.897 38.487 0.107 0.000 1.143 231 N HN 0.585 nan 8.380 nan 0.000 0.453 232 N N 0.779 119.478 118.700 -0.002 0.000 2.364 232 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 232 N C 0.637 176.226 175.510 0.132 0.000 1.022 232 N CA 0.777 53.874 53.050 0.078 0.000 0.883 232 N CB -0.060 38.451 38.487 0.040 0.000 0.965 232 N HN 0.703 nan 8.380 nan 0.000 0.438 233 E N 0.746 121.018 120.200 0.120 0.000 2.427 233 E HA 0.025 4.375 4.350 -0.000 0.000 0.196 233 E C -0.194 176.496 176.600 0.150 0.000 1.028 233 E CA 0.087 56.556 56.400 0.115 0.000 0.864 233 E CB 0.085 29.840 29.700 0.092 0.000 0.813 233 E HN 0.230 nan 8.360 nan 0.000 0.514 234 K N 0.506 121.034 120.400 0.213 0.000 3.096 234 K HA -0.208 4.112 4.320 -0.000 0.000 0.266 234 K C -0.261 176.475 176.600 0.226 0.000 1.043 234 K CA 0.961 57.404 56.287 0.260 0.000 0.758 234 K CB -2.235 30.421 32.500 0.259 0.000 1.260 234 K HN 0.471 nan 8.250 nan 0.000 0.481 235 N N -0.178 118.634 118.700 0.186 0.000 2.305 235 N HA 0.159 4.899 4.740 -0.000 0.000 0.248 235 N C -0.824 174.855 175.510 0.282 0.000 1.290 235 N CA -0.597 52.562 53.050 0.183 0.000 0.873 235 N CB 0.561 39.135 38.487 0.144 0.000 1.261 235 N HN 0.078 nan 8.380 nan 0.000 0.504 236 F N 1.871 121.833 119.950 0.020 0.000 2.915 236 F HA 0.456 4.982 4.527 -0.000 0.000 0.350 236 F C -1.775 174.053 175.800 0.046 0.000 1.248 236 F CA -0.838 57.203 58.000 0.069 0.000 1.084 236 F CB 1.375 40.472 39.000 0.162 0.000 1.391 236 F HN -0.085 nan 8.300 nan 0.000 0.548 237 L N 6.677 127.699 121.223 -0.334 0.000 2.346 237 L HA 0.862 5.202 4.340 -0.000 0.000 0.276 237 L C -1.540 175.147 176.870 -0.304 0.000 1.006 237 L CA -0.796 53.831 54.840 -0.356 0.000 0.817 237 L CB 1.906 43.601 42.059 -0.607 0.000 1.272 237 L HN 0.369 nan 8.230 nan 0.000 0.421 238 V N 2.805 122.733 119.914 0.024 0.000 2.789 238 V HA 0.498 4.618 4.120 -0.000 0.000 0.311 238 V C -1.290 175.043 176.094 0.398 0.000 1.073 238 V CA -0.648 61.684 62.300 0.052 0.000 0.921 238 V CB 2.293 34.120 31.823 0.008 0.000 1.009 238 V HN 0.634 nan 8.190 nan 0.000 0.426 239 W N 3.974 125.321 121.300 0.079 0.000 2.587 239 W HA 0.706 5.366 4.660 -0.000 0.000 0.324 239 W C -0.493 176.048 176.519 0.038 0.000 1.040 239 W CA -1.494 55.914 57.345 0.104 0.000 1.222 239 W CB 1.439 30.782 29.460 -0.194 0.000 1.381 239 W HN 0.325 nan 8.180 nan 0.000 0.483 240 I N 4.847 125.628 120.570 0.353 0.000 2.354 240 I HA 0.134 4.304 4.170 -0.000 0.000 0.292 240 I C 0.335 176.543 176.117 0.152 0.000 0.989 240 I CA -0.579 60.843 61.300 0.202 0.000 1.188 240 I CB 0.923 39.037 38.000 0.190 0.000 1.342 240 I HN 0.425 nan 8.210 nan 0.000 0.457 241 N N 3.393 122.156 118.700 0.104 0.000 2.741 241 N HA -0.187 4.552 4.740 -0.000 0.000 0.250 241 N C 0.664 176.233 175.510 0.099 0.000 1.115 241 N CA 0.880 53.995 53.050 0.107 0.000 0.724 241 N CB -0.666 37.855 38.487 0.058 0.000 1.090 241 N HN 0.732 nan 8.380 nan 0.000 0.558 242 E N 1.106 121.300 120.200 -0.009 0.000 3.381 242 E HA -0.017 4.332 4.350 -0.000 0.000 0.509 242 E C 1.319 177.980 176.600 0.101 0.000 0.319 242 E CA 0.320 56.707 56.400 -0.023 0.000 3.013 242 E CB -0.008 29.395 29.700 -0.496 0.000 2.197 242 E HN 0.387 nan 8.360 nan 0.000 0.410 243 E N -0.047 120.189 120.200 0.059 0.000 2.160 243 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 243 E C -0.151 176.481 176.600 0.054 0.000 0.991 243 E CA 1.143 57.581 56.400 0.064 0.000 0.810 243 E CB 0.228 29.956 29.700 0.048 0.000 0.742 243 E HN 0.171 nan 8.360 nan 0.000 0.466 244 D N -2.443 117.988 120.400 0.050 0.000 2.531 244 D HA 0.117 4.756 4.640 -0.000 0.000 0.244 244 D C 0.488 176.858 176.300 0.116 0.000 1.090 244 D CA -0.601 53.413 54.000 0.024 0.000 0.989 244 D CB 1.054 41.844 40.800 -0.017 0.000 1.433 244 D HN 0.057 nan 8.370 nan 0.000 0.492 245 H N 0.347 119.428 119.070 0.018 0.000 2.289 245 H HA -0.017 4.539 4.556 -0.000 0.000 0.294 245 H C 0.442 175.765 175.328 -0.009 0.000 1.095 245 H CA 1.291 57.340 56.048 0.001 0.000 1.256 245 H CB 0.040 29.794 29.762 -0.012 0.000 1.359 245 H HN 0.286 nan 8.280 nan 0.000 0.487 246 I N 0.331 120.966 120.570 0.109 0.000 2.478 246 I HA 0.301 4.471 4.170 -0.000 0.000 0.287 246 I C 0.018 176.134 176.117 -0.001 0.000 1.042 246 I CA -0.578 60.738 61.300 0.027 0.000 1.067 246 I CB 2.623 40.603 38.000 -0.033 0.000 1.233 246 I HN -0.075 nan 8.210 nan 0.000 0.431 247 R N 5.743 126.249 120.500 0.009 0.000 2.437 247 R HA 0.793 5.133 4.340 -0.000 0.000 0.310 247 R C -1.749 174.475 176.300 -0.126 0.000 0.955 247 R CA -0.569 55.507 56.100 -0.040 0.000 0.851 247 R CB 2.270 32.571 30.300 0.001 0.000 1.161 247 R HN 0.523 nan 8.270 nan 0.000 0.446 248 V N 6.152 125.977 119.914 -0.148 0.000 2.638 248 V HA 0.629 4.749 4.120 -0.000 0.000 0.306 248 V C -1.241 174.790 176.094 -0.106 0.000 1.052 248 V CA -0.573 61.586 62.300 -0.236 0.000 0.885 248 V CB 1.760 33.391 31.823 -0.321 0.000 0.999 248 V HN 0.779 nan 8.190 nan 0.000 0.424 249 I N 4.842 125.293 120.570 -0.199 0.000 2.582 249 I HA 0.549 4.719 4.170 -0.000 0.000 0.292 249 I C -0.271 175.908 176.117 0.103 0.000 1.066 249 I CA -0.557 60.724 61.300 -0.032 0.000 1.053 249 I CB 2.247 40.136 38.000 -0.185 0.000 1.241 249 I HN 0.634 nan 8.210 nan 0.000 0.421 250 S N 7.671 123.566 115.700 0.326 0.000 2.454 250 S HA 0.872 5.342 4.470 -0.000 0.000 0.306 250 S C -0.557 174.154 174.600 0.185 0.000 1.100 250 S CA -0.640 57.798 58.200 0.398 0.000 1.087 250 S CB 0.804 64.329 63.200 0.541 0.000 1.019 250 S HN 0.592 nan 8.310 nan 0.000 0.480 251 M N 3.475 123.164 119.600 0.149 0.000 2.520 251 M HA 0.580 5.060 4.480 -0.000 0.000 0.280 251 M C -1.737 174.616 176.300 0.089 0.000 1.232 251 M CA -0.675 54.676 55.300 0.085 0.000 0.892 251 M CB 0.946 33.578 32.600 0.053 0.000 1.728 251 M HN 0.759 nan 8.290 nan 0.000 0.475 252 Q N 0.350 120.188 119.800 0.063 0.000 2.702 252 Q HA 0.610 4.950 4.340 -0.000 0.000 0.289 252 Q C -1.762 174.266 176.000 0.047 0.000 0.923 252 Q CA -1.145 54.695 55.803 0.062 0.000 0.787 252 Q CB 2.032 30.810 28.738 0.067 0.000 1.476 252 Q HN 0.764 nan 8.270 nan 0.000 0.402 253 K N 0.447 120.875 120.400 0.046 0.000 2.202 253 K HA 0.609 4.929 4.320 -0.000 0.000 0.264 253 K C 0.362 176.996 176.600 0.057 0.000 1.010 253 K CA 0.630 56.944 56.287 0.045 0.000 0.940 253 K CB 0.915 33.437 32.500 0.037 0.000 0.983 253 K HN 0.941 nan 8.250 nan 0.000 0.475 254 G N 0.544 109.384 108.800 0.068 0.000 2.660 254 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.247 254 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.247 254 G C 0.375 175.349 174.900 0.122 0.000 1.328 254 G CA -0.450 44.703 45.100 0.087 0.000 0.884 254 G HN 0.711 nan 8.290 nan 0.000 0.531 255 G N -1.002 107.893 108.800 0.158 0.000 3.284 255 G HA2 0.382 4.341 3.960 -0.000 0.000 0.236 255 G HA3 0.382 4.341 3.960 -0.000 0.000 0.236 255 G C 0.415 175.441 174.900 0.211 0.000 1.158 255 G CA 1.064 46.323 45.100 0.265 0.000 0.774 255 G HN 0.675 nan 8.290 nan 0.000 0.545 256 D N 1.261 121.729 120.400 0.113 0.000 2.934 256 D HA 0.103 4.743 4.640 -0.000 0.000 0.237 256 D C 1.841 178.176 176.300 0.059 0.000 1.158 256 D CA -0.327 53.702 54.000 0.049 0.000 0.971 256 D CB -0.196 40.628 40.800 0.040 0.000 1.123 256 D HN 0.098 nan 8.370 nan 0.000 0.467 257 L N 0.794 122.065 121.223 0.079 0.000 2.081 257 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 257 L C 2.247 179.166 176.870 0.081 0.000 1.080 257 L CA 1.323 56.224 54.840 0.100 0.000 0.754 257 L CB -0.046 42.113 42.059 0.167 0.000 0.893 257 L HN 0.248 nan 8.230 nan 0.000 0.433 258 K N -0.353 120.064 120.400 0.028 0.000 2.063 258 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 258 K C 1.982 178.637 176.600 0.091 0.000 1.048 258 K CA 1.522 57.854 56.287 0.075 0.000 0.928 258 K CB -0.082 32.425 32.500 0.011 0.000 0.713 258 K HN 0.375 nan 8.250 nan 0.000 0.442 259 A N 0.341 123.190 122.820 0.047 0.000 1.969 259 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 259 A C 2.160 179.762 177.584 0.030 0.000 1.169 259 A CA 1.339 53.388 52.037 0.020 0.000 0.635 259 A CB -0.377 18.633 19.000 0.018 0.000 0.810 259 A HN 0.174 nan 8.150 nan 0.000 0.445 260 V N -1.365 118.598 119.914 0.081 0.000 2.427 260 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 260 V C 2.232 178.445 176.094 0.199 0.000 1.051 260 V CA 1.962 64.334 62.300 0.121 0.000 1.048 260 V CB -0.832 31.060 31.823 0.114 0.000 0.666 260 V HN 0.626 nan 8.190 nan 0.000 0.456 261 F N 0.773 120.736 119.950 0.023 0.000 2.187 261 F HA -0.053 4.474 4.527 -0.000 0.000 0.295 261 F C 2.685 178.507 175.800 0.037 0.000 1.091 261 F CA 1.263 59.300 58.000 0.061 0.000 1.308 261 F CB -0.695 38.337 39.000 0.053 0.000 1.030 261 F HN 0.103 nan 8.300 nan 0.000 0.487 262 S N 0.405 115.990 115.700 -0.192 0.000 2.389 262 S HA -0.351 4.118 4.470 -0.000 0.000 0.229 262 S C 2.415 176.678 174.600 -0.560 0.000 1.048 262 S CA 2.126 59.916 58.200 -0.683 0.000 1.117 262 S CB -0.570 62.368 63.200 -0.436 0.000 1.020 262 S HN 0.487 nan 8.310 nan 0.000 0.430 263 R N -0.857 119.453 120.500 -0.317 0.000 2.094 263 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 263 R C 2.235 178.249 176.300 -0.477 0.000 1.137 263 R CA 2.130 58.001 56.100 -0.382 0.000 0.943 263 R CB -0.728 29.418 30.300 -0.257 0.000 0.850 263 R HN 0.569 nan 8.270 nan 0.000 0.433 264 F N 0.699 120.478 119.950 -0.285 0.000 2.046 264 F HA -0.229 4.298 4.527 -0.000 0.000 0.297 264 F C 2.153 177.882 175.800 -0.119 0.000 1.123 264 F CA 1.884 59.871 58.000 -0.022 0.000 1.199 264 F CB -0.664 38.447 39.000 0.184 0.000 0.972 264 F HN 0.141 nan 8.300 nan 0.000 0.474 265 A N 0.783 123.535 122.820 -0.114 0.000 1.873 265 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 265 A C 2.332 179.766 177.584 -0.251 0.000 1.193 265 A CA 2.078 53.962 52.037 -0.254 0.000 0.629 265 A CB -0.924 17.789 19.000 -0.477 0.000 0.826 265 A HN 0.508 nan 8.150 nan 0.000 0.447 266 R N -1.136 119.180 120.500 -0.305 0.000 2.083 266 R HA -0.128 4.212 4.340 -0.000 0.000 0.237 266 R C 2.445 178.609 176.300 -0.228 0.000 1.137 266 R CA 1.273 57.226 56.100 -0.245 0.000 0.951 266 R CB -0.723 29.402 30.300 -0.293 0.000 0.851 266 R HN 0.559 nan 8.270 nan 0.000 0.434 267 G N 1.066 109.674 108.800 -0.320 0.000 2.433 267 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 267 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 267 G C 1.468 176.304 174.900 -0.106 0.000 1.186 267 G CA 0.310 45.306 45.100 -0.172 0.000 0.779 267 G HN 0.121 nan 8.290 nan 0.000 0.543 268 L N -0.197 120.915 121.223 -0.186 0.000 1.989 268 L HA -0.055 4.285 4.340 -0.000 0.000 0.211 268 L C 3.002 179.776 176.870 -0.159 0.000 1.071 268 L CA 0.930 55.631 54.840 -0.231 0.000 0.749 268 L CB -0.315 41.515 42.059 -0.383 0.000 0.890 268 L HN 0.220 nan 8.230 nan 0.000 0.431 269 L N -0.648 120.495 121.223 -0.134 0.000 2.046 269 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 269 L C 2.560 179.384 176.870 -0.076 0.000 1.077 269 L CA 1.212 56.003 54.840 -0.081 0.000 0.747 269 L CB -0.348 41.675 42.059 -0.059 0.000 0.896 269 L HN 0.275 nan 8.230 nan 0.000 0.432 270 E N -0.043 120.104 120.200 -0.089 0.000 2.046 270 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 270 E C 2.131 178.678 176.600 -0.089 0.000 0.982 270 E CA 1.198 57.551 56.400 -0.078 0.000 0.800 270 E CB -0.232 29.420 29.700 -0.079 0.000 0.756 270 E HN 0.122 nan 8.360 nan 0.000 0.449 271 V N 1.304 121.149 119.914 -0.115 0.000 2.250 271 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 271 V C 2.484 178.513 176.094 -0.108 0.000 1.060 271 V CA 2.459 64.674 62.300 -0.141 0.000 1.030 271 V CB -0.621 31.093 31.823 -0.182 0.000 0.643 271 V HN 0.463 nan 8.190 nan 0.000 0.445 272 E N -0.316 119.829 120.200 -0.091 0.000 2.118 272 E HA -0.293 4.057 4.350 -0.000 0.000 0.195 272 E C 2.458 179.036 176.600 -0.036 0.000 0.992 272 E CA 1.652 58.019 56.400 -0.056 0.000 0.804 272 E CB -0.116 29.560 29.700 -0.040 0.000 0.741 272 E HN 0.481 nan 8.360 nan 0.000 0.458 273 R N 0.128 120.602 120.500 -0.042 0.000 2.062 273 R HA -0.112 4.228 4.340 -0.000 0.000 0.231 273 R C 2.575 178.856 176.300 -0.031 0.000 1.136 273 R CA 1.297 57.378 56.100 -0.033 0.000 0.948 273 R CB -0.230 30.049 30.300 -0.035 0.000 0.845 273 R HN 0.212 nan 8.270 nan 0.000 0.430 274 L N 0.238 121.435 121.223 -0.043 0.000 2.083 274 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 274 L C 2.657 179.512 176.870 -0.026 0.000 1.083 274 L CA 1.267 56.083 54.840 -0.041 0.000 0.752 274 L CB -0.352 41.670 42.059 -0.062 0.000 0.899 274 L HN 0.287 nan 8.230 nan 0.000 0.433 275 M N -0.565 119.019 119.600 -0.028 0.000 2.080 275 M HA -0.233 4.247 4.480 -0.000 0.000 0.260 275 M C 2.365 178.695 176.300 0.051 0.000 1.068 275 M CA 1.794 57.102 55.300 0.014 0.000 1.109 275 M CB -0.323 32.277 32.600 -0.000 0.000 1.342 275 M HN 0.126 nan 8.290 nan 0.000 0.405 276 K N 0.020 120.429 120.400 0.015 0.000 2.097 276 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 276 K C 1.773 178.366 176.600 -0.012 0.000 1.050 276 K CA 1.165 57.453 56.287 0.001 0.000 0.938 276 K CB -0.206 32.289 32.500 -0.008 0.000 0.718 276 K HN 0.458 nan 8.250 nan 0.000 0.442 277 E N 0.027 120.220 120.200 -0.010 0.000 2.130 277 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 277 E C 1.571 178.164 176.600 -0.013 0.000 0.998 277 E CA 1.115 57.507 56.400 -0.014 0.000 0.806 277 E CB -0.051 29.641 29.700 -0.014 0.000 0.738 277 E HN 0.276 nan 8.360 nan 0.000 0.459 278 C N -0.002 119.305 119.300 0.011 0.000 2.673 278 C HA 0.275 4.735 4.460 -0.000 0.000 0.274 278 C C 1.379 176.336 174.990 -0.055 0.000 1.276 278 C CA 0.348 59.385 59.018 0.033 0.000 1.701 278 C CB -0.720 27.087 27.740 0.112 0.000 1.836 278 C HN 0.672 nan 8.230 nan 0.000 0.596 279 G N 0.594 109.321 108.800 -0.121 0.000 2.132 279 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.228 279 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.228 279 G C -0.383 174.238 174.900 -0.465 0.000 1.000 279 G CA -0.131 44.803 45.100 -0.278 0.000 0.693 279 G HN 0.686 nan 8.290 nan 0.000 0.515 280 H N -0.909 118.147 119.070 -0.024 0.000 2.768 280 H HA 0.687 5.243 4.556 -0.000 0.000 0.371 280 H C 0.538 175.855 175.328 -0.017 0.000 1.151 280 H CA 0.132 56.167 56.048 -0.022 0.000 1.165 280 H CB 2.124 31.866 29.762 -0.035 0.000 1.722 280 H HN 0.582 nan 8.280 nan 0.000 0.543 281 G N 0.850 109.723 108.800 0.122 0.000 2.694 281 G HA2 0.524 4.483 3.960 -0.000 0.000 0.290 281 G HA3 0.524 4.483 3.960 -0.000 0.000 0.290 281 G C -1.399 173.556 174.900 0.092 0.000 1.386 281 G CA -0.985 44.162 45.100 0.078 0.000 0.872 281 G HN 0.464 nan 8.290 nan 0.000 0.475 282 L N 0.590 121.878 121.223 0.110 0.000 2.375 282 L HA 0.449 4.789 4.340 -0.000 0.000 0.271 282 L C 0.745 177.733 176.870 0.197 0.000 1.107 282 L CA -0.595 54.339 54.840 0.155 0.000 0.806 282 L CB 1.644 43.825 42.059 0.204 0.000 1.146 282 L HN 0.444 nan 8.230 nan 0.000 0.447 283 M N 4.237 123.944 119.600 0.178 0.000 2.292 283 M HA 0.093 4.573 4.480 -0.000 0.000 0.342 283 M C -0.831 175.574 176.300 0.175 0.000 1.538 283 M CA 0.393 55.762 55.300 0.116 0.000 1.163 283 M CB -0.174 32.450 32.600 0.040 0.000 1.823 283 M HN 0.478 nan 8.290 nan 0.000 0.462 284 H N 3.969 123.010 119.070 -0.047 0.000 2.782 284 H HA 0.345 4.901 4.556 -0.000 0.000 0.347 284 H C -1.869 173.351 175.328 -0.181 0.000 1.038 284 H CA -0.655 55.278 56.048 -0.192 0.000 1.255 284 H CB 1.417 31.000 29.762 -0.299 0.000 1.623 284 H HN 0.761 nan 8.280 nan 0.000 0.525 285 N N 2.850 121.258 118.700 -0.487 0.000 2.430 285 N HA 0.081 4.821 4.740 -0.000 0.000 0.292 285 N C 0.621 175.969 175.510 -0.269 0.000 1.051 285 N CA -0.333 52.543 53.050 -0.290 0.000 0.917 285 N CB 1.217 39.511 38.487 -0.323 0.000 1.164 285 N HN 0.483 nan 8.380 nan 0.000 0.484 286 D N 1.278 121.650 120.400 -0.046 0.000 2.123 286 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 286 D C 1.404 177.713 176.300 0.016 0.000 0.992 286 D CA 1.270 55.290 54.000 0.034 0.000 0.833 286 D CB 0.129 40.962 40.800 0.055 0.000 0.954 286 D HN 0.567 nan 8.370 nan 0.000 0.455 287 R N -0.194 120.305 120.500 -0.003 0.000 2.100 287 R HA 0.123 4.463 4.340 -0.000 0.000 0.220 287 R C 1.958 178.266 176.300 0.012 0.000 1.091 287 R CA 0.368 56.502 56.100 0.057 0.000 0.986 287 R CB 0.156 30.516 30.300 0.100 0.000 0.888 287 R HN 0.162 nan 8.270 nan 0.000 0.444 288 L N -0.318 120.778 121.223 -0.212 0.000 2.664 288 L HA 0.294 4.634 4.340 -0.000 0.000 0.233 288 L C 1.068 177.614 176.870 -0.539 0.000 1.113 288 L CA 0.244 54.851 54.840 -0.389 0.000 0.896 288 L CB 0.522 42.270 42.059 -0.518 0.000 1.163 288 L HN 0.478 nan 8.230 nan 0.000 0.497 289 G N -0.072 108.373 108.800 -0.593 0.000 2.512 289 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.254 289 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.254 289 G C -0.486 173.862 174.900 -0.920 0.000 1.199 289 G CA -0.289 44.271 45.100 -0.900 0.000 0.941 289 G HN 0.040 nan 8.290 nan 0.000 0.569 290 Y N 0.567 120.636 120.300 -0.386 0.000 2.425 290 Y HA 0.492 5.042 4.550 -0.000 0.000 0.331 290 Y C 1.211 176.995 175.900 -0.193 0.000 1.157 290 Y CA -0.216 57.770 58.100 -0.190 0.000 1.372 290 Y CB 0.606 39.044 38.460 -0.036 0.000 1.253 290 Y HN 0.371 nan 8.280 nan 0.000 0.536 291 I N 3.165 123.750 120.570 0.024 0.000 2.412 291 I HA 0.361 4.531 4.170 -0.000 0.000 0.296 291 I C -0.099 176.028 176.117 0.017 0.000 0.987 291 I CA -0.700 60.588 61.300 -0.020 0.000 1.180 291 I CB 0.869 38.794 38.000 -0.125 0.000 1.340 291 I HN 0.651 nan 8.210 nan 0.000 0.455 292 C N 2.041 121.375 119.300 0.056 0.000 3.307 292 C HA 0.411 4.871 4.460 -0.000 0.000 0.350 292 C C 1.956 176.983 174.990 0.061 0.000 1.549 292 C CA -0.201 58.822 59.018 0.008 0.000 1.396 292 C CB 1.674 29.405 27.740 -0.014 0.000 1.970 292 C HN 0.898 nan 8.230 nan 0.000 0.441 293 T N -1.686 112.865 114.554 -0.006 0.000 2.904 293 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 293 T C 0.579 175.219 174.700 -0.100 0.000 1.059 293 T CA 1.116 63.215 62.100 -0.001 0.000 1.137 293 T CB -0.159 68.712 68.868 0.005 0.000 0.879 293 T HN 0.738 nan 8.240 nan 0.000 0.467 294 C N 2.741 121.976 119.300 -0.109 0.000 2.307 294 C HA 0.578 5.038 4.460 -0.000 0.000 0.340 294 C C -1.170 173.682 174.990 -0.230 0.000 1.275 294 C CA -2.039 56.878 59.018 -0.167 0.000 1.811 294 C CB 1.142 28.826 27.740 -0.093 0.000 2.372 294 C HN 0.350 nan 8.230 nan 0.000 0.531 295 P HA -0.162 nan 4.420 nan 0.000 0.218 295 P C 1.618 178.912 177.300 -0.009 0.000 1.146 295 P CA 2.518 65.465 63.100 -0.254 0.000 0.820 295 P CB -0.071 31.507 31.700 -0.204 0.000 0.778 296 T N -4.661 109.853 114.554 -0.067 0.000 2.881 296 T HA -0.097 4.253 4.350 -0.000 0.000 0.270 296 T C 0.973 175.685 174.700 0.020 0.000 1.068 296 T CA 0.957 63.020 62.100 -0.060 0.000 1.131 296 T CB -0.821 67.968 68.868 -0.132 0.000 0.871 296 T HN -0.005 nan 8.240 nan 0.000 0.479 297 N N 1.604 120.291 118.700 -0.021 0.000 2.918 297 N HA 0.564 5.304 4.740 -0.000 0.000 0.247 297 N C -0.883 174.603 175.510 -0.039 0.000 1.117 297 N CA 0.025 53.057 53.050 -0.029 0.000 1.005 297 N CB 0.760 39.228 38.487 -0.032 0.000 1.297 297 N HN 0.537 nan 8.380 nan 0.000 0.513 298 M N -1.107 118.434 119.600 -0.098 0.000 2.755 298 M HA 0.481 4.961 4.480 -0.000 0.000 0.273 298 M C 0.753 176.832 176.300 -0.368 0.000 1.278 298 M CA -0.252 54.915 55.300 -0.222 0.000 0.819 298 M CB 1.801 34.223 32.600 -0.298 0.000 1.694 298 M HN 0.491 nan 8.290 nan 0.000 0.460 299 G N 0.499 108.942 108.800 -0.596 0.000 2.620 299 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.315 299 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.315 299 G C 0.627 175.293 174.900 -0.392 0.000 1.179 299 G CA 1.528 46.004 45.100 -1.041 0.000 0.971 299 G HN 1.115 nan 8.290 nan 0.000 0.544 300 T N -1.490 113.010 114.554 -0.091 0.000 3.014 300 T HA 0.290 4.640 4.350 -0.000 0.000 0.263 300 T C 1.670 176.445 174.700 0.125 0.000 1.078 300 T CA 1.857 64.073 62.100 0.193 0.000 1.135 300 T CB -0.118 68.864 68.868 0.190 0.000 0.895 300 T HN 2.128 nan 8.240 nan 0.000 0.480 301 V N 0.060 119.982 119.914 0.012 0.000 4.654 301 V HA -0.150 3.970 4.120 -0.000 0.000 0.261 301 V C 0.263 176.373 176.094 0.025 0.000 0.471 301 V CA 0.550 62.851 62.300 0.002 0.000 0.802 301 V CB -2.787 29.043 31.823 0.011 0.000 0.768 301 V HN 0.545 nan 8.190 nan 0.000 1.286 302 V N 1.771 121.697 119.914 0.020 0.000 2.394 302 V HA 0.533 4.652 4.120 -0.000 0.000 0.282 302 V C 0.625 176.685 176.094 -0.057 0.000 1.031 302 V CA -0.545 61.750 62.300 -0.008 0.000 0.881 302 V CB 1.972 33.792 31.823 -0.005 0.000 0.982 302 V HN 0.422 nan 8.190 nan 0.000 0.451 303 R N 3.730 124.181 120.500 -0.082 0.000 2.287 303 R HA 0.571 4.911 4.340 -0.000 0.000 0.316 303 R C -0.259 175.968 176.300 -0.122 0.000 1.050 303 R CA -0.249 55.802 56.100 -0.083 0.000 0.983 303 R CB 1.489 31.752 30.300 -0.062 0.000 1.140 303 R HN 0.777 nan 8.270 nan 0.000 0.528 304 A N 2.095 124.839 122.820 -0.127 0.000 2.320 304 A HA 0.508 4.828 4.320 -0.000 0.000 0.287 304 A C 0.021 177.563 177.584 -0.070 0.000 1.181 304 A CA -0.267 51.691 52.037 -0.132 0.000 0.831 304 A CB 0.516 19.422 19.000 -0.156 0.000 1.102 304 A HN 0.701 nan 8.150 nan 0.000 0.513 305 S N 0.779 116.442 115.700 -0.062 0.000 2.588 305 S HA 0.791 5.261 4.470 -0.000 0.000 0.275 305 S C -0.556 174.014 174.600 -0.050 0.000 1.130 305 S CA -0.111 58.068 58.200 -0.036 0.000 0.855 305 S CB 1.236 64.423 63.200 -0.022 0.000 1.116 305 S HN 1.985 nan 8.310 nan 0.000 0.472 306 V N -1.105 118.792 119.914 -0.028 0.000 2.914 306 V HA 0.640 4.760 4.120 -0.000 0.000 0.314 306 V C -1.015 175.115 176.094 0.061 0.000 1.084 306 V CA -0.961 61.315 62.300 -0.040 0.000 0.963 306 V CB 1.183 32.974 31.823 -0.054 0.000 1.025 306 V HN 1.070 nan 8.190 nan 0.000 0.432 307 H N 3.775 122.866 119.070 0.036 0.000 2.846 307 H HA 0.520 5.075 4.556 -0.000 0.000 0.278 307 H C -0.494 174.861 175.328 0.045 0.000 1.117 307 H CA -0.387 55.687 56.048 0.043 0.000 1.406 307 H CB 1.202 30.981 29.762 0.028 0.000 1.445 307 H HN 0.530 nan 8.280 nan 0.000 0.469 308 L N 4.099 125.441 121.223 0.198 0.000 2.305 308 L HA 0.340 4.680 4.340 -0.000 0.000 0.284 308 L C -0.157 176.824 176.870 0.184 0.000 1.013 308 L CA -0.839 54.095 54.840 0.156 0.000 0.819 308 L CB 1.055 43.187 42.059 0.122 0.000 1.227 308 L HN 0.538 nan 8.230 nan 0.000 0.417 309 R N 5.537 126.130 120.500 0.155 0.000 2.248 309 R HA 0.329 4.669 4.340 -0.000 0.000 0.328 309 R C -0.804 175.609 176.300 0.187 0.000 1.067 309 R CA -0.164 56.005 56.100 0.115 0.000 0.924 309 R CB 0.399 30.721 30.300 0.037 0.000 1.013 309 R HN 0.641 nan 8.270 nan 0.000 0.454 310 L N 4.367 125.686 121.223 0.160 0.000 2.783 310 L HA 0.228 4.568 4.340 -0.000 0.000 0.265 310 L C 1.444 178.309 176.870 -0.007 0.000 1.398 310 L CA -0.279 54.628 54.840 0.112 0.000 0.802 310 L CB 1.079 43.158 42.059 0.034 0.000 1.126 310 L HN 0.711 nan 8.230 nan 0.000 0.529 311 A N 0.726 123.476 122.820 -0.117 0.000 1.894 311 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 311 A C 1.737 179.052 177.584 -0.448 0.000 1.237 311 A CA 2.267 54.061 52.037 -0.405 0.000 0.660 311 A CB -0.580 17.932 19.000 -0.813 0.000 0.835 311 A HN 0.500 nan 8.150 nan 0.000 0.461 312 F N -1.243 118.704 119.950 -0.005 0.000 2.179 312 F HA 0.133 4.660 4.527 -0.000 0.000 0.292 312 F C 2.174 177.937 175.800 -0.062 0.000 1.089 312 F CA 0.770 58.761 58.000 -0.015 0.000 1.295 312 F CB -0.493 38.511 39.000 0.007 0.000 1.041 312 F HN 0.139 nan 8.300 nan 0.000 0.487 313 L N 0.346 121.596 121.223 0.045 0.000 2.017 313 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 313 L C 2.401 179.008 176.870 -0.438 0.000 1.073 313 L CA 1.538 56.278 54.840 -0.167 0.000 0.745 313 L CB -0.438 41.470 42.059 -0.252 0.000 0.894 313 L HN 0.239 nan 8.230 nan 0.000 0.432 314 E N 0.150 120.025 120.200 -0.541 0.000 2.257 314 E HA -0.360 3.989 4.350 -0.000 0.000 0.229 314 E C 1.650 178.146 176.600 -0.173 0.000 1.089 314 E CA 2.304 58.446 56.400 -0.431 0.000 0.947 314 E CB -0.033 29.607 29.700 -0.100 0.000 0.808 314 E HN 0.429 nan 8.360 nan 0.000 0.471 315 K N -0.677 119.688 120.400 -0.059 0.000 2.458 315 K HA 0.034 4.353 4.320 -0.000 0.000 0.194 315 K C 0.141 176.783 176.600 0.070 0.000 1.024 315 K CA -0.047 56.253 56.287 0.021 0.000 1.108 315 K CB 0.133 32.650 32.500 0.029 0.000 0.846 315 K HN 0.192 nan 8.250 nan 0.000 0.518 316 H N 0.547 119.615 119.070 -0.003 0.000 2.487 316 H HA 0.106 4.662 4.556 -0.000 0.000 0.333 316 H C -1.670 173.714 175.328 0.093 0.000 1.114 316 H CA -2.006 54.069 56.048 0.044 0.000 1.310 316 H CB 1.303 31.091 29.762 0.044 0.000 1.462 316 H HN -0.167 nan 8.280 nan 0.000 0.516 317 P HA -0.069 nan 4.420 nan 0.000 0.218 317 P C 0.354 177.687 177.300 0.056 0.000 1.152 317 P CA 0.949 63.994 63.100 -0.092 0.000 0.826 317 P CB 0.374 31.969 31.700 -0.174 0.000 0.790 318 R N -1.052 119.540 120.500 0.153 0.000 2.391 318 R HA 0.088 4.428 4.340 -0.000 0.000 0.225 318 R C 1.626 178.107 176.300 0.300 0.000 1.079 318 R CA -0.114 56.138 56.100 0.253 0.000 1.147 318 R CB -0.894 29.586 30.300 0.299 0.000 1.103 318 R HN 0.180 nan 8.270 nan 0.000 0.499 319 F N 1.666 121.706 119.950 0.150 0.000 2.163 319 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 319 F C 1.496 177.285 175.800 -0.018 0.000 1.094 319 F CA 1.256 59.285 58.000 0.048 0.000 1.290 319 F CB 0.099 39.116 39.000 0.029 0.000 1.017 319 F HN -0.052 nan 8.300 nan 0.000 0.483 320 D N 0.189 120.414 120.400 -0.292 0.000 2.183 320 D HA -0.156 4.484 4.640 -0.000 0.000 0.203 320 D C 2.135 178.302 176.300 -0.222 0.000 0.969 320 D CA 0.955 54.727 54.000 -0.379 0.000 0.842 320 D CB -0.250 40.421 40.800 -0.215 0.000 0.957 320 D HN 0.513 nan 8.370 nan 0.000 0.484 321 E N 0.565 120.699 120.200 -0.110 0.000 2.058 321 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 321 E C 2.128 178.676 176.600 -0.088 0.000 0.997 321 E CA 0.793 57.147 56.400 -0.076 0.000 0.801 321 E CB -0.026 29.662 29.700 -0.020 0.000 0.746 321 E HN 0.157 nan 8.360 nan 0.000 0.450 322 M N 0.251 119.811 119.600 -0.068 0.000 2.059 322 M HA -0.208 4.272 4.480 -0.000 0.000 0.259 322 M C 2.135 178.374 176.300 -0.102 0.000 1.072 322 M CA 1.236 56.500 55.300 -0.060 0.000 1.117 322 M CB -0.226 32.368 32.600 -0.010 0.000 1.320 322 M HN 0.176 nan 8.290 nan 0.000 0.408 323 L N 0.844 121.963 121.223 -0.172 0.000 2.017 323 L HA -0.246 4.094 4.340 -0.000 0.000 0.234 323 L C 2.530 179.303 176.870 -0.160 0.000 1.097 323 L CA 2.652 57.371 54.840 -0.201 0.000 0.816 323 L CB -1.720 40.122 42.059 -0.362 0.000 0.914 323 L HN 0.574 nan 8.230 nan 0.000 0.444 324 G N -1.762 106.927 108.800 -0.185 0.000 2.450 324 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 324 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 324 G C 1.676 176.464 174.900 -0.188 0.000 1.130 324 G CA 0.929 45.904 45.100 -0.208 0.000 0.760 324 G HN 0.434 nan 8.290 nan 0.000 0.557 325 K N -0.207 120.112 120.400 -0.136 0.000 2.155 325 K HA 0.175 4.494 4.320 -0.000 0.000 0.203 325 K C 2.267 178.817 176.600 -0.082 0.000 1.052 325 K CA 0.330 56.555 56.287 -0.105 0.000 0.948 325 K CB -0.161 32.294 32.500 -0.075 0.000 0.728 325 K HN 0.287 nan 8.250 nan 0.000 0.448 326 L N 0.635 121.814 121.223 -0.074 0.000 2.551 326 L HA 0.016 4.356 4.340 -0.000 0.000 0.228 326 L C 0.069 176.919 176.870 -0.033 0.000 1.153 326 L CA 0.200 55.013 54.840 -0.045 0.000 0.851 326 L CB -0.225 41.812 42.059 -0.038 0.000 0.959 326 L HN 0.193 nan 8.230 nan 0.000 0.451 327 R N -0.302 120.160 120.500 -0.063 0.000 3.656 327 R HA -0.120 4.220 4.340 -0.000 0.000 0.297 327 R C -0.594 175.749 176.300 0.072 0.000 1.166 327 R CA 0.623 56.703 56.100 -0.033 0.000 0.799 327 R CB -2.646 27.662 30.300 0.013 0.000 1.285 327 R HN 0.322 nan 8.270 nan 0.000 0.477 328 L N -0.348 120.892 121.223 0.029 0.000 2.334 328 L HA 0.706 5.045 4.340 -0.000 0.000 0.276 328 L C 1.203 178.124 176.870 0.085 0.000 1.014 328 L CA -0.618 54.261 54.840 0.065 0.000 0.815 328 L CB 2.069 44.132 42.059 0.007 0.000 1.268 328 L HN 0.162 nan 8.230 nan 0.000 0.428 329 G N 1.551 110.435 108.800 0.139 0.000 2.410 329 G HA2 0.609 4.569 3.960 -0.000 0.000 0.330 329 G HA3 0.609 4.569 3.960 -0.000 0.000 0.330 329 G C -1.128 173.817 174.900 0.076 0.000 1.142 329 G CA -0.445 44.739 45.100 0.140 0.000 0.902 329 G HN 0.666 nan 8.290 nan 0.000 0.491 330 K N 0.181 120.616 120.400 0.058 0.000 2.375 330 K HA 0.836 5.156 4.320 -0.000 0.000 0.249 330 K C -0.339 176.345 176.600 0.141 0.000 0.942 330 K CA -0.986 55.355 56.287 0.090 0.000 0.806 330 K CB 2.329 34.833 32.500 0.007 0.000 1.227 330 K HN 0.649 nan 8.250 nan 0.000 0.430 331 R N 1.031 121.651 120.500 0.199 0.000 2.781 331 R HA 0.497 4.837 4.340 -0.000 0.000 0.268 331 R C -0.236 176.188 176.300 0.207 0.000 1.047 331 R CA -1.297 54.915 56.100 0.188 0.000 0.925 331 R CB 0.632 31.013 30.300 0.136 0.000 1.246 331 R HN 0.748 nan 8.270 nan 0.000 0.456 332 G N -0.498 108.371 108.800 0.114 0.000 2.651 332 G HA2 0.196 4.156 3.960 -0.000 0.000 0.260 332 G HA3 0.196 4.156 3.960 -0.000 0.000 0.260 332 G C 0.646 175.522 174.900 -0.040 0.000 1.216 332 G CA -0.113 44.984 45.100 -0.004 0.000 0.913 332 G HN 0.632 nan 8.290 nan 0.000 0.535 333 T N -3.112 111.333 114.554 -0.181 0.000 3.380 333 T HA 0.296 4.646 4.350 -0.000 0.000 0.250 333 T C 1.290 175.913 174.700 -0.127 0.000 1.082 333 T CA 0.481 62.370 62.100 -0.351 0.000 0.968 333 T CB 0.264 68.655 68.868 -0.795 0.000 1.027 333 T HN 0.686 nan 8.240 nan 0.000 0.575 334 G N -0.415 108.369 108.800 -0.027 0.000 3.596 334 G HA2 0.596 4.556 3.960 -0.000 0.000 0.274 334 G HA3 0.596 4.556 3.960 -0.000 0.000 0.274 334 G C 0.616 175.552 174.900 0.061 0.000 1.007 334 G CA -0.081 45.033 45.100 0.023 0.000 0.825 334 G HN 0.981 nan 8.290 nan 0.000 0.508 335 G N 0.163 109.010 108.800 0.078 0.000 2.566 335 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.599 335 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.599 335 G C 0.391 175.342 174.900 0.085 0.000 1.292 335 G CA 0.180 45.331 45.100 0.085 0.000 0.922 335 G HN 0.150 nan 8.290 nan 0.000 0.514 336 E N -0.247 120.002 120.200 0.082 0.000 2.240 336 E HA -0.206 4.144 4.350 -0.000 0.000 0.236 336 E C 2.076 178.755 176.600 0.132 0.000 1.085 336 E CA 2.646 59.100 56.400 0.090 0.000 0.979 336 E CB -0.183 29.563 29.700 0.077 0.000 0.845 336 E HN 0.951 nan 8.360 nan 0.000 0.483 337 S N -0.279 115.506 115.700 0.141 0.000 2.497 337 S HA 0.293 4.763 4.470 -0.000 0.000 0.193 337 S C -1.132 173.517 174.600 0.081 0.000 1.360 337 S CA -0.146 58.148 58.200 0.158 0.000 1.204 337 S CB -0.352 62.969 63.200 0.202 0.000 1.171 337 S HN 0.269 nan 8.310 nan 0.000 0.502 338 S N 2.232 117.975 115.700 0.072 0.000 2.521 338 S HA 0.732 5.202 4.470 -0.000 0.000 0.295 338 S C -0.628 173.996 174.600 0.040 0.000 1.098 338 S CA -0.876 57.345 58.200 0.036 0.000 0.999 338 S CB 1.542 64.753 63.200 0.019 0.000 1.034 338 S HN 0.397 nan 8.310 nan 0.000 0.483 339 L N 2.519 123.753 121.223 0.019 0.000 2.469 339 L HA 0.772 5.112 4.340 -0.000 0.000 0.253 339 L C 0.762 177.625 176.870 -0.012 0.000 1.143 339 L CA -0.176 54.684 54.840 0.033 0.000 0.804 339 L CB 0.413 42.485 42.059 0.022 0.000 1.214 339 L HN 1.043 nan 8.230 nan 0.000 0.476 340 A N 0.680 123.498 122.820 -0.003 0.000 2.587 340 A HA 0.417 4.737 4.320 -0.000 0.000 0.233 340 A C 0.021 177.504 177.584 -0.169 0.000 1.049 340 A CA 0.835 52.764 52.037 -0.180 0.000 0.754 340 A CB -0.726 18.235 19.000 -0.065 0.000 0.977 340 A HN 0.869 nan 8.150 nan 0.000 0.509 341 T N -0.738 113.665 114.554 -0.252 0.000 3.193 341 T HA 0.489 4.839 4.350 -0.000 0.000 0.332 341 T C -0.571 174.009 174.700 -0.201 0.000 1.208 341 T CA -0.079 61.916 62.100 -0.175 0.000 1.080 341 T CB 1.182 69.969 68.868 -0.135 0.000 1.180 341 T HN 0.840 nan 8.240 nan 0.000 0.469 342 D N 2.065 122.373 120.400 -0.152 0.000 2.751 342 D HA -0.186 4.454 4.640 -0.000 0.000 0.233 342 D C 0.372 176.567 176.300 -0.174 0.000 1.149 342 D CA 1.591 55.506 54.000 -0.142 0.000 0.682 342 D CB -1.612 39.115 40.800 -0.122 0.000 1.068 342 D HN 1.136 nan 8.370 nan 0.000 0.429 343 S N -1.741 113.835 115.700 -0.208 0.000 3.581 343 S HA -0.215 4.255 4.470 -0.000 0.000 0.354 343 S C 0.263 174.698 174.600 -0.275 0.000 1.059 343 S CA 1.383 59.464 58.200 -0.199 0.000 1.060 343 S CB -1.000 62.133 63.200 -0.112 0.000 0.908 343 S HN 0.468 nan 8.310 nan 0.000 0.475 344 T N 1.177 115.427 114.554 -0.505 0.000 2.824 344 T HA 0.653 5.003 4.350 -0.000 0.000 0.282 344 T C -0.670 173.676 174.700 -0.591 0.000 0.993 344 T CA -0.363 61.518 62.100 -0.366 0.000 0.967 344 T CB 1.004 69.747 68.868 -0.210 0.000 0.960 344 T HN 0.232 nan 8.240 nan 0.000 0.441 345 Y N 0.789 121.105 120.300 0.026 0.000 2.499 345 Y HA 0.381 4.931 4.550 -0.000 0.000 0.347 345 Y C 0.145 176.109 175.900 0.107 0.000 0.987 345 Y CA -1.193 56.948 58.100 0.067 0.000 1.044 345 Y CB 1.585 40.126 38.460 0.136 0.000 1.245 345 Y HN 0.564 nan 8.280 nan 0.000 0.461 346 D N 3.786 124.353 120.400 0.279 0.000 2.411 346 D HA 0.190 4.830 4.640 -0.000 0.000 0.225 346 D C -0.900 175.532 176.300 0.221 0.000 1.156 346 D CA -0.058 54.127 54.000 0.307 0.000 0.874 346 D CB 0.483 41.451 40.800 0.279 0.000 1.034 346 D HN 0.323 nan 8.370 nan 0.000 0.502 347 I N 3.000 123.678 120.570 0.181 0.000 2.353 347 I HA 0.220 4.390 4.170 -0.000 0.000 0.293 347 I C 0.629 176.784 176.117 0.063 0.000 0.992 347 I CA -0.515 60.850 61.300 0.108 0.000 1.268 347 I CB 1.003 39.051 38.000 0.080 0.000 1.387 347 I HN 0.357 nan 8.210 nan 0.000 0.478 348 S N 5.084 120.817 115.700 0.055 0.000 2.607 348 S HA 0.488 4.958 4.470 -0.000 0.000 0.273 348 S C -0.761 173.869 174.600 0.050 0.000 1.148 348 S CA -1.136 57.085 58.200 0.034 0.000 0.833 348 S CB 2.045 65.261 63.200 0.027 0.000 1.130 348 S HN 0.635 nan 8.310 nan 0.000 0.470 349 N N 0.302 119.023 118.700 0.035 0.000 2.492 349 N HA -0.015 4.725 4.740 -0.000 0.000 0.262 349 N C 0.093 175.675 175.510 0.120 0.000 1.202 349 N CA -0.432 52.662 53.050 0.074 0.000 0.926 349 N CB 0.603 39.113 38.487 0.037 0.000 1.078 349 N HN 0.943 nan 8.380 nan 0.000 0.454 350 W N 2.952 124.247 121.300 -0.009 0.000 2.443 350 W HA 0.245 4.905 4.660 -0.000 0.000 0.296 350 W C 0.664 177.199 176.519 0.027 0.000 1.202 350 W CA 1.055 58.401 57.345 0.001 0.000 1.312 350 W CB -0.020 29.432 29.460 -0.013 0.000 1.120 350 W HN 0.689 nan 8.180 nan 0.000 0.536 351 A N 0.863 123.897 122.820 0.357 0.000 2.351 351 A HA 0.374 4.693 4.320 -0.000 0.000 0.257 351 A C 0.771 178.376 177.584 0.036 0.000 1.087 351 A CA -0.068 52.112 52.037 0.237 0.000 0.798 351 A CB 0.844 20.043 19.000 0.333 0.000 1.033 351 A HN 0.374 nan 8.150 nan 0.000 0.488 352 R N -0.017 120.468 120.500 -0.024 0.000 2.383 352 R HA 0.397 4.737 4.340 -0.000 0.000 0.205 352 R C -0.220 175.981 176.300 -0.165 0.000 0.875 352 R CA 0.339 56.383 56.100 -0.094 0.000 1.039 352 R CB 0.141 30.366 30.300 -0.126 0.000 1.267 352 R HN 0.694 nan 8.270 nan 0.000 0.635 353 L N -1.515 119.557 121.223 -0.252 0.000 2.313 353 L HA 0.522 4.861 4.340 -0.000 0.000 0.268 353 L C 0.914 177.821 176.870 0.062 0.000 1.010 353 L CA 0.104 54.754 54.840 -0.317 0.000 0.814 353 L CB 1.989 43.432 42.059 -1.027 0.000 1.304 353 L HN 0.382 nan 8.230 nan 0.000 0.441 354 G N 0.497 109.498 108.800 0.334 0.000 2.217 354 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.246 354 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.246 354 G C 0.059 175.043 174.900 0.140 0.000 0.990 354 G CA 0.054 45.356 45.100 0.336 0.000 0.627 354 G HN 0.497 nan 8.290 nan 0.000 0.522 355 K N 0.027 120.491 120.400 0.106 0.000 2.512 355 K HA 0.634 4.954 4.320 -0.000 0.000 0.263 355 K C 0.241 176.862 176.600 0.036 0.000 0.966 355 K CA -0.001 56.313 56.287 0.045 0.000 0.851 355 K CB 2.074 34.620 32.500 0.078 0.000 1.395 355 K HN 0.369 nan 8.250 nan 0.000 0.440 356 S N 0.611 116.321 115.700 0.017 0.000 2.624 356 S HA 0.051 4.521 4.470 -0.000 0.000 0.263 356 S C 0.998 175.669 174.600 0.118 0.000 1.287 356 S CA -0.143 58.097 58.200 0.066 0.000 0.990 356 S CB 0.649 63.884 63.200 0.058 0.000 0.950 356 S HN 0.590 nan 8.310 nan 0.000 0.561 357 E N 2.555 122.868 120.200 0.189 0.000 2.033 357 E HA -0.265 4.085 4.350 -0.000 0.000 0.199 357 E C 2.171 178.813 176.600 0.071 0.000 1.011 357 E CA 1.993 58.515 56.400 0.203 0.000 0.815 357 E CB -0.715 29.212 29.700 0.379 0.000 0.755 357 E HN 0.914 nan 8.360 nan 0.000 0.451 358 R N 1.382 121.982 120.500 0.167 0.000 2.090 358 R HA -0.019 4.321 4.340 -0.000 0.000 0.228 358 R C 2.067 178.329 176.300 -0.063 0.000 1.110 358 R CA 1.292 57.386 56.100 -0.008 0.000 0.973 358 R CB -0.395 30.120 30.300 0.359 0.000 0.869 358 R HN 0.135 nan 8.270 nan 0.000 0.440 359 E N 1.065 121.275 120.200 0.017 0.000 2.097 359 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 359 E C 2.001 178.588 176.600 -0.022 0.000 1.000 359 E CA 1.662 58.065 56.400 0.005 0.000 0.804 359 E CB -0.166 29.550 29.700 0.027 0.000 0.740 359 E HN 0.421 nan 8.360 nan 0.000 0.454 360 L N 0.395 121.600 121.223 -0.029 0.000 2.240 360 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 360 L C 2.308 179.116 176.870 -0.104 0.000 1.106 360 L CA 0.276 55.095 54.840 -0.035 0.000 0.793 360 L CB -0.004 42.051 42.059 -0.006 0.000 0.927 360 L HN 0.019 nan 8.230 nan 0.000 0.446 361 V N -0.617 119.161 119.914 -0.226 0.000 2.667 361 V HA -0.236 3.884 4.120 -0.000 0.000 0.252 361 V C 2.298 178.289 176.094 -0.172 0.000 1.065 361 V CA 1.360 63.472 62.300 -0.314 0.000 1.083 361 V CB -0.262 31.115 31.823 -0.744 0.000 0.692 361 V HN 0.416 nan 8.190 nan 0.000 0.468 362 Q N 0.067 119.794 119.800 -0.123 0.000 2.137 362 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 362 Q C 2.068 178.063 176.000 -0.008 0.000 0.960 362 Q CA 1.448 57.222 55.803 -0.049 0.000 0.847 362 Q CB -0.263 28.457 28.738 -0.031 0.000 0.915 362 Q HN 0.425 nan 8.270 nan 0.000 0.448 363 V N 0.749 120.657 119.914 -0.010 0.000 2.252 363 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 363 V C 2.311 178.415 176.094 0.016 0.000 1.056 363 V CA 2.018 64.323 62.300 0.009 0.000 1.022 363 V CB -0.789 31.044 31.823 0.016 0.000 0.641 363 V HN 0.472 nan 8.190 nan 0.000 0.445 364 L N -0.245 120.983 121.223 0.008 0.000 2.013 364 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 364 L C 2.501 179.419 176.870 0.079 0.000 1.073 364 L CA 2.037 56.890 54.840 0.022 0.000 0.753 364 L CB -0.348 41.713 42.059 0.003 0.000 0.890 364 L HN 0.242 nan 8.230 nan 0.000 0.432 365 V N 0.124 120.115 119.914 0.128 0.000 2.255 365 V HA -0.333 3.787 4.120 -0.000 0.000 0.247 365 V C 2.224 178.427 176.094 0.181 0.000 1.051 365 V CA 2.217 64.669 62.300 0.253 0.000 1.018 365 V CB -0.606 31.294 31.823 0.129 0.000 0.641 365 V HN 0.481 nan 8.190 nan 0.000 0.445 366 D N 0.402 120.854 120.400 0.087 0.000 2.117 366 D HA -0.089 4.551 4.640 -0.000 0.000 0.198 366 D C 2.187 178.512 176.300 0.042 0.000 0.982 366 D CA 1.609 55.644 54.000 0.058 0.000 0.828 366 D CB -0.622 40.196 40.800 0.031 0.000 0.967 366 D HN 0.478 nan 8.370 nan 0.000 0.464 367 G N 0.734 109.551 108.800 0.028 0.000 2.402 367 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 367 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 367 G C 1.865 176.757 174.900 -0.013 0.000 1.162 367 G CA 0.620 45.723 45.100 0.005 0.000 0.777 367 G HN 0.222 nan 8.290 nan 0.000 0.539 368 V N 1.552 121.445 119.914 -0.035 0.000 2.343 368 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 368 V C 2.686 178.723 176.094 -0.094 0.000 1.051 368 V CA 1.860 64.073 62.300 -0.144 0.000 1.036 368 V CB -0.519 31.039 31.823 -0.442 0.000 0.654 368 V HN 0.286 nan 8.190 nan 0.000 0.451 369 N N 0.109 118.833 118.700 0.040 0.000 2.104 369 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 369 N C 1.785 177.288 175.510 -0.011 0.000 1.024 369 N CA 1.363 54.452 53.050 0.065 0.000 0.853 369 N CB -0.468 38.084 38.487 0.107 0.000 1.008 369 N HN 0.382 nan 8.380 nan 0.000 0.424 370 L N 0.053 121.269 121.223 -0.011 0.000 2.027 370 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 370 L C 1.770 178.615 176.870 -0.042 0.000 1.074 370 L CA 0.873 55.699 54.840 -0.025 0.000 0.745 370 L CB -0.238 41.813 42.059 -0.014 0.000 0.898 370 L HN 0.106 nan 8.230 nan 0.000 0.433 371 L N 0.014 121.216 121.223 -0.036 0.000 2.013 371 L HA -0.291 4.049 4.340 -0.000 0.000 0.212 371 L C 2.368 179.189 176.870 -0.082 0.000 1.073 371 L CA 1.950 56.774 54.840 -0.025 0.000 0.753 371 L CB -0.804 41.254 42.059 -0.002 0.000 0.890 371 L HN 0.209 nan 8.230 nan 0.000 0.432 372 I N -1.206 119.271 120.570 -0.154 0.000 2.252 372 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 372 I C 2.508 178.464 176.117 -0.268 0.000 1.102 372 I CA 1.125 62.233 61.300 -0.318 0.000 1.385 372 I CB -0.451 37.271 38.000 -0.464 0.000 1.064 372 I HN 0.214 nan 8.210 nan 0.000 0.414 373 A N -0.219 122.503 122.820 -0.165 0.000 1.972 373 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 373 A C 2.398 179.925 177.584 -0.094 0.000 1.169 373 A CA 1.698 53.666 52.037 -0.115 0.000 0.635 373 A CB -1.131 17.826 19.000 -0.072 0.000 0.810 373 A HN 0.549 nan 8.150 nan 0.000 0.446 374 C N -1.042 118.206 119.300 -0.087 0.000 2.457 374 C HA -0.045 4.415 4.460 -0.000 0.000 0.278 374 C C 2.386 177.332 174.990 -0.073 0.000 1.309 374 C CA 1.017 59.982 59.018 -0.087 0.000 1.735 374 C CB -1.225 26.461 27.740 -0.091 0.000 1.992 374 C HN 0.789 nan 8.230 nan 0.000 0.493 375 D N 0.590 120.963 120.400 -0.045 0.000 2.117 375 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 375 D C 2.212 178.516 176.300 0.008 0.000 0.987 375 D CA 1.254 55.288 54.000 0.057 0.000 0.829 375 D CB -0.002 40.874 40.800 0.127 0.000 0.961 375 D HN 0.422 nan 8.370 nan 0.000 0.460 376 K N -0.163 120.206 120.400 -0.051 0.000 2.097 376 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 376 K C 2.095 178.614 176.600 -0.136 0.000 1.050 376 K CA 0.842 57.080 56.287 -0.082 0.000 0.938 376 K CB -0.044 32.420 32.500 -0.061 0.000 0.718 376 K HN -0.030 nan 8.250 nan 0.000 0.442 377 K N 1.490 121.826 120.400 -0.106 0.000 2.026 377 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 377 K C 1.875 178.406 176.600 -0.114 0.000 1.048 377 K CA 1.174 57.403 56.287 -0.096 0.000 0.929 377 K CB -0.194 32.259 32.500 -0.079 0.000 0.713 377 K HN 0.045 nan 8.250 nan 0.000 0.439 378 L N 0.069 121.221 121.223 -0.120 0.000 2.141 378 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 378 L C 2.438 179.137 176.870 -0.286 0.000 1.094 378 L CA 1.285 56.062 54.840 -0.104 0.000 0.763 378 L CB -0.390 41.680 42.059 0.018 0.000 0.908 378 L HN 0.348 nan 8.230 nan 0.000 0.437 379 E N 0.734 120.568 120.200 -0.611 0.000 2.106 379 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 379 E C 2.102 178.451 176.600 -0.420 0.000 0.984 379 E CA 1.088 56.890 56.400 -0.996 0.000 0.806 379 E CB 0.051 29.038 29.700 -1.188 0.000 0.750 379 E HN 0.449 nan 8.360 nan 0.000 0.458 380 A N 0.225 122.892 122.820 -0.254 0.000 2.206 380 A HA 0.212 4.532 4.320 -0.000 0.000 0.211 380 A C 1.399 178.925 177.584 -0.097 0.000 1.158 380 A CA 0.828 52.782 52.037 -0.138 0.000 0.761 380 A CB -0.404 18.538 19.000 -0.097 0.000 0.801 380 A HN 0.416 nan 8.150 nan 0.000 0.473 381 G N -0.537 108.202 108.800 -0.102 0.000 2.417 381 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.291 381 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.291 381 G C -0.350 174.530 174.900 -0.032 0.000 1.094 381 G CA 0.336 45.406 45.100 -0.049 0.000 1.146 381 G HN 0.662 nan 8.290 nan 0.000 0.519 382 Q N -0.809 118.970 119.800 -0.036 0.000 2.495 382 Q HA 0.684 5.024 4.340 -0.000 0.000 0.287 382 Q C -0.076 175.916 176.000 -0.014 0.000 1.078 382 Q CA -0.751 55.038 55.803 -0.024 0.000 0.793 382 Q CB 1.969 30.686 28.738 -0.035 0.000 1.459 382 Q HN 0.305 nan 8.270 nan 0.000 0.422 383 S N 0.923 116.619 115.700 -0.006 0.000 2.592 383 S HA 0.310 4.780 4.470 -0.000 0.000 0.271 383 S C 0.394 174.981 174.600 -0.023 0.000 1.326 383 S CA -0.413 57.790 58.200 0.005 0.000 1.024 383 S CB 0.332 63.541 63.200 0.015 0.000 0.921 383 S HN 0.563 nan 8.310 nan 0.000 0.527 384 I N 0.752 121.300 120.570 -0.037 0.000 3.817 384 I HA 0.403 4.573 4.170 -0.000 0.000 0.325 384 I C 0.448 176.535 176.117 -0.050 0.000 1.550 384 I CA -0.132 61.121 61.300 -0.079 0.000 1.100 384 I CB -0.691 37.205 38.000 -0.174 0.000 1.216 384 I HN 0.375 nan 8.210 nan 0.000 0.481 385 D N 2.264 122.666 120.400 0.003 0.000 2.092 385 D HA -0.214 4.426 4.640 -0.000 0.000 0.193 385 D C 1.084 177.388 176.300 0.008 0.000 0.994 385 D CA 1.954 55.970 54.000 0.027 0.000 0.828 385 D CB 0.149 40.970 40.800 0.036 0.000 0.963 385 D HN 0.398 nan 8.370 nan 0.000 0.450 386 D N -1.023 119.376 120.400 -0.001 0.000 2.370 386 D HA 0.083 4.723 4.640 -0.000 0.000 0.230 386 D C 1.485 177.777 176.300 -0.013 0.000 1.143 386 D CA 0.008 54.006 54.000 -0.005 0.000 0.834 386 D CB 0.085 40.883 40.800 -0.003 0.000 0.944 386 D HN 0.125 nan 8.370 nan 0.000 0.504 387 M N -0.538 119.049 119.600 -0.023 0.000 2.357 387 M HA 0.126 4.606 4.480 -0.000 0.000 0.266 387 M C 0.750 177.035 176.300 -0.026 0.000 1.095 387 M CA 0.317 55.600 55.300 -0.030 0.000 1.156 387 M CB 0.086 32.658 32.600 -0.047 0.000 1.365 387 M HN -0.054 nan 8.290 nan 0.000 0.447 388 I N 2.586 123.142 120.570 -0.024 0.000 2.648 388 I HA -0.003 4.167 4.170 -0.000 0.000 0.284 388 I C -1.521 174.589 176.117 -0.012 0.000 1.153 388 I CA -1.436 59.854 61.300 -0.016 0.000 1.426 388 I CB -0.004 37.997 38.000 0.001 0.000 1.381 388 I HN 0.024 nan 8.210 nan 0.000 0.571 389 P HA 0.027 nan 4.420 nan 0.000 0.281 389 P C -0.373 176.916 177.300 -0.017 0.000 1.274 389 P CA -0.333 62.756 63.100 -0.018 0.000 0.794 389 P CB 0.389 32.074 31.700 -0.025 0.000 1.201 390 K N 0.000 120.388 120.400 -0.020 0.000 2.780 390 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 390 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 390 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 390 K HN 0.000 nan 8.250 nan 0.000 0.543