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 2ze4_1_A DATA FIRST_RESID 4 DATA SEQUENCE PPTPHLDAIE RSLRDTSPGL EGSVWQRTDG NRLDAPDGDP AGWLLQTPGc DATA SEQUENCE WGDAGcKDRA GTRRLLDKMT RNIADARHTV DISSLAPFPN GGFEDAVVDG DATA SEQUENCE LKASVAAGHS PRVRILVGAA PIYHLNVVPS RYRDELIGKL GAAAGKVTLN DATA SEQUENCE VASMTTSKTS LSWNHSKLLV VDGKTAITGG INGWKDDYLD TAHPVSDVDM DATA SEQUENCE ALSGPAARSA GKYLDTLWDW TcRNASDPAK VWLATSNGAS cMPSMEQDEA DATA SEQUENCE GSAPAEPTGD VPVIAVGGLG VGIKESDPSS GYHPDLPTAP DTKcTVGLHD DATA SEQUENCE NTNADRDYDT VNPEENALRS LIASARSHVE ISQQDLNATc PPLPRYDIRT DATA SEQUENCE YDTLAGKLAA GVKVRIVVSD PANRGAVGSG GYSQIKSLDE ISDTLRTRLV DATA SEQUENCE ALTGDNEKAS RALcGNLQLA SFRSSDAAKW ADGKPYALHH KLVSVDDSAF DATA SEQUENCE YIGSKNLYPA WLQDFGYIVE SPAAAQQLKT ELLDPEWKYS QQAAATPAGc DATA SEQUENCE P 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.296 177.300 -0.007 0.000 1.155 4 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 4 P CB 0.000 31.695 31.700 -0.008 0.000 0.726 5 P HA 0.603 nan 4.420 nan 0.000 0.281 5 P C -0.717 176.582 177.300 -0.002 0.000 1.264 5 P CA -0.309 62.786 63.100 -0.008 0.000 0.824 5 P CB 1.016 32.709 31.700 -0.012 0.000 1.092 6 T N -3.542 111.007 114.554 -0.008 0.000 3.504 6 T HA 0.287 4.659 4.350 0.038 0.000 0.286 6 T C -1.965 172.725 174.700 -0.017 0.000 1.530 6 T CA -1.223 60.880 62.100 0.004 0.000 1.652 6 T CB 0.621 69.486 68.868 -0.004 0.000 0.895 6 T HN 0.130 nan 8.240 nan 0.000 0.674 7 P HA -0.105 nan 4.420 nan 0.000 0.218 7 P C 0.897 178.063 177.300 -0.224 0.000 1.149 7 P CA 1.299 64.295 63.100 -0.173 0.000 0.817 7 P CB 0.066 31.604 31.700 -0.270 0.000 0.785 8 H N -0.333 118.708 119.070 -0.048 0.000 2.333 8 H HA 0.030 4.609 4.556 0.038 0.000 0.302 8 H C 2.202 177.493 175.328 -0.063 0.000 1.075 8 H CA 0.999 57.013 56.048 -0.057 0.000 1.348 8 H CB -1.143 28.582 29.762 -0.062 0.000 1.393 8 H HN -0.002 nan 8.280 nan 0.000 0.509 9 L N 0.495 121.752 121.223 0.057 0.000 2.083 9 L HA -0.182 4.181 4.340 0.038 0.000 0.209 9 L C 1.674 178.536 176.870 -0.013 0.000 1.083 9 L CA 1.085 55.928 54.840 0.004 0.000 0.752 9 L CB -0.274 41.782 42.059 -0.006 0.000 0.899 9 L HN 0.322 nan 8.230 nan 0.000 0.433 10 D N 0.455 120.843 120.400 -0.021 0.000 2.117 10 D HA -0.148 4.515 4.640 0.038 0.000 0.197 10 D C 2.278 178.552 176.300 -0.043 0.000 0.987 10 D CA 1.511 55.494 54.000 -0.027 0.000 0.829 10 D CB -0.118 40.662 40.800 -0.032 0.000 0.961 10 D HN 0.293 nan 8.370 nan 0.000 0.460 11 A N 0.749 123.535 122.820 -0.056 0.000 1.908 11 A HA -0.157 4.186 4.320 0.038 0.000 0.218 11 A C 2.374 179.910 177.584 -0.079 0.000 1.181 11 A CA 1.052 53.051 52.037 -0.064 0.000 0.627 11 A CB -0.757 18.203 19.000 -0.067 0.000 0.818 11 A HN 0.203 nan 8.150 nan 0.000 0.445 12 I N -0.822 119.701 120.570 -0.079 0.000 2.252 12 I HA -0.226 3.967 4.170 0.038 0.000 0.245 12 I C 2.539 178.544 176.117 -0.187 0.000 1.102 12 I CA 1.627 62.853 61.300 -0.123 0.000 1.385 12 I CB -0.316 37.624 38.000 -0.099 0.000 1.064 12 I HN 0.510 nan 8.210 nan 0.000 0.414 13 E N 1.341 121.462 120.200 -0.132 0.000 2.085 13 E HA -0.293 4.079 4.350 0.038 0.000 0.194 13 E C 2.382 178.885 176.600 -0.160 0.000 0.994 13 E CA 1.241 57.557 56.400 -0.139 0.000 0.801 13 E CB -0.004 29.705 29.700 0.014 0.000 0.743 13 E HN 0.297 nan 8.360 nan 0.000 0.453 14 R N 0.184 120.624 120.500 -0.101 0.000 2.083 14 R HA -0.150 4.213 4.340 0.038 0.000 0.237 14 R C 2.593 178.818 176.300 -0.125 0.000 1.137 14 R CA 1.786 57.839 56.100 -0.077 0.000 0.951 14 R CB -0.432 29.836 30.300 -0.054 0.000 0.851 14 R HN 0.115 nan 8.270 nan 0.000 0.434 15 S N -0.013 115.589 115.700 -0.164 0.000 2.402 15 S HA -0.057 4.436 4.470 0.038 0.000 0.229 15 S C 1.924 176.330 174.600 -0.324 0.000 1.021 15 S CA 0.925 59.011 58.200 -0.190 0.000 0.974 15 S CB -0.124 62.975 63.200 -0.169 0.000 0.800 15 S HN 0.368 nan 8.310 nan 0.000 0.484 16 L N 0.402 121.316 121.223 -0.516 0.000 2.131 16 L HA 0.168 4.531 4.340 0.038 0.000 0.206 16 L C 2.914 179.399 176.870 -0.642 0.000 1.087 16 L CA 1.052 55.368 54.840 -0.872 0.000 0.767 16 L CB -0.492 40.518 42.059 -1.747 0.000 0.917 16 L HN 0.246 nan 8.230 nan 0.000 0.441 17 R N 0.433 120.719 120.500 -0.357 0.000 2.152 17 R HA -0.205 4.158 4.340 0.038 0.000 0.232 17 R C 1.810 178.121 176.300 0.018 0.000 1.117 17 R CA 1.735 57.870 56.100 0.059 0.000 0.981 17 R CB -0.062 30.332 30.300 0.157 0.000 0.870 17 R HN 0.333 nan 8.270 nan 0.000 0.451 18 D N -1.635 118.729 120.400 -0.059 0.000 2.162 18 D HA -0.066 4.597 4.640 0.038 0.000 0.203 18 D C 1.300 177.579 176.300 -0.035 0.000 0.967 18 D CA 1.265 55.263 54.000 -0.005 0.000 0.840 18 D CB 0.290 41.093 40.800 0.006 0.000 0.972 18 D HN 0.070 nan 8.370 nan 0.000 0.482 19 T N -1.489 112.925 114.554 -0.234 0.000 2.852 19 T HA 0.066 4.438 4.350 0.038 0.000 0.256 19 T C 0.599 175.125 174.700 -0.290 0.000 1.038 19 T CA 0.775 62.567 62.100 -0.513 0.000 1.141 19 T CB 0.145 68.613 68.868 -0.667 0.000 0.869 19 T HN -0.066 nan 8.240 nan 0.000 0.439 20 S N 1.251 116.866 115.700 -0.141 0.000 2.407 20 S HA 0.245 4.738 4.470 0.038 0.000 0.166 20 S C -2.176 172.592 174.600 0.280 0.000 1.445 20 S CA -0.816 57.409 58.200 0.042 0.000 1.260 20 S CB 1.389 64.627 63.200 0.064 0.000 1.401 20 S HN 0.278 nan 8.310 nan 0.000 0.379 21 P HA -0.017 nan 4.420 nan 0.000 0.222 21 P C 1.442 178.844 177.300 0.170 0.000 1.147 21 P CA 0.851 64.106 63.100 0.259 0.000 0.790 21 P CB -0.115 31.680 31.700 0.158 0.000 0.780 22 G N -0.709 108.167 108.800 0.128 0.000 2.813 22 G HA2 -0.028 3.955 3.960 0.038 0.000 0.209 22 G HA3 -0.028 3.955 3.960 0.038 0.000 0.209 22 G C 1.084 176.014 174.900 0.050 0.000 1.150 22 G CA 0.127 45.268 45.100 0.068 0.000 0.785 22 G HN 0.153 nan 8.290 nan 0.000 0.535 23 L N 0.195 121.479 121.223 0.102 0.000 2.693 23 L HA 0.308 4.671 4.340 0.038 0.000 0.235 23 L C 0.931 177.692 176.870 -0.181 0.000 1.127 23 L CA -0.611 54.266 54.840 0.061 0.000 0.914 23 L CB 0.148 42.318 42.059 0.185 0.000 1.193 23 L HN 0.239 nan 8.230 nan 0.000 0.502 24 E N 0.066 120.041 120.200 -0.375 0.000 2.465 24 E HA 0.269 4.642 4.350 0.038 0.000 0.260 24 E C 1.280 177.558 176.600 -0.536 0.000 0.980 24 E CA 0.947 56.756 56.400 -0.985 0.000 0.927 24 E CB 0.187 29.411 29.700 -0.793 0.000 0.934 24 E HN 0.379 nan 8.360 nan 0.000 0.459 25 G N 2.735 111.221 108.800 -0.523 0.000 2.195 25 G HA2 -0.337 3.646 3.960 0.038 0.000 0.246 25 G HA3 -0.337 3.646 3.960 0.038 0.000 0.246 25 G C 0.738 175.569 174.900 -0.114 0.000 0.984 25 G CA 0.782 45.734 45.100 -0.247 0.000 0.633 25 G HN 0.788 nan 8.290 nan 0.000 0.525 26 S N -1.976 113.671 115.700 -0.088 0.000 3.056 26 S HA 0.359 4.851 4.470 0.038 0.000 0.255 26 S C 1.703 176.399 174.600 0.160 0.000 1.079 26 S CA 1.214 59.437 58.200 0.038 0.000 0.810 26 S CB 0.386 63.608 63.200 0.036 0.000 0.810 26 S HN 0.712 nan 8.310 nan 0.000 0.477 27 V N 1.734 121.746 119.914 0.163 0.000 3.431 27 V HA 0.357 4.499 4.120 0.038 0.000 0.253 27 V C 0.509 176.798 176.094 0.326 0.000 1.184 27 V CA 0.376 62.868 62.300 0.319 0.000 1.104 27 V CB -0.121 31.873 31.823 0.286 0.000 0.799 27 V HN 0.779 nan 8.190 nan 0.000 0.462 28 W N 0.227 121.569 121.300 0.070 0.000 3.118 28 W HA 0.774 5.456 4.660 0.036 0.000 0.328 28 W C -1.401 175.144 176.519 0.044 0.000 1.239 28 W CA -0.943 56.414 57.345 0.021 0.000 1.176 28 W CB 1.712 31.147 29.460 -0.041 0.000 1.433 28 W HN 0.037 nan 8.180 nan 0.000 0.562 29 Q N 2.331 122.209 119.800 0.130 0.000 2.518 29 Q HA 0.276 4.638 4.340 0.038 0.000 0.254 29 Q C -1.792 174.289 176.000 0.135 0.000 0.962 29 Q CA -0.622 55.109 55.803 -0.121 0.000 0.982 29 Q CB 2.649 31.326 28.738 -0.102 0.000 1.516 29 Q HN 0.682 nan 8.270 nan 0.000 0.426 30 R N 1.733 122.311 120.500 0.130 0.000 2.357 30 R HA 0.661 5.024 4.340 0.038 0.000 0.296 30 R C -0.979 175.349 176.300 0.046 0.000 1.052 30 R CA 0.529 56.706 56.100 0.128 0.000 0.988 30 R CB 1.033 31.431 30.300 0.163 0.000 1.025 30 R HN 0.748 nan 8.270 nan 0.000 0.469 31 T N -0.233 114.339 114.554 0.030 0.000 2.900 31 T HA 0.380 4.753 4.350 0.038 0.000 0.303 31 T C -1.019 173.670 174.700 -0.019 0.000 1.142 31 T CA -1.128 60.973 62.100 0.002 0.000 1.007 31 T CB 1.978 70.848 68.868 0.003 0.000 1.156 31 T HN 0.401 nan 8.240 nan 0.000 0.490 32 D N -0.397 119.989 120.400 -0.024 0.000 2.384 32 D HA 0.638 5.301 4.640 0.038 0.000 0.250 32 D C 1.196 177.470 176.300 -0.044 0.000 1.029 32 D CA 0.482 54.461 54.000 -0.036 0.000 0.990 32 D CB 1.342 42.126 40.800 -0.027 0.000 1.175 32 D HN 1.269 nan 8.370 nan 0.000 0.532 33 G N 0.669 109.438 108.800 -0.052 0.000 2.149 33 G HA2 -0.212 3.771 3.960 0.038 0.000 0.235 33 G HA3 -0.212 3.771 3.960 0.038 0.000 0.235 33 G C 0.046 174.908 174.900 -0.063 0.000 1.018 33 G CA -0.378 44.692 45.100 -0.049 0.000 0.728 33 G HN 0.424 nan 8.290 nan 0.000 0.508 34 N N -0.292 118.354 118.700 -0.091 0.000 2.495 34 N HA 0.587 5.350 4.740 0.038 0.000 0.280 34 N C 0.133 175.568 175.510 -0.126 0.000 1.168 34 N CA -0.380 52.599 53.050 -0.118 0.000 0.978 34 N CB 1.338 39.723 38.487 -0.171 0.000 1.191 34 N HN 0.456 nan 8.380 nan 0.000 0.497 35 R N 1.012 121.436 120.500 -0.127 0.000 2.534 35 R HA 0.393 4.756 4.340 0.038 0.000 0.301 35 R C -0.838 175.365 176.300 -0.163 0.000 0.961 35 R CA -0.610 55.415 56.100 -0.125 0.000 0.871 35 R CB 0.909 31.166 30.300 -0.071 0.000 1.170 35 R HN 0.464 nan 8.270 nan 0.000 0.446 36 L N 3.745 124.825 121.223 -0.238 0.000 2.385 36 L HA 0.127 4.489 4.340 0.038 0.000 0.281 36 L C -0.021 176.810 176.870 -0.064 0.000 1.106 36 L CA -0.107 54.548 54.840 -0.309 0.000 0.856 36 L CB 0.759 42.300 42.059 -0.863 0.000 1.186 36 L HN 0.577 nan 8.230 nan 0.000 0.453 37 D N 3.872 124.309 120.400 0.062 0.000 2.508 37 D HA 0.290 4.953 4.640 0.038 0.000 0.224 37 D C 0.027 176.434 176.300 0.179 0.000 1.171 37 D CA -0.038 54.020 54.000 0.096 0.000 1.006 37 D CB 0.536 41.380 40.800 0.072 0.000 1.073 37 D HN 0.500 nan 8.370 nan 0.000 0.513 38 A N 3.878 126.817 122.820 0.198 0.000 2.309 38 A HA 0.588 4.930 4.320 0.038 0.000 0.298 38 A C -2.156 175.498 177.584 0.117 0.000 1.165 38 A CA -1.211 50.951 52.037 0.209 0.000 0.821 38 A CB 0.449 19.617 19.000 0.280 0.000 1.102 38 A HN 0.394 nan 8.150 nan 0.000 0.500 39 P HA 0.120 nan 4.420 nan 0.000 0.271 39 P C -0.554 176.780 177.300 0.057 0.000 1.218 39 P CA -0.183 62.953 63.100 0.061 0.000 0.780 39 P CB 0.436 32.164 31.700 0.046 0.000 0.901 40 D N 1.336 121.763 120.400 0.045 0.000 2.533 40 D HA 0.177 4.840 4.640 0.038 0.000 0.236 40 D C 1.403 177.724 176.300 0.035 0.000 1.137 40 D CA 1.674 55.697 54.000 0.039 0.000 0.867 40 D CB -0.350 40.469 40.800 0.030 0.000 1.170 40 D HN 0.706 nan 8.370 nan 0.000 0.474 41 G N 3.541 112.362 108.800 0.035 0.000 2.179 41 G HA2 -0.270 3.713 3.960 0.038 0.000 0.257 41 G HA3 -0.270 3.713 3.960 0.038 0.000 0.257 41 G C 0.175 175.094 174.900 0.031 0.000 1.010 41 G CA 0.425 45.543 45.100 0.031 0.000 0.736 41 G HN 0.793 nan 8.290 nan 0.000 0.513 42 D N -1.042 119.382 120.400 0.039 0.000 2.978 42 D HA 0.367 5.030 4.640 0.038 0.000 0.268 42 D C -0.925 175.405 176.300 0.050 0.000 1.252 42 D CA -1.050 52.970 54.000 0.033 0.000 0.771 42 D CB 0.659 41.474 40.800 0.025 0.000 1.361 42 D HN 0.078 nan 8.370 nan 0.000 0.558 43 P HA 0.001 nan 4.420 nan 0.000 0.222 43 P C 0.921 178.312 177.300 0.152 0.000 1.147 43 P CA 0.639 63.807 63.100 0.113 0.000 0.790 43 P CB 0.256 32.013 31.700 0.096 0.000 0.780 44 A N -0.368 122.466 122.820 0.024 0.000 2.337 44 A HA 0.377 4.719 4.320 0.038 0.000 0.227 44 A C 2.023 179.375 177.584 -0.388 0.000 1.259 44 A CA 0.422 52.355 52.037 -0.173 0.000 0.870 44 A CB -1.187 17.703 19.000 -0.184 0.000 0.927 44 A HN 0.231 nan 8.150 nan 0.000 0.497 45 G N -0.299 108.425 108.800 -0.127 0.000 2.776 45 G HA2 -0.096 3.887 3.960 0.038 0.000 0.209 45 G HA3 -0.096 3.887 3.960 0.038 0.000 0.209 45 G C 1.135 176.014 174.900 -0.035 0.000 1.145 45 G CA 0.639 45.687 45.100 -0.086 0.000 0.791 45 G HN 0.880 nan 8.290 nan 0.000 0.530 46 W N -0.708 120.608 121.300 0.027 0.000 2.678 46 W HA 0.304 4.969 4.660 0.009 0.000 0.256 46 W C -0.076 176.463 176.519 0.033 0.000 1.280 46 W CA -0.496 56.867 57.345 0.030 0.000 1.345 46 W CB -0.453 29.025 29.460 0.031 0.000 1.118 46 W HN 0.044 nan 8.180 nan 0.000 0.629 47 L N 2.814 123.564 121.223 -0.788 0.000 2.268 47 L HA 0.310 4.673 4.340 0.038 0.000 0.289 47 L C -0.329 176.381 176.870 -0.267 0.000 1.064 47 L CA -0.525 53.884 54.840 -0.717 0.000 0.824 47 L CB 0.343 41.729 42.059 -1.122 0.000 1.202 47 L HN -0.078 nan 8.230 nan 0.000 0.433 48 L N 6.309 127.480 121.223 -0.087 0.000 2.397 48 L HA 0.326 4.688 4.340 0.038 0.000 0.263 48 L C 0.333 177.206 176.870 0.005 0.000 1.136 48 L CA -0.347 54.481 54.840 -0.019 0.000 1.019 48 L CB 0.028 42.107 42.059 0.034 0.000 1.352 48 L HN 0.648 nan 8.230 nan 0.000 0.420 49 Q N 0.602 120.407 119.800 0.008 0.000 2.260 49 Q HA 0.595 4.957 4.340 0.038 0.000 0.238 49 Q C -0.392 175.665 176.000 0.095 0.000 0.948 49 Q CA -0.601 55.248 55.803 0.076 0.000 0.895 49 Q CB 2.195 31.015 28.738 0.135 0.000 1.218 49 Q HN 0.220 nan 8.270 nan 0.000 0.470 50 T N 0.531 115.165 114.554 0.132 0.000 2.993 50 T HA 0.363 4.735 4.350 0.038 0.000 0.312 50 T C -2.369 172.407 174.700 0.126 0.000 1.115 50 T CA -1.734 60.439 62.100 0.122 0.000 1.027 50 T CB 1.730 70.692 68.868 0.156 0.000 1.116 50 T HN 0.566 nan 8.240 nan 0.000 0.464 51 P HA 0.206 nan 4.420 nan 0.000 0.236 51 P C 0.866 178.166 177.300 0.000 0.000 1.177 51 P CA 0.754 63.872 63.100 0.030 0.000 0.773 51 P CB -0.223 31.475 31.700 -0.003 0.000 0.878 52 G N 1.331 110.101 108.800 -0.051 0.000 2.333 52 G HA2 -0.237 3.746 3.960 0.038 0.000 0.296 52 G HA3 -0.237 3.746 3.960 0.038 0.000 0.296 52 G C 0.271 175.149 174.900 -0.038 0.000 1.059 52 G CA 0.043 45.120 45.100 -0.039 0.000 1.050 52 G HN 0.631 nan 8.290 nan 0.000 0.508 53 c N -2.114 116.390 118.600 -0.160 0.000 3.290 53 c HA 0.601 5.193 4.570 0.038 0.000 0.206 53 c C 0.635 174.692 174.090 -0.054 0.000 1.639 53 c CA -2.174 54.142 56.329 -0.022 0.000 1.408 53 c CB -1.355 41.174 42.510 0.031 0.000 2.197 53 c HN 0.488 nan 8.230 nan 0.000 0.508 54 W N 1.207 122.550 121.300 0.071 0.000 2.257 54 W HA 0.437 5.118 4.660 0.034 0.000 0.337 54 W C 1.478 177.956 176.519 -0.068 0.000 1.321 54 W CA 2.155 59.496 57.345 -0.005 0.000 1.267 54 W CB 0.252 29.781 29.460 0.115 0.000 1.187 54 W HN 1.072 nan 8.180 nan 0.000 0.565 55 G N 1.602 110.339 108.800 -0.104 0.000 2.176 55 G HA2 -0.316 3.666 3.960 0.038 0.000 0.253 55 G HA3 -0.316 3.666 3.960 0.038 0.000 0.253 55 G C -0.434 174.422 174.900 -0.073 0.000 0.979 55 G CA 0.168 45.197 45.100 -0.118 0.000 0.641 55 G HN 0.549 nan 8.290 nan 0.000 0.530 56 D N -0.132 120.245 120.400 -0.038 0.000 2.421 56 D HA 0.703 5.366 4.640 0.038 0.000 0.254 56 D C 1.173 177.553 176.300 0.132 0.000 1.238 56 D CA 0.428 54.455 54.000 0.044 0.000 0.919 56 D CB 0.705 41.550 40.800 0.074 0.000 1.152 56 D HN 0.458 nan 8.370 nan 0.000 0.552 57 A N 2.595 125.482 122.820 0.111 0.000 2.131 57 A HA 0.044 4.387 4.320 0.038 0.000 0.220 57 A C 1.829 179.611 177.584 0.330 0.000 1.158 57 A CA 1.603 53.770 52.037 0.216 0.000 0.665 57 A CB -0.269 18.784 19.000 0.089 0.000 0.795 57 A HN 0.568 nan 8.150 nan 0.000 0.460 58 G N -2.746 106.172 108.800 0.198 0.000 2.887 58 G HA2 0.172 4.155 3.960 0.038 0.000 0.211 58 G HA3 0.172 4.155 3.960 0.038 0.000 0.211 58 G C 0.610 175.559 174.900 0.081 0.000 1.152 58 G CA 0.647 45.822 45.100 0.126 0.000 0.769 58 G HN 0.900 nan 8.290 nan 0.000 0.541 59 c N 0.193 118.875 118.600 0.137 0.000 3.896 59 c HA -0.169 4.423 4.570 0.038 0.000 0.300 59 c C 2.010 176.096 174.090 -0.007 0.000 1.322 59 c CA 0.803 57.169 56.329 0.062 0.000 2.130 59 c CB -1.974 40.484 42.510 -0.087 0.000 1.363 59 c HN 0.654 nan 8.230 nan 0.000 0.642 60 K N 0.454 120.863 120.400 0.016 0.000 2.098 60 K HA -0.027 4.316 4.320 0.038 0.000 0.203 60 K C 0.637 177.236 176.600 -0.003 0.000 1.051 60 K CA 1.353 57.640 56.287 0.001 0.000 0.957 60 K CB 0.042 32.549 32.500 0.012 0.000 0.738 60 K HN 0.687 nan 8.250 nan 0.000 0.447 61 D N 1.013 121.420 120.400 0.011 0.000 2.473 61 D HA 0.057 4.720 4.640 0.038 0.000 0.226 61 D C -0.868 175.439 176.300 0.011 0.000 1.089 61 D CA -0.415 53.592 54.000 0.012 0.000 0.883 61 D CB 0.460 41.276 40.800 0.027 0.000 1.029 61 D HN -0.069 nan 8.370 nan 0.000 0.517 62 R N 3.366 123.862 120.500 -0.007 0.000 3.266 62 R HA 0.366 4.729 4.340 0.038 0.000 0.224 62 R C 0.943 177.244 176.300 0.002 0.000 1.525 62 R CA -0.261 55.834 56.100 -0.009 0.000 1.364 62 R CB 0.612 30.893 30.300 -0.032 0.000 1.276 62 R HN 0.346 nan 8.270 nan 0.000 0.660 63 A N 1.946 124.778 122.820 0.020 0.000 1.969 63 A HA -0.072 4.271 4.320 0.038 0.000 0.218 63 A C 2.213 179.811 177.584 0.023 0.000 1.169 63 A CA 1.522 53.573 52.037 0.023 0.000 0.635 63 A CB -0.446 18.578 19.000 0.039 0.000 0.810 63 A HN 0.678 nan 8.150 nan 0.000 0.445 64 G N -0.709 108.111 108.800 0.033 0.000 2.459 64 G HA2 -0.195 3.788 3.960 0.038 0.000 0.217 64 G HA3 -0.195 3.788 3.960 0.038 0.000 0.217 64 G C 1.586 176.499 174.900 0.021 0.000 1.183 64 G CA 1.686 46.807 45.100 0.035 0.000 0.776 64 G HN 0.419 nan 8.290 nan 0.000 0.552 65 T N 0.100 114.661 114.554 0.012 0.000 2.720 65 T HA -0.103 4.270 4.350 0.038 0.000 0.268 65 T C 2.348 177.027 174.700 -0.034 0.000 1.037 65 T CA 1.300 63.394 62.100 -0.010 0.000 1.144 65 T CB -0.115 68.738 68.868 -0.026 0.000 0.864 65 T HN 0.239 nan 8.240 nan 0.000 0.444 66 R N 0.567 121.052 120.500 -0.024 0.000 2.075 66 R HA -0.008 4.355 4.340 0.038 0.000 0.232 66 R C 2.691 178.981 176.300 -0.017 0.000 1.126 66 R CA 1.276 57.360 56.100 -0.028 0.000 0.963 66 R CB -0.097 30.193 30.300 -0.017 0.000 0.858 66 R HN 0.284 nan 8.270 nan 0.000 0.435 67 R N 0.432 120.929 120.500 -0.004 0.000 2.075 67 R HA -0.137 4.226 4.340 0.038 0.000 0.232 67 R C 2.261 178.566 176.300 0.008 0.000 1.126 67 R CA 1.349 57.452 56.100 0.004 0.000 0.963 67 R CB -0.395 29.908 30.300 0.005 0.000 0.858 67 R HN 0.216 nan 8.270 nan 0.000 0.435 68 L N 1.066 122.294 121.223 0.008 0.000 1.990 68 L HA -0.172 4.191 4.340 0.038 0.000 0.213 68 L C 2.038 178.915 176.870 0.012 0.000 1.072 68 L CA 1.802 56.654 54.840 0.021 0.000 0.755 68 L CB -0.410 41.668 42.059 0.033 0.000 0.889 68 L HN 0.275 nan 8.230 nan 0.000 0.432 69 L N -0.777 120.427 121.223 -0.032 0.000 2.093 69 L HA -0.197 4.166 4.340 0.038 0.000 0.208 69 L C 2.297 179.157 176.870 -0.016 0.000 1.085 69 L CA 1.553 56.360 54.840 -0.056 0.000 0.755 69 L CB -0.754 41.231 42.059 -0.123 0.000 0.904 69 L HN 0.374 nan 8.230 nan 0.000 0.435 70 D N 0.204 120.598 120.400 -0.010 0.000 2.097 70 D HA -0.227 4.435 4.640 0.038 0.000 0.195 70 D C 2.128 178.440 176.300 0.019 0.000 0.989 70 D CA 1.172 55.174 54.000 0.004 0.000 0.827 70 D CB 0.169 40.971 40.800 0.004 0.000 0.966 70 D HN -0.088 nan 8.370 nan 0.000 0.456 71 K N -0.133 120.284 120.400 0.028 0.000 2.057 71 K HA -0.043 4.300 4.320 0.038 0.000 0.207 71 K C 2.086 178.715 176.600 0.048 0.000 1.049 71 K CA 1.209 57.521 56.287 0.042 0.000 0.931 71 K CB -0.347 32.184 32.500 0.052 0.000 0.714 71 K HN 0.216 nan 8.250 nan 0.000 0.440 72 M N -0.235 119.397 119.600 0.053 0.000 2.086 72 M HA -0.164 4.339 4.480 0.038 0.000 0.261 72 M C 1.900 178.232 176.300 0.054 0.000 1.067 72 M CA 2.120 57.459 55.300 0.066 0.000 1.116 72 M CB -0.413 32.240 32.600 0.088 0.000 1.348 72 M HN 0.131 nan 8.290 nan 0.000 0.407 73 T N -0.025 114.553 114.554 0.039 0.000 2.684 73 T HA -0.144 4.228 4.350 0.038 0.000 0.267 73 T C 1.820 176.538 174.700 0.030 0.000 1.036 73 T CA 1.299 63.418 62.100 0.033 0.000 1.148 73 T CB -0.289 68.591 68.868 0.020 0.000 0.863 73 T HN 0.377 nan 8.240 nan 0.000 0.436 74 R N 0.918 121.435 120.500 0.028 0.000 2.075 74 R HA -0.014 4.349 4.340 0.038 0.000 0.232 74 R C 2.465 178.780 176.300 0.025 0.000 1.126 74 R CA 1.289 57.404 56.100 0.026 0.000 0.963 74 R CB -0.290 30.025 30.300 0.026 0.000 0.858 74 R HN 0.290 nan 8.270 nan 0.000 0.435 75 N N 0.763 119.482 118.700 0.032 0.000 2.104 75 N HA -0.126 4.637 4.740 0.038 0.000 0.190 75 N C 1.725 177.247 175.510 0.021 0.000 1.024 75 N CA 1.239 54.306 53.050 0.029 0.000 0.853 75 N CB -0.118 38.395 38.487 0.042 0.000 1.008 75 N HN 0.217 nan 8.380 nan 0.000 0.424 76 I N 0.251 120.839 120.570 0.029 0.000 2.353 76 I HA -0.129 4.063 4.170 0.038 0.000 0.248 76 I C 2.131 178.257 176.117 0.015 0.000 1.119 76 I CA 0.669 61.984 61.300 0.025 0.000 1.417 76 I CB -0.282 37.742 38.000 0.040 0.000 1.078 76 I HN 0.054 nan 8.210 nan 0.000 0.421 77 A N 0.516 123.348 122.820 0.020 0.000 1.978 77 A HA -0.224 4.119 4.320 0.038 0.000 0.220 77 A C 1.731 179.325 177.584 0.017 0.000 1.170 77 A CA 1.883 53.934 52.037 0.023 0.000 0.636 77 A CB -0.493 18.521 19.000 0.024 0.000 0.810 77 A HN 0.350 nan 8.150 nan 0.000 0.448 78 D N 0.168 120.567 120.400 -0.001 0.000 2.363 78 D HA 0.230 4.893 4.640 0.038 0.000 0.226 78 D C 0.891 177.136 176.300 -0.090 0.000 1.020 78 D CA 0.782 54.766 54.000 -0.026 0.000 0.892 78 D CB -0.372 40.416 40.800 -0.020 0.000 0.900 78 D HN 0.447 nan 8.370 nan 0.000 0.531 79 A N 0.666 123.432 122.820 -0.090 0.000 2.546 79 A HA 0.074 4.417 4.320 0.038 0.000 0.243 79 A C 1.227 178.590 177.584 -0.368 0.000 1.063 79 A CA 0.161 52.104 52.037 -0.158 0.000 0.757 79 A CB 0.353 19.305 19.000 -0.080 0.000 0.991 79 A HN 0.103 nan 8.150 nan 0.000 0.503 80 R N 0.455 120.628 120.500 -0.546 0.000 2.221 80 R HA 0.143 4.506 4.340 0.038 0.000 0.195 80 R C 0.849 176.756 176.300 -0.655 0.000 0.956 80 R CA 1.166 56.667 56.100 -0.998 0.000 1.064 80 R CB 0.211 29.799 30.300 -1.187 0.000 1.049 80 R HN 0.956 nan 8.270 nan 0.000 0.534 81 H N -1.241 117.740 119.070 -0.149 0.000 2.381 81 H HA 0.172 4.752 4.556 0.039 0.000 0.252 81 H C 0.042 175.335 175.328 -0.057 0.000 0.920 81 H CA 0.503 56.504 56.048 -0.077 0.000 1.100 81 H CB 1.196 30.921 29.762 -0.061 0.000 1.435 81 H HN 0.024 nan 8.280 nan 0.000 0.454 82 T N -0.427 114.159 114.554 0.054 0.000 2.933 82 T HA 0.641 5.014 4.350 0.038 0.000 0.305 82 T C -1.157 173.542 174.700 -0.000 0.000 1.092 82 T CA -0.810 61.302 62.100 0.019 0.000 1.008 82 T CB 2.297 71.174 68.868 0.014 0.000 1.102 82 T HN -0.043 nan 8.240 nan 0.000 0.469 83 V N 2.242 122.153 119.914 -0.005 0.000 2.569 83 V HA 0.592 4.735 4.120 0.038 0.000 0.301 83 V C -1.316 174.785 176.094 0.011 0.000 1.044 83 V CA -0.648 61.658 62.300 0.011 0.000 0.874 83 V CB 1.914 33.750 31.823 0.021 0.000 1.002 83 V HN 1.043 nan 8.190 nan 0.000 0.424 84 D N 4.249 124.666 120.400 0.029 0.000 2.549 84 D HA 0.619 5.282 4.640 0.038 0.000 0.251 84 D C -0.952 175.405 176.300 0.094 0.000 1.153 84 D CA -0.079 53.946 54.000 0.042 0.000 0.861 84 D CB 1.624 42.439 40.800 0.025 0.000 1.207 84 D HN 0.418 nan 8.370 nan 0.000 0.543 85 I N 2.004 122.663 120.570 0.149 0.000 2.465 85 I HA 0.340 4.533 4.170 0.038 0.000 0.291 85 I C -0.010 176.229 176.117 0.204 0.000 1.014 85 I CA -0.698 60.699 61.300 0.161 0.000 1.093 85 I CB 1.978 40.083 38.000 0.175 0.000 1.267 85 I HN 0.262 nan 8.210 nan 0.000 0.431 86 S N 3.817 119.601 115.700 0.141 0.000 2.542 86 S HA 0.867 5.360 4.470 0.038 0.000 0.293 86 S C -0.698 173.927 174.600 0.041 0.000 1.089 86 S CA -0.585 57.687 58.200 0.120 0.000 0.961 86 S CB 2.363 65.635 63.200 0.120 0.000 1.062 86 S HN 0.617 nan 8.310 nan 0.000 0.483 87 S N 0.243 115.944 115.700 0.001 0.000 2.703 87 S HA 0.605 5.098 4.470 0.038 0.000 0.273 87 S C -2.206 172.342 174.600 -0.087 0.000 1.178 87 S CA -0.692 57.458 58.200 -0.084 0.000 0.838 87 S CB 0.950 64.086 63.200 -0.108 0.000 1.178 87 S HN 1.069 nan 8.310 nan 0.000 0.494 88 L N 2.834 123.984 121.223 -0.121 0.000 2.289 88 L HA 0.849 5.212 4.340 0.038 0.000 0.285 88 L C 0.391 177.283 176.870 0.037 0.000 1.049 88 L CA -0.062 54.771 54.840 -0.012 0.000 0.804 88 L CB 0.688 42.763 42.059 0.027 0.000 1.195 88 L HN 0.802 nan 8.230 nan 0.000 0.428 89 A N 7.174 129.920 122.820 -0.123 0.000 2.507 89 A HA 0.426 4.769 4.320 0.038 0.000 0.235 89 A C -2.259 175.241 177.584 -0.141 0.000 1.070 89 A CA -0.655 51.237 52.037 -0.242 0.000 0.768 89 A CB -1.014 17.764 19.000 -0.369 0.000 1.011 89 A HN 0.679 nan 8.150 nan 0.000 0.502 90 P HA 0.217 nan 4.420 nan 0.000 0.272 90 P C -0.343 176.926 177.300 -0.051 0.000 1.230 90 P CA -0.241 62.796 63.100 -0.105 0.000 0.788 90 P CB 0.195 31.858 31.700 -0.062 0.000 0.949 91 F N 1.120 120.991 119.950 -0.132 0.000 2.646 91 F HA 0.009 4.558 4.527 0.037 0.000 0.363 91 F C -1.229 174.494 175.800 -0.128 0.000 1.143 91 F CA -0.458 57.324 58.000 -0.363 0.000 1.356 91 F CB -1.487 36.829 39.000 -1.140 0.000 1.055 91 F HN 0.239 nan 8.300 nan 0.000 0.606 92 P HA -0.022 nan 4.420 nan 0.000 0.261 92 P C -0.846 176.706 177.300 0.420 0.000 1.173 92 P CA 0.366 63.638 63.100 0.288 0.000 0.760 92 P CB 0.320 32.205 31.700 0.309 0.000 0.783 93 N N 1.623 120.575 118.700 0.419 0.000 3.038 93 N HA 0.619 5.381 4.740 0.038 0.000 0.307 93 N C 0.519 176.247 175.510 0.362 0.000 1.441 93 N CA -0.198 53.081 53.050 0.382 0.000 0.772 93 N CB 0.199 38.871 38.487 0.310 0.000 1.651 93 N HN 0.538 nan 8.380 nan 0.000 0.593 94 G N -0.511 108.435 108.800 0.243 0.000 2.596 94 G HA2 -0.261 3.722 3.960 0.038 0.000 0.295 94 G HA3 -0.261 3.722 3.960 0.038 0.000 0.295 94 G C 0.918 175.885 174.900 0.111 0.000 1.240 94 G CA 1.141 46.339 45.100 0.163 0.000 0.985 94 G HN 1.263 nan 8.290 nan 0.000 0.555 95 G N -1.041 107.756 108.800 -0.005 0.000 2.448 95 G HA2 0.125 4.108 3.960 0.038 0.000 0.219 95 G HA3 0.125 4.108 3.960 0.038 0.000 0.219 95 G C 1.646 176.470 174.900 -0.127 0.000 1.127 95 G CA 1.666 46.696 45.100 -0.117 0.000 0.766 95 G HN 0.479 nan 8.290 nan 0.000 0.552 96 F N 0.825 120.824 119.950 0.083 0.000 2.069 96 F HA -0.034 4.515 4.527 0.037 0.000 0.298 96 F C 2.549 178.414 175.800 0.108 0.000 1.113 96 F CA 1.615 59.665 58.000 0.083 0.000 1.214 96 F CB -0.481 38.575 39.000 0.093 0.000 0.978 96 F HN 0.223 nan 8.300 nan 0.000 0.474 97 E N 0.228 120.626 120.200 0.329 0.000 2.110 97 E HA -0.218 4.155 4.350 0.038 0.000 0.193 97 E C 1.656 178.337 176.600 0.136 0.000 0.988 97 E CA 1.473 58.023 56.400 0.249 0.000 0.804 97 E CB -0.081 29.778 29.700 0.265 0.000 0.745 97 E HN 0.309 nan 8.360 nan 0.000 0.458 98 D N 0.185 120.641 120.400 0.093 0.000 2.144 98 D HA -0.130 4.533 4.640 0.038 0.000 0.200 98 D C 1.791 178.115 176.300 0.040 0.000 0.978 98 D CA 1.201 55.229 54.000 0.045 0.000 0.833 98 D CB -0.291 40.519 40.800 0.018 0.000 0.961 98 D HN 0.281 nan 8.370 nan 0.000 0.470 99 A N 0.677 123.525 122.820 0.047 0.000 1.902 99 A HA -0.140 4.203 4.320 0.038 0.000 0.217 99 A C 2.532 180.155 177.584 0.065 0.000 1.181 99 A CA 1.259 53.324 52.037 0.045 0.000 0.623 99 A CB -0.729 18.300 19.000 0.048 0.000 0.818 99 A HN 0.145 nan 8.150 nan 0.000 0.443 100 V N -0.466 119.504 119.914 0.095 0.000 2.261 100 V HA -0.224 3.919 4.120 0.038 0.000 0.246 100 V C 2.579 178.706 176.094 0.056 0.000 1.047 100 V CA 1.989 64.343 62.300 0.090 0.000 1.015 100 V CB -0.861 31.042 31.823 0.132 0.000 0.642 100 V HN 0.365 nan 8.190 nan 0.000 0.446 101 V N 0.377 120.317 119.914 0.043 0.000 2.295 101 V HA -0.264 3.879 4.120 0.038 0.000 0.246 101 V C 2.285 178.389 176.094 0.017 0.000 1.049 101 V CA 2.288 64.599 62.300 0.017 0.000 1.024 101 V CB -0.760 31.065 31.823 0.004 0.000 0.648 101 V HN 0.549 nan 8.190 nan 0.000 0.447 102 D N 0.552 120.964 120.400 0.020 0.000 2.144 102 D HA -0.098 4.565 4.640 0.038 0.000 0.199 102 D C 2.157 178.469 176.300 0.020 0.000 0.984 102 D CA 1.565 55.575 54.000 0.016 0.000 0.834 102 D CB -0.541 40.267 40.800 0.013 0.000 0.955 102 D HN 0.483 nan 8.370 nan 0.000 0.465 103 G N 0.377 109.194 108.800 0.027 0.000 2.394 103 G HA2 -0.125 3.858 3.960 0.038 0.000 0.215 103 G HA3 -0.125 3.858 3.960 0.038 0.000 0.215 103 G C 1.752 176.669 174.900 0.028 0.000 1.165 103 G CA 0.043 45.160 45.100 0.029 0.000 0.784 103 G HN 0.232 nan 8.290 nan 0.000 0.535 104 L N 0.060 121.300 121.223 0.028 0.000 2.083 104 L HA -0.059 4.304 4.340 0.038 0.000 0.209 104 L C 2.959 179.843 176.870 0.023 0.000 1.083 104 L CA 1.212 56.067 54.840 0.025 0.000 0.752 104 L CB -0.257 41.814 42.059 0.020 0.000 0.899 104 L HN 0.187 nan 8.230 nan 0.000 0.433 105 K N 0.065 120.475 120.400 0.016 0.000 2.057 105 K HA -0.139 4.203 4.320 0.038 0.000 0.207 105 K C 2.242 178.853 176.600 0.018 0.000 1.049 105 K CA 1.342 57.637 56.287 0.012 0.000 0.931 105 K CB -0.306 32.198 32.500 0.006 0.000 0.714 105 K HN 0.270 nan 8.250 nan 0.000 0.440 106 A N 1.026 123.859 122.820 0.022 0.000 1.940 106 A HA -0.210 4.133 4.320 0.038 0.000 0.219 106 A C 2.247 179.859 177.584 0.046 0.000 1.176 106 A CA 2.109 54.162 52.037 0.026 0.000 0.631 106 A CB -0.645 18.371 19.000 0.025 0.000 0.814 106 A HN 0.285 nan 8.150 nan 0.000 0.446 107 S N -0.759 114.978 115.700 0.062 0.000 2.355 107 S HA -0.111 4.382 4.470 0.038 0.000 0.222 107 S C 1.921 176.596 174.600 0.125 0.000 1.031 107 S CA 1.522 59.794 58.200 0.120 0.000 0.993 107 S CB -0.498 62.750 63.200 0.080 0.000 0.859 107 S HN 0.295 nan 8.310 nan 0.000 0.453 108 V N 2.399 122.351 119.914 0.063 0.000 2.332 108 V HA -0.166 3.977 4.120 0.038 0.000 0.248 108 V C 2.887 178.973 176.094 -0.013 0.000 1.055 108 V CA 1.837 64.154 62.300 0.028 0.000 1.038 108 V CB -1.384 30.450 31.823 0.018 0.000 0.651 108 V HN 0.621 nan 8.190 nan 0.000 0.450 109 A N 0.004 122.819 122.820 -0.008 0.000 1.940 109 A HA -0.089 4.253 4.320 0.038 0.000 0.219 109 A C 2.198 179.749 177.584 -0.055 0.000 1.176 109 A CA 1.818 53.840 52.037 -0.025 0.000 0.631 109 A CB -0.632 18.361 19.000 -0.011 0.000 0.814 109 A HN 0.632 nan 8.150 nan 0.000 0.446 110 A N -1.626 121.158 122.820 -0.061 0.000 2.261 110 A HA 0.408 4.750 4.320 0.038 0.000 0.208 110 A C 1.652 179.013 177.584 -0.372 0.000 1.223 110 A CA 1.145 53.097 52.037 -0.142 0.000 0.833 110 A CB -1.174 17.796 19.000 -0.051 0.000 0.830 110 A HN 1.929 nan 8.150 nan 0.000 0.483 111 G N -1.163 107.467 108.800 -0.284 0.000 2.131 111 G HA2 -0.189 3.794 3.960 0.038 0.000 0.223 111 G HA3 -0.189 3.794 3.960 0.038 0.000 0.223 111 G C -0.006 174.682 174.900 -0.355 0.000 0.990 111 G CA 0.187 45.108 45.100 -0.297 0.000 0.671 111 G HN 0.691 nan 8.290 nan 0.000 0.521 112 H N -0.019 119.045 119.070 -0.010 0.000 2.496 112 H HA 0.648 5.226 4.556 0.037 0.000 0.342 112 H C -0.168 175.163 175.328 0.005 0.000 1.170 112 H CA -0.051 55.993 56.048 -0.006 0.000 1.274 112 H CB 1.740 31.482 29.762 -0.032 0.000 1.538 112 H HN 0.058 nan 8.280 nan 0.000 0.542 113 S N 3.326 119.125 115.700 0.165 0.000 2.217 113 S HA 0.194 4.686 4.470 0.038 0.000 0.168 113 S C -2.376 172.272 174.600 0.080 0.000 1.526 113 S CA -1.078 57.178 58.200 0.092 0.000 1.150 113 S CB 0.254 63.494 63.200 0.068 0.000 1.158 113 S HN 0.436 nan 8.310 nan 0.000 0.473 114 P HA 0.218 nan 4.420 nan 0.000 0.271 114 P C -0.529 176.783 177.300 0.020 0.000 1.216 114 P CA -0.361 62.765 63.100 0.043 0.000 0.776 114 P CB 0.687 32.401 31.700 0.023 0.000 0.881 115 R N 1.217 121.723 120.500 0.010 0.000 2.297 115 R HA 0.545 4.907 4.340 0.038 0.000 0.308 115 R C -0.625 175.650 176.300 -0.041 0.000 1.029 115 R CA -0.802 55.283 56.100 -0.026 0.000 0.929 115 R CB 1.025 31.299 30.300 -0.043 0.000 1.046 115 R HN 0.268 nan 8.270 nan 0.000 0.461 116 V N 3.899 123.780 119.914 -0.056 0.000 2.577 116 V HA 0.424 4.567 4.120 0.038 0.000 0.303 116 V C -0.273 175.770 176.094 -0.085 0.000 1.042 116 V CA -0.896 61.378 62.300 -0.042 0.000 0.872 116 V CB 1.931 33.755 31.823 0.001 0.000 0.998 116 V HN 0.718 nan 8.190 nan 0.000 0.423 117 R N 4.837 125.270 120.500 -0.111 0.000 2.437 117 R HA 0.747 5.109 4.340 0.038 0.000 0.310 117 R C -1.307 175.082 176.300 0.148 0.000 0.955 117 R CA -0.608 55.382 56.100 -0.183 0.000 0.851 117 R CB 2.363 32.268 30.300 -0.657 0.000 1.161 117 R HN 0.618 nan 8.270 nan 0.000 0.446 118 I N 4.227 125.017 120.570 0.366 0.000 2.418 118 I HA 0.315 4.508 4.170 0.038 0.000 0.287 118 I C -1.056 175.455 176.117 0.655 0.000 1.008 118 I CA -0.981 60.603 61.300 0.473 0.000 1.104 118 I CB 1.858 40.119 38.000 0.436 0.000 1.264 118 I HN 0.278 nan 8.210 nan 0.000 0.438 119 L N 8.887 130.410 121.223 0.501 0.000 2.349 119 L HA 0.715 5.078 4.340 0.038 0.000 0.278 119 L C -0.650 176.283 176.870 0.103 0.000 0.996 119 L CA -0.520 54.480 54.840 0.267 0.000 0.825 119 L CB 1.801 43.912 42.059 0.088 0.000 1.243 119 L HN 0.433 nan 8.230 nan 0.000 0.412 120 V N 1.814 121.705 119.914 -0.039 0.000 2.769 120 V HA 1.001 5.144 4.120 0.038 0.000 0.312 120 V C 0.278 176.299 176.094 -0.122 0.000 1.061 120 V CA -0.226 61.968 62.300 -0.177 0.000 0.931 120 V CB 1.304 32.822 31.823 -0.508 0.000 1.010 120 V HN 0.858 nan 8.190 nan 0.000 0.433 121 G N 1.657 110.442 108.800 -0.024 0.000 2.448 121 G HA2 0.750 4.733 3.960 0.038 0.000 0.285 121 G HA3 0.750 4.733 3.960 0.038 0.000 0.285 121 G C -0.364 174.457 174.900 -0.131 0.000 1.176 121 G CA -0.215 44.931 45.100 0.077 0.000 0.852 121 G HN 1.772 nan 8.290 nan 0.000 0.530 122 A N 0.397 123.051 122.820 -0.278 0.000 2.427 122 A HA 0.804 5.147 4.320 0.038 0.000 0.298 122 A C 0.246 177.303 177.584 -0.878 0.000 1.036 122 A CA -0.046 51.670 52.037 -0.534 0.000 0.701 122 A CB 1.231 20.048 19.000 -0.304 0.000 1.250 122 A HN 1.972 nan 8.150 nan 0.000 0.412 123 A N 3.478 125.467 122.820 -1.386 0.000 2.531 123 A HA 0.496 4.838 4.320 0.038 0.000 0.236 123 A C -1.398 175.851 177.584 -0.558 0.000 1.062 123 A CA -0.586 50.541 52.037 -1.516 0.000 0.760 123 A CB -0.331 18.031 19.000 -1.064 0.000 0.995 123 A HN 0.567 nan 8.150 nan 0.000 0.501 124 P HA -0.124 nan 4.420 nan 0.000 0.221 124 P C 0.925 178.169 177.300 -0.092 0.000 1.145 124 P CA 0.852 63.880 63.100 -0.120 0.000 0.795 124 P CB 0.125 31.822 31.700 -0.005 0.000 0.775 125 I N -3.141 117.374 120.570 -0.091 0.000 3.793 125 I HA 0.077 4.269 4.170 0.038 0.000 0.315 125 I C 0.193 176.292 176.117 -0.031 0.000 1.275 125 I CA -0.648 60.626 61.300 -0.043 0.000 1.214 125 I CB -0.421 37.565 38.000 -0.023 0.000 1.018 125 I HN -0.175 nan 8.210 nan 0.000 0.439 126 Y N 0.704 120.895 120.300 -0.181 0.000 2.353 126 Y HA 0.347 4.921 4.550 0.039 0.000 0.340 126 Y C -0.075 175.767 175.900 -0.097 0.000 0.972 126 Y CA -0.849 57.153 58.100 -0.163 0.000 1.157 126 Y CB 0.183 38.484 38.460 -0.266 0.000 1.157 126 Y HN 0.205 nan 8.280 nan 0.000 0.495 127 H N 5.795 124.480 119.070 -0.641 0.000 2.742 127 H HA 0.332 4.911 4.556 0.038 0.000 0.302 127 H C -1.387 173.645 175.328 -0.494 0.000 1.069 127 H CA -0.288 55.517 56.048 -0.404 0.000 1.446 127 H CB 0.509 30.108 29.762 -0.272 0.000 1.462 127 H HN 0.719 nan 8.280 nan 0.000 0.499 128 L N 5.824 126.729 121.223 -0.530 0.000 2.313 128 L HA 0.099 4.462 4.340 0.038 0.000 0.282 128 L C 1.062 177.712 176.870 -0.368 0.000 1.092 128 L CA 0.116 54.814 54.840 -0.236 0.000 0.831 128 L CB 0.788 42.883 42.059 0.060 0.000 1.159 128 L HN 0.789 nan 8.230 nan 0.000 0.442 129 N N 2.035 120.636 118.700 -0.166 0.000 2.135 129 N HA -0.042 4.720 4.740 0.038 0.000 0.186 129 N C -0.017 175.515 175.510 0.036 0.000 1.027 129 N CA 0.807 53.822 53.050 -0.057 0.000 0.849 129 N CB 0.144 38.645 38.487 0.023 0.000 1.002 129 N HN 0.297 nan 8.380 nan 0.000 0.425 130 V N 3.023 123.010 119.914 0.121 0.000 2.318 130 V HA 0.228 4.371 4.120 0.038 0.000 0.271 130 V C 0.365 176.634 176.094 0.292 0.000 1.030 130 V CA -0.853 61.567 62.300 0.200 0.000 0.844 130 V CB 1.035 33.020 31.823 0.269 0.000 1.015 130 V HN 0.016 nan 8.190 nan 0.000 0.460 131 V N 3.948 124.000 119.914 0.229 0.000 3.083 131 V HA 0.426 4.569 4.120 0.038 0.000 0.306 131 V C -1.429 174.843 176.094 0.297 0.000 1.077 131 V CA -1.443 61.044 62.300 0.311 0.000 1.073 131 V CB 0.836 32.711 31.823 0.086 0.000 1.081 131 V HN 0.531 nan 8.190 nan 0.000 0.474 132 P HA -0.200 nan 4.420 nan 0.000 0.216 132 P C 2.083 179.427 177.300 0.074 0.000 1.157 132 P CA 2.662 65.892 63.100 0.217 0.000 0.880 132 P CB -0.068 31.842 31.700 0.350 0.000 0.791 133 S N -0.770 114.962 115.700 0.053 0.000 2.382 133 S HA -0.179 4.314 4.470 0.038 0.000 0.228 133 S C 2.138 176.737 174.600 -0.001 0.000 1.027 133 S CA 1.180 59.385 58.200 0.008 0.000 0.991 133 S CB -0.923 62.261 63.200 -0.027 0.000 0.823 133 S HN -0.011 nan 8.310 nan 0.000 0.469 134 R N -0.085 120.427 120.500 0.020 0.000 2.092 134 R HA -0.004 4.359 4.340 0.038 0.000 0.231 134 R C 2.173 178.489 176.300 0.027 0.000 1.119 134 R CA 1.284 57.399 56.100 0.026 0.000 0.970 134 R CB -0.796 29.536 30.300 0.053 0.000 0.864 134 R HN 0.545 nan 8.270 nan 0.000 0.440 135 Y N 0.876 121.097 120.300 -0.133 0.000 2.263 135 Y HA -0.088 4.484 4.550 0.037 0.000 0.292 135 Y C 2.354 178.134 175.900 -0.199 0.000 1.130 135 Y CA 1.737 59.696 58.100 -0.235 0.000 1.179 135 Y CB -0.160 37.922 38.460 -0.629 0.000 0.998 135 Y HN 0.005 nan 8.280 nan 0.000 0.532 136 R N 0.297 120.725 120.500 -0.120 0.000 2.096 136 R HA -0.199 4.164 4.340 0.038 0.000 0.240 136 R C 1.501 177.716 176.300 -0.141 0.000 1.139 136 R CA 2.295 58.320 56.100 -0.125 0.000 0.952 136 R CB -0.410 29.865 30.300 -0.041 0.000 0.854 136 R HN 0.348 nan 8.270 nan 0.000 0.436 137 D N -0.013 120.327 120.400 -0.100 0.000 2.149 137 D HA -0.150 4.513 4.640 0.038 0.000 0.201 137 D C 1.711 177.948 176.300 -0.105 0.000 0.972 137 D CA 0.949 54.900 54.000 -0.081 0.000 0.835 137 D CB -0.251 40.519 40.800 -0.049 0.000 0.966 137 D HN 0.429 nan 8.370 nan 0.000 0.476 138 E N 0.594 120.713 120.200 -0.136 0.000 2.049 138 E HA -0.182 4.191 4.350 0.038 0.000 0.198 138 E C 2.259 178.738 176.600 -0.200 0.000 1.007 138 E CA 0.860 57.167 56.400 -0.155 0.000 0.809 138 E CB -0.099 29.498 29.700 -0.172 0.000 0.749 138 E HN 0.201 nan 8.360 nan 0.000 0.450 139 L N 0.348 121.383 121.223 -0.313 0.000 2.017 139 L HA -0.200 4.162 4.340 0.038 0.000 0.208 139 L C 2.634 179.421 176.870 -0.138 0.000 1.073 139 L CA 0.962 55.649 54.840 -0.255 0.000 0.745 139 L CB -0.410 41.465 42.059 -0.307 0.000 0.894 139 L HN 0.257 nan 8.230 nan 0.000 0.432 140 I N 0.002 120.502 120.570 -0.116 0.000 2.208 140 I HA -0.250 3.943 4.170 0.038 0.000 0.245 140 I C 2.584 178.666 176.117 -0.058 0.000 1.097 140 I CA 1.547 62.804 61.300 -0.072 0.000 1.363 140 I CB -0.694 37.270 38.000 -0.060 0.000 1.051 140 I HN 0.279 nan 8.210 nan 0.000 0.413 141 G N 0.760 109.521 108.800 -0.064 0.000 2.433 141 G HA2 -0.224 3.759 3.960 0.038 0.000 0.216 141 G HA3 -0.224 3.759 3.960 0.038 0.000 0.216 141 G C 1.656 176.531 174.900 -0.042 0.000 1.186 141 G CA 0.535 45.607 45.100 -0.047 0.000 0.779 141 G HN 0.337 nan 8.290 nan 0.000 0.543 142 K N 0.030 120.399 120.400 -0.052 0.000 2.283 142 K HA 0.126 4.469 4.320 0.038 0.000 0.202 142 K C 2.299 178.880 176.600 -0.031 0.000 1.048 142 K CA 0.344 56.608 56.287 -0.038 0.000 0.948 142 K CB -0.161 32.314 32.500 -0.041 0.000 0.742 142 K HN 0.265 nan 8.250 nan 0.000 0.458 143 L N 0.390 121.591 121.223 -0.037 0.000 2.395 143 L HA -0.056 4.307 4.340 0.038 0.000 0.218 143 L C 1.651 178.509 176.870 -0.020 0.000 1.130 143 L CA 0.524 55.348 54.840 -0.027 0.000 0.826 143 L CB -0.781 41.260 42.059 -0.031 0.000 0.941 143 L HN 0.398 nan 8.230 nan 0.000 0.451 144 G N 0.588 109.374 108.800 -0.022 0.000 2.702 144 G HA2 -0.510 3.473 3.960 0.038 0.000 0.342 144 G HA3 -0.510 3.473 3.960 0.038 0.000 0.342 144 G C 1.102 175.992 174.900 -0.016 0.000 1.258 144 G CA 0.898 45.987 45.100 -0.018 0.000 0.990 144 G HN 0.446 nan 8.290 nan 0.000 0.548 145 A N -0.028 122.784 122.820 -0.013 0.000 2.067 145 A HA 0.517 4.860 4.320 0.038 0.000 0.217 145 A C 2.825 180.403 177.584 -0.010 0.000 1.156 145 A CA 2.123 54.153 52.037 -0.011 0.000 0.683 145 A CB -0.668 18.326 19.000 -0.010 0.000 0.808 145 A HN 2.034 nan 8.150 nan 0.000 0.455 146 A N 0.023 122.837 122.820 -0.010 0.000 2.070 146 A HA 0.174 4.516 4.320 0.038 0.000 0.220 146 A C 2.327 179.907 177.584 -0.007 0.000 1.159 146 A CA 1.665 53.698 52.037 -0.007 0.000 0.656 146 A CB -0.708 18.290 19.000 -0.004 0.000 0.800 146 A HN 0.958 nan 8.150 nan 0.000 0.453 147 A N -0.385 122.428 122.820 -0.013 0.000 1.972 147 A HA 0.108 4.451 4.320 0.038 0.000 0.219 147 A C 2.269 179.846 177.584 -0.012 0.000 1.169 147 A CA 1.672 53.699 52.037 -0.016 0.000 0.635 147 A CB -1.163 17.823 19.000 -0.023 0.000 0.810 147 A HN 0.766 nan 8.150 nan 0.000 0.446 148 G N -1.187 107.607 108.800 -0.010 0.000 2.679 148 G HA2 -0.061 3.922 3.960 0.038 0.000 0.212 148 G HA3 -0.061 3.922 3.960 0.038 0.000 0.212 148 G C 1.308 176.206 174.900 -0.003 0.000 1.137 148 G CA 0.586 45.682 45.100 -0.007 0.000 0.787 148 G HN 0.384 nan 8.290 nan 0.000 0.534 149 K N -0.016 120.384 120.400 0.000 0.000 2.358 149 K HA 0.226 4.569 4.320 0.038 0.000 0.197 149 K C -0.027 176.580 176.600 0.013 0.000 1.025 149 K CA 0.041 56.333 56.287 0.008 0.000 1.104 149 K CB 1.338 33.845 32.500 0.012 0.000 0.855 149 K HN 0.175 nan 8.250 nan 0.000 0.531 150 V N 2.157 122.073 119.914 0.004 0.000 2.384 150 V HA 0.225 4.368 4.120 0.038 0.000 0.287 150 V C -0.131 175.959 176.094 -0.006 0.000 1.020 150 V CA -0.685 61.616 62.300 0.002 0.000 0.850 150 V CB 1.659 33.481 31.823 -0.002 0.000 0.987 150 V HN 0.008 nan 8.190 nan 0.000 0.436 151 T N 6.895 121.443 114.554 -0.009 0.000 2.744 151 T HA 0.636 5.009 4.350 0.038 0.000 0.291 151 T C -0.320 174.364 174.700 -0.027 0.000 0.957 151 T CA -0.187 61.902 62.100 -0.018 0.000 1.002 151 T CB 0.630 69.484 68.868 -0.023 0.000 0.919 151 T HN 0.346 nan 8.240 nan 0.000 0.468 152 L N 4.260 125.470 121.223 -0.022 0.000 2.341 152 L HA 0.475 4.838 4.340 0.038 0.000 0.278 152 L C 0.196 177.059 176.870 -0.010 0.000 1.005 152 L CA -0.676 54.156 54.840 -0.014 0.000 0.818 152 L CB 1.441 43.498 42.059 -0.004 0.000 1.259 152 L HN 0.610 nan 8.230 nan 0.000 0.418 153 N N 2.373 121.055 118.700 -0.030 0.000 2.417 153 N HA 0.545 5.308 4.740 0.038 0.000 0.274 153 N C -1.359 174.274 175.510 0.205 0.000 0.987 153 N CA -0.543 52.524 53.050 0.029 0.000 0.912 153 N CB 2.647 41.009 38.487 -0.209 0.000 1.177 153 N HN 0.139 nan 8.380 nan 0.000 0.490 154 V N 1.491 121.583 119.914 0.297 0.000 2.540 154 V HA 0.832 4.975 4.120 0.038 0.000 0.302 154 V C -0.504 175.871 176.094 0.468 0.000 1.035 154 V CA -0.597 61.928 62.300 0.374 0.000 0.873 154 V CB 1.379 33.303 31.823 0.169 0.000 0.992 154 V HN 0.781 nan 8.190 nan 0.000 0.428 155 A N 3.336 126.489 122.820 0.556 0.000 2.520 155 A HA 0.917 5.260 4.320 0.038 0.000 0.298 155 A C -0.412 177.373 177.584 0.335 0.000 1.051 155 A CA -0.443 51.825 52.037 0.386 0.000 0.690 155 A CB 2.112 21.196 19.000 0.141 0.000 1.281 155 A HN 1.043 nan 8.150 nan 0.000 0.402 156 S N 0.500 116.361 115.700 0.268 0.000 2.532 156 S HA 0.858 5.351 4.470 0.038 0.000 0.301 156 S C -0.436 174.167 174.600 0.005 0.000 1.083 156 S CA -0.548 57.692 58.200 0.066 0.000 1.025 156 S CB 1.330 64.549 63.200 0.031 0.000 1.056 156 S HN 1.811 nan 8.310 nan 0.000 0.494 157 M N -0.338 119.245 119.600 -0.027 0.000 2.470 157 M HA 0.727 5.229 4.480 0.038 0.000 0.285 157 M C -1.433 174.911 176.300 0.072 0.000 1.213 157 M CA -0.392 54.940 55.300 0.054 0.000 0.901 157 M CB 1.548 34.257 32.600 0.181 0.000 1.718 157 M HN 0.403 nan 8.290 nan 0.000 0.469 158 T N 1.038 115.669 114.554 0.128 0.000 2.890 158 T HA 0.478 4.850 4.350 0.038 0.000 0.295 158 T C 0.813 175.632 174.700 0.198 0.000 0.993 158 T CA -0.128 62.073 62.100 0.168 0.000 0.979 158 T CB 1.355 70.272 68.868 0.081 0.000 0.967 158 T HN 0.933 nan 8.240 nan 0.000 0.441 159 T N -0.747 113.831 114.554 0.041 0.000 3.035 159 T HA 0.193 4.566 4.350 0.038 0.000 0.259 159 T C 0.874 175.606 174.700 0.054 0.000 1.078 159 T CA 0.109 62.119 62.100 -0.149 0.000 1.132 159 T CB 0.241 68.734 68.868 -0.625 0.000 0.900 159 T HN 0.466 nan 8.240 nan 0.000 0.480 160 S N -0.028 115.737 115.700 0.108 0.000 2.689 160 S HA 0.398 4.891 4.470 0.038 0.000 0.274 160 S C 0.312 175.022 174.600 0.183 0.000 1.176 160 S CA -0.894 57.384 58.200 0.131 0.000 1.014 160 S CB 1.778 65.035 63.200 0.095 0.000 1.071 160 S HN 0.304 nan 8.310 nan 0.000 0.478 161 K N 2.787 123.283 120.400 0.159 0.000 2.044 161 K HA -0.038 4.305 4.320 0.038 0.000 0.204 161 K C 1.447 178.142 176.600 0.158 0.000 1.049 161 K CA 1.748 58.128 56.287 0.155 0.000 0.945 161 K CB -0.490 32.072 32.500 0.105 0.000 0.724 161 K HN 0.676 nan 8.250 nan 0.000 0.440 162 T N 0.519 115.153 114.554 0.132 0.000 2.708 162 T HA -0.064 4.309 4.350 0.038 0.000 0.266 162 T C 1.614 176.414 174.700 0.168 0.000 1.037 162 T CA 1.724 63.899 62.100 0.125 0.000 1.146 162 T CB -0.083 68.841 68.868 0.094 0.000 0.865 162 T HN 0.157 nan 8.240 nan 0.000 0.435 163 S N 0.205 116.014 115.700 0.182 0.000 2.597 163 S HA 0.380 4.872 4.470 0.038 0.000 0.224 163 S C 0.354 175.144 174.600 0.316 0.000 0.955 163 S CA -0.211 58.149 58.200 0.267 0.000 0.933 163 S CB -0.297 63.006 63.200 0.171 0.000 0.788 163 S HN 0.443 nan 8.310 nan 0.000 0.488 164 L N 1.475 122.847 121.223 0.247 0.000 3.573 164 L HA -0.156 4.207 4.340 0.038 0.000 0.578 164 L C -0.059 176.729 176.870 -0.136 0.000 1.299 164 L CA -0.183 54.799 54.840 0.236 0.000 0.914 164 L CB -1.749 40.393 42.059 0.138 0.000 1.563 164 L HN 0.230 nan 8.230 nan 0.000 0.860 165 S N 0.237 115.927 115.700 -0.017 0.000 2.521 165 S HA 0.849 5.341 4.470 0.038 0.000 0.295 165 S C -0.874 173.709 174.600 -0.029 0.000 1.098 165 S CA -0.302 57.755 58.200 -0.239 0.000 0.999 165 S CB 1.385 64.541 63.200 -0.072 0.000 1.034 165 S HN 0.415 nan 8.310 nan 0.000 0.483 166 W N 2.509 123.796 121.300 -0.021 0.000 2.937 166 W HA 0.537 5.219 4.660 0.037 0.000 0.360 166 W C -1.156 175.345 176.519 -0.029 0.000 1.215 166 W CA -0.959 56.352 57.345 -0.057 0.000 1.183 166 W CB -0.106 29.332 29.460 -0.037 0.000 1.458 166 W HN 0.557 nan 8.180 nan 0.000 0.574 167 N N 0.671 119.512 118.700 0.234 0.000 2.513 167 N HA 0.078 4.841 4.740 0.038 0.000 0.268 167 N C 0.282 175.973 175.510 0.302 0.000 1.180 167 N CA 0.526 53.671 53.050 0.159 0.000 0.948 167 N CB 0.495 39.023 38.487 0.069 0.000 1.083 167 N HN 0.675 nan 8.380 nan 0.000 0.455 168 H N 1.133 120.260 119.070 0.095 0.000 3.440 168 H HA 0.127 4.706 4.556 0.038 0.000 0.259 168 H C -0.313 175.065 175.328 0.083 0.000 1.120 168 H CA -0.017 56.095 56.048 0.107 0.000 1.191 168 H CB 0.267 30.053 29.762 0.039 0.000 1.537 168 H HN 0.626 nan 8.280 nan 0.000 0.547 169 S N 1.527 117.306 115.700 0.131 0.000 2.563 169 S HA 0.083 4.576 4.470 0.038 0.000 0.284 169 S C -0.125 174.480 174.600 0.008 0.000 1.331 169 S CA -0.239 58.029 58.200 0.112 0.000 1.047 169 S CB 1.083 64.438 63.200 0.258 0.000 0.859 169 S HN 0.300 nan 8.310 nan 0.000 0.514 170 K N 2.258 122.651 120.400 -0.012 0.000 2.540 170 K HA 0.514 4.857 4.320 0.038 0.000 0.218 170 K C -1.144 175.458 176.600 0.004 0.000 1.017 170 K CA 0.076 56.332 56.287 -0.051 0.000 1.029 170 K CB 0.985 33.413 32.500 -0.120 0.000 1.348 170 K HN 0.556 nan 8.250 nan 0.000 0.508 171 L N 2.536 123.773 121.223 0.023 0.000 2.362 171 L HA 0.570 4.933 4.340 0.038 0.000 0.271 171 L C -1.322 175.578 176.870 0.049 0.000 1.002 171 L CA -1.308 53.548 54.840 0.027 0.000 0.818 171 L CB 1.668 43.713 42.059 -0.023 0.000 1.298 171 L HN 0.339 nan 8.230 nan 0.000 0.420 172 L N 4.626 125.886 121.223 0.061 0.000 2.427 172 L HA 0.558 4.921 4.340 0.038 0.000 0.264 172 L C -1.231 175.680 176.870 0.068 0.000 0.989 172 L CA -0.344 54.538 54.840 0.070 0.000 0.865 172 L CB 1.559 43.665 42.059 0.078 0.000 1.209 172 L HN 0.211 nan 8.230 nan 0.000 0.430 173 V N 5.403 125.350 119.914 0.054 0.000 2.417 173 V HA 0.584 4.727 4.120 0.038 0.000 0.291 173 V C -0.156 175.960 176.094 0.036 0.000 1.024 173 V CA -0.705 61.623 62.300 0.047 0.000 0.861 173 V CB 1.716 33.558 31.823 0.031 0.000 0.985 173 V HN 0.450 nan 8.190 nan 0.000 0.436 174 V N 3.854 123.786 119.914 0.032 0.000 2.417 174 V HA 0.428 4.571 4.120 0.038 0.000 0.291 174 V C 0.369 176.466 176.094 0.005 0.000 1.024 174 V CA -0.413 61.895 62.300 0.013 0.000 0.861 174 V CB 1.257 33.084 31.823 0.007 0.000 0.985 174 V HN 0.984 nan 8.190 nan 0.000 0.436 175 D N 3.743 124.144 120.400 0.001 0.000 2.955 175 D HA -0.209 4.454 4.640 0.038 0.000 0.226 175 D C 1.407 177.724 176.300 0.029 0.000 1.178 175 D CA 1.712 55.721 54.000 0.015 0.000 0.808 175 D CB -1.121 39.663 40.800 -0.027 0.000 1.099 175 D HN 1.429 nan 8.370 nan 0.000 0.421 176 G N 0.480 109.295 108.800 0.026 0.000 2.258 176 G HA2 -0.402 3.580 3.960 0.038 0.000 0.274 176 G HA3 -0.402 3.580 3.960 0.038 0.000 0.274 176 G C 0.894 175.812 174.900 0.030 0.000 1.021 176 G CA 1.572 46.689 45.100 0.029 0.000 0.798 176 G HN 0.720 nan 8.290 nan 0.000 0.507 177 K N -1.512 118.903 120.400 0.025 0.000 2.544 177 K HA 0.235 4.578 4.320 0.038 0.000 0.213 177 K C 0.753 177.365 176.600 0.020 0.000 1.392 177 K CA 0.829 57.128 56.287 0.019 0.000 0.980 177 K CB 0.519 33.025 32.500 0.009 0.000 1.177 177 K HN 0.652 nan 8.250 nan 0.000 0.570 178 T N -0.564 114.007 114.554 0.028 0.000 2.887 178 T HA 0.821 5.194 4.350 0.038 0.000 0.288 178 T C -0.687 174.054 174.700 0.069 0.000 1.021 178 T CA -0.759 61.365 62.100 0.040 0.000 1.000 178 T CB 2.028 70.917 68.868 0.035 0.000 1.034 178 T HN 0.264 nan 8.240 nan 0.000 0.467 179 A N 2.380 125.258 122.820 0.097 0.000 2.455 179 A HA 0.770 5.112 4.320 0.038 0.000 0.300 179 A C -1.028 176.661 177.584 0.175 0.000 1.040 179 A CA -0.948 51.181 52.037 0.154 0.000 0.697 179 A CB 1.108 20.265 19.000 0.261 0.000 1.265 179 A HN 0.913 nan 8.150 nan 0.000 0.407 180 I N 1.513 122.179 120.570 0.161 0.000 2.436 180 I HA 0.632 4.825 4.170 0.038 0.000 0.289 180 I C 0.150 176.361 176.117 0.157 0.000 1.010 180 I CA -0.220 61.175 61.300 0.159 0.000 1.098 180 I CB 2.333 40.402 38.000 0.115 0.000 1.266 180 I HN 0.676 nan 8.210 nan 0.000 0.434 181 T N 3.178 117.842 114.554 0.182 0.000 2.816 181 T HA 0.903 5.275 4.350 0.038 0.000 0.299 181 T C -0.428 174.324 174.700 0.087 0.000 1.230 181 T CA 0.123 62.297 62.100 0.124 0.000 1.007 181 T CB 1.998 70.950 68.868 0.140 0.000 1.289 181 T HN 0.996 nan 8.240 nan 0.000 0.508 182 G N 0.208 109.029 108.800 0.034 0.000 2.403 182 G HA2 0.351 4.333 3.960 0.038 0.000 0.223 182 G HA3 0.351 4.333 3.960 0.038 0.000 0.223 182 G C 0.559 175.464 174.900 0.008 0.000 1.287 182 G CA 0.362 45.470 45.100 0.015 0.000 0.982 182 G HN 1.206 nan 8.290 nan 0.000 0.471 183 G N -0.523 108.299 108.800 0.036 0.000 2.838 183 G HA2 0.387 4.370 3.960 0.038 0.000 0.210 183 G HA3 0.387 4.370 3.960 0.038 0.000 0.210 183 G C 0.741 175.711 174.900 0.117 0.000 1.153 183 G CA 0.119 45.262 45.100 0.072 0.000 0.778 183 G HN 0.629 nan 8.290 nan 0.000 0.539 184 I N 2.665 123.206 120.570 -0.049 0.000 2.494 184 I HA 0.053 4.246 4.170 0.038 0.000 0.289 184 I C -0.219 175.557 176.117 -0.569 0.000 1.106 184 I CA -0.526 60.560 61.300 -0.357 0.000 1.369 184 I CB 0.227 37.988 38.000 -0.398 0.000 1.410 184 I HN -0.031 nan 8.210 nan 0.000 0.523 185 N N 4.756 123.012 118.700 -0.741 0.000 2.467 185 N HA 0.146 4.908 4.740 0.038 0.000 0.262 185 N C 0.661 175.443 175.510 -1.213 0.000 1.234 185 N CA -0.110 52.334 53.050 -1.010 0.000 0.952 185 N CB 1.375 38.803 38.487 -1.765 0.000 1.158 185 N HN 0.716 nan 8.380 nan 0.000 0.463 186 G N 0.762 108.972 108.800 -0.983 0.000 3.541 186 G HA2 0.130 4.113 3.960 0.038 0.000 0.253 186 G HA3 0.130 4.113 3.960 0.038 0.000 0.253 186 G C -0.824 173.830 174.900 -0.410 0.000 1.017 186 G CA -0.377 43.921 45.100 -1.337 0.000 1.832 186 G HN 0.421 nan 8.290 nan 0.000 0.649 187 W N 1.619 122.736 121.300 -0.304 0.000 2.282 187 W HA 0.322 5.006 4.660 0.040 0.000 0.322 187 W C 1.263 178.032 176.519 0.417 0.000 1.011 187 W CA -2.214 55.225 57.345 0.156 0.000 1.392 187 W CB 0.779 30.334 29.460 0.158 0.000 1.215 187 W HN 0.484 nan 8.180 nan 0.000 0.394 188 K N 0.306 121.064 120.400 0.596 0.000 2.103 188 K HA -0.204 4.138 4.320 0.038 0.000 0.207 188 K C 0.529 177.306 176.600 0.296 0.000 1.048 188 K CA 1.761 58.323 56.287 0.458 0.000 0.930 188 K CB 0.134 32.807 32.500 0.290 0.000 0.716 188 K HN 0.098 nan 8.250 nan 0.000 0.444 189 D N 1.256 121.799 120.400 0.238 0.000 2.224 189 D HA -0.085 4.578 4.640 0.038 0.000 0.205 189 D C 0.936 177.287 176.300 0.086 0.000 0.965 189 D CA 1.089 55.159 54.000 0.117 0.000 0.852 189 D CB -0.043 40.804 40.800 0.079 0.000 0.947 189 D HN 0.376 nan 8.370 nan 0.000 0.494 190 D N -1.126 119.380 120.400 0.177 0.000 2.277 190 D HA -0.013 4.650 4.640 0.038 0.000 0.209 190 D C 1.300 177.500 176.300 -0.167 0.000 0.970 190 D CA 0.625 54.618 54.000 -0.013 0.000 0.874 190 D CB 0.008 40.803 40.800 -0.009 0.000 0.982 190 D HN 0.281 nan 8.370 nan 0.000 0.504 191 Y N -0.663 119.737 120.300 0.166 0.000 2.558 191 Y HA 0.327 4.901 4.550 0.039 0.000 0.273 191 Y C 1.741 177.670 175.900 0.049 0.000 1.100 191 Y CA 0.204 58.388 58.100 0.139 0.000 1.276 191 Y CB 0.551 39.210 38.460 0.331 0.000 1.196 191 Y HN -0.137 nan 8.280 nan 0.000 0.527 192 L N -1.239 120.098 121.223 0.191 0.000 2.590 192 L HA 0.168 4.531 4.340 0.038 0.000 0.181 192 L C -0.097 176.753 176.870 -0.034 0.000 1.134 192 L CA 0.197 55.061 54.840 0.041 0.000 0.850 192 L CB 0.048 42.099 42.059 -0.013 0.000 1.172 192 L HN -0.170 nan 8.230 nan 0.000 0.498 193 D N 1.579 121.968 120.400 -0.018 0.000 2.631 193 D HA 0.231 4.894 4.640 0.038 0.000 0.227 193 D C -0.155 176.070 176.300 -0.125 0.000 1.146 193 D CA 0.502 54.467 54.000 -0.058 0.000 1.009 193 D CB 0.723 41.514 40.800 -0.015 0.000 1.057 193 D HN 0.026 nan 8.370 nan 0.000 0.509 194 T N -1.670 112.757 114.554 -0.211 0.000 2.886 194 T HA 0.461 4.834 4.350 0.038 0.000 0.330 194 T C -0.185 174.267 174.700 -0.413 0.000 1.488 194 T CA -0.446 61.426 62.100 -0.381 0.000 1.054 194 T CB 1.379 69.920 68.868 -0.544 0.000 1.348 194 T HN 0.002 nan 8.240 nan 0.000 0.489 195 A N 2.098 124.660 122.820 -0.430 0.000 2.275 195 A HA 0.256 4.599 4.320 0.038 0.000 0.212 195 A C 0.855 178.104 177.584 -0.558 0.000 1.201 195 A CA 0.373 52.205 52.037 -0.341 0.000 0.843 195 A CB -0.266 18.651 19.000 -0.139 0.000 0.873 195 A HN 0.847 nan 8.150 nan 0.000 0.492 196 H N -0.780 117.925 119.070 -0.609 0.000 2.471 196 H HA 0.311 4.890 4.556 0.038 0.000 0.234 196 H C -3.071 171.823 175.328 -0.723 0.000 1.388 196 H CA -2.206 53.226 56.048 -1.027 0.000 1.198 196 H CB -0.751 28.771 29.762 -0.399 0.000 1.714 196 H HN 0.167 nan 8.280 nan 0.000 0.536 197 P HA -0.048 nan 4.420 nan 0.000 0.266 197 P C 0.793 178.011 177.300 -0.137 0.000 1.195 197 P CA -0.148 62.735 63.100 -0.361 0.000 0.768 197 P CB 1.793 33.314 31.700 -0.299 0.000 0.838 198 V N 3.204 122.976 119.914 -0.237 0.000 2.655 198 V HA -0.005 4.138 4.120 0.038 0.000 0.300 198 V C 0.984 177.038 176.094 -0.067 0.000 1.044 198 V CA 0.631 62.743 62.300 -0.313 0.000 1.095 198 V CB 0.264 31.582 31.823 -0.843 0.000 0.952 198 V HN 0.573 nan 8.190 nan 0.000 0.485 199 S N 3.917 119.589 115.700 -0.048 0.000 2.508 199 S HA 0.575 5.068 4.470 0.038 0.000 0.284 199 S C -0.404 174.220 174.600 0.039 0.000 1.192 199 S CA -0.489 57.701 58.200 -0.017 0.000 1.070 199 S CB 1.092 64.171 63.200 -0.203 0.000 1.004 199 S HN 0.880 nan 8.310 nan 0.000 0.493 200 D N 0.294 120.858 120.400 0.274 0.000 2.671 200 D HA 0.502 5.165 4.640 0.038 0.000 0.273 200 D C -1.789 174.692 176.300 0.302 0.000 1.264 200 D CA -0.309 53.945 54.000 0.423 0.000 0.788 200 D CB 2.049 43.149 40.800 0.499 0.000 1.324 200 D HN 0.371 nan 8.370 nan 0.000 0.424 201 V N 1.341 121.362 119.914 0.177 0.000 2.851 201 V HA 0.573 4.716 4.120 0.038 0.000 0.307 201 V C -1.607 174.507 176.094 0.034 0.000 1.129 201 V CA -0.444 61.875 62.300 0.032 0.000 0.932 201 V CB 2.067 33.788 31.823 -0.169 0.000 1.024 201 V HN 0.548 nan 8.190 nan 0.000 0.426 202 D N 4.690 125.114 120.400 0.040 0.000 2.497 202 D HA 0.774 5.437 4.640 0.038 0.000 0.243 202 D C -0.413 175.950 176.300 0.105 0.000 1.039 202 D CA -0.296 53.743 54.000 0.065 0.000 1.052 202 D CB 1.965 42.804 40.800 0.064 0.000 1.344 202 D HN 0.798 nan 8.370 nan 0.000 0.553 203 M N -0.937 118.768 119.600 0.176 0.000 2.550 203 M HA 0.873 5.376 4.480 0.038 0.000 0.292 203 M C -1.579 174.875 176.300 0.256 0.000 1.221 203 M CA -1.124 54.349 55.300 0.288 0.000 0.873 203 M CB 2.534 35.394 32.600 0.433 0.000 1.727 203 M HN 0.235 nan 8.290 nan 0.000 0.459 204 A N 2.817 125.806 122.820 0.282 0.000 2.342 204 A HA 0.950 5.293 4.320 0.038 0.000 0.323 204 A C -1.253 176.416 177.584 0.142 0.000 1.125 204 A CA -0.784 51.371 52.037 0.197 0.000 0.785 204 A CB 1.411 20.516 19.000 0.175 0.000 1.221 204 A HN 1.095 nan 8.150 nan 0.000 0.463 205 L N 1.769 123.027 121.223 0.058 0.000 2.469 205 L HA 0.904 5.267 4.340 0.038 0.000 0.256 205 L C -0.622 176.230 176.870 -0.031 0.000 1.006 205 L CA -0.368 54.443 54.840 -0.049 0.000 0.832 205 L CB 2.329 44.259 42.059 -0.215 0.000 1.421 205 L HN 0.935 nan 8.230 nan 0.000 0.410 206 S N 1.166 116.832 115.700 -0.057 0.000 2.595 206 S HA 1.054 5.547 4.470 0.038 0.000 0.281 206 S C -0.312 174.257 174.600 -0.053 0.000 1.117 206 S CA -0.031 58.150 58.200 -0.033 0.000 0.873 206 S CB 1.786 64.978 63.200 -0.013 0.000 1.108 206 S HN 1.945 nan 8.310 nan 0.000 0.477 207 G N 1.290 110.072 108.800 -0.030 0.000 2.343 207 G HA2 0.186 4.169 3.960 0.038 0.000 0.465 207 G HA3 0.186 4.169 3.960 0.038 0.000 0.465 207 G C -2.884 172.006 174.900 -0.018 0.000 1.282 207 G CA -0.225 44.854 45.100 -0.035 0.000 0.996 207 G HN 0.531 nan 8.290 nan 0.000 0.521 208 P HA -0.025 nan 4.420 nan 0.000 0.217 208 P C 2.102 179.422 177.300 0.033 0.000 1.148 208 P CA 2.742 65.845 63.100 0.004 0.000 0.828 208 P CB -0.040 31.657 31.700 -0.006 0.000 0.783 209 A N -0.344 122.486 122.820 0.016 0.000 2.125 209 A HA -0.036 4.306 4.320 0.038 0.000 0.219 209 A C 2.215 179.929 177.584 0.215 0.000 1.156 209 A CA 1.709 53.804 52.037 0.097 0.000 0.671 209 A CB -1.303 17.658 19.000 -0.064 0.000 0.794 209 A HN 0.223 nan 8.150 nan 0.000 0.459 210 A N -0.478 122.414 122.820 0.119 0.000 1.970 210 A HA -0.021 4.322 4.320 0.038 0.000 0.216 210 A C 2.175 179.826 177.584 0.113 0.000 1.170 210 A CA 1.191 53.318 52.037 0.150 0.000 0.645 210 A CB -0.386 18.666 19.000 0.088 0.000 0.816 210 A HN 0.512 nan 8.150 nan 0.000 0.447 211 R N 0.128 120.678 120.500 0.082 0.000 2.092 211 R HA -0.095 4.268 4.340 0.038 0.000 0.231 211 R C 2.176 178.523 176.300 0.078 0.000 1.119 211 R CA 1.603 57.740 56.100 0.061 0.000 0.970 211 R CB -0.227 30.098 30.300 0.040 0.000 0.864 211 R HN 0.501 nan 8.270 nan 0.000 0.440 212 S N 0.699 116.473 115.700 0.124 0.000 2.365 212 S HA -0.208 4.285 4.470 0.038 0.000 0.225 212 S C 2.030 176.717 174.600 0.145 0.000 1.039 212 S CA 1.384 59.681 58.200 0.162 0.000 1.033 212 S CB -0.313 63.038 63.200 0.252 0.000 0.887 212 S HN 0.558 nan 8.310 nan 0.000 0.447 213 A N 1.616 124.488 122.820 0.088 0.000 1.902 213 A HA 0.062 4.404 4.320 0.038 0.000 0.217 213 A C 2.376 179.887 177.584 -0.122 0.000 1.181 213 A CA 1.766 53.639 52.037 -0.273 0.000 0.623 213 A CB -1.508 17.340 19.000 -0.254 0.000 0.818 213 A HN 0.527 nan 8.150 nan 0.000 0.443 214 G N -0.378 108.415 108.800 -0.012 0.000 2.440 214 G HA2 -0.270 3.713 3.960 0.038 0.000 0.218 214 G HA3 -0.270 3.713 3.960 0.038 0.000 0.218 214 G C 1.656 176.574 174.900 0.031 0.000 1.154 214 G CA 1.435 46.542 45.100 0.012 0.000 0.767 214 G HN 0.502 nan 8.290 nan 0.000 0.552 215 K N -0.539 119.890 120.400 0.050 0.000 2.063 215 K HA -0.099 4.243 4.320 0.038 0.000 0.208 215 K C 2.086 178.738 176.600 0.086 0.000 1.048 215 K CA 1.173 57.497 56.287 0.062 0.000 0.928 215 K CB -0.577 31.959 32.500 0.061 0.000 0.713 215 K HN 0.425 nan 8.250 nan 0.000 0.442 216 Y N 0.876 121.158 120.300 -0.030 0.000 2.128 216 Y HA -0.204 4.369 4.550 0.038 0.000 0.284 216 Y C 1.539 177.433 175.900 -0.009 0.000 1.154 216 Y CA 1.590 59.674 58.100 -0.026 0.000 1.149 216 Y CB -0.189 38.207 38.460 -0.106 0.000 0.976 216 Y HN -0.035 nan 8.280 nan 0.000 0.505 217 L N -0.263 120.911 121.223 -0.080 0.000 2.093 217 L HA -0.204 4.159 4.340 0.038 0.000 0.208 217 L C 2.126 179.060 176.870 0.107 0.000 1.085 217 L CA 1.403 56.227 54.840 -0.027 0.000 0.755 217 L CB -0.634 41.492 42.059 0.111 0.000 0.904 217 L HN 0.159 nan 8.230 nan 0.000 0.435 218 D N -0.342 120.105 120.400 0.078 0.000 2.133 218 D HA -0.179 4.484 4.640 0.038 0.000 0.195 218 D C 2.156 178.518 176.300 0.103 0.000 0.997 218 D CA 1.780 55.844 54.000 0.108 0.000 0.840 218 D CB -0.200 40.634 40.800 0.057 0.000 0.947 218 D HN 0.235 nan 8.370 nan 0.000 0.452 219 T N 0.832 115.393 114.554 0.011 0.000 2.684 219 T HA -0.106 4.266 4.350 0.038 0.000 0.267 219 T C 2.158 176.848 174.700 -0.017 0.000 1.036 219 T CA 0.724 62.818 62.100 -0.010 0.000 1.148 219 T CB -0.297 68.531 68.868 -0.066 0.000 0.863 219 T HN 0.160 nan 8.240 nan 0.000 0.436 220 L N -1.363 119.775 121.223 -0.141 0.000 2.093 220 L HA -0.042 4.321 4.340 0.038 0.000 0.208 220 L C 2.426 179.288 176.870 -0.014 0.000 1.085 220 L CA 1.324 56.081 54.840 -0.138 0.000 0.755 220 L CB -0.573 41.300 42.059 -0.309 0.000 0.904 220 L HN 0.353 nan 8.230 nan 0.000 0.435 221 W N 0.855 122.174 121.300 0.032 0.000 2.467 221 W HA -0.157 4.526 4.660 0.037 0.000 0.275 221 W C 2.307 178.871 176.519 0.074 0.000 1.239 221 W CA 1.203 58.589 57.345 0.069 0.000 1.266 221 W CB -0.220 29.262 29.460 0.037 0.000 1.112 221 W HN 0.264 nan 8.180 nan 0.000 0.576 222 D N -0.849 119.709 120.400 0.265 0.000 2.092 222 D HA -0.305 4.358 4.640 0.038 0.000 0.193 222 D C 1.865 178.258 176.300 0.155 0.000 0.994 222 D CA 1.890 55.997 54.000 0.179 0.000 0.828 222 D CB -0.600 40.282 40.800 0.137 0.000 0.963 222 D HN 0.169 nan 8.370 nan 0.000 0.450 223 W N 0.657 121.959 121.300 0.003 0.000 2.358 223 W HA -0.153 4.530 4.660 0.038 0.000 0.303 223 W C 2.369 178.868 176.519 -0.033 0.000 1.208 223 W CA 2.363 59.695 57.345 -0.021 0.000 1.274 223 W CB -0.613 28.816 29.460 -0.051 0.000 1.138 223 W HN -0.089 nan 8.180 nan 0.000 0.515 224 T N 0.027 114.642 114.554 0.102 0.000 2.737 224 T HA -0.264 4.109 4.350 0.038 0.000 0.265 224 T C 1.792 176.408 174.700 -0.141 0.000 1.038 224 T CA 1.842 63.869 62.100 -0.121 0.000 1.144 224 T CB -1.080 67.605 68.868 -0.305 0.000 0.866 224 T HN 0.220 nan 8.240 nan 0.000 0.434 225 c N 1.370 120.004 118.600 0.056 0.000 2.398 225 c HA -0.072 4.520 4.570 0.038 0.000 0.276 225 c C 2.899 176.958 174.090 -0.053 0.000 1.222 225 c CA 0.626 57.003 56.329 0.079 0.000 1.746 225 c CB -1.048 41.559 42.510 0.162 0.000 2.039 225 c HN 0.534 nan 8.230 nan 0.000 0.470 226 R N 0.769 121.195 120.500 -0.123 0.000 2.096 226 R HA -0.100 4.263 4.340 0.038 0.000 0.235 226 R C 1.338 177.464 176.300 -0.289 0.000 1.127 226 R CA 1.631 57.625 56.100 -0.177 0.000 0.968 226 R CB -0.374 29.828 30.300 -0.163 0.000 0.861 226 R HN 0.617 nan 8.270 nan 0.000 0.440 227 N N -0.069 118.313 118.700 -0.531 0.000 2.336 227 N HA 0.061 4.824 4.740 0.038 0.000 0.189 227 N C 0.798 176.115 175.510 -0.323 0.000 1.113 227 N CA 0.282 52.985 53.050 -0.580 0.000 0.858 227 N CB 0.611 38.386 38.487 -1.186 0.000 0.970 227 N HN 0.170 nan 8.380 nan 0.000 0.471 228 A N 0.227 122.929 122.820 -0.197 0.000 2.216 228 A HA -0.088 4.255 4.320 0.038 0.000 0.214 228 A C 2.022 179.593 177.584 -0.023 0.000 1.160 228 A CA 1.084 53.088 52.037 -0.056 0.000 0.725 228 A CB -0.555 18.451 19.000 0.010 0.000 0.784 228 A HN 0.366 nan 8.150 nan 0.000 0.472 229 S N -0.929 114.737 115.700 -0.057 0.000 2.522 229 S HA -0.024 4.469 4.470 0.038 0.000 0.227 229 S C 0.382 174.977 174.600 -0.008 0.000 0.986 229 S CA 0.600 58.786 58.200 -0.024 0.000 0.929 229 S CB -0.100 63.081 63.200 -0.032 0.000 0.769 229 S HN 0.414 nan 8.310 nan 0.000 0.529 230 D N 2.010 122.396 120.400 -0.024 0.000 2.464 230 D HA 0.417 5.079 4.640 0.038 0.000 0.243 230 D C -2.292 174.040 176.300 0.053 0.000 1.104 230 D CA -2.529 51.477 54.000 0.010 0.000 0.883 230 D CB 1.763 42.557 40.800 -0.009 0.000 1.050 230 D HN -0.022 nan 8.370 nan 0.000 0.524 231 P HA -0.003 nan 4.420 nan 0.000 0.226 231 P C 0.967 178.382 177.300 0.192 0.000 1.153 231 P CA 0.512 63.764 63.100 0.253 0.000 0.777 231 P CB 0.330 32.207 31.700 0.296 0.000 0.794 232 A N -0.076 122.803 122.820 0.098 0.000 2.015 232 A HA -0.162 4.181 4.320 0.038 0.000 0.219 232 A C 2.043 179.605 177.584 -0.036 0.000 1.163 232 A CA 1.478 53.533 52.037 0.029 0.000 0.646 232 A CB -0.647 18.383 19.000 0.051 0.000 0.806 232 A HN 0.175 nan 8.150 nan 0.000 0.448 233 K N -1.551 118.852 120.400 0.005 0.000 2.190 233 K HA 0.270 4.613 4.320 0.038 0.000 0.202 233 K C -0.452 176.156 176.600 0.014 0.000 1.045 233 K CA 0.558 56.880 56.287 0.058 0.000 0.976 233 K CB 0.402 32.981 32.500 0.131 0.000 0.849 233 K HN 0.193 nan 8.250 nan 0.000 0.468 234 V N 1.485 121.388 119.914 -0.018 0.000 2.577 234 V HA 0.239 4.382 4.120 0.038 0.000 0.303 234 V C -1.497 174.703 176.094 0.177 0.000 1.042 234 V CA -0.840 61.473 62.300 0.021 0.000 0.872 234 V CB 1.773 33.575 31.823 -0.034 0.000 0.998 234 V HN 0.193 nan 8.190 nan 0.000 0.423 235 W N 5.509 126.847 121.300 0.065 0.000 2.429 235 W HA 0.736 5.419 4.660 0.038 0.000 0.314 235 W C -0.584 176.002 176.519 0.111 0.000 1.062 235 W CA -1.224 56.170 57.345 0.081 0.000 1.211 235 W CB 1.578 31.095 29.460 0.096 0.000 1.305 235 W HN 0.383 nan 8.180 nan 0.000 0.476 236 L N 3.271 124.685 121.223 0.318 0.000 2.385 236 L HA 0.881 5.244 4.340 0.038 0.000 0.273 236 L C -0.827 176.153 176.870 0.183 0.000 0.990 236 L CA -0.506 54.485 54.840 0.251 0.000 0.821 236 L CB 1.716 43.900 42.059 0.209 0.000 1.279 236 L HN 0.396 nan 8.230 nan 0.000 0.412 237 A N 2.597 125.528 122.820 0.186 0.000 2.359 237 A HA 0.782 5.125 4.320 0.038 0.000 0.303 237 A C -0.458 177.192 177.584 0.110 0.000 1.066 237 A CA 0.019 52.124 52.037 0.113 0.000 0.730 237 A CB 1.308 20.358 19.000 0.084 0.000 1.211 237 A HN 0.792 nan 8.150 nan 0.000 0.439 238 T N -0.575 114.023 114.554 0.073 0.000 2.942 238 T HA 0.739 5.112 4.350 0.038 0.000 0.289 238 T C 0.170 174.884 174.700 0.023 0.000 1.044 238 T CA -0.038 62.092 62.100 0.051 0.000 1.023 238 T CB 1.394 70.289 68.868 0.046 0.000 1.123 238 T HN 1.443 nan 8.240 nan 0.000 0.512 239 S N 1.989 117.694 115.700 0.009 0.000 2.513 239 S HA 0.330 4.823 4.470 0.038 0.000 0.276 239 S C 0.081 174.679 174.600 -0.003 0.000 1.254 239 S CA -0.767 57.431 58.200 -0.003 0.000 1.053 239 S CB -0.253 62.941 63.200 -0.011 0.000 0.958 239 S HN 0.841 nan 8.310 nan 0.000 0.491 240 N N 1.772 120.469 118.700 -0.004 0.000 2.738 240 N HA -0.189 4.574 4.740 0.038 0.000 0.249 240 N C 0.988 176.497 175.510 -0.002 0.000 1.047 240 N CA 1.279 54.326 53.050 -0.005 0.000 0.707 240 N CB -1.693 36.790 38.487 -0.007 0.000 0.937 240 N HN 1.658 nan 8.380 nan 0.000 0.545 241 G N -1.896 106.904 108.800 0.001 0.000 2.212 241 G HA2 -0.229 3.754 3.960 0.038 0.000 0.266 241 G HA3 -0.229 3.754 3.960 0.038 0.000 0.266 241 G C 0.378 175.280 174.900 0.003 0.000 0.978 241 G CA 0.898 46.000 45.100 0.002 0.000 0.632 241 G HN 1.371 nan 8.290 nan 0.000 0.537 242 A N 0.552 123.372 122.820 0.001 0.000 2.567 242 A HA 0.573 4.915 4.320 0.038 0.000 0.240 242 A C 1.115 178.701 177.584 0.003 0.000 1.053 242 A CA 1.165 53.200 52.037 -0.003 0.000 0.755 242 A CB 0.184 19.177 19.000 -0.011 0.000 0.978 242 A HN 1.212 nan 8.150 nan 0.000 0.507 243 S N 0.325 116.025 115.700 0.000 0.000 2.569 243 S HA 0.100 4.592 4.470 0.038 0.000 0.274 243 S C 0.661 175.268 174.600 0.012 0.000 1.353 243 S CA -0.281 57.925 58.200 0.009 0.000 1.023 243 S CB 0.266 63.467 63.200 0.002 0.000 0.876 243 S HN 0.946 nan 8.310 nan 0.000 0.540 244 c N 3.379 122.003 118.600 0.041 0.000 2.653 244 c HA 0.265 4.858 4.570 0.038 0.000 0.421 244 c C 0.408 174.512 174.090 0.023 0.000 1.334 244 c CA -0.158 56.212 56.329 0.069 0.000 1.885 244 c CB -1.311 41.282 42.510 0.139 0.000 2.645 244 c HN 0.737 nan 8.230 nan 0.000 0.601 245 M N 9.100 128.669 119.600 -0.052 0.000 2.480 245 M HA 0.236 4.739 4.480 0.038 0.000 0.320 245 M C -1.389 174.872 176.300 -0.064 0.000 1.141 245 M CA -1.368 53.874 55.300 -0.097 0.000 1.102 245 M CB 1.141 33.628 32.600 -0.189 0.000 1.249 245 M HN 0.581 nan 8.290 nan 0.000 0.446 246 P HA -0.089 nan 4.420 nan 0.000 0.220 246 P C 0.532 177.882 177.300 0.084 0.000 1.148 246 P CA 1.221 64.405 63.100 0.140 0.000 0.803 246 P CB 0.196 31.965 31.700 0.115 0.000 0.782 247 S N -2.636 113.074 115.700 0.017 0.000 2.751 247 S HA 0.277 4.770 4.470 0.038 0.000 0.247 247 S C 1.299 175.881 174.600 -0.030 0.000 1.103 247 S CA -0.615 57.589 58.200 0.006 0.000 1.090 247 S CB -0.773 62.436 63.200 0.014 0.000 0.928 247 S HN -0.142 nan 8.310 nan 0.000 0.502 248 M N 1.753 121.310 119.600 -0.071 0.000 2.089 248 M HA -0.193 4.309 4.480 0.038 0.000 0.257 248 M C 1.844 178.110 176.300 -0.056 0.000 1.071 248 M CA 2.024 57.271 55.300 -0.089 0.000 1.096 248 M CB -0.184 32.323 32.600 -0.156 0.000 1.330 248 M HN 0.456 nan 8.290 nan 0.000 0.403 249 E N -0.437 119.740 120.200 -0.040 0.000 2.046 249 E HA -0.223 4.150 4.350 0.038 0.000 0.190 249 E C 1.918 178.512 176.600 -0.011 0.000 0.982 249 E CA 1.127 57.516 56.400 -0.018 0.000 0.800 249 E CB -0.507 29.191 29.700 -0.003 0.000 0.756 249 E HN 0.530 nan 8.360 nan 0.000 0.449 250 Q N 1.619 121.415 119.800 -0.007 0.000 2.077 250 Q HA -0.192 4.171 4.340 0.038 0.000 0.206 250 Q C 1.534 177.524 176.000 -0.018 0.000 0.989 250 Q CA 1.915 57.714 55.803 -0.007 0.000 0.853 250 Q CB -0.310 28.427 28.738 -0.002 0.000 0.907 250 Q HN 0.163 nan 8.270 nan 0.000 0.418 251 D N -0.459 119.925 120.400 -0.027 0.000 2.117 251 D HA -0.164 4.499 4.640 0.038 0.000 0.197 251 D C 1.738 178.006 176.300 -0.053 0.000 0.987 251 D CA 1.492 55.468 54.000 -0.040 0.000 0.829 251 D CB -0.249 40.523 40.800 -0.047 0.000 0.961 251 D HN 0.423 nan 8.370 nan 0.000 0.460 252 E N 0.925 121.095 120.200 -0.050 0.000 2.106 252 E HA -0.039 4.333 4.350 0.038 0.000 0.192 252 E C 1.811 178.394 176.600 -0.028 0.000 0.984 252 E CA 1.257 57.626 56.400 -0.052 0.000 0.806 252 E CB -0.285 29.405 29.700 -0.018 0.000 0.750 252 E HN 0.136 nan 8.360 nan 0.000 0.458 253 A N 0.279 123.091 122.820 -0.015 0.000 2.067 253 A HA 0.185 4.528 4.320 0.038 0.000 0.219 253 A C 1.829 179.405 177.584 -0.013 0.000 1.158 253 A CA 1.336 53.369 52.037 -0.006 0.000 0.661 253 A CB -1.281 17.719 19.000 -0.001 0.000 0.801 253 A HN 0.488 nan 8.150 nan 0.000 0.452 254 G N -0.632 108.154 108.800 -0.023 0.000 2.684 254 G HA2 -0.309 3.674 3.960 0.038 0.000 0.332 254 G HA3 -0.309 3.674 3.960 0.038 0.000 0.332 254 G C 0.483 175.374 174.900 -0.016 0.000 1.306 254 G CA 0.854 45.939 45.100 -0.024 0.000 1.002 254 G HN 1.602 nan 8.290 nan 0.000 0.545 255 S N 0.078 115.770 115.700 -0.013 0.000 2.664 255 S HA 0.685 5.178 4.470 0.038 0.000 0.262 255 S C -0.129 174.466 174.600 -0.007 0.000 1.229 255 S CA 0.722 58.916 58.200 -0.010 0.000 1.151 255 S CB 0.551 63.746 63.200 -0.010 0.000 1.054 255 S HN 2.044 nan 8.310 nan 0.000 0.483 256 A N 5.903 128.720 122.820 -0.005 0.000 2.943 256 A HA 0.620 4.963 4.320 0.038 0.000 0.327 256 A C -2.587 174.996 177.584 -0.002 0.000 1.141 256 A CA -1.345 50.691 52.037 -0.002 0.000 0.773 256 A CB 0.058 19.059 19.000 0.002 0.000 1.143 256 A HN 0.629 nan 8.150 nan 0.000 0.463 257 P HA -0.007 nan 4.420 nan 0.000 0.261 257 P C 0.592 177.890 177.300 -0.003 0.000 1.140 257 P CA 1.021 64.118 63.100 -0.005 0.000 0.757 257 P CB 0.252 31.948 31.700 -0.007 0.000 0.735 258 A N 4.326 127.144 122.820 -0.002 0.000 2.598 258 A HA -0.069 4.274 4.320 0.038 0.000 0.239 258 A C 0.784 178.366 177.584 -0.004 0.000 1.032 258 A CA 0.211 52.248 52.037 0.000 0.000 0.760 258 A CB -0.226 18.776 19.000 0.002 0.000 0.946 258 A HN 0.530 nan 8.150 nan 0.000 0.512 259 E N 3.022 123.220 120.200 -0.003 0.000 2.344 259 E HA 0.222 4.595 4.350 0.038 0.000 0.270 259 E C -2.351 174.242 176.600 -0.011 0.000 1.021 259 E CA -1.469 54.927 56.400 -0.006 0.000 0.887 259 E CB 0.003 29.701 29.700 -0.004 0.000 0.997 259 E HN 0.423 nan 8.360 nan 0.000 0.429 260 P HA 0.003 nan 4.420 nan 0.000 0.271 260 P C 0.453 177.740 177.300 -0.022 0.000 1.216 260 P CA 0.122 63.209 63.100 -0.022 0.000 0.776 260 P CB 0.573 32.260 31.700 -0.021 0.000 0.881 261 T N -1.152 113.384 114.554 -0.030 0.000 3.043 261 T HA 0.552 4.925 4.350 0.038 0.000 0.272 261 T C 0.596 175.275 174.700 -0.035 0.000 0.990 261 T CA 0.158 62.242 62.100 -0.028 0.000 0.897 261 T CB -0.067 68.784 68.868 -0.029 0.000 1.111 261 T HN 0.542 nan 8.240 nan 0.000 0.529 262 G N 1.570 110.345 108.800 -0.042 0.000 2.364 262 G HA2 0.432 4.415 3.960 0.038 0.000 0.286 262 G HA3 0.432 4.415 3.960 0.038 0.000 0.286 262 G C -1.684 173.184 174.900 -0.054 0.000 1.241 262 G CA -0.048 45.022 45.100 -0.049 0.000 0.887 262 G HN 0.182 nan 8.290 nan 0.000 0.484 263 D N -0.837 119.525 120.400 -0.064 0.000 2.620 263 D HA 0.273 4.936 4.640 0.038 0.000 0.260 263 D C 0.058 176.312 176.300 -0.077 0.000 1.367 263 D CA -0.181 53.784 54.000 -0.058 0.000 0.805 263 D CB 0.600 41.374 40.800 -0.044 0.000 1.096 263 D HN 0.351 nan 8.370 nan 0.000 0.488 264 V N 2.468 122.318 119.914 -0.106 0.000 2.383 264 V HA 0.398 4.541 4.120 0.038 0.000 0.275 264 V C -2.175 173.839 176.094 -0.133 0.000 1.036 264 V CA -1.427 60.789 62.300 -0.140 0.000 0.889 264 V CB 1.405 33.105 31.823 -0.203 0.000 0.985 264 V HN 0.084 nan 8.190 nan 0.000 0.459 265 P HA 0.439 nan 4.420 nan 0.000 0.284 265 P C -1.003 176.219 177.300 -0.130 0.000 1.253 265 P CA -0.270 62.771 63.100 -0.097 0.000 0.800 265 P CB 1.823 33.482 31.700 -0.067 0.000 0.961 266 V N 4.207 124.061 119.914 -0.099 0.000 2.888 266 V HA 0.388 4.531 4.120 0.038 0.000 0.309 266 V C 0.092 176.184 176.094 -0.003 0.000 1.114 266 V CA -0.620 61.618 62.300 -0.105 0.000 0.940 266 V CB 2.372 34.086 31.823 -0.182 0.000 1.021 266 V HN 0.401 nan 8.190 nan 0.000 0.426 267 I N 3.439 124.023 120.570 0.024 0.000 2.339 267 I HA 0.645 4.838 4.170 0.038 0.000 0.290 267 I C 0.499 176.696 176.117 0.134 0.000 0.994 267 I CA -0.440 60.920 61.300 0.101 0.000 1.191 267 I CB 1.708 39.752 38.000 0.074 0.000 1.343 267 I HN 0.737 nan 8.210 nan 0.000 0.458 268 A N 6.566 129.498 122.820 0.186 0.000 2.328 268 A HA 0.673 5.015 4.320 0.038 0.000 0.284 268 A C -0.682 176.854 177.584 -0.081 0.000 1.160 268 A CA -0.376 51.695 52.037 0.057 0.000 0.818 268 A CB 1.157 20.370 19.000 0.354 0.000 1.087 268 A HN 0.518 nan 8.150 nan 0.000 0.504 269 V N 2.649 122.263 119.914 -0.500 0.000 2.752 269 V HA 0.755 4.897 4.120 0.038 0.000 0.302 269 V C 0.181 175.946 176.094 -0.548 0.000 1.133 269 V CA 0.585 62.708 62.300 -0.295 0.000 0.919 269 V CB 1.836 33.572 31.823 -0.145 0.000 1.026 269 V HN 1.473 nan 8.190 nan 0.000 0.429 270 G N 3.546 112.178 108.800 -0.281 0.000 3.222 270 G HA2 0.919 4.902 3.960 0.038 0.000 0.263 270 G HA3 0.919 4.902 3.960 0.038 0.000 0.263 270 G C -0.292 174.570 174.900 -0.064 0.000 1.312 270 G CA -0.432 44.498 45.100 -0.282 0.000 0.934 270 G HN 1.454 nan 8.290 nan 0.000 0.577 271 G N -1.612 107.222 108.800 0.057 0.000 2.720 271 G HA2 0.477 4.460 3.960 0.038 0.000 0.295 271 G HA3 0.477 4.460 3.960 0.038 0.000 0.295 271 G C -0.198 174.776 174.900 0.124 0.000 1.437 271 G CA -0.650 44.468 45.100 0.031 0.000 0.886 271 G HN 0.548 nan 8.290 nan 0.000 0.509 272 L N 1.581 122.804 121.223 -0.000 0.000 2.628 272 L HA 0.292 4.655 4.340 0.038 0.000 0.229 272 L C 1.921 178.725 176.870 -0.110 0.000 1.137 272 L CA 0.546 55.357 54.840 -0.048 0.000 0.909 272 L CB -0.548 41.466 42.059 -0.074 0.000 1.137 272 L HN 1.073 nan 8.230 nan 0.000 0.470 273 G N 0.781 109.530 108.800 -0.086 0.000 2.596 273 G HA2 -0.295 3.688 3.960 0.038 0.000 0.295 273 G HA3 -0.295 3.688 3.960 0.038 0.000 0.295 273 G C -0.134 174.788 174.900 0.036 0.000 1.240 273 G CA -0.017 45.090 45.100 0.012 0.000 0.985 273 G HN 0.020 nan 8.290 nan 0.000 0.555 274 V N 0.390 120.315 119.914 0.018 0.000 2.656 274 V HA 0.701 4.844 4.120 0.038 0.000 0.307 274 V C 1.191 177.240 176.094 -0.075 0.000 1.051 274 V CA 0.984 63.290 62.300 0.010 0.000 0.893 274 V CB 0.789 32.638 31.823 0.043 0.000 0.999 274 V HN 2.790 nan 8.190 nan 0.000 0.426 275 G N 3.284 112.044 108.800 -0.067 0.000 2.195 275 G HA2 -0.191 3.791 3.960 0.038 0.000 0.224 275 G HA3 -0.191 3.791 3.960 0.038 0.000 0.224 275 G C 0.493 175.302 174.900 -0.152 0.000 0.990 275 G CA 0.376 45.440 45.100 -0.061 0.000 0.639 275 G HN 0.578 nan 8.290 nan 0.000 0.514 276 I N -0.451 119.959 120.570 -0.267 0.000 2.729 276 I HA 0.354 4.547 4.170 0.038 0.000 0.256 276 I C 1.072 177.176 176.117 -0.022 0.000 1.115 276 I CA 0.853 61.983 61.300 -0.283 0.000 1.446 276 I CB 0.344 38.086 38.000 -0.431 0.000 1.176 276 I HN 0.048 nan 8.210 nan 0.000 0.446 277 K N 0.467 120.846 120.400 -0.035 0.000 2.501 277 K HA 0.253 4.596 4.320 0.038 0.000 0.252 277 K C 0.106 176.703 176.600 -0.005 0.000 0.934 277 K CA -0.371 55.919 56.287 0.006 0.000 0.797 277 K CB 2.291 34.792 32.500 0.002 0.000 1.270 277 K HN -0.085 nan 8.250 nan 0.000 0.431 278 E N 0.251 120.459 120.200 0.013 0.000 2.051 278 E HA -0.039 4.334 4.350 0.038 0.000 0.189 278 E C 0.053 176.659 176.600 0.010 0.000 0.979 278 E CA 0.808 57.215 56.400 0.011 0.000 0.803 278 E CB 0.361 30.071 29.700 0.017 0.000 0.761 278 E HN 0.620 nan 8.360 nan 0.000 0.451 279 S N -0.299 115.409 115.700 0.014 0.000 2.656 279 S HA 0.216 4.709 4.470 0.038 0.000 0.273 279 S C -1.322 173.290 174.600 0.020 0.000 1.168 279 S CA -1.093 57.117 58.200 0.017 0.000 0.817 279 S CB 1.841 65.061 63.200 0.034 0.000 1.146 279 S HN -0.074 nan 8.310 nan 0.000 0.475 280 D N 1.948 122.362 120.400 0.024 0.000 2.393 280 D HA 0.376 5.039 4.640 0.038 0.000 0.232 280 D C -1.219 175.109 176.300 0.047 0.000 1.192 280 D CA -2.242 51.780 54.000 0.037 0.000 0.882 280 D CB 1.151 41.975 40.800 0.040 0.000 1.038 280 D HN 0.250 nan 8.370 nan 0.000 0.499 281 P HA -0.104 nan 4.420 nan 0.000 0.225 281 P C 1.196 178.523 177.300 0.045 0.000 1.148 281 P CA 0.455 63.579 63.100 0.040 0.000 0.779 281 P CB 0.409 32.128 31.700 0.032 0.000 0.780 282 S N -0.968 114.761 115.700 0.049 0.000 2.489 282 S HA 0.020 4.513 4.470 0.038 0.000 0.228 282 S C 1.122 175.762 174.600 0.068 0.000 0.995 282 S CA -0.055 58.176 58.200 0.052 0.000 0.934 282 S CB -0.555 62.676 63.200 0.052 0.000 0.771 282 S HN 0.119 nan 8.310 nan 0.000 0.522 283 S N 0.036 115.782 115.700 0.078 0.000 2.545 283 S HA 0.513 5.006 4.470 0.038 0.000 0.275 283 S C 0.969 175.646 174.600 0.129 0.000 1.299 283 S CA -0.180 58.082 58.200 0.104 0.000 1.048 283 S CB 1.182 64.445 63.200 0.105 0.000 0.938 283 S HN 0.430 nan 8.310 nan 0.000 0.496 284 G N 3.208 112.099 108.800 0.151 0.000 3.189 284 G HA2 0.085 4.068 3.960 0.038 0.000 0.225 284 G HA3 0.085 4.068 3.960 0.038 0.000 0.225 284 G C 0.051 175.120 174.900 0.283 0.000 1.159 284 G CA -0.270 44.933 45.100 0.171 0.000 0.763 284 G HN 0.765 nan 8.290 nan 0.000 0.549 285 Y N 3.238 123.597 120.300 0.099 0.000 2.610 285 Y HA 0.228 4.801 4.550 0.039 0.000 0.332 285 Y C 0.443 176.415 175.900 0.120 0.000 1.201 285 Y CA -0.633 57.501 58.100 0.056 0.000 1.465 285 Y CB 0.277 38.737 38.460 0.001 0.000 1.283 285 Y HN 0.430 nan 8.280 nan 0.000 0.563 286 H N 6.703 125.481 119.070 -0.487 0.000 2.734 286 H HA 0.336 4.915 4.556 0.038 0.000 0.247 286 H C -3.141 171.904 175.328 -0.471 0.000 1.415 286 H CA -1.694 54.109 56.048 -0.407 0.000 1.514 286 H CB -0.140 29.522 29.762 -0.168 0.000 1.841 286 H HN 0.542 nan 8.280 nan 0.000 0.609 287 P HA 0.197 nan 4.420 nan 0.000 0.278 287 P C -0.306 176.848 177.300 -0.242 0.000 1.266 287 P CA -0.457 62.329 63.100 -0.523 0.000 0.807 287 P CB 1.751 33.140 31.700 -0.518 0.000 1.094 288 D N 0.976 121.283 120.400 -0.155 0.000 2.338 288 D HA 0.234 4.896 4.640 0.038 0.000 0.255 288 D C 0.237 176.500 176.300 -0.063 0.000 1.237 288 D CA 0.079 54.030 54.000 -0.081 0.000 0.883 288 D CB 0.260 41.027 40.800 -0.055 0.000 1.087 288 D HN 0.228 nan 8.370 nan 0.000 0.485 289 L N 4.938 126.131 121.223 -0.051 0.000 2.436 289 L HA 0.306 4.669 4.340 0.038 0.000 0.265 289 L C -1.477 175.381 176.870 -0.020 0.000 1.168 289 L CA -1.370 53.451 54.840 -0.032 0.000 0.815 289 L CB 0.353 42.394 42.059 -0.030 0.000 1.109 289 L HN 0.248 nan 8.230 nan 0.000 0.462 290 P HA 0.114 nan 4.420 nan 0.000 0.276 290 P C -0.852 176.439 177.300 -0.015 0.000 1.252 290 P CA -0.396 62.701 63.100 -0.005 0.000 0.802 290 P CB 1.368 33.074 31.700 0.011 0.000 1.035 291 T N -0.071 114.478 114.554 -0.009 0.000 3.009 291 T HA 0.616 4.989 4.350 0.038 0.000 0.346 291 T C -1.266 173.430 174.700 -0.006 0.000 1.092 291 T CA -0.389 61.703 62.100 -0.014 0.000 1.080 291 T CB -0.780 68.081 68.868 -0.011 0.000 1.037 291 T HN 0.553 nan 8.240 nan 0.000 0.487 292 A N 6.111 128.923 122.820 -0.013 0.000 2.611 292 A HA 0.673 5.016 4.320 0.038 0.000 0.282 292 A C -2.671 174.900 177.584 -0.022 0.000 1.114 292 A CA -1.144 50.894 52.037 0.001 0.000 0.800 292 A CB 0.676 19.695 19.000 0.032 0.000 1.325 292 A HN 0.631 nan 8.150 nan 0.000 0.411 293 P HA 0.211 nan 4.420 nan 0.000 0.267 293 P C -0.988 176.305 177.300 -0.012 0.000 1.200 293 P CA 0.206 63.290 63.100 -0.027 0.000 0.772 293 P CB 0.826 32.518 31.700 -0.013 0.000 0.855 294 D N 0.539 120.919 120.400 -0.034 0.000 2.198 294 D HA 0.119 4.782 4.640 0.038 0.000 0.245 294 D C 0.823 177.132 176.300 0.015 0.000 1.079 294 D CA -0.302 53.703 54.000 0.008 0.000 0.854 294 D CB 0.988 41.757 40.800 -0.052 0.000 1.148 294 D HN 0.123 nan 8.370 nan 0.000 0.456 295 T N 2.832 117.407 114.554 0.034 0.000 3.035 295 T HA -0.024 4.349 4.350 0.038 0.000 0.268 295 T C 1.338 176.048 174.700 0.016 0.000 1.109 295 T CA 0.816 62.927 62.100 0.020 0.000 1.119 295 T CB 0.195 69.075 68.868 0.019 0.000 0.900 295 T HN 0.279 nan 8.240 nan 0.000 0.503 296 K N -0.491 119.924 120.400 0.024 0.000 2.348 296 K HA 0.297 4.640 4.320 0.038 0.000 0.194 296 K C 0.319 176.925 176.600 0.010 0.000 1.052 296 K CA 0.100 56.398 56.287 0.018 0.000 1.004 296 K CB 0.394 32.910 32.500 0.027 0.000 0.873 296 K HN 0.191 nan 8.250 nan 0.000 0.523 297 c N 0.681 119.284 118.600 0.004 0.000 2.931 297 c HA 0.422 5.015 4.570 0.038 0.000 0.370 297 c C -1.091 172.986 174.090 -0.022 0.000 1.071 297 c CA -0.372 55.952 56.329 -0.008 0.000 1.266 297 c CB 1.286 43.789 42.510 -0.011 0.000 1.691 297 c HN 0.260 nan 8.230 nan 0.000 0.511 298 T N 4.263 118.806 114.554 -0.018 0.000 2.791 298 T HA 0.414 4.787 4.350 0.038 0.000 0.288 298 T C -0.312 174.379 174.700 -0.016 0.000 0.999 298 T CA -0.157 61.930 62.100 -0.021 0.000 0.952 298 T CB 1.359 70.220 68.868 -0.013 0.000 0.938 298 T HN 0.776 nan 8.240 nan 0.000 0.444 299 V N 4.100 124.002 119.914 -0.020 0.000 2.614 299 V HA 0.534 4.677 4.120 0.038 0.000 0.291 299 V C 1.231 177.335 176.094 0.017 0.000 1.049 299 V CA 0.622 62.920 62.300 -0.003 0.000 1.038 299 V CB 1.127 32.949 31.823 -0.001 0.000 0.980 299 V HN 1.016 nan 8.190 nan 0.000 0.481 300 G N 6.134 114.952 108.800 0.030 0.000 2.404 300 G HA2 0.038 4.021 3.960 0.038 0.000 0.213 300 G HA3 0.038 4.021 3.960 0.038 0.000 0.213 300 G C 0.684 175.624 174.900 0.067 0.000 1.189 300 G CA -0.186 44.939 45.100 0.041 0.000 0.796 300 G HN 0.626 nan 8.290 nan 0.000 0.532 301 L N 0.953 122.238 121.223 0.103 0.000 2.529 301 L HA 0.029 4.392 4.340 0.038 0.000 0.287 301 L C 0.839 177.791 176.870 0.136 0.000 1.241 301 L CA -0.617 54.319 54.840 0.160 0.000 0.857 301 L CB 0.210 42.438 42.059 0.283 0.000 1.113 301 L HN 0.346 nan 8.230 nan 0.000 0.504 302 H N 1.993 121.064 119.070 0.003 0.000 3.070 302 H HA -0.068 4.511 4.556 0.038 0.000 0.313 302 H C -0.281 174.940 175.328 -0.178 0.000 0.997 302 H CA -0.006 55.988 56.048 -0.091 0.000 1.438 302 H CB 0.227 29.904 29.762 -0.141 0.000 1.455 302 H HN 0.409 nan 8.280 nan 0.000 0.575 303 D N 3.712 123.732 120.400 -0.633 0.000 2.494 303 D HA 0.012 4.675 4.640 0.038 0.000 0.217 303 D C 0.212 176.077 176.300 -0.725 0.000 1.153 303 D CA -0.122 53.625 54.000 -0.422 0.000 0.954 303 D CB -0.428 40.257 40.800 -0.192 0.000 1.034 303 D HN 0.740 nan 8.370 nan 0.000 0.518 304 N N 0.778 118.794 118.700 -1.140 0.000 2.289 304 N HA -0.124 4.639 4.740 0.038 0.000 0.184 304 N C 1.353 176.343 175.510 -0.867 0.000 1.016 304 N CA 1.189 53.471 53.050 -1.280 0.000 0.872 304 N CB 0.305 37.411 38.487 -2.302 0.000 0.973 304 N HN 0.303 nan 8.380 nan 0.000 0.433 305 T N 0.242 114.570 114.554 -0.378 0.000 2.770 305 T HA 0.010 4.383 4.350 0.038 0.000 0.263 305 T C 1.341 176.017 174.700 -0.040 0.000 1.039 305 T CA 0.890 62.967 62.100 -0.038 0.000 1.142 305 T CB -0.050 68.922 68.868 0.174 0.000 0.868 305 T HN 0.290 nan 8.240 nan 0.000 0.435 306 N N 0.676 119.322 118.700 -0.090 0.000 2.322 306 N HA 0.268 5.030 4.740 0.038 0.000 0.181 306 N C 0.727 176.183 175.510 -0.091 0.000 1.088 306 N CA 0.345 53.350 53.050 -0.076 0.000 0.885 306 N CB 0.637 39.066 38.487 -0.097 0.000 1.013 306 N HN 0.344 nan 8.380 nan 0.000 0.472 307 A N 0.136 122.860 122.820 -0.160 0.000 2.676 307 A HA 0.199 4.542 4.320 0.038 0.000 0.258 307 A C -0.799 176.706 177.584 -0.132 0.000 0.898 307 A CA -0.350 51.601 52.037 -0.143 0.000 1.087 307 A CB 0.409 19.307 19.000 -0.170 0.000 1.214 307 A HN -0.032 nan 8.150 nan 0.000 0.474 308 D N 0.102 120.456 120.400 -0.076 0.000 2.470 308 D HA 0.155 4.818 4.640 0.038 0.000 0.233 308 D C 0.652 177.013 176.300 0.102 0.000 1.372 308 D CA -0.400 53.614 54.000 0.024 0.000 0.994 308 D CB 1.158 41.958 40.800 -0.000 0.000 1.377 308 D HN 0.226 nan 8.370 nan 0.000 0.586 309 R N 2.628 123.193 120.500 0.109 0.000 2.081 309 R HA -0.116 4.247 4.340 0.038 0.000 0.235 309 R C 0.586 177.009 176.300 0.205 0.000 1.131 309 R CA 1.250 57.449 56.100 0.165 0.000 0.960 309 R CB 0.276 30.632 30.300 0.094 0.000 0.856 309 R HN 0.413 nan 8.270 nan 0.000 0.436 310 D N -0.509 119.976 120.400 0.142 0.000 2.149 310 D HA -0.169 4.493 4.640 0.038 0.000 0.201 310 D C 1.582 177.929 176.300 0.078 0.000 0.972 310 D CA 0.907 54.971 54.000 0.107 0.000 0.835 310 D CB -0.437 40.407 40.800 0.073 0.000 0.966 310 D HN 0.264 nan 8.370 nan 0.000 0.476 311 Y N 2.101 122.384 120.300 -0.028 0.000 2.151 311 Y HA -0.265 4.308 4.550 0.038 0.000 0.284 311 Y C 1.751 177.610 175.900 -0.069 0.000 1.166 311 Y CA 1.806 59.858 58.100 -0.081 0.000 1.163 311 Y CB -0.078 38.284 38.460 -0.164 0.000 0.974 311 Y HN -0.140 nan 8.280 nan 0.000 0.511 312 D N -0.590 119.821 120.400 0.017 0.000 2.123 312 D HA -0.190 4.473 4.640 0.038 0.000 0.196 312 D C 2.274 178.406 176.300 -0.280 0.000 0.992 312 D CA 2.357 56.274 54.000 -0.139 0.000 0.833 312 D CB -0.591 40.201 40.800 -0.014 0.000 0.954 312 D HN 0.604 nan 8.370 nan 0.000 0.455 313 T N -1.166 113.280 114.554 -0.181 0.000 2.962 313 T HA -0.088 4.285 4.350 0.038 0.000 0.270 313 T C 1.871 176.486 174.700 -0.142 0.000 1.088 313 T CA 1.244 63.240 62.100 -0.173 0.000 1.127 313 T CB -0.362 68.484 68.868 -0.036 0.000 0.883 313 T HN 0.113 nan 8.240 nan 0.000 0.493 314 V N -2.058 117.747 119.914 -0.181 0.000 3.542 314 V HA 0.453 4.596 4.120 0.038 0.000 0.296 314 V C 0.405 176.352 176.094 -0.245 0.000 1.364 314 V CA -0.511 61.693 62.300 -0.161 0.000 1.118 314 V CB -0.694 31.055 31.823 -0.124 0.000 0.972 314 V HN 0.349 nan 8.190 nan 0.000 0.430 315 N N 1.882 120.361 118.700 -0.370 0.000 2.679 315 N HA 0.288 5.051 4.740 0.038 0.000 0.302 315 N C -2.163 173.174 175.510 -0.289 0.000 1.941 315 N CA -0.784 52.034 53.050 -0.387 0.000 0.875 315 N CB 1.576 39.609 38.487 -0.757 0.000 1.278 315 N HN 0.315 nan 8.380 nan 0.000 0.490 316 P HA -0.196 nan 4.420 nan 0.000 0.221 316 P C 1.177 178.319 177.300 -0.262 0.000 1.145 316 P CA 1.243 64.175 63.100 -0.281 0.000 0.795 316 P CB 0.327 31.851 31.700 -0.293 0.000 0.775 317 E N 0.746 120.819 120.200 -0.211 0.000 2.118 317 E HA -0.232 4.140 4.350 0.038 0.000 0.195 317 E C 1.714 178.182 176.600 -0.220 0.000 0.992 317 E CA 0.965 57.235 56.400 -0.217 0.000 0.804 317 E CB -0.792 28.790 29.700 -0.196 0.000 0.741 317 E HN 0.155 nan 8.360 nan 0.000 0.458 318 E N 1.197 121.293 120.200 -0.172 0.000 2.065 318 E HA -0.197 4.176 4.350 0.038 0.000 0.201 318 E C 1.958 178.474 176.600 -0.140 0.000 1.016 318 E CA 1.747 58.074 56.400 -0.121 0.000 0.818 318 E CB -0.125 29.560 29.700 -0.025 0.000 0.749 318 E HN 0.255 nan 8.360 nan 0.000 0.453 319 N N -0.266 118.331 118.700 -0.172 0.000 2.244 319 N HA -0.093 4.670 4.740 0.038 0.000 0.183 319 N C 1.504 176.896 175.510 -0.197 0.000 1.016 319 N CA 1.178 54.123 53.050 -0.175 0.000 0.866 319 N CB -0.385 37.969 38.487 -0.221 0.000 0.980 319 N HN 0.202 nan 8.380 nan 0.000 0.430 320 A N 1.028 123.706 122.820 -0.237 0.000 1.908 320 A HA -0.080 4.263 4.320 0.038 0.000 0.218 320 A C 2.345 179.809 177.584 -0.201 0.000 1.181 320 A CA 1.004 52.904 52.037 -0.228 0.000 0.627 320 A CB -0.678 18.183 19.000 -0.232 0.000 0.818 320 A HN 0.222 nan 8.150 nan 0.000 0.445 321 L N -1.505 119.575 121.223 -0.238 0.000 2.072 321 L HA -0.123 4.240 4.340 0.038 0.000 0.205 321 L C 2.852 179.625 176.870 -0.163 0.000 1.079 321 L CA 1.255 55.943 54.840 -0.254 0.000 0.752 321 L CB -0.413 41.440 42.059 -0.343 0.000 0.906 321 L HN 0.313 nan 8.230 nan 0.000 0.436 322 R N -0.100 120.321 120.500 -0.131 0.000 2.091 322 R HA -0.153 4.210 4.340 0.038 0.000 0.238 322 R C 2.490 178.743 176.300 -0.078 0.000 1.136 322 R CA 1.778 57.827 56.100 -0.085 0.000 0.959 322 R CB -0.398 29.868 30.300 -0.057 0.000 0.856 322 R HN 0.419 nan 8.270 nan 0.000 0.437 323 S N 0.223 115.867 115.700 -0.094 0.000 2.528 323 S HA -0.008 4.485 4.470 0.038 0.000 0.219 323 S C 1.841 176.404 174.600 -0.062 0.000 0.985 323 S CA 0.129 58.282 58.200 -0.077 0.000 0.914 323 S CB 0.029 63.176 63.200 -0.088 0.000 0.776 323 S HN 0.196 nan 8.310 nan 0.000 0.526 324 L N 1.916 123.095 121.223 -0.073 0.000 2.017 324 L HA 0.162 4.524 4.340 0.038 0.000 0.208 324 L C 2.139 178.990 176.870 -0.031 0.000 1.073 324 L CA 1.659 56.472 54.840 -0.045 0.000 0.745 324 L CB -0.704 41.319 42.059 -0.061 0.000 0.894 324 L HN 0.356 nan 8.230 nan 0.000 0.432 325 I N -0.139 120.400 120.570 -0.052 0.000 2.208 325 I HA -0.302 3.891 4.170 0.038 0.000 0.245 325 I C 2.566 178.665 176.117 -0.031 0.000 1.097 325 I CA 1.256 62.528 61.300 -0.047 0.000 1.363 325 I CB -0.699 37.263 38.000 -0.063 0.000 1.051 325 I HN 0.383 nan 8.210 nan 0.000 0.413 326 A N 0.527 123.329 122.820 -0.031 0.000 2.019 326 A HA -0.203 4.139 4.320 0.038 0.000 0.219 326 A C 2.381 179.958 177.584 -0.012 0.000 1.164 326 A CA 1.947 53.970 52.037 -0.024 0.000 0.644 326 A CB -0.691 18.291 19.000 -0.030 0.000 0.805 326 A HN 0.544 nan 8.150 nan 0.000 0.449 327 S N -0.341 115.364 115.700 0.009 0.000 2.607 327 S HA 0.434 4.926 4.470 0.038 0.000 0.224 327 S C 0.915 175.575 174.600 0.100 0.000 0.969 327 S CA 0.367 58.591 58.200 0.041 0.000 0.927 327 S CB -0.677 62.576 63.200 0.089 0.000 0.772 327 S HN 0.898 nan 8.310 nan 0.000 0.533 328 A N 1.730 124.586 122.820 0.061 0.000 2.492 328 A HA 0.402 4.745 4.320 0.038 0.000 0.254 328 A C 1.200 178.802 177.584 0.030 0.000 1.091 328 A CA -0.453 51.609 52.037 0.042 0.000 0.768 328 A CB 0.143 19.130 19.000 -0.022 0.000 1.028 328 A HN 0.543 nan 8.150 nan 0.000 0.498 329 R N 1.466 121.995 120.500 0.048 0.000 2.282 329 R HA 0.068 4.431 4.340 0.038 0.000 0.195 329 R C 1.442 177.761 176.300 0.031 0.000 0.909 329 R CA 1.056 57.172 56.100 0.025 0.000 1.039 329 R CB 0.393 30.705 30.300 0.019 0.000 1.015 329 R HN 0.771 nan 8.270 nan 0.000 0.513 330 S N -0.565 115.156 115.700 0.035 0.000 3.265 330 S HA 0.036 4.529 4.470 0.038 0.000 0.259 330 S C -0.327 174.363 174.600 0.150 0.000 1.089 330 S CA -0.341 57.916 58.200 0.093 0.000 0.811 330 S CB 0.305 63.596 63.200 0.151 0.000 0.858 330 S HN 0.500 nan 8.310 nan 0.000 0.452 331 H N -1.239 117.822 119.070 -0.014 0.000 3.042 331 H HA 0.763 5.342 4.556 0.037 0.000 0.346 331 H C -1.598 173.706 175.328 -0.041 0.000 1.294 331 H CA -1.072 54.951 56.048 -0.042 0.000 1.141 331 H CB 1.541 31.266 29.762 -0.063 0.000 1.872 331 H HN 0.106 nan 8.280 nan 0.000 0.541 332 V N 1.303 121.214 119.914 -0.005 0.000 2.686 332 V HA 0.411 4.554 4.120 0.038 0.000 0.306 332 V C -0.859 175.229 176.094 -0.010 0.000 1.065 332 V CA -0.785 61.484 62.300 -0.052 0.000 0.894 332 V CB 1.523 33.316 31.823 -0.051 0.000 1.004 332 V HN 0.800 nan 8.190 nan 0.000 0.424 333 E N 3.821 124.022 120.200 0.000 0.000 2.187 333 E HA 0.718 5.091 4.350 0.038 0.000 0.268 333 E C -1.073 175.538 176.600 0.019 0.000 0.896 333 E CA -0.246 56.153 56.400 -0.002 0.000 0.766 333 E CB 2.382 32.092 29.700 0.016 0.000 1.142 333 E HN 0.599 nan 8.360 nan 0.000 0.408 334 I N 1.636 122.218 120.570 0.020 0.000 2.436 334 I HA 0.396 4.589 4.170 0.038 0.000 0.289 334 I C -0.576 175.601 176.117 0.101 0.000 1.010 334 I CA -0.691 60.637 61.300 0.047 0.000 1.098 334 I CB 1.919 39.922 38.000 0.006 0.000 1.266 334 I HN 0.309 nan 8.210 nan 0.000 0.434 335 S N 6.542 122.331 115.700 0.150 0.000 2.756 335 S HA 0.528 5.020 4.470 0.038 0.000 0.303 335 S C -0.998 173.729 174.600 0.211 0.000 1.135 335 S CA -0.559 57.774 58.200 0.221 0.000 1.066 335 S CB 0.660 64.076 63.200 0.360 0.000 1.008 335 S HN 0.545 nan 8.310 nan 0.000 0.482 336 Q N 2.588 122.481 119.800 0.155 0.000 2.456 336 Q HA 0.285 4.648 4.340 0.038 0.000 0.284 336 Q C 0.465 176.544 176.000 0.130 0.000 1.061 336 Q CA -0.720 55.169 55.803 0.144 0.000 0.799 336 Q CB 1.618 30.438 28.738 0.137 0.000 1.445 336 Q HN 0.822 nan 8.270 nan 0.000 0.411 337 Q N 0.332 120.232 119.800 0.166 0.000 2.030 337 Q HA -0.125 4.237 4.340 0.038 0.000 0.204 337 Q C -0.546 175.569 176.000 0.192 0.000 0.986 337 Q CA 1.636 57.565 55.803 0.210 0.000 0.843 337 Q CB 0.514 29.448 28.738 0.328 0.000 0.904 337 Q HN 0.486 nan 8.270 nan 0.000 0.420 338 D N -1.698 118.851 120.400 0.248 0.000 2.655 338 D HA 0.168 4.831 4.640 0.038 0.000 0.229 338 D C -0.401 176.070 176.300 0.286 0.000 1.229 338 D CA -0.371 53.741 54.000 0.187 0.000 0.807 338 D CB 1.889 42.667 40.800 -0.036 0.000 1.514 338 D HN 0.045 nan 8.370 nan 0.000 0.444 339 L N 1.094 122.441 121.223 0.207 0.000 2.513 339 L HA 0.183 4.546 4.340 0.038 0.000 0.222 339 L C 0.087 177.147 176.870 0.316 0.000 1.096 339 L CA 0.701 55.682 54.840 0.235 0.000 0.857 339 L CB -0.003 42.142 42.059 0.144 0.000 1.026 339 L HN 0.204 nan 8.230 nan 0.000 0.469 340 N N -0.707 118.124 118.700 0.219 0.000 2.335 340 N HA 0.679 5.442 4.740 0.038 0.000 0.304 340 N C -0.537 174.981 175.510 0.014 0.000 1.135 340 N CA -0.231 52.929 53.050 0.183 0.000 0.817 340 N CB 1.852 40.418 38.487 0.132 0.000 1.294 340 N HN -0.001 nan 8.380 nan 0.000 0.497 341 A N -0.078 122.750 122.820 0.013 0.000 2.288 341 A HA 0.647 4.990 4.320 0.038 0.000 0.328 341 A C -0.285 177.234 177.584 -0.108 0.000 1.123 341 A CA -0.518 51.443 52.037 -0.125 0.000 0.861 341 A CB 0.290 19.276 19.000 -0.024 0.000 1.272 341 A HN 0.509 nan 8.150 nan 0.000 0.490 342 T N 0.918 115.388 114.554 -0.140 0.000 2.769 342 T HA 0.321 4.694 4.350 0.038 0.000 0.293 342 T C -0.376 174.276 174.700 -0.079 0.000 0.931 342 T CA 0.423 62.466 62.100 -0.095 0.000 1.139 342 T CB -0.441 68.372 68.868 -0.092 0.000 0.881 342 T HN 0.696 nan 8.240 nan 0.000 0.532 343 c N 8.192 126.760 118.600 -0.053 0.000 2.396 343 c HA 0.668 5.261 4.570 0.038 0.000 0.321 343 c C -2.089 171.983 174.090 -0.031 0.000 1.233 343 c CA -2.015 54.286 56.329 -0.048 0.000 1.440 343 c CB 0.458 42.944 42.510 -0.039 0.000 2.110 343 c HN 0.708 nan 8.230 nan 0.000 0.473 344 P HA 0.322 nan 4.420 nan 0.000 0.274 344 P C -2.186 175.089 177.300 -0.041 0.000 1.260 344 P CA -0.804 62.277 63.100 -0.032 0.000 0.793 344 P CB 0.147 31.839 31.700 -0.013 0.000 1.048 345 P HA 0.062 nan 4.420 nan 0.000 0.231 345 P C 0.426 177.667 177.300 -0.098 0.000 1.168 345 P CA 0.931 64.003 63.100 -0.047 0.000 0.779 345 P CB 0.394 32.076 31.700 -0.030 0.000 0.844 346 L N 1.581 122.700 121.223 -0.173 0.000 2.375 346 L HA 0.431 4.793 4.340 0.038 0.000 0.268 346 L C -2.166 174.619 176.870 -0.143 0.000 1.058 346 L CA -2.360 52.313 54.840 -0.280 0.000 0.803 346 L CB 0.927 42.723 42.059 -0.439 0.000 1.212 346 L HN -0.174 nan 8.230 nan 0.000 0.451 347 P HA 0.063 nan 4.420 nan 0.000 0.268 347 P C 0.235 177.474 177.300 -0.101 0.000 1.208 347 P CA -0.119 62.921 63.100 -0.100 0.000 0.777 347 P CB 0.912 32.560 31.700 -0.087 0.000 0.875 348 R N 1.471 121.909 120.500 -0.103 0.000 2.153 348 R HA -0.033 4.329 4.340 0.038 0.000 0.218 348 R C 0.296 176.680 176.300 0.140 0.000 1.072 348 R CA 1.115 57.224 56.100 0.014 0.000 0.990 348 R CB 0.024 30.365 30.300 0.069 0.000 0.889 348 R HN 0.656 nan 8.270 nan 0.000 0.452 349 Y N -3.655 116.633 120.300 -0.021 0.000 2.670 349 Y HA 0.389 4.962 4.550 0.038 0.000 0.334 349 Y C -1.488 174.451 175.900 0.064 0.000 1.185 349 Y CA -1.901 56.217 58.100 0.031 0.000 1.053 349 Y CB 0.652 39.047 38.460 -0.108 0.000 1.298 349 Y HN -0.285 nan 8.280 nan 0.000 0.459 350 D N 1.836 122.437 120.400 0.334 0.000 2.365 350 D HA 0.255 4.918 4.640 0.038 0.000 0.237 350 D C 0.842 177.358 176.300 0.359 0.000 1.190 350 D CA 0.084 54.223 54.000 0.230 0.000 0.867 350 D CB 0.885 41.803 40.800 0.198 0.000 1.050 350 D HN 0.752 nan 8.370 nan 0.000 0.491 351 I N 3.474 124.153 120.570 0.182 0.000 2.127 351 I HA -0.287 3.905 4.170 0.038 0.000 0.241 351 I C 2.533 178.787 176.117 0.227 0.000 1.075 351 I CA 0.918 62.361 61.300 0.239 0.000 1.334 351 I CB -0.057 37.989 38.000 0.076 0.000 1.040 351 I HN 0.328 nan 8.210 nan 0.000 0.405 352 R N 0.016 120.599 120.500 0.139 0.000 2.105 352 R HA -0.144 4.219 4.340 0.038 0.000 0.239 352 R C 2.329 178.691 176.300 0.104 0.000 1.135 352 R CA 1.968 58.128 56.100 0.100 0.000 0.967 352 R CB -0.556 29.781 30.300 0.062 0.000 0.861 352 R HN 0.381 nan 8.270 nan 0.000 0.442 353 T N -0.160 114.471 114.554 0.128 0.000 2.777 353 T HA -0.143 4.230 4.350 0.038 0.000 0.266 353 T C 1.347 176.087 174.700 0.067 0.000 1.040 353 T CA 1.219 63.361 62.100 0.071 0.000 1.141 353 T CB -0.297 68.605 68.868 0.056 0.000 0.868 353 T HN 0.242 nan 8.240 nan 0.000 0.444 354 Y N 1.675 122.018 120.300 0.072 0.000 2.293 354 Y HA -0.094 4.479 4.550 0.039 0.000 0.291 354 Y C 2.350 178.262 175.900 0.019 0.000 1.137 354 Y CA 0.875 58.994 58.100 0.031 0.000 1.202 354 Y CB -0.233 38.231 38.460 0.007 0.000 0.990 354 Y HN 0.176 nan 8.280 nan 0.000 0.537 355 D N -1.247 119.263 120.400 0.183 0.000 2.144 355 D HA -0.127 4.535 4.640 0.038 0.000 0.200 355 D C 2.107 178.437 176.300 0.049 0.000 0.978 355 D CA 1.719 55.780 54.000 0.101 0.000 0.833 355 D CB -0.454 40.398 40.800 0.085 0.000 0.961 355 D HN 0.240 nan 8.370 nan 0.000 0.470 356 T N 0.906 115.479 114.554 0.031 0.000 2.821 356 T HA -0.027 4.345 4.350 0.038 0.000 0.267 356 T C 2.188 176.877 174.700 -0.018 0.000 1.046 356 T CA 0.496 62.596 62.100 -0.001 0.000 1.139 356 T CB -0.116 68.743 68.868 -0.014 0.000 0.871 356 T HN 0.109 nan 8.240 nan 0.000 0.454 357 L N 0.698 121.898 121.223 -0.038 0.000 2.027 357 L HA -0.019 4.344 4.340 0.038 0.000 0.206 357 L C 3.108 179.959 176.870 -0.033 0.000 1.074 357 L CA 1.116 55.916 54.840 -0.067 0.000 0.745 357 L CB -0.764 41.204 42.059 -0.152 0.000 0.898 357 L HN 0.224 nan 8.230 nan 0.000 0.433 358 A N 0.635 123.455 122.820 -0.000 0.000 1.873 358 A HA -0.222 4.121 4.320 0.038 0.000 0.218 358 A C 2.394 179.983 177.584 0.008 0.000 1.193 358 A CA 2.099 54.147 52.037 0.018 0.000 0.629 358 A CB -1.505 17.523 19.000 0.047 0.000 0.826 358 A HN 0.465 nan 8.150 nan 0.000 0.447 359 G N -0.578 108.226 108.800 0.008 0.000 2.469 359 G HA2 -0.254 3.729 3.960 0.038 0.000 0.220 359 G HA3 -0.254 3.729 3.960 0.038 0.000 0.220 359 G C 1.637 176.534 174.900 -0.005 0.000 1.136 359 G CA 1.279 46.381 45.100 0.002 0.000 0.759 359 G HN 0.430 nan 8.290 nan 0.000 0.562 360 K N 0.298 120.691 120.400 -0.011 0.000 2.031 360 K HA 0.141 4.484 4.320 0.038 0.000 0.205 360 K C 2.582 179.175 176.600 -0.012 0.000 1.049 360 K CA 0.374 56.653 56.287 -0.013 0.000 0.939 360 K CB -0.916 31.570 32.500 -0.022 0.000 0.717 360 K HN 0.344 nan 8.250 nan 0.000 0.438 361 L N 0.809 122.023 121.223 -0.014 0.000 2.021 361 L HA -0.260 4.103 4.340 0.038 0.000 0.215 361 L C 2.507 179.374 176.870 -0.005 0.000 1.074 361 L CA 1.676 56.509 54.840 -0.011 0.000 0.760 361 L CB -0.674 41.379 42.059 -0.010 0.000 0.889 361 L HN 0.150 nan 8.230 nan 0.000 0.433 362 A N -0.405 122.414 122.820 -0.002 0.000 1.969 362 A HA -0.067 4.276 4.320 0.038 0.000 0.218 362 A C 2.269 179.852 177.584 -0.001 0.000 1.169 362 A CA 1.525 53.562 52.037 0.000 0.000 0.635 362 A CB -0.545 18.456 19.000 0.002 0.000 0.810 362 A HN 0.421 nan 8.150 nan 0.000 0.445 363 A N -1.617 121.202 122.820 -0.002 0.000 2.259 363 A HA 0.422 4.764 4.320 0.038 0.000 0.208 363 A C 1.702 179.286 177.584 -0.001 0.000 1.201 363 A CA 1.076 53.111 52.037 -0.002 0.000 0.824 363 A CB -1.066 17.932 19.000 -0.004 0.000 0.838 363 A HN 1.849 nan 8.150 nan 0.000 0.485 364 G N -1.209 107.590 108.800 -0.002 0.000 2.153 364 G HA2 -0.210 3.772 3.960 0.038 0.000 0.252 364 G HA3 -0.210 3.772 3.960 0.038 0.000 0.252 364 G C 0.212 175.113 174.900 0.002 0.000 0.994 364 G CA 0.264 45.363 45.100 -0.001 0.000 0.698 364 G HN 0.723 nan 8.290 nan 0.000 0.521 365 V N 1.747 121.662 119.914 0.002 0.000 2.555 365 V HA 0.270 4.413 4.120 0.038 0.000 0.286 365 V C 0.797 176.894 176.094 0.004 0.000 1.044 365 V CA -0.483 61.823 62.300 0.010 0.000 1.026 365 V CB 1.327 33.153 31.823 0.005 0.000 0.981 365 V HN 0.246 nan 8.190 nan 0.000 0.480 366 K N 4.413 124.824 120.400 0.018 0.000 2.379 366 K HA 0.335 4.678 4.320 0.038 0.000 0.284 366 K C -0.606 175.982 176.600 -0.020 0.000 1.044 366 K CA -0.046 56.234 56.287 -0.011 0.000 0.974 366 K CB 1.163 33.647 32.500 -0.026 0.000 0.962 366 K HN 0.404 nan 8.250 nan 0.000 0.474 367 V N 3.942 123.821 119.914 -0.058 0.000 2.487 367 V HA 0.394 4.537 4.120 0.038 0.000 0.298 367 V C 0.096 176.116 176.094 -0.122 0.000 1.028 367 V CA -0.934 61.323 62.300 -0.072 0.000 0.860 367 V CB 1.835 33.620 31.823 -0.063 0.000 0.991 367 V HN 0.649 nan 8.190 nan 0.000 0.427 368 R N 4.908 125.321 120.500 -0.145 0.000 2.393 368 R HA 0.716 5.079 4.340 0.038 0.000 0.315 368 R C -1.562 174.677 176.300 -0.101 0.000 0.952 368 R CA -0.559 55.410 56.100 -0.218 0.000 0.842 368 R CB 1.288 31.359 30.300 -0.382 0.000 1.163 368 R HN 0.726 nan 8.270 nan 0.000 0.450 369 I N 4.920 125.460 120.570 -0.050 0.000 2.389 369 I HA 0.326 4.519 4.170 0.038 0.000 0.288 369 I C -0.729 175.452 176.117 0.106 0.000 0.999 369 I CA -1.053 60.259 61.300 0.021 0.000 1.129 369 I CB 2.114 40.118 38.000 0.007 0.000 1.288 369 I HN 0.278 nan 8.210 nan 0.000 0.444 370 V N 7.086 127.090 119.914 0.150 0.000 2.448 370 V HA 0.539 4.681 4.120 0.038 0.000 0.295 370 V C -0.045 176.163 176.094 0.191 0.000 1.025 370 V CA -0.607 61.831 62.300 0.230 0.000 0.859 370 V CB 2.046 34.070 31.823 0.335 0.000 0.988 370 V HN 0.545 nan 8.190 nan 0.000 0.431 371 V N 1.759 121.783 119.914 0.184 0.000 3.126 371 V HA 0.725 4.867 4.120 0.038 0.000 0.314 371 V C 0.184 176.378 176.094 0.167 0.000 1.138 371 V CA -0.813 61.578 62.300 0.153 0.000 1.034 371 V CB 1.999 33.901 31.823 0.132 0.000 1.075 371 V HN 0.686 nan 8.190 nan 0.000 0.442 372 S N 1.153 116.937 115.700 0.140 0.000 2.552 372 S HA 0.053 4.546 4.470 0.038 0.000 0.289 372 S C 0.057 174.753 174.600 0.160 0.000 1.304 372 S CA 0.044 58.337 58.200 0.155 0.000 1.063 372 S CB -0.183 63.116 63.200 0.166 0.000 0.848 372 S HN 1.081 nan 8.310 nan 0.000 0.499 373 D N 4.625 125.132 120.400 0.178 0.000 2.487 373 D HA 0.091 4.754 4.640 0.038 0.000 0.243 373 D C -1.492 174.876 176.300 0.114 0.000 1.154 373 D CA -1.624 52.461 54.000 0.143 0.000 0.876 373 D CB 1.114 42.007 40.800 0.156 0.000 1.161 373 D HN 0.222 nan 8.370 nan 0.000 0.478 374 P HA -0.179 nan 4.420 nan 0.000 0.218 374 P C 0.925 178.262 177.300 0.061 0.000 1.146 374 P CA 1.697 64.837 63.100 0.067 0.000 0.820 374 P CB 0.021 31.752 31.700 0.052 0.000 0.778 375 A N -0.576 122.280 122.820 0.060 0.000 2.194 375 A HA -0.213 4.130 4.320 0.038 0.000 0.220 375 A C 1.910 179.531 177.584 0.062 0.000 1.162 375 A CA 1.475 53.541 52.037 0.049 0.000 0.674 375 A CB -1.158 17.865 19.000 0.037 0.000 0.789 375 A HN 0.227 nan 8.150 nan 0.000 0.470 376 N N -0.368 118.387 118.700 0.092 0.000 2.398 376 N HA 0.009 4.772 4.740 0.038 0.000 0.188 376 N C 0.272 175.845 175.510 0.106 0.000 1.122 376 N CA -0.016 53.111 53.050 0.127 0.000 0.866 376 N CB 0.017 38.625 38.487 0.201 0.000 0.970 376 N HN 0.464 nan 8.380 nan 0.000 0.462 377 R N 0.728 121.266 120.500 0.064 0.000 2.638 377 R HA 0.163 4.526 4.340 0.038 0.000 0.268 377 R C 0.576 176.891 176.300 0.026 0.000 1.006 377 R CA 0.725 56.845 56.100 0.034 0.000 1.088 377 R CB 0.263 30.574 30.300 0.019 0.000 0.950 377 R HN 0.213 nan 8.270 nan 0.000 0.419 378 G N 0.240 109.043 108.800 0.006 0.000 2.337 378 G HA2 0.317 4.300 3.960 0.038 0.000 0.298 378 G HA3 0.317 4.300 3.960 0.038 0.000 0.298 378 G C -1.754 173.132 174.900 -0.024 0.000 1.335 378 G CA -0.417 44.683 45.100 -0.001 0.000 0.875 378 G HN 0.713 nan 8.290 nan 0.000 0.579 379 A N -0.224 122.583 122.820 -0.022 0.000 2.450 379 A HA 0.610 4.953 4.320 0.038 0.000 0.255 379 A C 0.953 178.501 177.584 -0.059 0.000 1.096 379 A CA -0.063 51.957 52.037 -0.028 0.000 0.778 379 A CB 0.307 19.300 19.000 -0.012 0.000 1.031 379 A HN 1.744 nan 8.150 nan 0.000 0.494 380 V N 2.630 122.510 119.914 -0.056 0.000 2.928 380 V HA 0.275 4.418 4.120 0.038 0.000 0.307 380 V C 1.886 177.930 176.094 -0.083 0.000 1.105 380 V CA 1.830 64.092 62.300 -0.064 0.000 1.223 380 V CB 0.106 31.947 31.823 0.031 0.000 0.930 380 V HN 1.975 nan 8.190 nan 0.000 0.499 381 G N 3.813 112.542 108.800 -0.118 0.000 2.302 381 G HA2 -0.302 3.680 3.960 0.038 0.000 0.263 381 G HA3 -0.302 3.680 3.960 0.038 0.000 0.263 381 G C 0.754 175.494 174.900 -0.267 0.000 0.995 381 G CA 0.639 45.486 45.100 -0.421 0.000 0.622 381 G HN 0.837 nan 8.290 nan 0.000 0.538 382 S N -0.019 115.614 115.700 -0.112 0.000 2.711 382 S HA 0.501 4.994 4.470 0.038 0.000 0.247 382 S C 1.422 176.033 174.600 0.019 0.000 1.079 382 S CA 0.974 59.150 58.200 -0.041 0.000 1.050 382 S CB 0.456 63.642 63.200 -0.023 0.000 0.885 382 S HN 2.104 nan 8.310 nan 0.000 0.498 383 G N 1.114 109.950 108.800 0.061 0.000 2.159 383 G HA2 -0.165 3.818 3.960 0.038 0.000 0.227 383 G HA3 -0.165 3.818 3.960 0.038 0.000 0.227 383 G C 0.300 175.286 174.900 0.144 0.000 0.986 383 G CA -0.422 44.799 45.100 0.202 0.000 0.651 383 G HN 0.767 nan 8.290 nan 0.000 0.523 384 G N -0.162 108.570 108.800 -0.113 0.000 2.396 384 G HA2 0.476 4.458 3.960 0.038 0.000 0.292 384 G HA3 0.476 4.458 3.960 0.038 0.000 0.292 384 G C -0.128 174.588 174.900 -0.308 0.000 1.106 384 G CA -0.254 44.770 45.100 -0.127 0.000 1.055 384 G HN 0.401 nan 8.290 nan 0.000 0.424 385 Y N 1.480 121.831 120.300 0.084 0.000 2.666 385 Y HA 0.472 5.045 4.550 0.038 0.000 0.264 385 Y C 0.755 176.703 175.900 0.080 0.000 1.054 385 Y CA -0.452 57.713 58.100 0.108 0.000 1.121 385 Y CB 0.983 39.515 38.460 0.120 0.000 1.190 385 Y HN 0.562 nan 8.280 nan 0.000 0.587 386 S N 0.133 115.909 115.700 0.125 0.000 2.552 386 S HA 0.406 4.899 4.470 0.038 0.000 0.272 386 S C -0.597 173.994 174.600 -0.014 0.000 1.150 386 S CA -0.447 57.792 58.200 0.066 0.000 0.849 386 S CB 1.486 64.739 63.200 0.088 0.000 1.113 386 S HN 0.359 nan 8.310 nan 0.000 0.458 387 Q N 2.033 121.800 119.800 -0.053 0.000 2.086 387 Q HA 0.381 4.743 4.340 0.038 0.000 0.220 387 Q C -0.229 175.743 176.000 -0.047 0.000 0.792 387 Q CA -0.042 55.706 55.803 -0.092 0.000 1.062 387 Q CB 0.665 29.275 28.738 -0.213 0.000 1.198 387 Q HN 0.745 nan 8.270 nan 0.000 0.466 388 I N -4.110 116.454 120.570 -0.010 0.000 2.785 388 I HA 0.462 4.655 4.170 0.038 0.000 0.302 388 I C 0.391 176.518 176.117 0.017 0.000 1.069 388 I CA -1.019 60.286 61.300 0.008 0.000 1.045 388 I CB 1.984 40.000 38.000 0.027 0.000 1.236 388 I HN -0.245 nan 8.210 nan 0.000 0.429 389 K N 1.417 121.826 120.400 0.016 0.000 2.211 389 K HA 0.141 4.484 4.320 0.038 0.000 0.201 389 K C 0.654 177.269 176.600 0.024 0.000 1.052 389 K CA 0.785 57.083 56.287 0.018 0.000 0.973 389 K CB 0.288 32.795 32.500 0.012 0.000 0.766 389 K HN 0.752 nan 8.250 nan 0.000 0.466 390 S N -0.670 115.046 115.700 0.027 0.000 2.579 390 S HA 0.281 4.773 4.470 0.038 0.000 0.272 390 S C 0.575 175.198 174.600 0.039 0.000 1.141 390 S CA -0.781 57.438 58.200 0.031 0.000 0.843 390 S CB 1.141 64.356 63.200 0.024 0.000 1.122 390 S HN 0.081 nan 8.310 nan 0.000 0.468 391 L N 1.776 123.027 121.223 0.046 0.000 2.265 391 L HA -0.030 4.332 4.340 0.038 0.000 0.215 391 L C 1.594 178.492 176.870 0.048 0.000 1.117 391 L CA 0.925 55.799 54.840 0.056 0.000 0.782 391 L CB -0.426 41.671 42.059 0.064 0.000 0.914 391 L HN 0.694 nan 8.230 nan 0.000 0.441 392 D N 0.384 120.805 120.400 0.035 0.000 2.182 392 D HA -0.204 4.459 4.640 0.038 0.000 0.201 392 D C 1.912 178.223 176.300 0.017 0.000 0.986 392 D CA 1.061 55.076 54.000 0.025 0.000 0.847 392 D CB -0.026 40.785 40.800 0.018 0.000 0.942 392 D HN 0.459 nan 8.370 nan 0.000 0.467 393 E N -0.113 120.098 120.200 0.019 0.000 2.267 393 E HA -0.134 4.238 4.350 0.038 0.000 0.197 393 E C 2.051 178.656 176.600 0.008 0.000 0.998 393 E CA 0.478 56.881 56.400 0.005 0.000 0.830 393 E CB 0.114 29.823 29.700 0.015 0.000 0.751 393 E HN 0.395 nan 8.360 nan 0.000 0.491 394 I N 0.119 120.722 120.570 0.055 0.000 2.512 394 I HA -0.173 4.020 4.170 0.038 0.000 0.247 394 I C 2.514 178.695 176.117 0.106 0.000 1.094 394 I CA 0.702 62.073 61.300 0.118 0.000 1.427 394 I CB -0.139 37.936 38.000 0.125 0.000 1.149 394 I HN 0.053 nan 8.210 nan 0.000 0.438 395 S N 0.508 116.245 115.700 0.062 0.000 2.382 395 S HA -0.181 4.311 4.470 0.038 0.000 0.228 395 S C 1.543 176.157 174.600 0.023 0.000 1.027 395 S CA 1.294 59.522 58.200 0.046 0.000 0.991 395 S CB -0.537 62.685 63.200 0.038 0.000 0.823 395 S HN 0.343 nan 8.310 nan 0.000 0.469 396 D N 1.966 122.366 120.400 -0.000 0.000 2.117 396 D HA -0.049 4.613 4.640 0.038 0.000 0.197 396 D C 2.055 178.312 176.300 -0.071 0.000 0.987 396 D CA 1.747 55.731 54.000 -0.027 0.000 0.829 396 D CB -0.998 39.785 40.800 -0.028 0.000 0.961 396 D HN 0.466 nan 8.370 nan 0.000 0.460 397 T N 1.219 115.687 114.554 -0.143 0.000 2.788 397 T HA -0.076 4.297 4.350 0.038 0.000 0.268 397 T C 2.226 176.834 174.700 -0.154 0.000 1.044 397 T CA 0.518 62.414 62.100 -0.341 0.000 1.139 397 T CB -0.214 68.124 68.868 -0.882 0.000 0.867 397 T HN 0.125 nan 8.240 nan 0.000 0.454 398 L N 0.337 121.588 121.223 0.047 0.000 2.109 398 L HA -0.014 4.349 4.340 0.038 0.000 0.207 398 L C 2.898 179.793 176.870 0.042 0.000 1.086 398 L CA 1.081 55.991 54.840 0.118 0.000 0.760 398 L CB -0.394 41.728 42.059 0.106 0.000 0.910 398 L HN 0.179 nan 8.230 nan 0.000 0.437 399 R N -0.164 120.345 120.500 0.015 0.000 2.082 399 R HA -0.183 4.179 4.340 0.038 0.000 0.234 399 R C 2.178 178.479 176.300 0.001 0.000 1.136 399 R CA 2.291 58.395 56.100 0.007 0.000 0.935 399 R CB -0.513 29.788 30.300 0.002 0.000 0.842 399 R HN 0.218 nan 8.270 nan 0.000 0.430 400 T N 1.483 116.027 114.554 -0.016 0.000 2.620 400 T HA -0.196 4.176 4.350 0.038 0.000 0.267 400 T C 1.822 176.524 174.700 0.003 0.000 1.044 400 T CA 1.819 63.910 62.100 -0.015 0.000 1.161 400 T CB -0.254 68.593 68.868 -0.036 0.000 0.862 400 T HN 0.310 nan 8.240 nan 0.000 0.438 401 R N 0.770 121.275 120.500 0.009 0.000 2.189 401 R HA 0.210 4.573 4.340 0.038 0.000 0.218 401 R C 2.450 178.772 176.300 0.036 0.000 1.074 401 R CA 0.527 56.650 56.100 0.039 0.000 0.991 401 R CB -0.973 29.374 30.300 0.079 0.000 0.883 401 R HN 0.414 nan 8.270 nan 0.000 0.457 402 L N 0.026 121.266 121.223 0.029 0.000 2.072 402 L HA -0.102 4.261 4.340 0.038 0.000 0.205 402 L C 2.350 179.230 176.870 0.016 0.000 1.079 402 L CA 0.713 55.566 54.840 0.022 0.000 0.752 402 L CB -0.324 41.746 42.059 0.019 0.000 0.906 402 L HN -0.105 nan 8.230 nan 0.000 0.436 403 V N 0.115 120.037 119.914 0.014 0.000 2.233 403 V HA -0.356 3.787 4.120 0.038 0.000 0.247 403 V C 2.739 178.840 176.094 0.013 0.000 1.050 403 V CA 1.974 64.280 62.300 0.011 0.000 1.010 403 V CB -0.916 30.912 31.823 0.008 0.000 0.637 403 V HN 0.519 nan 8.190 nan 0.000 0.444 404 A N -1.019 121.811 122.820 0.016 0.000 1.997 404 A HA -0.269 4.074 4.320 0.038 0.000 0.221 404 A C 2.212 179.806 177.584 0.017 0.000 1.172 404 A CA 2.506 54.554 52.037 0.018 0.000 0.645 404 A CB -0.512 18.503 19.000 0.024 0.000 0.813 404 A HN 0.516 nan 8.150 nan 0.000 0.454 405 L N -1.073 120.161 121.223 0.018 0.000 2.168 405 L HA -0.023 4.339 4.340 0.038 0.000 0.203 405 L C 2.720 179.596 176.870 0.011 0.000 1.078 405 L CA 1.779 56.629 54.840 0.016 0.000 0.780 405 L CB 0.015 42.086 42.059 0.020 0.000 0.939 405 L HN 0.560 nan 8.230 nan 0.000 0.451 406 T N -4.761 109.800 114.554 0.010 0.000 3.057 406 T HA 0.275 4.648 4.350 0.038 0.000 0.254 406 T C 1.506 176.209 174.700 0.006 0.000 1.094 406 T CA 0.524 62.628 62.100 0.007 0.000 1.088 406 T CB 0.568 69.441 68.868 0.007 0.000 0.934 406 T HN 0.479 nan 8.240 nan 0.000 0.497 407 G N 2.192 110.996 108.800 0.007 0.000 2.640 407 G HA2 -0.286 3.697 3.960 0.038 0.000 0.226 407 G HA3 -0.286 3.697 3.960 0.038 0.000 0.226 407 G C -0.086 174.817 174.900 0.005 0.000 1.222 407 G CA 0.321 45.424 45.100 0.006 0.000 0.729 407 G HN 1.017 nan 8.290 nan 0.000 0.516 408 D N -0.276 120.127 120.400 0.005 0.000 2.248 408 D HA 0.516 5.179 4.640 0.038 0.000 0.246 408 D C 0.923 177.226 176.300 0.005 0.000 1.027 408 D CA -0.158 53.844 54.000 0.004 0.000 0.853 408 D CB 0.878 41.681 40.800 0.004 0.000 1.243 408 D HN 0.055 nan 8.370 nan 0.000 0.462 409 N N 1.391 120.094 118.700 0.005 0.000 2.459 409 N HA -0.169 4.594 4.740 0.038 0.000 0.181 409 N C 0.958 176.471 175.510 0.005 0.000 1.046 409 N CA 0.429 53.482 53.050 0.005 0.000 0.904 409 N CB 0.293 38.783 38.487 0.004 0.000 0.964 409 N HN 0.539 nan 8.380 nan 0.000 0.444 410 E N 1.515 121.718 120.200 0.004 0.000 2.051 410 E HA -0.040 4.332 4.350 0.038 0.000 0.189 410 E C 1.785 178.388 176.600 0.004 0.000 0.979 410 E CA 1.171 57.573 56.400 0.004 0.000 0.803 410 E CB -0.100 29.602 29.700 0.003 0.000 0.761 410 E HN 0.154 nan 8.360 nan 0.000 0.451 411 K N -0.159 120.243 120.400 0.004 0.000 2.044 411 K HA -0.158 4.184 4.320 0.038 0.000 0.210 411 K C 2.044 178.647 176.600 0.005 0.000 1.049 411 K CA 1.420 57.709 56.287 0.004 0.000 0.927 411 K CB -0.316 32.186 32.500 0.004 0.000 0.713 411 K HN 0.178 nan 8.250 nan 0.000 0.443 412 A N 0.386 123.209 122.820 0.006 0.000 1.917 412 A HA -0.228 4.115 4.320 0.038 0.000 0.219 412 A C 2.197 179.785 177.584 0.007 0.000 1.182 412 A CA 2.313 54.354 52.037 0.007 0.000 0.633 412 A CB -0.704 18.301 19.000 0.008 0.000 0.819 412 A HN 0.280 nan 8.150 nan 0.000 0.448 413 S N -1.247 114.457 115.700 0.006 0.000 2.371 413 S HA -0.092 4.400 4.470 0.038 0.000 0.224 413 S C 2.066 176.670 174.600 0.006 0.000 1.029 413 S CA 1.071 59.276 58.200 0.007 0.000 0.978 413 S CB -0.269 62.934 63.200 0.006 0.000 0.833 413 S HN 0.597 nan 8.310 nan 0.000 0.466 414 R N 1.042 121.544 120.500 0.005 0.000 2.094 414 R HA -0.148 4.215 4.340 0.038 0.000 0.239 414 R C 2.518 178.820 176.300 0.003 0.000 1.137 414 R CA 1.645 57.747 56.100 0.004 0.000 0.943 414 R CB -0.546 29.756 30.300 0.003 0.000 0.850 414 R HN 0.408 nan 8.270 nan 0.000 0.433 415 A N 0.476 123.298 122.820 0.003 0.000 1.930 415 A HA -0.139 4.204 4.320 0.038 0.000 0.217 415 A C 2.039 179.624 177.584 0.001 0.000 1.175 415 A CA 1.054 53.092 52.037 0.001 0.000 0.627 415 A CB -0.372 18.629 19.000 0.002 0.000 0.815 415 A HN 0.279 nan 8.150 nan 0.000 0.443 416 L N -0.782 120.443 121.223 0.005 0.000 2.095 416 L HA -0.081 4.282 4.340 0.038 0.000 0.204 416 L C 2.283 179.157 176.870 0.008 0.000 1.080 416 L CA 2.032 56.876 54.840 0.006 0.000 0.759 416 L CB -0.368 41.697 42.059 0.011 0.000 0.914 416 L HN 0.447 nan 8.230 nan 0.000 0.439 417 c N -0.673 117.933 118.600 0.009 0.000 2.485 417 c HA 0.211 4.803 4.570 0.038 0.000 0.278 417 c C 2.577 176.673 174.090 0.010 0.000 1.356 417 c CA 0.241 56.578 56.329 0.012 0.000 1.747 417 c CB -1.513 41.004 42.510 0.012 0.000 2.001 417 c HN 0.694 nan 8.230 nan 0.000 0.501 418 G N 0.461 109.264 108.800 0.005 0.000 2.551 418 G HA2 -0.069 3.913 3.960 0.038 0.000 0.216 418 G HA3 -0.069 3.913 3.960 0.038 0.000 0.216 418 G C 1.198 176.094 174.900 -0.006 0.000 1.137 418 G CA 0.506 45.607 45.100 0.001 0.000 0.798 418 G HN 0.525 nan 8.290 nan 0.000 0.536 419 N N -0.832 117.862 118.700 -0.011 0.000 2.143 419 N HA 0.178 4.941 4.740 0.038 0.000 0.222 419 N C -0.622 174.866 175.510 -0.036 0.000 1.264 419 N CA -0.229 52.808 53.050 -0.023 0.000 0.897 419 N CB 1.441 39.917 38.487 -0.017 0.000 1.092 419 N HN 0.257 nan 8.380 nan 0.000 0.516 420 L N 1.409 122.616 121.223 -0.027 0.000 2.329 420 L HA 0.432 4.795 4.340 0.038 0.000 0.279 420 L C -0.813 176.037 176.870 -0.033 0.000 1.014 420 L CA -0.295 54.523 54.840 -0.035 0.000 0.814 420 L CB 1.602 43.653 42.059 -0.013 0.000 1.257 420 L HN -0.090 nan 8.230 nan 0.000 0.424 421 Q N 4.604 124.352 119.800 -0.087 0.000 2.331 421 Q HA 0.641 5.004 4.340 0.038 0.000 0.267 421 Q C -1.631 174.373 176.000 0.007 0.000 1.006 421 Q CA -0.649 55.119 55.803 -0.059 0.000 0.818 421 Q CB 2.599 31.089 28.738 -0.414 0.000 1.276 421 Q HN 0.592 nan 8.270 nan 0.000 0.450 422 L N 2.157 123.471 121.223 0.151 0.000 2.438 422 L HA 0.917 5.279 4.340 0.038 0.000 0.270 422 L C -1.821 175.186 176.870 0.227 0.000 0.972 422 L CA -0.206 54.724 54.840 0.150 0.000 0.831 422 L CB 1.898 44.012 42.059 0.092 0.000 1.273 422 L HN 0.718 nan 8.230 nan 0.000 0.405 423 A N 2.475 125.444 122.820 0.248 0.000 2.610 423 A HA 0.822 5.165 4.320 0.038 0.000 0.291 423 A C -1.062 176.633 177.584 0.185 0.000 1.086 423 A CA -0.056 52.111 52.037 0.217 0.000 0.677 423 A CB 1.442 20.595 19.000 0.255 0.000 1.278 423 A HN 0.977 nan 8.150 nan 0.000 0.414 424 S N -0.089 115.690 115.700 0.132 0.000 2.651 424 S HA 0.740 5.233 4.470 0.038 0.000 0.291 424 S C -0.312 174.379 174.600 0.153 0.000 1.141 424 S CA -0.451 57.839 58.200 0.151 0.000 1.027 424 S CB 0.974 64.246 63.200 0.119 0.000 1.043 424 S HN 1.473 nan 8.310 nan 0.000 0.530 425 F N 2.316 122.281 119.950 0.026 0.000 2.429 425 F HA 0.560 5.109 4.527 0.037 0.000 0.348 425 F C 0.446 176.131 175.800 -0.193 0.000 1.109 425 F CA -0.366 57.615 58.000 -0.032 0.000 1.232 425 F CB 0.640 39.617 39.000 -0.038 0.000 1.157 425 F HN 0.641 nan 8.300 nan 0.000 0.564 426 R N 2.928 122.722 120.500 -1.176 0.000 2.808 426 R HA 0.359 4.721 4.340 0.038 0.000 0.272 426 R C -0.248 175.014 176.300 -1.730 0.000 0.995 426 R CA -0.274 54.816 56.100 -1.683 0.000 0.917 426 R CB 1.676 31.425 30.300 -0.919 0.000 1.217 426 R HN 0.677 nan 8.270 nan 0.000 0.471 427 S N -1.530 113.110 115.700 -1.767 0.000 2.559 427 S HA 0.104 4.597 4.470 0.038 0.000 0.226 427 S C 0.500 174.484 174.600 -1.027 0.000 1.000 427 S CA -0.152 57.482 58.200 -0.943 0.000 0.948 427 S CB 0.189 62.838 63.200 -0.917 0.000 0.870 427 S HN 0.649 nan 8.310 nan 0.000 0.497 428 S N 0.133 115.199 115.700 -1.056 0.000 2.776 428 S HA 0.503 4.996 4.470 0.038 0.000 0.292 428 S C -0.500 173.835 174.600 -0.442 0.000 1.187 428 S CA -0.559 57.045 58.200 -0.993 0.000 0.834 428 S CB 0.574 63.521 63.200 -0.422 0.000 1.199 428 S HN -0.101 nan 8.310 nan 0.000 0.514 429 D N 1.128 121.436 120.400 -0.153 0.000 2.264 429 D HA 0.184 4.847 4.640 0.038 0.000 0.208 429 D C 1.062 177.353 176.300 -0.015 0.000 0.966 429 D CA 1.152 55.167 54.000 0.025 0.000 0.864 429 D CB -0.531 40.309 40.800 0.066 0.000 0.933 429 D HN 0.769 nan 8.370 nan 0.000 0.499 430 A N 0.385 123.188 122.820 -0.028 0.000 2.445 430 A HA 0.407 4.749 4.320 0.038 0.000 0.242 430 A C 1.416 179.024 177.584 0.040 0.000 1.075 430 A CA 0.429 52.464 52.037 -0.003 0.000 0.777 430 A CB 0.684 19.677 19.000 -0.012 0.000 1.013 430 A HN 0.132 nan 8.150 nan 0.000 0.493 431 A N 1.967 124.796 122.820 0.015 0.000 2.066 431 A HA 0.145 4.488 4.320 0.038 0.000 0.218 431 A C 0.990 178.578 177.584 0.005 0.000 1.157 431 A CA 1.570 53.629 52.037 0.037 0.000 0.670 431 A CB -0.269 18.728 19.000 -0.005 0.000 0.804 431 A HN 0.849 nan 8.150 nan 0.000 0.453 432 K N -3.254 117.030 120.400 -0.193 0.000 2.430 432 K HA 0.428 4.771 4.320 0.038 0.000 0.268 432 K C -1.368 174.805 176.600 -0.712 0.000 1.043 432 K CA -1.161 54.769 56.287 -0.596 0.000 0.899 432 K CB 0.475 32.793 32.500 -0.303 0.000 1.472 432 K HN 0.158 nan 8.250 nan 0.000 0.451 433 W N 0.354 121.246 121.300 -0.679 0.000 2.170 433 W HA 0.143 4.825 4.660 0.036 0.000 0.342 433 W C 1.555 177.961 176.519 -0.189 0.000 1.294 433 W CA 0.151 57.267 57.345 -0.381 0.000 1.246 433 W CB 0.550 29.864 29.460 -0.243 0.000 1.156 433 W HN 0.893 nan 8.180 nan 0.000 0.572 434 A N 1.866 124.807 122.820 0.201 0.000 2.042 434 A HA -0.311 4.031 4.320 0.038 0.000 0.222 434 A C 1.616 179.247 177.584 0.078 0.000 1.167 434 A CA 2.159 54.258 52.037 0.104 0.000 0.649 434 A CB -0.754 18.307 19.000 0.102 0.000 0.809 434 A HN 0.726 nan 8.150 nan 0.000 0.457 435 D N -2.321 118.142 120.400 0.106 0.000 2.328 435 D HA 0.279 4.942 4.640 0.038 0.000 0.226 435 D C 1.181 177.496 176.300 0.024 0.000 1.066 435 D CA 0.931 54.969 54.000 0.063 0.000 0.861 435 D CB -0.649 40.202 40.800 0.084 0.000 0.912 435 D HN 0.798 nan 8.370 nan 0.000 0.521 436 G N 0.106 108.913 108.800 0.012 0.000 2.234 436 G HA2 -0.289 3.694 3.960 0.038 0.000 0.260 436 G HA3 -0.289 3.694 3.960 0.038 0.000 0.260 436 G C 0.269 175.129 174.900 -0.067 0.000 0.987 436 G CA 0.158 45.238 45.100 -0.033 0.000 0.625 436 G HN 0.359 nan 8.290 nan 0.000 0.532 437 K N 1.823 122.172 120.400 -0.084 0.000 2.326 437 K HA 0.400 4.743 4.320 0.038 0.000 0.275 437 K C -2.052 174.516 176.600 -0.054 0.000 1.018 437 K CA -1.881 54.326 56.287 -0.134 0.000 0.962 437 K CB 0.928 33.176 32.500 -0.420 0.000 0.953 437 K HN 0.271 nan 8.250 nan 0.000 0.475 438 P HA 0.091 nan 4.420 nan 0.000 0.274 438 P C -0.665 176.611 177.300 -0.041 0.000 1.237 438 P CA -0.285 62.751 63.100 -0.106 0.000 0.793 438 P CB 0.235 31.939 31.700 0.006 0.000 0.977 439 Y N -0.054 120.209 120.300 -0.063 0.000 2.544 439 Y HA 0.298 4.871 4.550 0.038 0.000 0.330 439 Y C 1.253 177.254 175.900 0.168 0.000 1.136 439 Y CA 0.026 58.142 58.100 0.027 0.000 1.417 439 Y CB -0.273 38.135 38.460 -0.087 0.000 1.229 439 Y HN 0.332 nan 8.280 nan 0.000 0.532 440 A N 4.846 127.844 122.820 0.296 0.000 2.274 440 A HA 0.596 4.939 4.320 0.038 0.000 0.309 440 A C -1.180 176.338 177.584 -0.111 0.000 1.226 440 A CA -0.622 51.435 52.037 0.034 0.000 0.853 440 A CB 0.488 19.330 19.000 -0.262 0.000 1.146 440 A HN 0.684 nan 8.150 nan 0.000 0.518 441 L N 2.280 123.425 121.223 -0.129 0.000 2.322 441 L HA 0.443 4.806 4.340 0.038 0.000 0.281 441 L C 0.470 177.307 176.870 -0.055 0.000 1.014 441 L CA 0.065 54.692 54.840 -0.355 0.000 0.815 441 L CB 1.149 42.907 42.059 -0.502 0.000 1.247 441 L HN 0.840 nan 8.230 nan 0.000 0.421 442 H N 3.565 122.545 119.070 -0.149 0.000 3.078 442 H HA 0.236 4.814 4.556 0.037 0.000 0.263 442 H C -0.307 175.143 175.328 0.203 0.000 1.177 442 H CA -0.347 55.770 56.048 0.115 0.000 1.128 442 H CB 0.271 30.138 29.762 0.175 0.000 1.623 442 H HN 0.753 nan 8.280 nan 0.000 0.592 443 H N 1.667 120.744 119.070 0.013 0.000 3.092 443 H HA -0.071 4.508 4.556 0.040 0.000 0.332 443 H C -0.100 175.226 175.328 -0.003 0.000 1.029 443 H CA 0.484 56.538 56.048 0.009 0.000 1.376 443 H CB 0.806 30.581 29.762 0.021 0.000 1.329 443 H HN 0.100 nan 8.280 nan 0.000 0.598 444 K N 3.104 123.594 120.400 0.151 0.000 2.606 444 K HA 0.250 4.593 4.320 0.038 0.000 0.196 444 K C -1.448 175.294 176.600 0.238 0.000 1.048 444 K CA -0.337 56.045 56.287 0.158 0.000 1.017 444 K CB 0.787 33.379 32.500 0.153 0.000 1.413 444 K HN 0.195 nan 8.250 nan 0.000 0.568 445 L N 0.834 122.178 121.223 0.201 0.000 2.386 445 L HA 0.683 5.046 4.340 0.038 0.000 0.271 445 L C -1.418 175.560 176.870 0.181 0.000 0.993 445 L CA -0.886 54.071 54.840 0.196 0.000 0.819 445 L CB 2.063 44.164 42.059 0.069 0.000 1.294 445 L HN 0.168 nan 8.230 nan 0.000 0.414 446 V N 3.421 123.461 119.914 0.211 0.000 2.623 446 V HA 0.705 4.848 4.120 0.038 0.000 0.304 446 V C -0.611 175.577 176.094 0.156 0.000 1.054 446 V CA -0.407 61.971 62.300 0.129 0.000 0.882 446 V CB 1.834 33.697 31.823 0.067 0.000 1.002 446 V HN 0.848 nan 8.190 nan 0.000 0.424 447 S N 3.353 119.110 115.700 0.094 0.000 2.542 447 S HA 0.887 5.380 4.470 0.038 0.000 0.293 447 S C -1.422 173.162 174.600 -0.026 0.000 1.089 447 S CA -0.447 57.809 58.200 0.095 0.000 0.961 447 S CB 1.953 65.202 63.200 0.083 0.000 1.062 447 S HN 0.519 nan 8.310 nan 0.000 0.483 448 V N 4.036 123.886 119.914 -0.107 0.000 2.569 448 V HA 0.403 4.546 4.120 0.038 0.000 0.301 448 V C -0.947 174.907 176.094 -0.400 0.000 1.044 448 V CA -0.463 61.686 62.300 -0.252 0.000 0.874 448 V CB 1.756 33.445 31.823 -0.222 0.000 1.002 448 V HN 1.086 nan 8.190 nan 0.000 0.424 449 D N 2.840 122.858 120.400 -0.637 0.000 2.983 449 D HA -0.172 4.490 4.640 0.038 0.000 0.225 449 D C 0.487 176.644 176.300 -0.238 0.000 1.174 449 D CA 1.395 55.077 54.000 -0.531 0.000 0.831 449 D CB -0.702 39.997 40.800 -0.170 0.000 1.104 449 D HN 0.899 nan 8.370 nan 0.000 0.421 450 D N -1.962 118.339 120.400 -0.164 0.000 2.737 450 D HA -0.200 4.463 4.640 0.038 0.000 0.233 450 D C 0.684 176.999 176.300 0.024 0.000 1.155 450 D CA 1.533 55.556 54.000 0.039 0.000 0.667 450 D CB -1.206 39.683 40.800 0.148 0.000 1.060 450 D HN 0.486 nan 8.370 nan 0.000 0.427 451 S N -2.125 113.543 115.700 -0.054 0.000 2.918 451 S HA 0.437 4.930 4.470 0.038 0.000 0.264 451 S C 0.509 175.067 174.600 -0.070 0.000 1.078 451 S CA 0.251 58.423 58.200 -0.046 0.000 0.918 451 S CB 1.235 64.384 63.200 -0.085 0.000 0.882 451 S HN 0.477 nan 8.310 nan 0.000 0.466 452 A N 1.829 124.535 122.820 -0.191 0.000 2.386 452 A HA 0.854 5.196 4.320 0.038 0.000 0.311 452 A C -1.092 176.469 177.584 -0.038 0.000 1.068 452 A CA -0.772 51.136 52.037 -0.215 0.000 0.743 452 A CB 0.922 19.737 19.000 -0.308 0.000 1.258 452 A HN 0.518 nan 8.150 nan 0.000 0.429 453 F N -0.530 119.390 119.950 -0.050 0.000 2.645 453 F HA 0.722 5.269 4.527 0.033 0.000 0.310 453 F C -1.324 174.515 175.800 0.066 0.000 1.102 453 F CA -1.310 56.696 58.000 0.009 0.000 0.952 453 F CB 1.196 40.212 39.000 0.027 0.000 1.326 453 F HN 0.592 nan 8.300 nan 0.000 0.456 454 Y N 2.968 123.370 120.300 0.169 0.000 2.352 454 Y HA 0.809 5.383 4.550 0.041 0.000 0.339 454 Y C -1.405 174.611 175.900 0.194 0.000 0.992 454 Y CA -1.276 56.876 58.100 0.087 0.000 1.100 454 Y CB 1.272 39.733 38.460 0.002 0.000 1.192 454 Y HN 0.674 nan 8.280 nan 0.000 0.458 455 I N 6.149 126.433 120.570 -0.476 0.000 2.533 455 I HA 0.765 4.957 4.170 0.038 0.000 0.290 455 I C 0.060 175.725 176.117 -0.753 0.000 1.056 455 I CA -0.529 60.562 61.300 -0.347 0.000 1.057 455 I CB 2.049 40.075 38.000 0.044 0.000 1.240 455 I HN 0.865 nan 8.210 nan 0.000 0.423 456 G N 2.607 111.119 108.800 -0.481 0.000 2.392 456 G HA2 0.162 4.144 3.960 0.038 0.000 0.260 456 G HA3 0.162 4.144 3.960 0.038 0.000 0.260 456 G C -0.220 174.691 174.900 0.018 0.000 1.226 456 G CA 0.290 45.216 45.100 -0.290 0.000 0.913 456 G HN 0.540 nan 8.290 nan 0.000 0.483 457 S N -1.232 114.531 115.700 0.104 0.000 2.559 457 S HA 0.313 4.806 4.470 0.038 0.000 0.226 457 S C 0.540 175.251 174.600 0.184 0.000 1.000 457 S CA 0.464 58.741 58.200 0.128 0.000 0.948 457 S CB 0.383 63.640 63.200 0.095 0.000 0.870 457 S HN 0.509 nan 8.310 nan 0.000 0.497 458 K N 3.697 124.205 120.400 0.181 0.000 2.273 458 K HA 0.291 4.634 4.320 0.038 0.000 0.287 458 K C -0.495 176.030 176.600 -0.125 0.000 1.089 458 K CA -0.357 55.929 56.287 -0.003 0.000 0.909 458 K CB -0.119 32.329 32.500 -0.087 0.000 1.123 458 K HN 0.183 nan 8.250 nan 0.000 0.473 459 N N 4.264 122.800 118.700 -0.273 0.000 2.453 459 N HA -0.006 4.757 4.740 0.038 0.000 0.253 459 N C 0.716 176.003 175.510 -0.372 0.000 1.252 459 N CA 0.064 52.862 53.050 -0.419 0.000 0.917 459 N CB 0.718 38.596 38.487 -1.015 0.000 1.117 459 N HN 0.563 nan 8.380 nan 0.000 0.442 460 L N 0.994 122.086 121.223 -0.218 0.000 2.395 460 L HA -0.038 4.324 4.340 0.038 0.000 0.218 460 L C 0.460 177.317 176.870 -0.021 0.000 1.130 460 L CA 0.304 55.077 54.840 -0.113 0.000 0.826 460 L CB -0.286 41.746 42.059 -0.045 0.000 0.941 460 L HN 0.578 nan 8.230 nan 0.000 0.451 461 Y N -0.635 119.669 120.300 0.007 0.000 2.336 461 Y HA 0.422 4.995 4.550 0.038 0.000 0.331 461 Y C -2.353 173.526 175.900 -0.034 0.000 1.211 461 Y CA -4.255 53.857 58.100 0.020 0.000 1.346 461 Y CB -1.145 37.325 38.460 0.017 0.000 1.271 461 Y HN -0.163 nan 8.280 nan 0.000 0.538 462 P HA 0.248 nan 4.420 nan 0.000 0.261 462 P C -0.982 176.227 177.300 -0.151 0.000 1.183 462 P CA 0.866 63.965 63.100 -0.001 0.000 0.761 462 P CB 0.365 32.052 31.700 -0.022 0.000 0.785 463 A N 3.549 126.201 122.820 -0.281 0.000 2.577 463 A HA 0.481 4.824 4.320 0.038 0.000 0.297 463 A C -1.443 176.014 177.584 -0.213 0.000 1.060 463 A CA -0.651 51.128 52.037 -0.430 0.000 0.697 463 A CB 0.963 19.735 19.000 -0.380 0.000 1.281 463 A HN 0.399 nan 8.150 nan 0.000 0.402 464 W N 3.193 124.358 121.300 -0.224 0.000 2.164 464 W HA 0.483 5.166 4.660 0.037 0.000 0.370 464 W C -0.575 175.819 176.519 -0.208 0.000 0.747 464 W CA -0.580 56.693 57.345 -0.119 0.000 2.688 464 W CB -0.503 28.859 29.460 -0.164 0.000 1.826 464 W HN 0.448 nan 8.180 nan 0.000 0.721 465 L N 0.525 121.677 121.223 -0.118 0.000 2.365 465 L HA 0.464 4.826 4.340 0.038 0.000 0.267 465 L C 0.401 177.221 176.870 -0.083 0.000 1.033 465 L CA -1.373 53.308 54.840 -0.265 0.000 0.802 465 L CB 0.627 42.434 42.059 -0.420 0.000 1.267 465 L HN -0.267 nan 8.230 nan 0.000 0.457 466 Q N 1.177 120.942 119.800 -0.059 0.000 2.293 466 Q HA 0.272 4.635 4.340 0.038 0.000 0.263 466 Q C -1.169 174.934 176.000 0.172 0.000 1.002 466 Q CA 0.435 56.284 55.803 0.077 0.000 0.910 466 Q CB 0.617 29.383 28.738 0.047 0.000 1.185 466 Q HN 0.292 nan 8.270 nan 0.000 0.401 467 D N 0.944 121.454 120.400 0.183 0.000 2.592 467 D HA 0.626 5.289 4.640 0.038 0.000 0.263 467 D C -1.386 174.952 176.300 0.064 0.000 1.132 467 D CA -0.417 53.675 54.000 0.153 0.000 0.996 467 D CB 1.910 42.763 40.800 0.087 0.000 1.442 467 D HN 0.332 nan 8.370 nan 0.000 0.486 468 F N -0.619 119.234 119.950 -0.161 0.000 2.725 468 F HA 0.532 5.080 4.527 0.036 0.000 0.309 468 F C -0.894 174.765 175.800 -0.236 0.000 1.132 468 F CA -0.013 57.760 58.000 -0.379 0.000 0.957 468 F CB 1.812 40.425 39.000 -0.645 0.000 1.286 468 F HN 0.448 nan 8.300 nan 0.000 0.440 469 G N 1.775 109.911 108.800 -1.107 0.000 2.495 469 G HA2 0.495 4.477 3.960 0.038 0.000 0.294 469 G HA3 0.495 4.477 3.960 0.038 0.000 0.294 469 G C -2.757 171.504 174.900 -1.064 0.000 1.397 469 G CA -0.675 43.928 45.100 -0.829 0.000 0.790 469 G HN 0.540 nan 8.290 nan 0.000 0.486 470 Y N -0.645 119.306 120.300 -0.583 0.000 2.425 470 Y HA 0.684 5.259 4.550 0.043 0.000 0.344 470 Y C 0.228 175.931 175.900 -0.329 0.000 0.969 470 Y CA -0.946 56.936 58.100 -0.364 0.000 1.052 470 Y CB 2.229 40.556 38.460 -0.221 0.000 1.215 470 Y HN 0.412 nan 8.280 nan 0.000 0.451 471 I N 3.847 124.407 120.570 -0.016 0.000 2.362 471 I HA 0.455 4.648 4.170 0.038 0.000 0.289 471 I C -0.893 175.078 176.117 -0.244 0.000 0.994 471 I CA -0.872 60.364 61.300 -0.106 0.000 1.158 471 I CB 1.265 39.255 38.000 -0.017 0.000 1.315 471 I HN 0.208 nan 8.210 nan 0.000 0.451 472 V N 5.570 125.160 119.914 -0.541 0.000 2.435 472 V HA 0.323 4.466 4.120 0.038 0.000 0.290 472 V C -0.102 175.642 176.094 -0.584 0.000 1.030 472 V CA -0.604 61.310 62.300 -0.643 0.000 0.881 472 V CB 1.792 32.984 31.823 -1.050 0.000 0.983 472 V HN 0.739 nan 8.190 nan 0.000 0.445 473 E N 3.189 123.193 120.200 -0.327 0.000 2.114 473 E HA 0.606 4.978 4.350 0.038 0.000 0.266 473 E C -0.796 175.719 176.600 -0.142 0.000 0.896 473 E CA -0.183 56.090 56.400 -0.211 0.000 0.750 473 E CB 1.252 30.897 29.700 -0.092 0.000 1.121 473 E HN 0.712 nan 8.360 nan 0.000 0.413 474 S N 4.802 120.452 115.700 -0.084 0.000 2.550 474 S HA 0.280 4.772 4.470 0.038 0.000 0.274 474 S C -2.500 172.136 174.600 0.061 0.000 1.110 474 S CA -1.028 57.160 58.200 -0.021 0.000 1.013 474 S CB 1.269 64.432 63.200 -0.062 0.000 1.152 474 S HN 0.357 nan 8.310 nan 0.000 0.450 475 P HA -0.045 nan 4.420 nan 0.000 0.216 475 P C 1.574 178.924 177.300 0.083 0.000 1.150 475 P CA 1.859 65.001 63.100 0.069 0.000 0.837 475 P CB 0.107 31.837 31.700 0.049 0.000 0.786 476 A N -0.060 122.800 122.820 0.067 0.000 1.877 476 A HA -0.099 4.244 4.320 0.038 0.000 0.216 476 A C 2.334 179.994 177.584 0.127 0.000 1.186 476 A CA 2.103 54.185 52.037 0.076 0.000 0.620 476 A CB -1.607 17.422 19.000 0.048 0.000 0.822 476 A HN 0.190 nan 8.150 nan 0.000 0.443 477 A N -0.106 122.797 122.820 0.138 0.000 1.902 477 A HA 0.155 4.498 4.320 0.038 0.000 0.217 477 A C 2.513 180.285 177.584 0.313 0.000 1.181 477 A CA 2.131 54.317 52.037 0.249 0.000 0.623 477 A CB -1.070 17.995 19.000 0.108 0.000 0.818 477 A HN 1.096 nan 8.150 nan 0.000 0.443 478 A N -0.737 122.264 122.820 0.301 0.000 1.940 478 A HA -0.261 4.082 4.320 0.038 0.000 0.219 478 A C 2.202 179.830 177.584 0.073 0.000 1.176 478 A CA 1.886 54.028 52.037 0.174 0.000 0.631 478 A CB -0.616 18.507 19.000 0.204 0.000 0.814 478 A HN 0.687 nan 8.150 nan 0.000 0.446 479 Q N -0.643 119.214 119.800 0.095 0.000 2.170 479 Q HA -0.246 4.116 4.340 0.038 0.000 0.203 479 Q C 2.117 178.143 176.000 0.044 0.000 0.976 479 Q CA 1.755 57.594 55.803 0.060 0.000 0.858 479 Q CB -0.140 28.635 28.738 0.062 0.000 0.907 479 Q HN 0.827 nan 8.270 nan 0.000 0.433 480 Q N -0.045 119.811 119.800 0.093 0.000 2.083 480 Q HA -0.136 4.227 4.340 0.038 0.000 0.198 480 Q C 2.186 178.155 176.000 -0.053 0.000 0.969 480 Q CA 1.033 56.874 55.803 0.064 0.000 0.838 480 Q CB -0.096 28.767 28.738 0.209 0.000 0.900 480 Q HN 0.304 nan 8.270 nan 0.000 0.436 481 L N 1.777 122.957 121.223 -0.072 0.000 2.012 481 L HA -0.238 4.125 4.340 0.038 0.000 0.210 481 L C 2.315 179.099 176.870 -0.143 0.000 1.073 481 L CA 1.928 56.642 54.840 -0.211 0.000 0.748 481 L CB -0.476 41.338 42.059 -0.410 0.000 0.891 481 L HN 0.070 nan 8.230 nan 0.000 0.431 482 K N -1.464 118.884 120.400 -0.088 0.000 2.032 482 K HA -0.197 4.146 4.320 0.038 0.000 0.209 482 K C 1.849 178.398 176.600 -0.084 0.000 1.048 482 K CA 2.154 58.405 56.287 -0.060 0.000 0.927 482 K CB -0.275 32.214 32.500 -0.018 0.000 0.712 482 K HN 0.438 nan 8.250 nan 0.000 0.441 483 T N 1.161 115.666 114.554 -0.080 0.000 2.812 483 T HA -0.046 4.327 4.350 0.038 0.000 0.264 483 T C 1.509 176.122 174.700 -0.145 0.000 1.042 483 T CA 1.020 63.062 62.100 -0.096 0.000 1.140 483 T CB -0.016 68.815 68.868 -0.062 0.000 0.870 483 T HN 0.263 nan 8.240 nan 0.000 0.445 484 E N 0.058 120.172 120.200 -0.144 0.000 2.299 484 E HA 0.225 4.598 4.350 0.038 0.000 0.193 484 E C 1.736 178.237 176.600 -0.164 0.000 0.998 484 E CA 0.411 56.723 56.400 -0.146 0.000 0.851 484 E CB 0.317 29.927 29.700 -0.149 0.000 0.795 484 E HN 0.387 nan 8.360 nan 0.000 0.492 485 L N -1.374 119.751 121.223 -0.163 0.000 2.598 485 L HA 0.158 4.521 4.340 0.038 0.000 0.205 485 L C 1.807 178.621 176.870 -0.094 0.000 1.054 485 L CA 0.153 54.955 54.840 -0.064 0.000 0.934 485 L CB -0.063 42.010 42.059 0.022 0.000 1.704 485 L HN -0.025 nan 8.230 nan 0.000 0.491 486 L N 0.199 121.384 121.223 -0.064 0.000 2.044 486 L HA -0.124 4.238 4.340 0.038 0.000 0.205 486 L C 1.904 178.762 176.870 -0.020 0.000 1.075 486 L CA 1.227 56.069 54.840 0.003 0.000 0.747 486 L CB -0.552 41.510 42.059 0.005 0.000 0.903 486 L HN 0.266 nan 8.230 nan 0.000 0.435 487 D N -0.141 120.207 120.400 -0.086 0.000 2.104 487 D HA -0.133 4.530 4.640 0.038 0.000 0.194 487 D C -0.497 175.689 176.300 -0.191 0.000 0.994 487 D CA 1.469 55.414 54.000 -0.091 0.000 0.830 487 D CB -1.373 39.361 40.800 -0.110 0.000 0.959 487 D HN 0.223 nan 8.370 nan 0.000 0.452 488 P HA -0.104 nan 4.420 nan 0.000 0.217 488 P C 1.278 178.291 177.300 -0.478 0.000 1.150 488 P CA 1.133 63.848 63.100 -0.641 0.000 0.832 488 P CB -0.009 30.907 31.700 -1.308 0.000 0.787 489 E N -1.119 118.883 120.200 -0.329 0.000 2.058 489 E HA -0.222 4.150 4.350 0.038 0.000 0.194 489 E C 1.807 178.508 176.600 0.167 0.000 0.997 489 E CA 1.101 57.612 56.400 0.185 0.000 0.801 489 E CB -0.574 29.383 29.700 0.429 0.000 0.746 489 E HN 0.312 nan 8.360 nan 0.000 0.450 490 W N 1.788 123.039 121.300 -0.083 0.000 2.436 490 W HA -0.122 4.559 4.660 0.036 0.000 0.284 490 W C 2.152 178.573 176.519 -0.164 0.000 1.225 490 W CA 1.238 58.532 57.345 -0.085 0.000 1.271 490 W CB 0.004 29.419 29.460 -0.074 0.000 1.114 490 W HN 0.051 nan 8.180 nan 0.000 0.559 491 K N -0.056 120.139 120.400 -0.341 0.000 2.074 491 K HA -0.274 4.069 4.320 0.038 0.000 0.209 491 K C 1.630 177.805 176.600 -0.707 0.000 1.048 491 K CA 2.185 58.120 56.287 -0.587 0.000 0.926 491 K CB -0.742 31.337 32.500 -0.701 0.000 0.713 491 K HN 0.138 nan 8.250 nan 0.000 0.444 492 Y N -0.096 120.043 120.300 -0.269 0.000 2.436 492 Y HA 0.141 4.713 4.550 0.036 0.000 0.288 492 Y C 2.333 178.003 175.900 -0.382 0.000 1.112 492 Y CA 0.512 58.436 58.100 -0.293 0.000 1.220 492 Y CB 0.214 38.514 38.460 -0.267 0.000 1.073 492 Y HN 0.025 nan 8.280 nan 0.000 0.552 493 S N 0.289 115.823 115.700 -0.278 0.000 2.496 493 S HA -0.147 4.345 4.470 0.038 0.000 0.224 493 S C 1.866 176.148 174.600 -0.530 0.000 0.996 493 S CA 0.715 58.735 58.200 -0.300 0.000 0.927 493 S CB -0.328 62.826 63.200 -0.077 0.000 0.774 493 S HN 0.623 nan 8.310 nan 0.000 0.524 494 Q N 1.431 120.652 119.800 -0.965 0.000 2.291 494 Q HA -0.114 4.249 4.340 0.038 0.000 0.206 494 Q C 1.347 177.046 176.000 -0.501 0.000 0.976 494 Q CA 1.148 56.268 55.803 -1.138 0.000 0.875 494 Q CB -0.582 27.373 28.738 -1.306 0.000 0.927 494 Q HN 0.522 nan 8.270 nan 0.000 0.450 495 Q N 0.175 119.762 119.800 -0.355 0.000 2.515 495 Q HA 0.101 4.464 4.340 0.038 0.000 0.212 495 Q C 0.947 176.864 176.000 -0.138 0.000 0.970 495 Q CA 0.856 56.539 55.803 -0.199 0.000 0.941 495 Q CB 0.352 29.003 28.738 -0.146 0.000 0.998 495 Q HN 0.535 nan 8.270 nan 0.000 0.518 496 A N -0.012 122.721 122.820 -0.146 0.000 2.589 496 A HA 0.564 4.907 4.320 0.038 0.000 0.283 496 A C 0.418 177.986 177.584 -0.027 0.000 1.187 496 A CA -0.289 51.708 52.037 -0.066 0.000 0.957 496 A CB 0.343 19.314 19.000 -0.048 0.000 1.175 496 A HN 0.236 nan 8.150 nan 0.000 0.532 497 A N 0.574 123.363 122.820 -0.052 0.000 2.540 497 A HA 0.517 4.860 4.320 0.038 0.000 0.239 497 A C 0.740 178.359 177.584 0.057 0.000 1.061 497 A CA 0.615 52.679 52.037 0.046 0.000 0.758 497 A CB -0.108 18.922 19.000 0.051 0.000 0.991 497 A HN 1.486 nan 8.150 nan 0.000 0.502 498 A N 2.461 125.333 122.820 0.086 0.000 2.306 498 A HA 0.634 4.977 4.320 0.038 0.000 0.314 498 A C 0.387 178.008 177.584 0.062 0.000 1.164 498 A CA -0.315 51.760 52.037 0.063 0.000 0.822 498 A CB 0.294 19.332 19.000 0.063 0.000 1.130 498 A HN 0.852 nan 8.150 nan 0.000 0.496 499 T N 5.040 119.620 114.554 0.044 0.000 2.753 499 T HA 0.499 4.872 4.350 0.038 0.000 0.297 499 T C -2.326 172.394 174.700 0.033 0.000 0.981 499 T CA -0.761 61.363 62.100 0.039 0.000 0.956 499 T CB 0.565 69.451 68.868 0.029 0.000 0.936 499 T HN 0.590 nan 8.240 nan 0.000 0.463 500 P HA 0.264 nan 4.420 nan 0.000 0.269 500 P C -0.266 177.046 177.300 0.020 0.000 1.215 500 P CA -0.580 62.536 63.100 0.027 0.000 0.780 500 P CB 0.355 32.071 31.700 0.027 0.000 0.898 501 A N 1.679 124.509 122.820 0.017 0.000 2.566 501 A HA 0.377 4.720 4.320 0.038 0.000 0.245 501 A C 1.423 179.014 177.584 0.011 0.000 1.056 501 A CA 0.806 52.850 52.037 0.013 0.000 0.757 501 A CB -1.481 17.525 19.000 0.010 0.000 0.979 501 A HN 1.004 nan 8.150 nan 0.000 0.508 502 G N 0.842 109.648 108.800 0.010 0.000 2.163 502 G HA2 -0.161 3.822 3.960 0.038 0.000 0.213 502 G HA3 -0.161 3.822 3.960 0.038 0.000 0.213 502 G C 0.065 174.971 174.900 0.010 0.000 0.991 502 G CA -0.068 45.038 45.100 0.009 0.000 0.653 502 G HN 1.172 nan 8.290 nan 0.000 0.518 503 c N 1.997 120.604 118.600 0.012 0.000 2.382 503 c HA 0.729 5.322 4.570 0.038 0.000 0.327 503 c C -0.521 173.576 174.090 0.012 0.000 1.250 503 c CA -1.225 55.111 56.329 0.013 0.000 1.707 503 c CB 0.745 43.266 42.510 0.017 0.000 2.272 503 c HN 0.580 nan 8.230 nan 0.000 0.506 504 P HA 0.000 nan 4.420 nan 0.000 0.216 504 P CA 0.000 63.106 63.100 0.010 0.000 0.800 504 P CB 0.000 31.706 31.700 0.010 0.000 0.726