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 2nz5_1_A DATA FIRST_RESID 13 DATA SEQUENCE PPPVRDWPAL DLDGPEFDPV LAELMREGPL TRVRLPHGEG WAWLATRYDD DATA SEQUENCE VKAITNDPRF GRAEVTQRQI TRLAPHFKPR PGSLAFADQP DHNRLRRAVA DATA SEQUENCE GAFTVGATKR LRPRAQEILD GLVDGILAEG PPADLVERVL EPFPIAVVSE DATA SEQUENCE VMGVPAADRE RVHSWTRQII STSGGAEAAE RAKRGLYGWI TETVRARAGS DATA SEQUENCE EGGDVYSMLG AAVGRGEVGE TEAVGLAGPL QIGGEAVTHN VGQMLYLLLT DATA SEQUENCE RRELMARMRE RPGARGTALD ELLRWISHRT SVGLARIALE DVEVHGTRIA DATA SEQUENCE AGEPVYVSYL AANRDPDVFP DPDRIDLDRD PNPHLAYGNG HHFCTGAVLA DATA SEQUENCE RMQTELLVDT LLERLPGLRL AVPAEQVAWR RKTMIRGPRT LPCTWHHHH 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 13 P HA 0.000 nan 4.420 nan 0.000 0.216 13 P C 0.000 177.308 177.300 0.014 0.000 1.155 13 P CA 0.000 63.159 63.100 0.098 0.000 0.800 13 P CB 0.000 31.788 31.700 0.148 0.000 0.726 14 P HA 0.408 nan 4.420 nan 0.000 0.270 14 P C -2.591 174.622 177.300 -0.144 0.000 1.223 14 P CA -0.669 62.416 63.100 -0.025 0.000 0.785 14 P CB 0.070 31.794 31.700 0.041 0.000 0.923 15 P HA 0.041 nan 4.420 nan 0.000 0.272 15 P C -0.307 176.857 177.300 -0.226 0.000 1.230 15 P CA -0.178 62.818 63.100 -0.174 0.000 0.788 15 P CB 0.501 32.135 31.700 -0.110 0.000 0.949 16 V N 4.014 123.773 119.914 -0.258 0.000 2.470 16 V HA 0.114 4.230 4.120 -0.007 0.000 0.276 16 V C 1.130 177.158 176.094 -0.110 0.000 1.040 16 V CA 0.064 62.222 62.300 -0.237 0.000 1.008 16 V CB -0.303 31.389 31.823 -0.218 0.000 0.990 16 V HN 0.444 nan 8.190 nan 0.000 0.477 17 R N 2.966 123.422 120.500 -0.074 0.000 2.346 17 R HA 0.371 4.706 4.340 -0.007 0.000 0.311 17 R C -0.884 175.425 176.300 0.016 0.000 0.983 17 R CA -0.790 55.286 56.100 -0.040 0.000 0.880 17 R CB 1.398 31.658 30.300 -0.066 0.000 1.100 17 R HN 0.633 nan 8.270 nan 0.000 0.453 18 D N 1.689 122.101 120.400 0.021 0.000 2.317 18 D HA 0.047 4.682 4.640 -0.007 0.000 0.252 18 D C -0.517 175.862 176.300 0.132 0.000 1.174 18 D CA 0.224 54.260 54.000 0.060 0.000 0.866 18 D CB 0.515 41.332 40.800 0.029 0.000 1.127 18 D HN 0.270 nan 8.370 nan 0.000 0.467 19 W N 6.316 127.574 121.300 -0.071 0.000 2.406 19 W HA 0.363 5.023 4.660 -0.001 0.000 0.308 19 W C -2.649 173.807 176.519 -0.106 0.000 0.965 19 W CA -3.028 54.264 57.345 -0.088 0.000 1.589 19 W CB 0.011 29.410 29.460 -0.103 0.000 1.417 19 W HN 0.298 nan 8.180 nan 0.000 0.415 20 P HA 0.220 nan 4.420 nan 0.000 0.271 20 P C -0.359 176.861 177.300 -0.133 0.000 1.233 20 P CA 0.030 63.119 63.100 -0.020 0.000 0.789 20 P CB 0.782 32.490 31.700 0.014 0.000 0.951 21 A N 1.358 124.073 122.820 -0.175 0.000 2.340 21 A HA 0.535 4.851 4.320 -0.007 0.000 0.268 21 A C -0.680 176.834 177.584 -0.117 0.000 1.100 21 A CA -0.021 51.892 52.037 -0.206 0.000 0.803 21 A CB -0.468 18.431 19.000 -0.168 0.000 1.043 21 A HN 0.409 nan 8.150 nan 0.000 0.488 22 L N 1.169 122.323 121.223 -0.115 0.000 2.354 22 L HA 0.424 4.759 4.340 -0.007 0.000 0.269 22 L C 0.107 176.928 176.870 -0.081 0.000 1.005 22 L CA -0.352 54.444 54.840 -0.073 0.000 0.819 22 L CB 1.802 43.832 42.059 -0.047 0.000 1.311 22 L HN 0.725 nan 8.230 nan 0.000 0.423 23 D N 3.225 123.585 120.400 -0.066 0.000 2.499 23 D HA 0.305 4.941 4.640 -0.007 0.000 0.225 23 D C -1.315 174.931 176.300 -0.090 0.000 1.124 23 D CA -0.179 53.783 54.000 -0.063 0.000 0.938 23 D CB 0.415 41.191 40.800 -0.040 0.000 1.014 23 D HN 0.425 nan 8.370 nan 0.000 0.517 24 L N 2.893 124.034 121.223 -0.137 0.000 2.318 24 L HA 0.319 4.654 4.340 -0.007 0.000 0.277 24 L C -0.258 176.382 176.870 -0.384 0.000 1.008 24 L CA -0.843 53.864 54.840 -0.221 0.000 0.846 24 L CB 1.557 43.476 42.059 -0.233 0.000 1.220 24 L HN 0.022 nan 8.230 nan 0.000 0.423 25 D N 3.494 123.662 120.400 -0.387 0.000 2.551 25 D HA 0.505 5.140 4.640 -0.007 0.000 0.223 25 D C 0.432 176.005 176.300 -1.211 0.000 1.144 25 D CA 0.573 54.185 54.000 -0.647 0.000 1.025 25 D CB 0.750 41.470 40.800 -0.134 0.000 1.085 25 D HN 0.738 nan 8.370 nan 0.000 0.506 26 G N 1.333 108.872 108.800 -2.101 0.000 2.316 26 G HA2 0.129 4.084 3.960 -0.007 0.000 0.296 26 G HA3 0.129 4.084 3.960 -0.007 0.000 0.296 26 G C -2.616 171.368 174.900 -1.526 0.000 1.399 26 G CA -0.909 43.142 45.100 -1.749 0.000 0.833 26 G HN -0.091 nan 8.290 nan 0.000 0.565 27 P HA 0.162 nan 4.420 nan 0.000 0.249 27 P C 0.271 177.522 177.300 -0.083 0.000 1.229 27 P CA 0.114 63.120 63.100 -0.157 0.000 0.788 27 P CB 0.276 32.189 31.700 0.355 0.000 1.072 28 E N 0.361 120.490 120.200 -0.117 0.000 2.565 28 E HA -0.031 4.315 4.350 -0.007 0.000 0.268 28 E C -0.192 176.329 176.600 -0.132 0.000 1.000 28 E CA 0.283 56.648 56.400 -0.058 0.000 0.964 28 E CB -0.200 29.465 29.700 -0.058 0.000 0.955 28 E HN 0.109 nan 8.360 nan 0.000 0.459 29 F N 2.517 122.312 119.950 -0.258 0.000 2.495 29 F HA 0.011 4.535 4.527 -0.006 0.000 0.365 29 F C 0.707 176.425 175.800 -0.136 0.000 1.090 29 F CA -0.427 57.420 58.000 -0.255 0.000 1.235 29 F CB 0.537 39.363 39.000 -0.289 0.000 1.119 29 F HN 0.304 nan 8.300 nan 0.000 0.562 30 D N 8.623 128.678 120.400 -0.576 0.000 2.502 30 D HA -0.041 4.595 4.640 -0.007 0.000 0.249 30 D C -1.465 174.814 176.300 -0.035 0.000 1.188 30 D CA -1.446 52.397 54.000 -0.262 0.000 0.890 30 D CB 1.115 41.780 40.800 -0.225 0.000 1.140 30 D HN 0.293 nan 8.370 nan 0.000 0.505 31 P HA -0.148 nan 4.420 nan 0.000 0.216 31 P C 1.615 178.901 177.300 -0.023 0.000 1.153 31 P CA 0.434 63.557 63.100 0.038 0.000 0.848 31 P CB 0.343 32.051 31.700 0.013 0.000 0.787 32 V N 0.605 120.479 119.914 -0.067 0.000 2.490 32 V HA -0.186 3.929 4.120 -0.007 0.000 0.250 32 V C 2.703 178.551 176.094 -0.409 0.000 1.061 32 V CA 1.279 63.454 62.300 -0.209 0.000 1.064 32 V CB -1.156 30.545 31.823 -0.205 0.000 0.670 32 V HN 0.056 nan 8.190 nan 0.000 0.461 33 L N -0.081 120.912 121.223 -0.384 0.000 2.201 33 L HA -0.091 4.245 4.340 -0.007 0.000 0.212 33 L C 2.436 179.265 176.870 -0.068 0.000 1.105 33 L CA 1.406 55.992 54.840 -0.424 0.000 0.775 33 L CB -0.368 41.560 42.059 -0.218 0.000 0.913 33 L HN 0.349 nan 8.230 nan 0.000 0.440 34 A N -0.342 122.518 122.820 0.067 0.000 1.929 34 A HA -0.145 4.170 4.320 -0.007 0.000 0.216 34 A C 2.051 179.611 177.584 -0.040 0.000 1.176 34 A CA 1.225 53.301 52.037 0.065 0.000 0.628 34 A CB -0.280 18.769 19.000 0.081 0.000 0.816 34 A HN 0.453 nan 8.150 nan 0.000 0.444 35 E N 0.105 120.255 120.200 -0.084 0.000 2.047 35 E HA -0.141 4.205 4.350 -0.007 0.000 0.191 35 E C 1.873 178.403 176.600 -0.117 0.000 0.987 35 E CA 0.856 57.199 56.400 -0.095 0.000 0.799 35 E CB -0.617 29.017 29.700 -0.109 0.000 0.752 35 E HN 0.449 nan 8.360 nan 0.000 0.449 36 L N 0.430 121.541 121.223 -0.186 0.000 2.127 36 L HA -0.096 4.239 4.340 -0.007 0.000 0.211 36 L C 2.466 179.271 176.870 -0.110 0.000 1.089 36 L CA 1.439 56.165 54.840 -0.189 0.000 0.757 36 L CB -0.707 41.146 42.059 -0.344 0.000 0.899 36 L HN 0.120 nan 8.230 nan 0.000 0.434 37 M N -0.892 118.657 119.600 -0.085 0.000 2.296 37 M HA -0.139 4.337 4.480 -0.007 0.000 0.265 37 M C 1.984 178.268 176.300 -0.027 0.000 1.064 37 M CA 1.306 56.585 55.300 -0.034 0.000 1.109 37 M CB -0.155 32.437 32.600 -0.013 0.000 1.396 37 M HN 0.282 nan 8.290 nan 0.000 0.430 38 R N -0.586 119.890 120.500 -0.040 0.000 2.290 38 R HA 0.071 4.407 4.340 -0.007 0.000 0.197 38 R C 1.420 177.698 176.300 -0.036 0.000 0.913 38 R CA 0.413 56.493 56.100 -0.033 0.000 1.040 38 R CB -0.438 29.842 30.300 -0.034 0.000 0.992 38 R HN 0.367 nan 8.270 nan 0.000 0.500 39 E N 1.526 121.699 120.200 -0.045 0.000 2.418 39 E HA 0.025 4.370 4.350 -0.007 0.000 0.197 39 E C 0.068 176.646 176.600 -0.038 0.000 1.026 39 E CA 0.716 57.090 56.400 -0.044 0.000 0.862 39 E CB 0.164 29.832 29.700 -0.053 0.000 0.799 39 E HN 0.511 nan 8.360 nan 0.000 0.518 40 G N -0.028 108.751 108.800 -0.035 0.000 2.351 40 G HA2 -0.109 3.847 3.960 -0.007 0.000 0.353 40 G HA3 -0.109 3.847 3.960 -0.007 0.000 0.353 40 G C -2.458 172.423 174.900 -0.031 0.000 1.358 40 G CA -0.284 44.788 45.100 -0.047 0.000 0.995 40 G HN -0.106 nan 8.290 nan 0.000 0.611 41 P HA 0.112 nan 4.420 nan 0.000 0.217 41 P C 0.753 178.074 177.300 0.035 0.000 1.154 41 P CA 0.829 63.933 63.100 0.007 0.000 0.841 41 P CB 0.577 32.239 31.700 -0.063 0.000 0.788 42 L N 1.069 122.292 121.223 -0.001 0.000 2.337 42 L HA 0.303 4.638 4.340 -0.007 0.000 0.269 42 L C 0.526 177.515 176.870 0.198 0.000 1.018 42 L CA -0.485 54.389 54.840 0.057 0.000 0.876 42 L CB 1.450 43.441 42.059 -0.113 0.000 1.236 42 L HN 0.008 nan 8.230 nan 0.000 0.436 43 T N -0.127 114.572 114.554 0.241 0.000 2.923 43 T HA 0.623 4.969 4.350 -0.007 0.000 0.281 43 T C 0.015 174.891 174.700 0.293 0.000 0.995 43 T CA -0.934 61.297 62.100 0.218 0.000 0.985 43 T CB 1.830 70.734 68.868 0.061 0.000 1.114 43 T HN 0.379 nan 8.240 nan 0.000 0.548 44 R N 0.256 120.779 120.500 0.040 0.000 2.534 44 R HA 0.695 5.031 4.340 -0.007 0.000 0.301 44 R C -0.799 175.495 176.300 -0.010 0.000 0.961 44 R CA -0.903 55.123 56.100 -0.124 0.000 0.871 44 R CB 2.106 32.019 30.300 -0.645 0.000 1.170 44 R HN 0.732 nan 8.270 nan 0.000 0.446 45 V N -0.226 119.763 119.914 0.126 0.000 3.040 45 V HA 0.676 4.791 4.120 -0.007 0.000 0.312 45 V C -0.769 175.437 176.094 0.187 0.000 1.115 45 V CA -1.260 61.132 62.300 0.154 0.000 0.998 45 V CB 2.220 34.184 31.823 0.235 0.000 1.042 45 V HN 0.806 nan 8.190 nan 0.000 0.433 46 R N 2.434 123.022 120.500 0.147 0.000 2.407 46 R HA 0.674 5.010 4.340 -0.007 0.000 0.298 46 R C -0.940 175.391 176.300 0.052 0.000 1.166 46 R CA -0.525 55.639 56.100 0.108 0.000 1.006 46 R CB 0.709 31.061 30.300 0.087 0.000 1.145 46 R HN 0.915 nan 8.270 nan 0.000 0.538 47 L N 5.053 126.275 121.223 -0.002 0.000 2.476 47 L HA 0.326 4.662 4.340 -0.007 0.000 0.255 47 L C -1.268 175.510 176.870 -0.154 0.000 1.218 47 L CA -2.100 52.669 54.840 -0.117 0.000 0.819 47 L CB 0.450 42.394 42.059 -0.191 0.000 1.119 47 L HN 0.453 nan 8.230 nan 0.000 0.485 48 P HA -0.128 nan 4.420 nan 0.000 0.218 48 P C -0.204 176.661 177.300 -0.726 0.000 1.146 48 P CA 1.540 64.344 63.100 -0.494 0.000 0.813 48 P CB 0.132 31.478 31.700 -0.589 0.000 0.778 49 H N -3.488 115.564 119.070 -0.030 0.000 2.930 49 H HA 0.539 5.091 4.556 -0.007 0.000 0.316 49 H C 0.828 176.152 175.328 -0.006 0.000 1.332 49 H CA 0.002 56.045 56.048 -0.009 0.000 1.198 49 H CB 1.111 30.874 29.762 0.003 0.000 1.909 49 H HN 0.090 nan 8.280 nan 0.000 0.570 50 G N 0.518 109.412 108.800 0.158 0.000 2.615 50 G HA2 -0.166 3.789 3.960 -0.007 0.000 0.218 50 G HA3 -0.166 3.789 3.960 -0.007 0.000 0.218 50 G C -1.040 173.882 174.900 0.037 0.000 1.339 50 G CA -0.454 44.689 45.100 0.072 0.000 0.884 50 G HN 0.605 nan 8.290 nan 0.000 0.559 51 E N 0.158 120.356 120.200 -0.003 0.000 2.222 51 E HA 0.567 4.912 4.350 -0.007 0.000 0.267 51 E C 0.688 177.242 176.600 -0.076 0.000 0.884 51 E CA -0.241 56.142 56.400 -0.027 0.000 0.764 51 E CB 1.658 31.337 29.700 -0.035 0.000 1.169 51 E HN 2.194 nan 8.360 nan 0.000 0.413 52 G N 2.233 110.999 108.800 -0.057 0.000 2.539 52 G HA2 -0.253 3.702 3.960 -0.007 0.000 0.256 52 G HA3 -0.253 3.702 3.960 -0.007 0.000 0.256 52 G C -0.750 174.133 174.900 -0.028 0.000 1.233 52 G CA 0.079 45.118 45.100 -0.101 0.000 0.936 52 G HN 0.660 nan 8.290 nan 0.000 0.571 53 W N -0.696 120.564 121.300 -0.066 0.000 2.967 53 W HA 0.863 5.520 4.660 -0.004 0.000 0.342 53 W C -0.061 176.400 176.519 -0.096 0.000 1.162 53 W CA -0.933 56.361 57.345 -0.086 0.000 1.085 53 W CB 1.256 30.624 29.460 -0.154 0.000 1.460 53 W HN 1.754 nan 8.180 nan 0.000 0.584 54 A N 0.228 123.239 122.820 0.318 0.000 2.539 54 A HA 0.683 4.999 4.320 -0.007 0.000 0.296 54 A C -2.041 175.761 177.584 0.364 0.000 1.073 54 A CA -0.924 51.248 52.037 0.226 0.000 0.700 54 A CB 0.951 20.140 19.000 0.315 0.000 1.296 54 A HN 0.681 nan 8.150 nan 0.000 0.405 55 W N 0.197 121.742 121.300 0.408 0.000 2.184 55 W HA 0.510 5.165 4.660 -0.010 0.000 0.338 55 W C -0.145 176.519 176.519 0.241 0.000 1.257 55 W CA 0.048 57.578 57.345 0.308 0.000 1.243 55 W CB 1.202 30.808 29.460 0.243 0.000 1.122 55 W HN 0.528 nan 8.180 nan 0.000 0.585 56 L N 3.266 124.784 121.223 0.492 0.000 2.446 56 L HA 0.648 4.984 4.340 -0.007 0.000 0.268 56 L C -0.600 176.386 176.870 0.194 0.000 0.975 56 L CA -0.693 54.330 54.840 0.305 0.000 0.848 56 L CB 1.010 43.217 42.059 0.246 0.000 1.225 56 L HN 0.401 nan 8.230 nan 0.000 0.410 57 A N 3.169 126.056 122.820 0.113 0.000 2.289 57 A HA 0.629 4.945 4.320 -0.007 0.000 0.298 57 A C 0.556 178.164 177.584 0.041 0.000 1.208 57 A CA -0.003 52.066 52.037 0.052 0.000 0.845 57 A CB 0.605 19.595 19.000 -0.017 0.000 1.125 57 A HN 0.839 nan 8.150 nan 0.000 0.517 58 T N 1.357 115.947 114.554 0.061 0.000 2.978 58 T HA 0.124 4.470 4.350 -0.007 0.000 0.248 58 T C 0.857 175.614 174.700 0.095 0.000 1.018 58 T CA 0.292 62.433 62.100 0.067 0.000 1.026 58 T CB -0.026 68.876 68.868 0.058 0.000 1.032 58 T HN 0.570 nan 8.240 nan 0.000 0.485 59 R N 1.016 121.582 120.500 0.110 0.000 2.491 59 R HA 0.275 4.610 4.340 -0.007 0.000 0.283 59 R C 0.664 177.046 176.300 0.137 0.000 1.072 59 R CA -0.281 55.901 56.100 0.137 0.000 1.048 59 R CB -0.227 30.159 30.300 0.142 0.000 0.983 59 R HN 0.224 nan 8.270 nan 0.000 0.450 60 Y N 2.419 122.762 120.300 0.073 0.000 2.014 60 Y HA -0.416 4.129 4.550 -0.009 0.000 0.272 60 Y C 1.313 177.239 175.900 0.043 0.000 1.164 60 Y CA 2.486 60.640 58.100 0.090 0.000 1.114 60 Y CB 0.048 38.555 38.460 0.079 0.000 0.961 60 Y HN 0.670 nan 8.280 nan 0.000 0.489 61 D N 0.092 120.635 120.400 0.239 0.000 2.133 61 D HA -0.199 4.436 4.640 -0.007 0.000 0.195 61 D C 1.759 178.049 176.300 -0.018 0.000 0.997 61 D CA 1.772 55.830 54.000 0.097 0.000 0.840 61 D CB -0.498 40.315 40.800 0.022 0.000 0.947 61 D HN 0.497 nan 8.370 nan 0.000 0.452 62 D N -0.067 120.310 120.400 -0.040 0.000 2.097 62 D HA -0.076 4.560 4.640 -0.007 0.000 0.197 62 D C 2.353 178.611 176.300 -0.070 0.000 0.984 62 D CA 0.371 54.342 54.000 -0.048 0.000 0.826 62 D CB -0.367 40.431 40.800 -0.004 0.000 0.973 62 D HN 0.075 nan 8.370 nan 0.000 0.460 63 V N 1.104 120.970 119.914 -0.080 0.000 2.332 63 V HA -0.236 3.880 4.120 -0.007 0.000 0.248 63 V C 2.365 178.396 176.094 -0.105 0.000 1.055 63 V CA 1.594 63.817 62.300 -0.128 0.000 1.038 63 V CB -0.314 31.426 31.823 -0.139 0.000 0.651 63 V HN 0.161 nan 8.190 nan 0.000 0.450 64 K N -0.405 119.918 120.400 -0.128 0.000 2.103 64 K HA -0.023 4.293 4.320 -0.007 0.000 0.204 64 K C 2.298 178.887 176.600 -0.018 0.000 1.052 64 K CA 1.212 57.452 56.287 -0.079 0.000 0.945 64 K CB -0.292 32.127 32.500 -0.135 0.000 0.722 64 K HN 0.471 nan 8.250 nan 0.000 0.443 65 A N 1.622 124.429 122.820 -0.021 0.000 1.841 65 A HA -0.143 4.173 4.320 -0.007 0.000 0.214 65 A C 2.079 179.675 177.584 0.020 0.000 1.195 65 A CA 1.234 53.278 52.037 0.013 0.000 0.611 65 A CB -0.658 18.350 19.000 0.013 0.000 0.835 65 A HN 0.160 nan 8.150 nan 0.000 0.443 66 I N -0.658 119.876 120.570 -0.060 0.000 2.194 66 I HA -0.250 3.915 4.170 -0.007 0.000 0.246 66 I C 2.663 178.703 176.117 -0.128 0.000 1.093 66 I CA 1.925 63.101 61.300 -0.207 0.000 1.355 66 I CB -0.453 37.288 38.000 -0.432 0.000 1.046 66 I HN 0.384 nan 8.210 nan 0.000 0.413 67 T N 0.140 114.656 114.554 -0.064 0.000 3.007 67 T HA -0.072 4.273 4.350 -0.007 0.000 0.270 67 T C 1.339 176.074 174.700 0.058 0.000 1.107 67 T CA 1.175 63.279 62.100 0.007 0.000 1.118 67 T CB -0.244 68.677 68.868 0.088 0.000 0.889 67 T HN 0.321 nan 8.240 nan 0.000 0.506 68 N N 1.186 119.939 118.700 0.088 0.000 2.200 68 N HA 0.089 4.824 4.740 -0.007 0.000 0.224 68 N C -0.788 174.823 175.510 0.169 0.000 1.179 68 N CA -0.016 53.112 53.050 0.130 0.000 0.877 68 N CB 0.594 39.137 38.487 0.093 0.000 1.072 68 N HN 0.381 nan 8.380 nan 0.000 0.519 69 D N 0.930 121.459 120.400 0.214 0.000 2.280 69 D HA 0.250 4.886 4.640 -0.007 0.000 0.236 69 D C -1.832 174.618 176.300 0.251 0.000 1.082 69 D CA -2.058 52.086 54.000 0.239 0.000 0.834 69 D CB 1.907 42.904 40.800 0.329 0.000 1.100 69 D HN -0.100 nan 8.370 nan 0.000 0.486 70 P HA -0.038 nan 4.420 nan 0.000 0.226 70 P C 0.548 177.878 177.300 0.050 0.000 1.146 70 P CA 0.722 63.881 63.100 0.099 0.000 0.773 70 P CB 0.203 31.926 31.700 0.037 0.000 0.772 71 R N -1.617 118.876 120.500 -0.011 0.000 2.325 71 R HA 0.168 4.503 4.340 -0.007 0.000 0.214 71 R C -0.236 175.790 176.300 -0.457 0.000 0.961 71 R CA 0.121 56.084 56.100 -0.227 0.000 1.086 71 R CB -0.251 29.848 30.300 -0.335 0.000 1.037 71 R HN 0.223 nan 8.270 nan 0.000 0.493 72 F N -0.666 119.321 119.950 0.060 0.000 2.536 72 F HA 0.440 4.963 4.527 -0.008 0.000 0.322 72 F C 0.647 176.500 175.800 0.088 0.000 1.144 72 F CA -0.972 57.064 58.000 0.060 0.000 0.924 72 F CB 2.013 41.043 39.000 0.050 0.000 1.181 72 F HN -0.142 nan 8.300 nan 0.000 0.438 73 G N 1.861 110.799 108.800 0.229 0.000 2.454 73 G HA2 0.524 4.479 3.960 -0.007 0.000 0.329 73 G HA3 0.524 4.479 3.960 -0.007 0.000 0.329 73 G C 0.051 175.067 174.900 0.193 0.000 1.177 73 G CA -0.439 44.782 45.100 0.201 0.000 0.951 73 G HN 0.583 nan 8.290 nan 0.000 0.485 74 R N 0.791 121.426 120.500 0.225 0.000 2.146 74 R HA 0.264 4.600 4.340 -0.007 0.000 0.206 74 R C 2.698 179.170 176.300 0.288 0.000 1.049 74 R CA 1.261 57.510 56.100 0.248 0.000 1.029 74 R CB -0.411 30.019 30.300 0.216 0.000 0.949 74 R HN 0.548 nan 8.270 nan 0.000 0.471 75 A N 1.067 124.032 122.820 0.241 0.000 1.892 75 A HA -0.206 4.110 4.320 -0.007 0.000 0.218 75 A C 1.904 179.539 177.584 0.086 0.000 1.188 75 A CA 1.757 53.898 52.037 0.173 0.000 0.631 75 A CB -0.545 18.539 19.000 0.140 0.000 0.822 75 A HN 0.266 nan 8.150 nan 0.000 0.447 76 E N -0.076 120.170 120.200 0.077 0.000 2.219 76 E HA -0.132 4.213 4.350 -0.007 0.000 0.198 76 E C 2.073 178.678 176.600 0.008 0.000 0.998 76 E CA 1.239 57.660 56.400 0.035 0.000 0.818 76 E CB -0.370 29.352 29.700 0.036 0.000 0.741 76 E HN 0.404 nan 8.360 nan 0.000 0.477 77 V N 0.992 120.913 119.914 0.012 0.000 2.490 77 V HA -0.257 3.859 4.120 -0.007 0.000 0.250 77 V C 2.614 178.685 176.094 -0.039 0.000 1.061 77 V CA 2.108 64.380 62.300 -0.047 0.000 1.064 77 V CB -1.203 30.588 31.823 -0.053 0.000 0.670 77 V HN 0.432 nan 8.190 nan 0.000 0.461 78 T N -2.482 112.011 114.554 -0.103 0.000 2.977 78 T HA -0.234 4.111 4.350 -0.007 0.000 0.271 78 T C 1.667 176.320 174.700 -0.078 0.000 1.105 78 T CA 1.426 63.440 62.100 -0.143 0.000 1.116 78 T CB -0.186 68.546 68.868 -0.226 0.000 0.878 78 T HN 0.376 nan 8.240 nan 0.000 0.509 79 Q N -0.184 119.594 119.800 -0.036 0.000 2.384 79 Q HA 0.325 4.661 4.340 -0.007 0.000 0.207 79 Q C 0.897 176.888 176.000 -0.015 0.000 0.904 79 Q CA 0.209 55.992 55.803 -0.032 0.000 0.933 79 Q CB 0.437 29.160 28.738 -0.025 0.000 1.077 79 Q HN 0.416 nan 8.270 nan 0.000 0.522 80 R N -0.503 119.998 120.500 0.002 0.000 2.719 80 R HA 0.378 4.713 4.340 -0.007 0.000 0.233 80 R C -0.162 176.154 176.300 0.027 0.000 1.257 80 R CA -0.518 55.577 56.100 -0.008 0.000 1.109 80 R CB 0.480 30.754 30.300 -0.044 0.000 1.447 80 R HN -0.064 nan 8.270 nan 0.000 0.537 81 Q N 1.115 120.910 119.800 -0.008 0.000 2.318 81 Q HA 0.339 4.674 4.340 -0.007 0.000 0.371 81 Q C -0.140 175.835 176.000 -0.042 0.000 0.896 81 Q CA -0.243 55.566 55.803 0.010 0.000 1.134 81 Q CB 0.317 29.062 28.738 0.012 0.000 1.329 81 Q HN 0.493 nan 8.270 nan 0.000 0.413 82 I N 1.142 121.656 120.570 -0.093 0.000 2.880 82 I HA -0.100 4.066 4.170 -0.007 0.000 0.296 82 I C 1.284 177.370 176.117 -0.052 0.000 1.220 82 I CA 0.559 61.789 61.300 -0.117 0.000 1.435 82 I CB 0.315 38.208 38.000 -0.178 0.000 1.339 82 I HN 0.035 nan 8.210 nan 0.000 0.583 83 T N 6.761 121.308 114.554 -0.011 0.000 2.946 83 T HA 0.120 4.466 4.350 -0.007 0.000 0.312 83 T C -0.087 174.673 174.700 0.100 0.000 1.066 83 T CA 0.139 62.265 62.100 0.043 0.000 1.138 83 T CB 0.078 68.981 68.868 0.058 0.000 1.014 83 T HN 0.797 nan 8.240 nan 0.000 0.544 84 R N 3.126 123.654 120.500 0.046 0.000 2.752 84 R HA 0.509 4.844 4.340 -0.007 0.000 0.271 84 R C 0.084 176.368 176.300 -0.026 0.000 1.026 84 R CA -1.055 55.058 56.100 0.022 0.000 0.901 84 R CB 0.405 30.701 30.300 -0.006 0.000 1.243 84 R HN 0.494 nan 8.270 nan 0.000 0.463 85 L N 0.649 121.819 121.223 -0.088 0.000 2.131 85 L HA 0.356 4.692 4.340 -0.007 0.000 0.206 85 L C 0.550 177.459 176.870 0.065 0.000 1.087 85 L CA 1.665 56.445 54.840 -0.101 0.000 0.767 85 L CB -0.279 41.652 42.059 -0.213 0.000 0.917 85 L HN 0.816 nan 8.230 nan 0.000 0.441 86 A N 0.707 123.568 122.820 0.068 0.000 2.409 86 A HA 0.402 4.718 4.320 -0.007 0.000 0.262 86 A C -1.450 176.192 177.584 0.097 0.000 1.113 86 A CA -0.854 51.245 52.037 0.104 0.000 0.790 86 A CB -0.364 18.701 19.000 0.109 0.000 1.046 86 A HN 0.327 nan 8.150 nan 0.000 0.496 87 P HA -0.162 nan 4.420 nan 0.000 0.216 87 P C 0.258 177.486 177.300 -0.120 0.000 1.150 87 P CA 1.721 64.534 63.100 -0.478 0.000 0.843 87 P CB -0.131 31.338 31.700 -0.385 0.000 0.787 88 H N -1.782 117.247 119.070 -0.068 0.000 2.690 88 H HA 0.484 5.035 4.556 -0.007 0.000 0.368 88 H C -1.986 173.429 175.328 0.145 0.000 1.150 88 H CA -1.384 54.672 56.048 0.013 0.000 1.174 88 H CB 1.480 31.233 29.762 -0.016 0.000 1.684 88 H HN -0.137 nan 8.280 nan 0.000 0.538 89 F N 3.820 123.520 119.950 -0.416 0.000 2.577 89 F HA 0.400 4.923 4.527 -0.006 0.000 0.344 89 F C -0.931 174.636 175.800 -0.389 0.000 1.145 89 F CA -0.859 56.898 58.000 -0.404 0.000 0.996 89 F CB 1.067 39.956 39.000 -0.185 0.000 1.248 89 F HN 0.692 nan 8.300 nan 0.000 0.447 90 K N 8.333 128.229 120.400 -0.840 0.000 2.842 90 K HA 0.356 4.671 4.320 -0.007 0.000 0.176 90 K C -2.631 173.639 176.600 -0.551 0.000 1.080 90 K CA -1.739 54.155 56.287 -0.656 0.000 0.954 90 K CB 0.594 32.921 32.500 -0.289 0.000 1.203 90 K HN 0.359 nan 8.250 nan 0.000 0.611 91 P HA -0.036 nan 4.420 nan 0.000 0.264 91 P C -0.889 176.301 177.300 -0.184 0.000 1.183 91 P CA 0.186 63.052 63.100 -0.390 0.000 0.763 91 P CB 0.692 32.020 31.700 -0.620 0.000 0.807 92 R N 3.529 124.009 120.500 -0.033 0.000 2.540 92 R HA 0.468 4.803 4.340 -0.007 0.000 0.287 92 R C -2.133 174.167 176.300 0.000 0.000 0.980 92 R CA -1.981 54.099 56.100 -0.035 0.000 0.966 92 R CB 0.215 30.488 30.300 -0.045 0.000 1.106 92 R HN 0.359 nan 8.270 nan 0.000 0.480 93 P HA 0.057 nan 4.420 nan 0.000 0.268 93 P C 0.334 177.636 177.300 0.004 0.000 1.204 93 P CA 0.577 63.677 63.100 -0.001 0.000 0.768 93 P CB 0.756 32.447 31.700 -0.016 0.000 0.842 94 G N 1.585 110.400 108.800 0.024 0.000 2.157 94 G HA2 -0.229 3.726 3.960 -0.007 0.000 0.239 94 G HA3 -0.229 3.726 3.960 -0.007 0.000 0.239 94 G C 0.331 175.241 174.900 0.017 0.000 0.982 94 G CA 0.085 45.193 45.100 0.013 0.000 0.650 94 G HN 0.782 nan 8.290 nan 0.000 0.527 95 S N 0.180 115.916 115.700 0.060 0.000 2.481 95 S HA 0.545 5.011 4.470 -0.007 0.000 0.276 95 S C 1.920 176.561 174.600 0.068 0.000 1.247 95 S CA -0.163 58.080 58.200 0.071 0.000 1.053 95 S CB 0.600 63.902 63.200 0.171 0.000 0.925 95 S HN 0.393 nan 8.310 nan 0.000 0.491 96 L N 5.001 126.224 121.223 -0.001 0.000 2.017 96 L HA -0.093 4.243 4.340 -0.007 0.000 0.208 96 L C 3.017 180.010 176.870 0.205 0.000 1.073 96 L CA 1.565 56.399 54.840 -0.009 0.000 0.745 96 L CB -1.137 40.852 42.059 -0.117 0.000 0.894 96 L HN 0.873 nan 8.230 nan 0.000 0.432 97 A N 0.355 123.181 122.820 0.010 0.000 1.896 97 A HA -0.257 4.059 4.320 -0.007 0.000 0.220 97 A C 1.776 179.123 177.584 -0.395 0.000 1.206 97 A CA 2.031 53.900 52.037 -0.280 0.000 0.647 97 A CB -0.986 17.658 19.000 -0.594 0.000 0.828 97 A HN 0.452 nan 8.150 nan 0.000 0.455 98 F N -0.574 119.455 119.950 0.133 0.000 2.639 98 F HA 0.508 5.030 4.527 -0.008 0.000 0.300 98 F C 0.973 176.891 175.800 0.197 0.000 1.109 98 F CA 0.030 58.109 58.000 0.132 0.000 1.335 98 F CB 0.214 39.285 39.000 0.118 0.000 1.014 98 F HN 0.245 nan 8.300 nan 0.000 0.537 99 A N 0.162 123.230 122.820 0.414 0.000 2.305 99 A HA 0.511 4.827 4.320 -0.007 0.000 0.322 99 A C -0.461 177.374 177.584 0.419 0.000 1.187 99 A CA -0.601 51.646 52.037 0.350 0.000 0.825 99 A CB 0.556 19.704 19.000 0.246 0.000 1.164 99 A HN 0.059 nan 8.150 nan 0.000 0.498 100 D N 0.824 121.395 120.400 0.285 0.000 2.384 100 D HA 0.326 4.961 4.640 -0.007 0.000 0.250 100 D C -0.232 176.147 176.300 0.131 0.000 1.029 100 D CA -0.341 53.792 54.000 0.223 0.000 0.990 100 D CB 0.605 41.510 40.800 0.176 0.000 1.175 100 D HN 0.438 nan 8.370 nan 0.000 0.532 101 Q N 0.710 120.523 119.800 0.022 0.000 2.361 101 Q HA 0.152 4.487 4.340 -0.007 0.000 0.276 101 Q C -1.555 174.457 176.000 0.019 0.000 1.022 101 Q CA -0.912 54.884 55.803 -0.012 0.000 0.898 101 Q CB 0.143 28.821 28.738 -0.099 0.000 1.246 101 Q HN 0.223 nan 8.270 nan 0.000 0.410 102 P HA 0.051 nan 4.420 nan 0.000 0.245 102 P C 0.244 177.574 177.300 0.050 0.000 1.203 102 P CA 0.170 63.285 63.100 0.024 0.000 0.792 102 P CB 0.572 32.280 31.700 0.013 0.000 0.997 103 D N -0.342 120.097 120.400 0.065 0.000 2.106 103 D HA -0.240 4.396 4.640 -0.007 0.000 0.191 103 D C 1.757 178.105 176.300 0.081 0.000 0.997 103 D CA 1.262 55.303 54.000 0.069 0.000 0.834 103 D CB -0.555 40.293 40.800 0.081 0.000 0.956 103 D HN 0.294 nan 8.370 nan 0.000 0.448 104 H N 1.350 120.443 119.070 0.038 0.000 2.319 104 H HA -0.144 4.407 4.556 -0.007 0.000 0.297 104 H C 1.901 177.231 175.328 0.003 0.000 1.097 104 H CA 1.482 57.548 56.048 0.031 0.000 1.285 104 H CB -0.140 29.634 29.762 0.019 0.000 1.368 104 H HN 0.087 nan 8.280 nan 0.000 0.495 105 N N 0.928 119.742 118.700 0.191 0.000 2.084 105 N HA -0.164 4.572 4.740 -0.007 0.000 0.190 105 N C 2.363 177.893 175.510 0.033 0.000 1.030 105 N CA 1.204 54.326 53.050 0.120 0.000 0.849 105 N CB -0.308 38.219 38.487 0.065 0.000 1.012 105 N HN 0.457 nan 8.380 nan 0.000 0.423 106 R N 0.644 121.157 120.500 0.021 0.000 2.096 106 R HA -0.052 4.283 4.340 -0.007 0.000 0.235 106 R C 2.345 178.636 176.300 -0.015 0.000 1.127 106 R CA 0.888 56.992 56.100 0.006 0.000 0.968 106 R CB -0.155 30.151 30.300 0.011 0.000 0.861 106 R HN 0.225 nan 8.270 nan 0.000 0.440 107 L N -0.063 121.134 121.223 -0.044 0.000 2.023 107 L HA -0.083 4.253 4.340 -0.007 0.000 0.205 107 L C 2.905 179.723 176.870 -0.087 0.000 1.073 107 L CA 1.304 56.101 54.840 -0.071 0.000 0.745 107 L CB -0.534 41.462 42.059 -0.105 0.000 0.900 107 L HN 0.221 nan 8.230 nan 0.000 0.435 108 R N 0.314 120.729 120.500 -0.143 0.000 2.103 108 R HA -0.187 4.148 4.340 -0.007 0.000 0.242 108 R C 2.473 178.763 176.300 -0.016 0.000 1.142 108 R CA 1.549 57.588 56.100 -0.102 0.000 0.960 108 R CB -0.093 30.155 30.300 -0.086 0.000 0.858 108 R HN 0.277 nan 8.270 nan 0.000 0.439 109 R N -0.577 119.922 120.500 -0.002 0.000 2.120 109 R HA -0.096 4.240 4.340 -0.007 0.000 0.234 109 R C 2.103 178.416 176.300 0.021 0.000 1.123 109 R CA 1.246 57.356 56.100 0.017 0.000 0.975 109 R CB -0.208 30.101 30.300 0.015 0.000 0.866 109 R HN 0.228 nan 8.270 nan 0.000 0.446 110 A N 0.344 123.172 122.820 0.013 0.000 2.168 110 A HA -0.055 4.261 4.320 -0.007 0.000 0.215 110 A C 1.889 179.497 177.584 0.040 0.000 1.152 110 A CA 1.463 53.513 52.037 0.021 0.000 0.716 110 A CB 0.076 19.084 19.000 0.014 0.000 0.794 110 A HN 0.290 nan 8.150 nan 0.000 0.465 111 V N -5.886 114.062 119.914 0.055 0.000 3.359 111 V HA 0.485 4.601 4.120 -0.007 0.000 0.270 111 V C 1.970 178.198 176.094 0.224 0.000 1.583 111 V CA 0.735 63.105 62.300 0.118 0.000 1.019 111 V CB -0.577 31.314 31.823 0.113 0.000 0.831 111 V HN 0.321 nan 8.190 nan 0.000 0.426 112 A N 1.967 124.885 122.820 0.163 0.000 1.986 112 A HA -0.009 4.307 4.320 -0.007 0.000 0.220 112 A C 2.265 179.977 177.584 0.214 0.000 1.171 112 A CA 2.307 54.474 52.037 0.217 0.000 0.640 112 A CB -1.385 17.680 19.000 0.109 0.000 0.811 112 A HN 0.997 nan 8.150 nan 0.000 0.451 113 G N -0.886 107.980 108.800 0.111 0.000 2.479 113 G HA2 0.031 3.986 3.960 -0.007 0.000 0.220 113 G HA3 0.031 3.986 3.960 -0.007 0.000 0.220 113 G C 1.365 176.255 174.900 -0.016 0.000 1.115 113 G CA 1.148 46.275 45.100 0.046 0.000 0.757 113 G HN 0.888 nan 8.290 nan 0.000 0.560 114 A N -0.517 122.257 122.820 -0.076 0.000 2.251 114 A HA 0.524 4.839 4.320 -0.007 0.000 0.209 114 A C 1.175 178.382 177.584 -0.629 0.000 1.187 114 A CA 0.082 51.907 52.037 -0.353 0.000 0.823 114 A CB -0.037 18.675 19.000 -0.479 0.000 0.846 114 A HN 0.277 nan 8.150 nan 0.000 0.486 115 F N 0.298 120.234 119.950 -0.023 0.000 2.683 115 F HA 0.144 4.667 4.527 -0.007 0.000 0.306 115 F C 1.367 177.161 175.800 -0.010 0.000 1.102 115 F CA 0.119 58.107 58.000 -0.020 0.000 1.244 115 F CB 0.031 39.022 39.000 -0.015 0.000 1.029 115 F HN 0.102 nan 8.300 nan 0.000 0.545 116 T N -2.682 111.920 114.554 0.079 0.000 2.828 116 T HA 0.203 4.548 4.350 -0.007 0.000 0.290 116 T C 1.466 176.181 174.700 0.024 0.000 1.019 116 T CA -0.480 61.652 62.100 0.053 0.000 1.031 116 T CB 1.522 70.406 68.868 0.025 0.000 1.001 116 T HN -0.077 nan 8.240 nan 0.000 0.531 117 V N 2.711 122.636 119.914 0.019 0.000 2.287 117 V HA -0.078 4.038 4.120 -0.007 0.000 0.248 117 V C 2.961 179.053 176.094 -0.002 0.000 1.053 117 V CA 2.450 64.755 62.300 0.008 0.000 1.027 117 V CB -1.654 30.171 31.823 0.004 0.000 0.646 117 V HN 1.122 nan 8.190 nan 0.000 0.447 118 G N -0.598 108.199 108.800 -0.005 0.000 2.442 118 G HA2 -0.207 3.748 3.960 -0.007 0.000 0.219 118 G HA3 -0.207 3.748 3.960 -0.007 0.000 0.219 118 G C 1.742 176.629 174.900 -0.022 0.000 1.141 118 G CA 1.085 46.178 45.100 -0.011 0.000 0.763 118 G HN 0.635 nan 8.290 nan 0.000 0.554 119 A N 0.264 123.064 122.820 -0.033 0.000 1.930 119 A HA 0.022 4.338 4.320 -0.007 0.000 0.217 119 A C 2.533 180.078 177.584 -0.065 0.000 1.175 119 A CA 2.346 54.346 52.037 -0.062 0.000 0.627 119 A CB -0.819 18.121 19.000 -0.099 0.000 0.815 119 A HN 0.291 nan 8.150 nan 0.000 0.443 120 T N 0.177 114.703 114.554 -0.047 0.000 2.746 120 T HA -0.129 4.216 4.350 -0.007 0.000 0.267 120 T C 1.895 176.583 174.700 -0.021 0.000 1.039 120 T CA 1.710 63.788 62.100 -0.036 0.000 1.142 120 T CB -0.191 68.670 68.868 -0.011 0.000 0.866 120 T HN 0.550 nan 8.240 nan 0.000 0.444 121 K N 0.755 121.146 120.400 -0.014 0.000 2.057 121 K HA -0.018 4.297 4.320 -0.007 0.000 0.207 121 K C 2.604 179.198 176.600 -0.010 0.000 1.049 121 K CA 1.028 57.311 56.287 -0.006 0.000 0.931 121 K CB -0.135 32.362 32.500 -0.004 0.000 0.714 121 K HN 0.146 nan 8.250 nan 0.000 0.440 122 R N 0.537 121.025 120.500 -0.019 0.000 2.096 122 R HA -0.108 4.227 4.340 -0.007 0.000 0.235 122 R C 2.220 178.506 176.300 -0.023 0.000 1.127 122 R CA 0.929 57.016 56.100 -0.021 0.000 0.968 122 R CB -0.167 30.115 30.300 -0.029 0.000 0.861 122 R HN 0.085 nan 8.270 nan 0.000 0.440 123 L N 0.667 121.870 121.223 -0.033 0.000 2.179 123 L HA -0.041 4.295 4.340 -0.007 0.000 0.208 123 L C 2.216 179.080 176.870 -0.010 0.000 1.096 123 L CA 1.397 56.215 54.840 -0.036 0.000 0.779 123 L CB -0.388 41.632 42.059 -0.065 0.000 0.922 123 L HN 0.004 nan 8.230 nan 0.000 0.443 124 R N -0.010 120.491 120.500 0.001 0.000 2.136 124 R HA -0.228 4.108 4.340 -0.007 0.000 0.242 124 R C -0.467 175.852 176.300 0.031 0.000 1.131 124 R CA 2.665 58.779 56.100 0.024 0.000 0.937 124 R CB -1.543 28.770 30.300 0.021 0.000 0.863 124 R HN 0.290 nan 8.270 nan 0.000 0.435 125 P HA -0.202 nan 4.420 nan 0.000 0.215 125 P C 0.737 178.053 177.300 0.027 0.000 1.157 125 P CA 1.527 64.638 63.100 0.019 0.000 0.874 125 P CB -0.110 31.596 31.700 0.010 0.000 0.790 126 R N 0.355 120.868 120.500 0.022 0.000 2.096 126 R HA -0.029 4.306 4.340 -0.007 0.000 0.235 126 R C 2.022 178.355 176.300 0.055 0.000 1.127 126 R CA 1.978 58.093 56.100 0.026 0.000 0.968 126 R CB -1.615 28.690 30.300 0.008 0.000 0.861 126 R HN 0.055 nan 8.270 nan 0.000 0.440 127 A N 0.157 123.019 122.820 0.069 0.000 1.933 127 A HA -0.221 4.094 4.320 -0.007 0.000 0.218 127 A C 2.118 179.853 177.584 0.252 0.000 1.175 127 A CA 1.707 53.839 52.037 0.158 0.000 0.628 127 A CB -0.658 18.429 19.000 0.145 0.000 0.814 127 A HN 0.483 nan 8.150 nan 0.000 0.444 128 Q N -0.125 119.755 119.800 0.132 0.000 2.050 128 Q HA -0.209 4.126 4.340 -0.007 0.000 0.202 128 Q C 1.942 177.966 176.000 0.040 0.000 0.980 128 Q CA 2.264 58.106 55.803 0.065 0.000 0.840 128 Q CB -0.311 28.445 28.738 0.029 0.000 0.898 128 Q HN 0.614 nan 8.270 nan 0.000 0.424 129 E N -0.033 120.194 120.200 0.046 0.000 2.106 129 E HA -0.112 4.234 4.350 -0.007 0.000 0.192 129 E C 1.797 178.425 176.600 0.047 0.000 0.984 129 E CA 1.304 57.722 56.400 0.031 0.000 0.806 129 E CB -0.381 29.335 29.700 0.026 0.000 0.750 129 E HN 0.557 nan 8.360 nan 0.000 0.458 130 I N -0.015 120.612 120.570 0.095 0.000 2.142 130 I HA -0.256 3.910 4.170 -0.007 0.000 0.240 130 I C 2.297 178.490 176.117 0.126 0.000 1.078 130 I CA 0.901 62.278 61.300 0.129 0.000 1.343 130 I CB -0.336 37.774 38.000 0.183 0.000 1.046 130 I HN 0.223 nan 8.210 nan 0.000 0.405 131 L N 0.844 122.137 121.223 0.117 0.000 2.042 131 L HA -0.257 4.079 4.340 -0.007 0.000 0.210 131 L C 1.984 178.781 176.870 -0.122 0.000 1.076 131 L CA 2.026 56.779 54.840 -0.145 0.000 0.749 131 L CB -0.865 40.901 42.059 -0.488 0.000 0.893 131 L HN 0.196 nan 8.230 nan 0.000 0.432 132 D N -0.476 119.879 120.400 -0.076 0.000 2.178 132 D HA -0.130 4.505 4.640 -0.007 0.000 0.201 132 D C 2.067 178.335 176.300 -0.054 0.000 0.980 132 D CA 1.317 55.273 54.000 -0.074 0.000 0.842 132 D CB -0.294 40.477 40.800 -0.049 0.000 0.948 132 D HN 0.549 nan 8.370 nan 0.000 0.472 133 G N 0.746 109.532 108.800 -0.022 0.000 2.404 133 G HA2 -0.171 3.784 3.960 -0.007 0.000 0.215 133 G HA3 -0.171 3.784 3.960 -0.007 0.000 0.215 133 G C 1.830 176.718 174.900 -0.020 0.000 1.174 133 G CA 0.210 45.303 45.100 -0.011 0.000 0.780 133 G HN 0.250 nan 8.290 nan 0.000 0.537 134 L N 0.335 121.547 121.223 -0.018 0.000 2.042 134 L HA -0.102 4.233 4.340 -0.007 0.000 0.210 134 L C 2.954 179.781 176.870 -0.071 0.000 1.076 134 L CA 0.525 55.349 54.840 -0.026 0.000 0.749 134 L CB -0.550 41.501 42.059 -0.012 0.000 0.893 134 L HN 0.085 nan 8.230 nan 0.000 0.432 135 V N -0.450 119.395 119.914 -0.115 0.000 2.427 135 V HA -0.245 3.870 4.120 -0.007 0.000 0.248 135 V C 2.118 178.128 176.094 -0.141 0.000 1.051 135 V CA 1.643 63.840 62.300 -0.171 0.000 1.048 135 V CB -0.533 31.164 31.823 -0.209 0.000 0.666 135 V HN 0.415 nan 8.190 nan 0.000 0.456 136 D N 0.916 121.263 120.400 -0.089 0.000 2.104 136 D HA -0.152 4.484 4.640 -0.007 0.000 0.194 136 D C 2.218 178.497 176.300 -0.036 0.000 0.994 136 D CA 1.766 55.733 54.000 -0.056 0.000 0.830 136 D CB -0.723 40.060 40.800 -0.028 0.000 0.959 136 D HN 0.452 nan 8.370 nan 0.000 0.452 137 G N 1.839 110.623 108.800 -0.028 0.000 2.553 137 G HA2 -0.282 3.674 3.960 -0.007 0.000 0.218 137 G HA3 -0.282 3.674 3.960 -0.007 0.000 0.218 137 G C 1.771 176.676 174.900 0.009 0.000 1.195 137 G CA 1.465 46.563 45.100 -0.005 0.000 0.779 137 G HN 0.480 nan 8.290 nan 0.000 0.577 138 I N -1.513 119.049 120.570 -0.014 0.000 2.493 138 I HA 0.048 4.213 4.170 -0.007 0.000 0.254 138 I C 2.503 178.684 176.117 0.107 0.000 1.160 138 I CA 0.895 62.224 61.300 0.048 0.000 1.445 138 I CB -0.261 37.738 38.000 -0.001 0.000 1.086 138 I HN 0.126 nan 8.210 nan 0.000 0.433 139 L N 1.439 122.643 121.223 -0.031 0.000 2.093 139 L HA -0.075 4.261 4.340 -0.007 0.000 0.208 139 L C 3.087 179.994 176.870 0.062 0.000 1.085 139 L CA 1.277 56.119 54.840 0.003 0.000 0.755 139 L CB -0.608 41.395 42.059 -0.093 0.000 0.904 139 L HN 0.364 nan 8.230 nan 0.000 0.435 140 A N 0.036 122.888 122.820 0.053 0.000 1.902 140 A HA -0.211 4.105 4.320 -0.007 0.000 0.217 140 A C 2.126 179.768 177.584 0.096 0.000 1.181 140 A CA 1.629 53.711 52.037 0.075 0.000 0.623 140 A CB -0.381 18.650 19.000 0.052 0.000 0.818 140 A HN 0.463 nan 8.150 nan 0.000 0.443 141 E N -1.246 119.008 120.200 0.091 0.000 2.152 141 E HA 0.303 4.648 4.350 -0.007 0.000 0.192 141 E C 0.867 177.526 176.600 0.097 0.000 0.983 141 E CA 0.317 56.772 56.400 0.092 0.000 0.818 141 E CB -0.141 29.607 29.700 0.081 0.000 0.758 141 E HN 0.750 nan 8.360 nan 0.000 0.467 142 G N 0.703 109.543 108.800 0.067 0.000 2.770 142 G HA2 -0.136 3.820 3.960 -0.007 0.000 0.686 142 G HA3 -0.136 3.820 3.960 -0.007 0.000 0.686 142 G C -2.340 172.421 174.900 -0.230 0.000 1.180 142 G CA -0.733 44.301 45.100 -0.111 0.000 0.767 142 G HN -0.163 nan 8.290 nan 0.000 0.646 143 P HA -0.206 nan 4.420 nan 0.000 0.224 143 P C -1.800 174.924 177.300 -0.961 0.000 1.031 143 P CA 2.445 64.547 63.100 -1.663 0.000 1.031 143 P CB -0.985 30.094 31.700 -1.035 0.000 0.742 144 P HA 0.171 nan 4.420 nan 0.000 0.256 144 P C -0.839 176.433 177.300 -0.046 0.000 1.189 144 P CA 1.417 64.403 63.100 -0.189 0.000 0.808 144 P CB -0.233 31.402 31.700 -0.107 0.000 0.793 145 A N 3.121 125.974 122.820 0.055 0.000 2.488 145 A HA 0.400 4.715 4.320 -0.007 0.000 0.295 145 A C -1.091 176.574 177.584 0.134 0.000 1.045 145 A CA -0.604 51.532 52.037 0.164 0.000 0.703 145 A CB 1.019 20.237 19.000 0.363 0.000 1.271 145 A HN 0.356 nan 8.150 nan 0.000 0.400 146 D N 3.081 123.530 120.400 0.081 0.000 2.374 146 D HA 0.256 4.892 4.640 -0.007 0.000 0.240 146 D C 1.043 177.375 176.300 0.052 0.000 1.229 146 D CA -0.205 53.828 54.000 0.055 0.000 0.895 146 D CB 0.188 41.008 40.800 0.035 0.000 1.046 146 D HN 0.436 nan 8.370 nan 0.000 0.498 147 L N 3.157 124.411 121.223 0.051 0.000 2.129 147 L HA -0.198 4.138 4.340 -0.007 0.000 0.212 147 L C 2.091 178.969 176.870 0.013 0.000 1.087 147 L CA 0.588 55.442 54.840 0.024 0.000 0.757 147 L CB -0.287 41.780 42.059 0.014 0.000 0.896 147 L HN 0.387 nan 8.230 nan 0.000 0.434 148 V N -0.004 119.918 119.914 0.015 0.000 2.229 148 V HA -0.299 3.817 4.120 -0.007 0.000 0.243 148 V C 2.499 178.610 176.094 0.029 0.000 1.042 148 V CA 2.156 64.466 62.300 0.016 0.000 1.000 148 V CB -0.479 31.348 31.823 0.005 0.000 0.637 148 V HN 0.521 nan 8.190 nan 0.000 0.446 149 E N -0.123 120.096 120.200 0.031 0.000 2.110 149 E HA -0.228 4.117 4.350 -0.007 0.000 0.193 149 E C 2.274 178.902 176.600 0.046 0.000 0.988 149 E CA 0.944 57.369 56.400 0.041 0.000 0.804 149 E CB 0.064 29.785 29.700 0.034 0.000 0.745 149 E HN 0.343 nan 8.360 nan 0.000 0.458 150 R N -0.290 120.232 120.500 0.037 0.000 2.240 150 R HA 0.066 4.401 4.340 -0.007 0.000 0.203 150 R C 1.671 177.984 176.300 0.022 0.000 1.011 150 R CA 0.463 56.582 56.100 0.032 0.000 1.007 150 R CB 0.476 30.794 30.300 0.031 0.000 0.911 150 R HN 0.200 nan 8.270 nan 0.000 0.468 151 V N -0.901 119.024 119.914 0.018 0.000 3.261 151 V HA 0.046 4.161 4.120 -0.007 0.000 0.212 151 V C 1.910 178.035 176.094 0.053 0.000 1.381 151 V CA -0.001 62.303 62.300 0.007 0.000 1.322 151 V CB -0.144 31.638 31.823 -0.068 0.000 1.188 151 V HN -0.052 nan 8.190 nan 0.000 0.520 152 L N 0.718 121.963 121.223 0.037 0.000 2.141 152 L HA -0.079 4.257 4.340 -0.007 0.000 0.209 152 L C 2.560 179.459 176.870 0.048 0.000 1.094 152 L CA 1.716 56.590 54.840 0.056 0.000 0.763 152 L CB -0.354 41.721 42.059 0.026 0.000 0.908 152 L HN 0.434 nan 8.230 nan 0.000 0.437 153 E N 1.000 121.223 120.200 0.039 0.000 2.021 153 E HA -0.133 4.212 4.350 -0.007 0.000 0.189 153 E C -0.552 176.053 176.600 0.009 0.000 0.980 153 E CA 1.239 57.651 56.400 0.020 0.000 0.803 153 E CB -0.856 28.879 29.700 0.058 0.000 0.766 153 E HN 0.283 nan 8.360 nan 0.000 0.449 154 P HA -0.099 nan 4.420 nan 0.000 0.220 154 P C 1.756 179.086 177.300 0.050 0.000 1.152 154 P CA 0.758 63.892 63.100 0.058 0.000 0.812 154 P CB -0.363 31.444 31.700 0.178 0.000 0.792 155 F N 2.888 122.810 119.950 -0.046 0.000 2.046 155 F HA -0.085 4.438 4.527 -0.008 0.000 0.297 155 F C -0.870 174.896 175.800 -0.057 0.000 1.123 155 F CA 1.832 59.805 58.000 -0.045 0.000 1.199 155 F CB -2.005 36.973 39.000 -0.037 0.000 0.972 155 F HN -0.026 nan 8.300 nan 0.000 0.474 156 P HA -0.189 nan 4.420 nan 0.000 0.215 156 P C 2.136 179.266 177.300 -0.283 0.000 1.157 156 P CA 2.213 65.112 63.100 -0.334 0.000 0.868 156 P CB -0.144 31.475 31.700 -0.134 0.000 0.788 157 I N -0.700 119.729 120.570 -0.236 0.000 2.208 157 I HA -0.286 3.879 4.170 -0.007 0.000 0.245 157 I C 2.349 178.341 176.117 -0.209 0.000 1.097 157 I CA 1.608 62.761 61.300 -0.245 0.000 1.363 157 I CB -0.869 36.875 38.000 -0.426 0.000 1.051 157 I HN -0.079 nan 8.210 nan 0.000 0.413 158 A N 0.436 123.135 122.820 -0.202 0.000 1.877 158 A HA -0.157 4.159 4.320 -0.007 0.000 0.216 158 A C 2.436 179.925 177.584 -0.158 0.000 1.186 158 A CA 1.924 53.884 52.037 -0.129 0.000 0.620 158 A CB -0.992 17.972 19.000 -0.060 0.000 0.822 158 A HN 0.238 nan 8.150 nan 0.000 0.443 159 V N -0.500 119.244 119.914 -0.284 0.000 2.295 159 V HA -0.217 3.899 4.120 -0.007 0.000 0.246 159 V C 2.538 178.521 176.094 -0.184 0.000 1.049 159 V CA 1.927 64.061 62.300 -0.276 0.000 1.024 159 V CB -0.810 30.732 31.823 -0.468 0.000 0.648 159 V HN 0.352 nan 8.190 nan 0.000 0.447 160 V N -0.104 119.708 119.914 -0.170 0.000 2.490 160 V HA -0.224 3.892 4.120 -0.007 0.000 0.250 160 V C 2.465 178.522 176.094 -0.061 0.000 1.061 160 V CA 2.241 64.489 62.300 -0.088 0.000 1.064 160 V CB -0.477 31.318 31.823 -0.046 0.000 0.670 160 V HN 0.555 nan 8.190 nan 0.000 0.461 161 S N -1.107 114.560 115.700 -0.056 0.000 2.481 161 S HA -0.083 4.382 4.470 -0.007 0.000 0.231 161 S C 1.877 176.478 174.600 0.002 0.000 0.996 161 S CA 0.602 58.801 58.200 -0.002 0.000 0.942 161 S CB -0.098 63.104 63.200 0.003 0.000 0.768 161 S HN 0.607 nan 8.310 nan 0.000 0.520 162 E N 0.755 120.929 120.200 -0.043 0.000 2.051 162 E HA -0.015 4.330 4.350 -0.007 0.000 0.189 162 E C 2.195 178.750 176.600 -0.076 0.000 0.979 162 E CA 0.721 57.096 56.400 -0.042 0.000 0.803 162 E CB -0.224 29.440 29.700 -0.060 0.000 0.761 162 E HN 0.280 nan 8.360 nan 0.000 0.451 163 V N 1.783 121.618 119.914 -0.131 0.000 2.343 163 V HA -0.263 3.853 4.120 -0.007 0.000 0.247 163 V C 2.435 178.399 176.094 -0.216 0.000 1.051 163 V CA 1.379 63.545 62.300 -0.224 0.000 1.036 163 V CB -0.372 31.252 31.823 -0.333 0.000 0.654 163 V HN 0.283 nan 8.190 nan 0.000 0.451 164 M N -0.620 118.882 119.600 -0.164 0.000 2.175 164 M HA 0.068 4.543 4.480 -0.007 0.000 0.264 164 M C 1.743 177.945 176.300 -0.164 0.000 1.063 164 M CA 1.626 56.772 55.300 -0.257 0.000 1.119 164 M CB -1.095 31.330 32.600 -0.291 0.000 1.377 164 M HN 0.612 nan 8.290 nan 0.000 0.415 165 G N 0.516 109.332 108.800 0.027 0.000 2.145 165 G HA2 -0.137 3.818 3.960 -0.007 0.000 0.176 165 G HA3 -0.137 3.818 3.960 -0.007 0.000 0.176 165 G C -0.081 175.025 174.900 0.343 0.000 1.013 165 G CA -0.126 45.067 45.100 0.154 0.000 0.689 165 G HN 0.289 nan 8.290 nan 0.000 0.506 166 V N 0.841 120.979 119.914 0.374 0.000 2.655 166 V HA 0.166 4.281 4.120 -0.007 0.000 0.300 166 V C 0.261 176.526 176.094 0.286 0.000 1.044 166 V CA -0.183 62.390 62.300 0.454 0.000 1.095 166 V CB 0.763 32.740 31.823 0.256 0.000 0.952 166 V HN 0.198 nan 8.190 nan 0.000 0.485 167 P HA -0.209 nan 4.420 nan 0.000 0.217 167 P C 0.751 178.128 177.300 0.128 0.000 0.876 167 P CA 2.548 65.768 63.100 0.201 0.000 1.034 167 P CB 0.227 32.064 31.700 0.229 0.000 0.655 168 A N -4.204 118.679 122.820 0.104 0.000 3.134 168 A HA 0.360 4.676 4.320 -0.007 0.000 0.200 168 A C 1.645 179.254 177.584 0.042 0.000 1.506 168 A CA 0.628 52.701 52.037 0.061 0.000 1.391 168 A CB -1.293 17.738 19.000 0.052 0.000 1.156 168 A HN 0.219 nan 8.150 nan 0.000 0.432 169 A N 0.006 122.856 122.820 0.051 0.000 2.168 169 A HA 0.114 4.429 4.320 -0.007 0.000 0.215 169 A C 1.247 178.842 177.584 0.020 0.000 1.152 169 A CA 2.037 54.092 52.037 0.031 0.000 0.716 169 A CB -0.380 18.645 19.000 0.041 0.000 0.794 169 A HN 0.392 nan 8.150 nan 0.000 0.465 170 D N -1.024 119.407 120.400 0.050 0.000 2.366 170 D HA 0.078 4.714 4.640 -0.007 0.000 0.205 170 D C 2.015 178.246 176.300 -0.115 0.000 1.022 170 D CA 0.186 54.186 54.000 -0.000 0.000 0.868 170 D CB -0.133 40.777 40.800 0.183 0.000 0.953 170 D HN 0.344 nan 8.370 nan 0.000 0.514 171 R N 0.865 121.338 120.500 -0.045 0.000 2.112 171 R HA -0.166 4.170 4.340 -0.007 0.000 0.242 171 R C 2.000 178.260 176.300 -0.067 0.000 1.137 171 R CA 1.340 57.413 56.100 -0.046 0.000 0.944 171 R CB -0.165 30.137 30.300 0.003 0.000 0.857 171 R HN 0.082 nan 8.270 nan 0.000 0.435 172 E N 0.767 120.922 120.200 -0.076 0.000 2.130 172 E HA -0.223 4.123 4.350 -0.007 0.000 0.196 172 E C 1.888 178.363 176.600 -0.208 0.000 0.998 172 E CA 1.456 57.789 56.400 -0.111 0.000 0.806 172 E CB 0.068 29.699 29.700 -0.115 0.000 0.738 172 E HN 0.277 nan 8.360 nan 0.000 0.459 173 R N -0.114 120.207 120.500 -0.298 0.000 2.062 173 R HA -0.042 4.294 4.340 -0.007 0.000 0.229 173 R C 2.595 178.573 176.300 -0.536 0.000 1.128 173 R CA 1.113 56.870 56.100 -0.571 0.000 0.960 173 R CB -0.704 29.189 30.300 -0.677 0.000 0.855 173 R HN 0.107 nan 8.270 nan 0.000 0.432 174 V N 1.095 120.824 119.914 -0.308 0.000 2.287 174 V HA -0.282 3.833 4.120 -0.007 0.000 0.248 174 V C 2.491 178.621 176.094 0.061 0.000 1.053 174 V CA 2.121 64.366 62.300 -0.092 0.000 1.027 174 V CB -0.884 30.805 31.823 -0.223 0.000 0.646 174 V HN 0.360 nan 8.190 nan 0.000 0.447 175 H N 0.519 119.531 119.070 -0.096 0.000 2.290 175 H HA -0.171 4.380 4.556 -0.007 0.000 0.298 175 H C 2.664 177.962 175.328 -0.049 0.000 1.087 175 H CA 2.143 58.159 56.048 -0.053 0.000 1.291 175 H CB -0.596 29.127 29.762 -0.064 0.000 1.369 175 H HN 0.402 nan 8.280 nan 0.000 0.492 176 S N -0.391 115.292 115.700 -0.028 0.000 2.365 176 S HA -0.181 4.285 4.470 -0.007 0.000 0.225 176 S C 2.195 176.804 174.600 0.016 0.000 1.039 176 S CA 1.644 59.763 58.200 -0.135 0.000 1.033 176 S CB -0.444 62.567 63.200 -0.315 0.000 0.887 176 S HN 0.534 nan 8.310 nan 0.000 0.447 177 W N 1.411 122.694 121.300 -0.028 0.000 2.380 177 W HA 0.033 4.688 4.660 -0.008 0.000 0.317 177 W C 2.801 179.313 176.519 -0.012 0.000 1.196 177 W CA 1.287 58.606 57.345 -0.043 0.000 1.307 177 W CB -1.710 27.700 29.460 -0.082 0.000 1.157 177 W HN 0.273 nan 8.180 nan 0.000 0.483 178 T N 0.513 115.228 114.554 0.267 0.000 2.836 178 T HA -0.236 4.110 4.350 -0.007 0.000 0.268 178 T C 1.484 176.270 174.700 0.143 0.000 1.080 178 T CA 1.246 63.443 62.100 0.162 0.000 1.128 178 T CB -0.370 68.559 68.868 0.101 0.000 0.839 178 T HN 0.051 nan 8.240 nan 0.000 0.507 179 R N 1.688 122.296 120.500 0.180 0.000 2.514 179 R HA -0.001 4.335 4.340 -0.007 0.000 0.216 179 R C 1.721 178.083 176.300 0.104 0.000 1.295 179 R CA 0.168 56.356 56.100 0.147 0.000 1.246 179 R CB -0.151 30.233 30.300 0.140 0.000 1.057 179 R HN 0.668 nan 8.270 nan 0.000 0.490 180 Q N -0.699 119.160 119.800 0.097 0.000 2.253 180 Q HA 0.060 4.396 4.340 -0.007 0.000 0.210 180 Q C 0.958 176.998 176.000 0.066 0.000 0.907 180 Q CA 0.340 56.182 55.803 0.066 0.000 0.948 180 Q CB 0.256 29.016 28.738 0.036 0.000 1.033 180 Q HN 0.410 nan 8.270 nan 0.000 0.471 181 I N 0.077 120.696 120.570 0.083 0.000 3.339 181 I HA 0.012 4.178 4.170 -0.007 0.000 0.285 181 I C 0.389 176.559 176.117 0.089 0.000 1.201 181 I CA -0.099 61.260 61.300 0.098 0.000 1.434 181 I CB 0.054 38.126 38.000 0.119 0.000 1.152 181 I HN 0.148 nan 8.210 nan 0.000 0.443 182 I N -0.439 120.178 120.570 0.080 0.000 4.891 182 I HA -0.403 3.763 4.170 -0.007 0.000 0.042 182 I C 0.260 176.415 176.117 0.062 0.000 0.647 182 I CA 0.906 62.244 61.300 0.063 0.000 0.283 182 I CB -1.310 36.715 38.000 0.041 0.000 0.372 182 I HN 0.032 nan 8.210 nan 0.000 0.183 183 S N 0.255 115.978 115.700 0.038 0.000 2.577 183 S HA 0.538 5.004 4.470 -0.007 0.000 0.294 183 S C 0.409 175.015 174.600 0.009 0.000 1.161 183 S CA 0.107 58.322 58.200 0.025 0.000 1.143 183 S CB 1.180 64.392 63.200 0.020 0.000 0.991 183 S HN 0.824 nan 8.310 nan 0.000 0.475 184 T N 1.173 115.724 114.554 -0.005 0.000 11.675 184 T HA -0.234 4.112 4.350 -0.007 0.000 0.407 184 T C 0.185 174.883 174.700 -0.004 0.000 1.535 184 T CA 1.877 63.968 62.100 -0.014 0.000 2.503 184 T CB -1.226 67.638 68.868 -0.007 0.000 2.785 184 T HN 1.124 nan 8.240 nan 0.000 0.895 185 S N -1.683 114.021 115.700 0.006 0.000 3.028 185 S HA 0.397 4.863 4.470 -0.007 0.000 0.242 185 S C 0.353 174.958 174.600 0.008 0.000 0.628 185 S CA 0.597 58.801 58.200 0.008 0.000 0.803 185 S CB -0.149 63.052 63.200 0.001 0.000 1.006 185 S HN 1.165 nan 8.310 nan 0.000 0.611 186 G N 1.464 110.271 108.800 0.010 0.000 3.126 186 G HA2 0.582 4.537 3.960 -0.007 0.000 0.224 186 G HA3 0.582 4.537 3.960 -0.007 0.000 0.224 186 G C 0.760 175.661 174.900 0.003 0.000 1.142 186 G CA 0.344 45.449 45.100 0.008 0.000 0.759 186 G HN 1.666 nan 8.290 nan 0.000 0.550 187 G N -1.783 107.016 108.800 -0.001 0.000 2.322 187 G HA2 0.515 4.471 3.960 -0.007 0.000 0.289 187 G HA3 0.515 4.471 3.960 -0.007 0.000 0.289 187 G C 0.306 175.197 174.900 -0.016 0.000 1.687 187 G CA -0.058 45.037 45.100 -0.008 0.000 0.944 187 G HN 0.624 nan 8.290 nan 0.000 0.718 188 A N 0.829 123.633 122.820 -0.027 0.000 1.843 188 A HA 0.431 4.747 4.320 -0.007 0.000 0.213 188 A C 2.415 179.970 177.584 -0.048 0.000 1.202 188 A CA 2.548 54.559 52.037 -0.044 0.000 0.607 188 A CB -1.023 17.942 19.000 -0.058 0.000 0.847 188 A HN 1.903 nan 8.150 nan 0.000 0.445 189 E N -0.228 119.947 120.200 -0.040 0.000 2.209 189 E HA 0.049 4.394 4.350 -0.007 0.000 0.196 189 E C 2.072 178.655 176.600 -0.028 0.000 0.993 189 E CA 1.878 58.256 56.400 -0.037 0.000 0.819 189 E CB -0.979 28.705 29.700 -0.028 0.000 0.745 189 E HN 0.931 nan 8.360 nan 0.000 0.477 190 A N 0.417 123.225 122.820 -0.019 0.000 1.930 190 A HA 0.427 4.743 4.320 -0.007 0.000 0.215 190 A C 2.780 180.358 177.584 -0.010 0.000 1.176 190 A CA 1.748 53.781 52.037 -0.006 0.000 0.632 190 A CB -0.416 18.586 19.000 0.003 0.000 0.819 190 A HN 0.897 nan 8.150 nan 0.000 0.445 191 A N -0.106 122.702 122.820 -0.021 0.000 1.898 191 A HA -0.093 4.222 4.320 -0.007 0.000 0.216 191 A C 1.645 179.190 177.584 -0.066 0.000 1.181 191 A CA 1.424 53.444 52.037 -0.028 0.000 0.620 191 A CB -0.354 18.633 19.000 -0.022 0.000 0.819 191 A HN 0.378 nan 8.150 nan 0.000 0.442 192 E N -0.641 119.518 120.200 -0.069 0.000 2.526 192 E HA -0.033 4.313 4.350 -0.007 0.000 0.198 192 E C 1.624 178.166 176.600 -0.096 0.000 1.091 192 E CA 0.247 56.594 56.400 -0.088 0.000 0.880 192 E CB -0.020 29.636 29.700 -0.073 0.000 0.873 192 E HN 0.645 nan 8.360 nan 0.000 0.527 193 R N -0.049 120.404 120.500 -0.079 0.000 2.119 193 R HA 0.173 4.508 4.340 -0.007 0.000 0.202 193 R C 2.153 178.397 176.300 -0.093 0.000 1.114 193 R CA 0.842 56.907 56.100 -0.058 0.000 1.089 193 R CB -0.007 30.291 30.300 -0.005 0.000 1.000 193 R HN 0.090 nan 8.270 nan 0.000 0.487 194 A N 2.523 125.314 122.820 -0.049 0.000 1.948 194 A HA -0.238 4.078 4.320 -0.007 0.000 0.220 194 A C 1.883 179.221 177.584 -0.411 0.000 1.177 194 A CA 2.047 54.073 52.037 -0.019 0.000 0.636 194 A CB -0.414 18.643 19.000 0.096 0.000 0.815 194 A HN 0.495 nan 8.150 nan 0.000 0.449 195 K N -1.072 119.055 120.400 -0.455 0.000 2.243 195 K HA 0.040 4.355 4.320 -0.007 0.000 0.201 195 K C 2.033 178.153 176.600 -0.799 0.000 1.051 195 K CA 0.849 56.620 56.287 -0.860 0.000 0.970 195 K CB -0.158 31.701 32.500 -1.068 0.000 0.755 195 K HN 0.284 nan 8.250 nan 0.000 0.465 196 R N 1.111 121.338 120.500 -0.456 0.000 2.096 196 R HA -0.072 4.264 4.340 -0.007 0.000 0.235 196 R C 2.301 178.394 176.300 -0.345 0.000 1.127 196 R CA 1.789 57.724 56.100 -0.275 0.000 0.968 196 R CB -0.494 29.715 30.300 -0.151 0.000 0.861 196 R HN 0.458 nan 8.270 nan 0.000 0.440 197 G N 0.092 108.544 108.800 -0.579 0.000 2.395 197 G HA2 -0.190 3.766 3.960 -0.007 0.000 0.214 197 G HA3 -0.190 3.766 3.960 -0.007 0.000 0.214 197 G C 1.197 175.234 174.900 -1.440 0.000 1.177 197 G CA 0.284 44.849 45.100 -0.892 0.000 0.794 197 G HN 0.262 nan 8.290 nan 0.000 0.532 198 L N -0.112 120.190 121.223 -1.536 0.000 2.046 198 L HA 0.068 4.404 4.340 -0.007 0.000 0.208 198 L C 2.557 179.348 176.870 -0.132 0.000 1.077 198 L CA 1.513 55.848 54.840 -0.841 0.000 0.747 198 L CB -0.632 41.144 42.059 -0.470 0.000 0.896 198 L HN 0.435 nan 8.230 nan 0.000 0.432 199 Y N -1.413 118.757 120.300 -0.216 0.000 2.439 199 Y HA -0.046 4.499 4.550 -0.008 0.000 0.292 199 Y C 2.324 178.179 175.900 -0.074 0.000 1.130 199 Y CA 0.041 58.094 58.100 -0.079 0.000 1.254 199 Y CB -0.346 38.077 38.460 -0.063 0.000 1.000 199 Y HN 0.349 nan 8.280 nan 0.000 0.554 200 G N -0.346 108.463 108.800 0.015 0.000 2.396 200 G HA2 -0.267 3.688 3.960 -0.007 0.000 0.214 200 G HA3 -0.267 3.688 3.960 -0.007 0.000 0.214 200 G C 1.256 176.169 174.900 0.022 0.000 1.166 200 G CA 0.292 45.392 45.100 0.000 0.000 0.793 200 G HN 0.572 nan 8.290 nan 0.000 0.533 201 W N 1.146 122.353 121.300 -0.155 0.000 2.381 201 W HA 0.034 4.689 4.660 -0.008 0.000 0.301 201 W C 2.251 178.697 176.519 -0.123 0.000 1.205 201 W CA 1.106 58.401 57.345 -0.083 0.000 1.285 201 W CB -0.078 29.374 29.460 -0.014 0.000 1.133 201 W HN 0.148 nan 8.180 nan 0.000 0.521 202 I N 0.074 120.743 120.570 0.165 0.000 2.142 202 I HA -0.368 3.797 4.170 -0.007 0.000 0.240 202 I C 2.400 178.378 176.117 -0.231 0.000 1.078 202 I CA 1.945 63.197 61.300 -0.080 0.000 1.343 202 I CB -1.053 37.053 38.000 0.177 0.000 1.046 202 I HN -0.090 nan 8.210 nan 0.000 0.405 203 T N -0.179 114.312 114.554 -0.105 0.000 2.635 203 T HA -0.261 4.084 4.350 -0.007 0.000 0.267 203 T C 1.826 176.421 174.700 -0.176 0.000 1.040 203 T CA 1.755 63.791 62.100 -0.107 0.000 1.156 203 T CB -0.273 68.561 68.868 -0.055 0.000 0.863 203 T HN 0.233 nan 8.240 nan 0.000 0.430 204 E N 0.602 120.666 120.200 -0.226 0.000 2.077 204 E HA -0.079 4.267 4.350 -0.007 0.000 0.193 204 E C 2.471 178.853 176.600 -0.365 0.000 0.989 204 E CA 1.276 57.522 56.400 -0.256 0.000 0.800 204 E CB -0.700 28.855 29.700 -0.243 0.000 0.746 204 E HN 0.402 nan 8.360 nan 0.000 0.452 205 T N -0.234 113.945 114.554 -0.625 0.000 2.720 205 T HA -0.122 4.223 4.350 -0.007 0.000 0.268 205 T C 1.877 176.345 174.700 -0.386 0.000 1.037 205 T CA 1.368 63.048 62.100 -0.701 0.000 1.144 205 T CB -0.267 67.812 68.868 -1.314 0.000 0.864 205 T HN -0.003 nan 8.240 nan 0.000 0.444 206 V N 1.291 121.022 119.914 -0.305 0.000 2.358 206 V HA -0.142 3.974 4.120 -0.007 0.000 0.246 206 V C 2.578 178.613 176.094 -0.099 0.000 1.047 206 V CA 1.521 63.743 62.300 -0.130 0.000 1.035 206 V CB -0.551 31.231 31.823 -0.069 0.000 0.658 206 V HN 0.381 nan 8.190 nan 0.000 0.452 207 R N 0.401 120.829 120.500 -0.119 0.000 2.083 207 R HA -0.020 4.315 4.340 -0.007 0.000 0.237 207 R C 1.309 177.561 176.300 -0.080 0.000 1.137 207 R CA 1.203 57.251 56.100 -0.086 0.000 0.951 207 R CB -0.429 29.818 30.300 -0.088 0.000 0.851 207 R HN 0.529 nan 8.270 nan 0.000 0.434 208 A N 0.563 123.317 122.820 -0.109 0.000 2.327 208 A HA 0.248 4.564 4.320 -0.007 0.000 0.255 208 A C 0.189 177.732 177.584 -0.070 0.000 1.099 208 A CA -0.142 51.843 52.037 -0.088 0.000 0.801 208 A CB 0.260 19.193 19.000 -0.112 0.000 1.062 208 A HN 0.482 nan 8.150 nan 0.000 0.496 209 R N -1.400 119.075 120.500 -0.042 0.000 3.936 209 R HA -0.243 4.092 4.340 -0.007 0.000 0.366 209 R C 1.259 177.551 176.300 -0.013 0.000 1.158 209 R CA 0.737 56.825 56.100 -0.020 0.000 0.969 209 R CB -2.415 27.878 30.300 -0.012 0.000 1.504 209 R HN 1.071 nan 8.270 nan 0.000 0.538 210 A N 0.714 123.522 122.820 -0.020 0.000 1.908 210 A HA -0.003 4.313 4.320 -0.007 0.000 0.218 210 A C 1.327 178.907 177.584 -0.006 0.000 1.181 210 A CA 1.751 53.779 52.037 -0.014 0.000 0.627 210 A CB -0.059 18.931 19.000 -0.018 0.000 0.818 210 A HN 0.433 nan 8.150 nan 0.000 0.445 211 G N -0.696 108.100 108.800 -0.006 0.000 2.671 211 G HA2 0.485 4.441 3.960 -0.007 0.000 0.318 211 G HA3 0.485 4.441 3.960 -0.007 0.000 0.318 211 G C -0.674 174.226 174.900 0.001 0.000 1.250 211 G CA 0.550 45.649 45.100 -0.002 0.000 1.028 211 G HN 0.517 nan 8.290 nan 0.000 0.501 212 S N 1.261 116.963 115.700 0.005 0.000 2.536 212 S HA 0.433 4.898 4.470 -0.007 0.000 0.271 212 S C 0.233 174.839 174.600 0.010 0.000 1.134 212 S CA -0.642 57.563 58.200 0.008 0.000 0.897 212 S CB 1.743 64.951 63.200 0.014 0.000 1.094 212 S HN 0.367 nan 8.310 nan 0.000 0.473 213 E N 2.267 122.473 120.200 0.009 0.000 2.340 213 E HA 0.172 4.517 4.350 -0.007 0.000 0.194 213 E C 1.306 177.911 176.600 0.008 0.000 0.996 213 E CA 0.463 56.867 56.400 0.007 0.000 0.869 213 E CB -0.503 29.200 29.700 0.005 0.000 0.835 213 E HN 0.856 nan 8.360 nan 0.000 0.493 214 G N 0.836 109.643 108.800 0.011 0.000 2.638 214 G HA2 -0.050 3.905 3.960 -0.007 0.000 0.227 214 G HA3 -0.050 3.905 3.960 -0.007 0.000 0.227 214 G C 0.995 175.898 174.900 0.005 0.000 1.096 214 G CA 0.434 45.541 45.100 0.012 0.000 0.866 214 G HN 0.270 nan 8.290 nan 0.000 0.493 215 G N 0.913 109.709 108.800 -0.006 0.000 2.683 215 G HA2 0.052 4.007 3.960 -0.007 0.000 0.213 215 G HA3 0.052 4.007 3.960 -0.007 0.000 0.213 215 G C 0.523 175.400 174.900 -0.038 0.000 1.142 215 G CA 0.243 45.329 45.100 -0.023 0.000 0.793 215 G HN 0.685 nan 8.290 nan 0.000 0.534 216 D N 0.245 120.631 120.400 -0.023 0.000 2.383 216 D HA -0.024 4.612 4.640 -0.007 0.000 0.233 216 D C 1.648 177.924 176.300 -0.040 0.000 1.233 216 D CA -0.042 53.939 54.000 -0.032 0.000 0.881 216 D CB 1.593 42.413 40.800 0.033 0.000 1.212 216 D HN -0.068 nan 8.370 nan 0.000 0.467 217 V N 0.916 120.772 119.914 -0.097 0.000 2.273 217 V HA -0.237 3.879 4.120 -0.007 0.000 0.242 217 V C 2.068 178.150 176.094 -0.020 0.000 1.035 217 V CA 1.229 63.479 62.300 -0.082 0.000 1.013 217 V CB -0.853 30.880 31.823 -0.149 0.000 0.652 217 V HN 0.585 nan 8.190 nan 0.000 0.452 218 Y N 0.917 121.260 120.300 0.072 0.000 2.102 218 Y HA -0.308 4.238 4.550 -0.007 0.000 0.280 218 Y C 2.953 178.861 175.900 0.014 0.000 1.178 218 Y CA 1.636 59.764 58.100 0.048 0.000 1.146 218 Y CB -0.386 38.110 38.460 0.061 0.000 0.968 218 Y HN 0.204 nan 8.280 nan 0.000 0.504 219 S N 0.170 115.969 115.700 0.164 0.000 2.348 219 S HA -0.253 4.212 4.470 -0.007 0.000 0.221 219 S C 1.951 176.586 174.600 0.059 0.000 1.033 219 S CA 1.668 59.919 58.200 0.086 0.000 1.010 219 S CB -0.464 62.771 63.200 0.059 0.000 0.891 219 S HN 0.387 nan 8.310 nan 0.000 0.442 220 M N 0.718 120.346 119.600 0.048 0.000 2.202 220 M HA -0.088 4.387 4.480 -0.007 0.000 0.262 220 M C 2.172 178.497 176.300 0.042 0.000 1.063 220 M CA 1.206 56.528 55.300 0.035 0.000 1.097 220 M CB -0.379 32.237 32.600 0.027 0.000 1.382 220 M HN 0.287 nan 8.290 nan 0.000 0.413 221 L N -0.403 120.858 121.223 0.063 0.000 2.056 221 L HA -0.090 4.246 4.340 -0.007 0.000 0.207 221 L C 2.380 179.280 176.870 0.049 0.000 1.078 221 L CA 1.419 56.298 54.840 0.065 0.000 0.749 221 L CB -0.686 41.439 42.059 0.111 0.000 0.901 221 L HN 0.350 nan 8.230 nan 0.000 0.433 222 G N -0.982 107.849 108.800 0.052 0.000 2.432 222 G HA2 -0.249 3.706 3.960 -0.007 0.000 0.219 222 G HA3 -0.249 3.706 3.960 -0.007 0.000 0.219 222 G C 1.589 176.496 174.900 0.013 0.000 1.135 222 G CA 0.689 45.802 45.100 0.022 0.000 0.767 222 G HN 0.543 nan 8.290 nan 0.000 0.550 223 A N 0.913 123.744 122.820 0.018 0.000 1.968 223 A HA 0.437 4.753 4.320 -0.007 0.000 0.217 223 A C 2.735 180.324 177.584 0.010 0.000 1.169 223 A CA 1.843 53.887 52.037 0.011 0.000 0.638 223 A CB -0.526 18.482 19.000 0.013 0.000 0.812 223 A HN 0.641 nan 8.150 nan 0.000 0.446 224 A N -0.537 122.292 122.820 0.014 0.000 1.929 224 A HA 0.088 4.403 4.320 -0.007 0.000 0.216 224 A C 2.195 179.784 177.584 0.008 0.000 1.176 224 A CA 1.536 53.580 52.037 0.012 0.000 0.628 224 A CB -0.773 18.236 19.000 0.015 0.000 0.816 224 A HN 0.300 nan 8.150 nan 0.000 0.444 225 V N 0.008 119.926 119.914 0.008 0.000 2.237 225 V HA -0.197 3.918 4.120 -0.007 0.000 0.245 225 V C 2.874 178.967 176.094 -0.002 0.000 1.046 225 V CA 2.125 64.426 62.300 0.002 0.000 1.007 225 V CB -1.475 30.347 31.823 -0.002 0.000 0.638 225 V HN 0.587 nan 8.190 nan 0.000 0.445 226 G N -0.510 108.288 108.800 -0.003 0.000 2.469 226 G HA2 -0.279 3.677 3.960 -0.007 0.000 0.220 226 G HA3 -0.279 3.677 3.960 -0.007 0.000 0.220 226 G C 1.660 176.559 174.900 -0.003 0.000 1.136 226 G CA 0.688 45.785 45.100 -0.005 0.000 0.759 226 G HN 0.454 nan 8.290 nan 0.000 0.562 227 R N -0.003 120.497 120.500 -0.000 0.000 2.313 227 R HA 0.218 4.554 4.340 -0.007 0.000 0.199 227 R C 1.758 178.058 176.300 0.000 0.000 0.958 227 R CA 0.417 56.518 56.100 0.001 0.000 1.047 227 R CB -0.015 30.286 30.300 0.002 0.000 0.955 227 R HN 0.365 nan 8.270 nan 0.000 0.481 228 G N 1.411 110.211 108.800 -0.000 0.000 2.203 228 G HA2 -0.324 3.631 3.960 -0.007 0.000 0.263 228 G HA3 -0.324 3.631 3.960 -0.007 0.000 0.263 228 G C 0.499 175.400 174.900 0.001 0.000 1.012 228 G CA 0.740 45.840 45.100 -0.000 0.000 0.749 228 G HN 0.489 nan 8.290 nan 0.000 0.512 229 E N -1.027 119.175 120.200 0.003 0.000 2.158 229 E HA 0.166 4.512 4.350 -0.007 0.000 0.191 229 E C 1.737 178.339 176.600 0.004 0.000 0.982 229 E CA 1.383 57.786 56.400 0.004 0.000 0.823 229 E CB 0.185 29.888 29.700 0.005 0.000 0.766 229 E HN 1.114 nan 8.360 nan 0.000 0.468 230 V N -2.520 117.396 119.914 0.004 0.000 3.342 230 V HA 0.420 4.536 4.120 -0.007 0.000 0.494 230 V C 0.423 176.518 176.094 0.001 0.000 1.598 230 V CA -0.416 61.886 62.300 0.003 0.000 1.948 230 V CB 0.103 31.927 31.823 0.003 0.000 1.274 230 V HN 0.093 nan 8.190 nan 0.000 0.650 231 G N 0.700 109.500 108.800 -0.000 0.000 3.168 231 G HA2 0.122 4.077 3.960 -0.007 0.000 0.238 231 G HA3 0.122 4.077 3.960 -0.007 0.000 0.238 231 G C 0.325 175.222 174.900 -0.006 0.000 1.256 231 G CA 0.483 45.581 45.100 -0.004 0.000 0.872 231 G HN 0.634 nan 8.290 nan 0.000 0.609 232 E N -1.091 119.103 120.200 -0.011 0.000 2.617 232 E HA -0.042 4.303 4.350 -0.007 0.000 0.269 232 E C 1.798 178.389 176.600 -0.016 0.000 1.384 232 E CA 1.227 57.618 56.400 -0.015 0.000 1.195 232 E CB -0.217 29.471 29.700 -0.020 0.000 0.975 232 E HN 0.706 nan 8.360 nan 0.000 0.516 233 T N -0.213 114.329 114.554 -0.020 0.000 11.666 233 T HA -0.263 4.083 4.350 -0.007 0.000 0.399 233 T C 1.057 175.743 174.700 -0.025 0.000 1.591 233 T CA 1.991 64.078 62.100 -0.022 0.000 2.578 233 T CB -0.987 67.871 68.868 -0.017 0.000 2.705 233 T HN 0.573 nan 8.240 nan 0.000 0.852 234 E N 0.407 120.595 120.200 -0.019 0.000 2.452 234 E HA 0.459 4.805 4.350 -0.007 0.000 0.197 234 E C 2.364 178.951 176.600 -0.020 0.000 1.022 234 E CA 0.510 56.900 56.400 -0.017 0.000 0.890 234 E CB 0.010 29.706 29.700 -0.007 0.000 0.918 234 E HN 0.614 nan 8.360 nan 0.000 0.496 235 A N 1.142 123.952 122.820 -0.017 0.000 1.849 235 A HA -0.221 4.094 4.320 -0.007 0.000 0.217 235 A C 2.422 179.994 177.584 -0.020 0.000 1.202 235 A CA 1.682 53.718 52.037 -0.002 0.000 0.629 235 A CB -1.008 17.993 19.000 0.001 0.000 0.834 235 A HN 0.128 nan 8.150 nan 0.000 0.447 236 V N -0.019 119.850 119.914 -0.076 0.000 2.324 236 V HA -0.236 3.880 4.120 -0.007 0.000 0.250 236 V C 2.781 178.743 176.094 -0.220 0.000 1.060 236 V CA 2.191 64.373 62.300 -0.197 0.000 1.042 236 V CB -1.532 30.092 31.823 -0.331 0.000 0.650 236 V HN 0.689 nan 8.190 nan 0.000 0.450 237 G N -1.248 107.467 108.800 -0.142 0.000 2.443 237 G HA2 -0.168 3.788 3.960 -0.007 0.000 0.219 237 G HA3 -0.168 3.788 3.960 -0.007 0.000 0.219 237 G C 1.581 176.449 174.900 -0.053 0.000 1.131 237 G CA 0.735 45.780 45.100 -0.092 0.000 0.775 237 G HN 0.438 nan 8.290 nan 0.000 0.547 238 L N -0.045 121.154 121.223 -0.039 0.000 2.084 238 L HA 0.189 4.525 4.340 -0.007 0.000 0.202 238 L C 3.152 180.012 176.870 -0.017 0.000 1.074 238 L CA 1.214 56.037 54.840 -0.028 0.000 0.757 238 L CB -0.187 41.863 42.059 -0.015 0.000 0.918 238 L HN 0.301 nan 8.230 nan 0.000 0.444 239 A N -0.483 122.351 122.820 0.024 0.000 1.975 239 A HA 0.011 4.327 4.320 -0.007 0.000 0.215 239 A C 2.208 179.842 177.584 0.083 0.000 1.170 239 A CA 1.029 53.112 52.037 0.077 0.000 0.656 239 A CB -1.014 18.121 19.000 0.226 0.000 0.821 239 A HN 0.484 nan 8.150 nan 0.000 0.449 240 G N 0.955 109.766 108.800 0.018 0.000 2.599 240 G HA2 -0.266 3.690 3.960 -0.007 0.000 0.219 240 G HA3 -0.266 3.690 3.960 -0.007 0.000 0.219 240 G C -0.214 174.736 174.900 0.084 0.000 1.193 240 G CA 1.534 46.645 45.100 0.018 0.000 0.778 240 G HN 0.487 nan 8.290 nan 0.000 0.589 241 P HA -0.031 nan 4.420 nan 0.000 0.216 241 P C 2.045 179.356 177.300 0.018 0.000 1.150 241 P CA 0.769 63.887 63.100 0.030 0.000 0.837 241 P CB -0.123 31.571 31.700 -0.009 0.000 0.786 242 L N -1.115 120.106 121.223 -0.003 0.000 2.027 242 L HA -0.177 4.158 4.340 -0.007 0.000 0.206 242 L C 2.709 179.617 176.870 0.064 0.000 1.074 242 L CA 1.348 56.182 54.840 -0.010 0.000 0.745 242 L CB -1.104 40.941 42.059 -0.023 0.000 0.898 242 L HN -0.071 nan 8.230 nan 0.000 0.433 243 Q N 0.461 120.319 119.800 0.097 0.000 2.170 243 Q HA -0.171 4.165 4.340 -0.007 0.000 0.203 243 Q C 1.665 177.727 176.000 0.103 0.000 0.976 243 Q CA 1.644 57.524 55.803 0.127 0.000 0.858 243 Q CB 0.095 28.979 28.738 0.243 0.000 0.907 243 Q HN 0.377 nan 8.270 nan 0.000 0.433 244 I N -0.563 120.071 120.570 0.108 0.000 3.956 244 I HA 0.216 4.382 4.170 -0.007 0.000 0.333 244 I C 1.658 177.810 176.117 0.058 0.000 1.302 244 I CA 0.679 62.032 61.300 0.088 0.000 1.122 244 I CB -0.828 37.247 38.000 0.124 0.000 1.013 244 I HN 0.257 nan 8.210 nan 0.000 0.405 245 G N 1.122 109.950 108.800 0.046 0.000 2.559 245 G HA2 -0.123 3.833 3.960 -0.007 0.000 0.216 245 G HA3 -0.123 3.833 3.960 -0.007 0.000 0.216 245 G C 1.635 176.548 174.900 0.022 0.000 1.126 245 G CA 0.694 45.813 45.100 0.032 0.000 0.778 245 G HN 0.446 nan 8.290 nan 0.000 0.543 246 G N 1.534 110.333 108.800 -0.002 0.000 2.432 246 G HA2 -0.209 3.747 3.960 -0.007 0.000 0.219 246 G HA3 -0.209 3.747 3.960 -0.007 0.000 0.219 246 G C 1.531 176.394 174.900 -0.063 0.000 1.135 246 G CA 1.149 46.225 45.100 -0.040 0.000 0.767 246 G HN 0.681 nan 8.290 nan 0.000 0.550 247 E N 0.707 120.864 120.200 -0.071 0.000 2.209 247 E HA 0.008 4.354 4.350 -0.007 0.000 0.196 247 E C 2.465 178.953 176.600 -0.187 0.000 0.993 247 E CA 1.114 57.396 56.400 -0.196 0.000 0.819 247 E CB -0.424 29.223 29.700 -0.089 0.000 0.745 247 E HN 0.325 nan 8.360 nan 0.000 0.477 248 A N 1.370 124.210 122.820 0.033 0.000 1.940 248 A HA -0.146 4.169 4.320 -0.007 0.000 0.219 248 A C 2.492 180.169 177.584 0.154 0.000 1.176 248 A CA 1.660 53.814 52.037 0.195 0.000 0.631 248 A CB -0.758 18.363 19.000 0.202 0.000 0.814 248 A HN 0.224 nan 8.150 nan 0.000 0.446 249 V N -0.583 119.360 119.914 0.047 0.000 2.307 249 V HA -0.202 3.913 4.120 -0.007 0.000 0.245 249 V C 2.722 178.827 176.094 0.019 0.000 1.045 249 V CA 2.377 64.708 62.300 0.051 0.000 1.024 249 V CB -1.269 30.580 31.823 0.044 0.000 0.651 249 V HN 0.598 nan 8.190 nan 0.000 0.449 250 T N -0.618 113.877 114.554 -0.099 0.000 2.665 250 T HA -0.229 4.116 4.350 -0.007 0.000 0.268 250 T C 1.791 176.419 174.700 -0.119 0.000 1.035 250 T CA 2.000 64.004 62.100 -0.161 0.000 1.151 250 T CB -0.367 68.300 68.868 -0.334 0.000 0.862 250 T HN 0.575 nan 8.240 nan 0.000 0.438 251 H N 0.262 119.376 119.070 0.073 0.000 2.403 251 H HA 0.136 4.687 4.556 -0.007 0.000 0.298 251 H C 2.369 177.765 175.328 0.112 0.000 1.059 251 H CA 1.038 57.120 56.048 0.057 0.000 1.363 251 H CB -0.682 29.092 29.762 0.020 0.000 1.410 251 H HN 0.356 nan 8.280 nan 0.000 0.528 252 N N 0.617 119.488 118.700 0.287 0.000 2.120 252 N HA -0.122 4.614 4.740 -0.007 0.000 0.188 252 N C 1.825 177.434 175.510 0.165 0.000 1.024 252 N CA 1.198 54.401 53.050 0.256 0.000 0.852 252 N CB 0.086 38.669 38.487 0.159 0.000 1.003 252 N HN -0.053 nan 8.380 nan 0.000 0.424 253 V N -0.006 119.983 119.914 0.124 0.000 2.626 253 V HA -0.050 4.065 4.120 -0.007 0.000 0.252 253 V C 2.284 178.434 176.094 0.094 0.000 1.067 253 V CA 1.720 64.079 62.300 0.099 0.000 1.081 253 V CB -1.074 30.798 31.823 0.081 0.000 0.686 253 V HN 0.500 nan 8.190 nan 0.000 0.468 254 G N -0.802 108.052 108.800 0.090 0.000 2.442 254 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.219 254 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.219 254 G C 1.498 176.451 174.900 0.088 0.000 1.141 254 G CA 0.656 45.791 45.100 0.058 0.000 0.763 254 G HN 0.531 nan 8.290 nan 0.000 0.554 255 Q N -0.530 119.357 119.800 0.145 0.000 2.049 255 Q HA 0.042 4.378 4.340 -0.007 0.000 0.198 255 Q C 2.739 178.902 176.000 0.272 0.000 0.971 255 Q CA 0.899 56.851 55.803 0.249 0.000 0.833 255 Q CB -0.239 28.676 28.738 0.295 0.000 0.896 255 Q HN 0.470 nan 8.270 nan 0.000 0.434 256 M N 0.585 120.301 119.600 0.193 0.000 2.082 256 M HA -0.241 4.235 4.480 -0.007 0.000 0.258 256 M C 2.287 178.662 176.300 0.125 0.000 1.071 256 M CA 1.689 57.077 55.300 0.147 0.000 1.103 256 M CB -0.530 32.132 32.600 0.102 0.000 1.307 256 M HN 0.216 nan 8.290 nan 0.000 0.409 257 L N -1.588 119.698 121.223 0.105 0.000 2.046 257 L HA -0.247 4.089 4.340 -0.007 0.000 0.208 257 L C 2.573 179.497 176.870 0.089 0.000 1.077 257 L CA 1.480 56.362 54.840 0.069 0.000 0.747 257 L CB -1.018 41.068 42.059 0.045 0.000 0.896 257 L HN 0.287 nan 8.230 nan 0.000 0.432 258 Y N 0.897 121.225 120.300 0.046 0.000 2.207 258 Y HA -0.259 4.286 4.550 -0.008 0.000 0.287 258 Y C 2.338 178.303 175.900 0.107 0.000 1.156 258 Y CA 1.546 59.692 58.100 0.078 0.000 1.182 258 Y CB -0.103 38.428 38.460 0.118 0.000 0.979 258 Y HN 0.026 nan 8.280 nan 0.000 0.521 259 L N -1.162 120.203 121.223 0.236 0.000 2.109 259 L HA -0.199 4.136 4.340 -0.007 0.000 0.207 259 L C 2.121 178.974 176.870 -0.029 0.000 1.086 259 L CA 0.521 55.427 54.840 0.110 0.000 0.760 259 L CB -0.526 41.600 42.059 0.111 0.000 0.910 259 L HN 0.243 nan 8.230 nan 0.000 0.437 260 L N -0.508 120.704 121.223 -0.017 0.000 2.093 260 L HA -0.148 4.188 4.340 -0.007 0.000 0.208 260 L C 2.220 179.046 176.870 -0.072 0.000 1.085 260 L CA 1.630 56.445 54.840 -0.041 0.000 0.755 260 L CB -0.569 41.477 42.059 -0.021 0.000 0.904 260 L HN 0.169 nan 8.230 nan 0.000 0.435 261 L N -1.138 120.022 121.223 -0.104 0.000 2.478 261 L HA -0.038 4.298 4.340 -0.007 0.000 0.223 261 L C 1.580 178.339 176.870 -0.186 0.000 1.140 261 L CA 1.134 55.897 54.840 -0.129 0.000 0.842 261 L CB -0.609 41.374 42.059 -0.127 0.000 0.953 261 L HN 0.436 nan 8.230 nan 0.000 0.452 262 T N -4.304 110.105 114.554 -0.241 0.000 3.043 262 T HA 0.229 4.574 4.350 -0.007 0.000 0.272 262 T C 0.672 175.303 174.700 -0.115 0.000 0.990 262 T CA -0.444 61.524 62.100 -0.221 0.000 0.897 262 T CB 0.245 68.890 68.868 -0.371 0.000 1.111 262 T HN 0.140 nan 8.240 nan 0.000 0.529 263 R N 1.044 121.486 120.500 -0.096 0.000 2.721 263 R HA 0.436 4.772 4.340 -0.007 0.000 0.272 263 R C 0.822 177.085 176.300 -0.062 0.000 1.721 263 R CA -0.725 55.332 56.100 -0.072 0.000 1.325 263 R CB 0.860 31.109 30.300 -0.084 0.000 1.271 263 R HN -0.020 nan 8.270 nan 0.000 0.556 264 R N 1.793 122.264 120.500 -0.048 0.000 2.140 264 R HA -0.250 4.086 4.340 -0.007 0.000 0.250 264 R C 1.718 177.997 176.300 -0.035 0.000 1.150 264 R CA 2.278 58.356 56.100 -0.037 0.000 0.966 264 R CB 0.120 30.404 30.300 -0.026 0.000 0.869 264 R HN 0.618 nan 8.270 nan 0.000 0.445 265 E N 1.151 121.329 120.200 -0.038 0.000 2.070 265 E HA -0.220 4.125 4.350 -0.007 0.000 0.197 265 E C 2.212 178.788 176.600 -0.041 0.000 1.004 265 E CA 1.326 57.704 56.400 -0.036 0.000 0.805 265 E CB -0.818 28.857 29.700 -0.041 0.000 0.744 265 E HN 0.382 nan 8.360 nan 0.000 0.451 266 L N -0.141 121.049 121.223 -0.055 0.000 2.012 266 L HA -0.176 4.159 4.340 -0.007 0.000 0.210 266 L C 2.953 179.799 176.870 -0.040 0.000 1.073 266 L CA 1.649 56.455 54.840 -0.057 0.000 0.748 266 L CB -0.592 41.421 42.059 -0.078 0.000 0.891 266 L HN 0.153 nan 8.230 nan 0.000 0.431 267 M N 0.498 120.075 119.600 -0.039 0.000 2.080 267 M HA -0.185 4.291 4.480 -0.007 0.000 0.260 267 M C 2.319 178.605 176.300 -0.023 0.000 1.068 267 M CA 2.197 57.479 55.300 -0.031 0.000 1.109 267 M CB -0.578 32.002 32.600 -0.033 0.000 1.342 267 M HN 0.190 nan 8.290 nan 0.000 0.405 268 A N -0.377 122.431 122.820 -0.020 0.000 1.908 268 A HA -0.198 4.117 4.320 -0.007 0.000 0.218 268 A C 2.196 179.773 177.584 -0.012 0.000 1.181 268 A CA 2.099 54.129 52.037 -0.013 0.000 0.627 268 A CB -0.636 18.358 19.000 -0.011 0.000 0.818 268 A HN 0.511 nan 8.150 nan 0.000 0.445 269 R N -1.541 118.949 120.500 -0.016 0.000 2.080 269 R HA -0.127 4.208 4.340 -0.007 0.000 0.236 269 R C 2.166 178.461 176.300 -0.009 0.000 1.137 269 R CA 2.050 58.143 56.100 -0.012 0.000 0.943 269 R CB -0.633 29.657 30.300 -0.017 0.000 0.846 269 R HN 0.569 nan 8.270 nan 0.000 0.431 270 M N 0.144 119.737 119.600 -0.012 0.000 2.117 270 M HA -0.098 4.378 4.480 -0.007 0.000 0.262 270 M C 1.823 178.118 176.300 -0.009 0.000 1.065 270 M CA 1.711 57.006 55.300 -0.009 0.000 1.114 270 M CB -0.014 32.579 32.600 -0.011 0.000 1.361 270 M HN -0.031 nan 8.290 nan 0.000 0.408 271 R N -0.413 120.080 120.500 -0.011 0.000 2.115 271 R HA -0.098 4.237 4.340 -0.007 0.000 0.230 271 R C 1.679 177.976 176.300 -0.005 0.000 1.111 271 R CA 1.532 57.626 56.100 -0.010 0.000 0.976 271 R CB -0.230 30.064 30.300 -0.010 0.000 0.870 271 R HN 0.553 nan 8.270 nan 0.000 0.445 272 E N 0.415 120.613 120.200 -0.003 0.000 2.435 272 E HA -0.094 4.252 4.350 -0.007 0.000 0.195 272 E C 0.424 177.025 176.600 0.001 0.000 1.029 272 E CA 0.398 56.798 56.400 -0.000 0.000 0.865 272 E CB 0.207 29.907 29.700 0.000 0.000 0.833 272 E HN 0.302 nan 8.360 nan 0.000 0.510 273 R N 0.677 121.177 120.500 0.001 0.000 3.220 273 R HA 0.312 4.648 4.340 -0.007 0.000 0.324 273 R C -2.835 173.467 176.300 0.003 0.000 1.283 273 R CA -1.764 54.338 56.100 0.004 0.000 1.387 273 R CB -0.016 30.288 30.300 0.006 0.000 1.413 273 R HN -0.154 nan 8.270 nan 0.000 0.610 274 P HA 0.096 nan 4.420 nan 0.000 0.269 274 P C 0.800 178.102 177.300 0.003 0.000 1.209 274 P CA 1.013 64.113 63.100 -0.000 0.000 0.776 274 P CB 1.014 32.712 31.700 -0.003 0.000 0.876 275 G N 1.517 110.320 108.800 0.004 0.000 2.189 275 G HA2 -0.205 3.750 3.960 -0.007 0.000 0.267 275 G HA3 -0.205 3.750 3.960 -0.007 0.000 0.267 275 G C 0.505 175.413 174.900 0.012 0.000 0.975 275 G CA 0.263 45.368 45.100 0.008 0.000 0.644 275 G HN 0.877 nan 8.290 nan 0.000 0.537 276 A N -0.558 122.270 122.820 0.013 0.000 2.843 276 A HA 0.652 4.968 4.320 -0.007 0.000 0.248 276 A C 1.071 178.667 177.584 0.020 0.000 0.904 276 A CA 0.372 52.419 52.037 0.018 0.000 1.091 276 A CB 0.261 19.270 19.000 0.015 0.000 1.208 276 A HN 0.304 nan 8.150 nan 0.000 0.476 277 R N -0.276 120.237 120.500 0.022 0.000 2.317 277 R HA 0.113 4.449 4.340 -0.007 0.000 0.208 277 R C 2.052 178.374 176.300 0.038 0.000 0.914 277 R CA 0.561 56.675 56.100 0.025 0.000 1.060 277 R CB 0.275 30.586 30.300 0.019 0.000 1.015 277 R HN 0.547 nan 8.270 nan 0.000 0.498 278 G N 1.412 110.237 108.800 0.042 0.000 2.586 278 G HA2 -0.386 3.570 3.960 -0.007 0.000 0.218 278 G HA3 -0.386 3.570 3.960 -0.007 0.000 0.218 278 G C 1.576 176.520 174.900 0.072 0.000 1.216 278 G CA 1.825 46.959 45.100 0.058 0.000 0.786 278 G HN 0.423 nan 8.290 nan 0.000 0.583 279 T N -0.828 113.766 114.554 0.067 0.000 2.881 279 T HA 0.213 4.558 4.350 -0.007 0.000 0.270 279 T C 2.465 177.207 174.700 0.070 0.000 1.068 279 T CA 1.839 63.986 62.100 0.079 0.000 1.131 279 T CB -0.287 68.622 68.868 0.068 0.000 0.871 279 T HN 0.443 nan 8.240 nan 0.000 0.479 280 A N 1.345 124.195 122.820 0.051 0.000 1.929 280 A HA 0.288 4.604 4.320 -0.007 0.000 0.216 280 A C 2.423 180.033 177.584 0.043 0.000 1.176 280 A CA 0.942 53.001 52.037 0.036 0.000 0.628 280 A CB -0.721 18.291 19.000 0.021 0.000 0.816 280 A HN 0.543 nan 8.150 nan 0.000 0.444 281 L N -0.584 120.673 121.223 0.057 0.000 2.141 281 L HA -0.140 4.195 4.340 -0.007 0.000 0.209 281 L C 1.864 178.778 176.870 0.073 0.000 1.094 281 L CA 1.169 56.048 54.840 0.065 0.000 0.763 281 L CB -0.493 41.612 42.059 0.077 0.000 0.908 281 L HN 0.336 nan 8.230 nan 0.000 0.437 282 D N -0.200 120.263 120.400 0.105 0.000 2.178 282 D HA -0.196 4.440 4.640 -0.007 0.000 0.202 282 D C 2.002 178.318 176.300 0.027 0.000 0.974 282 D CA 1.005 55.087 54.000 0.136 0.000 0.841 282 D CB 0.186 41.148 40.800 0.269 0.000 0.953 282 D HN 0.260 nan 8.370 nan 0.000 0.478 283 E N 0.827 121.059 120.200 0.054 0.000 2.150 283 E HA -0.090 4.256 4.350 -0.007 0.000 0.193 283 E C 2.205 178.826 176.600 0.034 0.000 0.985 283 E CA 0.584 57.008 56.400 0.039 0.000 0.814 283 E CB -0.274 29.451 29.700 0.042 0.000 0.752 283 E HN 0.237 nan 8.360 nan 0.000 0.466 284 L N -0.140 121.102 121.223 0.032 0.000 2.056 284 L HA -0.119 4.216 4.340 -0.007 0.000 0.207 284 L C 2.498 179.401 176.870 0.055 0.000 1.078 284 L CA 0.844 55.730 54.840 0.076 0.000 0.749 284 L CB -0.412 41.686 42.059 0.065 0.000 0.901 284 L HN 0.222 nan 8.230 nan 0.000 0.433 285 L N -0.394 120.782 121.223 -0.080 0.000 2.042 285 L HA -0.247 4.089 4.340 -0.007 0.000 0.210 285 L C 2.880 179.570 176.870 -0.300 0.000 1.076 285 L CA 1.309 56.010 54.840 -0.231 0.000 0.749 285 L CB -0.485 41.339 42.059 -0.391 0.000 0.893 285 L HN 0.291 nan 8.230 nan 0.000 0.432 286 R N -0.701 119.592 120.500 -0.345 0.000 2.073 286 R HA -0.239 4.096 4.340 -0.007 0.000 0.234 286 R C 2.253 178.520 176.300 -0.055 0.000 1.134 286 R CA 1.977 57.932 56.100 -0.242 0.000 0.952 286 R CB -0.424 29.734 30.300 -0.237 0.000 0.850 286 R HN 0.373 nan 8.270 nan 0.000 0.433 287 W N 1.226 122.457 121.300 -0.116 0.000 2.409 287 W HA 0.125 4.780 4.660 -0.008 0.000 0.299 287 W C 0.212 176.762 176.519 0.052 0.000 1.203 287 W CA 0.474 57.804 57.345 -0.026 0.000 1.298 287 W CB 0.042 29.494 29.460 -0.013 0.000 1.127 287 W HN -0.100 nan 8.180 nan 0.000 0.528 288 I N 2.491 123.233 120.570 0.288 0.000 2.741 288 I HA -0.139 4.027 4.170 -0.007 0.000 0.288 288 I C 0.528 176.665 176.117 0.033 0.000 1.192 288 I CA 0.536 61.954 61.300 0.197 0.000 1.426 288 I CB 0.244 38.387 38.000 0.238 0.000 1.367 288 I HN -0.204 nan 8.210 nan 0.000 0.563 289 S N 5.685 121.358 115.700 -0.045 0.000 2.701 289 S HA 0.026 4.491 4.470 -0.007 0.000 0.317 289 S C 0.959 175.564 174.600 0.007 0.000 1.149 289 S CA -0.389 57.760 58.200 -0.084 0.000 1.052 289 S CB -0.116 62.936 63.200 -0.247 0.000 1.257 289 S HN 0.567 nan 8.310 nan 0.000 0.532 290 H N 4.062 123.101 119.070 -0.051 0.000 2.387 290 H HA -0.023 4.529 4.556 -0.008 0.000 0.299 290 H C 0.995 176.303 175.328 -0.033 0.000 1.090 290 H CA 1.636 57.667 56.048 -0.028 0.000 1.332 290 H CB 0.331 30.060 29.762 -0.055 0.000 1.386 290 H HN 0.646 nan 8.280 nan 0.000 0.516 291 R N -1.278 119.138 120.500 -0.140 0.000 2.939 291 R HA 0.432 4.768 4.340 -0.007 0.000 0.254 291 R C -0.697 175.490 176.300 -0.189 0.000 1.123 291 R CA -0.625 55.349 56.100 -0.211 0.000 1.020 291 R CB 0.981 31.201 30.300 -0.133 0.000 1.206 291 R HN 0.049 nan 8.270 nan 0.000 0.491 292 T N 0.009 114.434 114.554 -0.215 0.000 2.875 292 T HA 0.332 4.677 4.350 -0.007 0.000 0.284 292 T C 0.381 174.863 174.700 -0.362 0.000 0.995 292 T CA 0.715 62.660 62.100 -0.258 0.000 1.060 292 T CB 0.768 69.491 68.868 -0.241 0.000 0.967 292 T HN 0.892 nan 8.240 nan 0.000 0.476 293 S N 1.698 117.081 115.700 -0.530 0.000 3.236 293 S HA -0.198 4.268 4.470 -0.007 0.000 0.629 293 S C 0.004 174.261 174.600 -0.571 0.000 2.873 293 S CA 1.034 58.626 58.200 -1.013 0.000 3.603 293 S CB -1.628 60.879 63.200 -1.155 0.000 0.287 293 S HN 2.024 nan 8.310 nan 0.000 1.458 294 V N -1.144 118.396 119.914 -0.625 0.000 2.960 294 V HA 0.944 5.059 4.120 -0.007 0.000 0.315 294 V C 1.072 176.975 176.094 -0.318 0.000 1.087 294 V CA 0.281 62.382 62.300 -0.333 0.000 0.982 294 V CB 1.273 32.928 31.823 -0.280 0.000 1.039 294 V HN 1.472 nan 8.190 nan 0.000 0.437 295 G N 1.145 109.922 108.800 -0.038 0.000 2.639 295 G HA2 0.307 4.263 3.960 -0.007 0.000 0.201 295 G HA3 0.307 4.263 3.960 -0.007 0.000 0.201 295 G C 0.087 175.148 174.900 0.268 0.000 1.260 295 G CA -0.394 44.752 45.100 0.076 0.000 0.749 295 G HN 0.620 nan 8.290 nan 0.000 0.611 296 L N 2.437 123.749 121.223 0.149 0.000 2.287 296 L HA 0.676 5.012 4.340 -0.007 0.000 0.280 296 L C 0.588 177.419 176.870 -0.065 0.000 1.055 296 L CA -0.719 54.136 54.840 0.027 0.000 0.863 296 L CB 1.321 43.294 42.059 -0.142 0.000 1.245 296 L HN 0.258 nan 8.230 nan 0.000 0.432 297 A N 4.460 127.104 122.820 -0.295 0.000 2.313 297 A HA 0.707 5.022 4.320 -0.007 0.000 0.261 297 A C 0.167 177.608 177.584 -0.239 0.000 1.090 297 A CA -0.288 51.411 52.037 -0.564 0.000 0.807 297 A CB 0.527 18.757 19.000 -1.284 0.000 1.055 297 A HN 0.735 nan 8.150 nan 0.000 0.492 298 R N -0.259 120.134 120.500 -0.179 0.000 2.854 298 R HA 0.578 4.913 4.340 -0.007 0.000 0.271 298 R C -1.116 175.226 176.300 0.069 0.000 0.996 298 R CA -0.861 55.237 56.100 -0.002 0.000 0.961 298 R CB 1.434 31.764 30.300 0.050 0.000 1.182 298 R HN 0.527 nan 8.270 nan 0.000 0.479 299 I N 1.636 122.294 120.570 0.147 0.000 2.392 299 I HA 0.273 4.438 4.170 -0.007 0.000 0.295 299 I C 0.374 176.629 176.117 0.231 0.000 0.985 299 I CA -0.791 60.594 61.300 0.142 0.000 1.221 299 I CB 1.485 39.524 38.000 0.065 0.000 1.366 299 I HN 0.720 nan 8.210 nan 0.000 0.467 300 A N 6.933 129.883 122.820 0.217 0.000 2.491 300 A HA 0.321 4.637 4.320 -0.007 0.000 0.261 300 A C 1.031 178.555 177.584 -0.100 0.000 1.101 300 A CA -0.047 51.985 52.037 -0.008 0.000 0.772 300 A CB 0.130 19.175 19.000 0.076 0.000 1.043 300 A HN 0.826 nan 8.150 nan 0.000 0.501 301 L N 1.584 122.676 121.223 -0.218 0.000 2.202 301 L HA 0.059 4.395 4.340 -0.007 0.000 0.205 301 L C 1.503 178.303 176.870 -0.116 0.000 1.083 301 L CA 1.292 56.059 54.840 -0.122 0.000 0.790 301 L CB -0.053 41.948 42.059 -0.097 0.000 0.942 301 L HN 0.961 nan 8.230 nan 0.000 0.452 302 E N -0.856 119.241 120.200 -0.172 0.000 3.858 302 E HA 0.094 4.440 4.350 -0.007 0.000 0.208 302 E C -0.925 175.612 176.600 -0.106 0.000 1.041 302 E CA -0.486 55.846 56.400 -0.114 0.000 1.368 302 E CB 0.194 29.834 29.700 -0.099 0.000 1.176 302 E HN 0.010 nan 8.360 nan 0.000 0.448 303 D N 0.884 121.228 120.400 -0.093 0.000 4.597 303 D HA -0.148 4.487 4.640 -0.007 0.000 0.234 303 D C -0.903 175.355 176.300 -0.070 0.000 1.052 303 D CA 0.777 54.746 54.000 -0.051 0.000 1.265 303 D CB 0.137 40.927 40.800 -0.017 0.000 0.738 303 D HN 0.227 nan 8.370 nan 0.000 0.372 304 V N 3.121 122.997 119.914 -0.062 0.000 3.102 304 V HA 0.575 4.690 4.120 -0.007 0.000 0.312 304 V C 0.097 176.190 176.094 -0.001 0.000 1.135 304 V CA -0.704 61.572 62.300 -0.039 0.000 1.022 304 V CB 2.233 34.018 31.823 -0.063 0.000 1.056 304 V HN 0.500 nan 8.190 nan 0.000 0.436 305 E N 0.934 121.138 120.200 0.007 0.000 2.191 305 E HA 0.726 5.072 4.350 -0.007 0.000 0.263 305 E C -1.828 174.780 176.600 0.013 0.000 0.881 305 E CA -0.642 55.752 56.400 -0.011 0.000 0.757 305 E CB 2.152 31.846 29.700 -0.010 0.000 1.147 305 E HN 0.283 nan 8.360 nan 0.000 0.414 306 V N 4.258 124.163 119.914 -0.015 0.000 2.444 306 V HA 0.204 4.320 4.120 -0.007 0.000 0.294 306 V C 0.273 176.408 176.094 0.068 0.000 1.022 306 V CA -0.563 61.751 62.300 0.023 0.000 0.850 306 V CB 0.771 32.598 31.823 0.007 0.000 0.992 306 V HN 1.067 nan 8.190 nan 0.000 0.426 307 H N 3.963 123.011 119.070 -0.036 0.000 2.655 307 H HA -0.273 4.279 4.556 -0.006 0.000 0.313 307 H C 1.419 176.721 175.328 -0.044 0.000 1.141 307 H CA 0.725 56.754 56.048 -0.032 0.000 1.138 307 H CB -0.592 29.151 29.762 -0.031 0.000 1.446 307 H HN 1.364 nan 8.280 nan 0.000 0.415 308 G N -0.939 107.900 108.800 0.065 0.000 2.383 308 G HA2 -0.318 3.637 3.960 -0.007 0.000 0.229 308 G HA3 -0.318 3.637 3.960 -0.007 0.000 0.229 308 G C 0.388 175.254 174.900 -0.057 0.000 1.089 308 G CA 0.320 45.414 45.100 -0.010 0.000 0.640 308 G HN 0.570 nan 8.290 nan 0.000 0.510 309 T N 1.747 116.239 114.554 -0.103 0.000 2.869 309 T HA 0.550 4.895 4.350 -0.007 0.000 0.295 309 T C 0.301 174.881 174.700 -0.200 0.000 0.987 309 T CA -0.006 61.980 62.100 -0.189 0.000 1.109 309 T CB 1.522 70.189 68.868 -0.335 0.000 0.932 309 T HN 0.478 nan 8.240 nan 0.000 0.518 310 R N 3.271 123.672 120.500 -0.165 0.000 2.202 310 R HA 0.454 4.789 4.340 -0.007 0.000 0.334 310 R C -0.737 175.482 176.300 -0.135 0.000 1.036 310 R CA -0.636 55.402 56.100 -0.103 0.000 0.878 310 R CB -0.076 30.211 30.300 -0.022 0.000 1.067 310 R HN 0.692 nan 8.270 nan 0.000 0.457 311 I N 3.790 124.284 120.570 -0.126 0.000 2.330 311 I HA 0.467 4.632 4.170 -0.007 0.000 0.289 311 I C -0.378 175.813 176.117 0.123 0.000 1.001 311 I CA -0.548 60.726 61.300 -0.043 0.000 1.193 311 I CB 1.218 39.139 38.000 -0.132 0.000 1.345 311 I HN 0.841 nan 8.210 nan 0.000 0.461 312 A N 6.272 129.233 122.820 0.234 0.000 2.477 312 A HA 0.556 4.872 4.320 -0.007 0.000 0.246 312 A C 0.632 178.297 177.584 0.135 0.000 1.078 312 A CA 0.010 52.149 52.037 0.170 0.000 0.770 312 A CB 0.229 19.348 19.000 0.198 0.000 1.011 312 A HN 1.017 nan 8.150 nan 0.000 0.494 313 A N 1.641 124.499 122.820 0.063 0.000 2.566 313 A HA 0.464 4.780 4.320 -0.007 0.000 0.245 313 A C 1.614 179.224 177.584 0.044 0.000 1.056 313 A CA 0.936 52.989 52.037 0.027 0.000 0.757 313 A CB -0.716 18.280 19.000 -0.005 0.000 0.979 313 A HN 2.737 nan 8.150 nan 0.000 0.508 314 G N 1.757 110.581 108.800 0.040 0.000 2.232 314 G HA2 -0.175 3.781 3.960 -0.007 0.000 0.226 314 G HA3 -0.175 3.781 3.960 -0.007 0.000 0.226 314 G C -0.000 174.911 174.900 0.020 0.000 0.996 314 G CA 0.247 45.361 45.100 0.023 0.000 0.626 314 G HN 0.858 nan 8.290 nan 0.000 0.509 315 E N 2.529 122.780 120.200 0.085 0.000 2.331 315 E HA 0.437 4.783 4.350 -0.007 0.000 0.272 315 E C -2.322 174.345 176.600 0.112 0.000 1.036 315 E CA -1.673 54.766 56.400 0.064 0.000 0.864 315 E CB 1.594 31.454 29.700 0.268 0.000 1.035 315 E HN 0.262 nan 8.360 nan 0.000 0.408 316 P HA 0.078 nan 4.420 nan 0.000 0.282 316 P C -0.950 176.415 177.300 0.108 0.000 1.249 316 P CA -0.297 62.788 63.100 -0.025 0.000 0.806 316 P CB 1.240 32.833 31.700 -0.179 0.000 0.984 317 V N 4.878 124.815 119.914 0.039 0.000 2.482 317 V HA 0.395 4.511 4.120 -0.007 0.000 0.295 317 V C -1.409 174.643 176.094 -0.070 0.000 1.026 317 V CA -0.743 61.617 62.300 0.099 0.000 0.856 317 V CB 0.684 32.545 31.823 0.063 0.000 1.001 317 V HN 0.369 nan 8.190 nan 0.000 0.424 318 Y N 4.846 125.186 120.300 0.065 0.000 2.387 318 Y HA 0.721 5.266 4.550 -0.008 0.000 0.330 318 Y C 0.436 176.311 175.900 -0.041 0.000 1.133 318 Y CA -0.370 57.730 58.100 -0.000 0.000 1.152 318 Y CB 2.149 40.637 38.460 0.046 0.000 1.215 318 Y HN 0.657 nan 8.280 nan 0.000 0.466 319 V N -0.787 119.154 119.914 0.045 0.000 2.960 319 V HA 0.712 4.828 4.120 -0.007 0.000 0.315 319 V C -0.608 175.383 176.094 -0.171 0.000 1.087 319 V CA -0.884 61.340 62.300 -0.126 0.000 0.982 319 V CB 1.829 33.454 31.823 -0.330 0.000 1.039 319 V HN 0.647 nan 8.190 nan 0.000 0.437 320 S N 0.946 116.554 115.700 -0.154 0.000 2.667 320 S HA 0.520 4.985 4.470 -0.007 0.000 0.304 320 S C 0.091 174.653 174.600 -0.063 0.000 1.135 320 S CA -0.539 57.620 58.200 -0.068 0.000 1.125 320 S CB 0.316 63.571 63.200 0.092 0.000 0.996 320 S HN 0.714 nan 8.310 nan 0.000 0.474 321 Y N 3.709 124.055 120.300 0.076 0.000 2.352 321 Y HA -0.077 4.469 4.550 -0.007 0.000 0.292 321 Y C 1.930 177.891 175.900 0.103 0.000 1.136 321 Y CA 0.928 59.071 58.100 0.072 0.000 1.227 321 Y CB -0.086 38.399 38.460 0.042 0.000 0.991 321 Y HN 0.585 nan 8.280 nan 0.000 0.545 322 L N -0.809 120.557 121.223 0.237 0.000 2.056 322 L HA -0.200 4.135 4.340 -0.007 0.000 0.207 322 L C 2.699 179.763 176.870 0.324 0.000 1.078 322 L CA 1.158 56.133 54.840 0.226 0.000 0.749 322 L CB -0.987 41.143 42.059 0.119 0.000 0.901 322 L HN 0.228 nan 8.230 nan 0.000 0.433 323 A N 0.243 123.246 122.820 0.304 0.000 1.897 323 A HA -0.048 4.267 4.320 -0.007 0.000 0.215 323 A C 2.572 180.284 177.584 0.212 0.000 1.181 323 A CA 1.444 53.651 52.037 0.283 0.000 0.620 323 A CB -0.591 18.537 19.000 0.212 0.000 0.821 323 A HN 0.371 nan 8.150 nan 0.000 0.443 324 A N 0.410 123.364 122.820 0.223 0.000 1.940 324 A HA -0.214 4.101 4.320 -0.007 0.000 0.219 324 A C 1.827 179.694 177.584 0.472 0.000 1.176 324 A CA 1.847 54.064 52.037 0.300 0.000 0.631 324 A CB -0.639 18.495 19.000 0.223 0.000 0.814 324 A HN 0.511 nan 8.150 nan 0.000 0.446 325 N N -0.447 118.451 118.700 0.330 0.000 2.453 325 N HA -0.057 4.679 4.740 -0.007 0.000 0.183 325 N C 0.764 176.243 175.510 -0.051 0.000 1.041 325 N CA 0.598 53.730 53.050 0.138 0.000 0.900 325 N CB -0.083 38.415 38.487 0.019 0.000 0.961 325 N HN 0.295 nan 8.380 nan 0.000 0.443 326 R N 0.671 121.226 120.500 0.090 0.000 2.633 326 R HA 0.115 4.450 4.340 -0.007 0.000 0.348 326 R C -0.357 176.032 176.300 0.148 0.000 1.100 326 R CA -0.250 55.856 56.100 0.009 0.000 1.068 326 R CB -0.429 29.711 30.300 -0.267 0.000 1.351 326 R HN 0.126 nan 8.270 nan 0.000 0.575 327 D N 2.296 122.909 120.400 0.355 0.000 2.342 327 D HA 0.051 4.686 4.640 -0.007 0.000 0.260 327 D C -1.569 174.832 176.300 0.168 0.000 1.278 327 D CA -1.792 52.358 54.000 0.249 0.000 0.910 327 D CB 1.600 42.570 40.800 0.284 0.000 1.079 327 D HN -0.052 nan 8.370 nan 0.000 0.496 328 P HA -0.145 nan 4.420 nan 0.000 0.217 328 P C 0.504 177.808 177.300 0.007 0.000 1.151 328 P CA 1.063 64.196 63.100 0.054 0.000 0.849 328 P CB 0.298 32.016 31.700 0.029 0.000 0.787 329 D N -2.104 118.286 120.400 -0.016 0.000 2.371 329 D HA -0.047 4.588 4.640 -0.007 0.000 0.221 329 D C 1.414 177.607 176.300 -0.179 0.000 0.986 329 D CA 0.665 54.625 54.000 -0.068 0.000 0.899 329 D CB -0.039 40.736 40.800 -0.043 0.000 0.902 329 D HN 0.072 nan 8.370 nan 0.000 0.530 330 V N -1.196 118.550 119.914 -0.280 0.000 3.473 330 V HA 0.205 4.321 4.120 -0.007 0.000 0.253 330 V C -0.129 175.471 176.094 -0.824 0.000 1.340 330 V CA 0.102 62.000 62.300 -0.671 0.000 1.103 330 V CB 0.445 31.610 31.823 -1.098 0.000 0.881 330 V HN -0.017 nan 8.190 nan 0.000 0.451 331 F N 1.362 121.286 119.950 -0.044 0.000 2.686 331 F HA 0.516 5.038 4.527 -0.009 0.000 0.365 331 F C -2.661 173.142 175.800 0.006 0.000 1.196 331 F CA -2.346 55.652 58.000 -0.003 0.000 1.198 331 F CB 0.678 39.699 39.000 0.035 0.000 1.454 331 F HN -0.035 nan 8.300 nan 0.000 0.539 332 P HA -0.109 nan 4.420 nan 0.000 0.263 332 P C 0.154 177.511 177.300 0.096 0.000 1.168 332 P CA 0.848 63.991 63.100 0.072 0.000 0.759 332 P CB 0.413 32.136 31.700 0.039 0.000 0.782 333 D N 3.127 123.570 120.400 0.071 0.000 2.697 333 D HA -0.141 4.495 4.640 -0.007 0.000 0.238 333 D C -1.014 175.345 176.300 0.098 0.000 1.152 333 D CA 0.381 54.422 54.000 0.069 0.000 0.666 333 D CB -0.464 40.371 40.800 0.059 0.000 1.037 333 D HN 0.285 nan 8.370 nan 0.000 0.423 334 P HA -0.190 nan 4.420 nan 0.000 0.217 334 P C 0.749 178.113 177.300 0.106 0.000 1.151 334 P CA 1.289 64.455 63.100 0.109 0.000 0.849 334 P CB 0.171 31.911 31.700 0.066 0.000 0.787 335 D N -1.035 119.425 120.400 0.101 0.000 2.340 335 D HA 0.001 4.637 4.640 -0.007 0.000 0.220 335 D C 1.099 177.603 176.300 0.341 0.000 1.039 335 D CA 0.246 54.380 54.000 0.223 0.000 0.866 335 D CB -0.209 40.664 40.800 0.120 0.000 0.913 335 D HN 0.286 nan 8.370 nan 0.000 0.523 336 R N 1.362 121.974 120.500 0.187 0.000 2.254 336 R HA 0.322 4.658 4.340 -0.007 0.000 0.318 336 R C -0.161 176.145 176.300 0.010 0.000 1.031 336 R CA -0.464 55.682 56.100 0.076 0.000 0.905 336 R CB 0.552 30.880 30.300 0.046 0.000 1.050 336 R HN -0.138 nan 8.270 nan 0.000 0.456 337 I N 5.328 125.776 120.570 -0.203 0.000 2.389 337 I HA -0.047 4.119 4.170 -0.007 0.000 0.295 337 I C 0.725 176.770 176.117 -0.121 0.000 1.117 337 I CA 0.087 61.220 61.300 -0.278 0.000 1.317 337 I CB 0.702 38.382 38.000 -0.534 0.000 1.431 337 I HN 0.788 nan 8.210 nan 0.000 0.521 338 D N 6.687 127.065 120.400 -0.036 0.000 2.214 338 D HA 0.088 4.723 4.640 -0.007 0.000 0.217 338 D C 0.896 177.192 176.300 -0.007 0.000 0.973 338 D CA 0.922 54.917 54.000 -0.008 0.000 0.880 338 D CB 0.469 41.288 40.800 0.031 0.000 1.031 338 D HN 0.391 nan 8.370 nan 0.000 0.468 339 L N -1.467 119.763 121.223 0.011 0.000 1.391 339 L HA -0.278 4.057 4.340 -0.007 0.000 0.353 339 L C 0.140 177.030 176.870 0.033 0.000 1.002 339 L CA 0.351 55.203 54.840 0.019 0.000 1.220 339 L CB -0.985 41.074 42.059 -0.001 0.000 0.457 339 L HN 0.123 nan 8.230 nan 0.000 0.212 340 D N -1.601 118.820 120.400 0.035 0.000 2.729 340 D HA -0.205 4.431 4.640 -0.007 0.000 0.190 340 D C 0.701 177.033 176.300 0.053 0.000 1.089 340 D CA 2.052 56.075 54.000 0.038 0.000 1.041 340 D CB -0.480 40.337 40.800 0.027 0.000 1.112 340 D HN 0.480 nan 8.370 nan 0.000 0.413 341 R N 2.104 122.645 120.500 0.069 0.000 2.478 341 R HA -0.044 4.292 4.340 -0.007 0.000 0.281 341 R C 1.370 177.726 176.300 0.094 0.000 0.939 341 R CA 0.982 57.138 56.100 0.094 0.000 1.120 341 R CB 0.376 30.756 30.300 0.134 0.000 0.885 341 R HN 0.404 nan 8.270 nan 0.000 0.415 342 D N 5.016 125.466 120.400 0.084 0.000 1.984 342 D HA -0.088 4.548 4.640 -0.007 0.000 0.251 342 D C -1.279 175.073 176.300 0.086 0.000 1.191 342 D CA -0.547 53.493 54.000 0.066 0.000 0.951 342 D CB -0.705 40.121 40.800 0.044 0.000 1.290 342 D HN 0.176 nan 8.370 nan 0.000 0.517 343 P HA -0.241 nan 4.420 nan 0.000 0.222 343 P C 0.204 177.587 177.300 0.138 0.000 1.155 343 P CA 2.231 65.376 63.100 0.075 0.000 0.890 343 P CB -0.378 31.343 31.700 0.035 0.000 0.790 344 N N -1.948 116.873 118.700 0.202 0.000 2.642 344 N HA -0.123 4.613 4.740 -0.007 0.000 0.269 344 N C -2.102 173.647 175.510 0.398 0.000 1.073 344 N CA 0.364 53.653 53.050 0.398 0.000 0.748 344 N CB -0.901 37.784 38.487 0.329 0.000 0.894 344 N HN 0.185 nan 8.380 nan 0.000 0.548 345 P HA 0.052 nan 4.420 nan 0.000 0.226 345 P C -0.359 177.251 177.300 0.517 0.000 1.783 345 P CA -0.125 63.144 63.100 0.282 0.000 0.980 345 P CB -0.954 30.848 31.700 0.171 0.000 1.967 346 H N -0.356 118.999 119.070 0.475 0.000 2.690 346 H HA 0.229 4.780 4.556 -0.008 0.000 0.365 346 H C 0.228 175.740 175.328 0.307 0.000 1.142 346 H CA -0.645 55.629 56.048 0.377 0.000 1.417 346 H CB 0.541 30.368 29.762 0.109 0.000 1.446 346 H HN 0.063 nan 8.280 nan 0.000 0.599 347 L N 2.590 124.057 121.223 0.406 0.000 3.094 347 L HA 0.342 4.678 4.340 -0.007 0.000 0.254 347 L C 1.668 178.559 176.870 0.035 0.000 1.298 347 L CA 0.014 54.964 54.840 0.184 0.000 1.050 347 L CB -0.044 42.111 42.059 0.160 0.000 1.420 347 L HN 0.942 nan 8.230 nan 0.000 0.548 348 A N -0.583 122.383 122.820 0.243 0.000 2.076 348 A HA -0.161 4.155 4.320 -0.007 0.000 0.220 348 A C 1.375 178.642 177.584 -0.529 0.000 1.160 348 A CA 1.452 53.389 52.037 -0.168 0.000 0.653 348 A CB -0.434 18.369 19.000 -0.329 0.000 0.801 348 A HN 0.549 nan 8.150 nan 0.000 0.455 349 Y N -0.526 119.649 120.300 -0.208 0.000 2.607 349 Y HA 0.418 4.964 4.550 -0.007 0.000 0.266 349 Y C 1.545 177.026 175.900 -0.698 0.000 1.178 349 Y CA 0.050 57.849 58.100 -0.502 0.000 1.226 349 Y CB -0.099 37.958 38.460 -0.671 0.000 1.144 349 Y HN 0.510 nan 8.280 nan 0.000 0.528 350 G N 1.542 109.911 108.800 -0.719 0.000 2.645 350 G HA2 -0.276 3.680 3.960 -0.007 0.000 0.239 350 G HA3 -0.276 3.680 3.960 -0.007 0.000 0.239 350 G C -0.900 173.910 174.900 -0.150 0.000 1.331 350 G CA -0.026 44.518 45.100 -0.927 0.000 0.890 350 G HN 0.502 nan 8.290 nan 0.000 0.572 351 N N -1.234 117.517 118.700 0.085 0.000 3.046 351 N HA 0.704 5.440 4.740 -0.007 0.000 0.243 351 N C 0.263 175.871 175.510 0.164 0.000 1.452 351 N CA 1.753 54.942 53.050 0.232 0.000 0.882 351 N CB 1.127 39.695 38.487 0.134 0.000 1.425 351 N HN 2.706 nan 8.380 nan 0.000 0.517 352 G N 0.160 109.025 108.800 0.108 0.000 2.681 352 G HA2 -0.223 3.733 3.960 -0.007 0.000 0.220 352 G HA3 -0.223 3.733 3.960 -0.007 0.000 0.220 352 G C 0.628 175.551 174.900 0.038 0.000 1.353 352 G CA 0.361 45.495 45.100 0.057 0.000 0.872 352 G HN 1.055 nan 8.290 nan 0.000 0.557 353 H N -0.421 118.586 119.070 -0.104 0.000 2.421 353 H HA -0.056 4.496 4.556 -0.007 0.000 0.298 353 H C 1.790 176.942 175.328 -0.292 0.000 1.087 353 H CA 1.909 57.784 56.048 -0.288 0.000 1.330 353 H CB -0.433 28.964 29.762 -0.609 0.000 1.388 353 H HN 0.635 nan 8.280 nan 0.000 0.526 354 H N -0.074 118.848 119.070 -0.246 0.000 2.553 354 H HA 0.028 4.580 4.556 -0.008 0.000 0.269 354 H C 0.121 175.474 175.328 0.042 0.000 1.011 354 H CA -0.327 55.691 56.048 -0.050 0.000 1.150 354 H CB -0.732 28.944 29.762 -0.143 0.000 1.339 354 H HN 0.183 nan 8.280 nan 0.000 0.604 355 F N 1.526 121.487 119.950 0.019 0.000 2.642 355 F HA -0.115 4.407 4.527 -0.008 0.000 0.371 355 F C 0.840 176.658 175.800 0.030 0.000 1.120 355 F CA -0.446 57.559 58.000 0.009 0.000 1.331 355 F CB 0.456 39.453 39.000 -0.006 0.000 1.044 355 F HN 0.097 nan 8.300 nan 0.000 0.594 356 C N 7.459 126.321 119.300 -0.730 0.000 2.519 356 C HA -0.015 4.441 4.460 -0.007 0.000 0.402 356 C C 1.775 176.637 174.990 -0.212 0.000 1.475 356 C CA 0.546 59.318 59.018 -0.411 0.000 1.504 356 C CB -1.401 26.129 27.740 -0.349 0.000 2.454 356 C HN 1.032 nan 8.230 nan 0.000 0.615 357 T N 4.259 118.732 114.554 -0.135 0.000 2.803 357 T HA -0.069 4.277 4.350 -0.007 0.000 0.269 357 T C 1.626 176.204 174.700 -0.203 0.000 1.052 357 T CA 1.748 63.745 62.100 -0.171 0.000 1.136 357 T CB -0.142 68.506 68.868 -0.366 0.000 0.864 357 T HN 0.963 nan 8.240 nan 0.000 0.467 358 G N 0.012 108.696 108.800 -0.193 0.000 3.284 358 G HA2 0.456 4.412 3.960 -0.007 0.000 0.236 358 G HA3 0.456 4.412 3.960 -0.007 0.000 0.236 358 G C 1.466 176.334 174.900 -0.054 0.000 1.158 358 G CA 0.488 45.561 45.100 -0.045 0.000 0.774 358 G HN 0.488 nan 8.290 nan 0.000 0.545 359 A N 0.556 123.263 122.820 -0.188 0.000 1.881 359 A HA -0.150 4.166 4.320 -0.007 0.000 0.219 359 A C 2.548 179.940 177.584 -0.320 0.000 1.215 359 A CA 2.289 54.002 52.037 -0.540 0.000 0.648 359 A CB -0.794 17.919 19.000 -0.477 0.000 0.832 359 A HN 0.326 nan 8.150 nan 0.000 0.455 360 V N -0.402 119.458 119.914 -0.091 0.000 2.295 360 V HA -0.231 3.885 4.120 -0.007 0.000 0.246 360 V C 2.498 178.593 176.094 0.002 0.000 1.049 360 V CA 1.967 64.249 62.300 -0.030 0.000 1.024 360 V CB -0.936 30.902 31.823 0.024 0.000 0.648 360 V HN 0.601 nan 8.190 nan 0.000 0.447 361 L N 1.121 122.374 121.223 0.051 0.000 2.012 361 L HA -0.112 4.223 4.340 -0.007 0.000 0.210 361 L C 2.465 179.360 176.870 0.040 0.000 1.073 361 L CA 2.469 57.343 54.840 0.057 0.000 0.748 361 L CB -1.069 41.073 42.059 0.138 0.000 0.891 361 L HN 0.218 nan 8.230 nan 0.000 0.431 362 A N -0.400 122.445 122.820 0.041 0.000 1.908 362 A HA -0.266 4.049 4.320 -0.007 0.000 0.218 362 A C 2.445 180.083 177.584 0.090 0.000 1.181 362 A CA 1.874 53.956 52.037 0.074 0.000 0.627 362 A CB -0.651 18.429 19.000 0.133 0.000 0.818 362 A HN 0.511 nan 8.150 nan 0.000 0.445 363 R N -0.620 119.908 120.500 0.046 0.000 2.081 363 R HA -0.090 4.245 4.340 -0.007 0.000 0.235 363 R C 2.139 178.484 176.300 0.076 0.000 1.131 363 R CA 2.028 58.170 56.100 0.070 0.000 0.960 363 R CB -0.539 29.774 30.300 0.020 0.000 0.856 363 R HN 0.482 nan 8.270 nan 0.000 0.436 364 M N 0.476 120.112 119.600 0.060 0.000 2.117 364 M HA -0.181 4.295 4.480 -0.007 0.000 0.262 364 M C 1.720 178.089 176.300 0.115 0.000 1.065 364 M CA 1.869 57.211 55.300 0.069 0.000 1.114 364 M CB -0.411 32.218 32.600 0.048 0.000 1.361 364 M HN 0.337 nan 8.290 nan 0.000 0.408 365 Q N -0.902 118.981 119.800 0.137 0.000 2.084 365 Q HA -0.153 4.182 4.340 -0.007 0.000 0.202 365 Q C 1.794 177.952 176.000 0.264 0.000 0.978 365 Q CA 2.179 58.147 55.803 0.274 0.000 0.844 365 Q CB -0.278 28.567 28.738 0.177 0.000 0.898 365 Q HN 0.539 nan 8.270 nan 0.000 0.426 366 T N 0.798 115.449 114.554 0.163 0.000 2.867 366 T HA -0.120 4.226 4.350 -0.007 0.000 0.268 366 T C 1.433 176.181 174.700 0.080 0.000 1.057 366 T CA 1.109 63.281 62.100 0.120 0.000 1.136 366 T CB -0.063 68.874 68.868 0.116 0.000 0.874 366 T HN 0.307 nan 8.240 nan 0.000 0.466 367 E N 0.534 120.781 120.200 0.078 0.000 2.106 367 E HA 0.017 4.363 4.350 -0.007 0.000 0.192 367 E C 2.123 178.737 176.600 0.023 0.000 0.984 367 E CA 0.637 57.066 56.400 0.049 0.000 0.806 367 E CB -0.113 29.617 29.700 0.050 0.000 0.750 367 E HN 0.397 nan 8.360 nan 0.000 0.458 368 L N 0.401 121.645 121.223 0.035 0.000 2.072 368 L HA -0.159 4.176 4.340 -0.007 0.000 0.205 368 L C 2.386 179.182 176.870 -0.123 0.000 1.079 368 L CA 0.814 55.638 54.840 -0.027 0.000 0.752 368 L CB -0.460 41.611 42.059 0.019 0.000 0.906 368 L HN 0.204 nan 8.230 nan 0.000 0.436 369 L N -0.709 120.433 121.223 -0.134 0.000 1.970 369 L HA -0.230 4.105 4.340 -0.007 0.000 0.212 369 L C 2.594 179.393 176.870 -0.118 0.000 1.071 369 L CA 1.202 55.928 54.840 -0.189 0.000 0.751 369 L CB -0.720 41.272 42.059 -0.110 0.000 0.889 369 L HN 0.017 nan 8.230 nan 0.000 0.432 370 V N -0.030 119.851 119.914 -0.056 0.000 2.252 370 V HA -0.358 3.758 4.120 -0.007 0.000 0.249 370 V C 2.209 178.269 176.094 -0.057 0.000 1.056 370 V CA 2.204 64.479 62.300 -0.042 0.000 1.022 370 V CB -0.608 31.210 31.823 -0.009 0.000 0.641 370 V HN 0.459 nan 8.190 nan 0.000 0.445 371 D N -0.265 120.105 120.400 -0.051 0.000 2.092 371 D HA -0.145 4.491 4.640 -0.007 0.000 0.193 371 D C 2.321 178.574 176.300 -0.079 0.000 0.994 371 D CA 2.014 55.983 54.000 -0.052 0.000 0.828 371 D CB -0.546 40.232 40.800 -0.037 0.000 0.963 371 D HN 0.413 nan 8.370 nan 0.000 0.450 372 T N 0.802 115.290 114.554 -0.109 0.000 2.737 372 T HA -0.047 4.298 4.350 -0.007 0.000 0.265 372 T C 2.217 176.822 174.700 -0.158 0.000 1.038 372 T CA 0.549 62.566 62.100 -0.138 0.000 1.144 372 T CB -0.306 68.451 68.868 -0.184 0.000 0.866 372 T HN 0.088 nan 8.240 nan 0.000 0.434 373 L N 0.452 121.575 121.223 -0.167 0.000 2.017 373 L HA -0.054 4.281 4.340 -0.007 0.000 0.208 373 L C 2.505 179.284 176.870 -0.152 0.000 1.073 373 L CA 1.194 55.926 54.840 -0.181 0.000 0.745 373 L CB -0.613 41.352 42.059 -0.157 0.000 0.894 373 L HN 0.246 nan 8.230 nan 0.000 0.432 374 L N -0.453 120.706 121.223 -0.107 0.000 2.083 374 L HA -0.215 4.120 4.340 -0.007 0.000 0.209 374 L C 2.693 179.514 176.870 -0.082 0.000 1.083 374 L CA 1.382 56.173 54.840 -0.082 0.000 0.752 374 L CB -0.490 41.535 42.059 -0.055 0.000 0.899 374 L HN 0.404 nan 8.230 nan 0.000 0.433 375 E N 0.324 120.473 120.200 -0.086 0.000 2.051 375 E HA -0.158 4.187 4.350 -0.007 0.000 0.189 375 E C 2.187 178.730 176.600 -0.095 0.000 0.979 375 E CA 0.588 56.944 56.400 -0.074 0.000 0.803 375 E CB 0.142 29.804 29.700 -0.065 0.000 0.761 375 E HN 0.339 nan 8.360 nan 0.000 0.451 376 R N 0.042 120.457 120.500 -0.141 0.000 2.276 376 R HA 0.144 4.480 4.340 -0.007 0.000 0.203 376 R C 0.520 176.656 176.300 -0.272 0.000 1.017 376 R CA 0.334 56.325 56.100 -0.182 0.000 1.010 376 R CB 0.195 30.372 30.300 -0.206 0.000 0.900 376 R HN 0.251 nan 8.270 nan 0.000 0.469 377 L N 3.329 124.377 121.223 -0.292 0.000 2.502 377 L HA 0.325 4.660 4.340 -0.007 0.000 0.247 377 L C -2.289 174.488 176.870 -0.154 0.000 1.180 377 L CA -1.843 52.761 54.840 -0.394 0.000 0.956 377 L CB 1.520 43.255 42.059 -0.539 0.000 1.282 377 L HN -0.256 nan 8.230 nan 0.000 0.470 378 P HA 0.056 nan 4.420 nan 0.000 0.267 378 P C 0.863 177.999 177.300 -0.273 0.000 1.205 378 P CA 0.758 63.823 63.100 -0.058 0.000 0.765 378 P CB 1.301 33.050 31.700 0.082 0.000 0.828 379 G N 1.882 110.503 108.800 -0.298 0.000 2.143 379 G HA2 -0.274 3.682 3.960 -0.007 0.000 0.248 379 G HA3 -0.274 3.682 3.960 -0.007 0.000 0.248 379 G C -0.036 174.742 174.900 -0.203 0.000 0.991 379 G CA -0.170 44.657 45.100 -0.455 0.000 0.689 379 G HN 0.605 nan 8.290 nan 0.000 0.522 380 L N 0.527 121.707 121.223 -0.071 0.000 2.640 380 L HA 0.482 4.818 4.340 -0.007 0.000 0.280 380 L C 0.775 177.645 176.870 0.001 0.000 1.229 380 L CA 1.037 55.892 54.840 0.025 0.000 0.919 380 L CB 0.037 42.093 42.059 -0.005 0.000 1.168 380 L HN 0.438 nan 8.230 nan 0.000 0.496 381 R N 3.859 124.375 120.500 0.026 0.000 2.734 381 R HA 0.492 4.827 4.340 -0.007 0.000 0.271 381 R C -1.331 174.974 176.300 0.008 0.000 1.021 381 R CA -1.185 54.915 56.100 -0.001 0.000 0.893 381 R CB 1.157 31.449 30.300 -0.013 0.000 1.244 381 R HN 0.497 nan 8.270 nan 0.000 0.464 382 L N 1.611 122.828 121.223 -0.011 0.000 2.453 382 L HA 0.113 4.449 4.340 -0.007 0.000 0.272 382 L C 1.260 178.126 176.870 -0.006 0.000 1.182 382 L CA 0.216 55.053 54.840 -0.006 0.000 0.858 382 L CB 1.081 43.128 42.059 -0.021 0.000 1.120 382 L HN 0.918 nan 8.230 nan 0.000 0.474 383 A N 4.065 126.883 122.820 -0.005 0.000 2.123 383 A HA 0.168 4.484 4.320 -0.007 0.000 0.214 383 A C 0.546 178.125 177.584 -0.009 0.000 1.152 383 A CA 0.613 52.637 52.037 -0.021 0.000 0.728 383 A CB -0.004 18.975 19.000 -0.035 0.000 0.814 383 A HN 0.530 nan 8.150 nan 0.000 0.464 384 V N -4.758 115.159 119.914 0.006 0.000 3.074 384 V HA 0.672 4.788 4.120 -0.007 0.000 0.314 384 V C -3.289 172.821 176.094 0.026 0.000 1.117 384 V CA -2.929 59.382 62.300 0.017 0.000 1.014 384 V CB 1.260 33.099 31.823 0.027 0.000 1.057 384 V HN 0.016 nan 8.190 nan 0.000 0.438 385 P HA 0.282 nan 4.420 nan 0.000 0.268 385 P C 0.806 178.150 177.300 0.074 0.000 1.208 385 P CA 0.571 63.697 63.100 0.043 0.000 0.777 385 P CB 0.798 32.525 31.700 0.046 0.000 0.875 386 A N 2.939 125.808 122.820 0.083 0.000 1.940 386 A HA -0.245 4.071 4.320 -0.007 0.000 0.219 386 A C 1.828 179.567 177.584 0.259 0.000 1.176 386 A CA 2.004 54.140 52.037 0.164 0.000 0.631 386 A CB -1.236 17.845 19.000 0.135 0.000 0.814 386 A HN 0.759 nan 8.150 nan 0.000 0.446 387 E N -0.344 119.968 120.200 0.187 0.000 2.333 387 E HA -0.225 4.121 4.350 -0.007 0.000 0.198 387 E C 1.654 178.352 176.600 0.163 0.000 1.007 387 E CA 1.227 57.733 56.400 0.178 0.000 0.845 387 E CB -0.325 29.444 29.700 0.115 0.000 0.766 387 E HN 0.769 nan 8.360 nan 0.000 0.507 388 Q N 0.615 120.499 119.800 0.139 0.000 2.424 388 Q HA 0.090 4.426 4.340 -0.007 0.000 0.204 388 Q C -0.075 175.996 176.000 0.119 0.000 0.933 388 Q CA 0.073 55.941 55.803 0.108 0.000 0.929 388 Q CB 0.798 29.580 28.738 0.074 0.000 1.037 388 Q HN 0.144 nan 8.270 nan 0.000 0.511 389 V N 2.042 122.059 119.914 0.172 0.000 2.439 389 V HA 0.183 4.299 4.120 -0.007 0.000 0.271 389 V C 0.262 176.436 176.094 0.133 0.000 1.040 389 V CA -0.397 61.975 62.300 0.120 0.000 1.002 389 V CB 0.512 32.438 31.823 0.172 0.000 1.000 389 V HN 0.170 nan 8.190 nan 0.000 0.477 390 A N 5.811 128.660 122.820 0.048 0.000 2.351 390 A HA 0.641 4.956 4.320 -0.007 0.000 0.257 390 A C -0.916 176.670 177.584 0.002 0.000 1.087 390 A CA -0.312 51.792 52.037 0.112 0.000 0.798 390 A CB 0.402 19.439 19.000 0.062 0.000 1.033 390 A HN 0.796 nan 8.150 nan 0.000 0.488 391 W N 0.254 121.526 121.300 -0.046 0.000 2.781 391 W HA 0.570 5.226 4.660 -0.006 0.000 0.345 391 W C 0.177 176.650 176.519 -0.078 0.000 1.085 391 W CA -0.630 56.669 57.345 -0.077 0.000 1.198 391 W CB 1.060 30.454 29.460 -0.110 0.000 1.423 391 W HN 0.679 nan 8.180 nan 0.000 0.532 392 R N 2.393 122.963 120.500 0.116 0.000 2.585 392 R HA 0.345 4.681 4.340 -0.007 0.000 0.275 392 R C -0.107 176.205 176.300 0.020 0.000 1.018 392 R CA -0.068 56.038 56.100 0.010 0.000 1.072 392 R CB 0.328 30.564 30.300 -0.106 0.000 0.953 392 R HN 0.405 nan 8.270 nan 0.000 0.419 393 R N 1.496 121.992 120.500 -0.006 0.000 2.807 393 R HA 0.253 4.589 4.340 -0.007 0.000 0.276 393 R C -0.418 175.863 176.300 -0.032 0.000 0.979 393 R CA -1.119 54.971 56.100 -0.016 0.000 0.928 393 R CB 1.883 32.182 30.300 -0.001 0.000 1.191 393 R HN 0.545 nan 8.270 nan 0.000 0.471 394 K N 0.014 120.389 120.400 -0.041 0.000 3.077 394 K HA -0.212 4.104 4.320 -0.007 0.000 0.264 394 K C -0.531 176.043 176.600 -0.043 0.000 1.008 394 K CA 1.179 57.444 56.287 -0.037 0.000 0.740 394 K CB -1.157 31.334 32.500 -0.015 0.000 1.273 394 K HN 0.688 nan 8.250 nan 0.000 0.477 395 T N -0.896 113.616 114.554 -0.070 0.000 2.893 395 T HA 0.467 4.813 4.350 -0.007 0.000 0.293 395 T C 0.895 175.528 174.700 -0.111 0.000 1.027 395 T CA -0.750 61.300 62.100 -0.083 0.000 0.988 395 T CB 1.763 70.564 68.868 -0.112 0.000 1.043 395 T HN 0.284 nan 8.240 nan 0.000 0.461 396 M N 4.041 123.584 119.600 -0.094 0.000 2.080 396 M HA 0.157 4.633 4.480 -0.007 0.000 0.260 396 M C 0.097 176.296 176.300 -0.167 0.000 1.068 396 M CA 1.740 56.972 55.300 -0.113 0.000 1.109 396 M CB -0.012 32.550 32.600 -0.063 0.000 1.342 396 M HN 0.601 nan 8.290 nan 0.000 0.405 397 I N 1.268 121.724 120.570 -0.190 0.000 2.365 397 I HA 0.205 4.371 4.170 -0.007 0.000 0.291 397 I C 0.197 176.133 176.117 -0.300 0.000 1.004 397 I CA -0.528 60.593 61.300 -0.299 0.000 1.311 397 I CB 1.155 39.014 38.000 -0.236 0.000 1.401 397 I HN 0.183 nan 8.210 nan 0.000 0.491 398 R N 3.541 123.891 120.500 -0.252 0.000 2.500 398 R HA 0.758 5.094 4.340 -0.007 0.000 0.277 398 R C -0.080 176.206 176.300 -0.024 0.000 1.026 398 R CA -0.416 55.620 56.100 -0.107 0.000 1.058 398 R CB 1.720 31.996 30.300 -0.040 0.000 1.078 398 R HN 0.941 nan 8.270 nan 0.000 0.509 399 G N 2.299 111.148 108.800 0.082 0.000 2.325 399 G HA2 0.136 4.091 3.960 -0.007 0.000 0.297 399 G HA3 0.136 4.091 3.960 -0.007 0.000 0.297 399 G C -3.113 171.609 174.900 -0.298 0.000 1.448 399 G CA -0.906 44.194 45.100 -0.000 0.000 0.838 399 G HN 0.332 nan 8.290 nan 0.000 0.579 400 P HA 0.246 nan 4.420 nan 0.000 0.275 400 P C 0.255 177.312 177.300 -0.405 0.000 1.227 400 P CA -0.307 62.176 63.100 -1.029 0.000 0.781 400 P CB 1.812 32.936 31.700 -0.960 0.000 0.906 401 R N 0.710 121.022 120.500 -0.313 0.000 2.161 401 R HA 0.081 4.417 4.340 -0.007 0.000 0.213 401 R C 0.961 177.211 176.300 -0.084 0.000 1.055 401 R CA 1.081 57.106 56.100 -0.126 0.000 0.996 401 R CB -0.153 30.102 30.300 -0.075 0.000 0.901 401 R HN 0.657 nan 8.270 nan 0.000 0.456 402 T N -2.884 111.600 114.554 -0.117 0.000 2.843 402 T HA 0.534 4.879 4.350 -0.007 0.000 0.302 402 T C -0.848 173.815 174.700 -0.062 0.000 1.232 402 T CA -0.852 61.213 62.100 -0.058 0.000 1.009 402 T CB 1.905 70.757 68.868 -0.026 0.000 1.254 402 T HN -0.052 nan 8.240 nan 0.000 0.504 403 L N 1.377 122.591 121.223 -0.015 0.000 2.534 403 L HA 0.376 4.712 4.340 -0.007 0.000 0.259 403 L C -2.900 173.990 176.870 0.032 0.000 1.108 403 L CA -1.822 53.024 54.840 0.011 0.000 0.905 403 L CB 2.229 44.297 42.059 0.015 0.000 1.138 403 L HN 0.452 nan 8.230 nan 0.000 0.475 404 P HA 0.164 nan 4.420 nan 0.000 0.276 404 P C -0.691 176.635 177.300 0.044 0.000 1.264 404 P CA 0.005 63.127 63.100 0.037 0.000 0.769 404 P CB 0.646 32.360 31.700 0.023 0.000 0.840 405 C N 2.297 121.644 119.300 0.078 0.000 2.848 405 C HA 0.797 5.252 4.460 -0.007 0.000 0.317 405 C C 0.352 175.381 174.990 0.065 0.000 1.260 405 C CA -0.068 59.012 59.018 0.104 0.000 1.656 405 C CB 2.327 30.175 27.740 0.180 0.000 2.174 405 C HN 0.457 nan 8.230 nan 0.000 0.479 406 T N 0.026 114.595 114.554 0.026 0.000 2.887 406 T HA 0.856 5.202 4.350 -0.007 0.000 0.292 406 T C -2.151 172.534 174.700 -0.025 0.000 1.087 406 T CA -0.260 61.703 62.100 -0.227 0.000 1.009 406 T CB 1.268 70.002 68.868 -0.223 0.000 1.203 406 T HN 1.038 nan 8.240 nan 0.000 0.518 407 W N 0.678 121.929 121.300 -0.081 0.000 3.057 407 W HA 0.549 5.205 4.660 -0.008 0.000 0.328 407 W C -1.484 174.999 176.519 -0.060 0.000 1.232 407 W CA -0.975 56.281 57.345 -0.149 0.000 1.187 407 W CB -0.205 29.159 29.460 -0.160 0.000 1.417 407 W HN 0.599 nan 8.180 nan 0.000 0.569 408 H N 2.682 121.851 119.070 0.165 0.000 3.192 408 H HA 0.022 4.574 4.556 -0.007 0.000 0.295 408 H C 0.296 175.683 175.328 0.098 0.000 0.943 408 H CA 1.828 57.931 56.048 0.092 0.000 1.416 408 H CB 0.274 30.099 29.762 0.105 0.000 1.434 408 H HN 0.785 nan 8.280 nan 0.000 0.565 409 H N 1.980 121.024 119.070 -0.043 0.000 3.022 409 H HA 0.189 4.740 4.556 -0.007 0.000 0.180 409 H C -0.088 174.885 175.328 -0.591 0.000 1.111 409 H CA -0.177 55.733 56.048 -0.231 0.000 1.304 409 H CB 1.288 30.936 29.762 -0.189 0.000 1.290 409 H HN 0.528 nan 8.280 nan 0.000 0.441 410 H N -0.680 118.306 119.070 -0.140 0.000 3.017 410 H HA 0.224 4.775 4.556 -0.007 0.000 0.346 410 H C -0.571 174.562 175.328 -0.325 0.000 1.286 410 H CA -0.630 55.133 56.048 -0.476 0.000 1.120 410 H CB 1.454 30.805 29.762 -0.685 0.000 1.860 410 H HN 0.517 nan 8.280 nan 0.000 0.542 411 H N 0.000 119.158 119.070 0.146 0.000 2.539 411 H HA 0.000 4.551 4.556 -0.008 0.000 0.296 411 H CA 0.000 56.077 56.048 0.048 0.000 1.023 411 H CB 0.000 29.791 29.762 0.049 0.000 1.292 411 H HN 0.000 nan 8.280 nan 0.000 0.496