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 2jah_1_D DATA FIRST_RESID 3 DATA SEQUENCE SALQGKVALI TGASSGIGEA TARALAAEGA AVAIAARRVE KLRALGDELT DATA SEQUENCE AAGAKVHVLE LDVADRQGVD AAVASTVEAL GGLDILVNNA GIXLLGPVED DATA SEQUENCE ADTTDWTRXI DTNLLGLXYX TRAALPHLLR SKGTVVQXSS IAGRVNVRNA DATA SEQUENCE AVYQATKFGV NAFSETLRQE VTERGVRVVV IEPGTTDTEL RGHITHTATK DATA SEQUENCE EXYEQRISQI RKLQAQDIAE AVRYAVTAPH HATVHEIFIR PTDQV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.607 174.600 0.012 0.000 1.055 3 S CA 0.000 58.207 58.200 0.012 0.000 1.107 3 S CB 0.000 63.206 63.200 0.011 0.000 0.593 4 A N 1.418 124.246 122.820 0.014 0.000 2.070 4 A HA 0.286 4.607 4.320 0.000 0.000 0.220 4 A C 1.516 179.106 177.584 0.010 0.000 1.159 4 A CA 1.227 53.272 52.037 0.013 0.000 0.656 4 A CB -0.450 18.559 19.000 0.015 0.000 0.800 4 A HN 0.721 nan 8.150 nan 0.000 0.453 5 L N -0.231 120.998 121.223 0.010 0.000 2.965 5 L HA 0.136 4.476 4.340 0.000 0.000 0.254 5 L C -0.060 176.815 176.870 0.008 0.000 1.220 5 L CA -0.529 54.316 54.840 0.009 0.000 1.023 5 L CB 0.106 42.171 42.059 0.010 0.000 1.355 5 L HN 0.249 nan 8.230 nan 0.000 0.545 6 Q N 1.113 120.917 119.800 0.007 0.000 2.263 6 Q HA 0.077 4.417 4.340 0.000 0.000 0.289 6 Q C 1.301 177.304 176.000 0.004 0.000 1.061 6 Q CA 1.305 57.111 55.803 0.006 0.000 0.927 6 Q CB 0.936 29.678 28.738 0.006 0.000 1.154 6 Q HN 0.540 nan 8.270 nan 0.000 0.378 7 G N 2.748 111.550 108.800 0.002 0.000 2.205 7 G HA2 -0.231 3.730 3.960 0.000 0.000 0.261 7 G HA3 -0.231 3.730 3.960 0.000 0.000 0.261 7 G C 0.156 175.056 174.900 -0.001 0.000 0.980 7 G CA 0.160 45.260 45.100 -0.000 0.000 0.632 7 G HN 0.432 nan 8.290 nan 0.000 0.533 8 K N 0.147 120.548 120.400 0.002 0.000 2.126 8 K HA 0.675 4.995 4.320 0.000 0.000 0.257 8 K C 0.105 176.707 176.600 0.003 0.000 1.007 8 K CA -0.546 55.742 56.287 0.003 0.000 0.928 8 K CB 1.960 34.464 32.500 0.006 0.000 1.013 8 K HN 0.194 nan 8.250 nan 0.000 0.473 9 V N 1.219 121.134 119.914 0.002 0.000 2.444 9 V HA 0.483 4.603 4.120 0.000 0.000 0.294 9 V C -0.425 175.674 176.094 0.009 0.000 1.022 9 V CA -1.014 61.286 62.300 0.001 0.000 0.850 9 V CB 1.488 33.303 31.823 -0.013 0.000 0.992 9 V HN 0.835 nan 8.190 nan 0.000 0.426 10 A N 5.262 128.091 122.820 0.015 0.000 2.330 10 A HA 0.883 5.203 4.320 0.000 0.000 0.327 10 A C -1.127 176.473 177.584 0.026 0.000 1.155 10 A CA -0.549 51.501 52.037 0.020 0.000 0.803 10 A CB 1.392 20.405 19.000 0.021 0.000 1.208 10 A HN 0.822 nan 8.150 nan 0.000 0.477 11 L N 3.534 124.775 121.223 0.029 0.000 2.298 11 L HA 0.742 5.083 4.340 0.000 0.000 0.284 11 L C -1.370 175.519 176.870 0.033 0.000 1.013 11 L CA -0.719 54.142 54.840 0.035 0.000 0.824 11 L CB 0.458 42.539 42.059 0.037 0.000 1.221 11 L HN 0.485 nan 8.230 nan 0.000 0.418 12 I N 4.451 125.039 120.570 0.029 0.000 2.362 12 I HA 0.461 4.631 4.170 0.000 0.000 0.289 12 I C 0.612 176.743 176.117 0.023 0.000 0.994 12 I CA -0.203 61.112 61.300 0.026 0.000 1.158 12 I CB 1.868 39.882 38.000 0.023 0.000 1.315 12 I HN 0.746 nan 8.210 nan 0.000 0.451 13 T N 1.687 116.255 114.554 0.024 0.000 2.922 13 T HA 0.585 4.935 4.350 0.000 0.000 0.285 13 T C 0.913 175.623 174.700 0.016 0.000 1.005 13 T CA -0.146 61.966 62.100 0.020 0.000 1.061 13 T CB 1.419 70.301 68.868 0.023 0.000 1.007 13 T HN 1.213 nan 8.240 nan 0.000 0.502 14 G N 0.580 109.387 108.800 0.011 0.000 2.314 14 G HA2 -0.010 3.951 3.960 0.000 0.000 0.292 14 G HA3 -0.010 3.951 3.960 0.000 0.000 0.292 14 G C 0.670 175.578 174.900 0.014 0.000 1.059 14 G CA 0.015 45.121 45.100 0.009 0.000 0.982 14 G HN 1.506 nan 8.290 nan 0.000 0.505 15 A N -0.256 122.571 122.820 0.012 0.000 2.275 15 A HA 0.493 4.813 4.320 0.000 0.000 0.212 15 A C 2.351 179.943 177.584 0.013 0.000 1.201 15 A CA 1.591 53.636 52.037 0.013 0.000 0.843 15 A CB -0.200 18.806 19.000 0.010 0.000 0.873 15 A HN 1.633 nan 8.150 nan 0.000 0.492 16 S N -0.213 115.495 115.700 0.013 0.000 2.489 16 S HA 0.117 4.588 4.470 0.000 0.000 0.228 16 S C 0.878 175.492 174.600 0.024 0.000 0.995 16 S CA 0.719 58.928 58.200 0.015 0.000 0.934 16 S CB -0.451 62.757 63.200 0.015 0.000 0.771 16 S HN 1.069 nan 8.310 nan 0.000 0.522 17 S N -1.429 114.288 115.700 0.029 0.000 2.672 17 S HA 0.732 5.202 4.470 0.000 0.000 0.271 17 S C 0.542 175.165 174.600 0.037 0.000 1.171 17 S CA -0.347 57.875 58.200 0.036 0.000 0.817 17 S CB 0.720 63.950 63.200 0.050 0.000 1.150 17 S HN 1.540 nan 8.310 nan 0.000 0.478 18 G N 1.174 109.999 108.800 0.041 0.000 2.574 18 G HA2 -0.280 3.680 3.960 0.000 0.000 0.286 18 G HA3 -0.280 3.680 3.960 0.000 0.000 0.286 18 G C 0.671 175.594 174.900 0.039 0.000 1.212 18 G CA 0.445 45.571 45.100 0.044 0.000 0.979 18 G HN 1.239 nan 8.290 nan 0.000 0.557 19 I N 1.722 122.317 120.570 0.042 0.000 2.179 19 I HA -0.056 4.114 4.170 0.000 0.000 0.242 19 I C 3.125 179.262 176.117 0.033 0.000 1.088 19 I CA 2.060 63.383 61.300 0.039 0.000 1.357 19 I CB -0.725 37.301 38.000 0.044 0.000 1.051 19 I HN 0.662 nan 8.210 nan 0.000 0.409 20 G N 0.098 108.916 108.800 0.031 0.000 2.440 20 G HA2 -0.315 3.645 3.960 0.000 0.000 0.218 20 G HA3 -0.315 3.645 3.960 0.000 0.000 0.218 20 G C 1.540 176.454 174.900 0.024 0.000 1.154 20 G CA 1.025 46.140 45.100 0.026 0.000 0.767 20 G HN 0.488 nan 8.290 nan 0.000 0.552 21 E N 0.521 120.736 120.200 0.024 0.000 2.051 21 E HA -0.067 4.283 4.350 0.000 0.000 0.192 21 E C 2.767 179.380 176.600 0.022 0.000 0.991 21 E CA 1.117 57.530 56.400 0.022 0.000 0.799 21 E CB -0.300 29.413 29.700 0.022 0.000 0.748 21 E HN 0.328 nan 8.360 nan 0.000 0.449 22 A N 0.252 123.087 122.820 0.025 0.000 1.933 22 A HA -0.163 4.157 4.320 0.000 0.000 0.218 22 A C 2.381 179.980 177.584 0.025 0.000 1.175 22 A CA 2.020 54.071 52.037 0.024 0.000 0.628 22 A CB -0.911 18.104 19.000 0.027 0.000 0.814 22 A HN 0.365 nan 8.150 nan 0.000 0.444 23 T N 0.249 114.819 114.554 0.026 0.000 2.777 23 T HA 0.011 4.362 4.350 0.000 0.000 0.266 23 T C 2.261 176.975 174.700 0.024 0.000 1.040 23 T CA 1.498 63.614 62.100 0.026 0.000 1.141 23 T CB -0.474 68.410 68.868 0.027 0.000 0.868 23 T HN 0.600 nan 8.240 nan 0.000 0.444 24 A N 2.049 124.883 122.820 0.022 0.000 1.883 24 A HA -0.174 4.147 4.320 0.000 0.000 0.217 24 A C 2.394 179.989 177.584 0.020 0.000 1.186 24 A CA 1.494 53.544 52.037 0.020 0.000 0.624 24 A CB -0.538 18.473 19.000 0.018 0.000 0.822 24 A HN 0.376 nan 8.150 nan 0.000 0.444 25 R N -0.759 119.753 120.500 0.019 0.000 2.083 25 R HA -0.135 4.206 4.340 0.000 0.000 0.237 25 R C 2.506 178.818 176.300 0.019 0.000 1.137 25 R CA 1.346 57.456 56.100 0.018 0.000 0.951 25 R CB -0.526 29.785 30.300 0.018 0.000 0.851 25 R HN 0.540 nan 8.270 nan 0.000 0.434 26 A N 1.131 123.964 122.820 0.022 0.000 1.898 26 A HA -0.096 4.224 4.320 0.000 0.000 0.216 26 A C 2.219 179.817 177.584 0.022 0.000 1.181 26 A CA 1.044 53.095 52.037 0.023 0.000 0.620 26 A CB -0.428 18.589 19.000 0.028 0.000 0.819 26 A HN 0.157 nan 8.150 nan 0.000 0.442 27 L N -0.891 120.345 121.223 0.021 0.000 2.072 27 L HA -0.131 4.210 4.340 0.000 0.000 0.205 27 L C 3.112 179.992 176.870 0.018 0.000 1.079 27 L CA 0.935 55.787 54.840 0.019 0.000 0.752 27 L CB -0.640 41.430 42.059 0.019 0.000 0.906 27 L HN 0.419 nan 8.230 nan 0.000 0.436 28 A N 0.386 123.217 122.820 0.018 0.000 1.917 28 A HA -0.242 4.078 4.320 0.000 0.000 0.219 28 A C 2.520 180.113 177.584 0.016 0.000 1.182 28 A CA 1.953 54.000 52.037 0.017 0.000 0.633 28 A CB -0.736 18.274 19.000 0.017 0.000 0.819 28 A HN 0.419 nan 8.150 nan 0.000 0.448 29 A N -0.771 122.058 122.820 0.016 0.000 1.972 29 A HA -0.115 4.206 4.320 0.000 0.000 0.219 29 A C 1.758 179.351 177.584 0.016 0.000 1.169 29 A CA 1.493 53.539 52.037 0.016 0.000 0.635 29 A CB -0.310 18.701 19.000 0.017 0.000 0.810 29 A HN 0.463 nan 8.150 nan 0.000 0.446 30 E N -1.178 119.032 120.200 0.017 0.000 2.494 30 E HA 0.165 4.515 4.350 0.000 0.000 0.193 30 E C 1.155 177.763 176.600 0.014 0.000 1.074 30 E CA 0.644 57.053 56.400 0.016 0.000 0.867 30 E CB -0.122 29.589 29.700 0.017 0.000 0.924 30 E HN 0.787 nan 8.360 nan 0.000 0.502 31 G N 0.906 109.714 108.800 0.013 0.000 2.176 31 G HA2 -0.270 3.690 3.960 0.000 0.000 0.232 31 G HA3 -0.270 3.690 3.960 0.000 0.000 0.232 31 G C 0.484 175.391 174.900 0.010 0.000 0.986 31 G CA 0.084 45.191 45.100 0.011 0.000 0.643 31 G HN 0.477 nan 8.290 nan 0.000 0.522 32 A N 0.166 122.993 122.820 0.012 0.000 2.407 32 A HA 0.830 5.150 4.320 0.000 0.000 0.248 32 A C 0.923 178.515 177.584 0.013 0.000 1.082 32 A CA 0.912 52.956 52.037 0.012 0.000 0.785 32 A CB 0.585 19.593 19.000 0.013 0.000 1.020 32 A HN 2.069 nan 8.150 nan 0.000 0.489 33 A N 1.412 124.238 122.820 0.011 0.000 2.401 33 A HA 0.524 4.844 4.320 0.000 0.000 0.259 33 A C 0.213 177.810 177.584 0.021 0.000 1.103 33 A CA 0.133 52.179 52.037 0.015 0.000 0.789 33 A CB -0.180 18.825 19.000 0.008 0.000 1.035 33 A HN 2.038 nan 8.150 nan 0.000 0.491 34 V N 0.167 120.100 119.914 0.031 0.000 2.448 34 V HA 0.838 4.959 4.120 0.000 0.000 0.295 34 V C 0.107 176.234 176.094 0.056 0.000 1.025 34 V CA -0.434 61.888 62.300 0.036 0.000 0.859 34 V CB 1.030 32.870 31.823 0.028 0.000 0.988 34 V HN 1.419 nan 8.190 nan 0.000 0.431 35 A N 6.874 129.732 122.820 0.063 0.000 2.249 35 A HA 0.846 5.166 4.320 0.000 0.000 0.314 35 A C -0.129 177.478 177.584 0.038 0.000 1.290 35 A CA -0.661 51.429 52.037 0.087 0.000 0.893 35 A CB 0.297 19.379 19.000 0.136 0.000 1.165 35 A HN 1.465 nan 8.150 nan 0.000 0.530 36 I N 0.705 121.278 120.570 0.005 0.000 2.355 36 I HA 0.779 4.949 4.170 0.000 0.000 0.288 36 I C 0.028 176.131 176.117 -0.024 0.000 0.999 36 I CA -0.659 60.639 61.300 -0.005 0.000 1.163 36 I CB 1.780 39.777 38.000 -0.004 0.000 1.316 36 I HN 0.494 nan 8.210 nan 0.000 0.454 37 A N 5.064 127.879 122.820 -0.008 0.000 2.331 37 A HA 1.018 5.338 4.320 0.000 0.000 0.320 37 A C -0.244 177.338 177.584 -0.004 0.000 1.138 37 A CA -0.075 51.956 52.037 -0.011 0.000 0.790 37 A CB 1.414 20.415 19.000 0.003 0.000 1.206 37 A HN 1.345 nan 8.150 nan 0.000 0.470 38 A N 1.731 124.546 122.820 -0.009 0.000 2.438 38 A HA 0.659 4.979 4.320 0.000 0.000 0.301 38 A C 0.189 177.770 177.584 -0.005 0.000 1.101 38 A CA -0.473 51.562 52.037 -0.004 0.000 0.621 38 A CB 0.223 19.222 19.000 -0.001 0.000 1.350 38 A HN 0.697 nan 8.150 nan 0.000 0.496 39 R N -0.538 119.961 120.500 -0.002 0.000 2.156 39 R HA 0.131 4.471 4.340 0.000 0.000 0.207 39 R C 0.201 176.502 176.300 0.002 0.000 1.040 39 R CA 0.477 56.577 56.100 0.000 0.000 1.013 39 R CB 0.052 30.354 30.300 0.003 0.000 0.931 39 R HN 0.537 nan 8.270 nan 0.000 0.465 40 R N 2.004 122.507 120.500 0.006 0.000 2.612 40 R HA 0.038 4.378 4.340 0.000 0.000 0.273 40 R C 1.337 177.638 176.300 0.001 0.000 1.376 40 R CA -0.234 55.871 56.100 0.008 0.000 1.171 40 R CB 0.581 30.892 30.300 0.018 0.000 1.151 40 R HN 0.098 nan 8.270 nan 0.000 0.560 41 V N 0.015 119.926 119.914 -0.005 0.000 2.392 41 V HA -0.280 3.840 4.120 0.000 0.000 0.249 41 V C 1.638 177.726 176.094 -0.009 0.000 1.059 41 V CA 1.547 63.839 62.300 -0.012 0.000 1.051 41 V CB -0.373 31.440 31.823 -0.016 0.000 0.658 41 V HN 0.573 nan 8.190 nan 0.000 0.455 42 E N 0.377 120.575 120.200 -0.003 0.000 2.106 42 E HA -0.157 4.193 4.350 0.000 0.000 0.192 42 E C 2.310 178.911 176.600 0.001 0.000 0.984 42 E CA 1.255 57.654 56.400 -0.001 0.000 0.806 42 E CB -0.176 29.525 29.700 0.002 0.000 0.750 42 E HN 0.637 nan 8.360 nan 0.000 0.458 43 K N 0.338 120.740 120.400 0.004 0.000 2.057 43 K HA -0.087 4.233 4.320 0.000 0.000 0.206 43 K C 2.162 178.763 176.600 0.002 0.000 1.050 43 K CA 0.762 57.053 56.287 0.006 0.000 0.935 43 K CB -0.055 32.453 32.500 0.012 0.000 0.715 43 K HN 0.122 nan 8.250 nan 0.000 0.439 44 L N 0.698 121.919 121.223 -0.003 0.000 2.046 44 L HA -0.193 4.148 4.340 0.000 0.000 0.208 44 L C 2.522 179.385 176.870 -0.012 0.000 1.077 44 L CA 1.310 56.144 54.840 -0.010 0.000 0.747 44 L CB -0.322 41.725 42.059 -0.021 0.000 0.896 44 L HN 0.168 nan 8.230 nan 0.000 0.432 45 R N -0.295 120.198 120.500 -0.013 0.000 2.096 45 R HA -0.125 4.215 4.340 0.000 0.000 0.235 45 R C 2.349 178.647 176.300 -0.004 0.000 1.127 45 R CA 1.256 57.349 56.100 -0.011 0.000 0.968 45 R CB -0.438 29.855 30.300 -0.010 0.000 0.861 45 R HN 0.356 nan 8.270 nan 0.000 0.440 46 A N 1.308 124.128 122.820 -0.001 0.000 1.930 46 A HA -0.139 4.181 4.320 0.000 0.000 0.217 46 A C 2.082 179.668 177.584 0.004 0.000 1.175 46 A CA 0.931 52.969 52.037 0.002 0.000 0.627 46 A CB -0.345 18.657 19.000 0.004 0.000 0.815 46 A HN 0.224 nan 8.150 nan 0.000 0.443 47 L N 0.134 121.359 121.223 0.004 0.000 2.027 47 L HA 0.051 4.391 4.340 0.000 0.000 0.206 47 L C 2.364 179.237 176.870 0.005 0.000 1.074 47 L CA 2.360 57.203 54.840 0.006 0.000 0.745 47 L CB -1.203 40.859 42.059 0.006 0.000 0.898 47 L HN 0.274 nan 8.230 nan 0.000 0.433 48 G N -0.959 107.842 108.800 0.002 0.000 2.442 48 G HA2 -0.297 3.663 3.960 0.000 0.000 0.219 48 G HA3 -0.297 3.663 3.960 0.000 0.000 0.219 48 G C 1.253 176.157 174.900 0.006 0.000 1.141 48 G CA 0.973 46.075 45.100 0.003 0.000 0.763 48 G HN 0.440 nan 8.290 nan 0.000 0.554 49 D N 0.024 120.427 120.400 0.005 0.000 2.117 49 D HA -0.074 4.566 4.640 0.000 0.000 0.198 49 D C 2.245 178.550 176.300 0.007 0.000 0.982 49 D CA 0.968 54.971 54.000 0.006 0.000 0.828 49 D CB -0.294 40.509 40.800 0.005 0.000 0.967 49 D HN 0.496 nan 8.370 nan 0.000 0.464 50 E N 0.592 120.797 120.200 0.007 0.000 2.058 50 E HA -0.160 4.190 4.350 0.000 0.000 0.194 50 E C 2.286 178.892 176.600 0.009 0.000 0.997 50 E CA 0.677 57.082 56.400 0.008 0.000 0.801 50 E CB -0.146 29.559 29.700 0.008 0.000 0.746 50 E HN 0.241 nan 8.360 nan 0.000 0.450 51 L N 0.490 121.720 121.223 0.010 0.000 2.046 51 L HA -0.160 4.180 4.340 0.000 0.000 0.208 51 L C 2.711 179.588 176.870 0.012 0.000 1.077 51 L CA 1.674 56.521 54.840 0.012 0.000 0.747 51 L CB -0.665 41.402 42.059 0.014 0.000 0.896 51 L HN 0.218 nan 8.230 nan 0.000 0.432 52 T N 0.045 114.606 114.554 0.012 0.000 2.746 52 T HA -0.159 4.192 4.350 0.000 0.000 0.267 52 T C 2.010 176.716 174.700 0.010 0.000 1.039 52 T CA 1.284 63.392 62.100 0.012 0.000 1.142 52 T CB -0.257 68.618 68.868 0.013 0.000 0.866 52 T HN 0.443 nan 8.240 nan 0.000 0.444 53 A N 1.328 124.154 122.820 0.009 0.000 2.024 53 A HA 0.162 4.483 4.320 0.000 0.000 0.220 53 A C 2.443 180.032 177.584 0.008 0.000 1.164 53 A CA 1.655 53.697 52.037 0.008 0.000 0.643 53 A CB -0.790 18.215 19.000 0.007 0.000 0.806 53 A HN 0.521 nan 8.150 nan 0.000 0.451 54 A N -2.276 120.549 122.820 0.009 0.000 2.208 54 A HA 0.423 4.743 4.320 0.000 0.000 0.209 54 A C 1.703 179.293 177.584 0.010 0.000 1.161 54 A CA 1.258 53.301 52.037 0.009 0.000 0.782 54 A CB -0.590 18.417 19.000 0.010 0.000 0.816 54 A HN 1.795 nan 8.150 nan 0.000 0.477 55 G N -2.514 106.292 108.800 0.010 0.000 2.192 55 G HA2 0.189 4.149 3.960 0.000 0.000 0.193 55 G HA3 0.189 4.149 3.960 0.000 0.000 0.193 55 G C 0.340 175.246 174.900 0.011 0.000 0.999 55 G CA 0.057 45.163 45.100 0.010 0.000 0.659 55 G HN 1.425 nan 8.290 nan 0.000 0.503 56 A N 0.253 123.080 122.820 0.012 0.000 2.302 56 A HA 0.708 5.028 4.320 0.000 0.000 0.285 56 A C 0.433 178.026 177.584 0.016 0.000 1.105 56 A CA -0.139 51.906 52.037 0.014 0.000 0.816 56 A CB 0.694 19.704 19.000 0.016 0.000 1.067 56 A HN 0.257 nan 8.150 nan 0.000 0.489 57 K N 1.185 121.595 120.400 0.017 0.000 2.258 57 K HA 0.510 4.831 4.320 0.000 0.000 0.284 57 K C -1.322 175.298 176.600 0.033 0.000 1.051 57 K CA -0.125 56.175 56.287 0.022 0.000 0.923 57 K CB 0.852 33.361 32.500 0.015 0.000 1.046 57 K HN 0.451 nan 8.250 nan 0.000 0.474 58 V N 3.491 123.432 119.914 0.044 0.000 2.656 58 V HA 0.199 4.319 4.120 0.000 0.000 0.307 58 V C -0.947 175.212 176.094 0.108 0.000 1.051 58 V CA -0.965 61.370 62.300 0.058 0.000 0.893 58 V CB 1.470 33.312 31.823 0.033 0.000 0.999 58 V HN 0.747 nan 8.190 nan 0.000 0.426 59 H N 2.956 122.024 119.070 -0.004 0.000 2.539 59 H HA 0.665 5.221 4.556 0.000 0.000 0.332 59 H C -1.019 174.308 175.328 -0.003 0.000 1.031 59 H CA -0.451 55.594 56.048 -0.005 0.000 1.206 59 H CB 1.702 31.457 29.762 -0.011 0.000 1.446 59 H HN 0.417 nan 8.280 nan 0.000 0.496 60 V N 7.391 127.090 119.914 -0.357 0.000 2.432 60 V HA 0.220 4.340 4.120 0.000 0.000 0.275 60 V C -0.022 175.830 176.094 -0.403 0.000 1.043 60 V CA -0.515 61.617 62.300 -0.280 0.000 0.925 60 V CB 0.843 32.580 31.823 -0.143 0.000 0.985 60 V HN 0.643 nan 8.190 nan 0.000 0.466 61 L N 4.573 125.652 121.223 -0.240 0.000 2.342 61 L HA 0.488 4.828 4.340 0.000 0.000 0.276 61 L C 0.180 177.000 176.870 -0.083 0.000 0.997 61 L CA -0.251 54.488 54.840 -0.167 0.000 0.838 61 L CB 1.689 43.689 42.059 -0.098 0.000 1.224 61 L HN 0.642 nan 8.230 nan 0.000 0.416 62 E N 3.973 124.133 120.200 -0.066 0.000 2.257 62 E HA 0.409 4.759 4.350 0.000 0.000 0.278 62 E C -1.327 175.261 176.600 -0.020 0.000 1.049 62 E CA -0.405 55.974 56.400 -0.034 0.000 0.876 62 E CB 0.950 30.634 29.700 -0.027 0.000 1.035 62 E HN 0.367 nan 8.360 nan 0.000 0.419 63 L N 4.963 126.180 121.223 -0.010 0.000 2.588 63 L HA 0.302 4.642 4.340 0.000 0.000 0.263 63 L C -1.801 175.074 176.870 0.008 0.000 0.935 63 L CA -0.595 54.246 54.840 0.002 0.000 0.891 63 L CB 2.090 44.152 42.059 0.006 0.000 1.318 63 L HN 0.448 nan 8.230 nan 0.000 0.409 64 D N 3.507 123.916 120.400 0.015 0.000 2.359 64 D HA 0.157 4.797 4.640 0.000 0.000 0.230 64 D C 0.779 177.103 176.300 0.041 0.000 1.118 64 D CA 0.052 54.065 54.000 0.022 0.000 0.844 64 D CB 1.988 42.801 40.800 0.022 0.000 1.059 64 D HN 0.417 nan 8.370 nan 0.000 0.493 65 V N 4.430 124.371 119.914 0.044 0.000 2.759 65 V HA -0.160 3.960 4.120 0.000 0.000 0.256 65 V C 2.054 178.226 176.094 0.130 0.000 1.080 65 V CA 2.200 64.543 62.300 0.072 0.000 1.101 65 V CB -0.324 31.527 31.823 0.047 0.000 0.698 65 V HN 0.691 nan 8.190 nan 0.000 0.477 66 A N -0.491 122.390 122.820 0.101 0.000 2.121 66 A HA -0.099 4.221 4.320 0.000 0.000 0.218 66 A C 1.251 178.963 177.584 0.212 0.000 1.154 66 A CA 1.113 53.234 52.037 0.139 0.000 0.679 66 A CB -0.355 18.689 19.000 0.072 0.000 0.795 66 A HN 0.609 nan 8.150 nan 0.000 0.458 67 D N -0.497 119.978 120.400 0.125 0.000 2.411 67 D HA 0.186 4.826 4.640 0.000 0.000 0.225 67 D C 1.177 177.452 176.300 -0.042 0.000 1.156 67 D CA -0.404 53.625 54.000 0.048 0.000 0.874 67 D CB 0.392 41.205 40.800 0.021 0.000 1.034 67 D HN 0.233 nan 8.370 nan 0.000 0.502 68 R N 2.745 123.100 120.500 -0.243 0.000 2.083 68 R HA -0.227 4.113 4.340 0.000 0.000 0.237 68 R C 1.302 177.437 176.300 -0.275 0.000 1.137 68 R CA 1.640 57.387 56.100 -0.589 0.000 0.951 68 R CB 0.199 29.885 30.300 -1.024 0.000 0.851 68 R HN 0.446 nan 8.270 nan 0.000 0.434 69 Q N -0.650 119.045 119.800 -0.174 0.000 2.045 69 Q HA -0.121 4.220 4.340 0.000 0.000 0.206 69 Q C 2.061 178.027 176.000 -0.057 0.000 0.991 69 Q CA 2.087 57.833 55.803 -0.095 0.000 0.851 69 Q CB -0.819 27.880 28.738 -0.064 0.000 0.911 69 Q HN 0.578 nan 8.270 nan 0.000 0.418 70 G N -0.337 108.439 108.800 -0.041 0.000 2.469 70 G HA2 -0.251 3.710 3.960 0.000 0.000 0.220 70 G HA3 -0.251 3.710 3.960 0.000 0.000 0.220 70 G C 1.502 176.400 174.900 -0.003 0.000 1.136 70 G CA 1.070 46.162 45.100 -0.013 0.000 0.759 70 G HN 0.274 nan 8.290 nan 0.000 0.562 71 V N 1.318 121.225 119.914 -0.011 0.000 2.261 71 V HA -0.156 3.964 4.120 0.000 0.000 0.246 71 V C 2.614 178.718 176.094 0.017 0.000 1.047 71 V CA 2.294 64.604 62.300 0.016 0.000 1.015 71 V CB -0.440 31.404 31.823 0.036 0.000 0.642 71 V HN 0.288 nan 8.190 nan 0.000 0.446 72 D N 0.436 120.829 120.400 -0.011 0.000 2.149 72 D HA -0.130 4.510 4.640 0.000 0.000 0.198 72 D C 2.133 178.447 176.300 0.023 0.000 0.990 72 D CA 1.610 55.615 54.000 0.008 0.000 0.839 72 D CB -0.362 40.427 40.800 -0.018 0.000 0.948 72 D HN 0.461 nan 8.370 nan 0.000 0.460 73 A N 0.683 123.511 122.820 0.013 0.000 1.968 73 A HA 0.091 4.411 4.320 0.000 0.000 0.217 73 A C 2.265 179.872 177.584 0.038 0.000 1.169 73 A CA 1.745 53.795 52.037 0.022 0.000 0.638 73 A CB -0.543 18.465 19.000 0.014 0.000 0.812 73 A HN 0.222 nan 8.150 nan 0.000 0.446 74 A N -0.454 122.389 122.820 0.039 0.000 1.898 74 A HA 0.041 4.361 4.320 0.000 0.000 0.216 74 A C 2.210 179.828 177.584 0.057 0.000 1.181 74 A CA 1.661 53.731 52.037 0.056 0.000 0.620 74 A CB -0.862 18.164 19.000 0.042 0.000 0.819 74 A HN 0.332 nan 8.150 nan 0.000 0.442 75 V N -0.017 119.922 119.914 0.042 0.000 2.261 75 V HA -0.270 3.850 4.120 0.000 0.000 0.246 75 V C 3.092 179.161 176.094 -0.042 0.000 1.047 75 V CA 2.044 64.353 62.300 0.015 0.000 1.015 75 V CB -1.323 30.544 31.823 0.074 0.000 0.642 75 V HN 0.614 nan 8.190 nan 0.000 0.446 76 A N -0.844 121.981 122.820 0.007 0.000 1.883 76 A HA -0.279 4.041 4.320 0.000 0.000 0.217 76 A C 2.546 180.107 177.584 -0.038 0.000 1.186 76 A CA 2.450 54.483 52.037 -0.006 0.000 0.624 76 A CB -0.963 18.055 19.000 0.030 0.000 0.822 76 A HN 0.465 nan 8.150 nan 0.000 0.444 77 S N -1.170 114.532 115.700 0.003 0.000 2.370 77 S HA -0.156 4.314 4.470 0.000 0.000 0.226 77 S C 2.101 176.603 174.600 -0.163 0.000 1.033 77 S CA 2.165 60.374 58.200 0.015 0.000 1.011 77 S CB -0.544 62.776 63.200 0.198 0.000 0.852 77 S HN 0.689 nan 8.310 nan 0.000 0.457 78 T N 1.402 115.895 114.554 -0.101 0.000 2.708 78 T HA -0.058 4.292 4.350 0.000 0.000 0.266 78 T C 1.835 176.400 174.700 -0.225 0.000 1.037 78 T CA 1.524 63.519 62.100 -0.175 0.000 1.146 78 T CB -0.436 68.423 68.868 -0.015 0.000 0.865 78 T HN 0.259 nan 8.240 nan 0.000 0.435 79 V N 1.405 121.189 119.914 -0.216 0.000 2.407 79 V HA -0.137 3.984 4.120 0.000 0.000 0.248 79 V C 2.560 178.564 176.094 -0.149 0.000 1.055 79 V CA 1.824 63.995 62.300 -0.215 0.000 1.049 79 V CB -0.598 31.030 31.823 -0.326 0.000 0.662 79 V HN 0.422 nan 8.190 nan 0.000 0.455 80 E N 1.108 121.223 120.200 -0.142 0.000 2.031 80 E HA -0.179 4.172 4.350 0.000 0.000 0.193 80 E C 2.132 178.642 176.600 -0.149 0.000 0.994 80 E CA 1.867 58.198 56.400 -0.115 0.000 0.800 80 E CB -0.501 29.144 29.700 -0.091 0.000 0.752 80 E HN 0.487 nan 8.360 nan 0.000 0.447 81 A N -0.139 122.525 122.820 -0.260 0.000 1.929 81 A HA 0.012 4.333 4.320 0.000 0.000 0.216 81 A C 2.067 179.538 177.584 -0.187 0.000 1.176 81 A CA 1.353 53.214 52.037 -0.293 0.000 0.628 81 A CB -0.200 18.396 19.000 -0.673 0.000 0.816 81 A HN 0.337 nan 8.150 nan 0.000 0.444 82 L N -2.923 118.195 121.223 -0.176 0.000 2.817 82 L HA 0.343 4.683 4.340 0.000 0.000 0.248 82 L C 1.606 178.432 176.870 -0.074 0.000 1.133 82 L CA 0.532 55.311 54.840 -0.102 0.000 0.935 82 L CB 0.518 42.528 42.059 -0.082 0.000 1.266 82 L HN 0.549 nan 8.230 nan 0.000 0.535 83 G N -0.075 108.675 108.800 -0.083 0.000 2.284 83 G HA2 -0.110 3.850 3.960 0.000 0.000 0.216 83 G HA3 -0.110 3.850 3.960 0.000 0.000 0.216 83 G C 0.420 175.290 174.900 -0.051 0.000 1.009 83 G CA -0.198 44.868 45.100 -0.055 0.000 0.625 83 G HN 0.667 nan 8.290 nan 0.000 0.501 84 G N -1.283 107.474 108.800 -0.071 0.000 2.348 84 G HA2 0.613 4.573 3.960 0.000 0.000 0.296 84 G HA3 0.613 4.573 3.960 0.000 0.000 0.296 84 G C -2.307 172.542 174.900 -0.085 0.000 1.258 84 G CA 0.173 45.234 45.100 -0.066 0.000 0.868 84 G HN 1.418 nan 8.290 nan 0.000 0.488 85 L N 0.576 121.778 121.223 -0.034 0.000 2.516 85 L HA 0.629 4.969 4.340 0.000 0.000 0.267 85 L C -0.405 176.484 176.870 0.031 0.000 0.957 85 L CA -0.494 54.339 54.840 -0.012 0.000 0.860 85 L CB 1.893 43.937 42.059 -0.024 0.000 1.265 85 L HN 0.650 nan 8.230 nan 0.000 0.403 86 D N 4.254 124.667 120.400 0.022 0.000 2.431 86 D HA 0.318 4.959 4.640 0.000 0.000 0.227 86 D C -0.009 176.311 176.300 0.033 0.000 1.030 86 D CA 0.904 54.920 54.000 0.027 0.000 0.897 86 D CB 1.395 42.205 40.800 0.016 0.000 1.058 86 D HN 0.315 nan 8.370 nan 0.000 0.500 87 I N 1.641 122.229 120.570 0.029 0.000 2.534 87 I HA 0.215 4.385 4.170 0.000 0.000 0.288 87 I C -1.358 174.779 176.117 0.034 0.000 1.077 87 I CA -0.876 60.442 61.300 0.030 0.000 1.051 87 I CB 2.963 40.976 38.000 0.022 0.000 1.234 87 I HN -0.191 nan 8.210 nan 0.000 0.425 88 L N 8.238 129.486 121.223 0.040 0.000 2.313 88 L HA 0.659 4.999 4.340 0.000 0.000 0.283 88 L C -1.086 175.807 176.870 0.039 0.000 1.013 88 L CA -0.391 54.476 54.840 0.045 0.000 0.816 88 L CB 1.765 43.860 42.059 0.060 0.000 1.236 88 L HN 0.327 nan 8.230 nan 0.000 0.419 89 V N 5.126 125.061 119.914 0.035 0.000 2.313 89 V HA 0.416 4.537 4.120 0.000 0.000 0.278 89 V C -0.123 175.990 176.094 0.031 0.000 1.017 89 V CA -0.661 61.657 62.300 0.030 0.000 0.823 89 V CB 0.961 32.799 31.823 0.025 0.000 1.010 89 V HN 0.712 nan 8.190 nan 0.000 0.443 90 N N 4.653 123.372 118.700 0.032 0.000 2.807 90 N HA 0.098 4.838 4.740 0.000 0.000 0.259 90 N C 0.899 176.418 175.510 0.016 0.000 1.149 90 N CA 0.102 53.168 53.050 0.027 0.000 1.042 90 N CB 0.480 38.987 38.487 0.033 0.000 1.367 90 N HN 0.717 nan 8.380 nan 0.000 0.516 91 N N 0.974 119.684 118.700 0.017 0.000 2.368 91 N HA -0.002 4.738 4.740 0.000 0.000 0.178 91 N C 0.081 175.600 175.510 0.015 0.000 1.076 91 N CA -0.149 52.911 53.050 0.017 0.000 0.889 91 N CB 0.459 38.959 38.487 0.021 0.000 1.040 91 N HN 0.272 nan 8.380 nan 0.000 0.463 92 A N 0.660 123.486 122.820 0.010 0.000 2.580 92 A HA 0.453 4.774 4.320 0.000 0.000 0.244 92 A C 0.539 178.124 177.584 0.002 0.000 1.045 92 A CA 0.808 52.847 52.037 0.003 0.000 0.761 92 A CB -0.439 18.562 19.000 0.002 0.000 0.962 92 A HN 0.440 nan 8.150 nan 0.000 0.512 93 G N 0.939 109.740 108.800 0.001 0.000 2.632 93 G HA2 0.607 4.567 3.960 0.000 0.000 0.292 93 G HA3 0.607 4.567 3.960 0.000 0.000 0.292 93 G C -0.809 174.091 174.900 0.001 0.000 1.465 93 G CA -0.104 45.010 45.100 0.023 0.000 0.824 93 G HN 1.479 nan 8.290 nan 0.000 0.509 97 L N 2.224 123.390 121.223 -0.095 0.000 2.379 97 L HA 1.006 5.346 4.340 0.000 0.000 0.269 97 L C 0.753 177.612 176.870 -0.017 0.000 1.084 97 L CA -0.420 54.370 54.840 -0.083 0.000 0.802 97 L CB 1.670 43.623 42.059 -0.176 0.000 1.175 97 L HN 0.717 nan 8.230 nan 0.000 0.448 98 G N 1.425 110.193 108.800 -0.054 0.000 2.340 98 G HA2 0.244 4.204 3.960 0.000 0.000 0.300 98 G HA3 0.244 4.204 3.960 0.000 0.000 0.300 98 G C -3.242 171.551 174.900 -0.177 0.000 1.488 98 G CA -0.805 44.160 45.100 -0.227 0.000 0.878 98 G HN 0.302 nan 8.290 nan 0.000 0.618 99 P HA 0.232 nan 4.420 nan 0.000 0.270 99 P C 1.227 178.533 177.300 0.010 0.000 1.223 99 P CA -0.244 62.793 63.100 -0.104 0.000 0.785 99 P CB 1.226 32.861 31.700 -0.109 0.000 0.923 100 V N 0.418 120.377 119.914 0.075 0.000 2.358 100 V HA -0.156 3.964 4.120 0.000 0.000 0.246 100 V C 1.444 177.653 176.094 0.192 0.000 1.047 100 V CA 1.428 63.851 62.300 0.205 0.000 1.035 100 V CB -1.110 30.779 31.823 0.109 0.000 0.658 100 V HN 0.659 nan 8.190 nan 0.000 0.452 101 E N 1.013 121.266 120.200 0.089 0.000 2.585 101 E HA -0.134 4.216 4.350 0.000 0.000 0.252 101 E C 0.011 176.636 176.600 0.041 0.000 0.981 101 E CA 0.166 56.603 56.400 0.062 0.000 0.943 101 E CB -0.019 29.704 29.700 0.039 0.000 0.923 101 E HN 0.457 nan 8.360 nan 0.000 0.486 102 D N 1.441 121.858 120.400 0.028 0.000 2.811 102 D HA -0.228 4.412 4.640 0.000 0.000 0.231 102 D C -0.410 175.870 176.300 -0.033 0.000 1.157 102 D CA 1.099 55.097 54.000 -0.003 0.000 0.716 102 D CB -1.492 39.318 40.800 0.017 0.000 1.077 102 D HN 0.544 nan 8.370 nan 0.000 0.428 103 A N 0.477 123.261 122.820 -0.060 0.000 2.483 103 A HA 0.196 4.516 4.320 0.000 0.000 0.238 103 A C 0.597 178.010 177.584 -0.285 0.000 1.070 103 A CA 0.030 51.990 52.037 -0.129 0.000 0.770 103 A CB 0.470 19.449 19.000 -0.035 0.000 1.008 103 A HN 0.102 nan 8.150 nan 0.000 0.497 104 D N 1.904 122.176 120.400 -0.212 0.000 2.342 104 D HA 0.083 4.723 4.640 0.000 0.000 0.260 104 D C 1.592 177.611 176.300 -0.468 0.000 1.278 104 D CA 0.746 54.602 54.000 -0.239 0.000 0.910 104 D CB 0.640 41.380 40.800 -0.100 0.000 1.079 104 D HN 0.563 nan 8.370 nan 0.000 0.496 105 T N -0.327 113.872 114.554 -0.591 0.000 3.072 105 T HA -0.161 4.189 4.350 0.000 0.000 0.266 105 T C 1.789 176.276 174.700 -0.355 0.000 1.127 105 T CA 1.273 62.871 62.100 -0.835 0.000 1.107 105 T CB -0.397 68.060 68.868 -0.686 0.000 0.910 105 T HN 0.435 nan 8.240 nan 0.000 0.513 106 T N -0.127 114.306 114.554 -0.201 0.000 2.915 106 T HA -0.135 4.215 4.350 0.000 0.000 0.269 106 T C 1.492 176.185 174.700 -0.011 0.000 1.071 106 T CA 1.213 63.271 62.100 -0.070 0.000 1.132 106 T CB -0.634 68.204 68.868 -0.049 0.000 0.878 106 T HN 0.213 nan 8.240 nan 0.000 0.479 107 D N 0.670 121.052 120.400 -0.031 0.000 2.116 107 D HA -0.089 4.551 4.640 0.000 0.000 0.193 107 D C 1.653 178.100 176.300 0.245 0.000 0.998 107 D CA 1.184 55.238 54.000 0.090 0.000 0.836 107 D CB -0.352 40.515 40.800 0.111 0.000 0.951 107 D HN 0.547 nan 8.370 nan 0.000 0.449 108 W N 0.920 122.222 121.300 0.003 0.000 2.379 108 W HA -0.052 4.608 4.660 0.000 0.000 0.307 108 W C 2.652 179.169 176.519 -0.003 0.000 1.200 108 W CA 1.689 59.035 57.345 0.002 0.000 1.297 108 W CB -1.752 27.706 29.460 -0.003 0.000 1.140 108 W HN 0.091 nan 8.180 nan 0.000 0.507 109 T N -1.002 113.692 114.554 0.232 0.000 2.821 109 T HA -0.054 4.297 4.350 0.000 0.000 0.267 109 T C 1.352 176.101 174.700 0.082 0.000 1.046 109 T CA 0.554 62.730 62.100 0.127 0.000 1.139 109 T CB -0.261 68.655 68.868 0.080 0.000 0.871 109 T HN -0.090 nan 8.240 nan 0.000 0.454 113 D N 1.247 121.629 120.400 -0.030 0.000 2.123 113 D HA -0.125 4.515 4.640 0.000 0.000 0.196 113 D C 1.888 178.151 176.300 -0.061 0.000 0.992 113 D CA 2.277 56.251 54.000 -0.044 0.000 0.833 113 D CB -0.027 40.776 40.800 0.005 0.000 0.954 113 D HN 0.312 nan 8.370 nan 0.000 0.455 114 T N 0.394 114.926 114.554 -0.035 0.000 2.837 114 T HA -0.017 4.333 4.350 0.000 0.000 0.248 114 T C 1.572 176.240 174.700 -0.053 0.000 1.033 114 T CA 0.584 62.666 62.100 -0.031 0.000 1.150 114 T CB -0.124 68.736 68.868 -0.013 0.000 0.865 114 T HN 0.012 nan 8.240 nan 0.000 0.425 115 N N 0.986 119.659 118.700 -0.045 0.000 2.270 115 N HA 0.062 4.802 4.740 0.000 0.000 0.181 115 N C 1.464 176.902 175.510 -0.120 0.000 1.016 115 N CA 0.608 53.623 53.050 -0.059 0.000 0.870 115 N CB -0.212 38.255 38.487 -0.034 0.000 0.979 115 N HN 0.182 nan 8.380 nan 0.000 0.431 116 L N -0.576 120.554 121.223 -0.154 0.000 2.630 116 L HA 0.263 4.603 4.340 0.000 0.000 0.180 116 L C 1.767 178.435 176.870 -0.337 0.000 1.221 116 L CA 0.496 55.199 54.840 -0.229 0.000 0.853 116 L CB -1.057 40.887 42.059 -0.192 0.000 1.172 116 L HN -0.080 nan 8.230 nan 0.000 0.508 117 L N 0.301 121.314 121.223 -0.351 0.000 2.012 117 L HA -0.068 4.273 4.340 0.000 0.000 0.210 117 L C 2.250 178.716 176.870 -0.673 0.000 1.073 117 L CA 2.293 56.783 54.840 -0.585 0.000 0.748 117 L CB -1.329 40.403 42.059 -0.544 0.000 0.891 117 L HN 0.425 nan 8.230 nan 0.000 0.431 118 G N -0.862 107.738 108.800 -0.333 0.000 2.418 118 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 118 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 118 G C 1.047 175.898 174.900 -0.081 0.000 1.158 118 G CA 0.677 45.712 45.100 -0.109 0.000 0.771 118 G HN 0.350 nan 8.290 nan 0.000 0.545 124 R N 1.734 122.353 120.500 0.198 0.000 2.081 124 R HA 0.078 4.419 4.340 0.000 0.000 0.235 124 R C 2.402 178.770 176.300 0.114 0.000 1.131 124 R CA 1.933 58.128 56.100 0.159 0.000 0.960 124 R CB -0.428 29.979 30.300 0.178 0.000 0.856 124 R HN 0.364 nan 8.270 nan 0.000 0.436 125 A N 0.552 123.445 122.820 0.121 0.000 1.930 125 A HA -0.040 4.280 4.320 0.000 0.000 0.217 125 A C 2.287 179.960 177.584 0.148 0.000 1.175 125 A CA 1.553 53.656 52.037 0.109 0.000 0.627 125 A CB -0.600 18.460 19.000 0.099 0.000 0.815 125 A HN 0.544 nan 8.150 nan 0.000 0.443 126 A N -0.970 121.942 122.820 0.153 0.000 2.016 126 A HA 0.148 4.468 4.320 0.000 0.000 0.217 126 A C 1.978 179.653 177.584 0.152 0.000 1.162 126 A CA 1.275 53.426 52.037 0.190 0.000 0.662 126 A CB -0.452 18.629 19.000 0.135 0.000 0.812 126 A HN 0.462 nan 8.150 nan 0.000 0.450 127 L N 0.572 121.848 121.223 0.089 0.000 2.013 127 L HA -0.091 4.250 4.340 0.000 0.000 0.212 127 L C -0.710 176.154 176.870 -0.011 0.000 1.073 127 L CA 2.426 57.293 54.840 0.045 0.000 0.753 127 L CB -1.258 40.825 42.059 0.041 0.000 0.890 127 L HN 0.161 nan 8.230 nan 0.000 0.432 128 P HA -0.188 nan 4.420 nan 0.000 0.216 128 P C 1.341 178.516 177.300 -0.208 0.000 1.153 128 P CA 1.731 64.710 63.100 -0.201 0.000 0.858 128 P CB -0.263 31.218 31.700 -0.365 0.000 0.789 129 H N -1.323 117.757 119.070 0.016 0.000 2.395 129 H HA 0.072 4.628 4.556 0.000 0.000 0.299 129 H C 2.084 177.420 175.328 0.012 0.000 1.070 129 H CA 0.944 56.999 56.048 0.012 0.000 1.356 129 H CB -0.747 29.023 29.762 0.013 0.000 1.401 129 H HN 0.165 nan 8.280 nan 0.000 0.524 130 L N 0.347 121.644 121.223 0.123 0.000 2.156 130 L HA -0.121 4.219 4.340 0.000 0.000 0.208 130 L C 2.557 179.457 176.870 0.050 0.000 1.095 130 L CA 0.504 55.392 54.840 0.080 0.000 0.770 130 L CB -0.395 41.709 42.059 0.074 0.000 0.914 130 L HN 0.124 nan 8.230 nan 0.000 0.439 131 L N -0.297 120.943 121.223 0.029 0.000 2.017 131 L HA -0.234 4.106 4.340 0.000 0.000 0.208 131 L C 2.857 179.732 176.870 0.009 0.000 1.073 131 L CA 1.385 56.233 54.840 0.013 0.000 0.745 131 L CB -0.454 41.601 42.059 -0.006 0.000 0.894 131 L HN 0.223 nan 8.230 nan 0.000 0.432 132 R N 0.103 120.608 120.500 0.008 0.000 2.081 132 R HA -0.171 4.169 4.340 0.000 0.000 0.235 132 R C 2.355 178.659 176.300 0.005 0.000 1.131 132 R CA 1.802 57.907 56.100 0.007 0.000 0.960 132 R CB -0.158 30.153 30.300 0.018 0.000 0.856 132 R HN 0.450 nan 8.270 nan 0.000 0.436 133 S N -0.010 115.701 115.700 0.019 0.000 2.558 133 S HA 0.086 4.556 4.470 0.000 0.000 0.217 133 S C 0.046 174.634 174.600 -0.020 0.000 0.975 133 S CA -0.062 58.141 58.200 0.004 0.000 0.912 133 S CB 0.269 63.483 63.200 0.024 0.000 0.776 133 S HN 0.238 nan 8.310 nan 0.000 0.526 134 K N 1.146 121.541 120.400 -0.009 0.000 3.148 134 K HA -0.111 4.209 4.320 0.000 0.000 0.267 134 K C 0.552 177.191 176.600 0.065 0.000 0.996 134 K CA 0.767 57.054 56.287 -0.000 0.000 0.737 134 K CB -2.567 29.819 32.500 -0.191 0.000 1.308 134 K HN 0.624 nan 8.250 nan 0.000 0.470 135 G N -0.182 108.659 108.800 0.069 0.000 2.510 135 G HA2 0.512 4.473 3.960 0.000 0.000 0.280 135 G HA3 0.512 4.473 3.960 0.000 0.000 0.280 135 G C -0.554 174.393 174.900 0.079 0.000 1.386 135 G CA -0.216 44.927 45.100 0.071 0.000 1.047 135 G HN 0.121 nan 8.290 nan 0.000 0.527 136 T N -0.651 113.936 114.554 0.055 0.000 2.881 136 T HA 0.425 4.775 4.350 0.000 0.000 0.290 136 T C -0.942 173.780 174.700 0.036 0.000 1.000 136 T CA -0.282 61.840 62.100 0.037 0.000 0.978 136 T CB 1.764 70.643 68.868 0.018 0.000 0.997 136 T HN 0.507 nan 8.240 nan 0.000 0.443 137 V N 4.884 124.820 119.914 0.036 0.000 2.394 137 V HA 0.654 4.774 4.120 0.000 0.000 0.282 137 V C -0.716 175.397 176.094 0.032 0.000 1.031 137 V CA -0.351 61.975 62.300 0.043 0.000 0.881 137 V CB 1.035 32.894 31.823 0.059 0.000 0.982 137 V HN 0.707 nan 8.190 nan 0.000 0.451 138 V N 8.026 127.957 119.914 0.027 0.000 2.347 138 V HA 0.509 4.629 4.120 0.000 0.000 0.280 138 V C 0.090 176.195 176.094 0.017 0.000 1.021 138 V CA -0.622 61.686 62.300 0.013 0.000 0.847 138 V CB 1.199 33.028 31.823 0.009 0.000 0.990 138 V HN 0.916 nan 8.190 nan 0.000 0.444 142 S N -0.567 115.035 115.700 -0.163 0.000 2.611 142 S HA 0.444 4.914 4.470 0.000 0.000 0.270 142 S C 0.381 174.885 174.600 -0.160 0.000 1.131 142 S CA 0.049 58.197 58.200 -0.088 0.000 0.826 142 S CB 0.607 63.761 63.200 -0.077 0.000 1.095 142 S HN 1.013 nan 8.310 nan 0.000 0.461 143 I N 2.587 123.153 120.570 -0.007 0.000 2.381 143 I HA -0.144 4.026 4.170 0.000 0.000 0.255 143 I C 2.066 178.128 176.117 -0.092 0.000 1.140 143 I CA 2.257 63.563 61.300 0.011 0.000 1.404 143 I CB -0.337 37.836 38.000 0.288 0.000 1.075 143 I HN 0.760 nan 8.210 nan 0.000 0.433 144 A N 0.013 122.797 122.820 -0.060 0.000 2.172 144 A HA 0.016 4.336 4.320 0.000 0.000 0.216 144 A C 2.093 179.537 177.584 -0.232 0.000 1.154 144 A CA 1.174 53.174 52.037 -0.062 0.000 0.701 144 A CB -0.975 17.970 19.000 -0.092 0.000 0.789 144 A HN 0.548 nan 8.150 nan 0.000 0.465 145 G N -1.817 106.678 108.800 -0.508 0.000 3.042 145 G HA2 0.138 4.099 3.960 0.000 0.000 0.212 145 G HA3 0.138 4.099 3.960 0.000 0.000 0.212 145 G C 1.401 175.333 174.900 -1.614 0.000 1.166 145 G CA -0.038 44.474 45.100 -0.980 0.000 0.767 145 G HN 0.334 nan 8.290 nan 0.000 0.546 146 R N -0.875 119.029 120.500 -0.994 0.000 2.383 146 R HA 0.265 4.605 4.340 0.000 0.000 0.205 146 R C -0.321 175.925 176.300 -0.089 0.000 0.875 146 R CA 0.282 55.980 56.100 -0.669 0.000 1.039 146 R CB 0.873 30.699 30.300 -0.790 0.000 1.267 146 R HN 0.175 nan 8.270 nan 0.000 0.635 147 V N 2.785 122.733 119.914 0.056 0.000 2.638 147 V HA 0.358 4.478 4.120 0.000 0.000 0.306 147 V C -0.766 175.483 176.094 0.258 0.000 1.052 147 V CA -1.127 61.298 62.300 0.207 0.000 0.885 147 V CB 2.464 34.394 31.823 0.177 0.000 0.999 147 V HN 0.092 nan 8.190 nan 0.000 0.424 148 N N 3.216 122.040 118.700 0.206 0.000 2.422 148 N HA 0.557 5.297 4.740 0.000 0.000 0.266 148 N C -0.382 175.183 175.510 0.091 0.000 1.007 148 N CA -0.099 53.025 53.050 0.122 0.000 0.941 148 N CB 2.347 40.837 38.487 0.005 0.000 1.115 148 N HN 0.664 nan 8.380 nan 0.000 0.492 149 V N 0.402 120.374 119.914 0.097 0.000 3.019 149 V HA 0.591 4.711 4.120 0.000 0.000 0.317 149 V C 0.539 176.670 176.094 0.061 0.000 1.094 149 V CA -1.218 61.131 62.300 0.082 0.000 1.000 149 V CB 1.693 33.580 31.823 0.106 0.000 1.060 149 V HN 0.454 nan 8.190 nan 0.000 0.443 150 R N 1.954 122.485 120.500 0.051 0.000 2.698 150 R HA 0.217 4.557 4.340 0.000 0.000 0.266 150 R C 0.472 176.795 176.300 0.038 0.000 1.026 150 R CA 0.823 56.945 56.100 0.036 0.000 1.102 150 R CB -0.152 30.169 30.300 0.035 0.000 0.978 150 R HN 0.974 nan 8.270 nan 0.000 0.436 151 N N -0.333 118.377 118.700 0.017 0.000 2.782 151 N HA -0.209 4.531 4.740 0.000 0.000 0.251 151 N C -0.712 174.801 175.510 0.004 0.000 1.101 151 N CA 1.376 54.427 53.050 0.002 0.000 0.764 151 N CB -0.925 37.566 38.487 0.008 0.000 1.122 151 N HN 0.720 nan 8.380 nan 0.000 0.561 152 A N -1.458 121.378 122.820 0.026 0.000 2.568 152 A HA 0.726 5.047 4.320 0.000 0.000 0.287 152 A C 1.576 179.197 177.584 0.061 0.000 0.967 152 A CA 0.765 52.841 52.037 0.065 0.000 1.004 152 A CB 0.214 19.285 19.000 0.118 0.000 1.233 152 A HN 0.346 nan 8.150 nan 0.000 0.513 153 A N -0.187 122.627 122.820 -0.010 0.000 1.865 153 A HA -0.054 4.266 4.320 0.000 0.000 0.217 153 A C 1.936 179.439 177.584 -0.136 0.000 1.191 153 A CA 2.340 54.327 52.037 -0.084 0.000 0.623 153 A CB -0.642 18.281 19.000 -0.128 0.000 0.826 153 A HN 0.622 nan 8.150 nan 0.000 0.444 154 V N -1.743 118.061 119.914 -0.183 0.000 2.488 154 V HA -0.177 3.944 4.120 0.000 0.000 0.246 154 V C 2.295 178.357 176.094 -0.054 0.000 1.046 154 V CA 1.679 63.826 62.300 -0.255 0.000 1.053 154 V CB -0.989 30.516 31.823 -0.530 0.000 0.679 154 V HN 0.667 nan 8.190 nan 0.000 0.458 155 Y N 1.520 121.768 120.300 -0.087 0.000 2.128 155 Y HA -0.319 4.231 4.550 0.000 0.000 0.284 155 Y C 2.615 178.506 175.900 -0.015 0.000 1.154 155 Y CA 2.091 60.165 58.100 -0.044 0.000 1.149 155 Y CB -0.435 38.003 38.460 -0.038 0.000 0.976 155 Y HN 0.300 nan 8.280 nan 0.000 0.505 156 Q N -0.328 119.468 119.800 -0.006 0.000 2.096 156 Q HA -0.189 4.152 4.340 0.000 0.000 0.204 156 Q C 2.533 178.565 176.000 0.052 0.000 0.982 156 Q CA 1.670 57.486 55.803 0.021 0.000 0.850 156 Q CB -0.470 28.334 28.738 0.109 0.000 0.901 156 Q HN 0.599 nan 8.270 nan 0.000 0.422 157 A N 0.862 123.646 122.820 -0.060 0.000 1.892 157 A HA -0.277 4.043 4.320 0.000 0.000 0.218 157 A C 2.351 179.901 177.584 -0.056 0.000 1.188 157 A CA 2.264 54.250 52.037 -0.085 0.000 0.631 157 A CB -1.400 17.505 19.000 -0.159 0.000 0.822 157 A HN 0.587 nan 8.150 nan 0.000 0.447 158 T N -2.522 111.971 114.554 -0.102 0.000 2.746 158 T HA -0.140 4.210 4.350 0.000 0.000 0.267 158 T C 1.820 176.437 174.700 -0.139 0.000 1.039 158 T CA 1.569 63.597 62.100 -0.120 0.000 1.142 158 T CB -0.203 68.594 68.868 -0.118 0.000 0.866 158 T HN 0.348 nan 8.240 nan 0.000 0.444 159 K N 0.309 120.588 120.400 -0.202 0.000 2.098 159 K HA 0.197 4.517 4.320 0.000 0.000 0.203 159 K C 1.988 178.481 176.600 -0.178 0.000 1.051 159 K CA 0.604 56.742 56.287 -0.248 0.000 0.957 159 K CB -0.759 31.489 32.500 -0.420 0.000 0.738 159 K HN 0.423 nan 8.250 nan 0.000 0.447 160 F N 1.458 121.301 119.950 -0.179 0.000 2.126 160 F HA -0.167 4.360 4.527 0.001 0.000 0.299 160 F C 2.470 178.217 175.800 -0.089 0.000 1.096 160 F CA 1.671 59.595 58.000 -0.126 0.000 1.255 160 F CB -0.913 38.019 39.000 -0.113 0.000 0.997 160 F HN 0.171 nan 8.300 nan 0.000 0.479 161 G N -0.263 108.588 108.800 0.085 0.000 2.446 161 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 161 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 161 G C 1.854 176.776 174.900 0.037 0.000 1.168 161 G CA 1.181 46.302 45.100 0.035 0.000 0.771 161 G HN 0.242 nan 8.290 nan 0.000 0.551 162 V N 1.624 121.526 119.914 -0.021 0.000 2.282 162 V HA -0.270 3.850 4.120 0.000 0.000 0.249 162 V C 2.747 178.879 176.094 0.062 0.000 1.057 162 V CA 2.247 64.551 62.300 0.007 0.000 1.032 162 V CB -0.584 31.198 31.823 -0.068 0.000 0.645 162 V HN 0.331 nan 8.190 nan 0.000 0.447 163 N N 0.332 119.015 118.700 -0.029 0.000 2.084 163 N HA -0.113 4.627 4.740 0.000 0.000 0.190 163 N C 1.855 177.383 175.510 0.030 0.000 1.030 163 N CA 1.733 54.750 53.050 -0.055 0.000 0.849 163 N CB -0.706 37.673 38.487 -0.181 0.000 1.012 163 N HN 0.492 nan 8.380 nan 0.000 0.423 164 A N 0.539 123.397 122.820 0.064 0.000 1.858 164 A HA -0.145 4.176 4.320 0.000 0.000 0.216 164 A C 2.148 179.792 177.584 0.100 0.000 1.190 164 A CA 1.226 53.312 52.037 0.081 0.000 0.617 164 A CB -1.177 17.876 19.000 0.088 0.000 0.827 164 A HN 0.310 nan 8.150 nan 0.000 0.443 165 F N 1.596 121.541 119.950 -0.008 0.000 2.087 165 F HA -0.234 4.293 4.527 0.000 0.000 0.299 165 F C 2.480 178.285 175.800 0.008 0.000 1.100 165 F CA 2.149 60.144 58.000 -0.008 0.000 1.226 165 F CB -0.334 38.652 39.000 -0.023 0.000 0.983 165 F HN 0.203 nan 8.300 nan 0.000 0.479 166 S N -0.554 115.173 115.700 0.044 0.000 2.395 166 S HA -0.145 4.325 4.470 0.000 0.000 0.225 166 S C 1.756 176.374 174.600 0.030 0.000 1.027 166 S CA 0.991 59.182 58.200 -0.015 0.000 0.965 166 S CB -0.306 62.945 63.200 0.085 0.000 0.812 166 S HN 0.496 nan 8.310 nan 0.000 0.482 167 E N 1.992 122.241 120.200 0.082 0.000 2.077 167 E HA -0.122 4.228 4.350 0.000 0.000 0.193 167 E C 1.847 178.395 176.600 -0.086 0.000 0.989 167 E CA 1.953 58.383 56.400 0.049 0.000 0.800 167 E CB -0.813 28.936 29.700 0.083 0.000 0.746 167 E HN 0.404 nan 8.360 nan 0.000 0.452 168 T N 1.219 115.709 114.554 -0.107 0.000 2.737 168 T HA -0.131 4.219 4.350 0.000 0.000 0.265 168 T C 1.753 176.330 174.700 -0.205 0.000 1.038 168 T CA 1.200 63.215 62.100 -0.141 0.000 1.144 168 T CB -0.477 68.315 68.868 -0.127 0.000 0.866 168 T HN 0.174 nan 8.240 nan 0.000 0.434 169 L N 1.601 122.625 121.223 -0.331 0.000 2.013 169 L HA -0.090 4.250 4.340 0.000 0.000 0.212 169 L C 2.554 179.313 176.870 -0.185 0.000 1.073 169 L CA 1.818 56.457 54.840 -0.335 0.000 0.753 169 L CB -0.543 41.229 42.059 -0.478 0.000 0.890 169 L HN 0.085 nan 8.230 nan 0.000 0.432 170 R N -0.782 119.626 120.500 -0.153 0.000 2.080 170 R HA -0.229 4.111 4.340 0.000 0.000 0.236 170 R C 2.278 178.493 176.300 -0.140 0.000 1.137 170 R CA 2.259 58.270 56.100 -0.147 0.000 0.943 170 R CB -0.371 29.778 30.300 -0.252 0.000 0.846 170 R HN 0.593 nan 8.270 nan 0.000 0.431 171 Q N -0.057 119.658 119.800 -0.141 0.000 2.152 171 Q HA -0.209 4.132 4.340 0.000 0.000 0.206 171 Q C 1.934 177.882 176.000 -0.086 0.000 0.985 171 Q CA 2.037 57.776 55.803 -0.108 0.000 0.863 171 Q CB -0.049 28.632 28.738 -0.095 0.000 0.904 171 Q HN 0.549 nan 8.270 nan 0.000 0.422 172 E N -0.259 119.885 120.200 -0.093 0.000 2.158 172 E HA -0.107 4.243 4.350 0.000 0.000 0.191 172 E C 1.774 178.339 176.600 -0.059 0.000 0.982 172 E CA 1.403 57.759 56.400 -0.074 0.000 0.823 172 E CB 0.355 30.004 29.700 -0.085 0.000 0.766 172 E HN 0.343 nan 8.360 nan 0.000 0.468 173 V N -3.582 116.294 119.914 -0.064 0.000 3.502 173 V HA 0.152 4.273 4.120 0.000 0.000 0.288 173 V C 1.840 177.915 176.094 -0.031 0.000 1.461 173 V CA 0.472 62.747 62.300 -0.041 0.000 1.029 173 V CB 0.541 32.342 31.823 -0.036 0.000 0.843 173 V HN 0.026 nan 8.190 nan 0.000 0.438 174 T N 1.199 115.723 114.554 -0.050 0.000 2.788 174 T HA -0.193 4.157 4.350 0.000 0.000 0.268 174 T C 1.669 176.354 174.700 -0.026 0.000 1.044 174 T CA 2.579 64.649 62.100 -0.051 0.000 1.139 174 T CB -0.286 68.531 68.868 -0.085 0.000 0.867 174 T HN 0.746 nan 8.240 nan 0.000 0.454 175 E N -0.002 120.184 120.200 -0.022 0.000 2.268 175 E HA -0.011 4.340 4.350 0.000 0.000 0.195 175 E C 2.113 178.723 176.600 0.016 0.000 0.995 175 E CA 0.604 57.001 56.400 -0.005 0.000 0.836 175 E CB 0.025 29.717 29.700 -0.012 0.000 0.763 175 E HN 0.354 nan 8.360 nan 0.000 0.491 176 R N -0.574 119.935 120.500 0.016 0.000 2.356 176 R HA 0.092 4.432 4.340 0.000 0.000 0.234 176 R C 0.733 177.071 176.300 0.063 0.000 0.929 176 R CA 0.463 56.580 56.100 0.028 0.000 1.084 176 R CB 0.597 30.904 30.300 0.011 0.000 1.105 176 R HN 0.222 nan 8.270 nan 0.000 0.515 177 G N 0.354 109.214 108.800 0.100 0.000 2.141 177 G HA2 -0.234 3.726 3.960 0.000 0.000 0.242 177 G HA3 -0.234 3.726 3.960 0.000 0.000 0.242 177 G C 0.016 175.062 174.900 0.243 0.000 0.982 177 G CA -0.139 45.108 45.100 0.245 0.000 0.662 177 G HN 0.149 nan 8.290 nan 0.000 0.527 178 V N 2.180 122.152 119.914 0.096 0.000 2.368 178 V HA 0.409 4.529 4.120 0.000 0.000 0.266 178 V C 0.993 177.096 176.094 0.016 0.000 1.045 178 V CA -0.536 61.803 62.300 0.066 0.000 0.899 178 V CB 0.926 32.770 31.823 0.036 0.000 1.006 178 V HN 0.372 nan 8.190 nan 0.000 0.470 179 R N 3.634 124.140 120.500 0.010 0.000 2.357 179 R HA 0.573 4.913 4.340 0.000 0.000 0.296 179 R C -1.000 175.301 176.300 0.002 0.000 1.052 179 R CA -0.538 55.541 56.100 -0.035 0.000 0.988 179 R CB 1.565 31.820 30.300 -0.074 0.000 1.025 179 R HN 0.478 nan 8.270 nan 0.000 0.469 180 V N 4.229 124.157 119.914 0.024 0.000 2.357 180 V HA 0.266 4.386 4.120 0.000 0.000 0.284 180 V C -0.203 175.978 176.094 0.144 0.000 1.018 180 V CA -0.707 61.640 62.300 0.079 0.000 0.841 180 V CB 1.711 33.588 31.823 0.090 0.000 0.991 180 V HN 0.457 nan 8.190 nan 0.000 0.437 181 V N 5.846 125.785 119.914 0.042 0.000 2.448 181 V HA 0.530 4.651 4.120 0.000 0.000 0.295 181 V C -0.297 175.745 176.094 -0.087 0.000 1.025 181 V CA -0.579 61.708 62.300 -0.022 0.000 0.859 181 V CB 2.162 33.969 31.823 -0.027 0.000 0.988 181 V HN 0.593 nan 8.190 nan 0.000 0.431 182 V N 5.920 125.715 119.914 -0.198 0.000 2.409 182 V HA 0.511 4.631 4.120 0.000 0.000 0.291 182 V C -0.355 175.658 176.094 -0.135 0.000 1.020 182 V CA -0.541 61.640 62.300 -0.199 0.000 0.848 182 V CB 1.733 33.356 31.823 -0.333 0.000 0.990 182 V HN 0.576 nan 8.190 nan 0.000 0.430 183 I N 4.069 124.593 120.570 -0.077 0.000 2.377 183 I HA 0.486 4.657 4.170 0.000 0.000 0.293 183 I C 0.221 176.315 176.117 -0.039 0.000 0.987 183 I CA -0.468 60.815 61.300 -0.029 0.000 1.185 183 I CB 1.689 39.693 38.000 0.007 0.000 1.341 183 I HN 0.719 nan 8.210 nan 0.000 0.455 184 E N 7.059 127.258 120.200 -0.002 0.000 2.795 184 E HA 0.320 4.670 4.350 0.000 0.000 0.226 184 E C -2.498 174.192 176.600 0.149 0.000 1.088 184 E CA -1.594 54.798 56.400 -0.014 0.000 0.812 184 E CB 1.369 30.951 29.700 -0.197 0.000 1.328 184 E HN 0.326 nan 8.360 nan 0.000 0.410 185 P HA 0.121 nan 4.420 nan 0.000 0.278 185 P C 0.315 177.722 177.300 0.178 0.000 1.238 185 P CA -0.190 62.995 63.100 0.140 0.000 0.794 185 P CB 1.190 32.949 31.700 0.098 0.000 0.955 186 G N 1.003 109.906 108.800 0.171 0.000 2.509 186 G HA2 0.251 4.211 3.960 0.000 0.000 0.269 186 G HA3 0.251 4.211 3.960 0.000 0.000 0.269 186 G C -0.620 174.359 174.900 0.132 0.000 1.416 186 G CA -0.464 44.733 45.100 0.163 0.000 1.052 186 G HN 0.412 nan 8.290 nan 0.000 0.542 187 T N 1.097 115.725 114.554 0.124 0.000 2.750 187 T HA 0.318 4.669 4.350 0.000 0.000 0.277 187 T C 0.013 174.762 174.700 0.081 0.000 0.996 187 T CA 0.644 62.814 62.100 0.116 0.000 1.195 187 T CB -0.126 68.784 68.868 0.070 0.000 0.963 187 T HN 0.424 nan 8.240 nan 0.000 0.516 188 T N 2.772 117.382 114.554 0.093 0.000 2.861 188 T HA 0.230 4.580 4.350 0.000 0.000 0.287 188 T C -0.224 174.516 174.700 0.066 0.000 1.003 188 T CA -0.853 61.289 62.100 0.070 0.000 0.977 188 T CB 1.613 70.524 68.868 0.072 0.000 0.996 188 T HN 0.446 nan 8.240 nan 0.000 0.448 189 D N 3.389 123.816 120.400 0.046 0.000 2.416 189 D HA 0.267 4.908 4.640 0.000 0.000 0.240 189 D C 0.475 176.803 176.300 0.046 0.000 1.250 189 D CA 0.222 54.246 54.000 0.040 0.000 0.967 189 D CB 0.006 40.819 40.800 0.023 0.000 1.059 189 D HN 0.681 nan 8.370 nan 0.000 0.512 190 T N -0.720 113.870 114.554 0.060 0.000 2.693 190 T HA 0.365 4.715 4.350 0.000 0.000 0.278 190 T C 0.955 175.697 174.700 0.071 0.000 0.994 190 T CA -0.692 61.445 62.100 0.063 0.000 1.033 190 T CB 0.890 69.801 68.868 0.071 0.000 1.342 190 T HN 0.101 nan 8.240 nan 0.000 0.538 191 E N -0.223 120.027 120.200 0.083 0.000 2.481 191 E HA 0.096 4.446 4.350 0.000 0.000 0.195 191 E C 1.681 178.376 176.600 0.157 0.000 1.047 191 E CA -0.034 56.423 56.400 0.096 0.000 0.867 191 E CB -0.112 29.663 29.700 0.124 0.000 0.858 191 E HN 0.431 nan 8.360 nan 0.000 0.513 192 L N 2.198 123.511 121.223 0.151 0.000 1.990 192 L HA -0.264 4.077 4.340 0.000 0.000 0.213 192 L C 2.453 179.413 176.870 0.149 0.000 1.072 192 L CA 1.990 56.924 54.840 0.157 0.000 0.755 192 L CB -0.249 41.855 42.059 0.075 0.000 0.889 192 L HN 0.063 nan 8.230 nan 0.000 0.432 193 R N -1.100 119.468 120.500 0.113 0.000 2.189 193 R HA -0.024 4.316 4.340 0.000 0.000 0.223 193 R C 2.027 178.362 176.300 0.058 0.000 1.092 193 R CA 1.100 57.261 56.100 0.103 0.000 0.989 193 R CB -1.321 29.147 30.300 0.280 0.000 0.876 193 R HN 0.423 nan 8.270 nan 0.000 0.457 194 G N 0.624 109.426 108.800 0.004 0.000 2.470 194 G HA2 -0.242 3.718 3.960 0.000 0.000 0.220 194 G HA3 -0.242 3.718 3.960 0.000 0.000 0.220 194 G C 0.565 175.343 174.900 -0.204 0.000 1.121 194 G CA 0.824 45.849 45.100 -0.126 0.000 0.766 194 G HN 0.501 nan 8.290 nan 0.000 0.553 195 H N -0.497 118.568 119.070 -0.008 0.000 2.548 195 H HA 0.293 4.849 4.556 0.000 0.000 0.265 195 H C 0.888 176.205 175.328 -0.019 0.000 0.969 195 H CA -0.470 55.570 56.048 -0.013 0.000 1.155 195 H CB 0.215 29.967 29.762 -0.017 0.000 1.394 195 H HN 0.241 nan 8.280 nan 0.000 0.570 196 I N 2.170 122.773 120.570 0.055 0.000 2.742 196 I HA -0.138 4.032 4.170 0.000 0.000 0.287 196 I C 1.582 177.725 176.117 0.042 0.000 1.186 196 I CA 0.503 61.819 61.300 0.027 0.000 1.417 196 I CB 0.912 38.911 38.000 -0.003 0.000 1.377 196 I HN 0.380 nan 8.210 nan 0.000 0.556 197 T N 1.878 116.467 114.554 0.059 0.000 3.044 197 T HA -0.088 4.263 4.350 0.000 0.000 0.255 197 T C 0.949 175.688 174.700 0.065 0.000 1.073 197 T CA 0.381 62.513 62.100 0.053 0.000 1.125 197 T CB -0.100 68.798 68.868 0.050 0.000 0.908 197 T HN 0.547 nan 8.240 nan 0.000 0.480 198 H N 2.144 121.216 119.070 0.004 0.000 3.004 198 H HA 0.238 4.794 4.556 0.000 0.000 0.267 198 H C 0.653 175.988 175.328 0.011 0.000 1.165 198 H CA 0.103 56.156 56.048 0.007 0.000 1.450 198 H CB 0.930 30.701 29.762 0.016 0.000 1.488 198 H HN 0.253 nan 8.280 nan 0.000 0.478 199 T N 3.466 117.912 114.554 -0.181 0.000 2.684 199 T HA -0.184 4.167 4.350 0.000 0.000 0.267 199 T C 2.228 176.896 174.700 -0.055 0.000 1.036 199 T CA 1.380 63.422 62.100 -0.096 0.000 1.148 199 T CB -0.082 68.722 68.868 -0.108 0.000 0.863 199 T HN 0.684 nan 8.240 nan 0.000 0.436 200 A N 1.558 124.308 122.820 -0.117 0.000 1.908 200 A HA -0.142 4.178 4.320 0.000 0.000 0.218 200 A C 2.582 180.235 177.584 0.116 0.000 1.181 200 A CA 2.137 54.177 52.037 0.004 0.000 0.627 200 A CB -1.301 17.702 19.000 0.006 0.000 0.818 200 A HN 0.502 nan 8.150 nan 0.000 0.445 201 T N -0.470 114.232 114.554 0.248 0.000 2.777 201 T HA -0.116 4.234 4.350 0.000 0.000 0.266 201 T C 1.953 176.750 174.700 0.161 0.000 1.040 201 T CA 1.493 63.722 62.100 0.216 0.000 1.141 201 T CB -0.167 68.836 68.868 0.225 0.000 0.868 201 T HN 0.575 nan 8.240 nan 0.000 0.444 202 K N 1.183 121.662 120.400 0.131 0.000 2.032 202 K HA -0.097 4.223 4.320 0.000 0.000 0.209 202 K C 0.998 177.677 176.600 0.131 0.000 1.048 202 K CA 1.127 57.488 56.287 0.122 0.000 0.927 202 K CB -0.020 32.523 32.500 0.072 0.000 0.712 202 K HN 0.485 nan 8.250 nan 0.000 0.441 206 E N 0.587 120.770 120.200 -0.029 0.000 2.204 206 E HA -0.220 4.131 4.350 0.000 0.000 0.194 206 E C 1.458 177.991 176.600 -0.112 0.000 0.989 206 E CA 1.398 57.732 56.400 -0.111 0.000 0.824 206 E CB 0.069 29.770 29.700 0.002 0.000 0.756 206 E HN 0.420 nan 8.360 nan 0.000 0.477 207 Q N 1.569 121.332 119.800 -0.062 0.000 2.083 207 Q HA -0.119 4.222 4.340 0.000 0.000 0.198 207 Q C 2.024 177.979 176.000 -0.075 0.000 0.969 207 Q CA 1.372 57.145 55.803 -0.050 0.000 0.838 207 Q CB -0.115 28.614 28.738 -0.015 0.000 0.900 207 Q HN 0.070 nan 8.270 nan 0.000 0.436 208 R N 0.257 120.702 120.500 -0.092 0.000 2.103 208 R HA -0.147 4.193 4.340 0.000 0.000 0.242 208 R C 1.865 178.080 176.300 -0.141 0.000 1.142 208 R CA 1.892 57.934 56.100 -0.096 0.000 0.960 208 R CB -0.467 29.785 30.300 -0.079 0.000 0.858 208 R HN 0.598 nan 8.270 nan 0.000 0.439 209 I N -1.333 119.093 120.570 -0.240 0.000 3.928 209 I HA 0.139 4.309 4.170 0.000 0.000 0.335 209 I C 1.432 177.466 176.117 -0.138 0.000 1.325 209 I CA 0.362 61.531 61.300 -0.218 0.000 1.107 209 I CB 0.387 38.172 38.000 -0.359 0.000 1.014 209 I HN 0.019 nan 8.210 nan 0.000 0.400 210 S N 0.510 116.144 115.700 -0.110 0.000 2.447 210 S HA -0.080 4.390 4.470 0.000 0.000 0.233 210 S C 1.806 176.376 174.600 -0.051 0.000 1.006 210 S CA 0.686 58.843 58.200 -0.072 0.000 0.957 210 S CB -0.251 62.915 63.200 -0.056 0.000 0.773 210 S HN 0.542 nan 8.310 nan 0.000 0.507 211 Q N 0.849 120.619 119.800 -0.048 0.000 2.391 211 Q HA 0.389 4.729 4.340 0.000 0.000 0.211 211 Q C 1.031 177.012 176.000 -0.031 0.000 0.908 211 Q CA 0.128 55.910 55.803 -0.034 0.000 0.920 211 Q CB 0.079 28.800 28.738 -0.028 0.000 1.056 211 Q HN 0.863 nan 8.270 nan 0.000 0.523 212 I N -0.985 119.562 120.570 -0.038 0.000 2.662 212 I HA 0.289 4.459 4.170 0.000 0.000 0.291 212 I C -0.191 175.910 176.117 -0.027 0.000 1.046 212 I CA -0.871 60.411 61.300 -0.031 0.000 1.361 212 I CB 0.796 38.776 38.000 -0.032 0.000 1.429 212 I HN -0.241 nan 8.210 nan 0.000 0.558 213 R N 4.505 124.993 120.500 -0.021 0.000 2.343 213 R HA 0.230 4.571 4.340 0.000 0.000 0.326 213 R C -0.439 175.852 176.300 -0.015 0.000 1.055 213 R CA -0.329 55.761 56.100 -0.017 0.000 0.961 213 R CB 0.298 30.589 30.300 -0.015 0.000 0.978 213 R HN 0.585 nan 8.270 nan 0.000 0.443 214 K N 2.639 123.032 120.400 -0.012 0.000 2.168 214 K HA 0.174 4.494 4.320 0.000 0.000 0.258 214 K C 0.287 176.889 176.600 0.004 0.000 1.010 214 K CA -0.498 55.787 56.287 -0.004 0.000 0.929 214 K CB 0.691 33.190 32.500 -0.001 0.000 0.998 214 K HN 0.291 nan 8.250 nan 0.000 0.479 215 L N 2.379 123.610 121.223 0.014 0.000 2.483 215 L HA -0.041 4.299 4.340 0.000 0.000 0.275 215 L C 0.599 177.483 176.870 0.022 0.000 1.220 215 L CA 0.016 54.867 54.840 0.018 0.000 0.833 215 L CB 0.111 42.188 42.059 0.029 0.000 1.102 215 L HN 0.418 nan 8.230 nan 0.000 0.490 216 Q N 0.907 120.719 119.800 0.020 0.000 2.257 216 Q HA 0.319 4.660 4.340 0.000 0.000 0.262 216 Q C 0.716 176.733 176.000 0.028 0.000 0.997 216 Q CA -0.228 55.588 55.803 0.022 0.000 0.873 216 Q CB 1.775 30.522 28.738 0.015 0.000 1.312 216 Q HN 0.745 nan 8.270 nan 0.000 0.450 217 A N 2.073 124.911 122.820 0.031 0.000 1.986 217 A HA -0.282 4.038 4.320 0.000 0.000 0.220 217 A C 1.657 179.260 177.584 0.031 0.000 1.171 217 A CA 1.817 53.875 52.037 0.034 0.000 0.640 217 A CB -0.121 18.899 19.000 0.034 0.000 0.811 217 A HN 0.658 nan 8.150 nan 0.000 0.451 218 Q N 0.494 120.309 119.800 0.026 0.000 2.167 218 Q HA -0.117 4.224 4.340 0.000 0.000 0.202 218 Q C 1.441 177.456 176.000 0.025 0.000 0.970 218 Q CA 1.581 57.398 55.803 0.024 0.000 0.855 218 Q CB -0.398 28.351 28.738 0.019 0.000 0.911 218 Q HN 0.661 nan 8.270 nan 0.000 0.438 219 D N 0.026 120.439 120.400 0.023 0.000 2.117 219 D HA -0.119 4.521 4.640 0.000 0.000 0.197 219 D C 1.680 177.999 176.300 0.031 0.000 0.987 219 D CA 0.885 54.898 54.000 0.021 0.000 0.829 219 D CB -0.017 40.792 40.800 0.016 0.000 0.961 219 D HN 0.197 nan 8.370 nan 0.000 0.460 220 I N 1.351 121.943 120.570 0.037 0.000 2.286 220 I HA -0.124 4.046 4.170 0.000 0.000 0.245 220 I C 2.561 178.706 176.117 0.046 0.000 1.104 220 I CA 0.468 61.795 61.300 0.044 0.000 1.397 220 I CB -1.502 36.526 38.000 0.047 0.000 1.072 220 I HN -0.132 nan 8.210 nan 0.000 0.417 221 A N 0.710 123.554 122.820 0.040 0.000 1.948 221 A HA -0.267 4.054 4.320 0.000 0.000 0.220 221 A C 2.289 179.902 177.584 0.048 0.000 1.177 221 A CA 2.132 54.193 52.037 0.039 0.000 0.636 221 A CB -0.621 18.399 19.000 0.033 0.000 0.815 221 A HN 0.406 nan 8.150 nan 0.000 0.449 222 E N 0.300 120.529 120.200 0.048 0.000 2.110 222 E HA -0.046 4.304 4.350 0.000 0.000 0.193 222 E C 2.002 178.659 176.600 0.096 0.000 0.988 222 E CA 1.518 57.954 56.400 0.060 0.000 0.804 222 E CB -0.535 29.189 29.700 0.040 0.000 0.745 222 E HN 0.472 nan 8.360 nan 0.000 0.458 223 A N 0.089 122.964 122.820 0.090 0.000 1.883 223 A HA -0.161 4.159 4.320 0.000 0.000 0.217 223 A C 2.519 180.186 177.584 0.139 0.000 1.186 223 A CA 1.806 53.923 52.037 0.133 0.000 0.624 223 A CB -0.880 18.178 19.000 0.096 0.000 0.822 223 A HN 0.192 nan 8.150 nan 0.000 0.444 224 V N 0.090 120.052 119.914 0.080 0.000 2.295 224 V HA -0.271 3.850 4.120 0.000 0.000 0.246 224 V C 2.660 178.778 176.094 0.039 0.000 1.049 224 V CA 2.277 64.606 62.300 0.047 0.000 1.024 224 V CB -0.843 31.000 31.823 0.034 0.000 0.648 224 V HN 0.624 nan 8.190 nan 0.000 0.447 225 R N -0.906 119.629 120.500 0.059 0.000 2.083 225 R HA -0.252 4.088 4.340 0.000 0.000 0.237 225 R C 2.427 178.763 176.300 0.061 0.000 1.137 225 R CA 2.468 58.600 56.100 0.053 0.000 0.951 225 R CB -0.569 29.769 30.300 0.063 0.000 0.851 225 R HN 0.641 nan 8.270 nan 0.000 0.434 226 Y N 0.623 120.926 120.300 0.004 0.000 2.128 226 Y HA -0.231 4.320 4.550 0.000 0.000 0.284 226 Y C 2.071 177.969 175.900 -0.004 0.000 1.154 226 Y CA 1.660 59.761 58.100 0.001 0.000 1.149 226 Y CB -0.693 37.768 38.460 0.001 0.000 0.976 226 Y HN 0.159 nan 8.280 nan 0.000 0.505 227 A N 0.177 122.793 122.820 -0.341 0.000 1.902 227 A HA -0.155 4.166 4.320 0.000 0.000 0.217 227 A C 2.308 179.732 177.584 -0.267 0.000 1.181 227 A CA 2.713 54.512 52.037 -0.397 0.000 0.623 227 A CB -1.593 17.319 19.000 -0.148 0.000 0.818 227 A HN 0.700 nan 8.150 nan 0.000 0.443 228 V N -2.282 117.547 119.914 -0.143 0.000 2.951 228 V HA -0.042 4.079 4.120 0.000 0.000 0.255 228 V C 2.024 178.069 176.094 -0.081 0.000 1.088 228 V CA 2.067 64.315 62.300 -0.085 0.000 1.109 228 V CB -1.325 30.478 31.823 -0.034 0.000 0.724 228 V HN 0.649 nan 8.190 nan 0.000 0.471 229 T N -1.601 112.894 114.554 -0.098 0.000 3.107 229 T HA 0.499 4.849 4.350 0.000 0.000 0.249 229 T C 0.918 175.560 174.700 -0.098 0.000 1.096 229 T CA 0.450 62.512 62.100 -0.064 0.000 1.012 229 T CB -0.275 68.581 68.868 -0.019 0.000 0.977 229 T HN 0.923 nan 8.240 nan 0.000 0.527 230 A N 3.434 126.135 122.820 -0.197 0.000 2.466 230 A HA 0.519 4.839 4.320 0.000 0.000 0.238 230 A C -1.837 175.648 177.584 -0.165 0.000 1.074 230 A CA -1.301 50.604 52.037 -0.220 0.000 0.774 230 A CB -0.242 18.548 19.000 -0.350 0.000 1.015 230 A HN 0.361 nan 8.150 nan 0.000 0.498 231 P HA -0.031 nan 4.420 nan 0.000 0.269 231 P C 0.697 177.866 177.300 -0.218 0.000 1.215 231 P CA 0.075 63.084 63.100 -0.151 0.000 0.780 231 P CB 0.270 31.889 31.700 -0.136 0.000 0.898 232 H N 2.493 121.496 119.070 -0.111 0.000 2.422 232 H HA -0.185 4.372 4.556 0.001 0.000 0.298 232 H C 1.648 176.930 175.328 -0.077 0.000 1.098 232 H CA 1.752 57.757 56.048 -0.072 0.000 1.315 232 H CB -0.071 29.690 29.762 -0.003 0.000 1.382 232 H HN 0.565 nan 8.280 nan 0.000 0.523 233 H N -0.771 118.263 119.070 -0.061 0.000 2.561 233 H HA 0.206 4.762 4.556 0.000 0.000 0.278 233 H C 0.140 175.396 175.328 -0.121 0.000 1.014 233 H CA 0.629 56.620 56.048 -0.095 0.000 1.211 233 H CB -0.176 29.581 29.762 -0.009 0.000 1.365 233 H HN 0.276 nan 8.280 nan 0.000 0.594 234 A N 1.344 123.871 122.820 -0.488 0.000 2.303 234 A HA 0.460 4.781 4.320 0.000 0.000 0.320 234 A C -0.425 177.015 177.584 -0.239 0.000 1.192 234 A CA -0.587 51.264 52.037 -0.310 0.000 0.821 234 A CB 1.042 19.833 19.000 -0.348 0.000 1.188 234 A HN 0.278 nan 8.150 nan 0.000 0.492 235 T N 2.555 117.018 114.554 -0.151 0.000 2.788 235 T HA 0.352 4.702 4.350 0.000 0.000 0.296 235 T C -0.167 174.504 174.700 -0.049 0.000 1.009 235 T CA -0.190 61.844 62.100 -0.110 0.000 0.949 235 T CB 0.751 69.566 68.868 -0.088 0.000 0.946 235 T HN 0.394 nan 8.240 nan 0.000 0.453 236 V N 4.846 124.717 119.914 -0.071 0.000 2.287 236 V HA 0.058 4.178 4.120 0.000 0.000 0.246 236 V C 1.444 177.558 176.094 0.033 0.000 1.165 236 V CA -0.064 62.224 62.300 -0.021 0.000 1.088 236 V CB -0.598 31.166 31.823 -0.099 0.000 1.242 236 V HN 0.880 nan 8.190 nan 0.000 0.497 237 H N 3.091 122.142 119.070 -0.032 0.000 2.428 237 H HA 0.127 4.684 4.556 0.000 0.000 0.296 237 H C 0.730 176.046 175.328 -0.021 0.000 1.062 237 H CA 1.410 57.438 56.048 -0.034 0.000 1.350 237 H CB 0.512 30.252 29.762 -0.037 0.000 1.403 237 H HN 0.676 nan 8.280 nan 0.000 0.533 238 E N -0.212 119.945 120.200 -0.072 0.000 2.290 238 E HA 0.378 4.729 4.350 0.000 0.000 0.274 238 E C -1.228 175.381 176.600 0.016 0.000 0.889 238 E CA -0.526 55.808 56.400 -0.110 0.000 0.760 238 E CB 2.507 32.139 29.700 -0.114 0.000 1.206 238 E HN 0.140 nan 8.360 nan 0.000 0.419 239 I N 3.295 123.885 120.570 0.033 0.000 2.468 239 I HA 0.300 4.470 4.170 0.000 0.000 0.285 239 I C -1.189 175.022 176.117 0.158 0.000 1.039 239 I CA -0.808 60.555 61.300 0.105 0.000 1.074 239 I CB 1.160 39.230 38.000 0.117 0.000 1.228 239 I HN 0.392 nan 8.210 nan 0.000 0.436 240 F N 8.611 128.548 119.950 -0.020 0.000 2.375 240 F HA 0.573 5.100 4.527 0.000 0.000 0.361 240 F C -0.792 174.999 175.800 -0.015 0.000 1.117 240 F CA -1.657 56.326 58.000 -0.028 0.000 1.037 240 F CB 1.076 40.055 39.000 -0.034 0.000 1.192 240 F HN 0.293 nan 8.300 nan 0.000 0.452 241 I N 7.577 128.258 120.570 0.185 0.000 2.418 241 I HA 0.500 4.670 4.170 0.000 0.000 0.287 241 I C -1.113 174.981 176.117 -0.038 0.000 1.008 241 I CA -0.449 60.852 61.300 0.002 0.000 1.104 241 I CB 0.821 38.842 38.000 0.036 0.000 1.264 241 I HN 0.607 nan 8.210 nan 0.000 0.438 242 R N 6.686 127.094 120.500 -0.153 0.000 2.778 242 R HA 0.580 4.920 4.340 0.000 0.000 0.277 242 R C -2.619 173.637 176.300 -0.073 0.000 0.977 242 R CA -1.839 54.181 56.100 -0.133 0.000 0.950 242 R CB 1.332 31.474 30.300 -0.264 0.000 1.165 242 R HN 0.383 nan 8.270 nan 0.000 0.474 243 P HA 0.054 nan 4.420 nan 0.000 0.271 243 P C 0.153 177.426 177.300 -0.045 0.000 1.220 243 P CA 0.036 63.118 63.100 -0.029 0.000 0.768 243 P CB 0.735 32.428 31.700 -0.012 0.000 0.848 244 T N 0.387 114.915 114.554 -0.043 0.000 2.803 244 T HA -0.136 4.214 4.350 0.000 0.000 0.269 244 T C 0.907 175.586 174.700 -0.036 0.000 1.052 244 T CA 1.503 63.577 62.100 -0.045 0.000 1.136 244 T CB -0.486 68.358 68.868 -0.039 0.000 0.864 244 T HN 0.451 nan 8.240 nan 0.000 0.467 245 D N 0.843 121.226 120.400 -0.029 0.000 2.371 245 D HA 0.016 4.656 4.640 0.000 0.000 0.221 245 D C 0.939 177.226 176.300 -0.021 0.000 0.986 245 D CA 0.522 54.508 54.000 -0.024 0.000 0.899 245 D CB -0.003 40.784 40.800 -0.022 0.000 0.902 245 D HN 0.459 nan 8.370 nan 0.000 0.530 246 Q N 1.086 120.873 119.800 -0.023 0.000 2.368 246 Q HA 0.304 4.644 4.340 0.000 0.000 0.263 246 Q C -0.354 175.639 176.000 -0.013 0.000 1.009 246 Q CA -0.464 55.331 55.803 -0.014 0.000 0.818 246 Q CB 1.528 30.262 28.738 -0.006 0.000 1.239 246 Q HN -0.186 nan 8.270 nan 0.000 0.464 247 V N 0.000 119.911 119.914 -0.005 0.000 2.409 247 V HA 0.000 4.120 4.120 0.000 0.000 0.244 247 V CA 0.000 62.300 62.300 0.000 0.000 1.235 247 V CB 0.000 31.826 31.823 0.005 0.000 1.184 247 V HN 0.000 nan 8.190 nan 0.000 0.556