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 3gpc_1_A DATA FIRST_RESID 36 DATA SEQUENCE GHQEVPAKFN FASDVLDHWA DMEKAGKRPP SPALWWVNGK GKELMWNFRE DATA SEQUENCE LSENSQQAAN VLSGACGLQR GDRVAVVLPR VPEWWLVILG CIRAGLIFMP DATA SEQUENCE GTIQMKSTDI LYRLQMSKAK AIVAGDEVIQ EVDTVASECP SLRIKLLVSE DATA SEQUENCE KSCDGWLNFK KLLNEASTTH HCVETGSQEA SAIYFTSGXX GLPKMAEHSY DATA SEQUENCE SSLGLKAKMD AGWTGLQASD IMWTISDTGW ILNILCSLME PWALGACTFV DATA SEQUENCE HLLPKFDPLV ILKTLSSYPI KSMMGAPIVY RMLLQQDLSS YKFPHLQNCV DATA SEQUENCE TVGESLLPET LENWRAQTGL DIRESYGQTE TGLTCMVSKT MKIKPGYMGT DATA SEQUENCE AASCYDVQII DDKGNVLPPG TEGDIGIRVK PIRPIGIFSG YVDNPDKTAA DATA SEQUENCE NIRGDFWLLG DRGIKDEDGY FQFMGRADDI INSSGYRIGP SEVENALMEH DATA SEQUENCE PAVVETAVIS SPDPVRGEVV KAFVVLASQF LSHDPEQLTK ELQQHVKSVT DATA SEQUENCE APYKYPRKIE FVLNLPKTVT GKIQRAKLRD KEWK 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 36 G HA2 0.000 nan 3.960 nan 0.000 0.244 36 G HA3 0.000 3.978 3.960 0.030 0.000 0.244 36 G C 0.000 174.965 174.900 0.108 0.000 0.946 36 G CA 0.000 45.116 45.100 0.026 0.000 0.502 37 H N -0.993 118.054 119.070 -0.039 0.000 2.947 37 H HA 0.662 5.222 4.556 0.006 0.000 0.290 37 H C -0.683 174.627 175.328 -0.030 0.000 1.430 37 H CA -0.473 55.552 56.048 -0.038 0.000 1.189 37 H CB 1.829 31.572 29.762 -0.032 0.000 1.875 37 H HN 0.432 nan 8.280 nan 0.000 0.568 38 Q N 0.613 120.372 119.800 -0.068 0.000 2.248 38 Q HA 0.323 4.682 4.340 0.030 0.000 0.263 38 Q C -0.936 175.078 176.000 0.024 0.000 1.007 38 Q CA -0.749 55.014 55.803 -0.066 0.000 0.877 38 Q CB 2.087 30.740 28.738 -0.143 0.000 1.315 38 Q HN 0.505 nan 8.270 nan 0.000 0.454 39 E N 1.400 121.605 120.200 0.008 0.000 2.173 39 E HA 0.315 4.683 4.350 0.030 0.000 0.249 39 E C -0.961 175.646 176.600 0.012 0.000 0.923 39 E CA -0.328 56.084 56.400 0.020 0.000 0.754 39 E CB 1.110 30.820 29.700 0.017 0.000 1.177 39 E HN 0.332 nan 8.360 nan 0.000 0.430 40 V N 0.085 120.013 119.914 0.023 0.000 3.007 40 V HA 0.659 4.797 4.120 0.030 0.000 0.311 40 V C -2.399 173.723 176.094 0.047 0.000 1.120 40 V CA -2.530 59.783 62.300 0.022 0.000 0.980 40 V CB 1.239 33.072 31.823 0.018 0.000 1.033 40 V HN 0.338 nan 8.190 nan 0.000 0.429 41 P HA 0.268 nan 4.420 nan 0.000 0.268 41 P C 0.889 178.243 177.300 0.091 0.000 1.208 41 P CA 0.390 63.539 63.100 0.081 0.000 0.777 41 P CB 0.895 32.664 31.700 0.115 0.000 0.875 42 A N 2.358 125.223 122.820 0.074 0.000 1.908 42 A HA -0.114 4.224 4.320 0.030 0.000 0.218 42 A C 0.950 178.587 177.584 0.088 0.000 1.181 42 A CA 1.452 53.531 52.037 0.069 0.000 0.627 42 A CB -0.382 18.646 19.000 0.046 0.000 0.818 42 A HN 0.483 nan 8.150 nan 0.000 0.445 43 K N -1.814 118.644 120.400 0.096 0.000 2.259 43 K HA 0.668 5.007 4.320 0.030 0.000 0.252 43 K C -1.779 174.935 176.600 0.190 0.000 0.936 43 K CA -0.407 55.935 56.287 0.092 0.000 0.810 43 K CB 1.886 34.401 32.500 0.025 0.000 1.143 43 K HN 0.231 nan 8.250 nan 0.000 0.427 44 F N 1.451 121.421 119.950 0.034 0.000 2.650 44 F HA 0.332 4.872 4.527 0.021 0.000 0.310 44 F C -1.421 174.423 175.800 0.074 0.000 1.112 44 F CA -0.631 57.413 58.000 0.074 0.000 0.986 44 F CB 1.795 40.875 39.000 0.134 0.000 1.285 44 F HN 0.460 nan 8.300 nan 0.000 0.440 45 N N 5.354 123.648 118.700 -0.676 0.000 2.478 45 N HA 0.128 4.886 4.740 0.030 0.000 0.291 45 N C -0.300 174.996 175.510 -0.357 0.000 1.090 45 N CA -0.339 52.546 53.050 -0.274 0.000 0.911 45 N CB 1.293 39.647 38.487 -0.222 0.000 1.546 45 N HN 0.707 nan 8.380 nan 0.000 0.500 46 F N 3.965 123.931 119.950 0.027 0.000 2.171 46 F HA -0.025 4.518 4.527 0.026 0.000 0.300 46 F C 2.075 177.941 175.800 0.110 0.000 1.090 46 F CA 2.069 60.167 58.000 0.163 0.000 1.293 46 F CB 0.160 39.401 39.000 0.402 0.000 1.013 46 F HN 0.693 nan 8.300 nan 0.000 0.486 47 A N -0.354 122.586 122.820 0.200 0.000 1.873 47 A HA -0.164 4.174 4.320 0.030 0.000 0.215 47 A C 2.348 179.910 177.584 -0.037 0.000 1.186 47 A CA 2.091 54.198 52.037 0.116 0.000 0.616 47 A CB -1.313 17.787 19.000 0.167 0.000 0.823 47 A HN 0.472 nan 8.150 nan 0.000 0.442 48 S N -0.472 115.177 115.700 -0.085 0.000 2.395 48 S HA -0.089 4.399 4.470 0.030 0.000 0.225 48 S C 1.251 175.730 174.600 -0.202 0.000 1.027 48 S CA 1.183 59.308 58.200 -0.125 0.000 0.965 48 S CB -0.296 62.831 63.200 -0.121 0.000 0.812 48 S HN 0.494 nan 8.310 nan 0.000 0.482 49 D N 0.609 120.814 120.400 -0.325 0.000 2.305 49 D HA 0.208 4.866 4.640 0.030 0.000 0.206 49 D C 1.716 177.824 176.300 -0.320 0.000 0.974 49 D CA 0.524 54.304 54.000 -0.366 0.000 0.871 49 D CB 0.559 40.977 40.800 -0.638 0.000 0.947 49 D HN 0.387 nan 8.370 nan 0.000 0.516 50 V N 0.088 119.771 119.914 -0.386 0.000 3.001 50 V HA 0.012 4.151 4.120 0.030 0.000 0.228 50 V C 2.022 177.967 176.094 -0.247 0.000 1.204 50 V CA 0.009 62.075 62.300 -0.391 0.000 1.247 50 V CB -0.029 31.353 31.823 -0.734 0.000 1.093 50 V HN -0.007 nan 8.190 nan 0.000 0.504 51 L N 0.755 121.859 121.223 -0.198 0.000 2.083 51 L HA -0.144 4.214 4.340 0.030 0.000 0.209 51 L C 1.960 178.860 176.870 0.050 0.000 1.083 51 L CA 2.069 56.956 54.840 0.078 0.000 0.752 51 L CB -0.605 41.529 42.059 0.125 0.000 0.899 51 L HN 0.330 nan 8.230 nan 0.000 0.433 52 D N -2.067 118.311 120.400 -0.035 0.000 2.264 52 D HA -0.204 4.454 4.640 0.030 0.000 0.208 52 D C 1.901 178.139 176.300 -0.104 0.000 0.966 52 D CA 1.062 55.036 54.000 -0.043 0.000 0.864 52 D CB -0.042 40.729 40.800 -0.049 0.000 0.933 52 D HN 0.545 nan 8.370 nan 0.000 0.499 53 H N -0.824 118.067 119.070 -0.299 0.000 2.321 53 H HA -0.145 4.429 4.556 0.031 0.000 0.300 53 H C 1.779 176.837 175.328 -0.449 0.000 1.087 53 H CA 1.845 57.621 56.048 -0.453 0.000 1.319 53 H CB -0.413 28.927 29.762 -0.702 0.000 1.379 53 H HN 0.185 nan 8.280 nan 0.000 0.501 54 W N 0.385 121.490 121.300 -0.324 0.000 2.388 54 W HA 0.040 4.719 4.660 0.031 0.000 0.294 54 W C 2.855 179.215 176.519 -0.265 0.000 1.212 54 W CA 0.777 57.837 57.345 -0.474 0.000 1.271 54 W CB -0.256 28.669 29.460 -0.892 0.000 1.126 54 W HN 0.324 nan 8.180 nan 0.000 0.535 55 A N 0.620 123.492 122.820 0.087 0.000 1.877 55 A HA -0.224 4.115 4.320 0.030 0.000 0.216 55 A C 1.693 179.272 177.584 -0.008 0.000 1.186 55 A CA 2.130 54.220 52.037 0.088 0.000 0.620 55 A CB -0.911 18.136 19.000 0.078 0.000 0.822 55 A HN 0.128 nan 8.150 nan 0.000 0.443 56 D N -0.387 119.961 120.400 -0.088 0.000 2.123 56 D HA -0.154 4.504 4.640 0.030 0.000 0.196 56 D C 2.025 178.247 176.300 -0.131 0.000 0.992 56 D CA 1.253 55.185 54.000 -0.113 0.000 0.833 56 D CB -0.315 40.395 40.800 -0.149 0.000 0.954 56 D HN 0.325 nan 8.370 nan 0.000 0.455 57 M N 0.511 119.981 119.600 -0.217 0.000 2.159 57 M HA -0.122 4.377 4.480 0.030 0.000 0.263 57 M C 1.962 178.235 176.300 -0.046 0.000 1.063 57 M CA 1.212 56.410 55.300 -0.169 0.000 1.110 57 M CB -0.621 31.843 32.600 -0.226 0.000 1.374 57 M HN 0.127 nan 8.290 nan 0.000 0.411 58 E N 0.236 120.435 120.200 -0.002 0.000 2.047 58 E HA -0.179 4.189 4.350 0.030 0.000 0.191 58 E C 2.048 178.654 176.600 0.011 0.000 0.987 58 E CA 1.066 57.484 56.400 0.031 0.000 0.799 58 E CB -0.133 29.611 29.700 0.073 0.000 0.752 58 E HN 0.483 nan 8.360 nan 0.000 0.449 59 K N 0.549 120.948 120.400 -0.001 0.000 2.103 59 K HA -0.112 4.226 4.320 0.030 0.000 0.207 59 K C 1.928 178.519 176.600 -0.014 0.000 1.048 59 K CA 1.205 57.487 56.287 -0.007 0.000 0.930 59 K CB -0.071 32.420 32.500 -0.015 0.000 0.716 59 K HN 0.043 nan 8.250 nan 0.000 0.444 60 A N 0.054 122.860 122.820 -0.024 0.000 2.238 60 A HA 0.172 4.510 4.320 0.030 0.000 0.208 60 A C 1.364 178.941 177.584 -0.012 0.000 1.177 60 A CA 0.781 52.804 52.037 -0.023 0.000 0.804 60 A CB -0.382 18.596 19.000 -0.036 0.000 0.823 60 A HN 0.422 nan 8.150 nan 0.000 0.482 61 G N -0.234 108.563 108.800 -0.005 0.000 2.168 61 G HA2 -0.325 3.653 3.960 0.030 0.000 0.257 61 G HA3 -0.325 3.653 3.960 0.030 0.000 0.257 61 G C 0.835 175.740 174.900 0.008 0.000 0.997 61 G CA 0.917 46.020 45.100 0.004 0.000 0.708 61 G HN 0.583 nan 8.290 nan 0.000 0.520 62 K N -0.828 119.573 120.400 0.002 0.000 2.400 62 K HA 0.154 4.492 4.320 0.030 0.000 0.194 62 K C 1.189 177.808 176.600 0.032 0.000 1.033 62 K CA 0.432 56.725 56.287 0.009 0.000 1.021 62 K CB 0.486 32.980 32.500 -0.010 0.000 0.808 62 K HN 0.400 nan 8.250 nan 0.000 0.505 63 R N 0.991 121.513 120.500 0.037 0.000 2.604 63 R HA 0.214 4.573 4.340 0.030 0.000 0.270 63 R C -2.926 173.406 176.300 0.054 0.000 1.052 63 R CA -1.866 54.271 56.100 0.062 0.000 0.902 63 R CB 1.710 32.070 30.300 0.100 0.000 1.233 63 R HN -0.195 nan 8.270 nan 0.000 0.455 64 P HA 0.143 nan 4.420 nan 0.000 0.271 64 P C -2.623 174.714 177.300 0.061 0.000 1.233 64 P CA -1.297 61.830 63.100 0.045 0.000 0.789 64 P CB -0.208 31.515 31.700 0.039 0.000 0.951 65 P HA 0.066 nan 4.420 nan 0.000 0.262 65 P C -0.565 176.782 177.300 0.077 0.000 1.199 65 P CA 0.816 63.955 63.100 0.065 0.000 0.763 65 P CB 0.046 31.762 31.700 0.027 0.000 0.790 66 S N 5.267 121.052 115.700 0.143 0.000 2.500 66 S HA 0.542 5.031 4.470 0.030 0.000 0.301 66 S C -2.676 172.007 174.600 0.139 0.000 1.092 66 S CA -1.768 56.527 58.200 0.159 0.000 1.030 66 S CB 1.284 64.614 63.200 0.217 0.000 1.031 66 S HN 0.228 nan 8.310 nan 0.000 0.483 67 P HA 0.239 nan 4.420 nan 0.000 0.267 67 P C -0.078 177.177 177.300 -0.075 0.000 1.205 67 P CA -0.040 63.059 63.100 -0.002 0.000 0.765 67 P CB 0.631 32.354 31.700 0.038 0.000 0.828 68 A N 3.954 126.562 122.820 -0.353 0.000 1.963 68 A HA 0.234 4.573 4.320 0.030 0.000 0.207 68 A C 0.235 177.861 177.584 0.070 0.000 1.243 68 A CA 0.905 52.530 52.037 -0.687 0.000 0.728 68 A CB -0.117 17.879 19.000 -1.673 0.000 0.895 68 A HN 0.482 nan 8.150 nan 0.000 0.467 69 L N -1.004 120.273 121.223 0.090 0.000 2.438 69 L HA 0.644 5.002 4.340 0.030 0.000 0.270 69 L C -2.125 174.922 176.870 0.294 0.000 0.972 69 L CA -0.703 54.245 54.840 0.182 0.000 0.831 69 L CB 1.812 43.886 42.059 0.025 0.000 1.273 69 L HN 0.345 nan 8.230 nan 0.000 0.405 70 W N 6.655 127.938 121.300 -0.028 0.000 2.475 70 W HA 0.433 5.111 4.660 0.030 0.000 0.320 70 W C -1.924 174.371 176.519 -0.373 0.000 1.022 70 W CA -1.692 55.600 57.345 -0.088 0.000 1.240 70 W CB 1.381 30.813 29.460 -0.046 0.000 1.328 70 W HN 0.679 nan 8.180 nan 0.000 0.439 71 W N 8.200 129.491 121.300 -0.016 0.000 2.606 71 W HA 0.619 5.297 4.660 0.030 0.000 0.332 71 W C -1.084 175.241 176.519 -0.324 0.000 1.052 71 W CA -0.755 56.380 57.345 -0.350 0.000 1.223 71 W CB 1.389 30.769 29.460 -0.133 0.000 1.383 71 W HN 0.304 nan 8.180 nan 0.000 0.524 72 V N 4.017 123.058 119.914 -1.455 0.000 2.925 72 V HA 0.514 4.652 4.120 0.030 0.000 0.311 72 V C -0.104 174.808 176.094 -1.970 0.000 1.104 72 V CA -0.703 60.761 62.300 -1.393 0.000 0.954 72 V CB 2.042 33.267 31.823 -0.997 0.000 1.022 72 V HN 0.796 nan 8.190 nan 0.000 0.427 73 N N 1.593 119.420 118.700 -1.456 0.000 2.236 73 N HA 0.245 5.003 4.740 0.030 0.000 0.196 73 N C 1.263 176.445 175.510 -0.546 0.000 1.114 73 N CA 0.772 53.261 53.050 -0.936 0.000 0.859 73 N CB 0.730 38.942 38.487 -0.458 0.000 0.982 73 N HN 2.081 nan 8.380 nan 0.000 0.493 74 G N 0.482 108.950 108.800 -0.555 0.000 2.148 74 G HA2 -0.326 3.652 3.960 0.030 0.000 0.254 74 G HA3 -0.326 3.652 3.960 0.030 0.000 0.254 74 G C 0.429 175.306 174.900 -0.039 0.000 0.981 74 G CA 0.684 45.702 45.100 -0.137 0.000 0.670 74 G HN 0.518 nan 8.290 nan 0.000 0.528 75 K N -1.034 119.319 120.400 -0.079 0.000 2.564 75 K HA 0.478 4.816 4.320 0.030 0.000 0.201 75 K C 1.551 178.141 176.600 -0.017 0.000 1.086 75 K CA 0.388 56.661 56.287 -0.022 0.000 1.062 75 K CB 1.044 33.541 32.500 -0.005 0.000 0.849 75 K HN 1.136 nan 8.250 nan 0.000 0.529 76 G N 1.572 110.353 108.800 -0.032 0.000 2.238 76 G HA2 -0.256 3.722 3.960 0.030 0.000 0.217 76 G HA3 -0.256 3.722 3.960 0.030 0.000 0.217 76 G C -0.109 174.795 174.900 0.007 0.000 0.996 76 G CA -0.339 44.760 45.100 -0.001 0.000 0.632 76 G HN 0.145 nan 8.290 nan 0.000 0.503 77 K N 1.919 122.313 120.400 -0.010 0.000 2.258 77 K HA 0.610 4.948 4.320 0.030 0.000 0.284 77 K C 0.086 176.688 176.600 0.004 0.000 1.051 77 K CA -0.035 56.285 56.287 0.055 0.000 0.923 77 K CB 0.395 32.993 32.500 0.164 0.000 1.046 77 K HN 0.425 nan 8.250 nan 0.000 0.474 78 E N 3.712 123.983 120.200 0.119 0.000 2.369 78 E HA 0.526 4.894 4.350 0.030 0.000 0.270 78 E C -1.044 175.708 176.600 0.254 0.000 0.909 78 E CA -1.008 55.502 56.400 0.183 0.000 0.775 78 E CB 1.928 31.774 29.700 0.244 0.000 1.270 78 E HN 0.334 nan 8.360 nan 0.000 0.445 79 L N 1.965 123.390 121.223 0.337 0.000 2.513 79 L HA 0.548 4.906 4.340 0.030 0.000 0.261 79 L C -1.080 175.863 176.870 0.121 0.000 0.945 79 L CA -0.627 54.284 54.840 0.118 0.000 0.848 79 L CB 2.327 44.473 42.059 0.146 0.000 1.334 79 L HN 0.425 nan 8.230 nan 0.000 0.407 80 M N 2.790 122.285 119.600 -0.175 0.000 2.378 80 M HA 0.434 4.932 4.480 0.030 0.000 0.289 80 M C -2.268 173.941 176.300 -0.152 0.000 1.136 80 M CA -0.210 55.060 55.300 -0.051 0.000 0.917 80 M CB 2.770 35.186 32.600 -0.307 0.000 1.669 80 M HN 0.596 nan 8.290 nan 0.000 0.461 81 W N 3.930 125.156 121.300 -0.124 0.000 2.529 81 W HA 0.280 4.959 4.660 0.032 0.000 0.321 81 W C 0.060 176.450 176.519 -0.213 0.000 1.047 81 W CA -0.663 56.593 57.345 -0.148 0.000 1.216 81 W CB 1.785 31.155 29.460 -0.150 0.000 1.357 81 W HN 0.717 nan 8.180 nan 0.000 0.489 82 N N 0.207 118.914 118.700 0.010 0.000 2.366 82 N HA 0.189 4.948 4.740 0.030 0.000 0.277 82 N C 0.327 175.773 175.510 -0.106 0.000 1.275 82 N CA -0.231 52.787 53.050 -0.053 0.000 0.964 82 N CB 0.253 38.746 38.487 0.010 0.000 1.167 82 N HN 0.214 nan 8.380 nan 0.000 0.568 83 F N -1.403 118.545 119.950 -0.003 0.000 2.206 83 F HA 0.160 4.705 4.527 0.030 0.000 0.298 83 F C 2.612 178.406 175.800 -0.010 0.000 1.090 83 F CA 0.835 58.810 58.000 -0.042 0.000 1.323 83 F CB -0.228 38.774 39.000 0.003 0.000 1.028 83 F HN 0.515 nan 8.300 nan 0.000 0.492 84 R N 0.856 121.455 120.500 0.165 0.000 2.073 84 R HA -0.180 4.179 4.340 0.030 0.000 0.234 84 R C 1.948 178.296 176.300 0.080 0.000 1.134 84 R CA 2.011 58.170 56.100 0.098 0.000 0.952 84 R CB -0.302 30.038 30.300 0.067 0.000 0.850 84 R HN 0.287 nan 8.270 nan 0.000 0.433 85 E N 0.313 120.563 120.200 0.083 0.000 2.110 85 E HA -0.206 4.162 4.350 0.030 0.000 0.193 85 E C 1.943 178.690 176.600 0.244 0.000 0.988 85 E CA 1.122 57.600 56.400 0.129 0.000 0.804 85 E CB -0.112 29.640 29.700 0.086 0.000 0.745 85 E HN 0.214 nan 8.360 nan 0.000 0.458 86 L N 0.698 122.014 121.223 0.154 0.000 2.046 86 L HA -0.167 4.191 4.340 0.030 0.000 0.208 86 L C 2.366 179.222 176.870 -0.023 0.000 1.077 86 L CA 1.839 56.663 54.840 -0.027 0.000 0.747 86 L CB -0.657 41.195 42.059 -0.346 0.000 0.896 86 L HN -0.002 nan 8.230 nan 0.000 0.432 87 S N -0.859 114.852 115.700 0.018 0.000 2.356 87 S HA -0.224 4.264 4.470 0.030 0.000 0.223 87 S C 1.890 176.523 174.600 0.054 0.000 1.032 87 S CA 1.606 59.829 58.200 0.038 0.000 1.005 87 S CB -0.321 62.912 63.200 0.055 0.000 0.867 87 S HN 0.631 nan 8.310 nan 0.000 0.449 88 E N 0.813 121.054 120.200 0.069 0.000 2.051 88 E HA -0.147 4.221 4.350 0.030 0.000 0.192 88 E C 2.172 178.820 176.600 0.081 0.000 0.991 88 E CA 1.298 57.740 56.400 0.070 0.000 0.799 88 E CB -0.284 29.455 29.700 0.065 0.000 0.748 88 E HN 0.649 nan 8.360 nan 0.000 0.449 89 N N -0.003 118.770 118.700 0.122 0.000 2.270 89 N HA -0.120 4.638 4.740 0.030 0.000 0.181 89 N C 1.793 177.355 175.510 0.087 0.000 1.016 89 N CA 1.089 54.227 53.050 0.147 0.000 0.870 89 N CB 0.176 38.868 38.487 0.342 0.000 0.979 89 N HN 0.079 nan 8.380 nan 0.000 0.431 90 S N -0.222 115.509 115.700 0.051 0.000 2.461 90 S HA -0.020 4.468 4.470 0.030 0.000 0.228 90 S C 1.700 176.307 174.600 0.012 0.000 1.005 90 S CA 0.361 58.578 58.200 0.029 0.000 0.942 90 S CB -0.018 63.191 63.200 0.015 0.000 0.776 90 S HN 0.339 nan 8.310 nan 0.000 0.514 91 Q N 1.046 120.867 119.800 0.034 0.000 2.123 91 Q HA -0.062 4.296 4.340 0.030 0.000 0.199 91 Q C 2.440 178.450 176.000 0.016 0.000 0.966 91 Q CA 1.384 57.213 55.803 0.043 0.000 0.845 91 Q CB -0.268 28.536 28.738 0.111 0.000 0.907 91 Q HN 0.688 nan 8.270 nan 0.000 0.439 92 Q N 0.302 120.115 119.800 0.022 0.000 2.096 92 Q HA -0.196 4.162 4.340 0.030 0.000 0.204 92 Q C 2.162 178.133 176.000 -0.048 0.000 0.982 92 Q CA 1.435 57.233 55.803 -0.009 0.000 0.850 92 Q CB -0.263 28.468 28.738 -0.013 0.000 0.901 92 Q HN 0.385 nan 8.270 nan 0.000 0.422 93 A N 1.153 123.965 122.820 -0.014 0.000 1.883 93 A HA -0.186 4.152 4.320 0.030 0.000 0.217 93 A C 2.323 179.901 177.584 -0.009 0.000 1.186 93 A CA 1.764 53.834 52.037 0.055 0.000 0.624 93 A CB -0.931 18.168 19.000 0.164 0.000 0.822 93 A HN 0.424 nan 8.150 nan 0.000 0.444 94 A N 0.041 122.780 122.820 -0.134 0.000 1.902 94 A HA -0.212 4.126 4.320 0.030 0.000 0.217 94 A C 1.970 179.403 177.584 -0.252 0.000 1.181 94 A CA 1.849 53.684 52.037 -0.337 0.000 0.623 94 A CB -0.640 17.823 19.000 -0.895 0.000 0.818 94 A HN 0.556 nan 8.150 nan 0.000 0.443 95 N N 0.152 118.771 118.700 -0.135 0.000 2.120 95 N HA -0.117 4.641 4.740 0.030 0.000 0.188 95 N C 1.776 177.284 175.510 -0.005 0.000 1.024 95 N CA 1.575 54.630 53.050 0.008 0.000 0.852 95 N CB -0.622 37.893 38.487 0.047 0.000 1.003 95 N HN 0.249 nan 8.380 nan 0.000 0.424 96 V N 1.936 121.829 119.914 -0.035 0.000 2.255 96 V HA -0.219 3.919 4.120 0.030 0.000 0.247 96 V C 2.425 178.535 176.094 0.027 0.000 1.051 96 V CA 1.413 63.695 62.300 -0.031 0.000 1.018 96 V CB -0.575 31.183 31.823 -0.108 0.000 0.641 96 V HN 0.218 nan 8.190 nan 0.000 0.445 97 L N 0.571 121.822 121.223 0.047 0.000 2.027 97 L HA -0.136 4.223 4.340 0.030 0.000 0.206 97 L C 2.647 179.542 176.870 0.042 0.000 1.074 97 L CA 1.972 56.847 54.840 0.059 0.000 0.745 97 L CB -0.710 41.381 42.059 0.052 0.000 0.898 97 L HN 0.533 nan 8.230 nan 0.000 0.433 98 S N -0.959 114.762 115.700 0.036 0.000 2.425 98 S HA 0.032 4.520 4.470 0.030 0.000 0.225 98 S C 1.748 176.380 174.600 0.053 0.000 1.024 98 S CA 0.497 58.734 58.200 0.062 0.000 0.951 98 S CB -0.301 62.972 63.200 0.121 0.000 0.796 98 S HN 0.398 nan 8.310 nan 0.000 0.498 99 G N 1.359 110.185 108.800 0.045 0.000 2.724 99 G HA2 0.428 4.407 3.960 0.030 0.000 0.217 99 G HA3 0.428 4.407 3.960 0.030 0.000 0.217 99 G C 1.650 176.561 174.900 0.019 0.000 1.251 99 G CA 0.294 45.413 45.100 0.032 0.000 0.867 99 G HN 0.614 nan 8.290 nan 0.000 0.590 100 A N -0.104 122.725 122.820 0.013 0.000 1.917 100 A HA -0.110 4.228 4.320 0.030 0.000 0.219 100 A C 2.305 179.899 177.584 0.016 0.000 1.182 100 A CA 2.107 54.149 52.037 0.009 0.000 0.633 100 A CB -0.925 18.074 19.000 -0.001 0.000 0.819 100 A HN 0.450 nan 8.150 nan 0.000 0.448 101 C N -1.601 117.715 119.300 0.026 0.000 2.799 101 C HA 0.476 4.954 4.460 0.030 0.000 0.267 101 C C 1.913 176.915 174.990 0.020 0.000 1.257 101 C CA -0.168 58.866 59.018 0.027 0.000 1.702 101 C CB -0.931 26.835 27.740 0.043 0.000 1.934 101 C HN 1.101 nan 8.230 nan 0.000 0.594 102 G N 1.481 110.294 108.800 0.021 0.000 2.225 102 G HA2 -0.273 3.706 3.960 0.030 0.000 0.267 102 G HA3 -0.273 3.706 3.960 0.030 0.000 0.267 102 G C -0.050 174.864 174.900 0.022 0.000 1.024 102 G CA -0.002 45.110 45.100 0.019 0.000 0.784 102 G HN 0.596 nan 8.290 nan 0.000 0.507 103 L N -0.038 121.203 121.223 0.030 0.000 2.367 103 L HA 0.350 4.708 4.340 0.030 0.000 0.275 103 L C 0.949 177.843 176.870 0.041 0.000 1.129 103 L CA -0.094 54.766 54.840 0.032 0.000 0.839 103 L CB 0.777 42.859 42.059 0.037 0.000 1.133 103 L HN 0.299 nan 8.230 nan 0.000 0.453 104 Q N 2.677 122.499 119.800 0.037 0.000 2.226 104 Q HA 0.363 4.722 4.340 0.030 0.000 0.256 104 Q C -0.331 175.699 176.000 0.051 0.000 0.962 104 Q CA -1.036 54.791 55.803 0.040 0.000 0.887 104 Q CB 1.743 30.498 28.738 0.027 0.000 1.282 104 Q HN 0.376 nan 8.270 nan 0.000 0.449 105 R N 0.444 120.980 120.500 0.059 0.000 2.560 105 R HA -0.166 4.193 4.340 0.030 0.000 0.296 105 R C 0.670 177.007 176.300 0.061 0.000 0.873 105 R CA 1.734 57.875 56.100 0.069 0.000 1.140 105 R CB -0.563 29.771 30.300 0.057 0.000 0.875 105 R HN 0.983 nan 8.270 nan 0.000 0.419 106 G N 2.909 111.754 108.800 0.076 0.000 2.213 106 G HA2 -0.240 3.738 3.960 0.030 0.000 0.236 106 G HA3 -0.240 3.738 3.960 0.030 0.000 0.236 106 G C -0.370 174.550 174.900 0.033 0.000 0.991 106 G CA 0.143 45.275 45.100 0.055 0.000 0.629 106 G HN 0.682 nan 8.290 nan 0.000 0.517 107 D N 0.966 121.388 120.400 0.036 0.000 2.414 107 D HA 0.463 5.121 4.640 0.030 0.000 0.242 107 D C 1.001 177.313 176.300 0.019 0.000 1.129 107 D CA 0.189 54.203 54.000 0.024 0.000 0.885 107 D CB 0.518 41.334 40.800 0.026 0.000 1.198 107 D HN 0.415 nan 8.370 nan 0.000 0.437 108 R N 0.768 121.272 120.500 0.006 0.000 2.312 108 R HA 0.532 4.891 4.340 0.030 0.000 0.311 108 R C -0.776 175.530 176.300 0.011 0.000 1.004 108 R CA -0.714 55.385 56.100 -0.002 0.000 0.902 108 R CB 1.326 31.619 30.300 -0.011 0.000 1.073 108 R HN 0.107 nan 8.270 nan 0.000 0.457 109 V N 2.784 122.707 119.914 0.016 0.000 2.380 109 V HA 0.374 4.513 4.120 0.030 0.000 0.286 109 V C 0.014 176.122 176.094 0.024 0.000 1.015 109 V CA -1.011 61.302 62.300 0.021 0.000 0.834 109 V CB 1.487 33.325 31.823 0.025 0.000 1.009 109 V HN 0.945 nan 8.190 nan 0.000 0.428 110 A N 4.884 127.723 122.820 0.032 0.000 2.477 110 A HA 0.634 4.972 4.320 0.030 0.000 0.246 110 A C -0.243 177.359 177.584 0.030 0.000 1.078 110 A CA -0.060 52.004 52.037 0.045 0.000 0.770 110 A CB 0.485 19.517 19.000 0.054 0.000 1.011 110 A HN 0.778 nan 8.150 nan 0.000 0.494 111 V N 3.620 123.553 119.914 0.033 0.000 2.409 111 V HA 0.391 4.529 4.120 0.030 0.000 0.290 111 V C -0.590 175.556 176.094 0.087 0.000 1.017 111 V CA -0.377 61.931 62.300 0.013 0.000 0.841 111 V CB 1.559 33.318 31.823 -0.107 0.000 1.003 111 V HN 0.625 nan 8.190 nan 0.000 0.426 112 V N 6.970 126.928 119.914 0.073 0.000 2.320 112 V HA 0.516 4.655 4.120 0.030 0.000 0.268 112 V C -0.389 175.734 176.094 0.049 0.000 1.021 112 V CA -0.159 62.183 62.300 0.070 0.000 0.813 112 V CB 1.000 32.856 31.823 0.055 0.000 1.054 112 V HN 0.654 nan 8.190 nan 0.000 0.444 113 L N 5.695 126.966 121.223 0.080 0.000 2.371 113 L HA 0.669 5.027 4.340 0.030 0.000 0.262 113 L C -2.175 174.700 176.870 0.009 0.000 1.006 113 L CA -1.825 53.052 54.840 0.061 0.000 0.818 113 L CB 3.646 45.789 42.059 0.141 0.000 1.354 113 L HN 0.300 nan 8.230 nan 0.000 0.415 114 P HA 0.129 nan 4.420 nan 0.000 0.302 114 P C -0.849 176.485 177.300 0.056 0.000 1.301 114 P CA -0.466 62.638 63.100 0.007 0.000 0.745 114 P CB 0.503 32.233 31.700 0.051 0.000 1.331 115 R N 0.011 120.592 120.500 0.135 0.000 3.266 115 R HA 0.307 4.665 4.340 0.030 0.000 0.224 115 R C -0.246 176.348 176.300 0.491 0.000 1.525 115 R CA -0.313 55.971 56.100 0.306 0.000 1.364 115 R CB -0.625 29.832 30.300 0.261 0.000 1.276 115 R HN 0.277 nan 8.270 nan 0.000 0.660 116 V N -1.062 119.071 119.914 0.365 0.000 2.864 116 V HA 0.456 4.594 4.120 0.030 0.000 0.314 116 V C -2.263 173.853 176.094 0.038 0.000 1.073 116 V CA -2.543 59.774 62.300 0.028 0.000 0.956 116 V CB 2.215 34.012 31.823 -0.043 0.000 1.023 116 V HN 0.184 nan 8.190 nan 0.000 0.435 117 P HA -0.076 nan 4.420 nan 0.000 0.219 117 P C 1.157 178.499 177.300 0.070 0.000 1.146 117 P CA 1.243 64.225 63.100 -0.197 0.000 0.808 117 P CB 0.255 31.690 31.700 -0.442 0.000 0.779 118 E N -1.972 118.244 120.200 0.027 0.000 2.265 118 E HA -0.185 4.183 4.350 0.030 0.000 0.196 118 E C 1.602 178.180 176.600 -0.036 0.000 0.996 118 E CA 0.774 57.178 56.400 0.006 0.000 0.832 118 E CB -0.890 28.769 29.700 -0.069 0.000 0.756 118 E HN 0.364 nan 8.360 nan 0.000 0.491 119 W N 0.162 121.411 121.300 -0.084 0.000 2.333 119 W HA -0.188 4.490 4.660 0.031 0.000 0.316 119 W C 1.587 177.932 176.519 -0.291 0.000 1.215 119 W CA 1.588 58.781 57.345 -0.253 0.000 1.278 119 W CB -0.266 28.938 29.460 -0.427 0.000 1.154 119 W HN 0.113 nan 8.180 nan 0.000 0.486 120 W N -0.042 121.374 121.300 0.193 0.000 2.358 120 W HA -0.190 4.488 4.660 0.031 0.000 0.303 120 W C 2.092 178.560 176.519 -0.086 0.000 1.208 120 W CA 1.135 58.545 57.345 0.108 0.000 1.274 120 W CB -1.191 28.386 29.460 0.195 0.000 1.138 120 W HN -0.014 nan 8.180 nan 0.000 0.515 121 L N -0.553 120.710 121.223 0.067 0.000 2.093 121 L HA -0.201 4.158 4.340 0.030 0.000 0.208 121 L C 2.282 179.119 176.870 -0.055 0.000 1.085 121 L CA 0.765 55.610 54.840 0.009 0.000 0.755 121 L CB -1.255 40.843 42.059 0.065 0.000 0.904 121 L HN -0.219 nan 8.230 nan 0.000 0.435 122 V N -0.106 119.683 119.914 -0.208 0.000 2.358 122 V HA -0.247 3.891 4.120 0.030 0.000 0.246 122 V C 2.430 178.272 176.094 -0.420 0.000 1.047 122 V CA 1.269 63.381 62.300 -0.314 0.000 1.035 122 V CB -0.232 31.291 31.823 -0.500 0.000 0.658 122 V HN 0.249 nan 8.190 nan 0.000 0.452 123 I N -0.283 119.860 120.570 -0.711 0.000 2.179 123 I HA -0.204 3.984 4.170 0.030 0.000 0.242 123 I C 2.364 178.179 176.117 -0.503 0.000 1.088 123 I CA 1.697 62.430 61.300 -0.944 0.000 1.357 123 I CB -1.161 35.933 38.000 -1.510 0.000 1.051 123 I HN 0.259 nan 8.210 nan 0.000 0.409 124 L N 0.404 121.483 121.223 -0.240 0.000 2.083 124 L HA -0.140 4.218 4.340 0.030 0.000 0.209 124 L C 2.659 179.517 176.870 -0.019 0.000 1.083 124 L CA 1.448 56.280 54.840 -0.013 0.000 0.752 124 L CB -1.112 41.008 42.059 0.101 0.000 0.899 124 L HN 0.297 nan 8.230 nan 0.000 0.433 125 G N -0.639 108.124 108.800 -0.063 0.000 2.446 125 G HA2 -0.271 3.707 3.960 0.030 0.000 0.217 125 G HA3 -0.271 3.707 3.960 0.030 0.000 0.217 125 G C 1.616 176.492 174.900 -0.040 0.000 1.168 125 G CA 1.056 46.122 45.100 -0.056 0.000 0.771 125 G HN 0.418 nan 8.290 nan 0.000 0.551 126 C N 0.319 119.596 119.300 -0.038 0.000 2.429 126 C HA 0.038 4.517 4.460 0.030 0.000 0.277 126 C C 2.848 177.952 174.990 0.190 0.000 1.262 126 C CA 0.484 59.546 59.018 0.072 0.000 1.733 126 C CB -1.050 26.761 27.740 0.119 0.000 2.010 126 C HN 0.477 nan 8.230 nan 0.000 0.483 127 I N 0.596 121.282 120.570 0.193 0.000 2.163 127 I HA -0.248 3.941 4.170 0.030 0.000 0.243 127 I C 2.811 179.090 176.117 0.270 0.000 1.085 127 I CA 1.629 63.151 61.300 0.369 0.000 1.347 127 I CB -0.513 37.699 38.000 0.353 0.000 1.044 127 I HN 0.329 nan 8.210 nan 0.000 0.408 128 R N 0.574 121.171 120.500 0.161 0.000 2.105 128 R HA -0.129 4.229 4.340 0.030 0.000 0.239 128 R C 2.069 178.506 176.300 0.228 0.000 1.135 128 R CA 1.582 57.773 56.100 0.153 0.000 0.967 128 R CB -0.362 29.977 30.300 0.065 0.000 0.861 128 R HN 0.378 nan 8.270 nan 0.000 0.442 129 A N -0.269 122.634 122.820 0.138 0.000 2.275 129 A HA 0.265 4.603 4.320 0.030 0.000 0.212 129 A C 1.225 178.908 177.584 0.165 0.000 1.201 129 A CA 0.529 52.668 52.037 0.170 0.000 0.843 129 A CB 0.158 19.186 19.000 0.046 0.000 0.873 129 A HN 0.419 nan 8.150 nan 0.000 0.492 130 G N -0.429 108.483 108.800 0.187 0.000 2.198 130 G HA2 -0.220 3.759 3.960 0.030 0.000 0.260 130 G HA3 -0.220 3.759 3.960 0.030 0.000 0.260 130 G C -0.035 175.007 174.900 0.237 0.000 1.025 130 G CA 0.504 45.738 45.100 0.223 0.000 0.769 130 G HN 0.488 nan 8.290 nan 0.000 0.507 131 L N -0.227 121.126 121.223 0.217 0.000 2.325 131 L HA 0.570 4.928 4.340 0.030 0.000 0.279 131 L C 0.992 177.950 176.870 0.147 0.000 1.054 131 L CA -1.123 53.807 54.840 0.150 0.000 0.804 131 L CB 1.401 43.526 42.059 0.110 0.000 1.200 131 L HN 0.013 nan 8.230 nan 0.000 0.436 132 I N 3.445 124.042 120.570 0.046 0.000 2.308 132 I HA 0.095 4.284 4.170 0.030 0.000 0.293 132 I C -0.025 176.042 176.117 -0.083 0.000 1.078 132 I CA -0.272 60.972 61.300 -0.093 0.000 1.292 132 I CB -0.039 37.885 38.000 -0.126 0.000 1.423 132 I HN 0.350 nan 8.210 nan 0.000 0.493 133 F N 5.902 125.781 119.950 -0.118 0.000 2.399 133 F HA 0.662 5.207 4.527 0.031 0.000 0.342 133 F C -0.132 175.538 175.800 -0.216 0.000 1.106 133 F CA -0.972 56.926 58.000 -0.170 0.000 1.196 133 F CB 0.475 39.336 39.000 -0.232 0.000 1.163 133 F HN 0.232 nan 8.300 nan 0.000 0.547 134 M N 4.402 123.979 119.600 -0.038 0.000 1.949 134 M HA 0.328 4.826 4.480 0.030 0.000 0.234 134 M C -2.861 173.417 176.300 -0.036 0.000 0.855 134 M CA -1.473 53.751 55.300 -0.127 0.000 0.800 134 M CB 1.358 33.961 32.600 0.004 0.000 1.697 134 M HN 0.330 nan 8.290 nan 0.000 0.357 135 P HA 0.418 nan 4.420 nan 0.000 0.275 135 P C -0.065 177.329 177.300 0.158 0.000 1.228 135 P CA -0.039 63.134 63.100 0.121 0.000 0.786 135 P CB 1.182 33.087 31.700 0.342 0.000 0.927 136 G N 0.010 108.909 108.800 0.164 0.000 2.660 136 G HA2 0.476 4.455 3.960 0.030 0.000 0.294 136 G HA3 0.476 4.455 3.960 0.030 0.000 0.294 136 G C -1.226 173.719 174.900 0.075 0.000 1.369 136 G CA -0.472 44.705 45.100 0.129 0.000 0.912 136 G HN 0.422 nan 8.290 nan 0.000 0.479 137 T N 0.225 114.809 114.554 0.050 0.000 2.884 137 T HA 0.137 4.505 4.350 0.030 0.000 0.298 137 T C 1.538 176.225 174.700 -0.020 0.000 0.998 137 T CA -0.324 61.764 62.100 -0.021 0.000 1.124 137 T CB 0.493 69.356 68.868 -0.008 0.000 0.931 137 T HN 0.432 nan 8.240 nan 0.000 0.531 138 I N 4.146 124.687 120.570 -0.049 0.000 2.850 138 I HA -0.071 4.117 4.170 0.030 0.000 0.266 138 I C 2.101 178.200 176.117 -0.029 0.000 1.257 138 I CA 1.541 62.819 61.300 -0.035 0.000 1.465 138 I CB -0.138 37.834 38.000 -0.047 0.000 1.091 138 I HN 0.753 nan 8.210 nan 0.000 0.467 139 Q N -0.575 119.207 119.800 -0.031 0.000 2.403 139 Q HA 0.117 4.475 4.340 0.030 0.000 0.203 139 Q C 0.677 176.673 176.000 -0.007 0.000 0.932 139 Q CA -0.073 55.718 55.803 -0.019 0.000 0.945 139 Q CB 0.109 28.834 28.738 -0.022 0.000 1.045 139 Q HN 0.459 nan 8.270 nan 0.000 0.511 140 M N 1.451 121.049 119.600 -0.003 0.000 2.249 140 M HA 0.021 4.519 4.480 0.030 0.000 0.340 140 M C 0.084 176.384 176.300 -0.000 0.000 1.166 140 M CA 0.493 55.791 55.300 -0.002 0.000 1.115 140 M CB 0.488 33.086 32.600 -0.003 0.000 1.606 140 M HN -0.192 nan 8.290 nan 0.000 0.448 141 K N 0.900 121.298 120.400 -0.002 0.000 2.109 141 K HA 0.236 4.574 4.320 0.030 0.000 0.243 141 K C 1.127 177.732 176.600 0.008 0.000 1.006 141 K CA -0.165 56.123 56.287 0.003 0.000 0.917 141 K CB 0.752 33.252 32.500 -0.000 0.000 1.081 141 K HN 0.758 nan 8.250 nan 0.000 0.468 142 S N -0.324 115.386 115.700 0.016 0.000 2.383 142 S HA -0.167 4.321 4.470 0.030 0.000 0.229 142 S C 1.593 176.207 174.600 0.024 0.000 1.030 142 S CA 1.980 60.195 58.200 0.025 0.000 1.002 142 S CB -0.608 62.610 63.200 0.030 0.000 0.829 142 S HN 0.578 nan 8.310 nan 0.000 0.467 143 T N 2.497 117.062 114.554 0.018 0.000 2.720 143 T HA -0.115 4.253 4.350 0.030 0.000 0.268 143 T C 1.431 176.148 174.700 0.028 0.000 1.037 143 T CA 1.631 63.745 62.100 0.023 0.000 1.144 143 T CB -0.605 68.268 68.868 0.007 0.000 0.864 143 T HN 0.503 nan 8.240 nan 0.000 0.444 144 D N 0.975 121.374 120.400 -0.002 0.000 2.117 144 D HA 0.014 4.672 4.640 0.030 0.000 0.198 144 D C 2.169 178.461 176.300 -0.014 0.000 0.982 144 D CA 0.798 54.782 54.000 -0.026 0.000 0.828 144 D CB -0.259 40.512 40.800 -0.049 0.000 0.967 144 D HN 0.369 nan 8.370 nan 0.000 0.464 145 I N 0.665 121.232 120.570 -0.006 0.000 2.179 145 I HA -0.245 3.943 4.170 0.030 0.000 0.242 145 I C 2.442 178.560 176.117 0.001 0.000 1.088 145 I CA 0.505 61.800 61.300 -0.008 0.000 1.357 145 I CB -0.159 37.853 38.000 0.020 0.000 1.051 145 I HN -0.027 nan 8.210 nan 0.000 0.409 146 L N 0.201 121.441 121.223 0.028 0.000 2.012 146 L HA -0.280 4.078 4.340 0.030 0.000 0.210 146 L C 2.498 179.385 176.870 0.029 0.000 1.073 146 L CA 1.934 56.791 54.840 0.028 0.000 0.748 146 L CB -0.949 41.136 42.059 0.042 0.000 0.891 146 L HN 0.266 nan 8.230 nan 0.000 0.431 147 Y N 0.175 120.436 120.300 -0.066 0.000 2.114 147 Y HA -0.286 4.282 4.550 0.030 0.000 0.284 147 Y C 2.708 178.541 175.900 -0.112 0.000 1.143 147 Y CA 2.039 60.098 58.100 -0.068 0.000 1.135 147 Y CB -0.142 38.271 38.460 -0.078 0.000 0.980 147 Y HN 0.121 nan 8.280 nan 0.000 0.499 148 R N -0.022 120.411 120.500 -0.112 0.000 2.073 148 R HA -0.145 4.213 4.340 0.030 0.000 0.234 148 R C 2.332 178.574 176.300 -0.096 0.000 1.134 148 R CA 1.900 57.753 56.100 -0.412 0.000 0.952 148 R CB -0.564 29.304 30.300 -0.720 0.000 0.850 148 R HN 0.382 nan 8.270 nan 0.000 0.433 149 L N 0.609 121.796 121.223 -0.061 0.000 2.046 149 L HA -0.229 4.129 4.340 0.030 0.000 0.208 149 L C 2.566 179.424 176.870 -0.020 0.000 1.077 149 L CA 1.498 56.332 54.840 -0.011 0.000 0.747 149 L CB -0.467 41.585 42.059 -0.010 0.000 0.896 149 L HN 0.304 nan 8.230 nan 0.000 0.432 150 Q N -0.716 119.048 119.800 -0.061 0.000 2.083 150 Q HA -0.225 4.133 4.340 0.030 0.000 0.198 150 Q C 2.266 178.209 176.000 -0.095 0.000 0.969 150 Q CA 1.585 57.342 55.803 -0.075 0.000 0.838 150 Q CB -0.104 28.582 28.738 -0.087 0.000 0.900 150 Q HN 0.477 nan 8.270 nan 0.000 0.436 151 M N 0.552 120.052 119.600 -0.166 0.000 2.086 151 M HA -0.162 4.336 4.480 0.030 0.000 0.261 151 M C 2.075 178.379 176.300 0.007 0.000 1.067 151 M CA 1.939 57.154 55.300 -0.140 0.000 1.116 151 M CB 0.027 32.477 32.600 -0.250 0.000 1.348 151 M HN 0.170 nan 8.290 nan 0.000 0.407 152 S N -0.600 115.167 115.700 0.112 0.000 2.527 152 S HA 0.032 4.521 4.470 0.030 0.000 0.222 152 S C 0.697 175.313 174.600 0.026 0.000 0.985 152 S CA 0.432 58.684 58.200 0.086 0.000 0.921 152 S CB -0.471 62.838 63.200 0.182 0.000 0.772 152 S HN 0.598 nan 8.310 nan 0.000 0.529 153 K N 0.917 121.323 120.400 0.010 0.000 3.077 153 K HA -0.157 4.181 4.320 0.030 0.000 0.264 153 K C 0.145 176.746 176.600 0.002 0.000 1.008 153 K CA 0.249 56.534 56.287 -0.004 0.000 0.740 153 K CB -2.511 29.982 32.500 -0.011 0.000 1.273 153 K HN 0.649 nan 8.250 nan 0.000 0.477 154 A N 1.124 123.953 122.820 0.014 0.000 2.511 154 A HA 0.092 4.430 4.320 0.030 0.000 0.242 154 A C 1.131 178.714 177.584 -0.002 0.000 1.069 154 A CA 0.063 52.108 52.037 0.014 0.000 0.763 154 A CB 0.412 19.429 19.000 0.029 0.000 1.001 154 A HN 0.218 nan 8.150 nan 0.000 0.498 155 K N 0.754 121.153 120.400 -0.002 0.000 2.314 155 K HA 0.292 4.630 4.320 0.030 0.000 0.198 155 K C 0.564 177.154 176.600 -0.017 0.000 1.045 155 K CA 1.288 57.568 56.287 -0.010 0.000 0.988 155 K CB -0.153 32.345 32.500 -0.004 0.000 0.783 155 K HN 0.823 nan 8.250 nan 0.000 0.484 156 A N 0.619 123.434 122.820 -0.008 0.000 2.539 156 A HA 0.726 5.064 4.320 0.030 0.000 0.296 156 A C -1.427 176.160 177.584 0.004 0.000 1.073 156 A CA -0.684 51.347 52.037 -0.010 0.000 0.700 156 A CB 1.466 20.470 19.000 0.006 0.000 1.296 156 A HN 0.141 nan 8.150 nan 0.000 0.405 157 I N 1.520 122.096 120.570 0.009 0.000 2.498 157 I HA 0.622 4.810 4.170 0.030 0.000 0.290 157 I C -1.462 174.723 176.117 0.114 0.000 1.032 157 I CA -0.860 60.476 61.300 0.061 0.000 1.073 157 I CB 1.948 40.001 38.000 0.088 0.000 1.251 157 I HN 0.387 nan 8.210 nan 0.000 0.426 158 V N 7.380 127.342 119.914 0.080 0.000 2.370 158 V HA 0.857 4.996 4.120 0.030 0.000 0.283 158 V C 0.130 176.267 176.094 0.072 0.000 1.023 158 V CA -0.283 62.050 62.300 0.055 0.000 0.857 158 V CB 0.857 32.611 31.823 -0.116 0.000 0.985 158 V HN 0.819 nan 8.190 nan 0.000 0.443 159 A N 3.623 126.512 122.820 0.114 0.000 2.515 159 A HA 0.962 5.301 4.320 0.030 0.000 0.296 159 A C 0.031 177.553 177.584 -0.104 0.000 1.094 159 A CA -0.188 51.862 52.037 0.022 0.000 0.718 159 A CB 1.832 20.874 19.000 0.070 0.000 1.307 159 A HN 1.004 nan 8.150 nan 0.000 0.408 160 G N -0.747 107.987 108.800 -0.111 0.000 2.488 160 G HA2 0.440 4.418 3.960 0.030 0.000 0.318 160 G HA3 0.440 4.418 3.960 0.030 0.000 0.318 160 G C -0.053 174.730 174.900 -0.194 0.000 1.188 160 G CA -0.166 44.859 45.100 -0.125 0.000 0.944 160 G HN 0.580 nan 8.290 nan 0.000 0.495 161 D N 0.149 120.450 120.400 -0.165 0.000 2.191 161 D HA -0.141 4.517 4.640 0.030 0.000 0.195 161 D C 2.158 178.374 176.300 -0.140 0.000 1.003 161 D CA 1.486 55.385 54.000 -0.168 0.000 0.867 161 D CB 0.188 40.932 40.800 -0.093 0.000 0.926 161 D HN 0.629 nan 8.370 nan 0.000 0.450 162 E N -0.708 119.436 120.200 -0.093 0.000 2.427 162 E HA -0.041 4.328 4.350 0.030 0.000 0.196 162 E C 1.872 178.437 176.600 -0.060 0.000 1.028 162 E CA 0.287 56.651 56.400 -0.060 0.000 0.864 162 E CB 0.366 30.046 29.700 -0.034 0.000 0.813 162 E HN 0.342 nan 8.360 nan 0.000 0.514 163 V N -1.841 118.023 119.914 -0.082 0.000 3.556 163 V HA 0.174 4.312 4.120 0.030 0.000 0.287 163 V C 1.727 177.787 176.094 -0.057 0.000 1.422 163 V CA -0.093 62.177 62.300 -0.050 0.000 1.038 163 V CB -0.487 31.322 31.823 -0.024 0.000 0.850 163 V HN 0.312 nan 8.190 nan 0.000 0.437 164 I N -1.081 119.388 120.570 -0.168 0.000 2.394 164 I HA -0.157 4.031 4.170 0.030 0.000 0.251 164 I C 2.378 178.498 176.117 0.004 0.000 1.136 164 I CA 1.713 62.889 61.300 -0.206 0.000 1.425 164 I CB -0.666 36.897 38.000 -0.729 0.000 1.079 164 I HN 0.282 nan 8.210 nan 0.000 0.425 165 Q N 1.038 120.826 119.800 -0.020 0.000 2.124 165 Q HA -0.154 4.204 4.340 0.030 0.000 0.202 165 Q C 2.188 178.220 176.000 0.054 0.000 0.977 165 Q CA 1.456 57.275 55.803 0.028 0.000 0.850 165 Q CB -0.075 28.666 28.738 0.005 0.000 0.901 165 Q HN 0.565 nan 8.270 nan 0.000 0.429 166 E N 0.114 120.340 120.200 0.042 0.000 2.047 166 E HA -0.122 4.246 4.350 0.030 0.000 0.191 166 E C 2.239 178.887 176.600 0.081 0.000 0.987 166 E CA 0.822 57.251 56.400 0.049 0.000 0.799 166 E CB -0.214 29.505 29.700 0.032 0.000 0.752 166 E HN 0.158 nan 8.360 nan 0.000 0.449 167 V N 2.338 122.325 119.914 0.122 0.000 2.287 167 V HA -0.244 3.894 4.120 0.030 0.000 0.248 167 V C 1.700 177.901 176.094 0.177 0.000 1.053 167 V CA 2.086 64.493 62.300 0.178 0.000 1.027 167 V CB -0.479 31.550 31.823 0.343 0.000 0.646 167 V HN 0.118 nan 8.190 nan 0.000 0.447 168 D N -0.506 120.026 120.400 0.221 0.000 2.310 168 D HA -0.092 4.566 4.640 0.030 0.000 0.212 168 D C 2.153 178.515 176.300 0.102 0.000 0.965 168 D CA 1.173 55.285 54.000 0.186 0.000 0.879 168 D CB -0.176 40.772 40.800 0.247 0.000 0.921 168 D HN 0.398 nan 8.370 nan 0.000 0.510 169 T N -0.354 114.250 114.554 0.083 0.000 2.995 169 T HA -0.051 4.317 4.350 0.030 0.000 0.269 169 T C 1.861 176.587 174.700 0.043 0.000 1.091 169 T CA 1.158 63.291 62.100 0.055 0.000 1.128 169 T CB 0.274 69.169 68.868 0.045 0.000 0.891 169 T HN 0.216 nan 8.240 nan 0.000 0.492 170 V N -2.370 117.572 119.914 0.046 0.000 3.451 170 V HA 0.649 4.787 4.120 0.030 0.000 0.288 170 V C 2.187 178.293 176.094 0.020 0.000 1.502 170 V CA 0.274 62.593 62.300 0.031 0.000 1.026 170 V CB -0.511 31.331 31.823 0.031 0.000 0.840 170 V HN 0.225 nan 8.190 nan 0.000 0.437 171 A N 2.266 125.099 122.820 0.022 0.000 1.940 171 A HA -0.184 4.154 4.320 0.030 0.000 0.219 171 A C 2.480 180.048 177.584 -0.027 0.000 1.176 171 A CA 2.624 54.655 52.037 -0.011 0.000 0.631 171 A CB -0.906 18.069 19.000 -0.041 0.000 0.814 171 A HN 1.176 nan 8.150 nan 0.000 0.446 172 S N -0.174 115.516 115.700 -0.016 0.000 2.474 172 S HA -0.122 4.366 4.470 0.030 0.000 0.235 172 S C 1.186 175.778 174.600 -0.013 0.000 0.997 172 S CA 1.323 59.512 58.200 -0.019 0.000 0.949 172 S CB -0.399 62.796 63.200 -0.008 0.000 0.766 172 S HN 0.680 nan 8.310 nan 0.000 0.517 173 E N -0.133 120.063 120.200 -0.007 0.000 2.465 173 E HA 0.177 4.545 4.350 0.030 0.000 0.191 173 E C -0.667 175.926 176.600 -0.012 0.000 1.053 173 E CA -0.285 56.111 56.400 -0.006 0.000 0.869 173 E CB 0.204 29.905 29.700 0.002 0.000 0.977 173 E HN 0.474 nan 8.360 nan 0.000 0.483 174 C N 2.471 121.760 119.300 -0.018 0.000 2.242 174 C HA 0.228 4.706 4.460 0.030 0.000 0.317 174 C C -1.128 173.846 174.990 -0.027 0.000 1.087 174 C CA -1.485 57.519 59.018 -0.022 0.000 1.535 174 C CB 0.243 27.969 27.740 -0.024 0.000 1.893 174 C HN 0.300 nan 8.230 nan 0.000 0.426 175 P HA -0.065 nan 4.420 nan 0.000 0.222 175 P C 1.253 178.538 177.300 -0.025 0.000 1.147 175 P CA 1.210 64.296 63.100 -0.023 0.000 0.790 175 P CB 0.200 31.889 31.700 -0.018 0.000 0.780 176 S N -0.479 115.207 115.700 -0.024 0.000 2.527 176 S HA 0.014 4.502 4.470 0.030 0.000 0.222 176 S C 0.874 175.457 174.600 -0.028 0.000 0.985 176 S CA -0.180 58.007 58.200 -0.022 0.000 0.921 176 S CB -0.587 62.603 63.200 -0.017 0.000 0.772 176 S HN 0.078 nan 8.310 nan 0.000 0.529 177 L N 2.783 123.984 121.223 -0.037 0.000 2.385 177 L HA 0.306 4.664 4.340 0.030 0.000 0.281 177 L C 1.028 177.856 176.870 -0.069 0.000 1.106 177 L CA 0.219 55.028 54.840 -0.052 0.000 0.856 177 L CB 0.381 42.403 42.059 -0.062 0.000 1.186 177 L HN -0.059 nan 8.230 nan 0.000 0.453 178 R N 4.255 124.717 120.500 -0.063 0.000 2.221 178 R HA 0.324 4.682 4.340 0.030 0.000 0.195 178 R C -0.185 176.064 176.300 -0.085 0.000 0.956 178 R CA 0.038 56.100 56.100 -0.063 0.000 1.064 178 R CB 0.548 30.824 30.300 -0.039 0.000 1.049 178 R HN 0.497 nan 8.270 nan 0.000 0.534 179 I N 2.389 122.908 120.570 -0.084 0.000 2.436 179 I HA 0.315 4.503 4.170 0.030 0.000 0.289 179 I C -0.950 175.080 176.117 -0.145 0.000 1.010 179 I CA -0.599 60.648 61.300 -0.087 0.000 1.098 179 I CB 1.878 39.862 38.000 -0.028 0.000 1.266 179 I HN 0.046 nan 8.210 nan 0.000 0.434 180 K N 7.296 127.549 120.400 -0.244 0.000 2.425 180 K HA 0.566 4.905 4.320 0.030 0.000 0.259 180 K C -1.023 175.558 176.600 -0.032 0.000 0.978 180 K CA -0.596 55.427 56.287 -0.439 0.000 0.883 180 K CB 2.308 34.040 32.500 -1.280 0.000 1.110 180 K HN 0.442 nan 8.250 nan 0.000 0.436 181 L N 4.291 125.660 121.223 0.243 0.000 2.287 181 L HA 0.370 4.728 4.340 0.030 0.000 0.287 181 L C -0.836 176.325 176.870 0.486 0.000 1.022 181 L CA -1.104 53.944 54.840 0.345 0.000 0.814 181 L CB 1.164 43.370 42.059 0.244 0.000 1.217 181 L HN 0.380 nan 8.230 nan 0.000 0.420 182 L N 5.390 126.890 121.223 0.462 0.000 2.295 182 L HA 0.480 4.838 4.340 0.030 0.000 0.285 182 L C -0.617 176.333 176.870 0.134 0.000 1.035 182 L CA -0.149 54.802 54.840 0.185 0.000 0.806 182 L CB 1.692 43.775 42.059 0.040 0.000 1.214 182 L HN 0.233 nan 8.230 nan 0.000 0.426 183 V N 5.102 125.029 119.914 0.021 0.000 2.333 183 V HA 0.729 4.867 4.120 0.030 0.000 0.274 183 V C 0.100 176.191 176.094 -0.004 0.000 1.028 183 V CA -0.013 62.308 62.300 0.034 0.000 0.851 183 V CB 0.514 32.298 31.823 -0.065 0.000 1.000 183 V HN 0.897 nan 8.190 nan 0.000 0.456 184 S N 2.966 118.681 115.700 0.026 0.000 2.578 184 S HA 0.343 4.831 4.470 0.030 0.000 0.272 184 S C 0.219 174.832 174.600 0.021 0.000 1.145 184 S CA -0.581 57.617 58.200 -0.003 0.000 0.835 184 S CB 1.952 65.124 63.200 -0.047 0.000 1.104 184 S HN 0.629 nan 8.310 nan 0.000 0.458 185 E N 1.357 121.567 120.200 0.015 0.000 2.427 185 E HA 0.152 4.521 4.350 0.030 0.000 0.196 185 E C 0.022 176.632 176.600 0.017 0.000 1.028 185 E CA 0.769 57.182 56.400 0.021 0.000 0.864 185 E CB 0.051 29.765 29.700 0.024 0.000 0.813 185 E HN 0.439 nan 8.360 nan 0.000 0.514 186 K N 0.024 120.428 120.400 0.007 0.000 2.258 186 K HA 0.472 4.810 4.320 0.030 0.000 0.236 186 K C -0.062 176.544 176.600 0.011 0.000 1.008 186 K CA -0.599 55.692 56.287 0.006 0.000 0.869 186 K CB 1.829 34.326 32.500 -0.004 0.000 1.171 186 K HN -0.226 nan 8.250 nan 0.000 0.447 187 S N 0.026 115.739 115.700 0.022 0.000 2.654 187 S HA 0.405 4.893 4.470 0.030 0.000 0.283 187 S C -1.078 173.545 174.600 0.038 0.000 1.180 187 S CA -0.681 57.545 58.200 0.044 0.000 1.021 187 S CB 1.226 64.459 63.200 0.054 0.000 1.018 187 S HN 0.594 nan 8.310 nan 0.000 0.532 188 C N 1.857 121.205 119.300 0.080 0.000 2.535 188 C HA 0.644 5.122 4.460 0.030 0.000 0.319 188 C C 0.220 175.340 174.990 0.218 0.000 1.171 188 C CA -0.614 58.467 59.018 0.105 0.000 1.394 188 C CB -0.079 27.659 27.740 -0.002 0.000 1.990 188 C HN 1.027 nan 8.230 nan 0.000 0.466 189 D N 2.286 122.785 120.400 0.165 0.000 2.571 189 D HA 0.381 5.040 4.640 0.030 0.000 0.231 189 D C 1.529 177.956 176.300 0.213 0.000 1.133 189 D CA 0.912 55.003 54.000 0.151 0.000 0.862 189 D CB 0.112 40.973 40.800 0.102 0.000 1.179 189 D HN 2.351 nan 8.370 nan 0.000 0.474 190 G N 0.211 109.080 108.800 0.116 0.000 2.184 190 G HA2 -0.232 3.747 3.960 0.030 0.000 0.264 190 G HA3 -0.232 3.747 3.960 0.030 0.000 0.264 190 G C 0.058 174.863 174.900 -0.159 0.000 0.975 190 G CA 0.538 45.633 45.100 -0.008 0.000 0.642 190 G HN 0.830 nan 8.290 nan 0.000 0.536 191 W N 0.410 121.724 121.300 0.023 0.000 2.587 191 W HA 0.734 5.412 4.660 0.030 0.000 0.324 191 W C 0.517 177.058 176.519 0.036 0.000 1.040 191 W CA -1.089 56.274 57.345 0.030 0.000 1.222 191 W CB 0.924 30.403 29.460 0.031 0.000 1.381 191 W HN 0.041 nan 8.180 nan 0.000 0.483 192 L N 3.659 125.020 121.223 0.230 0.000 2.416 192 L HA 0.084 4.442 4.340 0.030 0.000 0.272 192 L C 0.820 177.830 176.870 0.233 0.000 1.161 192 L CA -0.201 54.748 54.840 0.181 0.000 0.845 192 L CB 0.274 42.411 42.059 0.129 0.000 1.119 192 L HN 0.399 nan 8.230 nan 0.000 0.464 193 N N 2.588 121.386 118.700 0.164 0.000 2.555 193 N HA -0.036 4.723 4.740 0.030 0.000 0.244 193 N C 0.616 176.212 175.510 0.145 0.000 1.114 193 N CA 0.027 53.166 53.050 0.148 0.000 0.963 193 N CB 0.275 38.815 38.487 0.089 0.000 1.276 193 N HN 0.524 nan 8.380 nan 0.000 0.510 194 F N 4.245 124.234 119.950 0.064 0.000 2.095 194 F HA -0.175 4.369 4.527 0.030 0.000 0.298 194 F C 1.727 177.546 175.800 0.032 0.000 1.104 194 F CA 1.695 59.722 58.000 0.046 0.000 1.232 194 F CB 0.266 39.292 39.000 0.044 0.000 0.987 194 F HN 0.400 nan 8.300 nan 0.000 0.475 195 K N -0.131 120.338 120.400 0.115 0.000 2.148 195 K HA -0.158 4.180 4.320 0.030 0.000 0.204 195 K C 2.349 178.894 176.600 -0.090 0.000 1.050 195 K CA 1.430 57.721 56.287 0.005 0.000 0.942 195 K CB -0.238 32.330 32.500 0.114 0.000 0.724 195 K HN 0.095 nan 8.250 nan 0.000 0.446 196 K N 1.170 121.539 120.400 -0.051 0.000 2.062 196 K HA 0.021 4.360 4.320 0.030 0.000 0.205 196 K C 1.972 178.514 176.600 -0.097 0.000 1.051 196 K CA 0.693 56.949 56.287 -0.052 0.000 0.941 196 K CB -0.528 31.963 32.500 -0.014 0.000 0.719 196 K HN 0.195 nan 8.250 nan 0.000 0.440 197 L N 0.382 121.524 121.223 -0.134 0.000 2.083 197 L HA -0.086 4.272 4.340 0.030 0.000 0.209 197 L C 2.603 179.332 176.870 -0.236 0.000 1.083 197 L CA 1.235 55.980 54.840 -0.159 0.000 0.752 197 L CB -0.525 41.449 42.059 -0.142 0.000 0.899 197 L HN 0.244 nan 8.230 nan 0.000 0.433 198 L N 0.214 121.193 121.223 -0.406 0.000 2.042 198 L HA -0.239 4.120 4.340 0.030 0.000 0.210 198 L C 2.021 178.786 176.870 -0.175 0.000 1.076 198 L CA 1.914 56.524 54.840 -0.384 0.000 0.749 198 L CB -0.631 41.122 42.059 -0.510 0.000 0.893 198 L HN 0.221 nan 8.230 nan 0.000 0.432 199 N N -0.671 117.950 118.700 -0.132 0.000 2.270 199 N HA -0.141 4.618 4.740 0.030 0.000 0.181 199 N C 1.541 177.018 175.510 -0.056 0.000 1.016 199 N CA 1.195 54.202 53.050 -0.071 0.000 0.870 199 N CB 0.034 38.489 38.487 -0.054 0.000 0.979 199 N HN 0.476 nan 8.380 nan 0.000 0.431 200 E N -0.168 119.993 120.200 -0.065 0.000 2.427 200 E HA 0.111 4.480 4.350 0.030 0.000 0.196 200 E C 0.167 176.743 176.600 -0.041 0.000 1.028 200 E CA -0.037 56.336 56.400 -0.045 0.000 0.864 200 E CB 0.229 29.903 29.700 -0.043 0.000 0.813 200 E HN 0.307 nan 8.360 nan 0.000 0.514 201 A N 1.278 124.065 122.820 -0.055 0.000 2.332 201 A HA 0.265 4.604 4.320 0.030 0.000 0.258 201 A C 0.281 177.858 177.584 -0.011 0.000 1.087 201 A CA -0.379 51.635 52.037 -0.037 0.000 0.802 201 A CB 0.882 19.846 19.000 -0.060 0.000 1.042 201 A HN 0.096 nan 8.150 nan 0.000 0.489 202 S N -0.208 115.499 115.700 0.011 0.000 2.564 202 S HA 0.231 4.719 4.470 0.030 0.000 0.278 202 S C 1.301 175.926 174.600 0.042 0.000 1.333 202 S CA 0.231 58.447 58.200 0.028 0.000 1.048 202 S CB 0.295 63.520 63.200 0.041 0.000 0.900 202 S HN 1.237 nan 8.310 nan 0.000 0.505 203 T N 1.258 115.836 114.554 0.040 0.000 3.215 203 T HA 0.156 4.525 4.350 0.030 0.000 0.254 203 T C 0.374 175.115 174.700 0.069 0.000 1.149 203 T CA -0.037 62.093 62.100 0.049 0.000 1.042 203 T CB -0.536 68.354 68.868 0.037 0.000 0.966 203 T HN 0.494 nan 8.240 nan 0.000 0.534 204 T N 2.708 117.316 114.554 0.089 0.000 2.770 204 T HA 0.355 4.724 4.350 0.030 0.000 0.283 204 T C -1.112 173.713 174.700 0.208 0.000 0.988 204 T CA -0.639 61.531 62.100 0.117 0.000 0.957 204 T CB 1.052 69.979 68.868 0.099 0.000 0.930 204 T HN 0.429 nan 8.240 nan 0.000 0.443 205 H N 2.706 121.845 119.070 0.115 0.000 2.667 205 H HA 0.298 4.871 4.556 0.029 0.000 0.353 205 H C -1.031 174.420 175.328 0.204 0.000 1.072 205 H CA -0.653 55.493 56.048 0.163 0.000 1.214 205 H CB 1.065 30.880 29.762 0.088 0.000 1.600 205 H HN 0.560 nan 8.280 nan 0.000 0.527 206 H N 3.136 121.888 119.070 -0.529 0.000 2.864 206 H HA 0.084 4.658 4.556 0.029 0.000 0.281 206 H C 0.319 175.397 175.328 -0.418 0.000 1.093 206 H CA -0.160 55.676 56.048 -0.354 0.000 1.453 206 H CB -0.169 29.438 29.762 -0.258 0.000 1.462 206 H HN 0.437 nan 8.280 nan 0.000 0.480 207 C N 5.109 124.385 119.300 -0.040 0.000 2.596 207 C HA 0.085 4.564 4.460 0.030 0.000 0.414 207 C C 0.712 175.707 174.990 0.008 0.000 1.396 207 C CA -0.598 58.460 59.018 0.067 0.000 1.698 207 C CB -0.980 26.785 27.740 0.041 0.000 2.572 207 C HN 0.601 nan 8.230 nan 0.000 0.604 208 V N 7.852 127.794 119.914 0.048 0.000 2.655 208 V HA 0.073 4.211 4.120 0.030 0.000 0.300 208 V C 0.863 176.913 176.094 -0.072 0.000 1.044 208 V CA 0.480 62.774 62.300 -0.010 0.000 1.095 208 V CB 0.704 32.533 31.823 0.010 0.000 0.952 208 V HN 0.776 nan 8.190 nan 0.000 0.485 209 E N 3.491 123.649 120.200 -0.071 0.000 1.972 209 E HA 0.093 4.461 4.350 0.030 0.000 0.292 209 E C 0.512 177.042 176.600 -0.118 0.000 1.193 209 E CA -0.145 56.202 56.400 -0.088 0.000 1.228 209 E CB -0.165 29.502 29.700 -0.055 0.000 1.167 209 E HN 0.859 nan 8.360 nan 0.000 0.479 210 T N -1.230 113.189 114.554 -0.226 0.000 2.919 210 T HA 0.304 4.673 4.350 0.030 0.000 0.302 210 T C 0.849 175.454 174.700 -0.157 0.000 1.031 210 T CA -0.746 61.151 62.100 -0.339 0.000 1.127 210 T CB 1.561 69.811 68.868 -1.029 0.000 0.952 210 T HN 0.248 nan 8.240 nan 0.000 0.540 211 G N 1.174 109.954 108.800 -0.034 0.000 2.467 211 G HA2 0.337 4.315 3.960 0.030 0.000 0.257 211 G HA3 0.337 4.315 3.960 0.030 0.000 0.257 211 G C 0.938 175.949 174.900 0.186 0.000 1.227 211 G CA -0.761 44.384 45.100 0.075 0.000 0.835 211 G HN 0.739 nan 8.290 nan 0.000 0.556 212 S N 0.752 116.569 115.700 0.196 0.000 2.400 212 S HA -0.146 4.342 4.470 0.030 0.000 0.232 212 S C 2.051 176.776 174.600 0.208 0.000 1.025 212 S CA 1.484 59.833 58.200 0.248 0.000 0.993 212 S CB -0.068 63.235 63.200 0.171 0.000 0.808 212 S HN 0.725 nan 8.310 nan 0.000 0.478 213 Q N 0.015 119.907 119.800 0.153 0.000 2.247 213 Q HA 0.227 4.585 4.340 0.030 0.000 0.211 213 Q C 0.251 176.316 176.000 0.109 0.000 0.861 213 Q CA -0.182 55.678 55.803 0.095 0.000 0.949 213 Q CB 0.505 29.277 28.738 0.056 0.000 1.115 213 Q HN 0.510 nan 8.270 nan 0.000 0.507 214 E N 0.916 121.240 120.200 0.207 0.000 2.392 214 E HA 0.269 4.638 4.350 0.030 0.000 0.264 214 E C -0.687 176.033 176.600 0.201 0.000 1.024 214 E CA -0.333 56.208 56.400 0.234 0.000 0.903 214 E CB 0.700 30.587 29.700 0.312 0.000 0.963 214 E HN 0.211 nan 8.360 nan 0.000 0.432 215 A N 3.418 126.280 122.820 0.070 0.000 2.492 215 A HA 0.078 4.417 4.320 0.030 0.000 0.254 215 A C 0.738 178.175 177.584 -0.245 0.000 1.091 215 A CA 0.363 52.345 52.037 -0.091 0.000 0.768 215 A CB 0.842 19.791 19.000 -0.085 0.000 1.028 215 A HN 0.633 nan 8.150 nan 0.000 0.498 216 S N 1.181 116.564 115.700 -0.530 0.000 2.564 216 S HA 0.541 5.030 4.470 0.030 0.000 0.231 216 S C 0.558 174.714 174.600 -0.740 0.000 1.067 216 S CA 0.879 58.594 58.200 -0.807 0.000 0.908 216 S CB -0.030 62.528 63.200 -1.070 0.000 0.809 216 S HN 1.743 nan 8.310 nan 0.000 0.491 217 A N 0.518 122.937 122.820 -0.668 0.000 2.594 217 A HA 0.749 5.087 4.320 0.030 0.000 0.295 217 A C -1.644 175.692 177.584 -0.414 0.000 1.071 217 A CA -0.616 50.884 52.037 -0.894 0.000 0.685 217 A CB 1.046 19.287 19.000 -1.266 0.000 1.285 217 A HN 0.355 nan 8.150 nan 0.000 0.405 218 I N 1.221 121.536 120.570 -0.424 0.000 2.447 218 I HA 0.384 4.572 4.170 0.030 0.000 0.287 218 I C -1.576 174.367 176.117 -0.290 0.000 1.023 218 I CA -0.343 60.808 61.300 -0.248 0.000 1.083 218 I CB 1.731 39.579 38.000 -0.254 0.000 1.245 218 I HN 0.648 nan 8.210 nan 0.000 0.434 219 Y N 5.417 125.705 120.300 -0.019 0.000 2.335 219 Y HA 0.447 5.013 4.550 0.028 0.000 0.338 219 Y C -0.234 175.704 175.900 0.064 0.000 0.977 219 Y CA -0.480 57.677 58.100 0.095 0.000 1.114 219 Y CB 1.382 39.916 38.460 0.123 0.000 1.182 219 Y HN 0.328 nan 8.280 nan 0.000 0.463 220 F N 2.164 122.260 119.950 0.243 0.000 2.443 220 F HA 0.237 4.785 4.527 0.034 0.000 0.353 220 F C 1.180 177.092 175.800 0.187 0.000 1.101 220 F CA -0.253 57.869 58.000 0.203 0.000 1.226 220 F CB 0.983 40.091 39.000 0.180 0.000 1.140 220 F HN 0.506 nan 8.300 nan 0.000 0.557 221 T N -0.948 113.786 114.554 0.299 0.000 2.924 221 T HA 0.557 4.925 4.350 0.030 0.000 0.301 221 T C -0.306 174.480 174.700 0.143 0.000 1.120 221 T CA -0.851 61.358 62.100 0.182 0.000 0.940 221 T CB 0.925 69.877 68.868 0.140 0.000 1.591 221 T HN 0.424 nan 8.240 nan 0.000 0.578 222 S N 0.059 115.794 115.700 0.060 0.000 2.789 222 S HA 0.656 5.144 4.470 0.030 0.000 0.286 222 S C 0.157 174.750 174.600 -0.011 0.000 1.153 222 S CA -0.924 57.285 58.200 0.016 0.000 1.084 222 S CB 1.055 64.246 63.200 -0.014 0.000 1.036 222 S HN 1.118 nan 8.310 nan 0.000 0.484 227 L N 1.877 123.077 121.223 -0.037 0.000 2.483 227 L HA 0.267 4.625 4.340 0.030 0.000 0.275 227 L C -1.799 175.076 176.870 0.009 0.000 1.220 227 L CA -1.120 53.693 54.840 -0.044 0.000 0.833 227 L CB 0.555 42.643 42.059 0.048 0.000 1.102 227 L HN 0.220 nan 8.230 nan 0.000 0.490 228 P HA 0.065 nan 4.420 nan 0.000 0.265 228 P C -1.168 176.323 177.300 0.318 0.000 1.193 228 P CA 0.199 63.410 63.100 0.184 0.000 0.765 228 P CB 0.454 32.309 31.700 0.258 0.000 0.823 229 K N 2.415 122.922 120.400 0.178 0.000 2.118 229 K HA 0.511 4.849 4.320 0.030 0.000 0.254 229 K C 0.009 176.644 176.600 0.058 0.000 0.961 229 K CA -0.677 55.653 56.287 0.073 0.000 0.876 229 K CB 1.162 33.531 32.500 -0.219 0.000 1.077 229 K HN 0.415 nan 8.250 nan 0.000 0.440 230 M N 2.303 121.881 119.600 -0.036 0.000 2.069 230 M HA 0.219 4.717 4.480 0.030 0.000 0.349 230 M C -0.513 175.840 176.300 0.089 0.000 1.194 230 M CA -0.502 54.636 55.300 -0.270 0.000 1.081 230 M CB 1.284 33.634 32.600 -0.417 0.000 1.500 230 M HN 0.632 nan 8.290 nan 0.000 0.438 231 A N 3.852 126.765 122.820 0.154 0.000 2.376 231 A HA 0.220 4.558 4.320 0.030 0.000 0.298 231 A C -0.012 177.651 177.584 0.132 0.000 1.271 231 A CA -0.381 51.814 52.037 0.265 0.000 0.926 231 A CB 0.002 19.089 19.000 0.145 0.000 1.141 231 A HN 0.789 nan 8.150 nan 0.000 0.539 232 E N 3.008 123.207 120.200 -0.001 0.000 2.229 232 E HA 0.225 4.593 4.350 0.030 0.000 0.283 232 E C -0.879 175.595 176.600 -0.210 0.000 1.030 232 E CA -0.392 55.933 56.400 -0.126 0.000 0.836 232 E CB 0.437 30.023 29.700 -0.191 0.000 1.068 232 E HN 0.780 nan 8.360 nan 0.000 0.401 233 H N 1.604 120.625 119.070 -0.082 0.000 2.529 233 H HA 0.238 4.811 4.556 0.029 0.000 0.348 233 H C -0.050 175.174 175.328 -0.175 0.000 1.152 233 H CA -0.494 55.501 56.048 -0.087 0.000 1.202 233 H CB 2.009 31.749 29.762 -0.037 0.000 1.562 233 H HN 0.615 nan 8.280 nan 0.000 0.515 234 S N 1.218 116.922 115.700 0.008 0.000 2.730 234 S HA 0.142 4.630 4.470 0.030 0.000 0.284 234 S C 0.917 175.489 174.600 -0.047 0.000 1.153 234 S CA -0.610 57.558 58.200 -0.052 0.000 0.995 234 S CB 0.621 63.831 63.200 0.016 0.000 1.058 234 S HN 0.548 nan 8.310 nan 0.000 0.552 235 Y N 1.011 121.409 120.300 0.163 0.000 2.207 235 Y HA -0.143 4.421 4.550 0.023 0.000 0.287 235 Y C 3.147 179.227 175.900 0.300 0.000 1.156 235 Y CA 1.807 60.076 58.100 0.282 0.000 1.182 235 Y CB -0.573 38.080 38.460 0.322 0.000 0.979 235 Y HN 0.844 nan 8.280 nan 0.000 0.521 236 S N -1.367 114.489 115.700 0.260 0.000 2.421 236 S HA -0.127 4.361 4.470 0.030 0.000 0.224 236 S C 2.141 176.719 174.600 -0.037 0.000 1.035 236 S CA 0.605 58.796 58.200 -0.014 0.000 0.953 236 S CB -0.883 62.291 63.200 -0.043 0.000 0.810 236 S HN 0.445 nan 8.310 nan 0.000 0.497 237 S N 2.020 117.746 115.700 0.042 0.000 2.423 237 S HA 0.084 4.572 4.470 0.030 0.000 0.231 237 S C 1.756 176.381 174.600 0.042 0.000 1.014 237 S CA 0.869 59.117 58.200 0.081 0.000 0.965 237 S CB -0.736 62.588 63.200 0.206 0.000 0.785 237 S HN 0.543 nan 8.310 nan 0.000 0.495 238 L N 0.625 121.860 121.223 0.021 0.000 2.187 238 L HA 0.313 4.671 4.340 0.030 0.000 0.197 238 L C 3.039 179.918 176.870 0.016 0.000 1.090 238 L CA 0.929 55.747 54.840 -0.038 0.000 0.781 238 L CB -1.180 40.870 42.059 -0.016 0.000 0.956 238 L HN 0.456 nan 8.230 nan 0.000 0.463 239 G N -0.150 108.745 108.800 0.158 0.000 2.408 239 G HA2 -0.169 3.809 3.960 0.030 0.000 0.215 239 G HA3 -0.169 3.809 3.960 0.030 0.000 0.215 239 G C 1.505 176.544 174.900 0.230 0.000 1.156 239 G CA 0.333 45.678 45.100 0.409 0.000 0.793 239 G HN 0.123 nan 8.290 nan 0.000 0.535 240 L N 0.668 121.686 121.223 -0.343 0.000 2.131 240 L HA 0.271 4.629 4.340 0.030 0.000 0.206 240 L C 2.541 179.295 176.870 -0.193 0.000 1.087 240 L CA 1.880 56.340 54.840 -0.633 0.000 0.767 240 L CB -0.506 41.010 42.059 -0.906 0.000 0.917 240 L HN 0.171 nan 8.230 nan 0.000 0.441 241 K N 0.409 120.729 120.400 -0.133 0.000 2.026 241 K HA -0.077 4.261 4.320 0.030 0.000 0.208 241 K C 2.009 178.593 176.600 -0.027 0.000 1.048 241 K CA 1.820 58.048 56.287 -0.098 0.000 0.929 241 K CB -0.705 31.732 32.500 -0.105 0.000 0.713 241 K HN 0.349 nan 8.250 nan 0.000 0.439 242 A N 1.017 123.859 122.820 0.036 0.000 1.883 242 A HA -0.228 4.110 4.320 0.030 0.000 0.217 242 A C 2.188 179.905 177.584 0.220 0.000 1.186 242 A CA 2.071 54.185 52.037 0.129 0.000 0.624 242 A CB -0.668 18.407 19.000 0.126 0.000 0.822 242 A HN 0.446 nan 8.150 nan 0.000 0.444 243 K N -1.082 119.475 120.400 0.263 0.000 2.063 243 K HA -0.142 4.196 4.320 0.030 0.000 0.208 243 K C 2.076 178.771 176.600 0.159 0.000 1.048 243 K CA 1.903 58.348 56.287 0.263 0.000 0.928 243 K CB -0.235 32.422 32.500 0.261 0.000 0.713 243 K HN 0.563 nan 8.250 nan 0.000 0.442 244 M N 0.373 120.022 119.600 0.080 0.000 2.200 244 M HA -0.125 4.373 4.480 0.030 0.000 0.265 244 M C 1.179 177.518 176.300 0.066 0.000 1.066 244 M CA 1.206 56.532 55.300 0.044 0.000 1.127 244 M CB 0.031 32.617 32.600 -0.024 0.000 1.379 244 M HN 0.021 nan 8.290 nan 0.000 0.420 245 D N 1.077 121.524 120.400 0.079 0.000 2.312 245 D HA 0.073 4.732 4.640 0.030 0.000 0.211 245 D C 0.523 177.005 176.300 0.304 0.000 0.964 245 D CA 0.363 54.447 54.000 0.139 0.000 0.877 245 D CB -0.160 40.699 40.800 0.098 0.000 0.924 245 D HN 0.211 nan 8.370 nan 0.000 0.515 246 A N -0.060 122.909 122.820 0.249 0.000 2.548 246 A HA 0.407 4.745 4.320 0.030 0.000 0.247 246 A C 1.552 179.258 177.584 0.203 0.000 1.067 246 A CA 0.804 52.992 52.037 0.252 0.000 0.757 246 A CB -0.084 19.069 19.000 0.254 0.000 0.996 246 A HN 0.342 nan 8.150 nan 0.000 0.504 247 G N 1.626 110.509 108.800 0.138 0.000 2.175 247 G HA2 -0.284 3.694 3.960 0.030 0.000 0.244 247 G HA3 -0.284 3.694 3.960 0.030 0.000 0.244 247 G C 0.934 175.868 174.900 0.057 0.000 0.982 247 G CA 0.777 45.916 45.100 0.065 0.000 0.641 247 G HN 1.654 nan 8.290 nan 0.000 0.527 248 W N 1.679 123.013 121.300 0.056 0.000 2.364 248 W HA -0.139 4.539 4.660 0.030 0.000 0.281 248 W C 1.682 178.229 176.519 0.047 0.000 1.219 248 W CA 2.319 59.690 57.345 0.042 0.000 1.220 248 W CB -1.657 27.818 29.460 0.025 0.000 1.127 248 W HN 0.688 nan 8.180 nan 0.000 0.556 249 T N -1.916 112.063 114.554 -0.958 0.000 2.962 249 T HA 0.213 4.581 4.350 0.030 0.000 0.270 249 T C 1.888 176.379 174.700 -0.348 0.000 1.088 249 T CA 1.797 63.324 62.100 -0.955 0.000 1.127 249 T CB -0.741 67.594 68.868 -0.887 0.000 0.883 249 T HN 0.631 nan 8.240 nan 0.000 0.493 250 G N 0.495 109.186 108.800 -0.182 0.000 2.194 250 G HA2 -0.185 3.793 3.960 0.030 0.000 0.236 250 G HA3 -0.185 3.793 3.960 0.030 0.000 0.236 250 G C -0.114 174.761 174.900 -0.041 0.000 0.987 250 G CA -0.082 44.981 45.100 -0.061 0.000 0.635 250 G HN 0.689 nan 8.290 nan 0.000 0.520 251 L N 1.431 122.609 121.223 -0.075 0.000 2.525 251 L HA 0.502 4.861 4.340 0.030 0.000 0.278 251 L C 0.632 177.517 176.870 0.024 0.000 1.218 251 L CA 0.825 55.655 54.840 -0.017 0.000 0.878 251 L CB 0.560 42.606 42.059 -0.021 0.000 1.127 251 L HN 0.463 nan 8.230 nan 0.000 0.492 252 Q N 2.628 122.455 119.800 0.044 0.000 2.378 252 Q HA 0.534 4.892 4.340 0.030 0.000 0.276 252 Q C 0.863 176.894 176.000 0.051 0.000 1.083 252 Q CA -0.316 55.520 55.803 0.054 0.000 0.856 252 Q CB 1.532 30.302 28.738 0.053 0.000 1.383 252 Q HN 0.783 nan 8.270 nan 0.000 0.458 253 A N 0.448 123.287 122.820 0.032 0.000 1.986 253 A HA -0.165 4.173 4.320 0.030 0.000 0.220 253 A C 1.427 179.005 177.584 -0.011 0.000 1.171 253 A CA 2.160 54.173 52.037 -0.039 0.000 0.640 253 A CB -0.420 18.547 19.000 -0.054 0.000 0.811 253 A HN 0.619 nan 8.150 nan 0.000 0.451 254 S N -0.400 115.326 115.700 0.042 0.000 2.561 254 S HA 0.313 4.801 4.470 0.030 0.000 0.245 254 S C -0.625 174.046 174.600 0.119 0.000 1.001 254 S CA -0.672 57.573 58.200 0.075 0.000 1.002 254 S CB -0.063 63.181 63.200 0.073 0.000 0.805 254 S HN 0.389 nan 8.310 nan 0.000 0.458 255 D N 1.342 121.815 120.400 0.123 0.000 2.384 255 D HA 0.554 5.213 4.640 0.030 0.000 0.250 255 D C -0.353 176.056 176.300 0.182 0.000 1.029 255 D CA -0.644 53.446 54.000 0.151 0.000 0.990 255 D CB 1.140 42.009 40.800 0.115 0.000 1.175 255 D HN 0.174 nan 8.370 nan 0.000 0.532 256 I N 1.034 121.720 120.570 0.194 0.000 2.389 256 I HA 0.316 4.504 4.170 0.030 0.000 0.288 256 I C -0.331 175.881 176.117 0.158 0.000 0.999 256 I CA -0.513 60.910 61.300 0.205 0.000 1.129 256 I CB 1.531 39.662 38.000 0.218 0.000 1.288 256 I HN 0.053 nan 8.210 nan 0.000 0.444 257 M N 6.349 126.049 119.600 0.166 0.000 2.336 257 M HA 0.374 4.872 4.480 0.030 0.000 0.342 257 M C -1.736 174.707 176.300 0.238 0.000 1.128 257 M CA -0.464 54.926 55.300 0.150 0.000 1.016 257 M CB 1.948 34.606 32.600 0.098 0.000 1.665 257 M HN 0.617 nan 8.290 nan 0.000 0.445 258 W N 5.281 126.577 121.300 -0.005 0.000 2.296 258 W HA 0.461 5.139 4.660 0.030 0.000 0.316 258 W C -1.297 175.219 176.519 -0.005 0.000 1.022 258 W CA -0.619 56.734 57.345 0.014 0.000 1.324 258 W CB 1.080 30.495 29.460 -0.074 0.000 1.227 258 W HN 0.523 nan 8.180 nan 0.000 0.409 259 T N 7.546 122.222 114.554 0.203 0.000 2.767 259 T HA 0.456 4.824 4.350 0.030 0.000 0.288 259 T C 0.089 174.713 174.700 -0.126 0.000 0.963 259 T CA -0.261 61.832 62.100 -0.012 0.000 1.019 259 T CB 0.633 69.536 68.868 0.059 0.000 0.923 259 T HN 0.168 nan 8.240 nan 0.000 0.468 260 I N 3.307 123.672 120.570 -0.341 0.000 2.306 260 I HA 0.463 4.652 4.170 0.030 0.000 0.288 260 I C 0.347 176.358 176.117 -0.177 0.000 1.036 260 I CA -0.154 60.928 61.300 -0.363 0.000 1.221 260 I CB 0.875 38.531 38.000 -0.573 0.000 1.385 260 I HN 0.506 nan 8.210 nan 0.000 0.472 261 S N 4.840 120.417 115.700 -0.205 0.000 2.547 261 S HA 0.183 4.672 4.470 0.030 0.000 0.270 261 S C -1.234 172.942 174.600 -0.707 0.000 1.150 261 S CA -0.820 57.172 58.200 -0.347 0.000 0.850 261 S CB 1.875 65.008 63.200 -0.111 0.000 1.118 261 S HN 0.639 nan 8.310 nan 0.000 0.461 262 D N 1.735 121.242 120.400 -1.488 0.000 2.424 262 D HA 0.075 4.733 4.640 0.030 0.000 0.244 262 D C 1.583 177.330 176.300 -0.923 0.000 1.134 262 D CA 0.569 53.786 54.000 -1.304 0.000 0.881 262 D CB 1.522 41.189 40.800 -1.889 0.000 1.191 262 D HN 0.738 nan 8.370 nan 0.000 0.445 263 T N 0.421 114.526 114.554 -0.748 0.000 3.007 263 T HA -0.027 4.341 4.350 0.030 0.000 0.270 263 T C 1.676 176.054 174.700 -0.538 0.000 1.107 263 T CA 0.822 62.319 62.100 -1.004 0.000 1.118 263 T CB -0.086 67.928 68.868 -1.424 0.000 0.889 263 T HN 0.406 nan 8.240 nan 0.000 0.506 264 G N -0.199 108.439 108.800 -0.269 0.000 2.623 264 G HA2 0.158 4.137 3.960 0.030 0.000 0.214 264 G HA3 0.158 4.137 3.960 0.030 0.000 0.214 264 G C 0.069 175.201 174.900 0.387 0.000 1.138 264 G CA -0.558 44.608 45.100 0.109 0.000 0.794 264 G HN 0.424 nan 8.290 nan 0.000 0.535 265 W N -0.121 121.209 121.300 0.050 0.000 2.316 265 W HA 0.458 5.136 4.660 0.029 0.000 0.321 265 W C 1.181 177.663 176.519 -0.061 0.000 1.203 265 W CA -2.117 55.229 57.345 0.002 0.000 1.214 265 W CB 0.633 30.036 29.460 -0.096 0.000 1.169 265 W HN -0.118 nan 8.180 nan 0.000 0.561 266 I N 2.562 123.054 120.570 -0.131 0.000 2.530 266 I HA -0.308 3.880 4.170 0.030 0.000 0.257 266 I C 2.170 178.184 176.117 -0.172 0.000 1.179 266 I CA 0.883 61.851 61.300 -0.552 0.000 1.440 266 I CB -0.021 37.437 38.000 -0.903 0.000 1.087 266 I HN 0.371 nan 8.210 nan 0.000 0.440 267 L N 1.240 122.445 121.223 -0.031 0.000 2.043 267 L HA -0.314 4.045 4.340 0.030 0.000 0.212 267 L C 2.000 178.885 176.870 0.025 0.000 1.075 267 L CA 2.189 57.045 54.840 0.026 0.000 0.752 267 L CB -1.146 40.985 42.059 0.120 0.000 0.891 267 L HN 0.305 nan 8.230 nan 0.000 0.432 268 N N -0.626 118.075 118.700 0.001 0.000 2.104 268 N HA -0.235 4.523 4.740 0.030 0.000 0.190 268 N C 1.832 177.319 175.510 -0.039 0.000 1.024 268 N CA 1.771 54.739 53.050 -0.137 0.000 0.853 268 N CB -0.318 37.867 38.487 -0.503 0.000 1.008 268 N HN 0.491 nan 8.380 nan 0.000 0.424 269 I N 0.124 120.763 120.570 0.114 0.000 2.202 269 I HA -0.165 4.023 4.170 0.030 0.000 0.242 269 I C 1.847 177.970 176.117 0.009 0.000 1.091 269 I CA 1.044 62.437 61.300 0.155 0.000 1.368 269 I CB -0.070 38.114 38.000 0.306 0.000 1.058 269 I HN 0.193 nan 8.210 nan 0.000 0.410 270 L N -1.001 120.214 121.223 -0.014 0.000 2.027 270 L HA -0.245 4.113 4.340 0.030 0.000 0.206 270 L C 2.526 179.421 176.870 0.041 0.000 1.074 270 L CA 1.413 56.244 54.840 -0.014 0.000 0.745 270 L CB -0.538 41.502 42.059 -0.032 0.000 0.898 270 L HN 0.398 nan 8.230 nan 0.000 0.433 271 C N -2.388 116.944 119.300 0.053 0.000 2.535 271 C HA 0.067 4.545 4.460 0.030 0.000 0.310 271 C C 3.158 178.173 174.990 0.042 0.000 1.344 271 C CA 0.514 59.578 59.018 0.075 0.000 1.831 271 C CB 0.348 28.147 27.740 0.099 0.000 2.284 271 C HN 0.458 nan 8.230 nan 0.000 0.523 272 S N -0.323 115.409 115.700 0.053 0.000 2.414 272 S HA 0.057 4.545 4.470 0.030 0.000 0.227 272 S C 1.517 176.125 174.600 0.013 0.000 1.022 272 S CA 1.175 59.443 58.200 0.114 0.000 0.958 272 S CB -0.059 63.313 63.200 0.286 0.000 0.797 272 S HN 0.633 nan 8.310 nan 0.000 0.493 273 L N -0.619 120.559 121.223 -0.075 0.000 2.590 273 L HA 0.377 4.735 4.340 0.030 0.000 0.181 273 L C 2.130 178.838 176.870 -0.270 0.000 1.134 273 L CA 0.413 55.045 54.840 -0.346 0.000 0.850 273 L CB -0.135 41.860 42.059 -0.107 0.000 1.172 273 L HN 0.251 nan 8.230 nan 0.000 0.498 274 M N -0.404 119.122 119.600 -0.124 0.000 2.236 274 M HA -0.121 4.377 4.480 0.030 0.000 0.266 274 M C 1.996 178.453 176.300 0.263 0.000 1.070 274 M CA 1.406 56.675 55.300 -0.051 0.000 1.137 274 M CB -0.194 32.197 32.600 -0.347 0.000 1.378 274 M HN 0.244 nan 8.290 nan 0.000 0.426 275 E N 1.226 121.520 120.200 0.156 0.000 2.023 275 E HA -0.154 4.215 4.350 0.030 0.000 0.196 275 E C -0.879 175.855 176.600 0.223 0.000 1.003 275 E CA 1.885 58.401 56.400 0.193 0.000 0.809 275 E CB -1.250 28.523 29.700 0.122 0.000 0.755 275 E HN 0.211 nan 8.360 nan 0.000 0.449 276 P HA -0.115 nan 4.420 nan 0.000 0.217 276 P C 0.821 178.417 177.300 0.493 0.000 1.151 276 P CA 1.288 64.523 63.100 0.225 0.000 0.828 276 P CB -0.290 31.475 31.700 0.109 0.000 0.788 277 W N 0.201 121.758 121.300 0.428 0.000 2.518 277 W HA 0.238 4.915 4.660 0.028 0.000 0.273 277 W C 2.467 179.302 176.519 0.527 0.000 1.247 277 W CA 0.291 57.959 57.345 0.538 0.000 1.288 277 W CB -1.874 28.020 29.460 0.722 0.000 1.107 277 W HN -0.022 nan 8.180 nan 0.000 0.586 278 A N 0.173 123.462 122.820 0.782 0.000 1.978 278 A HA -0.130 4.209 4.320 0.030 0.000 0.220 278 A C 2.012 179.933 177.584 0.560 0.000 1.170 278 A CA 1.369 53.779 52.037 0.622 0.000 0.636 278 A CB -0.770 18.557 19.000 0.546 0.000 0.810 278 A HN 0.268 nan 8.150 nan 0.000 0.448 279 L N -1.920 119.533 121.223 0.383 0.000 2.554 279 L HA 0.247 4.605 4.340 0.030 0.000 0.225 279 L C 1.626 178.327 176.870 -0.282 0.000 1.104 279 L CA 0.492 55.457 54.840 0.209 0.000 0.866 279 L CB -0.023 42.125 42.059 0.148 0.000 1.047 279 L HN 0.550 nan 8.230 nan 0.000 0.468 280 G N 0.547 108.925 108.800 -0.703 0.000 2.143 280 G HA2 -0.255 3.723 3.960 0.030 0.000 0.248 280 G HA3 -0.255 3.723 3.960 0.030 0.000 0.248 280 G C 0.336 174.932 174.900 -0.507 0.000 0.991 280 G CA 0.164 44.159 45.100 -1.841 0.000 0.689 280 G HN 0.487 nan 8.290 nan 0.000 0.522 281 A N -1.215 121.619 122.820 0.023 0.000 2.246 281 A HA 0.737 5.076 4.320 0.030 0.000 0.291 281 A C 0.932 178.779 177.584 0.439 0.000 1.103 281 A CA 0.300 52.460 52.037 0.205 0.000 0.844 281 A CB 0.915 20.015 19.000 0.167 0.000 1.136 281 A HN 1.582 nan 8.150 nan 0.000 0.500 282 C N -0.116 119.388 119.300 0.340 0.000 2.350 282 C HA 0.688 5.166 4.460 0.030 0.000 0.348 282 C C 0.770 175.946 174.990 0.310 0.000 1.260 282 C CA -0.013 59.216 59.018 0.353 0.000 1.966 282 C CB 0.103 28.034 27.740 0.317 0.000 2.380 282 C HN 0.838 nan 8.230 nan 0.000 0.535 283 T N 4.865 119.594 114.554 0.292 0.000 2.795 283 T HA 0.485 4.854 4.350 0.030 0.000 0.282 283 T C -0.919 173.834 174.700 0.088 0.000 0.980 283 T CA -0.178 61.988 62.100 0.110 0.000 1.012 283 T CB 0.182 68.969 68.868 -0.134 0.000 0.936 283 T HN 0.539 nan 8.240 nan 0.000 0.457 284 F N 5.747 125.659 119.950 -0.064 0.000 2.420 284 F HA 0.667 5.212 4.527 0.030 0.000 0.342 284 F C -0.869 174.751 175.800 -0.300 0.000 1.113 284 F CA -0.536 57.311 58.000 -0.254 0.000 1.059 284 F CB 0.998 39.728 39.000 -0.451 0.000 1.128 284 F HN 0.263 nan 8.300 nan 0.000 0.475 285 V N 6.001 125.376 119.914 -0.898 0.000 2.531 285 V HA 0.262 4.400 4.120 0.030 0.000 0.301 285 V C -0.934 174.697 176.094 -0.772 0.000 1.034 285 V CA -0.759 61.219 62.300 -0.536 0.000 0.865 285 V CB 1.359 32.874 31.823 -0.512 0.000 0.995 285 V HN 0.690 nan 8.190 nan 0.000 0.424 286 H N 4.101 122.915 119.070 -0.426 0.000 2.476 286 H HA 0.372 4.946 4.556 0.030 0.000 0.328 286 H C 0.501 175.737 175.328 -0.153 0.000 1.073 286 H CA -0.603 55.182 56.048 -0.439 0.000 1.229 286 H CB 2.098 31.728 29.762 -0.219 0.000 1.432 286 H HN 0.602 nan 8.280 nan 0.000 0.477 287 L N 5.638 126.800 121.223 -0.102 0.000 2.021 287 L HA -0.167 4.191 4.340 0.030 0.000 0.215 287 L C 1.366 178.391 176.870 0.259 0.000 1.074 287 L CA 1.438 56.377 54.840 0.165 0.000 0.760 287 L CB -0.543 41.565 42.059 0.082 0.000 0.889 287 L HN 0.876 nan 8.230 nan 0.000 0.433 288 L N -0.171 121.322 121.223 0.450 0.000 3.762 288 L HA -0.210 4.148 4.340 0.030 0.000 0.460 288 L C -1.191 175.747 176.870 0.114 0.000 1.255 288 L CA 0.096 55.033 54.840 0.161 0.000 0.783 288 L CB -1.121 41.016 42.059 0.129 0.000 1.600 288 L HN 0.346 nan 8.230 nan 0.000 0.862 289 P HA -0.114 nan 4.420 nan 0.000 0.219 289 P C 0.249 177.585 177.300 0.060 0.000 1.146 289 P CA 1.256 64.402 63.100 0.077 0.000 0.808 289 P CB 0.083 31.829 31.700 0.076 0.000 0.779 290 K N -0.505 119.934 120.400 0.065 0.000 2.316 290 K HA 0.317 4.655 4.320 0.030 0.000 0.251 290 K C -0.363 176.312 176.600 0.125 0.000 0.934 290 K CA -0.768 55.564 56.287 0.075 0.000 0.802 290 K CB 0.709 33.237 32.500 0.045 0.000 1.171 290 K HN -0.158 nan 8.250 nan 0.000 0.426 291 F N 3.236 123.158 119.950 -0.048 0.000 2.651 291 F HA 0.171 4.716 4.527 0.031 0.000 0.369 291 F C 0.058 175.815 175.800 -0.071 0.000 1.187 291 F CA -1.425 56.534 58.000 -0.068 0.000 1.335 291 F CB -0.957 38.009 39.000 -0.057 0.000 1.707 291 F HN 0.571 nan 8.300 nan 0.000 0.637 292 D N 4.606 124.942 120.400 -0.108 0.000 2.347 292 D HA 0.165 4.823 4.640 0.030 0.000 0.235 292 D C -1.598 174.549 176.300 -0.255 0.000 1.149 292 D CA -2.382 51.522 54.000 -0.159 0.000 0.850 292 D CB 1.668 42.416 40.800 -0.088 0.000 1.061 292 D HN 0.152 nan 8.370 nan 0.000 0.487 293 P HA -0.180 nan 4.420 nan 0.000 0.216 293 P C 1.618 178.802 177.300 -0.193 0.000 1.150 293 P CA 0.360 63.282 63.100 -0.297 0.000 0.837 293 P CB 0.502 32.054 31.700 -0.247 0.000 0.786 294 L N -0.288 120.839 121.223 -0.160 0.000 2.141 294 L HA -0.070 4.289 4.340 0.030 0.000 0.209 294 L C 2.389 179.141 176.870 -0.197 0.000 1.094 294 L CA 1.433 56.168 54.840 -0.174 0.000 0.763 294 L CB -1.099 40.873 42.059 -0.145 0.000 0.908 294 L HN -0.241 nan 8.230 nan 0.000 0.437 295 V N -0.429 119.391 119.914 -0.157 0.000 2.427 295 V HA -0.276 3.863 4.120 0.030 0.000 0.248 295 V C 2.415 178.437 176.094 -0.121 0.000 1.051 295 V CA 1.940 64.154 62.300 -0.143 0.000 1.048 295 V CB -0.399 31.330 31.823 -0.156 0.000 0.666 295 V HN 0.384 nan 8.190 nan 0.000 0.456 296 I N -0.624 119.883 120.570 -0.106 0.000 2.163 296 I HA -0.225 3.964 4.170 0.030 0.000 0.240 296 I C 2.403 178.536 176.117 0.026 0.000 1.081 296 I CA 1.285 62.597 61.300 0.021 0.000 1.353 296 I CB -0.396 37.504 38.000 -0.166 0.000 1.054 296 I HN 0.303 nan 8.210 nan 0.000 0.407 297 L N 1.214 122.399 121.223 -0.064 0.000 2.012 297 L HA -0.233 4.125 4.340 0.030 0.000 0.210 297 L C 2.415 179.269 176.870 -0.027 0.000 1.073 297 L CA 1.947 56.778 54.840 -0.016 0.000 0.748 297 L CB -0.724 41.310 42.059 -0.043 0.000 0.891 297 L HN 0.095 nan 8.230 nan 0.000 0.431 298 K N -1.356 118.920 120.400 -0.206 0.000 2.103 298 K HA -0.152 4.186 4.320 0.030 0.000 0.207 298 K C 1.892 178.506 176.600 0.024 0.000 1.048 298 K CA 1.897 58.080 56.287 -0.173 0.000 0.930 298 K CB -0.424 31.946 32.500 -0.216 0.000 0.716 298 K HN 0.435 nan 8.250 nan 0.000 0.444 299 T N 2.072 116.647 114.554 0.034 0.000 2.737 299 T HA -0.084 4.285 4.350 0.030 0.000 0.265 299 T C 1.932 176.635 174.700 0.005 0.000 1.038 299 T CA 0.963 63.091 62.100 0.047 0.000 1.144 299 T CB -0.213 68.558 68.868 -0.162 0.000 0.866 299 T HN 0.101 nan 8.240 nan 0.000 0.434 300 L N 0.826 122.071 121.223 0.038 0.000 2.079 300 L HA -0.127 4.231 4.340 0.030 0.000 0.210 300 L C 2.807 179.756 176.870 0.132 0.000 1.081 300 L CA 1.104 55.951 54.840 0.013 0.000 0.752 300 L CB -0.497 41.454 42.059 -0.179 0.000 0.896 300 L HN 0.259 nan 8.230 nan 0.000 0.433 301 S N -1.433 114.398 115.700 0.219 0.000 2.453 301 S HA -0.075 4.413 4.470 0.030 0.000 0.231 301 S C 1.869 176.529 174.600 0.100 0.000 1.005 301 S CA 1.248 59.600 58.200 0.254 0.000 0.949 301 S CB 0.066 63.489 63.200 0.370 0.000 0.774 301 S HN 0.391 nan 8.310 nan 0.000 0.510 302 S N -0.441 115.267 115.700 0.012 0.000 2.523 302 S HA 0.366 4.855 4.470 0.030 0.000 0.217 302 S C -0.601 173.698 174.600 -0.501 0.000 0.996 302 S CA -0.344 57.730 58.200 -0.210 0.000 0.921 302 S CB 0.243 63.282 63.200 -0.269 0.000 0.829 302 S HN 0.510 nan 8.310 nan 0.000 0.495 303 Y N 1.155 121.311 120.300 -0.241 0.000 2.536 303 Y HA 0.427 4.995 4.550 0.031 0.000 0.347 303 Y C -2.523 173.180 175.900 -0.329 0.000 1.000 303 Y CA -2.514 55.360 58.100 -0.377 0.000 1.051 303 Y CB 1.148 39.129 38.460 -0.798 0.000 1.259 303 Y HN -0.165 nan 8.280 nan 0.000 0.468 304 P HA 0.183 nan 4.420 nan 0.000 0.218 304 P C -0.553 176.703 177.300 -0.073 0.000 1.793 304 P CA 0.479 63.377 63.100 -0.336 0.000 0.941 304 P CB -0.504 30.968 31.700 -0.380 0.000 1.919 305 I N 1.160 121.696 120.570 -0.057 0.000 2.352 305 I HA 0.146 4.335 4.170 0.030 0.000 0.290 305 I C 1.628 177.843 176.117 0.164 0.000 1.036 305 I CA -0.109 61.172 61.300 -0.030 0.000 1.336 305 I CB 1.250 39.128 38.000 -0.203 0.000 1.407 305 I HN -0.019 nan 8.210 nan 0.000 0.497 306 K N 2.838 123.348 120.400 0.183 0.000 2.335 306 K HA 0.213 4.551 4.320 0.030 0.000 0.195 306 K C 0.041 176.704 176.600 0.105 0.000 1.058 306 K CA 0.427 56.813 56.287 0.165 0.000 0.988 306 K CB 0.548 33.136 32.500 0.146 0.000 0.880 306 K HN 0.603 nan 8.250 nan 0.000 0.513 307 S N 0.623 116.378 115.700 0.091 0.000 2.536 307 S HA 0.543 5.032 4.470 0.030 0.000 0.287 307 S C -0.849 173.791 174.600 0.067 0.000 1.101 307 S CA -0.976 57.258 58.200 0.057 0.000 0.950 307 S CB 1.786 64.991 63.200 0.008 0.000 1.056 307 S HN 0.278 nan 8.310 nan 0.000 0.481 308 M N 1.227 120.850 119.600 0.038 0.000 2.501 308 M HA 0.840 5.339 4.480 0.030 0.000 0.293 308 M C -1.357 174.925 176.300 -0.031 0.000 1.192 308 M CA -0.926 54.369 55.300 -0.009 0.000 0.886 308 M CB 2.067 34.620 32.600 -0.078 0.000 1.710 308 M HN 0.582 nan 8.290 nan 0.000 0.457 309 M N 2.280 121.827 119.600 -0.089 0.000 2.326 309 M HA 0.920 5.418 4.480 0.030 0.000 0.306 309 M C -1.253 174.970 176.300 -0.128 0.000 1.054 309 M CA 0.021 55.298 55.300 -0.038 0.000 0.922 309 M CB 2.243 34.843 32.600 0.000 0.000 1.632 309 M HN 0.980 nan 8.290 nan 0.000 0.436 310 G N 2.306 111.073 108.800 -0.055 0.000 2.660 310 G HA2 0.770 4.749 3.960 0.030 0.000 0.290 310 G HA3 0.770 4.749 3.960 0.030 0.000 0.290 310 G C -1.691 173.229 174.900 0.033 0.000 1.432 310 G CA -0.449 44.583 45.100 -0.112 0.000 0.807 310 G HN 1.061 nan 8.290 nan 0.000 0.485 311 A N 0.502 123.338 122.820 0.027 0.000 2.448 311 A HA 0.587 4.925 4.320 0.030 0.000 0.239 311 A C -0.992 176.641 177.584 0.083 0.000 1.080 311 A CA -0.556 51.501 52.037 0.033 0.000 0.779 311 A CB 0.254 19.252 19.000 -0.002 0.000 1.026 311 A HN 0.366 nan 8.150 nan 0.000 0.499 312 P HA -0.181 nan 4.420 nan 0.000 0.217 312 P C 1.413 178.775 177.300 0.103 0.000 1.148 312 P CA 1.022 64.189 63.100 0.111 0.000 0.828 312 P CB 0.012 31.725 31.700 0.022 0.000 0.783 313 I N -0.793 119.822 120.570 0.074 0.000 2.335 313 I HA -0.211 3.978 4.170 0.030 0.000 0.251 313 I C 1.871 178.021 176.117 0.055 0.000 1.129 313 I CA 1.506 62.859 61.300 0.090 0.000 1.402 313 I CB -0.643 37.442 38.000 0.143 0.000 1.069 313 I HN -0.215 nan 8.210 nan 0.000 0.424 314 V N -0.064 119.857 119.914 0.011 0.000 2.295 314 V HA -0.322 3.816 4.120 0.030 0.000 0.246 314 V C 2.235 178.125 176.094 -0.341 0.000 1.049 314 V CA 2.152 64.329 62.300 -0.205 0.000 1.024 314 V CB -1.051 30.547 31.823 -0.374 0.000 0.648 314 V HN 0.399 nan 8.190 nan 0.000 0.447 315 Y N 0.499 120.665 120.300 -0.224 0.000 2.200 315 Y HA -0.138 4.430 4.550 0.030 0.000 0.290 315 Y C 2.701 178.556 175.900 -0.074 0.000 1.137 315 Y CA 1.431 59.343 58.100 -0.313 0.000 1.163 315 Y CB -0.474 37.673 38.460 -0.522 0.000 0.988 315 Y HN 0.098 nan 8.280 nan 0.000 0.518 316 R N -0.492 120.068 120.500 0.099 0.000 2.096 316 R HA -0.184 4.174 4.340 0.030 0.000 0.235 316 R C 2.218 178.553 176.300 0.060 0.000 1.127 316 R CA 1.817 57.973 56.100 0.092 0.000 0.968 316 R CB -0.470 29.870 30.300 0.066 0.000 0.861 316 R HN 0.388 nan 8.270 nan 0.000 0.440 317 M N 0.449 120.042 119.600 -0.010 0.000 2.117 317 M HA -0.170 4.329 4.480 0.030 0.000 0.262 317 M C 2.227 178.510 176.300 -0.028 0.000 1.065 317 M CA 1.642 56.902 55.300 -0.066 0.000 1.114 317 M CB -0.231 32.236 32.600 -0.221 0.000 1.361 317 M HN 0.127 nan 8.290 nan 0.000 0.408 318 L N -0.217 121.009 121.223 0.004 0.000 2.083 318 L HA -0.203 4.155 4.340 0.030 0.000 0.209 318 L C 2.208 179.203 176.870 0.209 0.000 1.083 318 L CA 1.009 55.918 54.840 0.115 0.000 0.752 318 L CB -0.542 41.660 42.059 0.239 0.000 0.899 318 L HN 0.341 nan 8.230 nan 0.000 0.433 319 L N -0.676 120.697 121.223 0.250 0.000 2.362 319 L HA -0.159 4.199 4.340 0.030 0.000 0.219 319 L C 2.400 179.343 176.870 0.122 0.000 1.134 319 L CA 0.579 55.551 54.840 0.221 0.000 0.807 319 L CB -0.355 41.856 42.059 0.253 0.000 0.927 319 L HN 0.355 nan 8.230 nan 0.000 0.447 320 Q N -0.317 119.533 119.800 0.083 0.000 2.472 320 Q HA 0.003 4.362 4.340 0.030 0.000 0.208 320 Q C 0.338 176.365 176.000 0.045 0.000 0.958 320 Q CA 0.551 56.384 55.803 0.050 0.000 0.932 320 Q CB 0.156 28.907 28.738 0.023 0.000 1.007 320 Q HN 0.520 nan 8.270 nan 0.000 0.508 321 Q N 0.662 120.499 119.800 0.061 0.000 2.193 321 Q HA 0.153 4.511 4.340 0.030 0.000 0.246 321 Q C -0.539 175.504 176.000 0.071 0.000 0.959 321 Q CA -0.304 55.537 55.803 0.063 0.000 0.904 321 Q CB 0.778 29.558 28.738 0.070 0.000 1.238 321 Q HN -0.059 nan 8.270 nan 0.000 0.469 322 D N 1.322 121.762 120.400 0.067 0.000 2.453 322 D HA 0.125 4.783 4.640 0.030 0.000 0.223 322 D C 0.653 177.001 176.300 0.080 0.000 1.183 322 D CA -0.004 54.028 54.000 0.054 0.000 0.933 322 D CB 0.021 40.845 40.800 0.040 0.000 1.038 322 D HN 0.406 nan 8.370 nan 0.000 0.513 323 L N 2.217 123.482 121.223 0.070 0.000 2.353 323 L HA -0.109 4.249 4.340 0.030 0.000 0.220 323 L C 2.268 179.158 176.870 0.033 0.000 1.133 323 L CA 0.472 55.369 54.840 0.094 0.000 0.798 323 L CB -0.293 41.793 42.059 0.045 0.000 0.922 323 L HN 0.316 nan 8.230 nan 0.000 0.445 324 S N -0.681 115.008 115.700 -0.018 0.000 2.442 324 S HA -0.129 4.360 4.470 0.030 0.000 0.236 324 S C 2.041 176.580 174.600 -0.102 0.000 1.007 324 S CA 1.381 59.535 58.200 -0.078 0.000 0.965 324 S CB -0.042 63.115 63.200 -0.071 0.000 0.773 324 S HN 0.493 nan 8.310 nan 0.000 0.504 325 S N -0.264 115.385 115.700 -0.084 0.000 2.522 325 S HA 0.133 4.621 4.470 0.030 0.000 0.227 325 S C -0.349 173.903 174.600 -0.579 0.000 0.986 325 S CA 0.255 58.277 58.200 -0.297 0.000 0.929 325 S CB -0.100 62.919 63.200 -0.302 0.000 0.769 325 S HN 0.605 nan 8.310 nan 0.000 0.529 326 Y N 1.729 122.016 120.300 -0.022 0.000 2.592 326 Y HA 0.377 4.946 4.550 0.031 0.000 0.354 326 Y C -0.167 175.706 175.900 -0.045 0.000 1.063 326 Y CA -1.212 56.899 58.100 0.019 0.000 1.205 326 Y CB 0.484 39.001 38.460 0.095 0.000 1.106 326 Y HN -0.213 nan 8.280 nan 0.000 0.649 327 K N 1.972 122.328 120.400 -0.073 0.000 2.355 327 K HA 0.263 4.601 4.320 0.030 0.000 0.270 327 K C -0.544 175.989 176.600 -0.112 0.000 1.003 327 K CA -0.230 55.894 56.287 -0.272 0.000 0.957 327 K CB 0.267 32.646 32.500 -0.203 0.000 0.939 327 K HN 0.524 nan 8.250 nan 0.000 0.482 328 F N 0.710 120.684 119.950 0.040 0.000 2.622 328 F HA 0.336 4.882 4.527 0.031 0.000 0.338 328 F C -1.799 174.041 175.800 0.066 0.000 1.334 328 F CA -2.313 55.728 58.000 0.068 0.000 1.179 328 F CB 0.818 39.875 39.000 0.095 0.000 1.471 328 F HN 0.322 nan 8.300 nan 0.000 0.576 329 P HA -0.157 nan 4.420 nan 0.000 0.223 329 P C 1.120 178.505 177.300 0.142 0.000 1.151 329 P CA 1.484 64.635 63.100 0.085 0.000 0.787 329 P CB 0.218 31.946 31.700 0.047 0.000 0.788 330 H N -0.693 118.448 119.070 0.118 0.000 2.462 330 H HA 0.087 4.661 4.556 0.030 0.000 0.292 330 H C 0.719 176.123 175.328 0.127 0.000 1.049 330 H CA 0.067 56.178 56.048 0.105 0.000 1.334 330 H CB -0.484 29.332 29.762 0.090 0.000 1.404 330 H HN -0.023 nan 8.280 nan 0.000 0.544 331 L N 1.185 122.566 121.223 0.264 0.000 2.462 331 L HA 0.002 4.360 4.340 0.030 0.000 0.272 331 L C 0.725 177.698 176.870 0.172 0.000 1.166 331 L CA 0.839 55.817 54.840 0.230 0.000 0.880 331 L CB 0.767 43.017 42.059 0.318 0.000 1.142 331 L HN 0.329 nan 8.230 nan 0.000 0.473 332 Q N 2.295 122.167 119.800 0.121 0.000 2.471 332 Q HA 0.284 4.643 4.340 0.030 0.000 0.259 332 Q C -0.442 175.622 176.000 0.106 0.000 0.850 332 Q CA 0.039 55.894 55.803 0.087 0.000 0.981 332 Q CB 0.814 29.569 28.738 0.029 0.000 1.180 332 Q HN 0.649 nan 8.270 nan 0.000 0.571 333 N N 0.180 118.938 118.700 0.096 0.000 2.399 333 N HA 0.299 5.058 4.740 0.030 0.000 0.280 333 N C -1.482 174.078 175.510 0.083 0.000 1.008 333 N CA -0.126 52.962 53.050 0.063 0.000 0.894 333 N CB 1.896 40.379 38.487 -0.006 0.000 1.273 333 N HN 0.056 nan 8.380 nan 0.000 0.486 334 C N 2.154 121.511 119.300 0.095 0.000 2.322 334 C HA 0.645 5.123 4.460 0.030 0.000 0.324 334 C C 0.588 175.564 174.990 -0.024 0.000 1.249 334 C CA -0.868 58.206 59.018 0.094 0.000 1.453 334 C CB 0.054 27.872 27.740 0.129 0.000 2.145 334 C HN 0.524 nan 8.230 nan 0.000 0.466 335 V N 1.047 120.969 119.914 0.014 0.000 3.113 335 V HA 0.991 5.129 4.120 0.030 0.000 0.316 335 V C -0.398 175.753 176.094 0.094 0.000 1.125 335 V CA -0.284 62.031 62.300 0.025 0.000 1.026 335 V CB 1.865 33.675 31.823 -0.021 0.000 1.080 335 V HN 0.747 nan 8.190 nan 0.000 0.444 336 T N 0.197 114.820 114.554 0.115 0.000 2.889 336 T HA 0.692 5.060 4.350 0.030 0.000 0.315 336 T C -1.734 173.026 174.700 0.100 0.000 1.291 336 T CA 0.041 62.208 62.100 0.111 0.000 1.028 336 T CB 1.759 70.632 68.868 0.009 0.000 1.235 336 T HN 1.621 nan 8.240 nan 0.000 0.491 337 V N 2.145 122.091 119.914 0.054 0.000 3.216 337 V HA 0.795 4.933 4.120 0.030 0.000 0.302 337 V C 0.704 176.754 176.094 -0.073 0.000 1.286 337 V CA 0.917 63.215 62.300 -0.004 0.000 1.048 337 V CB 1.678 33.500 31.823 -0.002 0.000 1.081 337 V HN 1.588 nan 8.190 nan 0.000 0.442 338 G N 3.006 111.729 108.800 -0.129 0.000 2.278 338 G HA2 -0.107 3.871 3.960 0.030 0.000 0.210 338 G HA3 -0.107 3.871 3.960 0.030 0.000 0.210 338 G C 0.018 174.792 174.900 -0.210 0.000 1.000 338 G CA 0.597 45.574 45.100 -0.204 0.000 0.635 338 G HN 1.405 nan 8.290 nan 0.000 0.495 339 E N 0.120 120.211 120.200 -0.183 0.000 2.390 339 E HA 0.574 4.943 4.350 0.030 0.000 0.280 339 E C -0.666 175.815 176.600 -0.197 0.000 0.992 339 E CA -0.297 55.979 56.400 -0.207 0.000 0.790 339 E CB 0.902 30.521 29.700 -0.136 0.000 1.248 339 E HN 0.095 nan 8.360 nan 0.000 0.447 340 S N 1.948 117.505 115.700 -0.238 0.000 2.544 340 S HA 0.041 4.529 4.470 0.030 0.000 0.290 340 S C -0.116 174.442 174.600 -0.070 0.000 1.276 340 S CA -0.235 57.877 58.200 -0.148 0.000 1.075 340 S CB -0.071 63.088 63.200 -0.069 0.000 0.849 340 S HN 0.386 nan 8.310 nan 0.000 0.494 341 L N 6.955 128.148 121.223 -0.051 0.000 2.325 341 L HA 0.334 4.693 4.340 0.030 0.000 0.284 341 L C -0.416 176.446 176.870 -0.013 0.000 1.089 341 L CA 0.198 55.015 54.840 -0.039 0.000 0.836 341 L CB -0.095 41.932 42.059 -0.054 0.000 1.184 341 L HN 0.547 nan 8.230 nan 0.000 0.444 342 L N 8.322 129.543 121.223 -0.004 0.000 2.499 342 L HA 0.086 4.444 4.340 0.030 0.000 0.273 342 L C -1.103 175.781 176.870 0.023 0.000 1.195 342 L CA -1.198 53.650 54.840 0.014 0.000 0.882 342 L CB 0.140 42.212 42.059 0.021 0.000 1.133 342 L HN 0.547 nan 8.230 nan 0.000 0.483 343 P HA -0.253 nan 4.420 nan 0.000 0.216 343 P C 1.534 178.862 177.300 0.047 0.000 1.154 343 P CA 1.181 64.308 63.100 0.044 0.000 0.865 343 P CB 0.202 31.930 31.700 0.046 0.000 0.789 344 E N -0.984 119.243 120.200 0.045 0.000 2.118 344 E HA -0.206 4.162 4.350 0.030 0.000 0.195 344 E C 1.835 178.476 176.600 0.068 0.000 0.992 344 E CA 2.173 58.605 56.400 0.052 0.000 0.804 344 E CB -1.755 27.973 29.700 0.046 0.000 0.741 344 E HN 0.333 nan 8.360 nan 0.000 0.458 345 T N 0.827 115.418 114.554 0.060 0.000 2.770 345 T HA -0.038 4.331 4.350 0.030 0.000 0.263 345 T C 1.846 176.603 174.700 0.094 0.000 1.039 345 T CA 1.233 63.379 62.100 0.076 0.000 1.142 345 T CB -0.554 68.336 68.868 0.036 0.000 0.868 345 T HN 0.281 nan 8.240 nan 0.000 0.435 346 L N 1.828 123.081 121.223 0.050 0.000 2.013 346 L HA -0.139 4.220 4.340 0.030 0.000 0.212 346 L C 2.430 179.380 176.870 0.134 0.000 1.073 346 L CA 2.095 56.977 54.840 0.069 0.000 0.753 346 L CB -0.764 41.320 42.059 0.042 0.000 0.890 346 L HN 0.168 nan 8.230 nan 0.000 0.432 347 E N -0.278 119.982 120.200 0.101 0.000 2.051 347 E HA -0.267 4.101 4.350 0.030 0.000 0.192 347 E C 2.106 178.771 176.600 0.110 0.000 0.991 347 E CA 1.656 58.111 56.400 0.091 0.000 0.799 347 E CB -0.564 29.175 29.700 0.066 0.000 0.748 347 E HN 0.564 nan 8.360 nan 0.000 0.449 348 N N 0.135 118.913 118.700 0.129 0.000 2.069 348 N HA -0.187 4.571 4.740 0.030 0.000 0.191 348 N C 1.587 177.212 175.510 0.191 0.000 1.031 348 N CA 1.651 54.785 53.050 0.140 0.000 0.852 348 N CB -0.673 37.905 38.487 0.151 0.000 1.018 348 N HN 0.451 nan 8.380 nan 0.000 0.423 349 W N 1.710 123.037 121.300 0.045 0.000 2.358 349 W HA -0.136 4.543 4.660 0.031 0.000 0.303 349 W C 1.874 178.428 176.519 0.058 0.000 1.208 349 W CA 1.067 58.453 57.345 0.067 0.000 1.274 349 W CB -0.212 29.272 29.460 0.041 0.000 1.138 349 W HN 0.132 nan 8.180 nan 0.000 0.515 350 R N 0.320 120.933 120.500 0.188 0.000 2.103 350 R HA -0.185 4.174 4.340 0.030 0.000 0.242 350 R C 2.527 178.812 176.300 -0.026 0.000 1.142 350 R CA 2.035 58.172 56.100 0.061 0.000 0.960 350 R CB -0.942 29.408 30.300 0.085 0.000 0.858 350 R HN 0.143 nan 8.270 nan 0.000 0.439 351 A N 0.909 123.727 122.820 -0.003 0.000 1.865 351 A HA -0.196 4.142 4.320 0.030 0.000 0.217 351 A C 2.035 179.570 177.584 -0.081 0.000 1.191 351 A CA 1.290 53.311 52.037 -0.027 0.000 0.623 351 A CB -0.274 18.728 19.000 0.004 0.000 0.826 351 A HN 0.206 nan 8.150 nan 0.000 0.444 352 Q N -0.980 118.749 119.800 -0.118 0.000 2.212 352 Q HA -0.054 4.304 4.340 0.030 0.000 0.199 352 Q C 2.058 177.880 176.000 -0.297 0.000 0.950 352 Q CA 1.963 57.663 55.803 -0.172 0.000 0.863 352 Q CB -0.493 28.163 28.738 -0.137 0.000 0.944 352 Q HN 0.857 nan 8.270 nan 0.000 0.465 353 T N -4.688 109.612 114.554 -0.422 0.000 2.971 353 T HA 0.335 4.703 4.350 0.030 0.000 0.252 353 T C 1.377 175.911 174.700 -0.277 0.000 1.022 353 T CA 0.774 62.584 62.100 -0.484 0.000 0.980 353 T CB 0.613 68.986 68.868 -0.824 0.000 1.044 353 T HN 0.335 nan 8.240 nan 0.000 0.501 354 G N 1.583 110.267 108.800 -0.193 0.000 2.168 354 G HA2 -0.212 3.766 3.960 0.030 0.000 0.263 354 G HA3 -0.212 3.766 3.960 0.030 0.000 0.263 354 G C -0.094 174.790 174.900 -0.027 0.000 0.977 354 G CA 0.578 45.625 45.100 -0.088 0.000 0.659 354 G HN 0.675 nan 8.290 nan 0.000 0.533 355 L N 0.432 121.640 121.223 -0.025 0.000 2.334 355 L HA 0.550 4.909 4.340 0.030 0.000 0.272 355 L C 0.103 177.137 176.870 0.273 0.000 1.020 355 L CA -1.342 53.588 54.840 0.150 0.000 0.812 355 L CB 0.954 43.194 42.059 0.302 0.000 1.264 355 L HN -0.075 nan 8.230 nan 0.000 0.439 356 D N 1.439 121.974 120.400 0.225 0.000 2.358 356 D HA 0.424 5.082 4.640 0.030 0.000 0.244 356 D C -0.287 176.118 176.300 0.175 0.000 1.163 356 D CA 0.204 54.319 54.000 0.193 0.000 0.945 356 D CB 1.540 42.412 40.800 0.120 0.000 1.152 356 D HN 0.222 nan 8.370 nan 0.000 0.451 357 I N 1.125 121.705 120.570 0.017 0.000 2.389 357 I HA 0.268 4.456 4.170 0.030 0.000 0.288 357 I C 0.233 176.305 176.117 -0.076 0.000 0.999 357 I CA -0.641 60.536 61.300 -0.206 0.000 1.129 357 I CB 1.453 39.117 38.000 -0.560 0.000 1.288 357 I HN -0.069 nan 8.210 nan 0.000 0.444 358 R N 4.995 125.485 120.500 -0.018 0.000 2.229 358 R HA 0.320 4.678 4.340 0.030 0.000 0.332 358 R C -0.309 176.069 176.300 0.130 0.000 0.989 358 R CA -0.576 55.579 56.100 0.091 0.000 0.842 358 R CB 1.683 32.076 30.300 0.155 0.000 1.119 358 R HN 0.582 nan 8.270 nan 0.000 0.456 359 E N 1.717 121.984 120.200 0.113 0.000 2.349 359 E HA 0.182 4.550 4.350 0.030 0.000 0.265 359 E C -0.645 176.029 176.600 0.125 0.000 1.064 359 E CA -0.236 56.221 56.400 0.096 0.000 0.886 359 E CB 0.948 30.685 29.700 0.062 0.000 1.036 359 E HN 0.642 nan 8.360 nan 0.000 0.413 360 S N 2.259 118.008 115.700 0.082 0.000 2.618 360 S HA 0.522 5.010 4.470 0.030 0.000 0.277 360 S C -1.489 173.132 174.600 0.036 0.000 1.138 360 S CA -0.864 57.320 58.200 -0.026 0.000 0.844 360 S CB 1.363 64.468 63.200 -0.159 0.000 1.127 360 S HN 0.564 nan 8.310 nan 0.000 0.474 361 Y N -0.220 119.982 120.300 -0.164 0.000 2.513 361 Y HA 0.729 5.298 4.550 0.031 0.000 0.340 361 Y C -0.369 175.443 175.900 -0.147 0.000 1.055 361 Y CA 0.319 58.330 58.100 -0.150 0.000 1.020 361 Y CB 1.521 39.908 38.460 -0.122 0.000 1.301 361 Y HN 1.398 nan 8.280 nan 0.000 0.453 362 G N 4.196 112.552 108.800 -0.739 0.000 2.451 362 G HA2 0.513 4.492 3.960 0.030 0.000 0.292 362 G HA3 0.513 4.492 3.960 0.030 0.000 0.292 362 G C -2.326 172.246 174.900 -0.545 0.000 1.427 362 G CA -0.821 43.898 45.100 -0.635 0.000 0.792 362 G HN 0.883 nan 8.290 nan 0.000 0.498 363 Q N -1.663 117.908 119.800 -0.382 0.000 2.553 363 Q HA 0.627 4.986 4.340 0.030 0.000 0.293 363 Q C 0.396 176.259 176.000 -0.229 0.000 1.038 363 Q CA -0.333 55.304 55.803 -0.276 0.000 0.777 363 Q CB 1.217 29.827 28.738 -0.213 0.000 1.487 363 Q HN 0.302 nan 8.270 nan 0.000 0.426 364 T N 0.571 115.007 114.554 -0.196 0.000 2.699 364 T HA -0.195 4.173 4.350 0.030 0.000 0.268 364 T C 0.983 175.584 174.700 -0.165 0.000 1.036 364 T CA 2.339 64.335 62.100 -0.174 0.000 1.147 364 T CB -0.175 68.636 68.868 -0.095 0.000 0.862 364 T HN 0.617 nan 8.240 nan 0.000 0.446 365 E N 0.531 120.495 120.200 -0.393 0.000 2.274 365 E HA -0.039 4.329 4.350 0.030 0.000 0.194 365 E C 2.274 178.528 176.600 -0.577 0.000 0.996 365 E CA 1.360 57.176 56.400 -0.973 0.000 0.840 365 E CB -0.066 28.792 29.700 -1.403 0.000 0.772 365 E HN 0.705 nan 8.360 nan 0.000 0.491 366 T N -4.135 110.257 114.554 -0.270 0.000 3.004 366 T HA 0.440 4.808 4.350 0.030 0.000 0.266 366 T C 1.211 175.921 174.700 0.017 0.000 0.986 366 T CA 0.054 62.067 62.100 -0.144 0.000 0.902 366 T CB 0.290 69.034 68.868 -0.207 0.000 1.118 366 T HN 0.225 nan 8.240 nan 0.000 0.522 367 G N 2.514 111.268 108.800 -0.077 0.000 2.574 367 G HA2 -0.240 3.738 3.960 0.030 0.000 0.282 367 G HA3 -0.240 3.738 3.960 0.030 0.000 0.282 367 G C -0.361 174.460 174.900 -0.132 0.000 1.257 367 G CA -0.073 44.947 45.100 -0.132 0.000 0.956 367 G HN 0.710 nan 8.290 nan 0.000 0.560 368 L N 1.308 122.441 121.223 -0.151 0.000 2.369 368 L HA 0.357 4.716 4.340 0.030 0.000 0.279 368 L C 1.580 178.361 176.870 -0.148 0.000 1.108 368 L CA 0.349 55.056 54.840 -0.223 0.000 0.852 368 L CB 1.062 42.919 42.059 -0.338 0.000 1.169 368 L HN 0.724 nan 8.230 nan 0.000 0.452 369 T N 0.488 114.982 114.554 -0.100 0.000 3.085 369 T HA 0.127 4.495 4.350 0.030 0.000 0.241 369 T C 0.208 174.954 174.700 0.076 0.000 0.988 369 T CA 0.234 62.400 62.100 0.109 0.000 1.117 369 T CB 0.381 69.221 68.868 -0.046 0.000 0.978 369 T HN 0.513 nan 8.240 nan 0.000 0.454 370 C N 3.371 122.695 119.300 0.041 0.000 2.626 370 C HA 0.910 5.388 4.460 0.030 0.000 0.310 370 C C -0.679 174.249 174.990 -0.104 0.000 1.191 370 C CA -1.104 57.926 59.018 0.021 0.000 1.517 370 C CB 1.366 29.165 27.740 0.099 0.000 2.102 370 C HN 0.588 nan 8.230 nan 0.000 0.479 371 M N 1.237 120.743 119.600 -0.156 0.000 2.578 371 M HA 0.590 5.088 4.480 0.030 0.000 0.276 371 M C -1.777 174.477 176.300 -0.077 0.000 1.245 371 M CA -0.594 54.579 55.300 -0.211 0.000 0.871 371 M CB 0.922 33.123 32.600 -0.666 0.000 1.722 371 M HN 0.248 nan 8.290 nan 0.000 0.473 372 V N 2.956 122.900 119.914 0.051 0.000 2.353 372 V HA 0.385 4.523 4.120 0.030 0.000 0.264 372 V C 0.887 177.135 176.094 0.258 0.000 1.049 372 V CA -0.189 62.178 62.300 0.113 0.000 0.896 372 V CB 0.278 32.199 31.823 0.162 0.000 1.025 372 V HN 1.006 nan 8.190 nan 0.000 0.475 373 S N 4.616 120.448 115.700 0.219 0.000 2.634 373 S HA 0.290 4.779 4.470 0.030 0.000 0.261 373 S C 1.088 175.810 174.600 0.203 0.000 1.271 373 S CA -0.489 57.894 58.200 0.306 0.000 0.985 373 S CB 1.045 64.381 63.200 0.227 0.000 0.968 373 S HN 0.611 nan 8.310 nan 0.000 0.568 374 K N 0.280 120.778 120.400 0.163 0.000 2.147 374 K HA -0.100 4.239 4.320 0.030 0.000 0.205 374 K C 1.957 178.615 176.600 0.098 0.000 1.049 374 K CA 1.786 58.135 56.287 0.103 0.000 0.936 374 K CB -0.874 31.662 32.500 0.060 0.000 0.722 374 K HN 0.924 nan 8.250 nan 0.000 0.446 375 T N -1.726 112.889 114.554 0.102 0.000 3.100 375 T HA 0.142 4.510 4.350 0.030 0.000 0.253 375 T C 1.041 175.800 174.700 0.099 0.000 1.118 375 T CA -0.015 62.138 62.100 0.089 0.000 1.058 375 T CB 0.060 68.976 68.868 0.081 0.000 0.953 375 T HN -0.040 nan 8.240 nan 0.000 0.515 376 M N 1.956 121.627 119.600 0.119 0.000 2.274 376 M HA 0.502 5.001 4.480 0.030 0.000 0.344 376 M C 0.606 177.007 176.300 0.168 0.000 1.161 376 M CA -0.574 54.816 55.300 0.150 0.000 1.126 376 M CB 0.872 33.558 32.600 0.143 0.000 1.522 376 M HN 0.197 nan 8.290 nan 0.000 0.461 377 K N 3.226 123.735 120.400 0.183 0.000 2.295 377 K HA 0.449 4.787 4.320 0.030 0.000 0.270 377 K C -0.491 176.218 176.600 0.183 0.000 1.011 377 K CA -0.196 56.168 56.287 0.129 0.000 0.953 377 K CB -0.111 32.419 32.500 0.049 0.000 0.956 377 K HN 0.730 nan 8.250 nan 0.000 0.477 378 I N 2.395 123.041 120.570 0.127 0.000 2.441 378 I HA 0.165 4.354 4.170 0.030 0.000 0.287 378 I C 0.423 176.581 176.117 0.068 0.000 1.049 378 I CA -0.282 61.106 61.300 0.147 0.000 1.381 378 I CB 1.250 39.318 38.000 0.113 0.000 1.409 378 I HN 0.589 nan 8.210 nan 0.000 0.523 379 K N 7.590 128.042 120.400 0.087 0.000 2.367 379 K HA 0.402 4.741 4.320 0.030 0.000 0.263 379 K C -2.505 174.201 176.600 0.177 0.000 1.000 379 K CA -1.758 54.516 56.287 -0.022 0.000 0.891 379 K CB 1.372 33.645 32.500 -0.379 0.000 1.117 379 K HN 0.200 nan 8.250 nan 0.000 0.443 380 P HA -0.056 nan 4.420 nan 0.000 0.266 380 P C 0.795 178.229 177.300 0.223 0.000 1.195 380 P CA 0.843 64.036 63.100 0.155 0.000 0.768 380 P CB 0.659 32.418 31.700 0.098 0.000 0.838 381 G N 0.879 109.764 108.800 0.141 0.000 2.212 381 G HA2 -0.267 3.712 3.960 0.030 0.000 0.266 381 G HA3 -0.267 3.712 3.960 0.030 0.000 0.266 381 G C -0.298 174.566 174.900 -0.059 0.000 0.978 381 G CA -0.177 44.947 45.100 0.041 0.000 0.632 381 G HN 0.483 nan 8.290 nan 0.000 0.537 382 Y N -0.220 120.138 120.300 0.096 0.000 2.409 382 Y HA 0.560 5.128 4.550 0.030 0.000 0.339 382 Y C 1.489 177.482 175.900 0.155 0.000 1.033 382 Y CA -0.545 57.646 58.100 0.151 0.000 1.094 382 Y CB 1.508 40.109 38.460 0.235 0.000 1.210 382 Y HN 0.133 nan 8.280 nan 0.000 0.456 383 M N 1.065 120.815 119.600 0.251 0.000 2.563 383 M HA 0.498 4.996 4.480 0.030 0.000 0.231 383 M C 0.675 177.056 176.300 0.135 0.000 1.136 383 M CA 0.788 56.174 55.300 0.142 0.000 1.026 383 M CB -0.183 32.431 32.600 0.023 0.000 1.597 383 M HN 0.816 nan 8.290 nan 0.000 0.495 384 G N 1.318 110.212 108.800 0.157 0.000 2.545 384 G HA2 -0.187 3.791 3.960 0.030 0.000 0.216 384 G HA3 -0.187 3.791 3.960 0.030 0.000 0.216 384 G C -0.381 174.441 174.900 -0.130 0.000 1.314 384 G CA -0.249 44.744 45.100 -0.179 0.000 0.906 384 G HN 0.823 nan 8.290 nan 0.000 0.563 385 T N -2.016 112.427 114.554 -0.185 0.000 2.910 385 T HA 0.909 5.277 4.350 0.030 0.000 0.287 385 T C 0.679 175.443 174.700 0.106 0.000 1.050 385 T CA 0.681 62.793 62.100 0.019 0.000 1.011 385 T CB 1.444 70.223 68.868 -0.148 0.000 1.195 385 T HN 2.441 nan 8.240 nan 0.000 0.540 386 A N 0.664 123.607 122.820 0.205 0.000 2.561 386 A HA 0.545 4.883 4.320 0.030 0.000 0.234 386 A C 0.961 178.564 177.584 0.031 0.000 1.055 386 A CA -0.074 52.056 52.037 0.156 0.000 0.756 386 A CB -1.047 18.079 19.000 0.210 0.000 0.986 386 A HN 1.499 nan 8.150 nan 0.000 0.505 387 A N 2.375 125.180 122.820 -0.025 0.000 2.483 387 A HA 0.473 4.812 4.320 0.030 0.000 0.238 387 A C 1.181 178.668 177.584 -0.161 0.000 1.070 387 A CA 0.771 52.701 52.037 -0.178 0.000 0.770 387 A CB -0.315 18.470 19.000 -0.358 0.000 1.008 387 A HN 2.416 nan 8.150 nan 0.000 0.497 388 S N -0.008 115.598 115.700 -0.156 0.000 3.524 388 S HA -0.204 4.284 4.470 0.030 0.000 0.377 388 S C 0.687 175.182 174.600 -0.175 0.000 0.949 388 S CA 0.687 58.771 58.200 -0.194 0.000 1.264 388 S CB -2.280 60.709 63.200 -0.352 0.000 0.918 388 S HN 2.185 nan 8.310 nan 0.000 0.517 389 C N -0.086 119.182 119.300 -0.053 0.000 4.274 389 C HA -0.216 4.262 4.460 0.030 0.000 0.297 389 C C 0.277 175.316 174.990 0.082 0.000 1.446 389 C CA 0.636 59.657 59.018 0.004 0.000 2.016 389 C CB -2.964 24.768 27.740 -0.013 0.000 1.273 389 C HN 0.715 nan 8.230 nan 0.000 0.782 390 Y N 0.226 120.528 120.300 0.003 0.000 2.323 390 Y HA 0.490 5.056 4.550 0.026 0.000 0.331 390 Y C 0.390 176.324 175.900 0.058 0.000 1.092 390 Y CA -1.200 56.909 58.100 0.016 0.000 1.150 390 Y CB 0.536 38.998 38.460 0.003 0.000 1.200 390 Y HN 0.246 nan 8.280 nan 0.000 0.472 391 D N 2.819 123.360 120.400 0.235 0.000 2.456 391 D HA 0.320 4.979 4.640 0.030 0.000 0.219 391 D C -1.154 175.312 176.300 0.276 0.000 1.126 391 D CA -0.112 54.020 54.000 0.220 0.000 0.890 391 D CB 0.263 41.164 40.800 0.167 0.000 1.025 391 D HN 0.169 nan 8.370 nan 0.000 0.511 392 V N 4.407 124.490 119.914 0.282 0.000 2.439 392 V HA 0.445 4.584 4.120 0.030 0.000 0.282 392 V C 0.263 176.611 176.094 0.424 0.000 1.039 392 V CA -0.573 61.865 62.300 0.230 0.000 0.913 392 V CB 1.384 33.185 31.823 -0.038 0.000 0.983 392 V HN 0.456 nan 8.190 nan 0.000 0.460 393 Q N 3.077 123.049 119.800 0.285 0.000 2.501 393 Q HA 0.568 4.927 4.340 0.030 0.000 0.288 393 Q C -1.374 174.680 176.000 0.089 0.000 1.051 393 Q CA -0.786 55.140 55.803 0.206 0.000 0.788 393 Q CB 3.042 31.756 28.738 -0.039 0.000 1.469 393 Q HN 0.466 nan 8.270 nan 0.000 0.416 394 I N 2.844 123.459 120.570 0.076 0.000 2.331 394 I HA 0.450 4.638 4.170 0.030 0.000 0.292 394 I C 0.407 176.433 176.117 -0.153 0.000 0.998 394 I CA -0.490 60.806 61.300 -0.006 0.000 1.267 394 I CB 0.573 38.601 38.000 0.047 0.000 1.386 394 I HN 0.542 nan 8.210 nan 0.000 0.476 395 I N 2.807 123.250 120.570 -0.212 0.000 2.785 395 I HA 0.632 4.820 4.170 0.030 0.000 0.302 395 I C -0.492 175.537 176.117 -0.147 0.000 1.069 395 I CA -0.902 60.244 61.300 -0.257 0.000 1.045 395 I CB 2.291 40.008 38.000 -0.471 0.000 1.236 395 I HN 0.441 nan 8.210 nan 0.000 0.429 396 D N 2.440 122.774 120.400 -0.110 0.000 2.478 396 D HA 0.078 4.736 4.640 0.030 0.000 0.269 396 D C 0.510 176.774 176.300 -0.061 0.000 1.232 396 D CA -0.174 53.784 54.000 -0.070 0.000 1.059 396 D CB 0.502 41.273 40.800 -0.048 0.000 1.104 396 D HN 0.745 nan 8.370 nan 0.000 0.566 397 D N -2.217 118.156 120.400 -0.045 0.000 2.348 397 D HA -0.104 4.555 4.640 0.030 0.000 0.216 397 D C 1.441 177.726 176.300 -0.026 0.000 0.970 397 D CA 1.860 55.837 54.000 -0.040 0.000 0.889 397 D CB -0.718 40.060 40.800 -0.036 0.000 0.912 397 D HN 0.495 nan 8.370 nan 0.000 0.524 398 K N 0.094 120.483 120.400 -0.017 0.000 2.367 398 K HA 0.536 4.875 4.320 0.030 0.000 0.194 398 K C 1.718 178.330 176.600 0.019 0.000 1.027 398 K CA 0.508 56.795 56.287 0.000 0.000 1.075 398 K CB -0.500 32.002 32.500 0.003 0.000 0.845 398 K HN 0.482 nan 8.250 nan 0.000 0.529 399 G N 0.552 109.356 108.800 0.007 0.000 2.159 399 G HA2 -0.201 3.777 3.960 0.030 0.000 0.227 399 G HA3 -0.201 3.777 3.960 0.030 0.000 0.227 399 G C -0.214 174.718 174.900 0.054 0.000 0.986 399 G CA -0.028 45.101 45.100 0.048 0.000 0.651 399 G HN 0.638 nan 8.290 nan 0.000 0.523 400 N N -0.077 118.627 118.700 0.006 0.000 2.514 400 N HA 0.460 5.218 4.740 0.030 0.000 0.277 400 N C 0.432 175.902 175.510 -0.068 0.000 1.126 400 N CA -0.485 52.571 53.050 0.011 0.000 0.978 400 N CB 1.918 40.411 38.487 0.010 0.000 1.106 400 N HN 0.074 nan 8.380 nan 0.000 0.461 401 V N 3.054 122.944 119.914 -0.040 0.000 2.599 401 V HA -0.009 4.130 4.120 0.030 0.000 0.300 401 V C 0.487 176.554 176.094 -0.045 0.000 1.034 401 V CA 0.200 62.454 62.300 -0.077 0.000 1.115 401 V CB -0.132 31.707 31.823 0.027 0.000 0.934 401 V HN 0.477 nan 8.190 nan 0.000 0.485 402 L N 7.666 128.852 121.223 -0.062 0.000 2.375 402 L HA 0.522 4.880 4.340 0.030 0.000 0.268 402 L C -1.834 175.021 176.870 -0.025 0.000 1.058 402 L CA -1.742 53.075 54.840 -0.039 0.000 0.803 402 L CB 1.583 43.614 42.059 -0.046 0.000 1.212 402 L HN 0.482 nan 8.230 nan 0.000 0.451 403 P HA 0.209 nan 4.420 nan 0.000 0.274 403 P C -2.688 174.597 177.300 -0.024 0.000 1.246 403 P CA -1.570 61.520 63.100 -0.016 0.000 0.795 403 P CB -0.329 31.364 31.700 -0.012 0.000 1.006 404 P HA 0.003 nan 4.420 nan 0.000 0.266 404 P C 0.829 178.116 177.300 -0.022 0.000 1.195 404 P CA 1.013 64.092 63.100 -0.036 0.000 0.768 404 P CB -0.045 31.632 31.700 -0.038 0.000 0.838 405 G N 1.483 110.273 108.800 -0.016 0.000 2.176 405 G HA2 -0.165 3.813 3.960 0.030 0.000 0.232 405 G HA3 -0.165 3.813 3.960 0.030 0.000 0.232 405 G C 0.065 174.959 174.900 -0.010 0.000 0.986 405 G CA 0.005 45.102 45.100 -0.005 0.000 0.643 405 G HN 0.684 nan 8.290 nan 0.000 0.522 406 T N 0.980 115.524 114.554 -0.016 0.000 2.771 406 T HA 0.518 4.886 4.350 0.030 0.000 0.281 406 T C -0.061 174.623 174.700 -0.026 0.000 0.982 406 T CA -0.344 61.744 62.100 -0.020 0.000 0.978 406 T CB 2.235 71.090 68.868 -0.022 0.000 0.930 406 T HN 0.365 nan 8.240 nan 0.000 0.447 407 E N 1.703 121.884 120.200 -0.031 0.000 2.360 407 E HA 0.488 4.856 4.350 0.030 0.000 0.269 407 E C 0.311 176.882 176.600 -0.048 0.000 1.022 407 E CA -0.201 56.172 56.400 -0.045 0.000 0.887 407 E CB 0.416 30.083 29.700 -0.054 0.000 0.990 407 E HN 0.854 nan 8.360 nan 0.000 0.426 408 G N 3.335 112.101 108.800 -0.056 0.000 2.772 408 G HA2 0.137 4.116 3.960 0.030 0.000 0.284 408 G HA3 0.137 4.116 3.960 0.030 0.000 0.284 408 G C -1.347 173.505 174.900 -0.081 0.000 1.217 408 G CA -0.622 44.438 45.100 -0.068 0.000 0.831 408 G HN 0.528 nan 8.290 nan 0.000 0.523 409 D N 0.729 121.074 120.400 -0.093 0.000 2.193 409 D HA 0.401 5.060 4.640 0.030 0.000 0.244 409 D C 0.088 176.331 176.300 -0.095 0.000 1.064 409 D CA -0.008 53.932 54.000 -0.100 0.000 0.845 409 D CB 2.266 43.001 40.800 -0.109 0.000 1.148 409 D HN 0.207 nan 8.370 nan 0.000 0.464 410 I N 1.570 122.099 120.570 -0.069 0.000 2.471 410 I HA 0.300 4.488 4.170 0.030 0.000 0.286 410 I C 1.112 177.198 176.117 -0.052 0.000 1.079 410 I CA 0.168 61.435 61.300 -0.055 0.000 1.398 410 I CB 0.954 38.925 38.000 -0.048 0.000 1.403 410 I HN 0.244 nan 8.210 nan 0.000 0.530 411 G N 6.663 115.435 108.800 -0.047 0.000 2.612 411 G HA2 0.740 4.718 3.960 0.030 0.000 0.298 411 G HA3 0.740 4.718 3.960 0.030 0.000 0.298 411 G C -1.114 173.937 174.900 0.252 0.000 1.336 411 G CA -0.575 44.569 45.100 0.073 0.000 0.953 411 G HN 0.454 nan 8.290 nan 0.000 0.482 412 I N 0.845 121.616 120.570 0.334 0.000 2.378 412 I HA 0.394 4.582 4.170 0.030 0.000 0.291 412 I C 0.597 176.825 176.117 0.185 0.000 0.992 412 I CA -0.833 60.590 61.300 0.205 0.000 1.154 412 I CB 2.022 39.945 38.000 -0.129 0.000 1.315 412 I HN 0.364 nan 8.210 nan 0.000 0.448 413 R N 5.076 125.577 120.500 0.003 0.000 2.421 413 R HA 0.166 4.524 4.340 0.030 0.000 0.305 413 R C 0.484 176.630 176.300 -0.256 0.000 1.039 413 R CA 0.077 55.865 56.100 -0.520 0.000 1.003 413 R CB 0.630 30.658 30.300 -0.453 0.000 0.959 413 R HN 0.676 nan 8.270 nan 0.000 0.427 414 V N 0.413 120.178 119.914 -0.249 0.000 3.432 414 V HA 0.368 4.506 4.120 0.030 0.000 0.298 414 V C -0.129 175.897 176.094 -0.115 0.000 1.464 414 V CA -0.089 62.136 62.300 -0.125 0.000 1.046 414 V CB -0.026 31.769 31.823 -0.046 0.000 0.887 414 V HN 0.554 nan 8.190 nan 0.000 0.441 415 K N 1.657 121.959 120.400 -0.164 0.000 2.422 415 K HA 0.520 4.859 4.320 0.030 0.000 0.251 415 K C -2.239 174.287 176.600 -0.122 0.000 0.933 415 K CA -1.551 54.671 56.287 -0.109 0.000 0.798 415 K CB 3.007 35.455 32.500 -0.086 0.000 1.238 415 K HN -0.137 nan 8.250 nan 0.000 0.428 416 P HA -0.032 nan 4.420 nan 0.000 0.222 416 P C -0.002 177.284 177.300 -0.024 0.000 1.153 416 P CA 0.874 63.955 63.100 -0.033 0.000 0.798 416 P CB 0.442 32.132 31.700 -0.017 0.000 0.796 417 I N 0.515 121.063 120.570 -0.036 0.000 2.339 417 I HA 0.294 4.482 4.170 0.030 0.000 0.290 417 I C 0.825 176.911 176.117 -0.051 0.000 0.994 417 I CA -1.081 60.203 61.300 -0.027 0.000 1.191 417 I CB 1.620 39.612 38.000 -0.013 0.000 1.343 417 I HN -0.265 nan 8.210 nan 0.000 0.458 418 R N 8.536 128.993 120.500 -0.071 0.000 2.296 418 R HA 0.302 4.660 4.340 0.030 0.000 0.323 418 R C -2.336 173.923 176.300 -0.068 0.000 1.067 418 R CA -1.293 54.746 56.100 -0.101 0.000 0.946 418 R CB 0.660 30.856 30.300 -0.173 0.000 0.991 418 R HN 0.288 nan 8.270 nan 0.000 0.448 419 P HA 0.044 nan 4.420 nan 0.000 0.274 419 P C -0.294 177.047 177.300 0.069 0.000 1.246 419 P CA -0.178 62.962 63.100 0.068 0.000 0.795 419 P CB 0.786 32.624 31.700 0.231 0.000 1.006 420 I N 0.658 121.249 120.570 0.036 0.000 2.618 420 I HA 0.239 4.427 4.170 0.030 0.000 0.284 420 I C 1.702 177.843 176.117 0.039 0.000 1.146 420 I CA 1.465 62.761 61.300 -0.006 0.000 1.425 420 I CB -0.389 37.572 38.000 -0.064 0.000 1.383 420 I HN 0.781 nan 8.210 nan 0.000 0.562 421 G N 5.826 114.665 108.800 0.065 0.000 2.428 421 G HA2 -0.158 3.820 3.960 0.030 0.000 0.199 421 G HA3 -0.158 3.820 3.960 0.030 0.000 0.199 421 G C 0.244 175.284 174.900 0.234 0.000 1.005 421 G CA -0.728 44.440 45.100 0.113 0.000 0.671 421 G HN 0.387 nan 8.290 nan 0.000 0.485 422 I N 3.264 123.927 120.570 0.155 0.000 2.529 422 I HA 0.350 4.538 4.170 0.030 0.000 0.284 422 I C 1.578 177.654 176.117 -0.069 0.000 1.082 422 I CA -0.767 60.507 61.300 -0.043 0.000 1.406 422 I CB -0.074 37.799 38.000 -0.211 0.000 1.405 422 I HN 0.355 nan 8.210 nan 0.000 0.548 423 F N 4.378 123.992 119.950 -0.561 0.000 2.527 423 F HA 0.103 4.652 4.527 0.037 0.000 0.316 423 F C 1.184 176.628 175.800 -0.594 0.000 1.258 423 F CA -0.410 57.079 58.000 -0.851 0.000 1.314 423 F CB 0.233 38.507 39.000 -1.210 0.000 1.200 423 F HN 0.415 nan 8.300 nan 0.000 0.577 424 S N 0.061 115.248 115.700 -0.854 0.000 2.503 424 S HA 0.445 4.933 4.470 0.030 0.000 0.217 424 S C 0.430 174.433 174.600 -0.995 0.000 0.999 424 S CA 0.352 58.117 58.200 -0.726 0.000 0.914 424 S CB 0.056 63.000 63.200 -0.428 0.000 0.782 424 S HN 1.242 nan 8.310 nan 0.000 0.520 425 G N 0.324 108.060 108.800 -1.774 0.000 2.326 425 G HA2 0.193 4.171 3.960 0.030 0.000 0.413 425 G HA3 0.193 4.171 3.960 0.030 0.000 0.413 425 G C -1.709 172.648 174.900 -0.906 0.000 1.444 425 G CA -1.204 43.071 45.100 -1.375 0.000 1.002 425 G HN 0.074 nan 8.290 nan 0.000 0.649 426 Y N 0.165 120.350 120.300 -0.192 0.000 2.402 426 Y HA 0.390 4.960 4.550 0.034 0.000 0.333 426 Y C 1.453 177.310 175.900 -0.072 0.000 1.076 426 Y CA -0.386 57.728 58.100 0.023 0.000 1.299 426 Y CB 1.043 39.581 38.460 0.129 0.000 1.197 426 Y HN 0.389 nan 8.280 nan 0.000 0.517 427 V N 4.967 124.914 119.914 0.055 0.000 2.617 427 V HA -0.101 4.037 4.120 0.030 0.000 0.304 427 V C 0.335 176.435 176.094 0.010 0.000 1.040 427 V CA 0.345 62.632 62.300 -0.022 0.000 1.149 427 V CB 0.169 31.950 31.823 -0.070 0.000 0.914 427 V HN 0.951 nan 8.190 nan 0.000 0.487 428 D N 2.726 123.122 120.400 -0.006 0.000 3.079 428 D HA -0.203 4.456 4.640 0.030 0.000 0.214 428 D C 0.463 176.777 176.300 0.024 0.000 1.145 428 D CA 1.463 55.465 54.000 0.002 0.000 0.958 428 D CB -1.237 39.560 40.800 -0.004 0.000 1.117 428 D HN 0.834 nan 8.370 nan 0.000 0.416 429 N N -0.229 118.502 118.700 0.053 0.000 2.664 429 N HA 0.078 4.836 4.740 0.030 0.000 0.287 429 N C -2.057 173.523 175.510 0.115 0.000 1.869 429 N CA -0.897 52.203 53.050 0.083 0.000 0.832 429 N CB 1.381 39.925 38.487 0.095 0.000 1.293 429 N HN -0.032 nan 8.380 nan 0.000 0.498 430 P HA -0.103 nan 4.420 nan 0.000 0.219 430 P C 0.479 177.830 177.300 0.085 0.000 1.146 430 P CA 1.199 64.333 63.100 0.056 0.000 0.808 430 P CB 0.514 32.224 31.700 0.018 0.000 0.779 431 D N 0.464 120.908 120.400 0.072 0.000 2.097 431 D HA -0.122 4.536 4.640 0.030 0.000 0.195 431 D C 1.967 178.325 176.300 0.096 0.000 0.989 431 D CA 1.231 55.271 54.000 0.066 0.000 0.827 431 D CB -0.466 40.357 40.800 0.039 0.000 0.966 431 D HN 0.240 nan 8.370 nan 0.000 0.456 432 K N -0.119 120.352 120.400 0.118 0.000 2.148 432 K HA -0.038 4.300 4.320 0.030 0.000 0.204 432 K C 2.021 178.838 176.600 0.362 0.000 1.050 432 K CA 1.061 57.431 56.287 0.140 0.000 0.942 432 K CB -0.086 32.414 32.500 0.000 0.000 0.724 432 K HN 0.121 nan 8.250 nan 0.000 0.446 433 T N 1.231 116.051 114.554 0.444 0.000 2.737 433 T HA -0.126 4.243 4.350 0.030 0.000 0.265 433 T C 2.072 176.981 174.700 0.349 0.000 1.038 433 T CA 1.313 63.704 62.100 0.486 0.000 1.144 433 T CB -0.270 68.715 68.868 0.194 0.000 0.866 433 T HN 0.294 nan 8.240 nan 0.000 0.434 434 A N 1.849 124.786 122.820 0.195 0.000 1.892 434 A HA 0.008 4.347 4.320 0.030 0.000 0.218 434 A C 2.673 180.310 177.584 0.089 0.000 1.188 434 A CA 2.086 54.197 52.037 0.124 0.000 0.631 434 A CB -1.287 17.759 19.000 0.075 0.000 0.822 434 A HN 0.532 nan 8.150 nan 0.000 0.447 435 A N -0.473 122.391 122.820 0.074 0.000 2.084 435 A HA -0.186 4.152 4.320 0.030 0.000 0.221 435 A C 1.693 179.249 177.584 -0.046 0.000 1.161 435 A CA 1.825 53.870 52.037 0.015 0.000 0.653 435 A CB -0.498 18.507 19.000 0.009 0.000 0.802 435 A HN 0.538 nan 8.150 nan 0.000 0.457 436 N N -0.629 118.027 118.700 -0.073 0.000 2.280 436 N HA 0.217 4.975 4.740 0.030 0.000 0.192 436 N C -0.197 175.091 175.510 -0.370 0.000 1.109 436 N CA 0.173 53.000 53.050 -0.371 0.000 0.855 436 N CB 0.240 38.244 38.487 -0.805 0.000 0.974 436 N HN 0.447 nan 8.380 nan 0.000 0.482 437 I N 1.094 121.626 120.570 -0.063 0.000 2.331 437 I HA 0.239 4.428 4.170 0.030 0.000 0.292 437 I C 0.405 176.534 176.117 0.020 0.000 0.998 437 I CA -0.528 60.797 61.300 0.041 0.000 1.267 437 I CB 1.305 39.392 38.000 0.144 0.000 1.386 437 I HN -0.262 nan 8.210 nan 0.000 0.476 438 R N 5.102 125.630 120.500 0.046 0.000 2.388 438 R HA 0.495 4.854 4.340 0.030 0.000 0.314 438 R C 0.507 176.886 176.300 0.132 0.000 0.959 438 R CA 0.303 56.438 56.100 0.058 0.000 0.851 438 R CB 1.255 31.568 30.300 0.022 0.000 1.168 438 R HN 0.916 nan 8.270 nan 0.000 0.472 439 G N 3.815 112.674 108.800 0.098 0.000 2.629 439 G HA2 -0.367 3.611 3.960 0.030 0.000 0.313 439 G HA3 -0.367 3.611 3.960 0.030 0.000 0.313 439 G C 0.117 175.068 174.900 0.085 0.000 1.217 439 G CA 0.572 45.737 45.100 0.109 0.000 0.994 439 G HN 0.691 nan 8.290 nan 0.000 0.549 440 D N 0.953 121.396 120.400 0.072 0.000 2.325 440 D HA 0.363 5.021 4.640 0.030 0.000 0.225 440 D C 0.146 176.216 176.300 -0.384 0.000 1.096 440 D CA 0.443 54.343 54.000 -0.167 0.000 0.844 440 D CB -0.003 40.614 40.800 -0.304 0.000 0.925 440 D HN 0.157 nan 8.370 nan 0.000 0.513 441 F N 0.192 120.169 119.950 0.045 0.000 2.520 441 F HA 0.266 4.814 4.527 0.035 0.000 0.322 441 F C 0.044 175.893 175.800 0.081 0.000 1.103 441 F CA -1.436 56.596 58.000 0.054 0.000 0.926 441 F CB 1.703 40.715 39.000 0.020 0.000 1.154 441 F HN -0.089 nan 8.300 nan 0.000 0.453 442 W N 6.870 128.234 121.300 0.107 0.000 2.387 442 W HA 0.442 5.124 4.660 0.036 0.000 0.310 442 W C -1.473 175.083 176.519 0.062 0.000 1.181 442 W CA -0.791 56.584 57.345 0.049 0.000 1.333 442 W CB 0.623 30.067 29.460 -0.027 0.000 1.286 442 W HN 0.404 nan 8.180 nan 0.000 0.455 443 L N 7.541 128.401 121.223 -0.606 0.000 2.418 443 L HA -0.043 4.315 4.340 0.030 0.000 0.274 443 L C 1.282 177.771 176.870 -0.636 0.000 1.135 443 L CA -0.357 54.189 54.840 -0.490 0.000 0.870 443 L CB 0.782 42.607 42.059 -0.389 0.000 1.154 443 L HN 0.488 nan 8.230 nan 0.000 0.462 444 L N 3.148 124.234 121.223 -0.228 0.000 2.376 444 L HA 0.037 4.395 4.340 0.030 0.000 0.219 444 L C 1.695 178.525 176.870 -0.067 0.000 1.133 444 L CA 1.294 56.094 54.840 -0.065 0.000 0.816 444 L CB -0.341 41.774 42.059 0.092 0.000 0.933 444 L HN 1.029 nan 8.230 nan 0.000 0.449 445 G N -1.458 107.278 108.800 -0.106 0.000 2.175 445 G HA2 -0.213 3.766 3.960 0.030 0.000 0.244 445 G HA3 -0.213 3.766 3.960 0.030 0.000 0.244 445 G C -0.127 174.757 174.900 -0.025 0.000 0.982 445 G CA -0.021 45.032 45.100 -0.079 0.000 0.641 445 G HN 0.308 nan 8.290 nan 0.000 0.527 446 D N 0.585 120.997 120.400 0.019 0.000 2.192 446 D HA 0.504 5.162 4.640 0.030 0.000 0.246 446 D C 0.626 176.857 176.300 -0.115 0.000 1.042 446 D CA -0.569 53.434 54.000 0.005 0.000 0.847 446 D CB 1.000 41.949 40.800 0.249 0.000 1.186 446 D HN 0.069 nan 8.370 nan 0.000 0.461 447 R N 0.644 121.003 120.500 -0.236 0.000 2.582 447 R HA 0.680 5.038 4.340 0.030 0.000 0.271 447 R C 0.542 176.675 176.300 -0.278 0.000 1.078 447 R CA -0.449 55.511 56.100 -0.234 0.000 1.127 447 R CB 0.813 30.965 30.300 -0.246 0.000 1.038 447 R HN 0.611 nan 8.270 nan 0.000 0.500 448 G N 0.709 109.416 108.800 -0.155 0.000 2.623 448 G HA2 0.597 4.575 3.960 0.030 0.000 0.290 448 G HA3 0.597 4.575 3.960 0.030 0.000 0.290 448 G C -1.227 173.660 174.900 -0.022 0.000 1.437 448 G CA -0.676 44.370 45.100 -0.089 0.000 0.798 448 G HN 0.378 nan 8.290 nan 0.000 0.488 449 I N -0.011 120.565 120.570 0.009 0.000 2.689 449 I HA 0.504 4.693 4.170 0.030 0.000 0.299 449 I C -0.343 175.796 176.117 0.036 0.000 1.059 449 I CA -0.912 60.396 61.300 0.013 0.000 1.055 449 I CB 2.742 40.734 38.000 -0.013 0.000 1.243 449 I HN 0.391 nan 8.210 nan 0.000 0.425 450 K N 3.756 124.130 120.400 -0.043 0.000 2.221 450 K HA 0.331 4.669 4.320 0.030 0.000 0.258 450 K C -1.065 175.489 176.600 -0.076 0.000 0.944 450 K CA -0.645 55.518 56.287 -0.206 0.000 0.823 450 K CB 1.443 33.686 32.500 -0.428 0.000 1.113 450 K HN 0.635 nan 8.250 nan 0.000 0.431 451 D N 1.963 122.347 120.400 -0.026 0.000 2.478 451 D HA -0.066 4.592 4.640 0.030 0.000 0.269 451 D C 0.957 177.213 176.300 -0.073 0.000 1.232 451 D CA -0.178 53.804 54.000 -0.030 0.000 1.059 451 D CB 0.456 41.202 40.800 -0.091 0.000 1.104 451 D HN 0.707 nan 8.370 nan 0.000 0.566 452 E N -0.754 119.401 120.200 -0.074 0.000 2.209 452 E HA -0.231 4.137 4.350 0.030 0.000 0.196 452 E C 0.145 176.717 176.600 -0.047 0.000 0.993 452 E CA 1.171 57.535 56.400 -0.059 0.000 0.819 452 E CB -0.288 29.377 29.700 -0.059 0.000 0.745 452 E HN 0.374 nan 8.360 nan 0.000 0.477 453 D N -0.095 120.276 120.400 -0.049 0.000 2.340 453 D HA 0.119 4.777 4.640 0.030 0.000 0.217 453 D C 0.922 177.285 176.300 0.104 0.000 1.081 453 D CA 0.720 54.736 54.000 0.025 0.000 0.842 453 D CB 0.941 41.748 40.800 0.010 0.000 0.934 453 D HN 0.443 nan 8.370 nan 0.000 0.511 454 G N 0.741 109.546 108.800 0.008 0.000 2.157 454 G HA2 -0.292 3.687 3.960 0.030 0.000 0.248 454 G HA3 -0.292 3.687 3.960 0.030 0.000 0.248 454 G C 0.043 174.846 174.900 -0.163 0.000 0.979 454 G CA -0.343 44.695 45.100 -0.104 0.000 0.650 454 G HN 0.383 nan 8.290 nan 0.000 0.529 455 Y N -0.594 119.571 120.300 -0.225 0.000 2.309 455 Y HA 0.563 5.132 4.550 0.032 0.000 0.327 455 Y C 0.766 176.634 175.900 -0.053 0.000 1.172 455 Y CA -0.857 57.192 58.100 -0.085 0.000 1.280 455 Y CB 0.568 38.978 38.460 -0.083 0.000 1.234 455 Y HN 0.064 nan 8.280 nan 0.000 0.512 456 F N 1.953 122.086 119.950 0.306 0.000 2.404 456 F HA 0.265 4.811 4.527 0.031 0.000 0.339 456 F C 0.154 176.039 175.800 0.142 0.000 1.105 456 F CA -0.625 57.479 58.000 0.173 0.000 1.087 456 F CB 1.209 40.211 39.000 0.004 0.000 1.143 456 F HN 0.359 nan 8.300 nan 0.000 0.491 457 Q N 4.278 124.148 119.800 0.115 0.000 2.307 457 Q HA 0.299 4.657 4.340 0.030 0.000 0.262 457 Q C -1.276 174.682 176.000 -0.070 0.000 0.961 457 Q CA -0.855 54.821 55.803 -0.212 0.000 0.882 457 Q CB 1.126 29.522 28.738 -0.570 0.000 1.264 457 Q HN 0.649 nan 8.270 nan 0.000 0.446 458 F N 5.109 124.932 119.950 -0.211 0.000 2.504 458 F HA 0.150 4.694 4.527 0.030 0.000 0.369 458 F C 0.154 175.868 175.800 -0.142 0.000 1.082 458 F CA 0.201 58.082 58.000 -0.198 0.000 1.216 458 F CB 0.673 39.547 39.000 -0.210 0.000 1.108 458 F HN 0.628 nan 8.300 nan 0.000 0.554 459 M N 5.837 124.974 119.600 -0.772 0.000 2.596 459 M HA 0.308 4.806 4.480 0.030 0.000 0.364 459 M C 0.326 176.215 176.300 -0.685 0.000 1.158 459 M CA 0.319 55.292 55.300 -0.545 0.000 0.940 459 M CB -0.444 31.973 32.600 -0.305 0.000 1.388 459 M HN 0.819 nan 8.290 nan 0.000 0.522 460 G N 1.510 109.481 108.800 -1.381 0.000 2.612 460 G HA2 -0.114 3.864 3.960 0.030 0.000 0.686 460 G HA3 -0.114 3.864 3.960 0.030 0.000 0.686 460 G C -0.770 173.856 174.900 -0.458 0.000 1.274 460 G CA -1.117 43.567 45.100 -0.693 0.000 0.849 460 G HN 0.269 nan 8.290 nan 0.000 0.595 461 R N 0.384 120.826 120.500 -0.096 0.000 2.491 461 R HA 0.497 4.856 4.340 0.030 0.000 0.283 461 R C 1.744 177.995 176.300 -0.081 0.000 1.072 461 R CA 0.442 56.526 56.100 -0.026 0.000 1.048 461 R CB 0.718 31.039 30.300 0.035 0.000 0.983 461 R HN 1.172 nan 8.270 nan 0.000 0.450 462 A N 2.963 125.734 122.820 -0.083 0.000 1.972 462 A HA -0.160 4.179 4.320 0.030 0.000 0.219 462 A C 1.189 178.730 177.584 -0.072 0.000 1.169 462 A CA 1.381 53.365 52.037 -0.088 0.000 0.635 462 A CB -0.084 18.862 19.000 -0.090 0.000 0.810 462 A HN 0.598 nan 8.150 nan 0.000 0.446 463 D N 0.129 120.489 120.400 -0.067 0.000 2.350 463 D HA -0.060 4.598 4.640 0.030 0.000 0.216 463 D C 0.588 176.854 176.300 -0.057 0.000 0.968 463 D CA 0.834 54.792 54.000 -0.071 0.000 0.894 463 D CB -0.152 40.602 40.800 -0.075 0.000 0.909 463 D HN 0.388 nan 8.370 nan 0.000 0.520 464 D N -0.274 120.101 120.400 -0.041 0.000 2.354 464 D HA 0.003 4.662 4.640 0.030 0.000 0.209 464 D C 0.670 176.960 176.300 -0.016 0.000 1.015 464 D CA -0.154 53.833 54.000 -0.021 0.000 0.867 464 D CB 0.532 41.325 40.800 -0.012 0.000 0.933 464 D HN 0.114 nan 8.370 nan 0.000 0.520 465 I N 1.677 122.229 120.570 -0.029 0.000 2.710 465 I HA -0.013 4.175 4.170 0.030 0.000 0.286 465 I C 0.822 176.945 176.117 0.010 0.000 1.181 465 I CA -0.430 60.861 61.300 -0.015 0.000 1.430 465 I CB -0.132 37.853 38.000 -0.025 0.000 1.367 465 I HN -0.165 nan 8.210 nan 0.000 0.577 466 I N 6.858 127.447 120.570 0.032 0.000 2.359 466 I HA 0.225 4.414 4.170 0.030 0.000 0.294 466 I C 0.304 176.468 176.117 0.078 0.000 0.987 466 I CA -0.304 61.032 61.300 0.061 0.000 1.225 466 I CB 0.704 38.741 38.000 0.061 0.000 1.366 466 I HN 0.417 nan 8.210 nan 0.000 0.466 467 N N 4.783 123.534 118.700 0.084 0.000 2.707 467 N HA 0.201 4.959 4.740 0.030 0.000 0.235 467 N C -1.047 174.521 175.510 0.097 0.000 1.028 467 N CA -0.125 52.977 53.050 0.085 0.000 0.906 467 N CB 1.711 40.231 38.487 0.054 0.000 1.131 467 N HN 0.413 nan 8.380 nan 0.000 0.509 468 S N 0.322 116.095 115.700 0.122 0.000 2.449 468 S HA 0.243 4.731 4.470 0.030 0.000 0.310 468 S C 0.253 174.920 174.600 0.111 0.000 1.096 468 S CA -0.297 57.967 58.200 0.106 0.000 1.095 468 S CB 0.402 63.659 63.200 0.095 0.000 1.007 468 S HN 0.499 nan 8.310 nan 0.000 0.474 469 S N 3.017 118.746 115.700 0.049 0.000 3.559 469 S HA -0.191 4.297 4.470 0.030 0.000 0.369 469 S C 0.968 175.513 174.600 -0.092 0.000 0.987 469 S CA 0.939 59.140 58.200 0.000 0.000 1.187 469 S CB -1.866 61.355 63.200 0.035 0.000 0.914 469 S HN 1.951 nan 8.310 nan 0.000 0.480 470 G N -0.659 108.092 108.800 -0.081 0.000 2.221 470 G HA2 -0.313 3.665 3.960 0.030 0.000 0.265 470 G HA3 -0.313 3.665 3.960 0.030 0.000 0.265 470 G C -0.380 174.365 174.900 -0.258 0.000 1.041 470 G CA 0.480 45.483 45.100 -0.162 0.000 0.807 470 G HN 0.684 nan 8.290 nan 0.000 0.502 471 Y N -0.694 119.570 120.300 -0.061 0.000 2.425 471 Y HA 0.620 5.188 4.550 0.030 0.000 0.344 471 Y C 0.785 176.700 175.900 0.025 0.000 0.969 471 Y CA -1.478 56.577 58.100 -0.074 0.000 1.052 471 Y CB 1.484 39.864 38.460 -0.133 0.000 1.215 471 Y HN 0.194 nan 8.280 nan 0.000 0.451 472 R N 3.865 124.508 120.500 0.239 0.000 2.265 472 R HA 0.632 4.990 4.340 0.030 0.000 0.314 472 R C -1.232 175.174 176.300 0.178 0.000 1.053 472 R CA -0.311 55.881 56.100 0.153 0.000 0.931 472 R CB 0.721 31.072 30.300 0.086 0.000 1.024 472 R HN 0.546 nan 8.270 nan 0.000 0.457 473 I N 1.566 122.206 120.570 0.116 0.000 2.439 473 I HA 0.267 4.456 4.170 0.030 0.000 0.285 473 I C 0.550 176.674 176.117 0.012 0.000 1.021 473 I CA -0.620 60.718 61.300 0.062 0.000 1.091 473 I CB 2.221 40.249 38.000 0.046 0.000 1.242 473 I HN 0.644 nan 8.210 nan 0.000 0.439 474 G N 6.654 115.444 108.800 -0.016 0.000 2.380 474 G HA2 0.294 4.273 3.960 0.030 0.000 0.262 474 G HA3 0.294 4.273 3.960 0.030 0.000 0.262 474 G C -1.517 173.365 174.900 -0.030 0.000 1.243 474 G CA -0.920 44.161 45.100 -0.032 0.000 0.865 474 G HN 0.420 nan 8.290 nan 0.000 0.513 475 P HA -0.100 nan 4.420 nan 0.000 0.217 475 P C 1.910 179.206 177.300 -0.006 0.000 1.150 475 P CA 0.935 64.032 63.100 -0.004 0.000 0.832 475 P CB 0.302 32.009 31.700 0.013 0.000 0.787 476 S N 0.722 116.415 115.700 -0.011 0.000 2.365 476 S HA -0.196 4.292 4.470 0.030 0.000 0.225 476 S C 1.875 176.467 174.600 -0.014 0.000 1.039 476 S CA 1.713 59.910 58.200 -0.005 0.000 1.033 476 S CB -0.825 62.370 63.200 -0.009 0.000 0.887 476 S HN 0.360 nan 8.310 nan 0.000 0.447 477 E N 0.625 120.805 120.200 -0.033 0.000 2.085 477 E HA -0.110 4.258 4.350 0.030 0.000 0.194 477 E C 2.106 178.682 176.600 -0.041 0.000 0.994 477 E CA 1.276 57.649 56.400 -0.044 0.000 0.801 477 E CB -0.303 29.353 29.700 -0.073 0.000 0.743 477 E HN 0.291 nan 8.360 nan 0.000 0.453 478 V N 1.385 121.274 119.914 -0.042 0.000 2.358 478 V HA -0.246 3.892 4.120 0.030 0.000 0.246 478 V C 2.023 178.119 176.094 0.004 0.000 1.047 478 V CA 1.984 64.265 62.300 -0.032 0.000 1.035 478 V CB -0.524 31.277 31.823 -0.036 0.000 0.658 478 V HN 0.222 nan 8.190 nan 0.000 0.452 479 E N 0.439 120.647 120.200 0.012 0.000 2.077 479 E HA -0.205 4.163 4.350 0.030 0.000 0.193 479 E C 2.146 178.768 176.600 0.037 0.000 0.989 479 E CA 1.378 57.796 56.400 0.031 0.000 0.800 479 E CB -0.257 29.462 29.700 0.032 0.000 0.746 479 E HN 0.540 nan 8.360 nan 0.000 0.452 480 N N 0.806 119.521 118.700 0.025 0.000 2.149 480 N HA -0.158 4.601 4.740 0.030 0.000 0.188 480 N C 1.632 177.171 175.510 0.049 0.000 1.019 480 N CA 1.339 54.407 53.050 0.030 0.000 0.857 480 N CB -0.423 38.072 38.487 0.014 0.000 0.997 480 N HN 0.168 nan 8.380 nan 0.000 0.426 481 A N 1.169 124.011 122.820 0.037 0.000 1.845 481 A HA -0.072 4.266 4.320 0.030 0.000 0.215 481 A C 2.380 180.084 177.584 0.201 0.000 1.195 481 A CA 1.046 53.115 52.037 0.054 0.000 0.616 481 A CB -0.953 18.027 19.000 -0.033 0.000 0.832 481 A HN 0.227 nan 8.150 nan 0.000 0.443 482 L N -1.023 120.292 121.223 0.154 0.000 2.043 482 L HA -0.261 4.097 4.340 0.030 0.000 0.212 482 L C 2.755 179.697 176.870 0.120 0.000 1.075 482 L CA 1.347 56.284 54.840 0.161 0.000 0.752 482 L CB -0.468 41.640 42.059 0.082 0.000 0.891 482 L HN 0.344 nan 8.230 nan 0.000 0.432 483 M N -0.679 118.976 119.600 0.091 0.000 2.267 483 M HA -0.200 4.299 4.480 0.030 0.000 0.263 483 M C 2.064 178.397 176.300 0.056 0.000 1.063 483 M CA 1.523 56.858 55.300 0.059 0.000 1.090 483 M CB -0.956 31.673 32.600 0.047 0.000 1.392 483 M HN 0.318 nan 8.290 nan 0.000 0.422 484 E N -1.217 119.050 120.200 0.112 0.000 2.204 484 E HA -0.132 4.237 4.350 0.030 0.000 0.194 484 E C 0.888 177.475 176.600 -0.021 0.000 0.989 484 E CA 0.283 56.741 56.400 0.096 0.000 0.824 484 E CB -0.137 29.688 29.700 0.209 0.000 0.756 484 E HN 0.460 nan 8.360 nan 0.000 0.477 485 H N 1.302 120.229 119.070 -0.238 0.000 2.722 485 H HA 0.014 4.588 4.556 0.030 0.000 0.328 485 H C -1.594 173.552 175.328 -0.303 0.000 1.067 485 H CA -1.762 54.009 56.048 -0.462 0.000 1.447 485 H CB 1.319 30.665 29.762 -0.694 0.000 1.469 485 H HN -0.095 nan 8.280 nan 0.000 0.544 486 P HA -0.149 nan 4.420 nan 0.000 0.218 486 P C 0.991 178.089 177.300 -0.337 0.000 1.146 486 P CA 1.463 64.384 63.100 -0.298 0.000 0.813 486 P CB 0.047 31.636 31.700 -0.184 0.000 0.778 487 A N -0.539 121.902 122.820 -0.632 0.000 2.066 487 A HA 0.047 4.385 4.320 0.030 0.000 0.218 487 A C 1.148 178.529 177.584 -0.338 0.000 1.157 487 A CA 0.628 52.040 52.037 -1.041 0.000 0.670 487 A CB -0.679 17.473 19.000 -1.414 0.000 0.804 487 A HN 0.104 nan 8.150 nan 0.000 0.453 488 V N 1.292 121.111 119.914 -0.158 0.000 2.364 488 V HA 0.226 4.365 4.120 0.030 0.000 0.272 488 V C 1.395 177.477 176.094 -0.020 0.000 1.036 488 V CA 0.175 62.443 62.300 -0.054 0.000 0.880 488 V CB 1.023 32.836 31.823 -0.017 0.000 0.991 488 V HN 0.361 nan 8.190 nan 0.000 0.460 489 V N 1.565 121.482 119.914 0.004 0.000 2.575 489 V HA 0.362 4.500 4.120 0.030 0.000 0.242 489 V C 0.578 176.689 176.094 0.029 0.000 1.045 489 V CA 0.810 63.121 62.300 0.018 0.000 1.065 489 V CB 0.181 32.019 31.823 0.025 0.000 0.717 489 V HN 0.808 nan 8.190 nan 0.000 0.467 490 E N -0.983 119.242 120.200 0.041 0.000 2.390 490 E HA 0.578 4.947 4.350 0.030 0.000 0.277 490 E C -1.362 175.277 176.600 0.064 0.000 0.939 490 E CA -0.317 56.111 56.400 0.047 0.000 0.769 490 E CB 2.550 32.277 29.700 0.045 0.000 1.251 490 E HN 0.310 nan 8.360 nan 0.000 0.450 491 T N 0.731 115.323 114.554 0.063 0.000 2.889 491 T HA 0.743 5.111 4.350 0.030 0.000 0.315 491 T C -2.051 172.695 174.700 0.076 0.000 1.291 491 T CA -0.139 62.010 62.100 0.083 0.000 1.028 491 T CB 1.427 70.339 68.868 0.073 0.000 1.235 491 T HN 0.552 nan 8.240 nan 0.000 0.491 492 A N 2.848 125.736 122.820 0.113 0.000 2.381 492 A HA 0.751 5.090 4.320 0.030 0.000 0.299 492 A C -1.215 176.470 177.584 0.167 0.000 1.049 492 A CA -0.521 51.572 52.037 0.093 0.000 0.715 492 A CB 1.614 20.622 19.000 0.013 0.000 1.222 492 A HN 0.747 nan 8.150 nan 0.000 0.428 493 V N 4.336 124.317 119.914 0.112 0.000 2.417 493 V HA 0.630 4.769 4.120 0.030 0.000 0.291 493 V C -0.003 176.158 176.094 0.112 0.000 1.024 493 V CA -0.154 62.211 62.300 0.107 0.000 0.861 493 V CB 0.935 32.786 31.823 0.048 0.000 0.985 493 V HN 0.879 nan 8.190 nan 0.000 0.436 494 I N 1.991 122.655 120.570 0.157 0.000 3.264 494 I HA 0.803 4.991 4.170 0.030 0.000 0.315 494 I C 0.168 176.381 176.117 0.159 0.000 1.154 494 I CA -0.798 60.600 61.300 0.163 0.000 0.962 494 I CB 2.484 40.618 38.000 0.224 0.000 1.265 494 I HN 0.550 nan 8.210 nan 0.000 0.463 495 S N 1.705 117.532 115.700 0.211 0.000 2.576 495 S HA 0.468 4.956 4.470 0.030 0.000 0.276 495 S C -0.089 174.709 174.600 0.331 0.000 1.339 495 S CA -0.449 57.921 58.200 0.283 0.000 1.039 495 S CB 1.145 64.588 63.200 0.405 0.000 0.902 495 S HN 0.746 nan 8.310 nan 0.000 0.516 496 S N 2.568 118.318 115.700 0.084 0.000 2.557 496 S HA 0.590 5.079 4.470 0.030 0.000 0.291 496 S C -2.972 171.285 174.600 -0.571 0.000 1.116 496 S CA -1.811 56.227 58.200 -0.270 0.000 0.992 496 S CB 1.301 64.370 63.200 -0.219 0.000 1.028 496 S HN 0.690 nan 8.310 nan 0.000 0.484 497 P HA 0.176 nan 4.420 nan 0.000 0.267 497 P C -1.135 175.867 177.300 -0.497 0.000 1.209 497 P CA 0.021 62.434 63.100 -1.145 0.000 0.763 497 P CB 0.403 31.279 31.700 -1.373 0.000 0.816 498 D N 4.677 124.908 120.400 -0.282 0.000 2.217 498 D HA 0.282 4.940 4.640 0.030 0.000 0.243 498 D C -1.499 174.729 176.300 -0.120 0.000 1.054 498 D CA -2.614 51.283 54.000 -0.171 0.000 0.838 498 D CB 1.055 41.788 40.800 -0.113 0.000 1.162 498 D HN 0.021 nan 8.370 nan 0.000 0.472 499 P HA -0.198 nan 4.420 nan 0.000 0.216 499 P C 1.225 178.496 177.300 -0.047 0.000 1.167 499 P CA 1.016 64.075 63.100 -0.068 0.000 0.914 499 P CB 0.237 31.901 31.700 -0.060 0.000 0.793 500 V N -1.370 118.518 119.914 -0.044 0.000 2.878 500 V HA -0.008 4.131 4.120 0.030 0.000 0.250 500 V C 1.595 177.676 176.094 -0.021 0.000 1.075 500 V CA 1.457 63.740 62.300 -0.028 0.000 1.096 500 V CB -0.840 30.969 31.823 -0.023 0.000 0.724 500 V HN 0.086 nan 8.190 nan 0.000 0.467 501 R N -0.581 119.904 120.500 -0.026 0.000 2.590 501 R HA 0.462 4.820 4.340 0.030 0.000 0.410 501 R C 1.510 177.809 176.300 -0.003 0.000 1.010 501 R CA 0.562 56.655 56.100 -0.012 0.000 1.155 501 R CB 0.985 31.280 30.300 -0.008 0.000 1.455 501 R HN 0.369 nan 8.270 nan 0.000 0.567 502 G N 1.455 110.247 108.800 -0.013 0.000 3.548 502 G HA2 -0.396 3.582 3.960 0.030 0.000 0.224 502 G HA3 -0.396 3.582 3.960 0.030 0.000 0.224 502 G C 0.189 175.110 174.900 0.034 0.000 1.351 502 G CA 0.662 45.774 45.100 0.019 0.000 0.905 502 G HN 0.394 nan 8.290 nan 0.000 0.561 503 E N -0.105 120.132 120.200 0.062 0.000 2.256 503 E HA 0.561 4.930 4.350 0.030 0.000 0.268 503 E C -0.266 176.351 176.600 0.027 0.000 0.877 503 E CA -0.384 56.074 56.400 0.098 0.000 0.757 503 E CB 2.437 32.280 29.700 0.238 0.000 1.183 503 E HN 0.947 nan 8.360 nan 0.000 0.418 504 V N 0.420 120.321 119.914 -0.022 0.000 3.074 504 V HA 0.604 4.742 4.120 0.030 0.000 0.314 504 V C -0.411 175.654 176.094 -0.047 0.000 1.117 504 V CA -0.978 61.290 62.300 -0.054 0.000 1.014 504 V CB 1.687 33.441 31.823 -0.115 0.000 1.057 504 V HN 0.404 nan 8.190 nan 0.000 0.438 505 V N 2.596 122.455 119.914 -0.092 0.000 2.439 505 V HA 0.357 4.496 4.120 0.030 0.000 0.271 505 V C 0.268 176.285 176.094 -0.128 0.000 1.040 505 V CA 0.124 62.369 62.300 -0.091 0.000 1.002 505 V CB 0.567 32.309 31.823 -0.136 0.000 1.000 505 V HN 1.025 nan 8.190 nan 0.000 0.477 506 K N 4.186 124.538 120.400 -0.080 0.000 2.316 506 K HA 0.809 5.147 4.320 0.030 0.000 0.251 506 K C -0.811 175.739 176.600 -0.085 0.000 0.934 506 K CA -0.650 55.555 56.287 -0.136 0.000 0.802 506 K CB 1.997 34.387 32.500 -0.184 0.000 1.171 506 K HN 0.703 nan 8.250 nan 0.000 0.426 507 A N 4.244 126.971 122.820 -0.154 0.000 2.318 507 A HA 0.573 4.911 4.320 0.030 0.000 0.317 507 A C -1.302 176.173 177.584 -0.182 0.000 1.159 507 A CA -0.685 51.311 52.037 -0.068 0.000 0.799 507 A CB 0.155 19.120 19.000 -0.057 0.000 1.194 507 A HN 0.633 nan 8.150 nan 0.000 0.479 508 F N 2.022 121.936 119.950 -0.060 0.000 2.411 508 F HA 0.494 5.039 4.527 0.031 0.000 0.350 508 F C 0.279 176.069 175.800 -0.016 0.000 1.114 508 F CA -0.184 57.786 58.000 -0.051 0.000 1.135 508 F CB 1.744 40.733 39.000 -0.018 0.000 1.120 508 F HN 0.253 nan 8.300 nan 0.000 0.495 509 V N 4.480 124.488 119.914 0.157 0.000 2.588 509 V HA 0.351 4.490 4.120 0.030 0.000 0.304 509 V C -0.591 175.647 176.094 0.241 0.000 1.042 509 V CA -0.919 61.492 62.300 0.186 0.000 0.877 509 V CB 2.057 34.007 31.823 0.211 0.000 0.996 509 V HN 0.433 nan 8.190 nan 0.000 0.425 510 V N 6.368 126.379 119.914 0.162 0.000 2.385 510 V HA 0.362 4.500 4.120 0.030 0.000 0.269 510 V C 0.210 176.356 176.094 0.087 0.000 1.043 510 V CA -0.359 62.017 62.300 0.126 0.000 0.906 510 V CB 1.179 33.053 31.823 0.086 0.000 0.995 510 V HN 0.603 nan 8.190 nan 0.000 0.467 511 L N 4.146 125.406 121.223 0.062 0.000 2.417 511 L HA 0.503 4.861 4.340 0.030 0.000 0.268 511 L C 1.003 177.879 176.870 0.011 0.000 1.158 511 L CA -0.191 54.640 54.840 -0.015 0.000 0.819 511 L CB 0.858 42.853 42.059 -0.107 0.000 1.112 511 L HN 0.755 nan 8.230 nan 0.000 0.458 512 A N 1.735 124.564 122.820 0.016 0.000 2.498 512 A HA 0.154 4.492 4.320 0.030 0.000 0.239 512 A C 1.294 178.940 177.584 0.104 0.000 1.068 512 A CA 0.229 52.313 52.037 0.079 0.000 0.766 512 A CB 0.320 19.407 19.000 0.145 0.000 1.003 512 A HN 0.928 nan 8.150 nan 0.000 0.497 513 S N 1.103 116.843 115.700 0.067 0.000 2.419 513 S HA -0.242 4.246 4.470 0.030 0.000 0.235 513 S C 1.627 176.247 174.600 0.034 0.000 1.019 513 S CA 1.386 59.611 58.200 0.042 0.000 0.982 513 S CB -0.382 62.834 63.200 0.026 0.000 0.789 513 S HN 0.831 nan 8.310 nan 0.000 0.490 514 Q N -0.115 119.712 119.800 0.045 0.000 2.364 514 Q HA -0.009 4.349 4.340 0.030 0.000 0.209 514 Q C 0.537 176.385 176.000 -0.252 0.000 0.977 514 Q CA 1.009 56.770 55.803 -0.070 0.000 0.885 514 Q CB -0.079 28.611 28.738 -0.080 0.000 0.941 514 Q HN 0.757 nan 8.270 nan 0.000 0.464 515 F N -1.083 118.756 119.950 -0.185 0.000 2.678 515 F HA 0.144 4.690 4.527 0.031 0.000 0.305 515 F C 1.529 177.213 175.800 -0.193 0.000 1.090 515 F CA -0.275 57.503 58.000 -0.369 0.000 1.272 515 F CB 0.393 39.102 39.000 -0.484 0.000 1.060 515 F HN -0.041 nan 8.300 nan 0.000 0.576 516 L N -0.091 121.146 121.223 0.023 0.000 2.079 516 L HA -0.248 4.110 4.340 0.030 0.000 0.210 516 L C 2.622 179.504 176.870 0.019 0.000 1.081 516 L CA 1.775 56.610 54.840 -0.008 0.000 0.752 516 L CB -0.637 41.421 42.059 -0.000 0.000 0.896 516 L HN 0.267 nan 8.230 nan 0.000 0.433 517 S N -2.380 113.353 115.700 0.056 0.000 2.453 517 S HA -0.089 4.400 4.470 0.030 0.000 0.231 517 S C 0.928 175.580 174.600 0.086 0.000 1.005 517 S CA -0.034 58.199 58.200 0.055 0.000 0.949 517 S CB -0.560 62.659 63.200 0.032 0.000 0.774 517 S HN 0.409 nan 8.310 nan 0.000 0.510 518 H N 1.730 120.767 119.070 -0.055 0.000 2.836 518 H HA 0.107 4.681 4.556 0.031 0.000 0.368 518 H C -0.365 174.951 175.328 -0.020 0.000 1.164 518 H CA 0.173 56.206 56.048 -0.025 0.000 1.425 518 H CB 0.263 30.053 29.762 0.046 0.000 1.414 518 H HN 0.327 nan 8.280 nan 0.000 0.614 519 D N 2.594 123.048 120.400 0.089 0.000 2.382 519 D HA 0.007 4.665 4.640 0.030 0.000 0.259 519 D C -1.659 174.700 176.300 0.098 0.000 1.224 519 D CA -1.463 52.576 54.000 0.065 0.000 0.894 519 D CB 0.977 41.802 40.800 0.042 0.000 1.127 519 D HN 0.205 nan 8.370 nan 0.000 0.487 520 P HA -0.188 nan 4.420 nan 0.000 0.216 520 P C 1.172 178.625 177.300 0.255 0.000 1.150 520 P CA 0.796 64.014 63.100 0.196 0.000 0.843 520 P CB 0.162 31.995 31.700 0.222 0.000 0.787 521 E N -0.625 119.665 120.200 0.150 0.000 2.047 521 E HA -0.227 4.141 4.350 0.030 0.000 0.191 521 E C 2.511 179.175 176.600 0.107 0.000 0.987 521 E CA 1.860 58.327 56.400 0.112 0.000 0.799 521 E CB -1.417 28.323 29.700 0.068 0.000 0.752 521 E HN 0.352 nan 8.360 nan 0.000 0.449 522 Q N 0.215 120.074 119.800 0.099 0.000 2.084 522 Q HA 0.025 4.383 4.340 0.030 0.000 0.202 522 Q C 2.338 178.413 176.000 0.126 0.000 0.978 522 Q CA 1.839 57.697 55.803 0.093 0.000 0.844 522 Q CB -1.092 27.693 28.738 0.078 0.000 0.898 522 Q HN 0.469 nan 8.270 nan 0.000 0.426 523 L N 0.826 122.151 121.223 0.170 0.000 2.046 523 L HA -0.106 4.252 4.340 0.030 0.000 0.208 523 L C 2.465 179.444 176.870 0.182 0.000 1.077 523 L CA 2.843 57.791 54.840 0.179 0.000 0.747 523 L CB -0.916 41.227 42.059 0.140 0.000 0.896 523 L HN 0.472 nan 8.230 nan 0.000 0.432 524 T N -1.125 113.578 114.554 0.247 0.000 2.720 524 T HA -0.237 4.131 4.350 0.030 0.000 0.268 524 T C 2.068 176.804 174.700 0.060 0.000 1.037 524 T CA 1.731 63.918 62.100 0.145 0.000 1.144 524 T CB -0.241 68.670 68.868 0.071 0.000 0.864 524 T HN 0.252 nan 8.240 nan 0.000 0.444 525 K N 0.917 121.351 120.400 0.056 0.000 2.155 525 K HA 0.008 4.346 4.320 0.030 0.000 0.203 525 K C 2.238 178.842 176.600 0.006 0.000 1.052 525 K CA 1.455 57.754 56.287 0.020 0.000 0.948 525 K CB -0.326 32.186 32.500 0.020 0.000 0.728 525 K HN 0.663 nan 8.250 nan 0.000 0.448 526 E N -0.028 120.188 120.200 0.027 0.000 2.072 526 E HA -0.104 4.265 4.350 0.030 0.000 0.191 526 E C 2.108 178.686 176.600 -0.037 0.000 0.985 526 E CA 1.471 57.883 56.400 0.021 0.000 0.801 526 E CB -0.121 29.614 29.700 0.058 0.000 0.750 526 E HN 0.431 nan 8.360 nan 0.000 0.452 527 L N 0.411 121.571 121.223 -0.104 0.000 2.056 527 L HA -0.201 4.158 4.340 0.030 0.000 0.207 527 L C 2.683 179.566 176.870 0.022 0.000 1.078 527 L CA 1.212 55.976 54.840 -0.127 0.000 0.749 527 L CB -0.384 41.598 42.059 -0.128 0.000 0.901 527 L HN 0.181 nan 8.230 nan 0.000 0.433 528 Q N -0.287 119.520 119.800 0.011 0.000 2.046 528 Q HA -0.251 4.107 4.340 0.030 0.000 0.200 528 Q C 2.635 178.560 176.000 -0.125 0.000 0.975 528 Q CA 2.097 57.901 55.803 0.001 0.000 0.836 528 Q CB -0.436 28.292 28.738 -0.016 0.000 0.896 528 Q HN 0.628 nan 8.270 nan 0.000 0.428 529 Q N 0.858 120.593 119.800 -0.108 0.000 2.077 529 Q HA -0.296 4.062 4.340 0.030 0.000 0.206 529 Q C 1.684 177.665 176.000 -0.031 0.000 0.989 529 Q CA 2.302 58.048 55.803 -0.094 0.000 0.853 529 Q CB -1.419 27.298 28.738 -0.036 0.000 0.907 529 Q HN 0.701 nan 8.270 nan 0.000 0.418 530 H N -0.361 118.682 119.070 -0.044 0.000 2.352 530 H HA -0.074 4.500 4.556 0.030 0.000 0.299 530 H C 1.897 177.219 175.328 -0.010 0.000 1.097 530 H CA 2.167 58.215 56.048 0.001 0.000 1.311 530 H CB -0.085 29.702 29.762 0.042 0.000 1.377 530 H HN 0.309 nan 8.280 nan 0.000 0.504 531 V N 0.668 120.500 119.914 -0.137 0.000 2.346 531 V HA -0.163 3.975 4.120 0.030 0.000 0.244 531 V C 2.332 178.343 176.094 -0.139 0.000 1.037 531 V CA 1.899 64.104 62.300 -0.158 0.000 1.029 531 V CB -0.458 31.369 31.823 0.007 0.000 0.663 531 V HN 0.372 nan 8.190 nan 0.000 0.454 532 K N 1.003 121.336 120.400 -0.110 0.000 2.189 532 K HA -0.220 4.119 4.320 0.030 0.000 0.207 532 K C 2.144 178.670 176.600 -0.123 0.000 1.046 532 K CA 1.967 58.178 56.287 -0.127 0.000 0.928 532 K CB -0.271 32.083 32.500 -0.244 0.000 0.720 532 K HN 0.668 nan 8.250 nan 0.000 0.458 533 S N -0.657 114.957 115.700 -0.144 0.000 2.517 533 S HA 0.002 4.490 4.470 0.030 0.000 0.214 533 S C 1.606 176.120 174.600 -0.143 0.000 0.991 533 S CA 0.295 58.423 58.200 -0.121 0.000 0.906 533 S CB 0.353 63.498 63.200 -0.091 0.000 0.789 533 S HN 0.141 nan 8.310 nan 0.000 0.513 534 V N -1.513 118.275 119.914 -0.210 0.000 3.605 534 V HA 0.447 4.585 4.120 0.030 0.000 0.284 534 V C 0.540 176.548 176.094 -0.142 0.000 1.386 534 V CA 0.429 62.617 62.300 -0.187 0.000 1.053 534 V CB -0.424 31.232 31.823 -0.279 0.000 0.857 534 V HN 0.518 nan 8.190 nan 0.000 0.436 535 T N -0.468 113.999 114.554 -0.145 0.000 2.762 535 T HA 0.705 5.073 4.350 0.030 0.000 0.301 535 T C -0.353 174.246 174.700 -0.168 0.000 1.299 535 T CA 0.107 62.117 62.100 -0.149 0.000 1.005 535 T CB 1.548 70.318 68.868 -0.165 0.000 1.377 535 T HN 1.092 nan 8.240 nan 0.000 0.504 536 A N 2.858 125.538 122.820 -0.233 0.000 2.553 536 A HA 0.377 4.715 4.320 0.030 0.000 0.258 536 A C -1.457 175.953 177.584 -0.291 0.000 1.069 536 A CA -0.526 51.349 52.037 -0.270 0.000 0.767 536 A CB -0.607 18.117 19.000 -0.460 0.000 0.997 536 A HN 0.725 nan 8.150 nan 0.000 0.512 537 P HA -0.233 nan 4.420 nan 0.000 0.218 537 P C 1.032 178.397 177.300 0.108 0.000 1.146 537 P CA 1.922 65.031 63.100 0.016 0.000 0.820 537 P CB -0.186 31.543 31.700 0.048 0.000 0.778 538 Y N -0.572 119.715 120.300 -0.021 0.000 2.639 538 Y HA 0.001 4.569 4.550 0.030 0.000 0.297 538 Y C 1.379 177.213 175.900 -0.110 0.000 1.151 538 Y CA 0.745 58.801 58.100 -0.072 0.000 1.335 538 Y CB -1.180 37.109 38.460 -0.286 0.000 0.994 538 Y HN -0.092 nan 8.280 nan 0.000 0.548 539 K N 0.441 120.550 120.400 -0.484 0.000 2.379 539 K HA 0.005 4.344 4.320 0.030 0.000 0.194 539 K C -0.011 176.489 176.600 -0.167 0.000 1.031 539 K CA -0.021 56.035 56.287 -0.385 0.000 1.037 539 K CB -0.178 32.028 32.500 -0.491 0.000 0.824 539 K HN 0.483 nan 8.250 nan 0.000 0.516 540 Y N 2.785 122.996 120.300 -0.149 0.000 2.550 540 Y HA 0.120 4.688 4.550 0.031 0.000 0.343 540 Y C -2.536 173.323 175.900 -0.069 0.000 1.245 540 Y CA -2.855 55.185 58.100 -0.100 0.000 1.462 540 Y CB -0.186 38.225 38.460 -0.082 0.000 1.340 540 Y HN -0.126 nan 8.280 nan 0.000 0.604 541 P HA 0.153 nan 4.420 nan 0.000 0.274 541 P C -0.508 176.631 177.300 -0.267 0.000 1.291 541 P CA 0.003 62.990 63.100 -0.187 0.000 0.815 541 P CB 0.822 32.486 31.700 -0.060 0.000 0.897 542 R N 2.288 122.488 120.500 -0.499 0.000 2.189 542 R HA 0.041 4.400 4.340 0.030 0.000 0.218 542 R C 0.670 176.886 176.300 -0.140 0.000 1.074 542 R CA 0.820 56.714 56.100 -0.343 0.000 0.991 542 R CB 0.061 30.141 30.300 -0.367 0.000 0.883 542 R HN 0.482 nan 8.270 nan 0.000 0.457 543 K N 1.039 121.331 120.400 -0.180 0.000 2.324 543 K HA 0.468 4.807 4.320 0.030 0.000 0.253 543 K C -0.786 175.663 176.600 -0.251 0.000 0.932 543 K CA -0.507 55.662 56.287 -0.196 0.000 0.799 543 K CB 2.667 35.032 32.500 -0.225 0.000 1.154 543 K HN -0.107 nan 8.250 nan 0.000 0.425 544 I N 1.676 122.061 120.570 -0.309 0.000 2.466 544 I HA 0.223 4.411 4.170 0.030 0.000 0.289 544 I C -0.593 175.143 176.117 -0.635 0.000 1.026 544 I CA -0.615 60.408 61.300 -0.461 0.000 1.078 544 I CB 2.209 39.934 38.000 -0.457 0.000 1.249 544 I HN 0.618 nan 8.210 nan 0.000 0.429 545 E N 5.944 125.738 120.200 -0.676 0.000 2.187 545 E HA 0.501 4.869 4.350 0.030 0.000 0.268 545 E C -1.643 174.684 176.600 -0.455 0.000 0.896 545 E CA -0.636 55.419 56.400 -0.575 0.000 0.766 545 E CB 1.396 30.769 29.700 -0.545 0.000 1.142 545 E HN 0.290 nan 8.360 nan 0.000 0.408 546 F N 3.684 123.615 119.950 -0.030 0.000 2.408 546 F HA 0.367 4.912 4.527 0.031 0.000 0.344 546 F C 0.228 176.063 175.800 0.058 0.000 1.112 546 F CA -0.595 57.415 58.000 0.018 0.000 1.096 546 F CB 1.438 40.446 39.000 0.013 0.000 1.129 546 F HN 0.236 nan 8.300 nan 0.000 0.486 547 V N 1.519 121.597 119.914 0.273 0.000 3.130 547 V HA 0.521 4.659 4.120 0.030 0.000 0.310 547 V C -0.252 175.934 176.094 0.153 0.000 1.158 547 V CA -0.960 61.461 62.300 0.201 0.000 1.029 547 V CB 2.090 34.050 31.823 0.229 0.000 1.057 547 V HN 0.752 nan 8.190 nan 0.000 0.436 548 L N 1.328 122.617 121.223 0.110 0.000 2.513 548 L HA 0.354 4.712 4.340 0.030 0.000 0.222 548 L C 0.467 177.375 176.870 0.064 0.000 1.096 548 L CA 0.609 55.497 54.840 0.080 0.000 0.857 548 L CB -0.137 41.959 42.059 0.063 0.000 1.026 548 L HN 1.022 nan 8.230 nan 0.000 0.469 549 N N -0.844 117.894 118.700 0.062 0.000 2.934 549 N HA 0.534 5.292 4.740 0.030 0.000 0.253 549 N C -1.298 174.229 175.510 0.028 0.000 1.466 549 N CA -0.695 52.380 53.050 0.041 0.000 0.858 549 N CB 1.256 39.759 38.487 0.027 0.000 1.459 549 N HN -0.180 nan 8.380 nan 0.000 0.532 550 L N -0.202 121.024 121.223 0.005 0.000 2.381 550 L HA 0.642 5.000 4.340 0.030 0.000 0.268 550 L C -2.361 174.482 176.870 -0.044 0.000 0.997 550 L CA -1.911 52.907 54.840 -0.036 0.000 0.818 550 L CB 2.583 44.626 42.059 -0.027 0.000 1.310 550 L HN 0.519 nan 8.230 nan 0.000 0.416 551 P HA 0.227 nan 4.420 nan 0.000 0.276 551 P C -1.438 175.830 177.300 -0.053 0.000 1.235 551 P CA -0.250 62.813 63.100 -0.061 0.000 0.772 551 P CB 0.941 32.592 31.700 -0.083 0.000 0.871 552 K N 0.943 121.322 120.400 -0.034 0.000 2.435 552 K HA 0.414 4.752 4.320 0.030 0.000 0.251 552 K C 0.517 177.100 176.600 -0.028 0.000 0.954 552 K CA -0.729 55.541 56.287 -0.030 0.000 0.820 552 K CB 1.893 34.384 32.500 -0.014 0.000 1.292 552 K HN 0.453 nan 8.250 nan 0.000 0.436 553 T N -2.383 112.148 114.554 -0.039 0.000 2.701 553 T HA 0.015 4.384 4.350 0.030 0.000 0.303 553 T C 1.579 176.267 174.700 -0.020 0.000 1.030 553 T CA -0.233 61.841 62.100 -0.042 0.000 1.010 553 T CB 0.388 69.207 68.868 -0.082 0.000 1.007 553 T HN 0.400 nan 8.240 nan 0.000 0.532 554 V N -1.409 118.505 119.914 -0.001 0.000 2.759 554 V HA -0.000 4.138 4.120 0.030 0.000 0.256 554 V C 2.253 178.350 176.094 0.005 0.000 1.080 554 V CA 1.600 63.914 62.300 0.023 0.000 1.101 554 V CB -2.014 29.861 31.823 0.088 0.000 0.698 554 V HN 1.099 nan 8.190 nan 0.000 0.477 555 T N -2.650 111.885 114.554 -0.032 0.000 3.188 555 T HA 0.455 4.824 4.350 0.030 0.000 0.250 555 T C 1.504 176.194 174.700 -0.017 0.000 1.077 555 T CA 0.554 62.629 62.100 -0.042 0.000 0.967 555 T CB -0.094 68.685 68.868 -0.149 0.000 1.006 555 T HN 1.573 nan 8.240 nan 0.000 0.552 556 G N 1.578 110.374 108.800 -0.007 0.000 2.147 556 G HA2 -0.239 3.739 3.960 0.030 0.000 0.244 556 G HA3 -0.239 3.739 3.960 0.030 0.000 0.244 556 G C -0.198 174.693 174.900 -0.015 0.000 1.005 556 G CA -0.125 44.978 45.100 0.006 0.000 0.713 556 G HN 0.662 nan 8.290 nan 0.000 0.515 557 K N 0.107 120.483 120.400 -0.039 0.000 2.201 557 K HA 0.556 4.895 4.320 0.030 0.000 0.278 557 K C 0.850 177.428 176.600 -0.037 0.000 1.027 557 K CA -0.834 55.427 56.287 -0.043 0.000 0.909 557 K CB 1.589 34.047 32.500 -0.071 0.000 1.062 557 K HN 0.257 nan 8.250 nan 0.000 0.465 558 I N 3.251 123.805 120.570 -0.026 0.000 2.668 558 I HA -0.141 4.047 4.170 0.030 0.000 0.285 558 I C 0.508 176.599 176.117 -0.043 0.000 1.168 558 I CA 0.536 61.817 61.300 -0.032 0.000 1.424 558 I CB 0.290 38.277 38.000 -0.021 0.000 1.377 558 I HN 0.426 nan 8.210 nan 0.000 0.560 559 Q N 7.003 126.767 119.800 -0.060 0.000 2.681 559 Q HA 0.192 4.550 4.340 0.030 0.000 0.222 559 Q C 0.845 176.797 176.000 -0.080 0.000 1.258 559 Q CA -0.246 55.517 55.803 -0.065 0.000 1.014 559 Q CB 0.535 29.232 28.738 -0.068 0.000 1.384 559 Q HN 0.505 nan 8.270 nan 0.000 0.570 560 R N 0.741 121.206 120.500 -0.059 0.000 2.115 560 R HA -0.141 4.217 4.340 0.030 0.000 0.230 560 R C 1.940 178.209 176.300 -0.051 0.000 1.111 560 R CA 1.276 57.341 56.100 -0.057 0.000 0.976 560 R CB -0.149 30.140 30.300 -0.018 0.000 0.870 560 R HN 0.484 nan 8.270 nan 0.000 0.445 561 A N 1.535 124.326 122.820 -0.048 0.000 1.972 561 A HA -0.204 4.135 4.320 0.030 0.000 0.219 561 A C 2.074 179.628 177.584 -0.050 0.000 1.169 561 A CA 1.410 53.418 52.037 -0.049 0.000 0.635 561 A CB -0.284 18.684 19.000 -0.054 0.000 0.810 561 A HN 0.202 nan 8.150 nan 0.000 0.446 562 K N -0.399 119.962 120.400 -0.064 0.000 2.057 562 K HA 0.006 4.344 4.320 0.030 0.000 0.206 562 K C 1.820 178.373 176.600 -0.079 0.000 1.050 562 K CA 1.121 57.368 56.287 -0.067 0.000 0.935 562 K CB -0.265 32.189 32.500 -0.077 0.000 0.715 562 K HN 0.478 nan 8.250 nan 0.000 0.439 563 L N 0.200 121.339 121.223 -0.139 0.000 2.056 563 L HA -0.129 4.229 4.340 0.030 0.000 0.207 563 L C 2.752 179.621 176.870 -0.001 0.000 1.078 563 L CA 1.215 55.920 54.840 -0.226 0.000 0.749 563 L CB -0.374 41.369 42.059 -0.527 0.000 0.901 563 L HN 0.213 nan 8.230 nan 0.000 0.433 564 R N 0.225 120.759 120.500 0.056 0.000 2.073 564 R HA -0.181 4.177 4.340 0.030 0.000 0.234 564 R C 1.894 178.328 176.300 0.223 0.000 1.134 564 R CA 1.845 58.059 56.100 0.189 0.000 0.952 564 R CB -0.146 30.204 30.300 0.083 0.000 0.850 564 R HN 0.261 nan 8.270 nan 0.000 0.433 565 D N 0.471 120.920 120.400 0.082 0.000 2.156 565 D HA -0.246 4.412 4.640 0.030 0.000 0.190 565 D C 1.658 178.043 176.300 0.142 0.000 0.998 565 D CA 1.686 55.731 54.000 0.075 0.000 0.842 565 D CB -0.273 40.535 40.800 0.015 0.000 0.974 565 D HN 0.213 nan 8.370 nan 0.000 0.447 566 K N 0.349 120.810 120.400 0.102 0.000 2.089 566 K HA -0.254 4.084 4.320 0.030 0.000 0.210 566 K C 1.930 178.623 176.600 0.156 0.000 1.048 566 K CA 1.670 58.020 56.287 0.105 0.000 0.926 566 K CB -0.069 32.474 32.500 0.072 0.000 0.714 566 K HN -0.091 nan 8.250 nan 0.000 0.448 567 E N -0.349 119.985 120.200 0.224 0.000 2.265 567 E HA -0.150 4.218 4.350 0.030 0.000 0.196 567 E C -0.421 176.231 176.600 0.088 0.000 0.996 567 E CA 0.925 57.445 56.400 0.200 0.000 0.832 567 E CB -0.009 29.869 29.700 0.297 0.000 0.756 567 E HN 0.332 nan 8.360 nan 0.000 0.491 568 W N 1.329 122.648 121.300 0.031 0.000 2.024 568 W HA 0.468 5.147 4.660 0.032 0.000 0.318 568 W C 0.468 176.994 176.519 0.011 0.000 0.817 568 W CA 0.323 57.677 57.345 0.015 0.000 1.745 568 W CB -0.521 28.944 29.460 0.008 0.000 1.940 568 W HN 0.018 nan 8.180 nan 0.000 0.346 569 K N 0.000 120.470 120.400 0.117 0.000 2.780 569 K HA 0.000 4.338 4.320 0.030 0.000 0.191 569 K CA 0.000 56.334 56.287 0.078 0.000 0.838 569 K CB 0.000 32.541 32.500 0.068 0.000 1.064 569 K HN 0.000 nan 8.250 nan 0.000 0.543