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 1q3s_1_A DATA FIRST_RESID 10 DATA SEQUENCE VILPEGTQRY VGRDAQRLNI LAARIIAETV RTTLGPKGMD KMLVDSLGDI DATA SEQUENCE VVTNDCATIL DKIDLQHPAA KMMVEVAKTQ DKEAGDGTTT AVVIAGELLR DATA SEQUENCE KAEELLDQNI HPSIIIKGYA LAAEKAQEIL DEIAIRVDPD DEETLLKIAA DATA SEQUENCE TSITGKNAES HKELLAKLAV EAVKQVAEKK DGKYVVDLDN IKFEKKAGEG DATA SEQUENCE VEESELVRGV VIDKEVVHPR MPKRVENAKI ALINEALEVK KTETDAKINI DATA SEQUENCE TSPDQLMSFL EQEEKMLKDM VDHIAQTGAN VVFVQKGIDD LAQHYLAKYG DATA SEQUENCE IMAVRRVKKS DMEKLAKATG AKIVTNVKDL TPEDLGYAEV VEERKLAGEN DATA SEQUENCE MIFVEGCKNP KAVTILIRGG TEHVIDEVER ALEDAVKVVK DVMEDGAVLP DATA SEQUENCE AGGAPEIELA IRLDEYAKQV GGKEALAIEN FADALKIIPK TLAENAGLDT DATA SEQUENCE VEMLVKVISE HKNRGLGIGI DVFEGKPADM LEKGIIEPLR VKKQAIKSAS DATA SEQUENCE EAAIMILRID DVIAAKA 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 10 V HA 0.000 nan 4.120 nan 0.000 0.244 10 V C 0.000 176.088 176.094 -0.010 0.000 1.182 10 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 10 V CB 0.000 31.817 31.823 -0.010 0.000 1.184 11 I N 0.848 121.411 120.570 -0.012 0.000 2.277 11 I HA 0.123 4.293 4.170 0.000 0.000 0.243 11 I C 1.064 177.175 176.117 -0.010 0.000 1.094 11 I CA 1.616 62.910 61.300 -0.010 0.000 1.393 11 I CB -0.023 37.971 38.000 -0.010 0.000 1.078 11 I HN 0.336 nan 8.210 nan 0.000 0.417 12 L N 0.780 121.995 121.223 -0.013 0.000 2.375 12 L HA 0.346 4.686 4.340 0.000 0.000 0.268 12 L C -2.098 174.764 176.870 -0.013 0.000 1.058 12 L CA -1.721 53.111 54.840 -0.013 0.000 0.803 12 L CB 0.477 42.526 42.059 -0.017 0.000 1.212 12 L HN -0.073 nan 8.230 nan 0.000 0.451 13 P HA 0.093 nan 4.420 nan 0.000 0.272 13 P C -1.091 176.202 177.300 -0.013 0.000 1.223 13 P CA -0.496 62.598 63.100 -0.010 0.000 0.784 13 P CB 0.453 32.149 31.700 -0.007 0.000 0.923 14 E N 1.002 121.195 120.200 -0.012 0.000 2.373 14 E HA 0.389 4.739 4.350 0.000 0.000 0.267 14 E C 0.853 177.446 176.600 -0.011 0.000 1.032 14 E CA 0.021 56.413 56.400 -0.014 0.000 0.889 14 E CB -0.295 29.398 29.700 -0.012 0.000 0.984 14 E HN 0.718 nan 8.360 nan 0.000 0.425 15 G N 2.387 111.179 108.800 -0.014 0.000 2.144 15 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 15 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 15 G C 0.003 174.899 174.900 -0.008 0.000 0.988 15 G CA 0.107 45.202 45.100 -0.009 0.000 0.659 15 G HN 0.740 nan 8.290 nan 0.000 0.522 16 T N 0.915 115.460 114.554 -0.016 0.000 2.794 16 T HA 0.635 4.985 4.350 0.000 0.000 0.280 16 T C -0.056 174.624 174.700 -0.034 0.000 0.987 16 T CA -0.220 61.871 62.100 -0.015 0.000 0.993 16 T CB 1.733 70.591 68.868 -0.016 0.000 0.939 16 T HN 0.309 nan 8.240 nan 0.000 0.449 17 Q N 1.808 121.594 119.800 -0.024 0.000 2.257 17 Q HA 0.742 5.082 4.340 0.000 0.000 0.262 17 Q C -0.323 175.615 176.000 -0.104 0.000 0.997 17 Q CA -0.780 54.968 55.803 -0.092 0.000 0.873 17 Q CB 1.960 30.694 28.738 -0.007 0.000 1.312 17 Q HN 0.472 nan 8.270 nan 0.000 0.450 18 R N 0.886 121.192 120.500 -0.323 0.000 2.668 18 R HA 0.594 4.934 4.340 0.000 0.000 0.272 18 R C -1.702 174.329 176.300 -0.449 0.000 1.019 18 R CA -0.525 55.462 56.100 -0.190 0.000 0.894 18 R CB 1.245 31.488 30.300 -0.095 0.000 1.228 18 R HN 0.676 nan 8.270 nan 0.000 0.460 19 Y N 1.066 121.368 120.300 0.004 0.000 2.534 19 Y HA 0.581 5.131 4.550 0.000 0.000 0.345 19 Y C -0.579 175.324 175.900 0.005 0.000 1.031 19 Y CA -0.796 57.309 58.100 0.008 0.000 1.022 19 Y CB 2.374 40.846 38.460 0.019 0.000 1.292 19 Y HN 0.195 nan 8.280 nan 0.000 0.459 20 V N 0.508 120.509 119.914 0.144 0.000 3.102 20 V HA 0.845 4.965 4.120 0.000 0.000 0.312 20 V C 0.661 176.791 176.094 0.060 0.000 1.135 20 V CA -0.496 61.852 62.300 0.080 0.000 1.022 20 V CB 1.253 33.099 31.823 0.039 0.000 1.056 20 V HN 1.098 nan 8.190 nan 0.000 0.436 21 G N 2.873 111.691 108.800 0.030 0.000 2.690 21 G HA2 -0.404 3.556 3.960 0.000 0.000 0.334 21 G HA3 -0.404 3.556 3.960 0.000 0.000 0.334 21 G C 1.191 176.096 174.900 0.008 0.000 1.250 21 G CA 2.021 47.124 45.100 0.005 0.000 0.994 21 G HN 1.256 nan 8.290 nan 0.000 0.549 22 R N 0.559 121.061 120.500 0.004 0.000 2.094 22 R HA -0.076 4.264 4.340 0.000 0.000 0.239 22 R C 2.044 178.358 176.300 0.023 0.000 1.137 22 R CA 2.690 58.792 56.100 0.004 0.000 0.943 22 R CB -1.126 29.176 30.300 0.003 0.000 0.850 22 R HN 0.503 nan 8.270 nan 0.000 0.433 23 D N 1.126 121.560 120.400 0.058 0.000 2.127 23 D HA -0.228 4.412 4.640 0.000 0.000 0.190 23 D C 2.039 178.377 176.300 0.064 0.000 1.000 23 D CA 2.413 56.476 54.000 0.105 0.000 0.839 23 D CB -0.428 40.504 40.800 0.220 0.000 0.955 23 D HN 0.496 nan 8.370 nan 0.000 0.446 24 A N 0.627 123.501 122.820 0.090 0.000 1.842 24 A HA -0.334 3.986 4.320 0.000 0.000 0.217 24 A C 2.112 179.694 177.584 -0.003 0.000 1.206 24 A CA 2.306 54.372 52.037 0.048 0.000 0.630 24 A CB -1.020 18.021 19.000 0.068 0.000 0.839 24 A HN 0.286 nan 8.150 nan 0.000 0.447 25 Q N -1.340 118.461 119.800 0.002 0.000 2.045 25 Q HA -0.277 4.063 4.340 0.000 0.000 0.206 25 Q C 2.376 178.359 176.000 -0.028 0.000 0.991 25 Q CA 1.933 57.729 55.803 -0.012 0.000 0.851 25 Q CB -0.290 28.438 28.738 -0.016 0.000 0.911 25 Q HN 0.635 nan 8.270 nan 0.000 0.418 26 R N 0.881 121.364 120.500 -0.028 0.000 2.113 26 R HA -0.170 4.170 4.340 0.000 0.000 0.244 26 R C 2.116 178.373 176.300 -0.071 0.000 1.142 26 R CA 1.520 57.597 56.100 -0.038 0.000 0.953 26 R CB -0.322 29.965 30.300 -0.021 0.000 0.860 26 R HN 0.241 nan 8.270 nan 0.000 0.438 27 L N -0.374 120.791 121.223 -0.096 0.000 2.109 27 L HA -0.069 4.271 4.340 0.000 0.000 0.207 27 L C 2.015 178.759 176.870 -0.211 0.000 1.086 27 L CA 1.611 56.352 54.840 -0.166 0.000 0.760 27 L CB -0.690 41.228 42.059 -0.234 0.000 0.910 27 L HN 0.383 nan 8.230 nan 0.000 0.437 28 N N 0.653 119.296 118.700 -0.095 0.000 2.058 28 N HA -0.170 4.570 4.740 0.000 0.000 0.191 28 N C 1.970 177.422 175.510 -0.097 0.000 1.037 28 N CA 1.155 54.182 53.050 -0.037 0.000 0.848 28 N CB -0.072 38.432 38.487 0.030 0.000 1.021 28 N HN 0.204 nan 8.380 nan 0.000 0.422 29 I N 0.771 121.301 120.570 -0.067 0.000 2.208 29 I HA -0.249 3.921 4.170 0.000 0.000 0.245 29 I C 2.282 178.345 176.117 -0.089 0.000 1.097 29 I CA 0.801 62.067 61.300 -0.057 0.000 1.363 29 I CB -0.213 37.765 38.000 -0.036 0.000 1.051 29 I HN 0.204 nan 8.210 nan 0.000 0.413 30 L N 1.163 122.313 121.223 -0.122 0.000 2.093 30 L HA -0.112 4.228 4.340 0.000 0.000 0.208 30 L C 2.534 179.297 176.870 -0.179 0.000 1.085 30 L CA 2.045 56.805 54.840 -0.133 0.000 0.755 30 L CB -0.667 41.312 42.059 -0.133 0.000 0.904 30 L HN 0.170 nan 8.230 nan 0.000 0.435 31 A N -0.812 121.827 122.820 -0.301 0.000 1.968 31 A HA 0.022 4.342 4.320 0.000 0.000 0.217 31 A C 2.404 179.884 177.584 -0.173 0.000 1.169 31 A CA 1.424 53.248 52.037 -0.355 0.000 0.638 31 A CB -0.934 17.559 19.000 -0.844 0.000 0.812 31 A HN 0.536 nan 8.150 nan 0.000 0.446 32 A N 0.179 122.924 122.820 -0.124 0.000 1.841 32 A HA -0.133 4.187 4.320 0.000 0.000 0.214 32 A C 2.220 179.771 177.584 -0.055 0.000 1.195 32 A CA 1.418 53.420 52.037 -0.059 0.000 0.611 32 A CB -0.526 18.453 19.000 -0.034 0.000 0.835 32 A HN 0.510 nan 8.150 nan 0.000 0.443 33 R N -0.457 120.008 120.500 -0.060 0.000 2.117 33 R HA -0.116 4.224 4.340 0.000 0.000 0.243 33 R C 2.023 178.292 176.300 -0.052 0.000 1.143 33 R CA 1.636 57.706 56.100 -0.051 0.000 0.968 33 R CB -0.603 29.668 30.300 -0.049 0.000 0.863 33 R HN 0.583 nan 8.270 nan 0.000 0.444 34 I N 0.438 120.969 120.570 -0.065 0.000 2.127 34 I HA -0.300 3.870 4.170 0.000 0.000 0.241 34 I C 2.389 178.480 176.117 -0.043 0.000 1.075 34 I CA 1.030 62.296 61.300 -0.056 0.000 1.334 34 I CB -0.271 37.688 38.000 -0.070 0.000 1.040 34 I HN 0.158 nan 8.210 nan 0.000 0.405 35 I N 1.096 121.641 120.570 -0.043 0.000 2.226 35 I HA -0.261 3.909 4.170 0.000 0.000 0.245 35 I C 2.787 178.887 176.117 -0.028 0.000 1.100 35 I CA 1.756 63.039 61.300 -0.029 0.000 1.374 35 I CB -1.155 36.832 38.000 -0.021 0.000 1.057 35 I HN 0.168 nan 8.210 nan 0.000 0.413 36 A N 0.281 123.081 122.820 -0.032 0.000 1.883 36 A HA -0.238 4.082 4.320 0.000 0.000 0.217 36 A C 2.143 179.708 177.584 -0.032 0.000 1.186 36 A CA 1.807 53.825 52.037 -0.032 0.000 0.624 36 A CB -0.727 18.251 19.000 -0.037 0.000 0.822 36 A HN 0.530 nan 8.150 nan 0.000 0.444 37 E N -0.859 119.321 120.200 -0.033 0.000 2.338 37 E HA -0.079 4.271 4.350 0.000 0.000 0.197 37 E C 1.728 178.311 176.600 -0.027 0.000 1.007 37 E CA 1.158 57.540 56.400 -0.031 0.000 0.849 37 E CB -0.205 29.476 29.700 -0.031 0.000 0.774 37 E HN 0.633 nan 8.360 nan 0.000 0.506 38 T N 0.196 114.735 114.554 -0.025 0.000 2.904 38 T HA -0.092 4.258 4.350 0.000 0.000 0.267 38 T C 2.073 176.761 174.700 -0.020 0.000 1.059 38 T CA 1.277 63.365 62.100 -0.021 0.000 1.137 38 T CB 0.105 68.962 68.868 -0.019 0.000 0.879 38 T HN 0.211 nan 8.240 nan 0.000 0.467 39 V N 1.078 120.979 119.914 -0.022 0.000 3.431 39 V HA 0.180 4.300 4.120 0.000 0.000 0.253 39 V C 2.295 178.374 176.094 -0.025 0.000 1.184 39 V CA 0.464 62.752 62.300 -0.021 0.000 1.104 39 V CB -0.650 31.161 31.823 -0.020 0.000 0.799 39 V HN 0.388 nan 8.190 nan 0.000 0.462 40 R N 2.557 123.040 120.500 -0.028 0.000 2.211 40 R HA -0.161 4.179 4.340 0.000 0.000 0.240 40 R C 1.977 178.258 176.300 -0.032 0.000 1.144 40 R CA 2.011 58.092 56.100 -0.032 0.000 0.992 40 R CB -1.635 28.644 30.300 -0.035 0.000 0.869 40 R HN 0.626 nan 8.270 nan 0.000 0.462 41 T N -1.665 112.872 114.554 -0.028 0.000 3.163 41 T HA -0.037 4.313 4.350 0.000 0.000 0.260 41 T C 1.431 176.114 174.700 -0.028 0.000 1.156 41 T CA 0.982 63.065 62.100 -0.028 0.000 1.072 41 T CB -0.125 68.729 68.868 -0.024 0.000 0.937 41 T HN 0.520 nan 8.240 nan 0.000 0.528 42 T N -1.094 113.444 114.554 -0.027 0.000 3.084 42 T HA 0.406 4.756 4.350 0.000 0.000 0.270 42 T C 0.227 174.910 174.700 -0.028 0.000 1.008 42 T CA -0.672 61.413 62.100 -0.024 0.000 0.900 42 T CB -0.198 68.659 68.868 -0.018 0.000 1.084 42 T HN 0.269 nan 8.240 nan 0.000 0.538 43 L N 2.839 124.042 121.223 -0.034 0.000 2.416 43 L HA 0.581 4.922 4.340 0.000 0.000 0.272 43 L C 0.864 177.706 176.870 -0.046 0.000 1.161 43 L CA 1.754 56.572 54.840 -0.037 0.000 0.845 43 L CB -0.287 41.748 42.059 -0.039 0.000 1.119 43 L HN 0.695 nan 8.230 nan 0.000 0.464 44 G N 4.111 112.886 108.800 -0.041 0.000 2.796 44 G HA2 -0.199 3.761 3.960 0.000 0.000 0.571 44 G HA3 -0.199 3.761 3.960 0.000 0.000 0.571 44 G C -2.149 172.716 174.900 -0.060 0.000 1.370 44 G CA -0.366 44.701 45.100 -0.055 0.000 0.856 44 G HN 0.524 nan 8.290 nan 0.000 0.538 45 P HA 0.005 nan 4.420 nan 0.000 0.217 45 P C 1.670 178.895 177.300 -0.126 0.000 1.150 45 P CA 1.564 64.612 63.100 -0.087 0.000 0.832 45 P CB 0.100 31.679 31.700 -0.202 0.000 0.787 46 K N -0.530 119.751 120.400 -0.197 0.000 2.444 46 K HA 0.162 4.482 4.320 0.000 0.000 0.193 46 K C 1.268 177.817 176.600 -0.084 0.000 1.024 46 K CA 0.110 56.306 56.287 -0.152 0.000 1.077 46 K CB -0.630 31.755 32.500 -0.192 0.000 0.833 46 K HN 0.117 nan 8.250 nan 0.000 0.517 47 G N 1.532 110.291 108.800 -0.068 0.000 2.670 47 G HA2 0.013 3.973 3.960 0.000 0.000 0.233 47 G HA3 0.013 3.973 3.960 0.000 0.000 0.233 47 G C 0.232 175.114 174.900 -0.030 0.000 1.251 47 G CA -0.186 44.888 45.100 -0.044 0.000 0.849 47 G HN -0.029 nan 8.290 nan 0.000 0.588 48 M N 0.360 119.945 119.600 -0.024 0.000 2.573 48 M HA 0.356 4.836 4.480 0.000 0.000 0.309 48 M C -0.473 175.821 176.300 -0.010 0.000 1.202 48 M CA -0.613 54.677 55.300 -0.016 0.000 0.975 48 M CB 1.705 34.294 32.600 -0.017 0.000 1.600 48 M HN 0.395 nan 8.290 nan 0.000 0.479 49 D N 1.090 121.487 120.400 -0.005 0.000 2.272 49 D HA 0.476 5.116 4.640 0.000 0.000 0.247 49 D C -0.501 175.800 176.300 0.000 0.000 0.990 49 D CA -0.348 53.652 54.000 0.001 0.000 0.931 49 D CB 1.666 42.471 40.800 0.008 0.000 1.195 49 D HN 0.289 nan 8.370 nan 0.000 0.477 50 K N 0.570 120.972 120.400 0.004 0.000 2.208 50 K HA 0.538 4.858 4.320 0.000 0.000 0.247 50 K C -0.439 176.168 176.600 0.012 0.000 0.953 50 K CA -0.821 55.469 56.287 0.004 0.000 0.837 50 K CB 2.539 35.040 32.500 0.001 0.000 1.131 50 K HN 0.296 nan 8.250 nan 0.000 0.431 51 M N 3.727 123.334 119.600 0.011 0.000 2.114 51 M HA 0.323 4.803 4.480 0.000 0.000 0.332 51 M C -1.740 174.571 176.300 0.018 0.000 1.014 51 M CA -0.634 54.678 55.300 0.019 0.000 0.956 51 M CB 0.540 33.147 32.600 0.012 0.000 1.551 51 M HN 0.470 nan 8.290 nan 0.000 0.427 52 L N 6.209 127.447 121.223 0.024 0.000 2.280 52 L HA 0.554 4.894 4.340 0.000 0.000 0.287 52 L C -0.973 175.910 176.870 0.022 0.000 1.023 52 L CA -0.918 53.933 54.840 0.018 0.000 0.819 52 L CB 1.479 43.546 42.059 0.012 0.000 1.212 52 L HN 0.421 nan 8.230 nan 0.000 0.420 53 V N 2.809 122.733 119.914 0.017 0.000 2.328 53 V HA 0.191 4.312 4.120 0.000 0.000 0.278 53 V C -0.040 176.062 176.094 0.012 0.000 1.021 53 V CA -0.742 61.568 62.300 0.017 0.000 0.838 53 V CB 1.388 33.220 31.823 0.015 0.000 0.999 53 V HN 0.751 nan 8.190 nan 0.000 0.447 54 D N 3.770 124.176 120.400 0.011 0.000 2.329 54 D HA 0.097 4.737 4.640 0.000 0.000 0.246 54 D C 1.400 177.704 176.300 0.007 0.000 1.111 54 D CA 0.236 54.240 54.000 0.007 0.000 0.941 54 D CB 1.806 42.609 40.800 0.004 0.000 1.169 54 D HN 0.438 nan 8.370 nan 0.000 0.441 55 S N 1.662 117.365 115.700 0.005 0.000 2.392 55 S HA -0.258 4.212 4.470 0.000 0.000 0.232 55 S C 2.077 176.680 174.600 0.005 0.000 1.041 55 S CA 1.072 59.275 58.200 0.005 0.000 1.026 55 S CB -0.802 62.401 63.200 0.004 0.000 0.845 55 S HN 0.611 nan 8.310 nan 0.000 0.465 56 L N 1.178 122.404 121.223 0.005 0.000 2.456 56 L HA 0.177 4.517 4.340 0.000 0.000 0.224 56 L C 2.173 179.048 176.870 0.007 0.000 1.148 56 L CA 0.578 55.421 54.840 0.005 0.000 0.825 56 L CB -0.847 41.214 42.059 0.003 0.000 0.937 56 L HN 0.688 nan 8.230 nan 0.000 0.450 57 G N -1.009 107.797 108.800 0.009 0.000 2.194 57 G HA2 -0.255 3.705 3.960 0.000 0.000 0.236 57 G HA3 -0.255 3.705 3.960 0.000 0.000 0.236 57 G C 0.197 175.108 174.900 0.018 0.000 0.987 57 G CA 0.012 45.119 45.100 0.012 0.000 0.635 57 G HN 0.368 nan 8.290 nan 0.000 0.520 58 D N 0.676 121.086 120.400 0.016 0.000 2.443 58 D HA 0.326 4.966 4.640 0.000 0.000 0.239 58 D C -0.041 176.278 176.300 0.032 0.000 1.136 58 D CA 0.405 54.416 54.000 0.019 0.000 0.879 58 D CB 0.386 41.189 40.800 0.005 0.000 1.195 58 D HN 0.184 nan 8.370 nan 0.000 0.443 59 I N 3.394 124.000 120.570 0.059 0.000 2.418 59 I HA 0.195 4.365 4.170 0.000 0.000 0.287 59 I C -0.217 175.973 176.117 0.121 0.000 1.008 59 I CA -0.807 60.551 61.300 0.097 0.000 1.104 59 I CB 1.993 40.075 38.000 0.136 0.000 1.264 59 I HN 0.018 nan 8.210 nan 0.000 0.438 60 V N 6.643 126.603 119.914 0.076 0.000 2.448 60 V HA 0.543 4.663 4.120 0.000 0.000 0.295 60 V C -0.345 175.802 176.094 0.089 0.000 1.025 60 V CA -0.740 61.589 62.300 0.049 0.000 0.859 60 V CB 2.067 33.890 31.823 0.000 0.000 0.988 60 V HN 0.418 nan 8.190 nan 0.000 0.431 61 V N 4.192 124.192 119.914 0.144 0.000 2.325 61 V HA 0.625 4.745 4.120 0.000 0.000 0.280 61 V C 0.022 176.159 176.094 0.073 0.000 1.016 61 V CA -0.055 62.314 62.300 0.115 0.000 0.818 61 V CB 1.463 33.376 31.823 0.150 0.000 1.019 61 V HN 0.985 nan 8.190 nan 0.000 0.434 62 T N 2.407 116.981 114.554 0.035 0.000 2.865 62 T HA 0.396 4.746 4.350 0.000 0.000 0.294 62 T C 0.408 175.113 174.700 0.008 0.000 1.119 62 T CA -0.303 61.807 62.100 0.016 0.000 1.007 62 T CB 2.181 71.049 68.868 -0.000 0.000 1.225 62 T HN 0.582 nan 8.240 nan 0.000 0.515 63 N N 0.282 118.983 118.700 0.002 0.000 2.227 63 N HA 0.156 4.896 4.740 0.000 0.000 0.196 63 N C -0.378 175.127 175.510 -0.008 0.000 1.142 63 N CA -0.132 52.917 53.050 -0.002 0.000 0.887 63 N CB 0.382 38.869 38.487 0.000 0.000 1.022 63 N HN 0.592 nan 8.380 nan 0.000 0.500 64 D N -0.063 120.331 120.400 -0.011 0.000 2.371 64 D HA -0.016 4.624 4.640 0.000 0.000 0.256 64 D C 1.292 177.583 176.300 -0.014 0.000 1.193 64 D CA -0.094 53.897 54.000 -0.015 0.000 0.881 64 D CB 0.753 41.540 40.800 -0.023 0.000 1.143 64 D HN 0.255 nan 8.370 nan 0.000 0.473 65 C N 4.270 123.562 119.300 -0.014 0.000 2.413 65 C HA -0.163 4.297 4.460 0.000 0.000 0.277 65 C C 2.643 177.626 174.990 -0.013 0.000 1.228 65 C CA 1.509 60.519 59.018 -0.014 0.000 1.731 65 C CB -1.341 26.390 27.740 -0.015 0.000 2.042 65 C HN 0.806 nan 8.230 nan 0.000 0.468 66 A N -0.211 122.601 122.820 -0.013 0.000 1.892 66 A HA -0.211 4.109 4.320 0.000 0.000 0.218 66 A C 2.302 179.878 177.584 -0.013 0.000 1.188 66 A CA 2.972 55.002 52.037 -0.012 0.000 0.631 66 A CB -1.476 17.517 19.000 -0.013 0.000 0.822 66 A HN 0.694 nan 8.150 nan 0.000 0.447 67 T N 0.261 114.806 114.554 -0.016 0.000 2.746 67 T HA -0.085 4.265 4.350 0.000 0.000 0.267 67 T C 1.815 176.508 174.700 -0.012 0.000 1.039 67 T CA 1.512 63.602 62.100 -0.017 0.000 1.142 67 T CB -0.437 68.418 68.868 -0.021 0.000 0.866 67 T HN 0.454 nan 8.240 nan 0.000 0.444 68 I N 0.889 121.453 120.570 -0.010 0.000 2.142 68 I HA -0.135 4.035 4.170 0.000 0.000 0.240 68 I C 2.323 178.436 176.117 -0.006 0.000 1.078 68 I CA 1.295 62.591 61.300 -0.007 0.000 1.343 68 I CB -0.505 37.491 38.000 -0.007 0.000 1.046 68 I HN 0.174 nan 8.210 nan 0.000 0.405 69 L N 0.281 121.500 121.223 -0.006 0.000 2.191 69 L HA -0.248 4.092 4.340 0.000 0.000 0.212 69 L C 2.042 178.911 176.870 -0.002 0.000 1.103 69 L CA 1.509 56.346 54.840 -0.004 0.000 0.769 69 L CB -0.604 41.453 42.059 -0.005 0.000 0.908 69 L HN 0.346 nan 8.230 nan 0.000 0.438 70 D N -0.415 119.982 120.400 -0.004 0.000 2.144 70 D HA -0.138 4.502 4.640 0.000 0.000 0.207 70 D C 2.259 178.557 176.300 -0.004 0.000 0.970 70 D CA 0.785 54.783 54.000 -0.004 0.000 0.853 70 D CB 0.304 41.100 40.800 -0.007 0.000 1.007 70 D HN -0.106 nan 8.370 nan 0.000 0.469 71 K N 0.277 120.674 120.400 -0.005 0.000 2.057 71 K HA 0.002 4.323 4.320 0.000 0.000 0.206 71 K C 0.704 177.304 176.600 -0.001 0.000 1.050 71 K CA 0.257 56.542 56.287 -0.004 0.000 0.935 71 K CB -0.361 32.137 32.500 -0.005 0.000 0.715 71 K HN 0.321 nan 8.250 nan 0.000 0.439 72 I N 2.444 123.014 120.570 -0.000 0.000 2.752 72 I HA -0.136 4.034 4.170 0.000 0.000 0.287 72 I C 0.512 176.631 176.117 0.003 0.000 1.188 72 I CA 0.059 61.360 61.300 0.002 0.000 1.427 72 I CB 0.268 38.269 38.000 0.001 0.000 1.365 72 I HN 0.012 nan 8.210 nan 0.000 0.585 73 D N 7.882 128.285 120.400 0.005 0.000 2.468 73 D HA 0.257 4.897 4.640 0.000 0.000 0.218 73 D C -0.367 175.940 176.300 0.011 0.000 1.155 73 D CA -0.222 53.782 54.000 0.007 0.000 0.924 73 D CB 0.203 41.007 40.800 0.006 0.000 1.029 73 D HN 0.245 nan 8.370 nan 0.000 0.515 74 L N 2.938 124.168 121.223 0.013 0.000 2.371 74 L HA 0.181 4.521 4.340 0.000 0.000 0.272 74 L C 1.535 178.419 176.870 0.024 0.000 1.124 74 L CA -0.401 54.452 54.840 0.022 0.000 0.816 74 L CB 1.332 43.405 42.059 0.024 0.000 1.129 74 L HN 0.319 nan 8.230 nan 0.000 0.448 75 Q N 0.421 120.244 119.800 0.038 0.000 2.580 75 Q HA 0.046 4.386 4.340 0.000 0.000 0.239 75 Q C 0.319 176.337 176.000 0.030 0.000 0.873 75 Q CA 0.162 55.982 55.803 0.028 0.000 0.951 75 Q CB 0.203 28.958 28.738 0.029 0.000 1.172 75 Q HN 0.627 nan 8.270 nan 0.000 0.616 76 H N 3.705 122.765 119.070 -0.016 0.000 3.034 76 H HA -0.013 4.543 4.556 0.000 0.000 0.324 76 H C -1.653 173.661 175.328 -0.023 0.000 1.015 76 H CA -0.739 55.294 56.048 -0.027 0.000 1.429 76 H CB 1.166 30.903 29.762 -0.042 0.000 1.429 76 H HN -0.122 nan 8.280 nan 0.000 0.585 77 P HA -0.246 nan 4.420 nan 0.000 0.213 77 P C 1.082 178.422 177.300 0.066 0.000 1.170 77 P CA 2.379 65.409 63.100 -0.115 0.000 0.902 77 P CB -0.068 31.505 31.700 -0.212 0.000 0.789 78 A N -0.298 122.672 122.820 0.250 0.000 1.986 78 A HA -0.183 4.137 4.320 0.000 0.000 0.220 78 A C 2.275 179.943 177.584 0.139 0.000 1.171 78 A CA 2.211 54.379 52.037 0.218 0.000 0.640 78 A CB -1.623 17.517 19.000 0.232 0.000 0.811 78 A HN 0.232 nan 8.150 nan 0.000 0.451 79 A N -0.653 122.272 122.820 0.175 0.000 2.016 79 A HA -0.017 4.303 4.320 0.000 0.000 0.217 79 A C 2.018 179.631 177.584 0.049 0.000 1.162 79 A CA 1.512 53.590 52.037 0.070 0.000 0.662 79 A CB -0.241 18.797 19.000 0.064 0.000 0.812 79 A HN 0.543 nan 8.150 nan 0.000 0.450 80 K N -0.830 119.602 120.400 0.054 0.000 2.228 80 K HA 0.149 4.469 4.320 0.000 0.000 0.202 80 K C 1.537 178.151 176.600 0.023 0.000 1.051 80 K CA 0.975 57.279 56.287 0.029 0.000 0.960 80 K CB -0.143 32.369 32.500 0.020 0.000 0.743 80 K HN 0.431 nan 8.250 nan 0.000 0.458 81 M N 0.200 119.818 119.600 0.030 0.000 2.686 81 M HA -0.004 4.476 4.480 0.000 0.000 0.246 81 M C 1.294 177.605 176.300 0.019 0.000 1.096 81 M CA 0.732 56.046 55.300 0.024 0.000 1.076 81 M CB 0.192 32.810 32.600 0.030 0.000 1.504 81 M HN 0.102 nan 8.290 nan 0.000 0.524 82 M N -1.249 118.361 119.600 0.016 0.000 2.466 82 M HA 0.028 4.508 4.480 0.000 0.000 0.265 82 M C 2.086 178.388 176.300 0.004 0.000 1.122 82 M CA 0.915 56.219 55.300 0.007 0.000 1.157 82 M CB -0.665 31.936 32.600 0.002 0.000 1.352 82 M HN 0.068 nan 8.290 nan 0.000 0.464 83 V N 0.698 120.616 119.914 0.007 0.000 2.343 83 V HA -0.244 3.876 4.120 0.000 0.000 0.247 83 V C 2.189 178.285 176.094 0.004 0.000 1.051 83 V CA 1.657 63.959 62.300 0.004 0.000 1.036 83 V CB -0.829 30.997 31.823 0.005 0.000 0.654 83 V HN 0.479 nan 8.190 nan 0.000 0.451 84 E N 0.035 120.239 120.200 0.007 0.000 2.085 84 E HA -0.194 4.157 4.350 0.000 0.000 0.194 84 E C 2.270 178.874 176.600 0.006 0.000 0.994 84 E CA 1.625 58.029 56.400 0.007 0.000 0.801 84 E CB -0.277 29.430 29.700 0.011 0.000 0.743 84 E HN 0.492 nan 8.360 nan 0.000 0.453 85 V N 1.590 121.508 119.914 0.005 0.000 2.231 85 V HA -0.325 3.795 4.120 0.000 0.000 0.248 85 V C 2.411 178.505 176.094 -0.001 0.000 1.054 85 V CA 2.072 64.373 62.300 0.003 0.000 1.015 85 V CB -0.876 30.946 31.823 -0.001 0.000 0.638 85 V HN 0.342 nan 8.190 nan 0.000 0.444 86 A N -0.599 122.220 122.820 -0.003 0.000 1.978 86 A HA -0.268 4.052 4.320 0.000 0.000 0.220 86 A C 2.224 179.807 177.584 -0.002 0.000 1.170 86 A CA 2.276 54.310 52.037 -0.005 0.000 0.636 86 A CB -0.467 18.528 19.000 -0.007 0.000 0.810 86 A HN 0.504 nan 8.150 nan 0.000 0.448 87 K N -0.819 119.581 120.400 -0.000 0.000 2.031 87 K HA -0.044 4.276 4.320 0.000 0.000 0.205 87 K C 2.085 178.687 176.600 0.004 0.000 1.049 87 K CA 1.936 58.224 56.287 0.001 0.000 0.939 87 K CB -0.524 31.978 32.500 0.003 0.000 0.717 87 K HN 0.395 nan 8.250 nan 0.000 0.438 88 T N 0.475 115.032 114.554 0.005 0.000 2.708 88 T HA -0.178 4.172 4.350 0.000 0.000 0.266 88 T C 1.688 176.392 174.700 0.006 0.000 1.037 88 T CA 1.599 63.703 62.100 0.007 0.000 1.146 88 T CB -0.314 68.559 68.868 0.009 0.000 0.865 88 T HN 0.248 nan 8.240 nan 0.000 0.435 89 Q N 1.344 121.146 119.800 0.004 0.000 2.096 89 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 89 Q C 1.815 177.817 176.000 0.003 0.000 0.982 89 Q CA 2.058 57.862 55.803 0.002 0.000 0.850 89 Q CB -0.633 28.104 28.738 -0.002 0.000 0.901 89 Q HN 0.553 nan 8.270 nan 0.000 0.422 90 D N -0.935 119.467 120.400 0.002 0.000 2.219 90 D HA -0.107 4.533 4.640 0.000 0.000 0.205 90 D C 1.270 177.575 176.300 0.007 0.000 0.970 90 D CA 0.923 54.925 54.000 0.003 0.000 0.851 90 D CB 0.032 40.831 40.800 -0.001 0.000 0.943 90 D HN 0.221 nan 8.370 nan 0.000 0.488 91 K N -0.493 119.912 120.400 0.008 0.000 2.404 91 K HA 0.026 4.347 4.320 0.000 0.000 0.194 91 K C 0.880 177.488 176.600 0.012 0.000 1.023 91 K CA 0.429 56.723 56.287 0.011 0.000 1.094 91 K CB 0.412 32.918 32.500 0.010 0.000 0.841 91 K HN -0.012 nan 8.250 nan 0.000 0.523 92 E N -1.165 119.041 120.200 0.011 0.000 2.406 92 E HA 0.136 4.486 4.350 0.000 0.000 0.204 92 E C 0.833 177.440 176.600 0.012 0.000 0.820 92 E CA 0.680 57.087 56.400 0.012 0.000 1.136 92 E CB 0.916 30.623 29.700 0.010 0.000 1.129 92 E HN 0.225 nan 8.360 nan 0.000 0.530 93 A N -0.119 122.707 122.820 0.010 0.000 2.508 93 A HA 0.505 4.825 4.320 0.000 0.000 0.250 93 A C 1.593 179.183 177.584 0.010 0.000 1.208 93 A CA 0.896 52.938 52.037 0.009 0.000 0.960 93 A CB 0.345 19.348 19.000 0.006 0.000 1.099 93 A HN 0.210 nan 8.150 nan 0.000 0.542 94 G N -0.344 108.462 108.800 0.010 0.000 2.343 94 G HA2 -0.328 3.632 3.960 0.000 0.000 0.264 94 G HA3 -0.328 3.632 3.960 0.000 0.000 0.264 94 G C 0.163 175.065 174.900 0.004 0.000 0.989 94 G CA 1.062 46.168 45.100 0.010 0.000 0.627 94 G HN 0.718 nan 8.290 nan 0.000 0.549 95 D N -1.872 118.530 120.400 0.003 0.000 2.552 95 D HA 0.574 5.214 4.640 0.000 0.000 0.239 95 D C 0.805 177.103 176.300 -0.002 0.000 1.139 95 D CA 0.790 54.790 54.000 0.000 0.000 0.914 95 D CB 0.905 41.707 40.800 0.003 0.000 1.461 95 D HN 1.282 nan 8.370 nan 0.000 0.462 96 G N 0.471 109.268 108.800 -0.005 0.000 2.142 96 G HA2 -0.283 3.678 3.960 0.000 0.000 0.225 96 G HA3 -0.283 3.678 3.960 0.000 0.000 0.225 96 G C 0.943 175.835 174.900 -0.012 0.000 1.015 96 G CA 1.181 46.276 45.100 -0.009 0.000 0.716 96 G HN 0.694 nan 8.290 nan 0.000 0.508 97 T N -2.744 111.804 114.554 -0.012 0.000 2.737 97 T HA -0.124 4.226 4.350 0.000 0.000 0.265 97 T C 2.305 176.994 174.700 -0.017 0.000 1.038 97 T CA 2.529 64.621 62.100 -0.013 0.000 1.144 97 T CB -0.700 68.161 68.868 -0.012 0.000 0.866 97 T HN 0.382 nan 8.240 nan 0.000 0.434 98 T N 1.965 116.508 114.554 -0.019 0.000 2.720 98 T HA -0.115 4.236 4.350 0.000 0.000 0.268 98 T C 2.244 176.927 174.700 -0.029 0.000 1.037 98 T CA 1.867 63.954 62.100 -0.023 0.000 1.144 98 T CB -1.085 67.769 68.868 -0.023 0.000 0.864 98 T HN 0.510 nan 8.240 nan 0.000 0.444 99 T N 2.062 116.599 114.554 -0.028 0.000 2.684 99 T HA -0.069 4.282 4.350 0.000 0.000 0.267 99 T C 2.430 177.104 174.700 -0.043 0.000 1.036 99 T CA 1.288 63.367 62.100 -0.036 0.000 1.148 99 T CB -0.608 68.241 68.868 -0.030 0.000 0.863 99 T HN 0.467 nan 8.240 nan 0.000 0.436 100 A N 0.706 123.506 122.820 -0.035 0.000 1.933 100 A HA -0.024 4.296 4.320 0.000 0.000 0.218 100 A C 2.585 180.144 177.584 -0.042 0.000 1.175 100 A CA 1.232 53.247 52.037 -0.037 0.000 0.628 100 A CB -0.907 18.079 19.000 -0.023 0.000 0.814 100 A HN 0.360 nan 8.150 nan 0.000 0.444 101 V N -0.554 119.340 119.914 -0.034 0.000 2.307 101 V HA -0.199 3.921 4.120 0.000 0.000 0.245 101 V C 2.585 178.653 176.094 -0.043 0.000 1.045 101 V CA 1.880 64.160 62.300 -0.033 0.000 1.024 101 V CB -0.614 31.194 31.823 -0.025 0.000 0.651 101 V HN 0.366 nan 8.190 nan 0.000 0.449 102 V N 0.176 120.062 119.914 -0.048 0.000 2.295 102 V HA -0.261 3.859 4.120 0.000 0.000 0.246 102 V C 2.133 178.181 176.094 -0.076 0.000 1.049 102 V CA 2.254 64.521 62.300 -0.055 0.000 1.024 102 V CB -0.518 31.273 31.823 -0.053 0.000 0.648 102 V HN 0.470 nan 8.190 nan 0.000 0.447 103 I N 0.198 120.713 120.570 -0.093 0.000 2.756 103 I HA -0.161 4.009 4.170 0.000 0.000 0.262 103 I C 2.430 178.453 176.117 -0.157 0.000 1.225 103 I CA 1.026 62.240 61.300 -0.142 0.000 1.472 103 I CB -0.540 37.362 38.000 -0.163 0.000 1.094 103 I HN 0.292 nan 8.210 nan 0.000 0.454 104 A N 1.112 123.871 122.820 -0.101 0.000 1.861 104 A HA 0.058 4.378 4.320 0.000 0.000 0.212 104 A C 2.472 180.023 177.584 -0.055 0.000 1.199 104 A CA 1.285 53.276 52.037 -0.075 0.000 0.613 104 A CB -1.268 17.708 19.000 -0.040 0.000 0.846 104 A HN 0.378 nan 8.150 nan 0.000 0.446 105 G N -0.298 108.473 108.800 -0.049 0.000 2.442 105 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 105 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 105 G C 1.454 176.329 174.900 -0.041 0.000 1.141 105 G CA 1.494 46.570 45.100 -0.039 0.000 0.763 105 G HN 0.542 nan 8.290 nan 0.000 0.554 106 E N -0.227 119.935 120.200 -0.065 0.000 2.150 106 E HA -0.018 4.332 4.350 0.000 0.000 0.193 106 E C 2.301 178.861 176.600 -0.066 0.000 0.985 106 E CA 0.330 56.689 56.400 -0.069 0.000 0.814 106 E CB -0.341 29.302 29.700 -0.096 0.000 0.752 106 E HN 0.260 nan 8.360 nan 0.000 0.466 107 L N 0.026 121.185 121.223 -0.106 0.000 2.093 107 L HA -0.027 4.313 4.340 0.000 0.000 0.208 107 L C 2.083 179.041 176.870 0.146 0.000 1.085 107 L CA 1.383 56.163 54.840 -0.100 0.000 0.755 107 L CB -0.447 41.449 42.059 -0.270 0.000 0.904 107 L HN 0.260 nan 8.230 nan 0.000 0.435 108 L N -1.421 119.853 121.223 0.086 0.000 2.072 108 L HA -0.168 4.173 4.340 0.000 0.000 0.205 108 L C 2.703 179.606 176.870 0.055 0.000 1.079 108 L CA 0.957 55.851 54.840 0.091 0.000 0.752 108 L CB -0.430 41.653 42.059 0.040 0.000 0.906 108 L HN 0.234 nan 8.230 nan 0.000 0.436 109 R N 0.480 120.997 120.500 0.027 0.000 2.080 109 R HA -0.170 4.170 4.340 0.000 0.000 0.236 109 R C 2.248 178.567 176.300 0.031 0.000 1.137 109 R CA 1.386 57.493 56.100 0.012 0.000 0.943 109 R CB 0.040 30.337 30.300 -0.005 0.000 0.846 109 R HN 0.115 nan 8.270 nan 0.000 0.431 110 K N 0.170 120.604 120.400 0.057 0.000 2.280 110 K HA -0.068 4.252 4.320 0.000 0.000 0.202 110 K C 1.844 178.500 176.600 0.095 0.000 1.047 110 K CA 1.178 57.514 56.287 0.080 0.000 0.942 110 K CB -0.238 32.327 32.500 0.107 0.000 0.739 110 K HN 0.304 nan 8.250 nan 0.000 0.457 111 A N 1.296 124.181 122.820 0.109 0.000 1.897 111 A HA -0.161 4.159 4.320 0.000 0.000 0.215 111 A C 2.195 179.756 177.584 -0.038 0.000 1.181 111 A CA 1.441 53.472 52.037 -0.011 0.000 0.620 111 A CB -0.320 18.665 19.000 -0.024 0.000 0.821 111 A HN 0.413 nan 8.150 nan 0.000 0.443 112 E N 0.013 120.207 120.200 -0.010 0.000 2.110 112 E HA -0.211 4.139 4.350 0.000 0.000 0.193 112 E C 1.827 178.417 176.600 -0.017 0.000 0.988 112 E CA 1.209 57.597 56.400 -0.019 0.000 0.804 112 E CB -0.135 29.556 29.700 -0.014 0.000 0.745 112 E HN 0.727 nan 8.360 nan 0.000 0.458 113 E N 0.215 120.412 120.200 -0.004 0.000 2.130 113 E HA -0.210 4.140 4.350 0.000 0.000 0.196 113 E C 2.146 178.742 176.600 -0.007 0.000 0.998 113 E CA 1.037 57.437 56.400 -0.001 0.000 0.806 113 E CB -0.057 29.649 29.700 0.011 0.000 0.738 113 E HN 0.362 nan 8.360 nan 0.000 0.459 114 L N 0.373 121.587 121.223 -0.014 0.000 2.240 114 L HA -0.108 4.232 4.340 0.000 0.000 0.211 114 L C 2.285 179.136 176.870 -0.032 0.000 1.106 114 L CA 0.408 55.234 54.840 -0.024 0.000 0.793 114 L CB -0.131 41.900 42.059 -0.045 0.000 0.927 114 L HN 0.147 nan 8.230 nan 0.000 0.446 115 L N -0.587 120.612 121.223 -0.039 0.000 2.044 115 L HA -0.174 4.166 4.340 0.000 0.000 0.205 115 L C 2.165 179.016 176.870 -0.031 0.000 1.075 115 L CA 0.963 55.777 54.840 -0.043 0.000 0.747 115 L CB -0.515 41.516 42.059 -0.047 0.000 0.903 115 L HN 0.227 nan 8.230 nan 0.000 0.435 116 D N 0.092 120.478 120.400 -0.023 0.000 2.158 116 D HA -0.227 4.413 4.640 0.000 0.000 0.197 116 D C 2.015 178.307 176.300 -0.014 0.000 0.995 116 D CA 1.202 55.192 54.000 -0.017 0.000 0.846 116 D CB -0.173 40.619 40.800 -0.012 0.000 0.941 116 D HN 0.416 nan 8.370 nan 0.000 0.456 117 Q N -0.169 119.624 119.800 -0.012 0.000 2.515 117 Q HA 0.057 4.397 4.340 0.000 0.000 0.214 117 Q C -0.164 175.831 176.000 -0.008 0.000 0.971 117 Q CA 0.012 55.811 55.803 -0.007 0.000 0.952 117 Q CB -0.207 28.528 28.738 -0.004 0.000 0.999 117 Q HN 0.371 nan 8.270 nan 0.000 0.524 118 N N -0.186 118.505 118.700 -0.014 0.000 2.829 118 N HA -0.153 4.587 4.740 0.000 0.000 0.250 118 N C -0.891 174.616 175.510 -0.005 0.000 1.090 118 N CA -0.160 52.881 53.050 -0.015 0.000 0.781 118 N CB -0.989 37.493 38.487 -0.007 0.000 1.124 118 N HN 0.258 nan 8.380 nan 0.000 0.559 119 I N 1.636 122.203 120.570 -0.005 0.000 2.396 119 I HA 0.016 4.186 4.170 0.000 0.000 0.289 119 I C 1.272 177.406 176.117 0.027 0.000 1.056 119 I CA -0.323 60.985 61.300 0.015 0.000 1.365 119 I CB 0.295 38.294 38.000 -0.001 0.000 1.407 119 I HN 0.197 nan 8.210 nan 0.000 0.509 120 H N 9.981 129.035 119.070 -0.028 0.000 3.115 120 H HA -0.016 4.540 4.556 0.000 0.000 0.324 120 H C -1.476 173.829 175.328 -0.038 0.000 1.007 120 H CA -0.936 55.096 56.048 -0.026 0.000 1.385 120 H CB 1.212 30.962 29.762 -0.020 0.000 1.351 120 H HN 0.423 nan 8.280 nan 0.000 0.592 121 P HA -0.207 nan 4.420 nan 0.000 0.217 121 P C 1.657 179.047 177.300 0.150 0.000 1.148 121 P CA 1.557 64.681 63.100 0.040 0.000 0.828 121 P CB 0.205 31.885 31.700 -0.033 0.000 0.783 122 S N -0.256 115.696 115.700 0.421 0.000 2.365 122 S HA -0.160 4.310 4.470 0.000 0.000 0.225 122 S C 2.014 176.639 174.600 0.041 0.000 1.039 122 S CA 1.362 59.651 58.200 0.147 0.000 1.033 122 S CB -0.809 62.311 63.200 -0.133 0.000 0.887 122 S HN -0.111 nan 8.310 nan 0.000 0.447 123 I N 1.896 122.492 120.570 0.043 0.000 2.179 123 I HA -0.138 4.032 4.170 0.000 0.000 0.242 123 I C 2.381 178.485 176.117 -0.022 0.000 1.088 123 I CA 1.288 62.588 61.300 0.001 0.000 1.357 123 I CB -1.413 36.592 38.000 0.009 0.000 1.051 123 I HN 0.407 nan 8.210 nan 0.000 0.409 124 I N 0.707 121.243 120.570 -0.056 0.000 2.208 124 I HA -0.297 3.873 4.170 0.000 0.000 0.245 124 I C 2.587 178.592 176.117 -0.186 0.000 1.097 124 I CA 1.506 62.693 61.300 -0.188 0.000 1.363 124 I CB -0.356 37.481 38.000 -0.272 0.000 1.051 124 I HN 0.117 nan 8.210 nan 0.000 0.413 125 I N 0.554 121.085 120.570 -0.066 0.000 2.179 125 I HA -0.248 3.922 4.170 0.000 0.000 0.242 125 I C 2.596 178.754 176.117 0.068 0.000 1.088 125 I CA 1.221 62.534 61.300 0.021 0.000 1.357 125 I CB -0.429 37.595 38.000 0.040 0.000 1.051 125 I HN 0.140 nan 8.210 nan 0.000 0.409 126 K N 0.967 121.389 120.400 0.037 0.000 2.057 126 K HA -0.091 4.229 4.320 0.000 0.000 0.207 126 K C 2.105 178.738 176.600 0.055 0.000 1.049 126 K CA 1.575 57.885 56.287 0.038 0.000 0.931 126 K CB -0.852 31.655 32.500 0.011 0.000 0.714 126 K HN 0.439 nan 8.250 nan 0.000 0.440 127 G N -0.644 108.192 108.800 0.060 0.000 2.421 127 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 127 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 127 G C 1.528 176.539 174.900 0.186 0.000 1.143 127 G CA 0.268 45.420 45.100 0.088 0.000 0.784 127 G HN 0.322 nan 8.290 nan 0.000 0.541 128 Y N 0.680 120.991 120.300 0.018 0.000 2.373 128 Y HA 0.020 4.570 4.550 0.000 0.000 0.293 128 Y C 3.092 178.934 175.900 -0.097 0.000 1.129 128 Y CA 0.227 58.352 58.100 0.041 0.000 1.226 128 Y CB 0.246 38.827 38.460 0.202 0.000 1.000 128 Y HN 0.313 nan 8.280 nan 0.000 0.549 129 A N 0.015 122.903 122.820 0.113 0.000 1.897 129 A HA -0.104 4.216 4.320 0.000 0.000 0.215 129 A C 2.055 179.617 177.584 -0.037 0.000 1.181 129 A CA 0.936 52.993 52.037 0.034 0.000 0.620 129 A CB -0.822 18.212 19.000 0.057 0.000 0.821 129 A HN 0.433 nan 8.150 nan 0.000 0.443 130 L N -0.763 120.458 121.223 -0.005 0.000 2.141 130 L HA -0.148 4.192 4.340 0.000 0.000 0.209 130 L C 3.025 179.883 176.870 -0.021 0.000 1.094 130 L CA 0.931 55.803 54.840 0.053 0.000 0.763 130 L CB -0.540 41.607 42.059 0.147 0.000 0.908 130 L HN 0.440 nan 8.230 nan 0.000 0.437 131 A N 0.179 122.852 122.820 -0.245 0.000 1.898 131 A HA -0.085 4.235 4.320 0.000 0.000 0.216 131 A C 2.543 179.659 177.584 -0.781 0.000 1.181 131 A CA 1.530 53.195 52.037 -0.620 0.000 0.620 131 A CB -0.597 17.629 19.000 -1.290 0.000 0.819 131 A HN 0.361 nan 8.150 nan 0.000 0.442 132 A N -0.789 121.596 122.820 -0.725 0.000 1.930 132 A HA -0.117 4.203 4.320 0.000 0.000 0.217 132 A C 2.021 179.522 177.584 -0.138 0.000 1.175 132 A CA 1.659 53.532 52.037 -0.273 0.000 0.627 132 A CB -0.376 18.600 19.000 -0.040 0.000 0.815 132 A HN 0.422 nan 8.150 nan 0.000 0.443 133 E N -0.173 119.944 120.200 -0.139 0.000 2.072 133 E HA -0.160 4.190 4.350 0.000 0.000 0.191 133 E C 1.963 178.474 176.600 -0.149 0.000 0.985 133 E CA 1.377 57.716 56.400 -0.101 0.000 0.801 133 E CB -0.132 29.526 29.700 -0.070 0.000 0.750 133 E HN 0.496 nan 8.360 nan 0.000 0.452 134 K N 0.585 120.841 120.400 -0.240 0.000 2.217 134 K HA 0.042 4.362 4.320 0.000 0.000 0.202 134 K C 1.705 178.166 176.600 -0.232 0.000 1.051 134 K CA 0.998 57.071 56.287 -0.358 0.000 0.952 134 K CB -0.202 31.845 32.500 -0.755 0.000 0.736 134 K HN 0.060 nan 8.250 nan 0.000 0.453 135 A N 0.326 123.048 122.820 -0.163 0.000 1.929 135 A HA -0.134 4.186 4.320 0.000 0.000 0.216 135 A C 1.925 179.484 177.584 -0.041 0.000 1.176 135 A CA 1.080 53.079 52.037 -0.064 0.000 0.628 135 A CB -0.392 18.622 19.000 0.024 0.000 0.816 135 A HN 0.276 nan 8.150 nan 0.000 0.444 136 Q N -0.257 119.515 119.800 -0.047 0.000 1.993 136 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 136 Q C 1.983 177.958 176.000 -0.041 0.000 0.984 136 Q CA 1.793 57.578 55.803 -0.030 0.000 0.837 136 Q CB -0.688 28.034 28.738 -0.027 0.000 0.902 136 Q HN 0.873 nan 8.270 nan 0.000 0.423 137 E N 0.451 120.612 120.200 -0.066 0.000 2.065 137 E HA -0.215 4.135 4.350 0.000 0.000 0.201 137 E C 2.033 178.598 176.600 -0.058 0.000 1.016 137 E CA 1.346 57.704 56.400 -0.070 0.000 0.818 137 E CB -0.171 29.464 29.700 -0.109 0.000 0.749 137 E HN 0.331 nan 8.360 nan 0.000 0.453 138 I N 0.517 121.047 120.570 -0.067 0.000 2.394 138 I HA -0.253 3.917 4.170 0.000 0.000 0.251 138 I C 2.298 178.405 176.117 -0.018 0.000 1.136 138 I CA 0.610 61.885 61.300 -0.043 0.000 1.425 138 I CB -0.095 37.879 38.000 -0.043 0.000 1.079 138 I HN 0.211 nan 8.210 nan 0.000 0.425 139 L N 0.030 121.244 121.223 -0.015 0.000 2.072 139 L HA -0.176 4.164 4.340 0.000 0.000 0.205 139 L C 2.097 178.964 176.870 -0.004 0.000 1.079 139 L CA 1.077 55.916 54.840 -0.002 0.000 0.752 139 L CB -0.524 41.536 42.059 0.001 0.000 0.906 139 L HN 0.206 nan 8.230 nan 0.000 0.436 140 D N -0.227 120.166 120.400 -0.011 0.000 2.144 140 D HA -0.208 4.432 4.640 0.000 0.000 0.199 140 D C 1.905 178.200 176.300 -0.008 0.000 0.984 140 D CA 1.068 55.062 54.000 -0.009 0.000 0.834 140 D CB 0.153 40.945 40.800 -0.014 0.000 0.955 140 D HN 0.386 nan 8.370 nan 0.000 0.465 141 E N 0.538 120.731 120.200 -0.011 0.000 2.004 141 E HA -0.106 4.244 4.350 0.000 0.000 0.193 141 E C 2.301 178.900 176.600 -0.002 0.000 0.985 141 E CA 0.573 56.968 56.400 -0.008 0.000 0.832 141 E CB -0.139 29.554 29.700 -0.012 0.000 0.787 141 E HN 0.286 nan 8.360 nan 0.000 0.466 142 I N -0.108 120.464 120.570 0.003 0.000 2.874 142 I HA -0.092 4.078 4.170 0.000 0.000 0.271 142 I C 0.763 176.885 176.117 0.009 0.000 1.263 142 I CA 0.405 61.711 61.300 0.010 0.000 1.443 142 I CB -0.782 37.232 38.000 0.024 0.000 1.100 142 I HN -0.049 nan 8.210 nan 0.000 0.480 143 A N 2.301 125.125 122.820 0.006 0.000 2.524 143 A HA 0.336 4.656 4.320 0.000 0.000 0.250 143 A C 0.348 177.934 177.584 0.003 0.000 1.078 143 A CA -0.162 51.877 52.037 0.005 0.000 0.761 143 A CB -0.304 18.697 19.000 0.002 0.000 1.012 143 A HN 0.456 nan 8.150 nan 0.000 0.500 144 I N 4.574 125.145 120.570 0.003 0.000 2.372 144 I HA 0.041 4.211 4.170 0.000 0.000 0.298 144 I C 0.375 176.491 176.117 -0.002 0.000 1.137 144 I CA -0.275 61.025 61.300 0.001 0.000 1.314 144 I CB -0.030 37.971 38.000 0.001 0.000 1.444 144 I HN 0.521 nan 8.210 nan 0.000 0.541 145 R N 4.994 125.493 120.500 -0.002 0.000 2.399 145 R HA 0.187 4.527 4.340 0.000 0.000 0.324 145 R C -0.260 176.037 176.300 -0.005 0.000 1.030 145 R CA -0.016 56.082 56.100 -0.003 0.000 0.984 145 R CB 0.614 30.913 30.300 -0.001 0.000 0.961 145 R HN 0.362 nan 8.270 nan 0.000 0.433 146 V N 1.794 121.703 119.914 -0.009 0.000 3.177 146 V HA 0.228 4.348 4.120 0.000 0.000 0.319 146 V C -0.362 175.722 176.094 -0.016 0.000 1.125 146 V CA -0.901 61.392 62.300 -0.013 0.000 1.029 146 V CB 2.310 34.123 31.823 -0.017 0.000 1.119 146 V HN 0.621 nan 8.190 nan 0.000 0.452 147 D N 3.030 123.419 120.400 -0.019 0.000 2.336 147 D HA 0.300 4.940 4.640 0.000 0.000 0.249 147 D C -1.689 174.581 176.300 -0.050 0.000 1.213 147 D CA -1.740 52.248 54.000 -0.020 0.000 0.870 147 D CB 1.681 42.475 40.800 -0.010 0.000 1.076 147 D HN 0.270 nan 8.370 nan 0.000 0.483 148 P HA -0.200 nan 4.420 nan 0.000 0.222 148 P C -0.120 176.995 177.300 -0.308 0.000 1.152 148 P CA 1.353 64.359 63.100 -0.157 0.000 0.838 148 P CB 0.196 31.854 31.700 -0.071 0.000 0.771 149 D N -4.384 115.907 120.400 -0.183 0.000 2.636 149 D HA 0.026 4.666 4.640 0.000 0.000 0.270 149 D C -0.350 175.906 176.300 -0.074 0.000 1.430 149 D CA -0.429 53.465 54.000 -0.177 0.000 0.796 149 D CB -1.102 39.644 40.800 -0.090 0.000 1.117 149 D HN -0.069 nan 8.370 nan 0.000 0.480 150 D N 1.693 122.057 120.400 -0.060 0.000 2.359 150 D HA -0.054 4.587 4.640 0.000 0.000 0.273 150 D C 1.380 177.661 176.300 -0.032 0.000 1.362 150 D CA 0.221 54.201 54.000 -0.033 0.000 1.010 150 D CB 0.788 41.572 40.800 -0.027 0.000 1.090 150 D HN 0.217 nan 8.370 nan 0.000 0.521 151 E N 2.988 123.175 120.200 -0.021 0.000 2.169 151 E HA -0.344 4.006 4.350 0.000 0.000 0.202 151 E C 1.350 177.942 176.600 -0.013 0.000 1.016 151 E CA 1.967 58.357 56.400 -0.015 0.000 0.817 151 E CB 0.016 29.714 29.700 -0.004 0.000 0.736 151 E HN 0.592 nan 8.360 nan 0.000 0.462 152 E N -0.158 120.035 120.200 -0.012 0.000 2.000 152 E HA -0.218 4.133 4.350 0.000 0.000 0.199 152 E C 2.156 178.749 176.600 -0.011 0.000 1.011 152 E CA 2.938 59.333 56.400 -0.009 0.000 0.836 152 E CB -1.026 28.669 29.700 -0.008 0.000 0.778 152 E HN 0.414 nan 8.360 nan 0.000 0.462 153 T N -1.098 113.448 114.554 -0.015 0.000 2.803 153 T HA -0.155 4.195 4.350 0.000 0.000 0.269 153 T C 1.924 176.613 174.700 -0.017 0.000 1.052 153 T CA 1.345 63.437 62.100 -0.015 0.000 1.136 153 T CB -0.418 68.440 68.868 -0.017 0.000 0.864 153 T HN 0.122 nan 8.240 nan 0.000 0.467 154 L N 0.172 121.379 121.223 -0.026 0.000 2.141 154 L HA 0.142 4.482 4.340 0.000 0.000 0.209 154 L C 2.566 179.428 176.870 -0.013 0.000 1.094 154 L CA 1.056 55.879 54.840 -0.028 0.000 0.763 154 L CB -0.761 41.272 42.059 -0.043 0.000 0.908 154 L HN 0.275 nan 8.230 nan 0.000 0.437 155 L N -0.826 120.392 121.223 -0.009 0.000 2.201 155 L HA -0.176 4.164 4.340 0.000 0.000 0.212 155 L C 2.327 179.198 176.870 0.001 0.000 1.105 155 L CA 1.495 56.334 54.840 -0.001 0.000 0.775 155 L CB -0.684 41.374 42.059 -0.001 0.000 0.913 155 L HN 0.360 nan 8.230 nan 0.000 0.440 156 K N -0.442 119.957 120.400 -0.002 0.000 1.980 156 K HA -0.090 4.230 4.320 0.000 0.000 0.208 156 K C 1.977 178.580 176.600 0.005 0.000 1.043 156 K CA 0.751 57.038 56.287 0.001 0.000 0.938 156 K CB -0.010 32.490 32.500 -0.001 0.000 0.724 156 K HN 0.034 nan 8.250 nan 0.000 0.438 157 I N 1.810 122.381 120.570 0.002 0.000 2.147 157 I HA -0.356 3.814 4.170 0.000 0.000 0.245 157 I C 2.499 178.622 176.117 0.011 0.000 1.059 157 I CA 1.861 63.164 61.300 0.005 0.000 1.320 157 I CB -1.325 36.674 38.000 -0.003 0.000 1.021 157 I HN 0.229 nan 8.210 nan 0.000 0.415 158 A N 0.443 123.270 122.820 0.011 0.000 1.898 158 A HA -0.053 4.268 4.320 0.000 0.000 0.216 158 A C 2.554 180.151 177.584 0.022 0.000 1.181 158 A CA 1.985 54.033 52.037 0.018 0.000 0.620 158 A CB -0.675 18.337 19.000 0.020 0.000 0.819 158 A HN 0.461 nan 8.150 nan 0.000 0.442 159 A N -1.099 121.732 122.820 0.019 0.000 1.897 159 A HA -0.013 4.307 4.320 0.000 0.000 0.215 159 A C 2.258 179.858 177.584 0.027 0.000 1.181 159 A CA 2.054 54.103 52.037 0.020 0.000 0.620 159 A CB -1.204 17.801 19.000 0.009 0.000 0.821 159 A HN 0.406 nan 8.150 nan 0.000 0.443 160 T N -0.356 114.215 114.554 0.027 0.000 2.803 160 T HA -0.138 4.212 4.350 0.000 0.000 0.269 160 T C 2.217 176.943 174.700 0.044 0.000 1.052 160 T CA 1.677 63.800 62.100 0.040 0.000 1.136 160 T CB -0.276 68.612 68.868 0.034 0.000 0.864 160 T HN 0.472 nan 8.240 nan 0.000 0.467 161 S N 0.686 116.405 115.700 0.032 0.000 2.345 161 S HA 0.008 4.478 4.470 0.000 0.000 0.220 161 S C 2.005 176.624 174.600 0.032 0.000 1.031 161 S CA 0.744 58.961 58.200 0.028 0.000 0.996 161 S CB -0.426 62.786 63.200 0.021 0.000 0.882 161 S HN 0.481 nan 8.310 nan 0.000 0.445 162 I N 1.079 121.669 120.570 0.034 0.000 2.423 162 I HA -0.104 4.066 4.170 0.000 0.000 0.254 162 I C 0.498 176.647 176.117 0.053 0.000 1.151 162 I CA 0.768 62.090 61.300 0.037 0.000 1.421 162 I CB -0.567 37.457 38.000 0.039 0.000 1.079 162 I HN 0.191 nan 8.210 nan 0.000 0.431 163 T N 1.359 115.953 114.554 0.066 0.000 2.997 163 T HA 0.451 4.801 4.350 0.000 0.000 0.311 163 T C 0.756 175.518 174.700 0.104 0.000 1.079 163 T CA 0.327 62.493 62.100 0.110 0.000 0.982 163 T CB 0.627 69.581 68.868 0.142 0.000 1.032 163 T HN 0.560 nan 8.240 nan 0.000 0.581 164 G N 2.674 111.519 108.800 0.075 0.000 4.378 164 G HA2 0.069 4.029 3.960 0.000 0.000 0.191 164 G HA3 0.069 4.029 3.960 0.000 0.000 0.191 164 G C 0.104 175.020 174.900 0.027 0.000 0.748 164 G CA -0.423 44.700 45.100 0.040 0.000 0.826 164 G HN 0.465 nan 8.290 nan 0.000 0.464 165 K N 0.015 120.439 120.400 0.038 0.000 2.316 165 K HA 0.382 4.702 4.320 0.000 0.000 0.234 165 K C 0.797 177.423 176.600 0.043 0.000 1.054 165 K CA -0.613 55.692 56.287 0.030 0.000 0.879 165 K CB 1.628 34.139 32.500 0.019 0.000 1.252 165 K HN 0.039 nan 8.250 nan 0.000 0.471 166 N N 0.721 119.443 118.700 0.036 0.000 2.018 166 N HA -0.239 4.501 4.740 0.000 0.000 0.196 166 N C 1.496 177.044 175.510 0.064 0.000 1.043 166 N CA 1.541 54.618 53.050 0.045 0.000 0.856 166 N CB -0.088 38.422 38.487 0.039 0.000 1.042 166 N HN 0.609 nan 8.380 nan 0.000 0.423 167 A N 1.610 124.469 122.820 0.064 0.000 2.245 167 A HA -0.200 4.120 4.320 0.000 0.000 0.217 167 A C 1.689 179.341 177.584 0.115 0.000 1.171 167 A CA 1.478 53.572 52.037 0.094 0.000 0.688 167 A CB -0.769 18.268 19.000 0.060 0.000 0.781 167 A HN 0.742 nan 8.150 nan 0.000 0.479 168 E N 0.807 121.057 120.200 0.083 0.000 2.393 168 E HA -0.245 4.105 4.350 0.000 0.000 0.201 168 E C 1.655 178.266 176.600 0.019 0.000 1.025 168 E CA 1.458 57.896 56.400 0.062 0.000 0.856 168 E CB -0.808 28.941 29.700 0.082 0.000 0.771 168 E HN 0.754 nan 8.360 nan 0.000 0.526 169 S N 0.949 116.656 115.700 0.012 0.000 2.400 169 S HA -0.190 4.280 4.470 0.000 0.000 0.232 169 S C 0.800 175.179 174.600 -0.368 0.000 1.025 169 S CA 1.460 59.559 58.200 -0.168 0.000 0.993 169 S CB -0.473 62.619 63.200 -0.179 0.000 0.808 169 S HN 0.531 nan 8.310 nan 0.000 0.478 170 H N 0.871 119.943 119.070 0.004 0.000 2.562 170 H HA 0.364 4.920 4.556 0.000 0.000 0.249 170 H C 1.203 176.533 175.328 0.004 0.000 1.195 170 H CA -0.250 55.800 56.048 0.003 0.000 0.938 170 H CB 0.163 29.931 29.762 0.009 0.000 1.891 170 H HN 0.578 nan 8.280 nan 0.000 0.595 171 K N 0.541 120.986 120.400 0.076 0.000 2.286 171 K HA -0.255 4.065 4.320 0.000 0.000 0.203 171 K C 1.574 178.200 176.600 0.044 0.000 1.045 171 K CA 1.819 58.137 56.287 0.051 0.000 0.935 171 K CB 0.374 32.884 32.500 0.017 0.000 0.737 171 K HN 0.204 nan 8.250 nan 0.000 0.460 172 E N 1.450 121.674 120.200 0.039 0.000 2.000 172 E HA -0.219 4.131 4.350 0.000 0.000 0.199 172 E C 1.871 178.499 176.600 0.045 0.000 1.011 172 E CA 1.500 57.918 56.400 0.030 0.000 0.836 172 E CB -0.497 29.216 29.700 0.020 0.000 0.778 172 E HN 0.311 nan 8.360 nan 0.000 0.462 173 L N 0.560 121.824 121.223 0.069 0.000 1.956 173 L HA -0.174 4.166 4.340 0.000 0.000 0.216 173 L C 2.396 179.299 176.870 0.054 0.000 1.073 173 L CA 2.064 56.940 54.840 0.061 0.000 0.762 173 L CB -1.049 41.054 42.059 0.074 0.000 0.889 173 L HN 0.406 nan 8.230 nan 0.000 0.433 174 L N -0.172 121.088 121.223 0.063 0.000 2.034 174 L HA -0.305 4.035 4.340 0.000 0.000 0.217 174 L C 2.700 179.603 176.870 0.055 0.000 1.077 174 L CA 1.632 56.507 54.840 0.058 0.000 0.769 174 L CB -1.321 40.772 42.059 0.057 0.000 0.890 174 L HN 0.501 nan 8.230 nan 0.000 0.435 175 A N -0.128 122.719 122.820 0.046 0.000 1.972 175 A HA -0.240 4.080 4.320 0.000 0.000 0.219 175 A C 2.431 180.035 177.584 0.033 0.000 1.169 175 A CA 1.992 54.051 52.037 0.037 0.000 0.635 175 A CB -0.421 18.595 19.000 0.027 0.000 0.810 175 A HN 0.413 nan 8.150 nan 0.000 0.446 176 K N -0.168 120.251 120.400 0.032 0.000 2.007 176 K HA -0.012 4.308 4.320 0.000 0.000 0.206 176 K C 1.852 178.471 176.600 0.030 0.000 1.047 176 K CA 1.235 57.538 56.287 0.027 0.000 0.937 176 K CB -0.341 32.174 32.500 0.025 0.000 0.718 176 K HN 0.433 nan 8.250 nan 0.000 0.438 177 L N 0.684 121.931 121.223 0.039 0.000 2.079 177 L HA -0.187 4.153 4.340 0.000 0.000 0.210 177 L C 2.652 179.550 176.870 0.048 0.000 1.081 177 L CA 1.317 56.183 54.840 0.043 0.000 0.752 177 L CB -0.584 41.509 42.059 0.057 0.000 0.896 177 L HN 0.341 nan 8.230 nan 0.000 0.433 178 A N -0.430 122.425 122.820 0.059 0.000 1.897 178 A HA -0.091 4.229 4.320 0.000 0.000 0.215 178 A C 2.280 179.888 177.584 0.040 0.000 1.181 178 A CA 1.480 53.557 52.037 0.066 0.000 0.620 178 A CB -0.598 18.448 19.000 0.077 0.000 0.821 178 A HN 0.199 nan 8.150 nan 0.000 0.443 179 V N -0.083 119.848 119.914 0.028 0.000 2.453 179 V HA -0.211 3.909 4.120 0.000 0.000 0.247 179 V C 2.438 178.540 176.094 0.013 0.000 1.048 179 V CA 2.060 64.368 62.300 0.014 0.000 1.049 179 V CB -0.734 31.093 31.823 0.007 0.000 0.672 179 V HN 0.748 nan 8.190 nan 0.000 0.457 180 E N 0.720 120.930 120.200 0.017 0.000 2.031 180 E HA -0.239 4.111 4.350 0.000 0.000 0.193 180 E C 2.262 178.869 176.600 0.012 0.000 0.994 180 E CA 1.513 57.922 56.400 0.016 0.000 0.800 180 E CB -0.264 29.445 29.700 0.016 0.000 0.752 180 E HN 0.533 nan 8.360 nan 0.000 0.447 181 A N 0.424 123.248 122.820 0.007 0.000 1.902 181 A HA -0.145 4.175 4.320 0.000 0.000 0.217 181 A C 2.367 179.947 177.584 -0.006 0.000 1.181 181 A CA 1.570 53.600 52.037 -0.012 0.000 0.623 181 A CB -0.560 18.421 19.000 -0.033 0.000 0.818 181 A HN 0.246 nan 8.150 nan 0.000 0.443 182 V N -0.086 119.834 119.914 0.009 0.000 2.667 182 V HA -0.189 3.931 4.120 0.000 0.000 0.252 182 V C 2.295 178.413 176.094 0.041 0.000 1.065 182 V CA 2.035 64.346 62.300 0.020 0.000 1.083 182 V CB -0.590 31.246 31.823 0.021 0.000 0.692 182 V HN 0.528 nan 8.190 nan 0.000 0.468 183 K N -0.118 120.306 120.400 0.040 0.000 2.097 183 K HA -0.203 4.117 4.320 0.000 0.000 0.205 183 K C 2.248 178.893 176.600 0.075 0.000 1.050 183 K CA 1.270 57.600 56.287 0.072 0.000 0.938 183 K CB -0.116 32.415 32.500 0.052 0.000 0.718 183 K HN 0.312 nan 8.250 nan 0.000 0.442 184 Q N 1.146 120.970 119.800 0.040 0.000 2.016 184 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 184 Q C 1.958 177.972 176.000 0.023 0.000 0.978 184 Q CA 1.873 57.693 55.803 0.027 0.000 0.833 184 Q CB -0.136 28.607 28.738 0.008 0.000 0.895 184 Q HN 0.250 nan 8.270 nan 0.000 0.427 185 V N -1.595 118.328 119.914 0.015 0.000 3.041 185 V HA 0.374 4.494 4.120 0.000 0.000 0.260 185 V C 0.927 177.039 176.094 0.030 0.000 1.105 185 V CA 0.405 62.710 62.300 0.008 0.000 1.125 185 V CB -1.456 30.360 31.823 -0.011 0.000 0.730 185 V HN 0.328 nan 8.190 nan 0.000 0.479 186 A N 1.062 123.923 122.820 0.068 0.000 2.548 186 A HA 0.333 4.653 4.320 0.000 0.000 0.247 186 A C 0.148 177.769 177.584 0.061 0.000 1.067 186 A CA 0.366 52.477 52.037 0.124 0.000 0.757 186 A CB -0.219 18.944 19.000 0.271 0.000 0.996 186 A HN 0.647 nan 8.150 nan 0.000 0.504 187 E N 1.240 121.453 120.200 0.022 0.000 2.176 187 E HA 0.538 4.888 4.350 0.000 0.000 0.267 187 E C -0.487 176.036 176.600 -0.128 0.000 0.893 187 E CA -0.365 56.003 56.400 -0.054 0.000 0.761 187 E CB 1.010 30.694 29.700 -0.027 0.000 1.133 187 E HN 0.602 nan 8.360 nan 0.000 0.409 188 K N 3.108 123.375 120.400 -0.223 0.000 2.523 188 K HA 0.419 4.739 4.320 0.000 0.000 0.257 188 K C -0.913 175.576 176.600 -0.185 0.000 0.932 188 K CA -0.611 55.510 56.287 -0.275 0.000 0.812 188 K CB 0.815 32.943 32.500 -0.620 0.000 1.326 188 K HN 0.385 nan 8.250 nan 0.000 0.433 189 K N 1.161 121.486 120.400 -0.124 0.000 2.524 189 K HA 0.074 4.394 4.320 0.000 0.000 0.181 189 K C -0.577 175.989 176.600 -0.057 0.000 1.665 189 K CA 0.358 56.594 56.287 -0.084 0.000 1.037 189 K CB -0.076 32.386 32.500 -0.063 0.000 1.476 189 K HN 0.580 nan 8.250 nan 0.000 0.583 190 D N 0.054 120.421 120.400 -0.054 0.000 2.513 190 D HA 0.316 4.956 4.640 0.000 0.000 0.222 190 D C 0.998 177.284 176.300 -0.024 0.000 1.210 190 D CA 0.227 54.208 54.000 -0.031 0.000 0.825 190 D CB 0.995 41.782 40.800 -0.022 0.000 1.037 190 D HN 0.327 nan 8.370 nan 0.000 0.506 191 G N 1.057 109.836 108.800 -0.035 0.000 2.792 191 G HA2 -0.209 3.751 3.960 0.000 0.000 0.201 191 G HA3 -0.209 3.751 3.960 0.000 0.000 0.201 191 G C 0.042 174.941 174.900 -0.001 0.000 1.322 191 G CA -0.477 44.614 45.100 -0.014 0.000 0.910 191 G HN 0.252 nan 8.290 nan 0.000 0.535 192 K N 0.117 120.527 120.400 0.016 0.000 2.166 192 K HA 0.642 4.962 4.320 0.000 0.000 0.245 192 K C -0.699 175.947 176.600 0.077 0.000 0.967 192 K CA -0.816 55.525 56.287 0.090 0.000 0.863 192 K CB 1.506 34.061 32.500 0.091 0.000 1.107 192 K HN 0.180 nan 8.250 nan 0.000 0.436 193 Y N 0.196 120.497 120.300 0.003 0.000 2.357 193 Y HA 0.184 4.734 4.550 0.000 0.000 0.340 193 Y C 0.289 176.191 175.900 0.003 0.000 1.260 193 Y CA -0.206 57.896 58.100 0.003 0.000 1.425 193 Y CB 0.783 39.246 38.460 0.004 0.000 1.326 193 Y HN 0.059 nan 8.280 nan 0.000 0.580 194 V N 2.535 122.539 119.914 0.150 0.000 2.577 194 V HA 0.276 4.396 4.120 0.000 0.000 0.294 194 V C -1.218 174.925 176.094 0.082 0.000 1.052 194 V CA -0.911 61.440 62.300 0.086 0.000 0.891 194 V CB 1.532 33.377 31.823 0.037 0.000 1.017 194 V HN 0.468 nan 8.190 nan 0.000 0.436 195 V N 3.237 123.197 119.914 0.077 0.000 2.398 195 V HA 0.478 4.598 4.120 0.000 0.000 0.286 195 V C -0.197 175.919 176.094 0.037 0.000 1.026 195 V CA -0.413 61.924 62.300 0.062 0.000 0.868 195 V CB 1.943 33.804 31.823 0.064 0.000 0.982 195 V HN 0.875 nan 8.190 nan 0.000 0.443 196 D N 4.652 125.067 120.400 0.025 0.000 2.493 196 D HA 0.261 4.901 4.640 0.000 0.000 0.235 196 D C 1.016 177.321 176.300 0.009 0.000 1.117 196 D CA -0.322 53.687 54.000 0.015 0.000 0.930 196 D CB 1.218 42.022 40.800 0.006 0.000 1.010 196 D HN 0.508 nan 8.370 nan 0.000 0.514 197 L N 1.931 123.164 121.223 0.017 0.000 2.651 197 L HA -0.124 4.216 4.340 0.000 0.000 0.236 197 L C 1.404 178.274 176.870 -0.000 0.000 1.173 197 L CA 0.574 55.424 54.840 0.016 0.000 0.843 197 L CB -0.101 41.984 42.059 0.045 0.000 0.964 197 L HN 0.266 nan 8.230 nan 0.000 0.454 198 D N 0.062 120.460 120.400 -0.003 0.000 2.312 198 D HA -0.089 4.551 4.640 0.000 0.000 0.211 198 D C 1.340 177.616 176.300 -0.039 0.000 0.964 198 D CA 0.671 54.664 54.000 -0.012 0.000 0.877 198 D CB -0.006 40.790 40.800 -0.007 0.000 0.924 198 D HN 0.376 nan 8.370 nan 0.000 0.515 199 N N 0.409 119.083 118.700 -0.043 0.000 2.383 199 N HA 0.074 4.814 4.740 0.000 0.000 0.192 199 N C 0.088 175.539 175.510 -0.098 0.000 1.141 199 N CA 0.190 53.204 53.050 -0.059 0.000 0.851 199 N CB 1.015 39.478 38.487 -0.040 0.000 0.976 199 N HN 0.281 nan 8.380 nan 0.000 0.465 200 I N 0.961 121.450 120.570 -0.135 0.000 2.420 200 I HA 0.176 4.346 4.170 0.000 0.000 0.282 200 I C 0.037 175.927 176.117 -0.378 0.000 1.019 200 I CA -0.677 60.468 61.300 -0.258 0.000 1.130 200 I CB 1.614 39.444 38.000 -0.283 0.000 1.262 200 I HN -0.243 nan 8.210 nan 0.000 0.454 201 K N 6.610 126.795 120.400 -0.358 0.000 2.130 201 K HA 0.557 4.877 4.320 0.000 0.000 0.268 201 K C -1.431 174.911 176.600 -0.430 0.000 0.983 201 K CA -0.367 55.740 56.287 -0.299 0.000 0.893 201 K CB 1.161 33.564 32.500 -0.162 0.000 1.066 201 K HN 0.274 nan 8.250 nan 0.000 0.450 202 F N 1.982 121.915 119.950 -0.028 0.000 2.421 202 F HA 0.260 4.787 4.527 0.000 0.000 0.337 202 F C 0.066 175.846 175.800 -0.032 0.000 1.105 202 F CA -0.628 57.358 58.000 -0.024 0.000 1.049 202 F CB 1.772 40.761 39.000 -0.019 0.000 1.139 202 F HN 0.543 nan 8.300 nan 0.000 0.479 203 E N 3.304 123.587 120.200 0.139 0.000 2.216 203 E HA 0.342 4.692 4.350 0.000 0.000 0.260 203 E C -1.554 175.091 176.600 0.074 0.000 0.880 203 E CA -0.741 55.695 56.400 0.059 0.000 0.765 203 E CB 0.958 30.654 29.700 -0.006 0.000 1.174 203 E HN 0.434 nan 8.360 nan 0.000 0.417 204 K N 3.795 124.225 120.400 0.051 0.000 2.235 204 K HA 0.524 4.844 4.320 0.000 0.000 0.266 204 K C -0.640 175.975 176.600 0.025 0.000 0.980 204 K CA -1.032 55.277 56.287 0.037 0.000 0.849 204 K CB 1.405 33.916 32.500 0.017 0.000 1.098 204 K HN 0.154 nan 8.250 nan 0.000 0.445 205 K N 1.736 122.155 120.400 0.031 0.000 2.507 205 K HA 0.393 4.713 4.320 0.000 0.000 0.251 205 K C -0.748 175.869 176.600 0.027 0.000 0.943 205 K CA -0.601 55.705 56.287 0.032 0.000 0.794 205 K CB 2.200 34.730 32.500 0.050 0.000 1.188 205 K HN 0.789 nan 8.250 nan 0.000 0.428 206 A N 1.240 124.074 122.820 0.023 0.000 2.386 206 A HA 0.679 4.999 4.320 0.000 0.000 0.246 206 A C 0.568 178.167 177.584 0.024 0.000 1.089 206 A CA 0.966 53.016 52.037 0.022 0.000 0.790 206 A CB -0.168 18.846 19.000 0.023 0.000 1.042 206 A HN 0.904 nan 8.150 nan 0.000 0.497 207 G N -0.498 108.315 108.800 0.021 0.000 2.699 207 G HA2 0.356 4.316 3.960 0.000 0.000 0.686 207 G HA3 0.356 4.316 3.960 0.000 0.000 0.686 207 G C -0.321 174.589 174.900 0.016 0.000 1.301 207 G CA 0.009 45.121 45.100 0.020 0.000 0.816 207 G HN 1.803 nan 8.290 nan 0.000 0.595 208 E N -2.264 117.945 120.200 0.014 0.000 6.884 208 E HA -0.028 4.322 4.350 0.000 0.000 0.172 208 E C 0.721 177.324 176.600 0.006 0.000 1.455 208 E CA 1.610 58.017 56.400 0.011 0.000 2.484 208 E CB -1.353 28.353 29.700 0.009 0.000 1.770 208 E HN 2.158 nan 8.360 nan 0.000 0.475 209 G N -0.898 107.902 108.800 -0.001 0.000 2.453 209 G HA2 0.479 4.439 3.960 0.000 0.000 0.323 209 G HA3 0.479 4.439 3.960 0.000 0.000 0.323 209 G C 0.928 175.785 174.900 -0.072 0.000 1.198 209 G CA -0.116 44.977 45.100 -0.011 0.000 0.959 209 G HN 0.261 nan 8.290 nan 0.000 0.482 210 V N 0.934 120.748 119.914 -0.165 0.000 2.909 210 V HA -0.160 3.960 4.120 0.000 0.000 0.265 210 V C 2.477 178.396 176.094 -0.293 0.000 1.128 210 V CA 1.795 63.914 62.300 -0.303 0.000 1.149 210 V CB -0.417 31.045 31.823 -0.602 0.000 0.725 210 V HN 0.678 nan 8.190 nan 0.000 0.511 211 E N 0.349 120.440 120.200 -0.181 0.000 2.150 211 E HA -0.157 4.193 4.350 0.000 0.000 0.193 211 E C 1.911 178.500 176.600 -0.019 0.000 0.985 211 E CA 0.852 57.228 56.400 -0.041 0.000 0.814 211 E CB -0.155 29.574 29.700 0.049 0.000 0.752 211 E HN 0.700 nan 8.360 nan 0.000 0.466 212 E N 0.752 120.937 120.200 -0.024 0.000 2.494 212 E HA 0.067 4.417 4.350 0.000 0.000 0.193 212 E C 0.205 176.805 176.600 -0.000 0.000 1.074 212 E CA -0.014 56.382 56.400 -0.007 0.000 0.867 212 E CB -0.139 29.560 29.700 -0.002 0.000 0.924 212 E HN -0.095 nan 8.360 nan 0.000 0.502 213 S N 1.939 117.634 115.700 -0.009 0.000 2.549 213 S HA 0.200 4.670 4.470 0.000 0.000 0.279 213 S C 0.382 174.997 174.600 0.024 0.000 1.321 213 S CA -0.209 57.998 58.200 0.012 0.000 1.054 213 S CB 0.519 63.718 63.200 -0.001 0.000 0.899 213 S HN 0.285 nan 8.310 nan 0.000 0.497 214 E N 1.014 121.238 120.200 0.040 0.000 2.449 214 E HA 0.619 4.970 4.350 0.000 0.000 0.278 214 E C -1.569 175.056 176.600 0.042 0.000 0.992 214 E CA -1.111 55.310 56.400 0.035 0.000 0.807 214 E CB 0.781 30.497 29.700 0.026 0.000 1.350 214 E HN 0.300 nan 8.360 nan 0.000 0.462 215 L N 1.493 122.734 121.223 0.029 0.000 2.262 215 L HA 0.392 4.732 4.340 0.000 0.000 0.288 215 L C -1.356 175.528 176.870 0.022 0.000 1.035 215 L CA -0.702 54.149 54.840 0.019 0.000 0.820 215 L CB 1.485 43.550 42.059 0.010 0.000 1.204 215 L HN 0.527 nan 8.230 nan 0.000 0.424 216 V N 6.548 126.480 119.914 0.031 0.000 2.368 216 V HA 0.314 4.434 4.120 0.000 0.000 0.266 216 V C 1.059 177.161 176.094 0.013 0.000 1.045 216 V CA -0.417 61.913 62.300 0.049 0.000 0.899 216 V CB 0.427 32.316 31.823 0.109 0.000 1.006 216 V HN 0.650 nan 8.190 nan 0.000 0.470 217 R N 3.892 124.396 120.500 0.007 0.000 4.739 217 R HA 0.302 4.643 4.340 0.000 0.000 0.203 217 R C 0.977 177.268 176.300 -0.016 0.000 2.125 217 R CA 0.375 56.471 56.100 -0.007 0.000 1.743 217 R CB -0.074 30.224 30.300 -0.003 0.000 1.271 217 R HN 0.912 nan 8.270 nan 0.000 0.746 218 G N -0.930 107.859 108.800 -0.017 0.000 3.453 218 G HA2 0.368 4.329 3.960 0.000 0.000 0.165 218 G HA3 0.368 4.329 3.960 0.000 0.000 0.165 218 G C -1.129 173.741 174.900 -0.051 0.000 1.220 218 G CA -0.173 44.909 45.100 -0.030 0.000 1.305 218 G HN 0.056 nan 8.290 nan 0.000 0.695 219 V N -0.167 119.714 119.914 -0.056 0.000 3.077 219 V HA 0.571 4.691 4.120 0.000 0.000 0.299 219 V C -1.035 174.973 176.094 -0.144 0.000 1.276 219 V CA -0.607 61.627 62.300 -0.110 0.000 0.993 219 V CB 1.954 33.683 31.823 -0.156 0.000 1.076 219 V HN 0.581 nan 8.190 nan 0.000 0.434 220 V N 4.840 124.629 119.914 -0.209 0.000 2.495 220 V HA 0.607 4.727 4.120 0.000 0.000 0.298 220 V C -0.430 175.478 176.094 -0.311 0.000 1.031 220 V CA -0.415 61.658 62.300 -0.378 0.000 0.871 220 V CB 1.788 33.318 31.823 -0.489 0.000 0.988 220 V HN 0.669 nan 8.190 nan 0.000 0.432 221 I N 2.823 123.206 120.570 -0.312 0.000 2.509 221 I HA 0.380 4.550 4.170 0.000 0.000 0.293 221 I C -0.545 175.470 176.117 -0.170 0.000 1.020 221 I CA -0.442 60.728 61.300 -0.216 0.000 1.088 221 I CB 2.286 40.159 38.000 -0.212 0.000 1.267 221 I HN 0.563 nan 8.210 nan 0.000 0.430 222 D N 6.356 126.684 120.400 -0.119 0.000 2.741 222 D HA 0.221 4.862 4.640 0.000 0.000 0.233 222 D C -0.423 175.856 176.300 -0.035 0.000 1.160 222 D CA 0.232 54.185 54.000 -0.078 0.000 1.003 222 D CB 0.254 41.016 40.800 -0.063 0.000 1.064 222 D HN 0.212 nan 8.370 nan 0.000 0.503 223 K N 0.604 120.996 120.400 -0.013 0.000 2.439 223 K HA 0.496 4.816 4.320 0.000 0.000 0.260 223 K C -0.316 176.309 176.600 0.042 0.000 1.032 223 K CA -0.773 55.529 56.287 0.024 0.000 0.882 223 K CB 2.221 34.754 32.500 0.055 0.000 1.420 223 K HN 0.106 nan 8.250 nan 0.000 0.455 224 E N 0.368 120.598 120.200 0.050 0.000 2.339 224 E HA 0.324 4.675 4.350 0.000 0.000 0.262 224 E C -0.768 175.866 176.600 0.057 0.000 0.934 224 E CA -1.102 55.329 56.400 0.051 0.000 0.802 224 E CB 2.081 31.803 29.700 0.037 0.000 1.275 224 E HN 0.084 nan 8.360 nan 0.000 0.427 225 V N 2.128 122.073 119.914 0.051 0.000 2.485 225 V HA -0.081 4.039 4.120 0.000 0.000 0.287 225 V C 1.309 177.432 176.094 0.048 0.000 1.022 225 V CA 0.396 62.722 62.300 0.042 0.000 1.067 225 V CB 1.020 32.867 31.823 0.039 0.000 0.967 225 V HN 0.621 nan 8.190 nan 0.000 0.479 226 V N 4.791 124.737 119.914 0.054 0.000 2.594 226 V HA -0.116 4.004 4.120 0.000 0.000 0.253 226 V C 0.916 177.060 176.094 0.084 0.000 1.069 226 V CA 1.684 64.022 62.300 0.062 0.000 1.082 226 V CB -0.429 31.434 31.823 0.067 0.000 0.680 226 V HN 0.939 nan 8.190 nan 0.000 0.469 227 H N -1.174 117.901 119.070 0.008 0.000 2.538 227 H HA 0.361 4.917 4.556 0.000 0.000 0.353 227 H C -1.947 173.385 175.328 0.007 0.000 1.109 227 H CA -1.697 54.356 56.048 0.010 0.000 1.192 227 H CB 2.383 32.150 29.762 0.008 0.000 1.555 227 H HN -0.009 nan 8.280 nan 0.000 0.518 228 P HA -0.139 nan 4.420 nan 0.000 0.214 228 P C 1.057 178.444 177.300 0.145 0.000 1.163 228 P CA 1.375 64.487 63.100 0.020 0.000 0.889 228 P CB 0.366 32.017 31.700 -0.082 0.000 0.790 229 R N -1.492 119.206 120.500 0.330 0.000 2.323 229 R HA 0.181 4.521 4.340 0.000 0.000 0.198 229 R C 1.007 177.360 176.300 0.089 0.000 0.988 229 R CA 0.318 56.528 56.100 0.182 0.000 1.041 229 R CB -0.692 29.701 30.300 0.153 0.000 0.926 229 R HN 0.374 nan 8.270 nan 0.000 0.476 230 M N 1.060 120.727 119.600 0.113 0.000 2.197 230 M HA 0.232 4.712 4.480 0.000 0.000 0.305 230 M C -2.069 174.248 176.300 0.029 0.000 1.162 230 M CA -1.735 53.587 55.300 0.036 0.000 1.099 230 M CB 0.420 33.044 32.600 0.040 0.000 1.430 230 M HN -0.315 nan 8.290 nan 0.000 0.481 231 P HA 0.082 nan 4.420 nan 0.000 0.271 231 P C -0.451 176.858 177.300 0.015 0.000 1.220 231 P CA -0.047 63.059 63.100 0.011 0.000 0.768 231 P CB 0.527 32.228 31.700 0.002 0.000 0.848 232 K N 2.064 122.478 120.400 0.023 0.000 2.374 232 K HA 0.122 4.442 4.320 0.000 0.000 0.196 232 K C 0.571 177.192 176.600 0.035 0.000 1.023 232 K CA 0.360 56.666 56.287 0.032 0.000 1.103 232 K CB 0.527 33.048 32.500 0.035 0.000 0.848 232 K HN 0.416 nan 8.250 nan 0.000 0.528 233 R N 0.108 120.624 120.500 0.026 0.000 2.535 233 R HA 0.305 4.645 4.340 0.000 0.000 0.274 233 R C -1.839 174.474 176.300 0.022 0.000 1.090 233 R CA -0.307 55.810 56.100 0.029 0.000 0.930 233 R CB 1.672 31.987 30.300 0.026 0.000 1.223 233 R HN -0.230 nan 8.270 nan 0.000 0.441 234 V N 4.439 124.368 119.914 0.025 0.000 2.482 234 V HA 0.301 4.421 4.120 0.000 0.000 0.295 234 V C -0.366 175.749 176.094 0.036 0.000 1.026 234 V CA -0.948 61.367 62.300 0.025 0.000 0.856 234 V CB 1.665 33.496 31.823 0.014 0.000 1.001 234 V HN 0.721 nan 8.190 nan 0.000 0.424 235 E N 3.735 123.960 120.200 0.042 0.000 2.366 235 E HA 0.203 4.553 4.350 0.000 0.000 0.266 235 E C -0.045 176.612 176.600 0.096 0.000 1.051 235 E CA -0.369 56.066 56.400 0.058 0.000 0.884 235 E CB 0.356 30.088 29.700 0.053 0.000 1.006 235 E HN 0.671 nan 8.360 nan 0.000 0.417 236 N N 0.370 119.165 118.700 0.157 0.000 2.650 236 N HA -0.205 4.536 4.740 0.000 0.000 0.300 236 N C -0.814 174.836 175.510 0.233 0.000 1.197 236 N CA 0.908 54.153 53.050 0.325 0.000 0.746 236 N CB -0.662 37.979 38.487 0.256 0.000 0.976 236 N HN 0.570 nan 8.380 nan 0.000 0.558 237 A N 2.387 125.317 122.820 0.184 0.000 2.306 237 A HA 0.418 4.738 4.320 0.000 0.000 0.314 237 A C 0.430 178.119 177.584 0.175 0.000 1.164 237 A CA -0.577 51.533 52.037 0.121 0.000 0.822 237 A CB 0.923 19.953 19.000 0.049 0.000 1.130 237 A HN 0.361 nan 8.150 nan 0.000 0.496 238 K N 2.519 122.989 120.400 0.116 0.000 2.292 238 K HA 0.469 4.789 4.320 0.000 0.000 0.270 238 K C -1.200 175.439 176.600 0.066 0.000 1.062 238 K CA 0.172 56.523 56.287 0.107 0.000 0.916 238 K CB 1.128 33.669 32.500 0.069 0.000 1.166 238 K HN 0.615 nan 8.250 nan 0.000 0.458 239 I N 2.371 122.991 120.570 0.083 0.000 2.359 239 I HA 0.309 4.480 4.170 0.000 0.000 0.294 239 I C -0.068 176.095 176.117 0.076 0.000 0.987 239 I CA -0.579 60.765 61.300 0.074 0.000 1.225 239 I CB 1.711 39.794 38.000 0.138 0.000 1.366 239 I HN 0.573 nan 8.210 nan 0.000 0.466 240 A N 7.161 130.013 122.820 0.053 0.000 2.318 240 A HA 0.762 5.082 4.320 0.000 0.000 0.324 240 A C -1.064 176.579 177.584 0.098 0.000 1.170 240 A CA -0.472 51.597 52.037 0.054 0.000 0.810 240 A CB 0.863 19.871 19.000 0.014 0.000 1.198 240 A HN 0.491 nan 8.150 nan 0.000 0.484 241 L N 4.342 125.622 121.223 0.096 0.000 2.301 241 L HA 0.391 4.731 4.340 0.000 0.000 0.278 241 L C -0.615 176.294 176.870 0.065 0.000 1.022 241 L CA -0.307 54.599 54.840 0.110 0.000 0.854 241 L CB 0.751 42.861 42.059 0.085 0.000 1.226 241 L HN 0.484 nan 8.230 nan 0.000 0.429 242 I N 3.038 123.647 120.570 0.065 0.000 2.330 242 I HA 0.254 4.424 4.170 0.000 0.000 0.289 242 I C 0.568 176.707 176.117 0.036 0.000 1.001 242 I CA -0.360 60.962 61.300 0.037 0.000 1.193 242 I CB 1.257 39.272 38.000 0.025 0.000 1.345 242 I HN 0.445 nan 8.210 nan 0.000 0.461 243 N N 6.275 124.987 118.700 0.021 0.000 3.170 243 N HA 0.188 4.928 4.740 0.000 0.000 0.305 243 N C -0.496 175.020 175.510 0.010 0.000 1.499 243 N CA 0.017 53.078 53.050 0.017 0.000 1.110 243 N CB 0.410 38.903 38.487 0.010 0.000 1.390 243 N HN 0.732 nan 8.380 nan 0.000 0.508 244 E N -0.159 120.049 120.200 0.012 0.000 2.390 244 E HA 0.586 4.936 4.350 0.000 0.000 0.280 244 E C -1.568 175.040 176.600 0.014 0.000 0.992 244 E CA -0.975 55.430 56.400 0.008 0.000 0.790 244 E CB 1.400 31.099 29.700 -0.002 0.000 1.248 244 E HN 0.243 nan 8.360 nan 0.000 0.447 245 A N 2.932 125.761 122.820 0.014 0.000 2.320 245 A HA 0.404 4.724 4.320 0.000 0.000 0.287 245 A C -0.511 177.088 177.584 0.024 0.000 1.181 245 A CA -0.418 51.632 52.037 0.021 0.000 0.831 245 A CB 0.242 19.254 19.000 0.020 0.000 1.102 245 A HN 0.415 nan 8.150 nan 0.000 0.513 246 L N 3.747 124.988 121.223 0.031 0.000 2.480 246 L HA 0.240 4.580 4.340 0.000 0.000 0.243 246 L C 0.551 177.449 176.870 0.047 0.000 1.315 246 L CA 0.663 55.526 54.840 0.038 0.000 1.231 246 L CB -1.270 40.813 42.059 0.041 0.000 1.444 246 L HN 0.838 nan 8.230 nan 0.000 0.409 247 E N -1.086 119.140 120.200 0.042 0.000 2.413 247 E HA 0.364 4.714 4.350 0.000 0.000 0.277 247 E C -0.836 175.789 176.600 0.042 0.000 0.958 247 E CA -1.136 55.291 56.400 0.045 0.000 0.779 247 E CB 1.560 31.282 29.700 0.037 0.000 1.278 247 E HN -0.206 nan 8.360 nan 0.000 0.456 248 V N 2.447 122.388 119.914 0.046 0.000 2.536 248 V HA -0.111 4.009 4.120 0.000 0.000 0.287 248 V C 0.538 176.652 176.094 0.033 0.000 0.979 248 V CA 0.723 63.049 62.300 0.044 0.000 1.161 248 V CB -1.257 30.593 31.823 0.045 0.000 0.915 248 V HN 0.507 nan 8.190 nan 0.000 0.467 249 K N 5.053 125.472 120.400 0.031 0.000 2.355 249 K HA 0.356 4.676 4.320 0.000 0.000 0.270 249 K C -0.101 176.512 176.600 0.023 0.000 1.003 249 K CA -0.191 56.110 56.287 0.024 0.000 0.957 249 K CB 0.782 33.294 32.500 0.020 0.000 0.939 249 K HN 0.598 nan 8.250 nan 0.000 0.482 250 K N 0.597 121.007 120.400 0.016 0.000 2.400 250 K HA 0.250 4.570 4.320 0.000 0.000 0.246 250 K C -0.540 176.067 176.600 0.012 0.000 0.995 250 K CA -0.837 55.458 56.287 0.014 0.000 0.840 250 K CB 1.849 34.354 32.500 0.008 0.000 1.293 250 K HN 0.626 nan 8.250 nan 0.000 0.445 251 T N -1.238 113.322 114.554 0.011 0.000 2.910 251 T HA 0.111 4.461 4.350 0.000 0.000 0.293 251 T C 1.006 175.710 174.700 0.006 0.000 1.015 251 T CA -0.590 61.516 62.100 0.009 0.000 1.094 251 T CB 1.372 70.247 68.868 0.011 0.000 0.968 251 T HN 0.561 nan 8.240 nan 0.000 0.521 252 E N 1.385 121.589 120.200 0.005 0.000 2.077 252 E HA -0.028 4.322 4.350 0.000 0.000 0.193 252 E C 0.684 177.286 176.600 0.003 0.000 0.989 252 E CA 1.024 57.426 56.400 0.003 0.000 0.800 252 E CB -0.489 29.213 29.700 0.003 0.000 0.746 252 E HN 0.785 nan 8.360 nan 0.000 0.452 253 T N 1.847 116.403 114.554 0.004 0.000 2.888 253 T HA -0.012 4.338 4.350 0.000 0.000 0.301 253 T C -0.196 174.505 174.700 0.002 0.000 1.001 253 T CA -0.310 61.792 62.100 0.003 0.000 1.147 253 T CB 0.555 69.426 68.868 0.005 0.000 0.931 253 T HN 0.078 nan 8.240 nan 0.000 0.541 254 D N 1.735 122.135 120.400 0.000 0.000 2.506 254 D HA 0.337 4.977 4.640 0.000 0.000 0.234 254 D C -0.306 175.992 176.300 -0.003 0.000 1.143 254 D CA 0.392 54.390 54.000 -0.003 0.000 0.871 254 D CB 0.362 41.159 40.800 -0.004 0.000 1.190 254 D HN 0.735 nan 8.370 nan 0.000 0.459 255 A N 2.789 125.605 122.820 -0.007 0.000 2.604 255 A HA 0.650 4.970 4.320 0.000 0.000 0.295 255 A C -1.087 176.483 177.584 -0.024 0.000 1.067 255 A CA -0.823 51.208 52.037 -0.010 0.000 0.683 255 A CB 1.608 20.606 19.000 -0.003 0.000 1.281 255 A HN 0.527 nan 8.150 nan 0.000 0.407 256 K N 1.438 121.818 120.400 -0.033 0.000 2.546 256 K HA 0.642 4.963 4.320 0.000 0.000 0.264 256 K C -1.680 174.869 176.600 -0.086 0.000 0.937 256 K CA -0.660 55.592 56.287 -0.058 0.000 0.833 256 K CB 1.530 34.001 32.500 -0.048 0.000 1.378 256 K HN 0.673 nan 8.250 nan 0.000 0.432 257 I N 3.294 123.771 120.570 -0.156 0.000 2.395 257 I HA 0.165 4.335 4.170 0.000 0.000 0.289 257 I C -0.311 175.696 176.117 -0.184 0.000 1.023 257 I CA -0.773 60.373 61.300 -0.256 0.000 1.350 257 I CB 0.998 38.658 38.000 -0.568 0.000 1.409 257 I HN 0.425 nan 8.210 nan 0.000 0.507 258 N N 7.503 126.138 118.700 -0.109 0.000 2.817 258 N HA 0.298 5.038 4.740 0.000 0.000 0.234 258 N C -0.542 174.971 175.510 0.004 0.000 1.066 258 N CA -0.551 52.475 53.050 -0.040 0.000 0.926 258 N CB 0.967 39.455 38.487 0.000 0.000 1.176 258 N HN 0.385 nan 8.380 nan 0.000 0.506 259 I N 1.414 121.973 120.570 -0.018 0.000 2.668 259 I HA -0.078 4.092 4.170 0.000 0.000 0.285 259 I C 1.982 178.136 176.117 0.062 0.000 1.168 259 I CA 0.619 61.956 61.300 0.063 0.000 1.424 259 I CB 0.622 38.645 38.000 0.038 0.000 1.377 259 I HN 0.464 nan 8.210 nan 0.000 0.560 260 T N 0.275 114.882 114.554 0.088 0.000 2.969 260 T HA 0.267 4.617 4.350 0.000 0.000 0.250 260 T C 0.421 175.151 174.700 0.049 0.000 1.021 260 T CA 0.414 62.549 62.100 0.058 0.000 1.003 260 T CB 0.080 68.983 68.868 0.058 0.000 1.040 260 T HN 0.555 nan 8.240 nan 0.000 0.492 261 S N 0.495 116.232 115.700 0.060 0.000 2.546 261 S HA 0.582 5.052 4.470 0.000 0.000 0.274 261 S C -2.679 171.951 174.600 0.050 0.000 1.121 261 S CA -1.296 56.930 58.200 0.044 0.000 0.887 261 S CB 1.848 65.068 63.200 0.033 0.000 1.094 261 S HN -0.182 nan 8.310 nan 0.000 0.474 262 P HA -0.248 nan 4.420 nan 0.000 0.217 262 P C 1.117 178.441 177.300 0.040 0.000 1.158 262 P CA 1.937 65.058 63.100 0.036 0.000 0.887 262 P CB -0.163 31.551 31.700 0.024 0.000 0.792 263 D N -1.133 119.285 120.400 0.030 0.000 2.384 263 D HA -0.192 4.448 4.640 0.000 0.000 0.222 263 D C 1.401 177.718 176.300 0.029 0.000 0.976 263 D CA 0.760 54.773 54.000 0.021 0.000 0.915 263 D CB -0.392 40.411 40.800 0.005 0.000 0.896 263 D HN 0.334 nan 8.370 nan 0.000 0.523 264 Q N 0.377 120.218 119.800 0.069 0.000 2.137 264 Q HA 0.011 4.351 4.340 0.000 0.000 0.198 264 Q C 2.752 178.896 176.000 0.241 0.000 0.960 264 Q CA 0.309 56.198 55.803 0.143 0.000 0.847 264 Q CB 0.036 28.921 28.738 0.246 0.000 0.915 264 Q HN 0.422 nan 8.270 nan 0.000 0.448 265 L N 0.190 121.512 121.223 0.165 0.000 1.971 265 L HA -0.260 4.080 4.340 0.000 0.000 0.215 265 L C 2.585 179.536 176.870 0.136 0.000 1.072 265 L CA 1.132 56.058 54.840 0.143 0.000 0.758 265 L CB -0.594 41.511 42.059 0.078 0.000 0.889 265 L HN 0.282 nan 8.230 nan 0.000 0.433 266 M N 0.118 119.768 119.600 0.084 0.000 2.065 266 M HA -0.174 4.306 4.480 0.000 0.000 0.259 266 M C 2.772 179.104 176.300 0.053 0.000 1.071 266 M CA 2.376 57.711 55.300 0.058 0.000 1.109 266 M CB -1.413 31.205 32.600 0.031 0.000 1.313 266 M HN 0.444 nan 8.290 nan 0.000 0.408 267 S N -0.259 115.446 115.700 0.010 0.000 2.387 267 S HA -0.171 4.299 4.470 0.000 0.000 0.230 267 S C 2.020 176.574 174.600 -0.076 0.000 1.035 267 S CA 1.323 59.483 58.200 -0.067 0.000 1.014 267 S CB -1.211 61.894 63.200 -0.159 0.000 0.836 267 S HN 0.388 nan 8.310 nan 0.000 0.466 268 F N 0.973 120.931 119.950 0.013 0.000 2.163 268 F HA 0.100 4.627 4.527 0.000 0.000 0.297 268 F C 2.138 177.949 175.800 0.019 0.000 1.094 268 F CA 0.553 58.562 58.000 0.015 0.000 1.290 268 F CB -0.288 38.719 39.000 0.012 0.000 1.017 268 F HN 0.169 nan 8.300 nan 0.000 0.483 269 L N 0.306 121.655 121.223 0.209 0.000 2.017 269 L HA -0.221 4.119 4.340 0.000 0.000 0.208 269 L C 2.184 179.115 176.870 0.102 0.000 1.073 269 L CA 1.770 56.687 54.840 0.129 0.000 0.745 269 L CB -0.995 41.118 42.059 0.089 0.000 0.894 269 L HN 0.140 nan 8.230 nan 0.000 0.432 270 E N -1.068 119.179 120.200 0.079 0.000 2.085 270 E HA -0.319 4.031 4.350 0.000 0.000 0.194 270 E C 2.119 178.756 176.600 0.061 0.000 0.994 270 E CA 1.177 57.613 56.400 0.061 0.000 0.801 270 E CB -0.231 29.488 29.700 0.032 0.000 0.743 270 E HN 0.378 nan 8.360 nan 0.000 0.453 271 Q N 1.328 121.160 119.800 0.053 0.000 2.234 271 Q HA -0.192 4.148 4.340 0.000 0.000 0.206 271 Q C 1.484 177.532 176.000 0.080 0.000 0.980 271 Q CA 1.560 57.393 55.803 0.050 0.000 0.869 271 Q CB 0.068 28.829 28.738 0.039 0.000 0.912 271 Q HN 0.361 nan 8.270 nan 0.000 0.436 272 E N -0.379 119.883 120.200 0.103 0.000 2.122 272 E HA -0.095 4.256 4.350 0.000 0.000 0.190 272 E C 1.865 178.529 176.600 0.106 0.000 0.977 272 E CA 0.720 57.180 56.400 0.100 0.000 0.820 272 E CB -0.001 29.759 29.700 0.100 0.000 0.770 272 E HN 0.525 nan 8.360 nan 0.000 0.462 273 E N 1.525 121.797 120.200 0.121 0.000 2.097 273 E HA -0.235 4.115 4.350 0.000 0.000 0.196 273 E C 2.072 178.766 176.600 0.157 0.000 1.000 273 E CA 1.018 57.529 56.400 0.185 0.000 0.804 273 E CB -0.101 29.719 29.700 0.200 0.000 0.740 273 E HN 0.095 nan 8.360 nan 0.000 0.454 274 K N 0.808 121.258 120.400 0.083 0.000 2.009 274 K HA -0.166 4.154 4.320 0.000 0.000 0.210 274 K C 2.275 178.887 176.600 0.020 0.000 1.049 274 K CA 1.486 57.787 56.287 0.022 0.000 0.929 274 K CB -0.066 32.444 32.500 0.016 0.000 0.714 274 K HN 0.058 nan 8.250 nan 0.000 0.440 275 M N 0.447 120.075 119.600 0.047 0.000 2.106 275 M HA -0.236 4.244 4.480 0.000 0.000 0.259 275 M C 2.160 178.492 176.300 0.054 0.000 1.068 275 M CA 1.327 56.656 55.300 0.048 0.000 1.100 275 M CB -0.369 32.265 32.600 0.058 0.000 1.351 275 M HN 0.140 nan 8.290 nan 0.000 0.404 276 L N 0.407 121.680 121.223 0.084 0.000 1.976 276 L HA -0.182 4.158 4.340 0.000 0.000 0.209 276 L C 2.461 179.381 176.870 0.084 0.000 1.071 276 L CA 1.905 56.814 54.840 0.116 0.000 0.746 276 L CB -0.943 41.232 42.059 0.193 0.000 0.890 276 L HN 0.252 nan 8.230 nan 0.000 0.432 277 K N -0.664 119.736 120.400 -0.000 0.000 2.103 277 K HA -0.209 4.111 4.320 0.000 0.000 0.207 277 K C 1.654 178.154 176.600 -0.166 0.000 1.048 277 K CA 1.651 57.761 56.287 -0.293 0.000 0.930 277 K CB -0.083 31.957 32.500 -0.768 0.000 0.716 277 K HN 0.314 nan 8.250 nan 0.000 0.444 278 D N 0.453 120.804 120.400 -0.081 0.000 2.178 278 D HA -0.159 4.481 4.640 0.000 0.000 0.201 278 D C 1.892 178.211 176.300 0.032 0.000 0.980 278 D CA 1.183 55.159 54.000 -0.041 0.000 0.842 278 D CB -0.002 40.801 40.800 0.006 0.000 0.948 278 D HN 0.371 nan 8.370 nan 0.000 0.472 279 M N -0.008 119.620 119.600 0.048 0.000 2.156 279 M HA -0.104 4.376 4.480 0.000 0.000 0.264 279 M C 2.338 178.652 176.300 0.024 0.000 1.067 279 M CA 0.741 56.085 55.300 0.073 0.000 1.131 279 M CB -0.048 32.580 32.600 0.047 0.000 1.368 279 M HN -0.129 nan 8.290 nan 0.000 0.416 280 V N 0.596 120.489 119.914 -0.034 0.000 2.407 280 V HA -0.270 3.850 4.120 0.000 0.000 0.248 280 V C 1.741 177.679 176.094 -0.259 0.000 1.055 280 V CA 1.747 63.972 62.300 -0.126 0.000 1.049 280 V CB -0.766 30.998 31.823 -0.098 0.000 0.662 280 V HN 0.403 nan 8.190 nan 0.000 0.455 281 D N -1.171 119.099 120.400 -0.216 0.000 2.117 281 D HA -0.154 4.487 4.640 0.000 0.000 0.197 281 D C 2.130 178.326 176.300 -0.173 0.000 0.987 281 D CA 1.161 55.021 54.000 -0.234 0.000 0.829 281 D CB -0.329 40.367 40.800 -0.173 0.000 0.961 281 D HN 0.467 nan 8.370 nan 0.000 0.460 282 H N 0.170 119.175 119.070 -0.107 0.000 2.456 282 H HA -0.016 4.540 4.556 0.000 0.000 0.296 282 H C 2.284 177.563 175.328 -0.082 0.000 1.079 282 H CA 0.653 56.657 56.048 -0.074 0.000 1.322 282 H CB 0.176 29.907 29.762 -0.052 0.000 1.388 282 H HN 0.236 nan 8.280 nan 0.000 0.538 283 I N -0.192 120.381 120.570 0.005 0.000 2.339 283 I HA -0.137 4.033 4.170 0.000 0.000 0.245 283 I C 2.772 178.834 176.117 -0.092 0.000 1.096 283 I CA 0.739 62.012 61.300 -0.044 0.000 1.408 283 I CB -0.221 37.736 38.000 -0.073 0.000 1.092 283 I HN 0.100 nan 8.210 nan 0.000 0.423 284 A N 0.396 123.098 122.820 -0.198 0.000 1.902 284 A HA -0.264 4.056 4.320 0.000 0.000 0.217 284 A C 2.161 179.704 177.584 -0.068 0.000 1.181 284 A CA 1.520 53.440 52.037 -0.196 0.000 0.623 284 A CB -0.737 17.987 19.000 -0.460 0.000 0.818 284 A HN 0.481 nan 8.150 nan 0.000 0.443 285 Q N -0.394 119.369 119.800 -0.061 0.000 2.515 285 Q HA -0.123 4.217 4.340 0.000 0.000 0.215 285 Q C 1.803 177.801 176.000 -0.004 0.000 0.983 285 Q CA 1.540 57.329 55.803 -0.023 0.000 0.905 285 Q CB -0.414 28.298 28.738 -0.043 0.000 0.961 285 Q HN 0.919 nan 8.270 nan 0.000 0.503 286 T N -5.082 109.470 114.554 -0.003 0.000 3.057 286 T HA 0.289 4.639 4.350 0.000 0.000 0.254 286 T C 1.425 176.130 174.700 0.008 0.000 1.094 286 T CA 0.514 62.619 62.100 0.008 0.000 1.088 286 T CB 0.725 69.601 68.868 0.012 0.000 0.934 286 T HN 0.380 nan 8.240 nan 0.000 0.497 287 G N 1.368 110.171 108.800 0.005 0.000 2.213 287 G HA2 -0.015 3.945 3.960 0.000 0.000 0.226 287 G HA3 -0.015 3.945 3.960 0.000 0.000 0.226 287 G C 0.376 175.282 174.900 0.011 0.000 0.992 287 G CA -0.192 44.915 45.100 0.012 0.000 0.632 287 G HN 1.150 nan 8.290 nan 0.000 0.511 288 A N 0.667 123.488 122.820 0.002 0.000 2.548 288 A HA 0.483 4.803 4.320 0.000 0.000 0.247 288 A C 1.069 178.644 177.584 -0.016 0.000 1.067 288 A CA 1.294 53.329 52.037 -0.003 0.000 0.757 288 A CB 0.017 19.009 19.000 -0.013 0.000 0.996 288 A HN 1.145 nan 8.150 nan 0.000 0.504 289 N N 0.787 119.480 118.700 -0.012 0.000 2.171 289 N HA 0.257 4.997 4.740 0.000 0.000 0.212 289 N C -0.756 174.720 175.510 -0.056 0.000 1.184 289 N CA -0.034 53.005 53.050 -0.018 0.000 0.888 289 N CB 0.730 39.220 38.487 0.006 0.000 1.038 289 N HN 0.229 nan 8.380 nan 0.000 0.517 290 V N 0.892 120.754 119.914 -0.086 0.000 2.612 290 V HA 0.455 4.575 4.120 0.000 0.000 0.301 290 V C -1.140 174.812 176.094 -0.236 0.000 1.059 290 V CA -0.830 61.356 62.300 -0.190 0.000 0.886 290 V CB 2.273 33.991 31.823 -0.175 0.000 1.007 290 V HN -0.045 nan 8.190 nan 0.000 0.426 291 V N 4.953 124.674 119.914 -0.322 0.000 2.487 291 V HA 0.576 4.696 4.120 0.000 0.000 0.298 291 V C -0.892 174.985 176.094 -0.360 0.000 1.028 291 V CA -0.622 61.533 62.300 -0.241 0.000 0.860 291 V CB 1.877 33.629 31.823 -0.119 0.000 0.991 291 V HN 0.679 nan 8.190 nan 0.000 0.427 292 F N 3.138 123.088 119.950 0.000 0.000 2.375 292 F HA 0.590 5.117 4.527 0.000 0.000 0.361 292 F C 0.022 175.821 175.800 -0.002 0.000 1.117 292 F CA -0.829 57.169 58.000 -0.002 0.000 1.037 292 F CB 1.934 40.929 39.000 -0.008 0.000 1.192 292 F HN 0.236 nan 8.300 nan 0.000 0.452 293 V N 4.263 124.270 119.914 0.156 0.000 2.394 293 V HA 0.135 4.255 4.120 0.000 0.000 0.282 293 V C 0.798 176.944 176.094 0.086 0.000 1.031 293 V CA -0.403 61.953 62.300 0.093 0.000 0.881 293 V CB 1.593 33.449 31.823 0.055 0.000 0.982 293 V HN 0.841 nan 8.190 nan 0.000 0.451 294 Q N 3.360 123.196 119.800 0.060 0.000 2.119 294 Q HA -0.061 4.279 4.340 0.000 0.000 0.201 294 Q C 1.011 177.030 176.000 0.032 0.000 0.972 294 Q CA 1.178 57.004 55.803 0.039 0.000 0.847 294 Q CB 0.303 29.055 28.738 0.024 0.000 0.903 294 Q HN 0.626 nan 8.270 nan 0.000 0.433 295 K N -0.558 119.861 120.400 0.031 0.000 2.720 295 K HA 0.372 4.692 4.320 0.000 0.000 0.281 295 K C 0.292 176.911 176.600 0.031 0.000 1.019 295 K CA -0.025 56.277 56.287 0.026 0.000 1.088 295 K CB -0.428 32.084 32.500 0.021 0.000 1.449 295 K HN 0.141 nan 8.250 nan 0.000 0.542 296 G N 0.119 108.935 108.800 0.028 0.000 2.580 296 G HA2 0.539 4.499 3.960 0.000 0.000 0.278 296 G HA3 0.539 4.499 3.960 0.000 0.000 0.278 296 G C -0.493 174.429 174.900 0.036 0.000 1.212 296 G CA -0.602 44.517 45.100 0.031 0.000 0.939 296 G HN 0.336 nan 8.290 nan 0.000 0.513 297 I N 0.494 121.089 120.570 0.041 0.000 2.497 297 I HA 0.131 4.301 4.170 0.000 0.000 0.284 297 I C -0.671 175.480 176.117 0.056 0.000 1.060 297 I CA -0.614 60.716 61.300 0.050 0.000 1.071 297 I CB 1.910 39.942 38.000 0.054 0.000 1.216 297 I HN 0.421 nan 8.210 nan 0.000 0.442 298 D N 3.949 124.384 120.400 0.058 0.000 2.383 298 D HA -0.094 4.546 4.640 0.000 0.000 0.233 298 D C 0.982 177.324 176.300 0.069 0.000 1.233 298 D CA 0.758 54.793 54.000 0.058 0.000 0.881 298 D CB 0.889 41.728 40.800 0.065 0.000 1.212 298 D HN 0.463 nan 8.370 nan 0.000 0.467 299 D N 0.763 121.198 120.400 0.059 0.000 2.219 299 D HA -0.094 4.546 4.640 0.000 0.000 0.205 299 D C 1.937 178.283 176.300 0.077 0.000 0.970 299 D CA 0.599 54.642 54.000 0.071 0.000 0.851 299 D CB 0.139 40.963 40.800 0.040 0.000 0.943 299 D HN 0.346 nan 8.370 nan 0.000 0.488 300 L N 0.672 121.921 121.223 0.045 0.000 2.127 300 L HA -0.026 4.315 4.340 0.000 0.000 0.203 300 L C 2.529 179.441 176.870 0.070 0.000 1.080 300 L CA 0.645 55.477 54.840 -0.012 0.000 0.768 300 L CB -0.257 41.806 42.059 0.006 0.000 0.924 300 L HN -0.058 nan 8.230 nan 0.000 0.444 301 A N -0.580 122.331 122.820 0.152 0.000 1.978 301 A HA -0.274 4.046 4.320 0.000 0.000 0.220 301 A C 2.130 179.797 177.584 0.138 0.000 1.170 301 A CA 1.600 53.754 52.037 0.195 0.000 0.636 301 A CB -0.410 18.668 19.000 0.131 0.000 0.810 301 A HN 0.494 nan 8.150 nan 0.000 0.448 302 Q N -1.618 118.249 119.800 0.111 0.000 2.046 302 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 302 Q C 2.219 178.197 176.000 -0.037 0.000 0.975 302 Q CA 1.436 57.299 55.803 0.099 0.000 0.836 302 Q CB -0.356 28.522 28.738 0.233 0.000 0.896 302 Q HN 0.916 nan 8.270 nan 0.000 0.428 303 H N -0.326 118.666 119.070 -0.131 0.000 2.319 303 H HA -0.182 4.374 4.556 0.000 0.000 0.299 303 H C 1.655 176.863 175.328 -0.201 0.000 1.092 303 H CA 1.739 57.614 56.048 -0.288 0.000 1.302 303 H CB -0.028 29.579 29.762 -0.260 0.000 1.373 303 H HN 0.273 nan 8.280 nan 0.000 0.497 304 Y N 0.817 121.172 120.300 0.092 0.000 2.145 304 Y HA -0.160 4.390 4.550 0.000 0.000 0.286 304 Y C 3.109 179.091 175.900 0.138 0.000 1.145 304 Y CA 0.898 59.083 58.100 0.140 0.000 1.148 304 Y CB -0.801 37.788 38.460 0.215 0.000 0.981 304 Y HN 0.127 nan 8.280 nan 0.000 0.507 305 L N -0.915 120.402 121.223 0.158 0.000 2.079 305 L HA -0.290 4.050 4.340 0.000 0.000 0.210 305 L C 2.554 179.429 176.870 0.009 0.000 1.081 305 L CA 1.223 56.088 54.840 0.042 0.000 0.752 305 L CB -0.668 41.384 42.059 -0.012 0.000 0.896 305 L HN 0.257 nan 8.230 nan 0.000 0.433 306 A N -0.401 122.328 122.820 -0.151 0.000 1.929 306 A HA -0.193 4.127 4.320 0.000 0.000 0.216 306 A C 2.287 179.775 177.584 -0.159 0.000 1.176 306 A CA 1.377 53.268 52.037 -0.243 0.000 0.628 306 A CB -0.267 18.370 19.000 -0.605 0.000 0.816 306 A HN 0.279 nan 8.150 nan 0.000 0.444 307 K N -1.337 118.957 120.400 -0.176 0.000 2.147 307 K HA -0.141 4.179 4.320 0.000 0.000 0.205 307 K C 0.999 177.544 176.600 -0.092 0.000 1.049 307 K CA 1.517 57.705 56.287 -0.166 0.000 0.936 307 K CB -0.283 32.091 32.500 -0.211 0.000 0.722 307 K HN 0.637 nan 8.250 nan 0.000 0.446 308 Y N 0.201 120.459 120.300 -0.070 0.000 2.477 308 Y HA 0.121 4.671 4.550 0.000 0.000 0.303 308 Y C 1.278 177.149 175.900 -0.048 0.000 1.202 308 Y CA 0.326 58.399 58.100 -0.044 0.000 1.282 308 Y CB -0.093 38.350 38.460 -0.029 0.000 1.071 308 Y HN 0.181 nan 8.280 nan 0.000 0.510 309 G N 1.059 109.898 108.800 0.066 0.000 2.283 309 G HA2 -0.316 3.644 3.960 0.000 0.000 0.280 309 G HA3 -0.316 3.644 3.960 0.000 0.000 0.280 309 G C 0.064 174.977 174.900 0.023 0.000 1.029 309 G CA 0.179 45.293 45.100 0.024 0.000 0.840 309 G HN 0.403 nan 8.290 nan 0.000 0.505 310 I N 0.057 120.641 120.570 0.023 0.000 2.385 310 I HA 0.410 4.580 4.170 0.000 0.000 0.294 310 I C 0.778 176.868 176.117 -0.044 0.000 0.988 310 I CA -0.666 60.625 61.300 -0.016 0.000 1.265 310 I CB 1.640 39.620 38.000 -0.034 0.000 1.388 310 I HN 0.226 nan 8.210 nan 0.000 0.480 311 M N 6.524 126.081 119.600 -0.072 0.000 2.113 311 M HA 0.620 5.100 4.480 0.000 0.000 0.352 311 M C -0.888 175.316 176.300 -0.160 0.000 1.170 311 M CA -0.219 55.027 55.300 -0.091 0.000 1.053 311 M CB 0.884 33.429 32.600 -0.092 0.000 1.601 311 M HN 0.721 nan 8.290 nan 0.000 0.459 312 A N 4.777 127.527 122.820 -0.116 0.000 2.413 312 A HA 0.863 5.183 4.320 0.000 0.000 0.307 312 A C -1.475 176.061 177.584 -0.079 0.000 1.087 312 A CA -0.650 51.306 52.037 -0.137 0.000 0.750 312 A CB 1.829 20.787 19.000 -0.070 0.000 1.296 312 A HN 0.644 nan 8.150 nan 0.000 0.423 313 V N 1.796 121.671 119.914 -0.066 0.000 2.709 313 V HA 0.635 4.756 4.120 0.000 0.000 0.308 313 V C 0.063 176.216 176.094 0.097 0.000 1.062 313 V CA -0.803 61.533 62.300 0.059 0.000 0.901 313 V CB 1.642 33.582 31.823 0.194 0.000 1.003 313 V HN 1.184 nan 8.190 nan 0.000 0.425 314 R N 2.182 122.732 120.500 0.083 0.000 2.981 314 R HA 0.799 5.139 4.340 0.000 0.000 0.228 314 R C -0.235 176.105 176.300 0.067 0.000 1.421 314 R CA -1.049 55.094 56.100 0.072 0.000 1.073 314 R CB 0.405 30.736 30.300 0.052 0.000 1.568 314 R HN 0.321 nan 8.270 nan 0.000 0.514 315 R N -0.580 119.949 120.500 0.048 0.000 3.266 315 R HA -0.121 4.219 4.340 0.000 0.000 0.245 315 R C -0.922 175.398 176.300 0.032 0.000 0.941 315 R CA 0.654 56.774 56.100 0.034 0.000 0.638 315 R CB -1.953 28.362 30.300 0.025 0.000 1.019 315 R HN 0.387 nan 8.270 nan 0.000 0.462 316 V N 1.261 121.200 119.914 0.042 0.000 2.461 316 V HA 0.085 4.205 4.120 0.000 0.000 0.275 316 V C 1.110 177.198 176.094 -0.009 0.000 1.047 316 V CA -0.495 61.817 62.300 0.020 0.000 0.955 316 V CB 1.402 33.252 31.823 0.045 0.000 0.988 316 V HN 0.265 nan 8.190 nan 0.000 0.471 317 K N 3.585 123.968 120.400 -0.029 0.000 2.524 317 K HA -0.068 4.252 4.320 0.000 0.000 0.279 317 K C 1.335 177.911 176.600 -0.039 0.000 0.993 317 K CA 0.173 56.441 56.287 -0.033 0.000 1.030 317 K CB 0.529 33.004 32.500 -0.042 0.000 0.891 317 K HN 0.623 nan 8.250 nan 0.000 0.488 318 K N 2.047 122.430 120.400 -0.027 0.000 2.152 318 K HA -0.203 4.117 4.320 0.000 0.000 0.206 318 K C 1.692 178.269 176.600 -0.039 0.000 1.048 318 K CA 2.073 58.344 56.287 -0.027 0.000 0.933 318 K CB 0.051 32.540 32.500 -0.018 0.000 0.721 318 K HN 0.656 nan 8.250 nan 0.000 0.447 319 S N 0.131 115.805 115.700 -0.042 0.000 2.406 319 S HA -0.114 4.357 4.470 0.000 0.000 0.228 319 S C 1.436 175.993 174.600 -0.072 0.000 1.020 319 S CA 1.139 59.310 58.200 -0.049 0.000 0.965 319 S CB -0.168 63.007 63.200 -0.042 0.000 0.798 319 S HN 0.295 nan 8.310 nan 0.000 0.488 320 D N 1.564 121.910 120.400 -0.090 0.000 2.103 320 D HA 0.048 4.688 4.640 0.000 0.000 0.199 320 D C 2.112 178.316 176.300 -0.160 0.000 0.978 320 D CA 1.030 54.947 54.000 -0.139 0.000 0.829 320 D CB -0.270 40.434 40.800 -0.160 0.000 0.981 320 D HN 0.256 nan 8.370 nan 0.000 0.464 321 M N 0.607 120.133 119.600 -0.122 0.000 2.080 321 M HA -0.145 4.335 4.480 0.000 0.000 0.260 321 M C 1.962 178.214 176.300 -0.080 0.000 1.068 321 M CA 1.371 56.611 55.300 -0.099 0.000 1.109 321 M CB -1.003 31.570 32.600 -0.046 0.000 1.342 321 M HN 0.121 nan 8.290 nan 0.000 0.405 322 E N -0.013 120.148 120.200 -0.065 0.000 2.204 322 E HA -0.170 4.180 4.350 0.000 0.000 0.195 322 E C 2.051 178.613 176.600 -0.063 0.000 0.990 322 E CA 0.961 57.330 56.400 -0.051 0.000 0.821 322 E CB -0.017 29.658 29.700 -0.041 0.000 0.750 322 E HN 0.530 nan 8.360 nan 0.000 0.477 323 K N 0.364 120.712 120.400 -0.088 0.000 2.076 323 K HA -0.020 4.300 4.320 0.000 0.000 0.204 323 K C 2.175 178.713 176.600 -0.104 0.000 1.051 323 K CA 0.601 56.831 56.287 -0.096 0.000 0.949 323 K CB -0.001 32.429 32.500 -0.115 0.000 0.726 323 K HN 0.071 nan 8.250 nan 0.000 0.443 324 L N 0.836 121.973 121.223 -0.143 0.000 2.083 324 L HA -0.197 4.143 4.340 0.000 0.000 0.209 324 L C 2.589 179.420 176.870 -0.064 0.000 1.083 324 L CA 1.118 55.871 54.840 -0.145 0.000 0.752 324 L CB -0.606 41.303 42.059 -0.251 0.000 0.899 324 L HN 0.206 nan 8.230 nan 0.000 0.433 325 A N 0.092 122.882 122.820 -0.051 0.000 1.865 325 A HA -0.244 4.076 4.320 0.000 0.000 0.217 325 A C 2.372 179.945 177.584 -0.017 0.000 1.191 325 A CA 1.878 53.904 52.037 -0.019 0.000 0.623 325 A CB -0.393 18.596 19.000 -0.018 0.000 0.826 325 A HN 0.292 nan 8.150 nan 0.000 0.444 326 K N -0.758 119.624 120.400 -0.030 0.000 2.097 326 K HA 0.024 4.344 4.320 0.000 0.000 0.205 326 K C 2.214 178.800 176.600 -0.023 0.000 1.050 326 K CA 0.953 57.225 56.287 -0.025 0.000 0.938 326 K CB -0.217 32.264 32.500 -0.032 0.000 0.718 326 K HN 0.449 nan 8.250 nan 0.000 0.442 327 A N 0.644 123.443 122.820 -0.036 0.000 1.970 327 A HA -0.095 4.225 4.320 0.000 0.000 0.216 327 A C 2.019 179.590 177.584 -0.021 0.000 1.170 327 A CA 1.843 53.859 52.037 -0.035 0.000 0.645 327 A CB -0.399 18.567 19.000 -0.057 0.000 0.816 327 A HN 0.430 nan 8.150 nan 0.000 0.447 328 T N -5.538 109.010 114.554 -0.009 0.000 3.023 328 T HA 0.419 4.769 4.350 0.000 0.000 0.253 328 T C 1.377 176.104 174.700 0.044 0.000 1.038 328 T CA 1.090 63.199 62.100 0.014 0.000 0.962 328 T CB 0.313 69.198 68.868 0.029 0.000 1.018 328 T HN 1.625 nan 8.240 nan 0.000 0.521 329 G N 1.474 110.293 108.800 0.032 0.000 2.162 329 G HA2 -0.093 3.868 3.960 0.000 0.000 0.260 329 G HA3 -0.093 3.868 3.960 0.000 0.000 0.260 329 G C 0.369 175.293 174.900 0.041 0.000 0.976 329 G CA 0.036 45.159 45.100 0.038 0.000 0.655 329 G HN 1.210 nan 8.290 nan 0.000 0.533 330 A N -0.322 122.524 122.820 0.044 0.000 2.332 330 A HA 0.684 5.004 4.320 0.000 0.000 0.258 330 A C 0.529 178.132 177.584 0.032 0.000 1.087 330 A CA 0.297 52.363 52.037 0.048 0.000 0.802 330 A CB 0.506 19.546 19.000 0.066 0.000 1.042 330 A HN 0.410 nan 8.150 nan 0.000 0.489 331 K N 0.863 121.281 120.400 0.030 0.000 2.207 331 K HA 0.526 4.847 4.320 0.000 0.000 0.255 331 K C -1.013 175.599 176.600 0.021 0.000 0.941 331 K CA -0.330 55.968 56.287 0.019 0.000 0.825 331 K CB 1.866 34.374 32.500 0.014 0.000 1.119 331 K HN 0.615 nan 8.250 nan 0.000 0.430 332 I N 2.747 123.325 120.570 0.014 0.000 2.441 332 I HA 0.109 4.279 4.170 0.000 0.000 0.287 332 I C -0.213 175.909 176.117 0.008 0.000 1.049 332 I CA -0.636 60.672 61.300 0.014 0.000 1.381 332 I CB 0.991 38.996 38.000 0.008 0.000 1.409 332 I HN 0.165 nan 8.210 nan 0.000 0.523 333 V N 4.851 124.770 119.914 0.009 0.000 2.769 333 V HA 0.290 4.410 4.120 0.000 0.000 0.312 333 V C 0.491 176.582 176.094 -0.005 0.000 1.061 333 V CA -0.489 61.810 62.300 -0.002 0.000 0.931 333 V CB 1.619 33.438 31.823 -0.007 0.000 1.010 333 V HN 0.800 nan 8.190 nan 0.000 0.433 334 T N 1.246 115.792 114.554 -0.013 0.000 3.040 334 T HA 0.098 4.448 4.350 0.000 0.000 0.252 334 T C 0.679 175.364 174.700 -0.025 0.000 1.064 334 T CA 0.578 62.669 62.100 -0.014 0.000 1.110 334 T CB -0.101 68.759 68.868 -0.013 0.000 0.921 334 T HN 0.531 nan 8.240 nan 0.000 0.480 335 N N 1.600 120.276 118.700 -0.040 0.000 2.442 335 N HA 0.210 4.950 4.740 0.000 0.000 0.274 335 N C 1.010 176.461 175.510 -0.098 0.000 1.002 335 N CA -0.224 52.786 53.050 -0.067 0.000 0.910 335 N CB 2.028 40.471 38.487 -0.073 0.000 1.244 335 N HN -0.056 nan 8.380 nan 0.000 0.492 336 V N 2.538 122.383 119.914 -0.114 0.000 2.759 336 V HA -0.088 4.032 4.120 0.000 0.000 0.256 336 V C 1.859 177.752 176.094 -0.334 0.000 1.080 336 V CA 1.209 63.428 62.300 -0.135 0.000 1.101 336 V CB -0.527 31.253 31.823 -0.072 0.000 0.698 336 V HN 0.518 nan 8.190 nan 0.000 0.477 337 K N 0.640 120.745 120.400 -0.493 0.000 2.280 337 K HA -0.109 4.211 4.320 0.000 0.000 0.202 337 K C 0.792 177.168 176.600 -0.373 0.000 1.047 337 K CA 1.628 57.416 56.287 -0.831 0.000 0.942 337 K CB -0.123 32.109 32.500 -0.446 0.000 0.739 337 K HN 0.518 nan 8.250 nan 0.000 0.457 338 D N -0.109 120.178 120.400 -0.189 0.000 2.501 338 D HA 0.055 4.695 4.640 0.000 0.000 0.226 338 D C -0.965 175.311 176.300 -0.040 0.000 1.198 338 D CA -0.238 53.715 54.000 -0.079 0.000 0.830 338 D CB 0.343 41.109 40.800 -0.057 0.000 1.014 338 D HN -0.050 nan 8.370 nan 0.000 0.496 339 L N 1.988 123.188 121.223 -0.038 0.000 2.315 339 L HA 0.341 4.682 4.340 0.000 0.000 0.283 339 L C 0.407 177.288 176.870 0.019 0.000 1.089 339 L CA 0.118 54.955 54.840 -0.005 0.000 0.833 339 L CB 0.296 42.353 42.059 -0.002 0.000 1.170 339 L HN 0.048 nan 8.230 nan 0.000 0.442 340 T N 2.008 116.571 114.554 0.016 0.000 2.948 340 T HA 0.574 4.924 4.350 0.000 0.000 0.285 340 T C -2.062 172.649 174.700 0.019 0.000 1.019 340 T CA -1.855 60.257 62.100 0.020 0.000 1.013 340 T CB 1.572 70.449 68.868 0.015 0.000 1.117 340 T HN 0.420 nan 8.240 nan 0.000 0.533 341 P HA 0.097 nan 4.420 nan 0.000 0.226 341 P C 0.754 178.065 177.300 0.018 0.000 1.153 341 P CA 0.562 63.672 63.100 0.017 0.000 0.777 341 P CB 0.048 31.756 31.700 0.013 0.000 0.794 342 E N -0.879 119.330 120.200 0.016 0.000 2.482 342 E HA -0.083 4.267 4.350 0.000 0.000 0.196 342 E C 1.000 177.612 176.600 0.020 0.000 1.047 342 E CA 0.697 57.107 56.400 0.016 0.000 0.869 342 E CB -0.592 29.115 29.700 0.011 0.000 0.836 342 E HN 0.253 nan 8.360 nan 0.000 0.520 343 D N -0.527 119.886 120.400 0.021 0.000 2.354 343 D HA 0.051 4.691 4.640 0.000 0.000 0.209 343 D C 0.443 176.763 176.300 0.033 0.000 1.015 343 D CA 0.124 54.138 54.000 0.023 0.000 0.867 343 D CB 0.306 41.116 40.800 0.017 0.000 0.933 343 D HN 0.174 nan 8.370 nan 0.000 0.520 344 L N 0.259 121.504 121.223 0.037 0.000 2.466 344 L HA 0.452 4.792 4.340 0.000 0.000 0.257 344 L C 1.148 178.059 176.870 0.069 0.000 1.189 344 L CA -0.330 54.541 54.840 0.052 0.000 0.813 344 L CB 0.711 42.800 42.059 0.049 0.000 1.118 344 L HN -0.067 nan 8.230 nan 0.000 0.471 345 G N -0.540 108.315 108.800 0.091 0.000 2.630 345 G HA2 0.473 4.433 3.960 0.000 0.000 0.296 345 G HA3 0.473 4.433 3.960 0.000 0.000 0.296 345 G C -2.263 172.739 174.900 0.171 0.000 1.285 345 G CA -0.287 44.880 45.100 0.112 0.000 0.958 345 G HN 0.375 nan 8.290 nan 0.000 0.479 346 Y N 0.443 120.764 120.300 0.035 0.000 2.377 346 Y HA 0.705 5.255 4.550 0.000 0.000 0.339 346 Y C -0.268 175.658 175.900 0.043 0.000 1.011 346 Y CA -1.410 56.711 58.100 0.035 0.000 1.093 346 Y CB 1.898 40.373 38.460 0.025 0.000 1.201 346 Y HN 0.776 nan 8.280 nan 0.000 0.455 347 A N 5.623 128.015 122.820 -0.712 0.000 2.375 347 A HA 0.336 4.656 4.320 0.000 0.000 0.295 347 A C 0.626 177.724 177.584 -0.811 0.000 1.066 347 A CA -0.470 51.175 52.037 -0.653 0.000 0.722 347 A CB 1.074 19.956 19.000 -0.196 0.000 1.206 347 A HN 0.981 nan 8.150 nan 0.000 0.435 348 E N 1.357 121.114 120.200 -0.739 0.000 2.097 348 E HA -0.085 4.266 4.350 0.000 0.000 0.196 348 E C -0.162 176.390 176.600 -0.080 0.000 1.000 348 E CA 1.700 57.940 56.400 -0.267 0.000 0.804 348 E CB 0.118 29.764 29.700 -0.090 0.000 0.740 348 E HN 0.499 nan 8.360 nan 0.000 0.454 349 V N 0.469 120.335 119.914 -0.080 0.000 2.851 349 V HA 0.263 4.383 4.120 0.000 0.000 0.307 349 V C -1.053 175.052 176.094 0.018 0.000 1.129 349 V CA -0.862 61.432 62.300 -0.010 0.000 0.932 349 V CB 2.258 34.083 31.823 0.003 0.000 1.024 349 V HN -0.106 nan 8.190 nan 0.000 0.426 350 V N 3.860 123.801 119.914 0.045 0.000 2.380 350 V HA 0.609 4.729 4.120 0.000 0.000 0.286 350 V C -0.393 175.757 176.094 0.093 0.000 1.015 350 V CA -0.355 62.000 62.300 0.091 0.000 0.834 350 V CB 1.522 33.394 31.823 0.081 0.000 1.009 350 V HN 0.968 nan 8.190 nan 0.000 0.428 351 E N 3.174 123.458 120.200 0.140 0.000 2.340 351 E HA 0.454 4.804 4.350 0.000 0.000 0.273 351 E C -1.053 175.661 176.600 0.191 0.000 0.891 351 E CA -0.715 55.761 56.400 0.127 0.000 0.757 351 E CB 2.412 32.161 29.700 0.081 0.000 1.231 351 E HN 0.743 nan 8.360 nan 0.000 0.439 352 E N 4.309 124.593 120.200 0.140 0.000 2.046 352 E HA 0.252 4.603 4.350 0.000 0.000 0.279 352 E C -0.936 175.754 176.600 0.149 0.000 0.989 352 E CA -0.411 56.079 56.400 0.150 0.000 0.798 352 E CB 0.691 30.448 29.700 0.096 0.000 1.086 352 E HN 0.330 nan 8.360 nan 0.000 0.399 353 R N 3.334 123.972 120.500 0.230 0.000 2.532 353 R HA 0.257 4.597 4.340 0.000 0.000 0.295 353 R C -0.219 176.181 176.300 0.167 0.000 0.968 353 R CA -0.741 55.463 56.100 0.174 0.000 0.916 353 R CB 1.438 31.826 30.300 0.147 0.000 1.124 353 R HN 0.305 nan 8.270 nan 0.000 0.463 354 K N 3.471 123.932 120.400 0.101 0.000 2.222 354 K HA 0.112 4.432 4.320 0.000 0.000 0.243 354 K C -0.743 175.908 176.600 0.084 0.000 1.160 354 K CA -0.382 55.954 56.287 0.082 0.000 1.090 354 K CB 0.182 32.713 32.500 0.052 0.000 1.694 354 K HN 0.252 nan 8.250 nan 0.000 0.361 355 L N 3.611 124.908 121.223 0.123 0.000 2.363 355 L HA 0.196 4.536 4.340 0.000 0.000 0.286 355 L C -0.015 176.901 176.870 0.077 0.000 1.106 355 L CA 0.843 55.755 54.840 0.119 0.000 0.859 355 L CB -0.059 42.124 42.059 0.207 0.000 1.223 355 L HN 0.725 nan 8.230 nan 0.000 0.446 356 A N 3.710 126.563 122.820 0.055 0.000 2.815 356 A HA 0.104 4.424 4.320 0.000 0.000 0.292 356 A C 1.550 179.155 177.584 0.035 0.000 1.457 356 A CA 1.068 53.129 52.037 0.040 0.000 0.735 356 A CB -2.114 16.910 19.000 0.039 0.000 1.056 356 A HN 2.273 nan 8.150 nan 0.000 0.474 357 G N -1.823 106.997 108.800 0.034 0.000 2.302 357 G HA2 -0.251 3.710 3.960 0.000 0.000 0.263 357 G HA3 -0.251 3.710 3.960 0.000 0.000 0.263 357 G C 0.041 174.959 174.900 0.030 0.000 0.995 357 G CA 1.384 46.501 45.100 0.028 0.000 0.622 357 G HN 1.433 nan 8.290 nan 0.000 0.538 358 E N 1.202 121.423 120.200 0.035 0.000 2.156 358 E HA 0.489 4.839 4.350 0.000 0.000 0.279 358 E C 0.061 176.687 176.600 0.044 0.000 0.965 358 E CA -0.693 55.726 56.400 0.032 0.000 0.789 358 E CB 0.515 30.230 29.700 0.025 0.000 1.098 358 E HN 0.286 nan 8.360 nan 0.000 0.397 359 N N 3.296 122.019 118.700 0.038 0.000 2.514 359 N HA 0.335 5.076 4.740 0.000 0.000 0.277 359 N C -0.473 175.058 175.510 0.036 0.000 1.126 359 N CA 0.274 53.354 53.050 0.050 0.000 0.978 359 N CB 0.684 39.197 38.487 0.043 0.000 1.106 359 N HN 0.422 nan 8.380 nan 0.000 0.461 360 M N 1.489 121.120 119.600 0.051 0.000 2.618 360 M HA 0.504 4.984 4.480 0.000 0.000 0.281 360 M C -0.830 175.467 176.300 -0.005 0.000 1.267 360 M CA -0.617 54.663 55.300 -0.034 0.000 0.845 360 M CB 2.369 34.885 32.600 -0.140 0.000 1.732 360 M HN 0.173 nan 8.290 nan 0.000 0.461 361 I N 1.531 122.042 120.570 -0.099 0.000 2.389 361 I HA 0.413 4.583 4.170 0.000 0.000 0.288 361 I C -1.479 174.567 176.117 -0.118 0.000 0.999 361 I CA -0.357 60.953 61.300 0.017 0.000 1.129 361 I CB 1.205 39.284 38.000 0.131 0.000 1.288 361 I HN 0.460 nan 8.210 nan 0.000 0.444 362 F N 5.928 125.908 119.950 0.050 0.000 2.404 362 F HA 0.370 4.898 4.527 0.000 0.000 0.354 362 F C 0.195 176.015 175.800 0.035 0.000 1.122 362 F CA -0.682 57.333 58.000 0.025 0.000 1.080 362 F CB 1.499 40.505 39.000 0.011 0.000 1.131 362 F HN 0.018 nan 8.300 nan 0.000 0.471 363 V N 4.538 124.540 119.914 0.146 0.000 2.257 363 V HA 0.253 4.373 4.120 0.000 0.000 0.269 363 V C -0.165 175.965 176.094 0.060 0.000 1.040 363 V CA -0.585 61.773 62.300 0.097 0.000 0.813 363 V CB 0.225 32.078 31.823 0.050 0.000 1.065 363 V HN 0.765 nan 8.190 nan 0.000 0.457 364 E N 2.609 122.843 120.200 0.056 0.000 2.281 364 E HA 0.687 5.037 4.350 0.000 0.000 0.262 364 E C 0.562 177.132 176.600 -0.049 0.000 0.933 364 E CA -0.513 55.899 56.400 0.020 0.000 0.809 364 E CB 2.136 31.866 29.700 0.051 0.000 1.242 364 E HN 0.678 nan 8.360 nan 0.000 0.418 365 G N 0.570 109.343 108.800 -0.046 0.000 2.225 365 G HA2 -0.266 3.694 3.960 0.000 0.000 0.264 365 G HA3 -0.266 3.694 3.960 0.000 0.000 0.264 365 G C 0.154 174.974 174.900 -0.134 0.000 1.060 365 G CA 0.031 45.092 45.100 -0.065 0.000 0.833 365 G HN 0.593 nan 8.290 nan 0.000 0.498 366 C N -0.303 118.930 119.300 -0.112 0.000 2.705 366 C HA 0.421 4.881 4.460 0.000 0.000 0.382 366 C C 2.250 177.224 174.990 -0.028 0.000 1.322 366 C CA 0.374 59.314 59.018 -0.130 0.000 2.290 366 C CB 1.257 28.954 27.740 -0.072 0.000 2.650 366 C HN 0.786 nan 8.230 nan 0.000 0.695 367 K N 1.438 121.867 120.400 0.048 0.000 1.983 367 K HA -0.170 4.150 4.320 0.000 0.000 0.225 367 K C 0.499 177.138 176.600 0.065 0.000 1.030 367 K CA 1.758 58.119 56.287 0.125 0.000 1.027 367 K CB -0.207 32.398 32.500 0.175 0.000 0.757 367 K HN 0.718 nan 8.250 nan 0.000 0.444 368 N N 0.887 119.617 118.700 0.050 0.000 2.569 368 N HA 0.332 5.072 4.740 0.000 0.000 0.254 368 N C -2.816 172.704 175.510 0.016 0.000 1.004 368 N CA -2.041 51.026 53.050 0.029 0.000 0.904 368 N CB 1.680 40.183 38.487 0.027 0.000 1.165 368 N HN 0.013 nan 8.380 nan 0.000 0.513 369 P HA 0.091 nan 4.420 nan 0.000 0.266 369 P C -0.022 177.273 177.300 -0.009 0.000 1.195 369 P CA 0.089 63.184 63.100 -0.008 0.000 0.768 369 P CB 0.874 32.564 31.700 -0.017 0.000 0.838 370 K N 0.974 121.366 120.400 -0.015 0.000 2.358 370 K HA 0.438 4.758 4.320 0.000 0.000 0.200 370 K C -0.034 176.549 176.600 -0.027 0.000 1.030 370 K CA 0.053 56.330 56.287 -0.016 0.000 1.097 370 K CB 0.509 33.001 32.500 -0.013 0.000 0.862 370 K HN 0.496 nan 8.250 nan 0.000 0.534 371 A N -0.232 122.565 122.820 -0.038 0.000 2.449 371 A HA 0.747 5.067 4.320 0.000 0.000 0.302 371 A C -1.531 176.013 177.584 -0.066 0.000 1.048 371 A CA -0.677 51.325 52.037 -0.057 0.000 0.708 371 A CB 1.846 20.808 19.000 -0.064 0.000 1.274 371 A HN -0.061 nan 8.150 nan 0.000 0.410 372 V N 0.985 120.846 119.914 -0.088 0.000 3.012 372 V HA 0.765 4.885 4.120 0.000 0.000 0.307 372 V C -0.650 175.363 176.094 -0.135 0.000 1.166 372 V CA -0.214 62.032 62.300 -0.090 0.000 0.974 372 V CB 2.723 34.505 31.823 -0.068 0.000 1.040 372 V HN 1.066 nan 8.190 nan 0.000 0.428 373 T N 6.360 120.846 114.554 -0.113 0.000 2.855 373 T HA 0.637 4.987 4.350 0.000 0.000 0.281 373 T C -0.457 174.181 174.700 -0.104 0.000 1.007 373 T CA -0.192 61.825 62.100 -0.139 0.000 1.009 373 T CB 1.233 70.040 68.868 -0.102 0.000 0.983 373 T HN 0.482 nan 8.240 nan 0.000 0.455 374 I N 3.449 123.933 120.570 -0.142 0.000 2.354 374 I HA 0.288 4.458 4.170 0.000 0.000 0.286 374 I C -0.661 175.496 176.117 0.066 0.000 1.007 374 I CA -0.908 60.378 61.300 -0.024 0.000 1.167 374 I CB 1.383 39.388 38.000 0.009 0.000 1.320 374 I HN 0.316 nan 8.210 nan 0.000 0.458 375 L N 8.686 129.958 121.223 0.082 0.000 2.319 375 L HA 0.452 4.792 4.340 0.000 0.000 0.280 375 L C -0.422 176.506 176.870 0.096 0.000 1.099 375 L CA 0.312 55.214 54.840 0.104 0.000 0.828 375 L CB 0.493 42.643 42.059 0.152 0.000 1.150 375 L HN 0.371 nan 8.230 nan 0.000 0.442 376 I N 6.001 126.626 120.570 0.091 0.000 2.378 376 I HA 0.469 4.639 4.170 0.000 0.000 0.291 376 I C -0.176 175.961 176.117 0.034 0.000 0.992 376 I CA -0.815 60.521 61.300 0.059 0.000 1.154 376 I CB 0.934 38.969 38.000 0.058 0.000 1.315 376 I HN 0.530 nan 8.210 nan 0.000 0.448 377 R N 4.278 124.783 120.500 0.008 0.000 2.787 377 R HA 0.901 5.241 4.340 0.000 0.000 0.271 377 R C -0.247 176.038 176.300 -0.024 0.000 0.993 377 R CA -1.075 55.026 56.100 0.002 0.000 0.993 377 R CB 1.864 32.165 30.300 0.002 0.000 1.155 377 R HN 0.852 nan 8.270 nan 0.000 0.486 378 G N -1.315 107.478 108.800 -0.011 0.000 2.411 378 G HA2 0.331 4.291 3.960 0.000 0.000 0.295 378 G HA3 0.331 4.291 3.960 0.000 0.000 0.295 378 G C 0.300 175.205 174.900 0.008 0.000 1.542 378 G CA -0.292 44.800 45.100 -0.014 0.000 0.814 378 G HN 0.483 nan 8.290 nan 0.000 0.557 379 G N -0.775 108.034 108.800 0.015 0.000 2.459 379 G HA2 0.261 4.221 3.960 0.000 0.000 0.217 379 G HA3 0.261 4.221 3.960 0.000 0.000 0.217 379 G C 0.882 175.801 174.900 0.032 0.000 1.183 379 G CA 2.069 47.184 45.100 0.024 0.000 0.776 379 G HN 1.031 nan 8.290 nan 0.000 0.552 380 T N -1.756 112.825 114.554 0.045 0.000 2.926 380 T HA 0.420 4.770 4.350 0.000 0.000 0.289 380 T C 0.980 175.732 174.700 0.087 0.000 1.054 380 T CA -0.351 61.792 62.100 0.072 0.000 1.015 380 T CB 2.041 70.960 68.868 0.085 0.000 1.167 380 T HN 0.079 nan 8.240 nan 0.000 0.526 381 E N 0.175 120.442 120.200 0.112 0.000 2.118 381 E HA -0.143 4.207 4.350 0.000 0.000 0.195 381 E C 1.478 178.077 176.600 -0.001 0.000 0.992 381 E CA 1.879 58.305 56.400 0.044 0.000 0.804 381 E CB -0.126 29.584 29.700 0.017 0.000 0.741 381 E HN 0.675 nan 8.360 nan 0.000 0.458 382 H N -1.408 117.658 119.070 -0.007 0.000 2.395 382 H HA -0.013 4.544 4.556 0.000 0.000 0.299 382 H C 2.014 177.336 175.328 -0.011 0.000 1.070 382 H CA 1.308 57.351 56.048 -0.009 0.000 1.356 382 H CB -0.229 29.530 29.762 -0.005 0.000 1.401 382 H HN 0.024 nan 8.280 nan 0.000 0.524 383 V N 0.732 120.716 119.914 0.117 0.000 2.295 383 V HA -0.236 3.884 4.120 0.000 0.000 0.246 383 V C 2.338 178.441 176.094 0.016 0.000 1.049 383 V CA 1.774 64.108 62.300 0.057 0.000 1.024 383 V CB -0.575 31.274 31.823 0.042 0.000 0.648 383 V HN 0.350 nan 8.190 nan 0.000 0.447 384 I N 0.292 120.866 120.570 0.007 0.000 2.099 384 I HA -0.262 3.908 4.170 0.000 0.000 0.239 384 I C 2.438 178.529 176.117 -0.043 0.000 1.066 384 I CA 1.937 63.226 61.300 -0.018 0.000 1.324 384 I CB -0.672 37.320 38.000 -0.012 0.000 1.037 384 I HN 0.317 nan 8.210 nan 0.000 0.401 385 D N 0.480 120.847 120.400 -0.055 0.000 2.116 385 D HA -0.250 4.391 4.640 0.000 0.000 0.193 385 D C 2.045 178.297 176.300 -0.078 0.000 0.998 385 D CA 1.474 55.425 54.000 -0.082 0.000 0.836 385 D CB -0.350 40.383 40.800 -0.110 0.000 0.951 385 D HN 0.298 nan 8.370 nan 0.000 0.449 386 E N 0.431 120.604 120.200 -0.044 0.000 2.150 386 E HA -0.094 4.256 4.350 0.000 0.000 0.193 386 E C 2.048 178.618 176.600 -0.049 0.000 0.985 386 E CA 0.358 56.738 56.400 -0.034 0.000 0.814 386 E CB -0.037 29.666 29.700 0.005 0.000 0.752 386 E HN 0.052 nan 8.360 nan 0.000 0.466 387 V N 0.700 120.584 119.914 -0.050 0.000 2.427 387 V HA -0.194 3.926 4.120 0.000 0.000 0.248 387 V C 2.375 178.397 176.094 -0.120 0.000 1.051 387 V CA 2.036 64.301 62.300 -0.058 0.000 1.048 387 V CB -0.512 31.281 31.823 -0.049 0.000 0.666 387 V HN 0.374 nan 8.190 nan 0.000 0.456 388 E N 0.353 120.450 120.200 -0.171 0.000 2.077 388 E HA -0.236 4.114 4.350 0.000 0.000 0.193 388 E C 2.459 178.832 176.600 -0.379 0.000 0.989 388 E CA 1.206 57.394 56.400 -0.354 0.000 0.800 388 E CB -0.051 29.456 29.700 -0.322 0.000 0.746 388 E HN 0.494 nan 8.360 nan 0.000 0.452 389 R N -0.088 120.281 120.500 -0.219 0.000 2.096 389 R HA -0.107 4.233 4.340 0.000 0.000 0.235 389 R C 2.386 178.608 176.300 -0.130 0.000 1.127 389 R CA 1.064 57.066 56.100 -0.163 0.000 0.968 389 R CB -0.242 29.999 30.300 -0.098 0.000 0.861 389 R HN 0.189 nan 8.270 nan 0.000 0.440 390 A N 1.136 123.895 122.820 -0.102 0.000 1.873 390 A HA -0.129 4.191 4.320 0.000 0.000 0.215 390 A C 2.157 179.704 177.584 -0.062 0.000 1.186 390 A CA 1.046 53.050 52.037 -0.056 0.000 0.616 390 A CB -0.576 18.410 19.000 -0.024 0.000 0.823 390 A HN 0.188 nan 8.150 nan 0.000 0.442 391 L N -0.427 120.733 121.223 -0.105 0.000 2.079 391 L HA -0.242 4.098 4.340 0.000 0.000 0.210 391 L C 2.623 179.464 176.870 -0.049 0.000 1.081 391 L CA 1.699 56.502 54.840 -0.062 0.000 0.752 391 L CB -0.529 41.477 42.059 -0.088 0.000 0.896 391 L HN 0.509 nan 8.230 nan 0.000 0.433 392 E N -0.267 119.814 120.200 -0.198 0.000 2.110 392 E HA -0.212 4.138 4.350 0.000 0.000 0.193 392 E C 1.529 178.128 176.600 -0.002 0.000 0.988 392 E CA 1.228 57.571 56.400 -0.095 0.000 0.804 392 E CB -0.053 29.540 29.700 -0.179 0.000 0.745 392 E HN 0.548 nan 8.360 nan 0.000 0.458 393 D N 0.317 120.704 120.400 -0.021 0.000 2.249 393 D HA -0.018 4.622 4.640 0.000 0.000 0.205 393 D C 1.831 178.142 176.300 0.018 0.000 0.962 393 D CA 0.756 54.756 54.000 0.000 0.000 0.860 393 D CB -0.009 40.786 40.800 -0.009 0.000 0.955 393 D HN 0.110 nan 8.370 nan 0.000 0.505 394 A N 0.885 123.720 122.820 0.024 0.000 1.855 394 A HA -0.116 4.204 4.320 0.000 0.000 0.215 394 A C 2.488 180.104 177.584 0.053 0.000 1.191 394 A CA 1.062 53.121 52.037 0.038 0.000 0.613 394 A CB -0.755 18.272 19.000 0.046 0.000 0.829 394 A HN 0.121 nan 8.150 nan 0.000 0.442 395 V N -0.030 119.937 119.914 0.088 0.000 2.427 395 V HA -0.220 3.900 4.120 0.000 0.000 0.248 395 V C 2.437 178.571 176.094 0.067 0.000 1.051 395 V CA 2.259 64.618 62.300 0.099 0.000 1.048 395 V CB -0.583 31.348 31.823 0.179 0.000 0.666 395 V HN 0.525 nan 8.190 nan 0.000 0.456 396 K N -0.016 120.421 120.400 0.060 0.000 2.148 396 K HA -0.108 4.212 4.320 0.000 0.000 0.204 396 K C 1.974 178.589 176.600 0.026 0.000 1.050 396 K CA 1.535 57.847 56.287 0.042 0.000 0.942 396 K CB -0.099 32.422 32.500 0.036 0.000 0.724 396 K HN 0.572 nan 8.250 nan 0.000 0.446 397 V N -2.290 117.636 119.914 0.022 0.000 2.591 397 V HA -0.101 4.019 4.120 0.000 0.000 0.249 397 V C 2.003 178.099 176.094 0.004 0.000 1.053 397 V CA 0.947 63.254 62.300 0.011 0.000 1.068 397 V CB -0.512 31.317 31.823 0.011 0.000 0.689 397 V HN -0.073 nan 8.190 nan 0.000 0.462 398 V N 0.854 120.772 119.914 0.007 0.000 2.515 398 V HA -0.231 3.890 4.120 0.000 0.000 0.250 398 V C 2.670 178.753 176.094 -0.019 0.000 1.058 398 V CA 2.493 64.787 62.300 -0.009 0.000 1.064 398 V CB -0.916 30.907 31.823 0.000 0.000 0.675 398 V HN 0.672 nan 8.190 nan 0.000 0.461 399 K N 0.073 120.474 120.400 0.001 0.000 2.097 399 K HA -0.218 4.102 4.320 0.000 0.000 0.206 399 K C 1.770 178.369 176.600 -0.001 0.000 1.049 399 K CA 1.760 58.051 56.287 0.007 0.000 0.933 399 K CB -0.206 32.309 32.500 0.025 0.000 0.717 399 K HN 0.469 nan 8.250 nan 0.000 0.442 400 D N 0.458 120.857 120.400 -0.002 0.000 2.097 400 D HA -0.139 4.501 4.640 0.000 0.000 0.195 400 D C 2.021 178.311 176.300 -0.017 0.000 0.989 400 D CA 1.376 55.374 54.000 -0.003 0.000 0.827 400 D CB -0.099 40.701 40.800 0.000 0.000 0.966 400 D HN 0.089 nan 8.370 nan 0.000 0.456 401 V N 1.230 121.124 119.914 -0.032 0.000 2.358 401 V HA -0.206 3.914 4.120 0.000 0.000 0.246 401 V C 2.569 178.610 176.094 -0.088 0.000 1.047 401 V CA 1.183 63.453 62.300 -0.050 0.000 1.035 401 V CB -0.451 31.341 31.823 -0.053 0.000 0.658 401 V HN 0.160 nan 8.190 nan 0.000 0.452 402 M N -0.470 119.050 119.600 -0.133 0.000 2.213 402 M HA -0.186 4.295 4.480 0.000 0.000 0.263 402 M C 2.131 178.364 176.300 -0.112 0.000 1.062 402 M CA 1.791 56.933 55.300 -0.264 0.000 1.105 402 M CB -0.354 32.031 32.600 -0.359 0.000 1.385 402 M HN 0.422 nan 8.290 nan 0.000 0.417 403 E N -0.202 119.987 120.200 -0.017 0.000 2.140 403 E HA -0.105 4.245 4.350 0.000 0.000 0.191 403 E C 1.271 177.887 176.600 0.027 0.000 0.973 403 E CA 0.743 57.168 56.400 0.042 0.000 0.829 403 E CB 0.190 29.916 29.700 0.043 0.000 0.781 403 E HN 0.445 nan 8.360 nan 0.000 0.466 404 D N -0.440 119.962 120.400 0.004 0.000 2.269 404 D HA 0.033 4.673 4.640 0.000 0.000 0.220 404 D C 1.089 177.388 176.300 -0.002 0.000 0.962 404 D CA 1.199 55.201 54.000 0.003 0.000 0.884 404 D CB 0.053 40.853 40.800 -0.000 0.000 1.023 404 D HN 0.239 nan 8.370 nan 0.000 0.484 405 G N 0.415 109.204 108.800 -0.019 0.000 2.225 405 G HA2 0.056 4.016 3.960 0.000 0.000 0.264 405 G HA3 0.056 4.016 3.960 0.000 0.000 0.264 405 G C 0.048 174.940 174.900 -0.014 0.000 1.060 405 G CA 0.397 45.483 45.100 -0.023 0.000 0.833 405 G HN 0.681 nan 8.290 nan 0.000 0.498 406 A N -1.494 121.318 122.820 -0.013 0.000 2.520 406 A HA 1.042 5.362 4.320 0.000 0.000 0.298 406 A C -0.039 177.541 177.584 -0.007 0.000 1.051 406 A CA 0.059 52.092 52.037 -0.007 0.000 0.690 406 A CB 2.141 21.140 19.000 -0.003 0.000 1.281 406 A HN 1.964 nan 8.150 nan 0.000 0.402 407 V N -0.658 119.254 119.914 -0.004 0.000 3.156 407 V HA 0.952 5.072 4.120 0.000 0.000 0.310 407 V C -0.817 175.280 176.094 0.005 0.000 1.234 407 V CA -0.936 61.363 62.300 -0.001 0.000 1.065 407 V CB 1.627 33.448 31.823 -0.003 0.000 1.088 407 V HN 0.951 nan 8.190 nan 0.000 0.451 408 L N 0.649 121.877 121.223 0.009 0.000 2.469 408 L HA 0.651 4.991 4.340 0.000 0.000 0.256 408 L C -2.723 174.159 176.870 0.020 0.000 1.006 408 L CA -1.809 53.041 54.840 0.016 0.000 0.832 408 L CB 3.373 45.443 42.059 0.017 0.000 1.421 408 L HN 0.545 nan 8.230 nan 0.000 0.410 409 P HA 0.227 nan 4.420 nan 0.000 0.274 409 P C -0.955 176.365 177.300 0.033 0.000 1.237 409 P CA -0.183 62.937 63.100 0.033 0.000 0.793 409 P CB 1.493 33.219 31.700 0.044 0.000 0.977 410 A N 1.235 124.075 122.820 0.033 0.000 3.369 410 A HA 0.642 4.962 4.320 0.000 0.000 0.186 410 A C 1.090 178.690 177.584 0.027 0.000 1.849 410 A CA -0.091 51.963 52.037 0.028 0.000 0.881 410 A CB -1.042 17.977 19.000 0.032 0.000 1.850 410 A HN 0.689 nan 8.150 nan 0.000 0.656 411 G N -1.630 107.182 108.800 0.020 0.000 2.390 411 G HA2 0.200 4.160 3.960 0.000 0.000 0.299 411 G HA3 0.200 4.160 3.960 0.000 0.000 0.299 411 G C 1.562 176.461 174.900 -0.001 0.000 1.002 411 G CA 1.245 46.351 45.100 0.010 0.000 0.979 411 G HN 2.590 nan 8.290 nan 0.000 0.513 412 G N -1.602 107.192 108.800 -0.010 0.000 2.187 412 G HA2 0.006 3.966 3.960 0.000 0.000 0.261 412 G HA3 0.006 3.966 3.960 0.000 0.000 0.261 412 G C 1.565 176.444 174.900 -0.035 0.000 1.000 412 G CA 1.427 46.511 45.100 -0.027 0.000 0.718 412 G HN 2.122 nan 8.290 nan 0.000 0.519 413 A N 0.314 123.135 122.820 0.002 0.000 1.930 413 A HA 0.236 4.556 4.320 0.000 0.000 0.217 413 A C 0.663 178.257 177.584 0.016 0.000 1.175 413 A CA 2.181 54.239 52.037 0.034 0.000 0.627 413 A CB -0.703 18.365 19.000 0.113 0.000 0.815 413 A HN 0.468 nan 8.150 nan 0.000 0.443 414 P HA -0.140 nan 4.420 nan 0.000 0.217 414 P C 1.226 178.514 177.300 -0.020 0.000 1.151 414 P CA 1.317 64.427 63.100 0.017 0.000 0.828 414 P CB -0.034 31.675 31.700 0.015 0.000 0.788 415 E N -0.019 120.154 120.200 -0.044 0.000 2.072 415 E HA -0.105 4.245 4.350 0.000 0.000 0.190 415 E C 2.144 178.683 176.600 -0.101 0.000 0.982 415 E CA 1.037 57.403 56.400 -0.057 0.000 0.803 415 E CB -1.208 28.456 29.700 -0.060 0.000 0.755 415 E HN 0.290 nan 8.360 nan 0.000 0.453 416 I N 1.440 121.900 120.570 -0.183 0.000 2.208 416 I HA -0.268 3.902 4.170 0.000 0.000 0.245 416 I C 2.713 178.605 176.117 -0.374 0.000 1.097 416 I CA 1.668 62.780 61.300 -0.313 0.000 1.363 416 I CB -0.235 37.471 38.000 -0.489 0.000 1.051 416 I HN 0.110 nan 8.210 nan 0.000 0.413 417 E N 1.448 121.432 120.200 -0.360 0.000 2.072 417 E HA -0.179 4.171 4.350 0.000 0.000 0.191 417 E C 2.201 178.802 176.600 0.001 0.000 0.985 417 E CA 1.236 57.608 56.400 -0.047 0.000 0.801 417 E CB -0.216 29.594 29.700 0.184 0.000 0.750 417 E HN 0.395 nan 8.360 nan 0.000 0.452 418 L N -0.139 121.077 121.223 -0.012 0.000 2.046 418 L HA -0.149 4.191 4.340 0.000 0.000 0.208 418 L C 2.437 179.327 176.870 0.033 0.000 1.077 418 L CA 1.047 55.900 54.840 0.021 0.000 0.747 418 L CB -0.563 41.514 42.059 0.031 0.000 0.896 418 L HN 0.278 nan 8.230 nan 0.000 0.432 419 A N 0.667 123.489 122.820 0.003 0.000 1.828 419 A HA -0.227 4.093 4.320 0.000 0.000 0.215 419 A C 2.132 179.734 177.584 0.030 0.000 1.203 419 A CA 1.730 53.778 52.037 0.018 0.000 0.614 419 A CB -0.836 18.151 19.000 -0.022 0.000 0.844 419 A HN 0.310 nan 8.150 nan 0.000 0.445 420 I N -0.956 119.619 120.570 0.008 0.000 2.113 420 I HA -0.349 3.821 4.170 0.000 0.000 0.242 420 I C 2.777 178.927 176.117 0.055 0.000 1.064 420 I CA 2.255 63.576 61.300 0.035 0.000 1.320 420 I CB -0.341 37.691 38.000 0.052 0.000 1.028 420 I HN 0.375 nan 8.210 nan 0.000 0.406 421 R N 1.186 121.720 120.500 0.057 0.000 2.062 421 R HA -0.066 4.274 4.340 0.000 0.000 0.229 421 R C 2.235 178.583 176.300 0.081 0.000 1.128 421 R CA 1.297 57.434 56.100 0.062 0.000 0.960 421 R CB -0.450 29.878 30.300 0.047 0.000 0.855 421 R HN 0.260 nan 8.270 nan 0.000 0.432 422 L N 0.705 121.978 121.223 0.083 0.000 2.127 422 L HA -0.213 4.127 4.340 0.000 0.000 0.211 422 L C 2.201 179.166 176.870 0.159 0.000 1.089 422 L CA 1.635 56.550 54.840 0.125 0.000 0.757 422 L CB -0.541 41.592 42.059 0.124 0.000 0.899 422 L HN 0.439 nan 8.230 nan 0.000 0.434 423 D N -0.198 120.269 120.400 0.111 0.000 2.117 423 D HA -0.202 4.438 4.640 0.000 0.000 0.197 423 D C 1.884 178.233 176.300 0.081 0.000 0.987 423 D CA 1.105 55.158 54.000 0.089 0.000 0.829 423 D CB 0.273 41.112 40.800 0.065 0.000 0.961 423 D HN 0.243 nan 8.370 nan 0.000 0.460 424 E N 0.100 120.354 120.200 0.091 0.000 2.058 424 E HA -0.199 4.151 4.350 0.000 0.000 0.194 424 E C 1.979 178.644 176.600 0.108 0.000 0.997 424 E CA 0.565 57.014 56.400 0.083 0.000 0.801 424 E CB -1.048 28.702 29.700 0.083 0.000 0.746 424 E HN 0.480 nan 8.360 nan 0.000 0.450 425 Y N 1.505 121.808 120.300 0.004 0.000 2.151 425 Y HA -0.273 4.277 4.550 0.000 0.000 0.284 425 Y C 2.208 178.106 175.900 -0.003 0.000 1.166 425 Y CA 1.389 59.486 58.100 -0.005 0.000 1.163 425 Y CB -0.766 37.683 38.460 -0.018 0.000 0.974 425 Y HN 0.020 nan 8.280 nan 0.000 0.511 426 A N 0.883 123.663 122.820 -0.067 0.000 1.859 426 A HA -0.263 4.057 4.320 0.000 0.000 0.217 426 A C 2.299 179.803 177.584 -0.132 0.000 1.198 426 A CA 2.371 54.330 52.037 -0.130 0.000 0.629 426 A CB -0.641 18.350 19.000 -0.015 0.000 0.830 426 A HN 0.379 nan 8.150 nan 0.000 0.446 427 K N 0.392 120.756 120.400 -0.060 0.000 2.015 427 K HA -0.265 4.055 4.320 0.000 0.000 0.216 427 K C 2.142 178.698 176.600 -0.073 0.000 1.052 427 K CA 2.159 58.419 56.287 -0.046 0.000 0.937 427 K CB -1.142 31.351 32.500 -0.011 0.000 0.719 427 K HN 0.912 nan 8.250 nan 0.000 0.446 428 Q N 0.626 120.379 119.800 -0.079 0.000 2.170 428 Q HA -0.077 4.263 4.340 0.000 0.000 0.203 428 Q C 2.068 177.980 176.000 -0.146 0.000 0.976 428 Q CA 1.426 57.181 55.803 -0.081 0.000 0.858 428 Q CB -0.504 28.218 28.738 -0.027 0.000 0.907 428 Q HN 0.033 nan 8.270 nan 0.000 0.433 429 V N 0.925 120.673 119.914 -0.277 0.000 2.255 429 V HA -0.005 4.115 4.120 0.000 0.000 0.243 429 V C 1.361 177.362 176.094 -0.156 0.000 1.038 429 V CA 1.493 63.622 62.300 -0.284 0.000 1.008 429 V CB -1.330 30.221 31.823 -0.453 0.000 0.645 429 V HN 0.721 nan 8.190 nan 0.000 0.449 430 G N -1.026 107.694 108.800 -0.134 0.000 2.888 430 G HA2 0.338 4.298 3.960 0.000 0.000 0.441 430 G HA3 0.338 4.298 3.960 0.000 0.000 0.441 430 G C 0.436 175.298 174.900 -0.064 0.000 1.461 430 G CA -0.326 44.726 45.100 -0.079 0.000 0.897 430 G HN 1.814 nan 8.290 nan 0.000 0.547 431 G N -0.549 108.226 108.800 -0.042 0.000 2.508 431 G HA2 0.032 3.992 3.960 0.000 0.000 0.220 431 G HA3 0.032 3.992 3.960 0.000 0.000 0.220 431 G C 0.884 175.769 174.900 -0.025 0.000 1.287 431 G CA 0.779 45.860 45.100 -0.032 0.000 0.916 431 G HN 1.337 nan 8.290 nan 0.000 0.574 432 K N 0.435 120.824 120.400 -0.020 0.000 2.116 432 K HA 0.023 4.343 4.320 0.000 0.000 0.203 432 K C 2.406 178.999 176.600 -0.012 0.000 1.052 432 K CA 1.758 58.038 56.287 -0.012 0.000 0.952 432 K CB -0.287 32.209 32.500 -0.008 0.000 0.729 432 K HN 0.507 nan 8.250 nan 0.000 0.446 433 E N 1.364 121.551 120.200 -0.021 0.000 2.114 433 E HA -0.194 4.156 4.350 0.000 0.000 0.199 433 E C 1.908 178.499 176.600 -0.016 0.000 1.008 433 E CA 1.645 58.033 56.400 -0.019 0.000 0.810 433 E CB -0.439 29.236 29.700 -0.042 0.000 0.739 433 E HN 0.332 nan 8.360 nan 0.000 0.456 434 A N 0.156 122.952 122.820 -0.039 0.000 1.986 434 A HA -0.193 4.128 4.320 0.000 0.000 0.220 434 A C 1.968 179.559 177.584 0.010 0.000 1.171 434 A CA 1.308 53.322 52.037 -0.039 0.000 0.640 434 A CB -0.472 18.498 19.000 -0.051 0.000 0.811 434 A HN 0.172 nan 8.150 nan 0.000 0.451 435 L N -0.740 120.493 121.223 0.018 0.000 2.093 435 L HA -0.038 4.302 4.340 0.000 0.000 0.208 435 L C 2.935 179.853 176.870 0.081 0.000 1.085 435 L CA 1.769 56.632 54.840 0.038 0.000 0.755 435 L CB -1.069 41.002 42.059 0.021 0.000 0.904 435 L HN 0.380 nan 8.230 nan 0.000 0.435 436 A N -0.441 122.429 122.820 0.084 0.000 1.873 436 A HA -0.121 4.199 4.320 0.000 0.000 0.215 436 A C 2.320 180.105 177.584 0.335 0.000 1.186 436 A CA 1.430 53.567 52.037 0.167 0.000 0.616 436 A CB -0.619 18.427 19.000 0.076 0.000 0.823 436 A HN 0.324 nan 8.150 nan 0.000 0.442 437 I N -0.424 120.262 120.570 0.195 0.000 2.142 437 I HA -0.283 3.887 4.170 0.000 0.000 0.240 437 I C 2.518 178.751 176.117 0.193 0.000 1.078 437 I CA 1.801 63.197 61.300 0.161 0.000 1.343 437 I CB -0.597 37.428 38.000 0.042 0.000 1.046 437 I HN 0.417 nan 8.210 nan 0.000 0.405 438 E N 0.791 121.072 120.200 0.135 0.000 2.097 438 E HA -0.251 4.099 4.350 0.000 0.000 0.196 438 E C 1.882 178.571 176.600 0.148 0.000 1.000 438 E CA 1.602 58.073 56.400 0.118 0.000 0.804 438 E CB -0.154 29.591 29.700 0.075 0.000 0.740 438 E HN 0.432 nan 8.360 nan 0.000 0.454 439 N N -0.063 118.751 118.700 0.190 0.000 2.188 439 N HA -0.118 4.622 4.740 0.000 0.000 0.184 439 N C 1.403 177.041 175.510 0.213 0.000 1.018 439 N CA 0.649 53.817 53.050 0.196 0.000 0.858 439 N CB -0.245 38.378 38.487 0.226 0.000 0.989 439 N HN 0.117 nan 8.380 nan 0.000 0.426 440 F N 1.256 121.268 119.950 0.104 0.000 2.095 440 F HA -0.170 4.357 4.527 0.000 0.000 0.298 440 F C 2.122 177.874 175.800 -0.081 0.000 1.104 440 F CA 1.442 59.363 58.000 -0.131 0.000 1.232 440 F CB -0.242 38.629 39.000 -0.215 0.000 0.987 440 F HN 0.050 nan 8.300 nan 0.000 0.475 441 A N -0.380 122.624 122.820 0.306 0.000 1.902 441 A HA -0.269 4.051 4.320 0.000 0.000 0.217 441 A C 1.836 179.454 177.584 0.056 0.000 1.181 441 A CA 2.137 54.285 52.037 0.185 0.000 0.623 441 A CB -1.246 17.850 19.000 0.160 0.000 0.818 441 A HN 0.538 nan 8.150 nan 0.000 0.443 442 D N -0.728 119.702 120.400 0.049 0.000 2.178 442 D HA 0.057 4.697 4.640 0.000 0.000 0.202 442 D C 1.991 178.272 176.300 -0.031 0.000 0.974 442 D CA 1.165 55.172 54.000 0.012 0.000 0.841 442 D CB -0.114 40.703 40.800 0.028 0.000 0.953 442 D HN 0.360 nan 8.370 nan 0.000 0.478 443 A N 0.219 123.000 122.820 -0.067 0.000 1.902 443 A HA -0.108 4.212 4.320 0.000 0.000 0.217 443 A C 2.212 179.702 177.584 -0.157 0.000 1.181 443 A CA 0.872 52.832 52.037 -0.129 0.000 0.623 443 A CB -0.879 17.988 19.000 -0.222 0.000 0.818 443 A HN 0.361 nan 8.150 nan 0.000 0.443 444 L N -0.549 120.567 121.223 -0.179 0.000 2.351 444 L HA -0.207 4.133 4.340 0.000 0.000 0.220 444 L C 1.972 178.784 176.870 -0.097 0.000 1.127 444 L CA 1.322 56.073 54.840 -0.149 0.000 0.786 444 L CB -0.441 41.555 42.059 -0.106 0.000 0.914 444 L HN 0.406 nan 8.230 nan 0.000 0.443 445 K N 0.177 120.531 120.400 -0.077 0.000 2.555 445 K HA -0.065 4.255 4.320 0.000 0.000 0.193 445 K C 1.662 178.226 176.600 -0.061 0.000 1.032 445 K CA 0.644 56.893 56.287 -0.063 0.000 1.004 445 K CB -0.100 32.371 32.500 -0.048 0.000 0.804 445 K HN 0.324 nan 8.250 nan 0.000 0.496 446 I N -0.062 120.467 120.570 -0.068 0.000 2.756 446 I HA -0.203 3.967 4.170 0.000 0.000 0.262 446 I C 1.719 177.802 176.117 -0.057 0.000 1.225 446 I CA 0.966 62.229 61.300 -0.060 0.000 1.472 446 I CB -0.530 37.431 38.000 -0.065 0.000 1.094 446 I HN 0.003 nan 8.210 nan 0.000 0.454 447 I N 1.416 121.950 120.570 -0.061 0.000 2.133 447 I HA -0.076 4.094 4.170 0.000 0.000 0.238 447 I C 0.188 176.276 176.117 -0.049 0.000 1.074 447 I CA 1.467 62.735 61.300 -0.054 0.000 1.342 447 I CB -2.731 35.236 38.000 -0.054 0.000 1.053 447 I HN 0.169 nan 8.210 nan 0.000 0.404 448 P HA -0.156 nan 4.420 nan 0.000 0.215 448 P C 1.832 179.107 177.300 -0.042 0.000 1.157 448 P CA 1.485 64.558 63.100 -0.044 0.000 0.868 448 P CB -0.051 31.620 31.700 -0.048 0.000 0.788 449 K N -0.407 119.968 120.400 -0.043 0.000 1.988 449 K HA -0.179 4.141 4.320 0.000 0.000 0.221 449 K C 1.995 178.571 176.600 -0.040 0.000 1.053 449 K CA 2.760 59.024 56.287 -0.039 0.000 0.959 449 K CB -1.123 31.354 32.500 -0.039 0.000 0.728 449 K HN 0.244 nan 8.250 nan 0.000 0.447 450 T N -0.620 113.908 114.554 -0.043 0.000 3.113 450 T HA -0.010 4.340 4.350 0.000 0.000 0.263 450 T C 1.988 176.659 174.700 -0.049 0.000 1.143 450 T CA 0.504 62.577 62.100 -0.044 0.000 1.090 450 T CB -0.049 68.793 68.868 -0.043 0.000 0.922 450 T HN 0.121 nan 8.240 nan 0.000 0.521 451 L N 0.306 121.498 121.223 -0.051 0.000 2.102 451 L HA 0.224 4.564 4.340 0.000 0.000 0.202 451 L C 3.224 180.054 176.870 -0.068 0.000 1.076 451 L CA 1.035 55.838 54.840 -0.061 0.000 0.761 451 L CB -0.641 41.384 42.059 -0.057 0.000 0.921 451 L HN 0.357 nan 8.230 nan 0.000 0.444 452 A N -0.352 122.435 122.820 -0.055 0.000 1.933 452 A HA -0.263 4.057 4.320 0.000 0.000 0.218 452 A C 2.176 179.730 177.584 -0.051 0.000 1.175 452 A CA 1.861 53.866 52.037 -0.052 0.000 0.628 452 A CB -0.494 18.483 19.000 -0.038 0.000 0.814 452 A HN 0.462 nan 8.150 nan 0.000 0.444 453 E N 0.030 120.203 120.200 -0.046 0.000 2.031 453 E HA -0.215 4.135 4.350 0.000 0.000 0.193 453 E C 1.696 178.268 176.600 -0.046 0.000 0.994 453 E CA 1.352 57.728 56.400 -0.041 0.000 0.800 453 E CB -0.157 29.520 29.700 -0.037 0.000 0.752 453 E HN 0.591 nan 8.360 nan 0.000 0.447 454 N N 0.216 118.884 118.700 -0.053 0.000 2.289 454 N HA -0.141 4.599 4.740 0.000 0.000 0.184 454 N C 1.563 177.032 175.510 -0.068 0.000 1.016 454 N CA 1.079 54.096 53.050 -0.057 0.000 0.872 454 N CB -0.172 38.279 38.487 -0.061 0.000 0.973 454 N HN 0.204 nan 8.380 nan 0.000 0.433 455 A N 0.157 122.927 122.820 -0.082 0.000 2.014 455 A HA 0.231 4.551 4.320 0.000 0.000 0.218 455 A C 1.653 179.196 177.584 -0.068 0.000 1.163 455 A CA 1.523 53.500 52.037 -0.099 0.000 0.652 455 A CB -0.332 18.597 19.000 -0.118 0.000 0.808 455 A HN 0.362 nan 8.150 nan 0.000 0.449 456 G N -1.956 106.813 108.800 -0.052 0.000 2.148 456 G HA2 -0.155 3.805 3.960 0.000 0.000 0.203 456 G HA3 -0.155 3.805 3.960 0.000 0.000 0.203 456 G C 0.085 174.966 174.900 -0.031 0.000 0.993 456 G CA 0.105 45.183 45.100 -0.037 0.000 0.661 456 G HN 0.453 nan 8.290 nan 0.000 0.518 457 L N 0.249 121.451 121.223 -0.035 0.000 2.454 457 L HA 0.533 4.873 4.340 0.000 0.000 0.256 457 L C 0.618 177.474 176.870 -0.023 0.000 1.136 457 L CA -0.822 54.002 54.840 -0.027 0.000 0.804 457 L CB 0.400 42.442 42.059 -0.029 0.000 1.181 457 L HN 0.094 nan 8.230 nan 0.000 0.469 458 D N 0.360 120.749 120.400 -0.017 0.000 2.416 458 D HA 0.030 4.670 4.640 0.000 0.000 0.240 458 D C 0.961 177.251 176.300 -0.016 0.000 1.250 458 D CA -0.068 53.923 54.000 -0.015 0.000 0.967 458 D CB 0.732 41.526 40.800 -0.010 0.000 1.059 458 D HN 0.509 nan 8.370 nan 0.000 0.512 459 T N 2.482 117.024 114.554 -0.019 0.000 2.493 459 T HA -0.245 4.105 4.350 0.000 0.000 0.256 459 T C 2.055 176.745 174.700 -0.016 0.000 1.195 459 T CA 2.115 64.203 62.100 -0.020 0.000 1.183 459 T CB -0.472 68.383 68.868 -0.022 0.000 0.863 459 T HN 0.344 nan 8.240 nan 0.000 0.418 460 V N 1.517 121.422 119.914 -0.014 0.000 2.226 460 V HA -0.322 3.798 4.120 0.000 0.000 0.254 460 V C 2.495 178.584 176.094 -0.008 0.000 1.065 460 V CA 2.602 64.896 62.300 -0.011 0.000 1.039 460 V CB -0.801 31.017 31.823 -0.009 0.000 0.653 460 V HN 0.598 nan 8.190 nan 0.000 0.450 461 E N -0.610 119.586 120.200 -0.007 0.000 2.031 461 E HA -0.305 4.045 4.350 0.000 0.000 0.193 461 E C 2.177 178.775 176.600 -0.004 0.000 0.994 461 E CA 1.927 58.325 56.400 -0.004 0.000 0.800 461 E CB -0.205 29.492 29.700 -0.004 0.000 0.752 461 E HN 0.489 nan 8.360 nan 0.000 0.447 462 M N 0.579 120.175 119.600 -0.006 0.000 2.149 462 M HA -0.152 4.329 4.480 0.000 0.000 0.261 462 M C 1.969 178.266 176.300 -0.006 0.000 1.064 462 M CA 1.169 56.465 55.300 -0.006 0.000 1.102 462 M CB -0.204 32.389 32.600 -0.012 0.000 1.369 462 M HN 0.279 nan 8.290 nan 0.000 0.408 463 L N -0.731 120.486 121.223 -0.010 0.000 2.395 463 L HA 0.021 4.361 4.340 0.000 0.000 0.218 463 L C 1.787 178.654 176.870 -0.006 0.000 1.130 463 L CA 0.958 55.791 54.840 -0.012 0.000 0.826 463 L CB -0.347 41.701 42.059 -0.018 0.000 0.941 463 L HN 0.204 nan 8.230 nan 0.000 0.451 464 V N -1.026 118.887 119.914 -0.002 0.000 2.407 464 V HA -0.178 3.942 4.120 0.000 0.000 0.245 464 V C 2.405 178.505 176.094 0.010 0.000 1.041 464 V CA 1.401 63.703 62.300 0.004 0.000 1.040 464 V CB -0.539 31.287 31.823 0.004 0.000 0.671 464 V HN 0.377 nan 8.190 nan 0.000 0.455 465 K N 0.384 120.790 120.400 0.010 0.000 2.002 465 K HA -0.136 4.184 4.320 0.000 0.000 0.209 465 K C 2.076 178.692 176.600 0.027 0.000 1.048 465 K CA 1.695 57.992 56.287 0.016 0.000 0.930 465 K CB -0.515 31.993 32.500 0.013 0.000 0.714 465 K HN 0.359 nan 8.250 nan 0.000 0.438 466 V N 1.893 121.821 119.914 0.023 0.000 2.392 466 V HA -0.229 3.892 4.120 0.000 0.000 0.249 466 V C 2.122 178.249 176.094 0.054 0.000 1.059 466 V CA 1.639 63.961 62.300 0.036 0.000 1.051 466 V CB -0.638 31.194 31.823 0.015 0.000 0.658 466 V HN 0.292 nan 8.190 nan 0.000 0.455 467 I N 0.072 120.659 120.570 0.029 0.000 2.928 467 I HA -0.127 4.043 4.170 0.000 0.000 0.266 467 I C 2.559 178.718 176.117 0.070 0.000 1.234 467 I CA 1.228 62.548 61.300 0.033 0.000 1.483 467 I CB -0.303 37.700 38.000 0.005 0.000 1.097 467 I HN 0.349 nan 8.210 nan 0.000 0.455 468 S N 0.903 116.636 115.700 0.056 0.000 2.317 468 S HA -0.137 4.333 4.470 0.000 0.000 0.212 468 S C 1.982 176.618 174.600 0.060 0.000 1.030 468 S CA 0.960 59.190 58.200 0.049 0.000 0.970 468 S CB -0.103 63.116 63.200 0.032 0.000 0.928 468 S HN 0.291 nan 8.310 nan 0.000 0.451 469 E N 0.708 120.942 120.200 0.058 0.000 2.068 469 E HA -0.281 4.069 4.350 0.000 0.000 0.207 469 E C 1.923 178.556 176.600 0.054 0.000 1.032 469 E CA 2.084 58.513 56.400 0.048 0.000 0.839 469 E CB -1.103 28.628 29.700 0.050 0.000 0.758 469 E HN 0.805 nan 8.360 nan 0.000 0.457 470 H N 0.848 119.922 119.070 0.006 0.000 2.390 470 H HA -0.077 4.479 4.556 0.000 0.000 0.298 470 H C 1.998 177.331 175.328 0.007 0.000 1.106 470 H CA 2.133 58.185 56.048 0.007 0.000 1.297 470 H CB 0.151 29.917 29.762 0.007 0.000 1.375 470 H HN 0.022 nan 8.280 nan 0.000 0.509 471 K N -0.509 119.968 120.400 0.128 0.000 2.211 471 K HA -0.081 4.239 4.320 0.000 0.000 0.203 471 K C 1.399 178.007 176.600 0.013 0.000 1.050 471 K CA 1.096 57.429 56.287 0.076 0.000 0.945 471 K CB 0.212 32.756 32.500 0.073 0.000 0.732 471 K HN 0.418 nan 8.250 nan 0.000 0.451 472 N N 0.444 119.144 118.700 -0.000 0.000 2.400 472 N HA 0.006 4.746 4.740 0.000 0.000 0.228 472 N C 1.464 176.948 175.510 -0.044 0.000 1.023 472 N CA 0.503 53.544 53.050 -0.014 0.000 1.150 472 N CB -0.514 37.971 38.487 -0.003 0.000 1.452 472 N HN -0.025 nan 8.380 nan 0.000 0.605 473 R N 1.077 121.551 120.500 -0.043 0.000 2.244 473 R HA -0.057 4.283 4.340 0.000 0.000 0.252 473 R C 0.925 177.163 176.300 -0.102 0.000 1.177 473 R CA 1.032 57.097 56.100 -0.057 0.000 1.004 473 R CB -0.514 29.762 30.300 -0.040 0.000 0.873 473 R HN 0.509 nan 8.270 nan 0.000 0.469 474 G N -0.469 108.223 108.800 -0.180 0.000 2.541 474 G HA2 -0.176 3.785 3.960 0.000 0.000 0.686 474 G HA3 -0.176 3.785 3.960 0.000 0.000 0.686 474 G C 0.071 174.687 174.900 -0.472 0.000 1.286 474 G CA -0.334 44.616 45.100 -0.251 0.000 0.894 474 G HN 0.140 nan 8.290 nan 0.000 0.575 475 L N 0.466 121.462 121.223 -0.377 0.000 2.468 475 L HA 0.116 4.456 4.340 0.000 0.000 0.225 475 L C 2.236 179.052 176.870 -0.089 0.000 1.139 475 L CA 3.496 58.173 54.840 -0.271 0.000 0.792 475 L CB -0.463 41.565 42.059 -0.052 0.000 0.916 475 L HN 1.428 nan 8.230 nan 0.000 0.446 476 G N -0.732 108.006 108.800 -0.103 0.000 3.042 476 G HA2 0.176 4.136 3.960 0.000 0.000 0.212 476 G HA3 0.176 4.136 3.960 0.000 0.000 0.212 476 G C 0.595 175.515 174.900 0.033 0.000 1.166 476 G CA -0.325 44.771 45.100 -0.007 0.000 0.767 476 G HN 0.254 nan 8.290 nan 0.000 0.546 477 I N 1.951 122.543 120.570 0.038 0.000 2.352 477 I HA 0.491 4.661 4.170 0.000 0.000 0.290 477 I C 0.773 177.021 176.117 0.218 0.000 1.036 477 I CA -0.323 61.048 61.300 0.118 0.000 1.336 477 I CB 0.412 38.466 38.000 0.089 0.000 1.407 477 I HN 0.029 nan 8.210 nan 0.000 0.497 478 G N 6.358 115.225 108.800 0.112 0.000 2.788 478 G HA2 0.705 4.665 3.960 0.000 0.000 0.293 478 G HA3 0.705 4.665 3.960 0.000 0.000 0.293 478 G C -0.952 173.975 174.900 0.046 0.000 1.392 478 G CA -0.726 44.419 45.100 0.074 0.000 0.810 478 G HN 0.383 nan 8.290 nan 0.000 0.508 479 I N 0.512 121.096 120.570 0.023 0.000 2.440 479 I HA 0.274 4.444 4.170 0.000 0.000 0.294 479 I C -0.790 175.336 176.117 0.015 0.000 0.995 479 I CA -0.387 60.919 61.300 0.011 0.000 1.306 479 I CB 1.780 39.774 38.000 -0.010 0.000 1.407 479 I HN 0.291 nan 8.210 nan 0.000 0.501 480 D N 5.083 125.496 120.400 0.022 0.000 2.464 480 D HA 0.146 4.787 4.640 0.000 0.000 0.243 480 D C 0.873 177.176 176.300 0.004 0.000 1.104 480 D CA -0.597 53.432 54.000 0.048 0.000 0.883 480 D CB 1.455 42.309 40.800 0.089 0.000 1.050 480 D HN 0.361 nan 8.370 nan 0.000 0.524 481 V N 1.802 121.656 119.914 -0.101 0.000 2.764 481 V HA -0.184 3.936 4.120 0.000 0.000 0.261 481 V C 1.317 177.238 176.094 -0.289 0.000 1.108 481 V CA 1.321 63.479 62.300 -0.237 0.000 1.129 481 V CB -1.154 30.435 31.823 -0.391 0.000 0.701 481 V HN 0.328 nan 8.190 nan 0.000 0.495 482 F N 0.138 120.086 119.950 -0.003 0.000 2.530 482 F HA 0.313 4.840 4.527 0.000 0.000 0.292 482 F C 2.336 178.134 175.800 -0.003 0.000 1.109 482 F CA 1.079 59.077 58.000 -0.004 0.000 1.450 482 F CB -0.108 38.890 39.000 -0.004 0.000 1.114 482 F HN 0.194 nan 8.300 nan 0.000 0.560 483 E N -0.215 120.082 120.200 0.160 0.000 2.276 483 E HA 0.174 4.524 4.350 0.000 0.000 0.193 483 E C 1.738 178.367 176.600 0.049 0.000 0.983 483 E CA 0.800 57.256 56.400 0.093 0.000 0.861 483 E CB -0.092 29.654 29.700 0.076 0.000 0.817 483 E HN 0.217 nan 8.360 nan 0.000 0.485 484 G N 1.111 109.926 108.800 0.026 0.000 2.176 484 G HA2 -0.337 3.623 3.960 0.000 0.000 0.252 484 G HA3 -0.337 3.623 3.960 0.000 0.000 0.252 484 G C -0.038 174.866 174.900 0.007 0.000 1.024 484 G CA 0.997 46.099 45.100 0.004 0.000 0.755 484 G HN 0.414 nan 8.290 nan 0.000 0.507 485 K N -2.553 117.855 120.400 0.014 0.000 2.672 485 K HA 0.653 4.973 4.320 0.000 0.000 0.295 485 K C -3.476 173.136 176.600 0.020 0.000 1.042 485 K CA -2.016 54.279 56.287 0.014 0.000 0.869 485 K CB 0.726 33.237 32.500 0.017 0.000 1.541 485 K HN -0.049 nan 8.250 nan 0.000 0.396 486 P HA 0.317 nan 4.420 nan 0.000 0.272 486 P C -1.278 176.041 177.300 0.033 0.000 1.240 486 P CA -0.258 62.860 63.100 0.031 0.000 0.791 486 P CB 0.906 32.626 31.700 0.034 0.000 0.978 487 A N 0.268 123.111 122.820 0.038 0.000 2.601 487 A HA 0.367 4.687 4.320 0.000 0.000 0.291 487 A C -1.496 176.108 177.584 0.034 0.000 1.075 487 A CA -0.510 51.548 52.037 0.034 0.000 0.671 487 A CB 0.860 19.884 19.000 0.039 0.000 1.277 487 A HN 0.489 nan 8.150 nan 0.000 0.417 488 D N 2.380 122.794 120.400 0.023 0.000 2.365 488 D HA 0.210 4.850 4.640 0.000 0.000 0.237 488 D C 0.878 177.191 176.300 0.023 0.000 1.190 488 D CA -0.449 53.561 54.000 0.017 0.000 0.867 488 D CB 0.545 41.348 40.800 0.004 0.000 1.050 488 D HN 0.399 nan 8.370 nan 0.000 0.491 489 M N 3.323 122.942 119.600 0.032 0.000 2.267 489 M HA -0.167 4.313 4.480 0.000 0.000 0.263 489 M C 1.581 177.896 176.300 0.024 0.000 1.063 489 M CA 0.708 56.029 55.300 0.034 0.000 1.090 489 M CB -0.468 32.157 32.600 0.042 0.000 1.392 489 M HN 0.430 nan 8.290 nan 0.000 0.422 490 L N 0.398 121.631 121.223 0.017 0.000 2.005 490 L HA -0.133 4.207 4.340 0.000 0.000 0.207 490 L C 2.247 179.121 176.870 0.007 0.000 1.072 490 L CA 1.781 56.626 54.840 0.010 0.000 0.744 490 L CB -1.222 40.839 42.059 0.004 0.000 0.895 490 L HN 0.337 nan 8.230 nan 0.000 0.433 491 E N -0.698 119.505 120.200 0.006 0.000 2.267 491 E HA -0.191 4.159 4.350 0.000 0.000 0.197 491 E C 1.679 178.282 176.600 0.005 0.000 0.998 491 E CA 0.586 56.988 56.400 0.003 0.000 0.830 491 E CB 0.031 29.732 29.700 0.003 0.000 0.751 491 E HN 0.282 nan 8.360 nan 0.000 0.491 492 K N -0.734 119.672 120.400 0.011 0.000 2.361 492 K HA 0.060 4.380 4.320 0.000 0.000 0.196 492 K C 1.385 177.990 176.600 0.008 0.000 1.039 492 K CA 0.796 57.090 56.287 0.012 0.000 1.001 492 K CB 0.669 33.185 32.500 0.026 0.000 0.795 492 K HN 0.269 nan 8.250 nan 0.000 0.495 493 G N 1.957 110.762 108.800 0.009 0.000 2.184 493 G HA2 -0.259 3.701 3.960 0.000 0.000 0.264 493 G HA3 -0.259 3.701 3.960 0.000 0.000 0.264 493 G C 0.215 175.123 174.900 0.013 0.000 0.975 493 G CA 0.160 45.264 45.100 0.006 0.000 0.642 493 G HN 0.314 nan 8.290 nan 0.000 0.536 494 I N 2.110 122.694 120.570 0.023 0.000 2.311 494 I HA 0.457 4.627 4.170 0.000 0.000 0.297 494 I C 0.960 177.095 176.117 0.031 0.000 1.131 494 I CA -0.274 61.047 61.300 0.035 0.000 1.289 494 I CB -0.240 37.793 38.000 0.056 0.000 1.446 494 I HN 0.357 nan 8.210 nan 0.000 0.524 495 I N 3.224 123.808 120.570 0.024 0.000 3.264 495 I HA 0.753 4.923 4.170 0.000 0.000 0.315 495 I C -0.877 175.250 176.117 0.017 0.000 1.154 495 I CA -0.803 60.508 61.300 0.019 0.000 0.962 495 I CB 2.428 40.436 38.000 0.013 0.000 1.265 495 I HN 0.459 nan 8.210 nan 0.000 0.463 496 E N 1.013 121.221 120.200 0.013 0.000 2.408 496 E HA 0.591 4.941 4.350 0.000 0.000 0.275 496 E C -3.088 173.515 176.600 0.006 0.000 0.935 496 E CA -2.293 54.113 56.400 0.010 0.000 0.775 496 E CB 1.889 31.596 29.700 0.011 0.000 1.277 496 E HN 0.266 nan 8.360 nan 0.000 0.455 497 P HA -0.080 nan 4.420 nan 0.000 0.266 497 P C 0.713 178.015 177.300 0.003 0.000 1.195 497 P CA -0.340 62.761 63.100 0.001 0.000 0.768 497 P CB 0.500 32.200 31.700 0.001 0.000 0.838 498 L N 3.844 125.068 121.223 0.002 0.000 2.362 498 L HA -0.083 4.258 4.340 0.000 0.000 0.219 498 L C 1.856 178.729 176.870 0.004 0.000 1.134 498 L CA 1.777 56.619 54.840 0.003 0.000 0.807 498 L CB -0.730 41.330 42.059 0.002 0.000 0.927 498 L HN 0.416 nan 8.230 nan 0.000 0.447 499 R N -0.717 119.785 120.500 0.003 0.000 2.073 499 R HA -0.090 4.250 4.340 0.000 0.000 0.229 499 R C 2.236 178.539 176.300 0.005 0.000 1.120 499 R CA 1.407 57.509 56.100 0.005 0.000 0.967 499 R CB -0.080 30.223 30.300 0.005 0.000 0.862 499 R HN 0.277 nan 8.270 nan 0.000 0.436 500 V N 1.930 121.846 119.914 0.004 0.000 2.278 500 V HA -0.320 3.801 4.120 0.000 0.000 0.251 500 V C 2.359 178.454 176.094 0.001 0.000 1.062 500 V CA 1.882 64.183 62.300 0.003 0.000 1.038 500 V CB -0.384 31.440 31.823 0.002 0.000 0.646 500 V HN 0.317 nan 8.190 nan 0.000 0.447 501 K N -0.125 120.276 120.400 0.002 0.000 2.062 501 K HA -0.078 4.242 4.320 0.000 0.000 0.205 501 K C 2.164 178.767 176.600 0.006 0.000 1.051 501 K CA 1.080 57.369 56.287 0.002 0.000 0.941 501 K CB -0.314 32.188 32.500 0.004 0.000 0.719 501 K HN 0.433 nan 8.250 nan 0.000 0.440 502 K N 0.722 121.126 120.400 0.007 0.000 2.147 502 K HA -0.187 4.133 4.320 0.000 0.000 0.205 502 K C 2.177 178.784 176.600 0.012 0.000 1.049 502 K CA 1.194 57.487 56.287 0.010 0.000 0.936 502 K CB 0.054 32.558 32.500 0.007 0.000 0.722 502 K HN -0.017 nan 8.250 nan 0.000 0.446 503 Q N 0.491 120.296 119.800 0.009 0.000 2.187 503 Q HA 0.033 4.373 4.340 0.000 0.000 0.199 503 Q C 1.704 177.708 176.000 0.007 0.000 0.957 503 Q CA 1.328 57.136 55.803 0.009 0.000 0.857 503 Q CB -0.037 28.705 28.738 0.007 0.000 0.929 503 Q HN 0.267 nan 8.270 nan 0.000 0.453 504 A N 0.667 123.487 122.820 0.001 0.000 1.858 504 A HA -0.147 4.173 4.320 0.000 0.000 0.216 504 A C 1.881 179.462 177.584 -0.006 0.000 1.190 504 A CA 1.532 53.564 52.037 -0.009 0.000 0.617 504 A CB -0.748 18.241 19.000 -0.018 0.000 0.827 504 A HN 0.420 nan 8.150 nan 0.000 0.443 505 I N 0.000 120.576 120.570 0.010 0.000 2.208 505 I HA -0.249 3.921 4.170 0.000 0.000 0.245 505 I C 2.315 178.467 176.117 0.058 0.000 1.097 505 I CA 1.791 63.116 61.300 0.043 0.000 1.363 505 I CB -1.331 36.719 38.000 0.083 0.000 1.051 505 I HN 0.371 nan 8.210 nan 0.000 0.413 506 K N 0.561 120.985 120.400 0.041 0.000 1.978 506 K HA -0.150 4.170 4.320 0.000 0.000 0.214 506 K C 2.373 178.994 176.600 0.036 0.000 1.049 506 K CA 2.043 58.354 56.287 0.040 0.000 0.939 506 K CB -0.142 32.374 32.500 0.026 0.000 0.721 506 K HN 0.143 nan 8.250 nan 0.000 0.441 507 S N 0.595 116.307 115.700 0.021 0.000 2.359 507 S HA -0.254 4.216 4.470 0.000 0.000 0.222 507 S C 2.079 176.687 174.600 0.013 0.000 1.038 507 S CA 1.578 59.787 58.200 0.015 0.000 1.051 507 S CB -0.491 62.712 63.200 0.005 0.000 0.944 507 S HN 0.498 nan 8.310 nan 0.000 0.433 508 A N 1.722 124.539 122.820 -0.005 0.000 1.865 508 A HA -0.156 4.164 4.320 0.000 0.000 0.217 508 A C 2.424 180.004 177.584 -0.007 0.000 1.191 508 A CA 2.461 54.482 52.037 -0.028 0.000 0.623 508 A CB -1.245 17.706 19.000 -0.082 0.000 0.826 508 A HN 0.668 nan 8.150 nan 0.000 0.444 509 S N -0.276 115.441 115.700 0.028 0.000 2.399 509 S HA -0.190 4.281 4.470 0.000 0.000 0.231 509 S C 1.678 176.353 174.600 0.124 0.000 1.022 509 S CA 1.403 59.672 58.200 0.114 0.000 0.983 509 S CB -0.480 62.872 63.200 0.254 0.000 0.803 509 S HN 0.604 nan 8.310 nan 0.000 0.480 510 E N 1.977 122.228 120.200 0.085 0.000 2.031 510 E HA -0.074 4.276 4.350 0.000 0.000 0.193 510 E C 2.570 179.214 176.600 0.073 0.000 0.994 510 E CA 1.280 57.725 56.400 0.075 0.000 0.800 510 E CB -0.646 29.084 29.700 0.051 0.000 0.752 510 E HN 0.693 nan 8.360 nan 0.000 0.447 511 A N 1.711 124.565 122.820 0.056 0.000 1.902 511 A HA -0.099 4.221 4.320 0.000 0.000 0.217 511 A C 2.450 180.074 177.584 0.067 0.000 1.181 511 A CA 2.004 54.070 52.037 0.049 0.000 0.623 511 A CB -0.616 18.401 19.000 0.029 0.000 0.818 511 A HN 0.278 nan 8.150 nan 0.000 0.443 512 A N 0.132 123.004 122.820 0.086 0.000 1.883 512 A HA -0.128 4.192 4.320 0.000 0.000 0.217 512 A C 2.119 179.803 177.584 0.168 0.000 1.186 512 A CA 1.661 53.779 52.037 0.137 0.000 0.624 512 A CB -0.652 18.459 19.000 0.183 0.000 0.822 512 A HN 0.514 nan 8.150 nan 0.000 0.444 513 I N -0.937 119.744 120.570 0.185 0.000 2.315 513 I HA -0.252 3.919 4.170 0.000 0.000 0.248 513 I C 2.699 178.873 176.117 0.095 0.000 1.117 513 I CA 1.590 62.984 61.300 0.158 0.000 1.404 513 I CB -0.356 37.741 38.000 0.162 0.000 1.071 513 I HN 0.499 nan 8.210 nan 0.000 0.419 514 M N 1.209 120.857 119.600 0.080 0.000 2.065 514 M HA -0.239 4.241 4.480 0.000 0.000 0.259 514 M C 2.371 178.702 176.300 0.051 0.000 1.069 514 M CA 2.137 57.471 55.300 0.058 0.000 1.110 514 M CB -0.074 32.555 32.600 0.049 0.000 1.328 514 M HN 0.105 nan 8.290 nan 0.000 0.405 515 I N 0.388 120.990 120.570 0.053 0.000 2.226 515 I HA -0.307 3.863 4.170 0.000 0.000 0.245 515 I C 2.186 178.325 176.117 0.037 0.000 1.100 515 I CA 1.092 62.419 61.300 0.043 0.000 1.374 515 I CB -0.446 37.579 38.000 0.042 0.000 1.057 515 I HN 0.393 nan 8.210 nan 0.000 0.413 516 L N 0.297 121.546 121.223 0.044 0.000 2.353 516 L HA -0.164 4.176 4.340 0.000 0.000 0.220 516 L C 2.515 179.397 176.870 0.021 0.000 1.133 516 L CA 1.067 55.920 54.840 0.023 0.000 0.798 516 L CB -0.463 41.605 42.059 0.015 0.000 0.922 516 L HN 0.251 nan 8.230 nan 0.000 0.445 517 R N -0.314 120.206 120.500 0.034 0.000 2.173 517 R HA 0.158 4.498 4.340 0.000 0.000 0.208 517 R C 0.668 176.985 176.300 0.029 0.000 1.035 517 R CA 0.128 56.249 56.100 0.035 0.000 1.004 517 R CB 0.172 30.496 30.300 0.041 0.000 0.917 517 R HN 0.228 nan 8.270 nan 0.000 0.462 518 I N 3.522 124.109 120.570 0.028 0.000 2.494 518 I HA -0.069 4.101 4.170 0.000 0.000 0.289 518 I C 0.515 176.646 176.117 0.023 0.000 1.106 518 I CA 0.222 61.538 61.300 0.027 0.000 1.369 518 I CB 0.551 38.569 38.000 0.029 0.000 1.410 518 I HN 0.159 nan 8.210 nan 0.000 0.523 519 D N 4.272 124.687 120.400 0.024 0.000 2.462 519 D HA 0.130 4.770 4.640 0.000 0.000 0.221 519 D C -0.319 176.002 176.300 0.036 0.000 1.173 519 D CA -0.089 53.923 54.000 0.021 0.000 0.831 519 D CB 0.348 41.153 40.800 0.009 0.000 1.001 519 D HN 0.426 nan 8.370 nan 0.000 0.499 520 D N -0.305 120.122 120.400 0.046 0.000 2.795 520 D HA 0.243 4.883 4.640 0.000 0.000 0.206 520 D C -1.722 174.620 176.300 0.070 0.000 1.278 520 D CA -0.479 53.558 54.000 0.062 0.000 0.839 520 D CB 2.006 42.832 40.800 0.043 0.000 1.700 520 D HN -0.172 nan 8.370 nan 0.000 0.549 521 V N 4.482 124.465 119.914 0.114 0.000 2.487 521 V HA 0.584 4.705 4.120 0.000 0.000 0.298 521 V C 0.019 176.190 176.094 0.128 0.000 1.028 521 V CA -0.599 61.766 62.300 0.108 0.000 0.860 521 V CB 1.680 33.564 31.823 0.103 0.000 0.991 521 V HN 0.513 nan 8.190 nan 0.000 0.427 522 I N 4.349 124.959 120.570 0.068 0.000 2.466 522 I HA 0.736 4.906 4.170 0.000 0.000 0.279 522 I C 0.143 176.279 176.117 0.032 0.000 1.033 522 I CA -0.363 60.966 61.300 0.048 0.000 1.123 522 I CB 1.617 39.632 38.000 0.025 0.000 1.237 522 I HN 0.680 nan 8.210 nan 0.000 0.460 523 A N 3.971 126.815 122.820 0.040 0.000 2.356 523 A HA 0.922 5.242 4.320 0.000 0.000 0.323 523 A C 0.350 177.943 177.584 0.014 0.000 1.119 523 A CA -0.089 51.961 52.037 0.020 0.000 0.790 523 A CB 1.702 20.713 19.000 0.019 0.000 1.273 523 A HN 0.765 nan 8.150 nan 0.000 0.452 524 A N 0.912 123.735 122.820 0.005 0.000 1.997 524 A HA 0.540 4.860 4.320 0.000 0.000 0.214 524 A C 0.688 178.274 177.584 0.003 0.000 1.458 524 A CA 0.890 52.929 52.037 0.002 0.000 0.692 524 A CB -0.006 18.994 19.000 -0.000 0.000 1.145 524 A HN 0.501 nan 8.150 nan 0.000 0.515 525 K N -0.363 120.038 120.400 0.001 0.000 2.752 525 K HA 0.726 5.046 4.320 0.000 0.000 0.199 525 K C -0.923 175.678 176.600 0.001 0.000 1.069 525 K CA 0.740 57.029 56.287 0.002 0.000 1.033 525 K CB 1.053 33.554 32.500 0.001 0.000 1.229 525 K HN 0.758 nan 8.250 nan 0.000 0.572 526 A N 0.000 122.822 122.820 0.004 0.000 2.254 526 A HA 0.000 4.320 4.320 0.000 0.000 0.244 526 A CA 0.000 52.038 52.037 0.002 0.000 0.836 526 A CB 0.000 18.995 19.000 -0.007 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486