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 1w0j_1_B DATA FIRST_RESID 23 DATA SEQUENCE VDLEETGRVL SIGDGIARVH GLRNVQAEEM VEFSSGLKGM SLNLEPDNVG DATA SEQUENCE VVVFGNDKLI KEGDIVKRTG AIVDVPVGEE LLGRVVDALG NAIDGKGPIG DATA SEQUENCE SKARRRVGLK APGIIPRISV REPMQTGIKA VDSLVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTSIAIDT IINQKRFNDG TDEKKKLYCI YVAIGQKRST VAQLVKRLTD DATA SEQUENCE ADAMKYTIVV SATASDAAPL QYLAPYSGCS MGEYFRDNGK HALIIYDDLS DATA SEQUENCE KQAVAYRQMS LLLRRPPGRE AYPGDVFYLH SRLLERAAKM NDAFGGGSLT DATA SEQUENCE ALPVIETQAG DVSAYIPTNV ISITDGQIFL ETELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQTRA MKQVAGTMKL ELAQYREVAX XXXXXXXLDA ATQQLLSRGV DATA SEQUENCE RLTELLKQGQ YSPMAIEEQV AVIYAGVRGY LDKLEPSKIT KFENAFLSHV DATA SEQUENCE ISQHQALLGK IRTDGKISEE SDAKLKEIVT NFLAGFEA 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.097 176.094 0.005 0.000 1.182 23 V CA 0.000 62.307 62.300 0.012 0.000 1.235 23 V CB 0.000 31.828 31.823 0.009 0.000 1.184 24 D N 1.285 121.683 120.400 -0.003 0.000 2.472 24 D HA 0.516 5.156 4.640 0.000 0.000 0.234 24 D C 0.387 176.671 176.300 -0.026 0.000 1.088 24 D CA -0.278 53.714 54.000 -0.013 0.000 0.882 24 D CB 0.917 41.709 40.800 -0.013 0.000 1.037 24 D HN 0.442 nan 8.370 nan 0.000 0.520 25 L N 3.051 124.252 121.223 -0.037 0.000 2.737 25 L HA 0.267 4.608 4.340 0.000 0.000 0.236 25 L C 1.200 178.020 176.870 -0.083 0.000 1.219 25 L CA 0.186 54.981 54.840 -0.075 0.000 1.021 25 L CB 0.072 42.065 42.059 -0.109 0.000 1.291 25 L HN 0.407 nan 8.230 nan 0.000 0.470 26 E N -0.575 119.591 120.200 -0.056 0.000 2.399 26 E HA 0.038 4.388 4.350 0.000 0.000 0.205 26 E C 0.917 177.489 176.600 -0.047 0.000 0.906 26 E CA 0.160 56.530 56.400 -0.051 0.000 0.998 26 E CB 0.652 30.330 29.700 -0.036 0.000 1.002 26 E HN 0.293 nan 8.360 nan 0.000 0.501 27 E N 0.184 120.358 120.200 -0.043 0.000 2.630 27 E HA 0.190 4.540 4.350 0.000 0.000 0.218 27 E C -0.217 176.353 176.600 -0.050 0.000 0.977 27 E CA 0.230 56.605 56.400 -0.041 0.000 1.038 27 E CB 1.782 31.463 29.700 -0.031 0.000 1.051 27 E HN -0.086 nan 8.360 nan 0.000 0.487 28 T N -0.180 114.341 114.554 -0.055 0.000 2.894 28 T HA 0.655 5.006 4.350 0.000 0.000 0.309 28 T C -0.502 174.160 174.700 -0.063 0.000 1.208 28 T CA -0.529 61.538 62.100 -0.055 0.000 1.016 28 T CB 2.288 71.135 68.868 -0.035 0.000 1.192 28 T HN 0.161 nan 8.240 nan 0.000 0.491 29 G N 1.177 109.942 108.800 -0.058 0.000 2.727 29 G HA2 0.791 4.751 3.960 0.000 0.000 0.289 29 G HA3 0.791 4.751 3.960 0.000 0.000 0.289 29 G C -1.763 173.143 174.900 0.010 0.000 1.418 29 G CA -1.048 44.031 45.100 -0.036 0.000 0.818 29 G HN 0.822 nan 8.290 nan 0.000 0.486 30 R N -0.979 119.560 120.500 0.066 0.000 2.686 30 R HA 0.686 5.026 4.340 0.000 0.000 0.283 30 R C -1.128 175.238 176.300 0.109 0.000 0.978 30 R CA -0.850 55.302 56.100 0.087 0.000 0.897 30 R CB 2.034 32.390 30.300 0.092 0.000 1.192 30 R HN 0.296 nan 8.270 nan 0.000 0.457 31 V N 4.461 124.443 119.914 0.114 0.000 2.485 31 V HA -0.020 4.100 4.120 0.000 0.000 0.287 31 V C 1.403 177.545 176.094 0.079 0.000 1.022 31 V CA 0.130 62.501 62.300 0.118 0.000 1.067 31 V CB 0.428 32.334 31.823 0.139 0.000 0.967 31 V HN 0.733 nan 8.190 nan 0.000 0.479 32 L N 3.821 125.087 121.223 0.072 0.000 2.127 32 L HA 0.086 4.426 4.340 0.000 0.000 0.203 32 L C 0.957 177.842 176.870 0.025 0.000 1.080 32 L CA 1.077 55.941 54.840 0.039 0.000 0.768 32 L CB 0.024 42.106 42.059 0.039 0.000 0.924 32 L HN 0.868 nan 8.230 nan 0.000 0.444 33 S N -1.279 114.438 115.700 0.029 0.000 2.547 33 S HA 0.664 5.135 4.470 0.000 0.000 0.270 33 S C -1.015 173.591 174.600 0.009 0.000 1.150 33 S CA -0.818 57.390 58.200 0.013 0.000 0.850 33 S CB 2.647 65.850 63.200 0.005 0.000 1.118 33 S HN 0.033 nan 8.310 nan 0.000 0.461 34 I N -0.205 120.360 120.570 -0.009 0.000 2.787 34 I HA 0.801 4.971 4.170 0.000 0.000 0.294 34 I C 0.225 176.321 176.117 -0.035 0.000 1.365 34 I CA 0.630 61.913 61.300 -0.029 0.000 1.029 34 I CB 1.595 39.565 38.000 -0.050 0.000 1.313 34 I HN 1.292 nan 8.210 nan 0.000 0.431 35 G N 4.063 112.837 108.800 -0.043 0.000 3.609 35 G HA2 -0.064 3.897 3.960 0.000 0.000 0.219 35 G HA3 -0.064 3.897 3.960 0.000 0.000 0.219 35 G C 0.030 174.906 174.900 -0.040 0.000 0.951 35 G CA 0.029 45.105 45.100 -0.039 0.000 0.867 35 G HN 0.513 nan 8.290 nan 0.000 0.478 36 D N 1.253 121.629 120.400 -0.041 0.000 2.587 36 D HA 0.413 5.054 4.640 0.000 0.000 0.233 36 D C 1.737 178.004 176.300 -0.055 0.000 1.213 36 D CA 0.856 54.829 54.000 -0.045 0.000 0.827 36 D CB 0.058 40.832 40.800 -0.042 0.000 1.006 36 D HN 0.860 nan 8.370 nan 0.000 0.490 37 G N 0.657 109.421 108.800 -0.061 0.000 2.212 37 G HA2 -0.264 3.696 3.960 0.000 0.000 0.266 37 G HA3 -0.264 3.696 3.960 0.000 0.000 0.266 37 G C 0.358 175.206 174.900 -0.086 0.000 0.978 37 G CA -0.184 44.871 45.100 -0.074 0.000 0.632 37 G HN 0.359 nan 8.290 nan 0.000 0.537 38 I N 1.464 121.993 120.570 -0.069 0.000 2.382 38 I HA 0.621 4.791 4.170 0.000 0.000 0.286 38 I C 0.663 176.762 176.117 -0.030 0.000 1.002 38 I CA -0.784 60.484 61.300 -0.054 0.000 1.135 38 I CB 1.175 39.146 38.000 -0.048 0.000 1.288 38 I HN 0.298 nan 8.210 nan 0.000 0.448 39 A N 8.215 131.032 122.820 -0.005 0.000 2.366 39 A HA 0.558 4.878 4.320 0.000 0.000 0.272 39 A C 0.203 177.827 177.584 0.066 0.000 1.135 39 A CA -0.550 51.512 52.037 0.041 0.000 0.804 39 A CB 0.445 19.509 19.000 0.107 0.000 1.064 39 A HN 0.602 nan 8.150 nan 0.000 0.499 40 R N 1.524 122.057 120.500 0.054 0.000 2.368 40 R HA 0.554 4.894 4.340 0.000 0.000 0.302 40 R C -1.246 175.101 176.300 0.078 0.000 1.002 40 R CA -0.432 55.700 56.100 0.054 0.000 0.929 40 R CB 1.536 31.857 30.300 0.035 0.000 1.073 40 R HN 0.429 nan 8.270 nan 0.000 0.464 41 V N 2.908 122.868 119.914 0.076 0.000 2.569 41 V HA 0.111 4.232 4.120 0.000 0.000 0.301 41 V C -0.478 175.673 176.094 0.095 0.000 1.044 41 V CA -0.951 61.400 62.300 0.085 0.000 0.874 41 V CB 1.620 33.474 31.823 0.051 0.000 1.002 41 V HN 0.721 nan 8.190 nan 0.000 0.424 42 H N 3.447 122.524 119.070 0.012 0.000 2.722 42 H HA 0.614 5.170 4.556 0.000 0.000 0.328 42 H C 0.624 175.951 175.328 -0.002 0.000 1.067 42 H CA 1.729 57.780 56.048 0.005 0.000 1.447 42 H CB 0.883 30.649 29.762 0.007 0.000 1.469 42 H HN 1.118 nan 8.280 nan 0.000 0.544 43 G N 3.181 111.715 108.800 -0.442 0.000 2.513 43 G HA2 -0.220 3.741 3.960 0.000 0.000 0.227 43 G HA3 -0.220 3.741 3.960 0.000 0.000 0.227 43 G C 0.014 174.814 174.900 -0.166 0.000 1.176 43 G CA -0.405 44.486 45.100 -0.349 0.000 0.967 43 G HN 1.127 nan 8.290 nan 0.000 0.587 44 L N -0.226 120.925 121.223 -0.122 0.000 3.742 44 L HA -0.226 4.114 4.340 0.000 0.000 0.431 44 L C 2.196 179.021 176.870 -0.074 0.000 1.220 44 L CA 0.781 55.569 54.840 -0.086 0.000 0.863 44 L CB -0.747 41.265 42.059 -0.077 0.000 1.751 44 L HN 0.585 nan 8.230 nan 0.000 0.922 45 R N 0.025 120.475 120.500 -0.083 0.000 2.261 45 R HA -0.090 4.251 4.340 0.000 0.000 0.236 45 R C 1.439 177.714 176.300 -0.043 0.000 1.141 45 R CA 1.220 57.281 56.100 -0.065 0.000 1.001 45 R CB -0.448 29.812 30.300 -0.067 0.000 0.866 45 R HN 0.580 nan 8.270 nan 0.000 0.468 46 N N -0.080 118.596 118.700 -0.040 0.000 2.236 46 N HA 0.008 4.748 4.740 0.000 0.000 0.196 46 N C 0.050 175.545 175.510 -0.025 0.000 1.114 46 N CA 0.056 53.089 53.050 -0.029 0.000 0.859 46 N CB 0.481 38.952 38.487 -0.026 0.000 0.982 46 N HN -0.006 nan 8.380 nan 0.000 0.493 47 V N 0.019 119.915 119.914 -0.030 0.000 2.901 47 V HA 0.041 4.161 4.120 0.000 0.000 0.307 47 V C 0.515 176.601 176.094 -0.013 0.000 1.084 47 V CA -0.447 61.839 62.300 -0.024 0.000 1.184 47 V CB 0.300 32.106 31.823 -0.029 0.000 0.941 47 V HN 0.079 nan 8.190 nan 0.000 0.493 48 Q N 1.997 121.794 119.800 -0.006 0.000 2.221 48 Q HA 0.658 4.998 4.340 0.000 0.000 0.242 48 Q C 0.224 176.229 176.000 0.008 0.000 0.940 48 Q CA -0.463 55.341 55.803 0.002 0.000 0.896 48 Q CB 1.454 30.195 28.738 0.006 0.000 1.226 48 Q HN 1.101 nan 8.270 nan 0.000 0.463 49 A N 1.945 124.773 122.820 0.013 0.000 2.545 49 A HA 0.014 4.335 4.320 0.000 0.000 0.253 49 A C 0.091 177.693 177.584 0.029 0.000 1.074 49 A CA 0.376 52.426 52.037 0.021 0.000 0.760 49 A CB -0.422 18.592 19.000 0.023 0.000 1.005 49 A HN 0.944 nan 8.150 nan 0.000 0.506 50 E N -0.266 119.958 120.200 0.040 0.000 3.547 50 E HA -0.183 4.167 4.350 0.000 0.000 0.309 50 E C 0.081 176.719 176.600 0.062 0.000 0.855 50 E CA 1.079 57.515 56.400 0.059 0.000 1.122 50 E CB -1.459 28.271 29.700 0.051 0.000 1.569 50 E HN 0.941 nan 8.360 nan 0.000 0.429 51 E N 0.878 121.106 120.200 0.046 0.000 2.313 51 E HA 0.262 4.612 4.350 0.000 0.000 0.276 51 E C -0.029 176.608 176.600 0.062 0.000 1.031 51 E CA -0.505 55.919 56.400 0.041 0.000 0.857 51 E CB 0.659 30.369 29.700 0.016 0.000 1.040 51 E HN 0.039 nan 8.360 nan 0.000 0.408 52 M N 5.363 125.009 119.600 0.078 0.000 2.269 52 M HA 0.042 4.523 4.480 0.000 0.000 0.350 52 M C -0.859 175.463 176.300 0.036 0.000 1.429 52 M CA 0.060 55.422 55.300 0.103 0.000 1.063 52 M CB 0.475 33.136 32.600 0.102 0.000 1.841 52 M HN 0.345 nan 8.290 nan 0.000 0.455 53 V N 1.886 121.803 119.914 0.005 0.000 3.096 53 V HA 0.749 4.869 4.120 0.000 0.000 0.319 53 V C -0.715 175.298 176.094 -0.136 0.000 1.103 53 V CA -0.873 61.363 62.300 -0.106 0.000 1.016 53 V CB 1.918 33.615 31.823 -0.211 0.000 1.090 53 V HN 0.856 nan 8.190 nan 0.000 0.449 54 E N 0.376 120.442 120.200 -0.224 0.000 2.248 54 E HA 0.589 4.940 4.350 0.000 0.000 0.267 54 E C -1.865 174.569 176.600 -0.278 0.000 0.877 54 E CA -0.721 55.596 56.400 -0.139 0.000 0.759 54 E CB 2.035 31.716 29.700 -0.032 0.000 1.182 54 E HN 0.641 nan 8.360 nan 0.000 0.418 55 F N 1.821 121.791 119.950 0.033 0.000 2.397 55 F HA 0.174 4.702 4.527 0.000 0.000 0.331 55 F C 1.815 177.630 175.800 0.023 0.000 1.090 55 F CA -0.160 57.855 58.000 0.025 0.000 1.065 55 F CB 1.717 40.731 39.000 0.023 0.000 1.184 55 F HN 0.520 nan 8.300 nan 0.000 0.499 56 S N 1.196 117.017 115.700 0.201 0.000 2.408 56 S HA -0.280 4.190 4.470 0.000 0.000 0.241 56 S C 1.886 176.557 174.600 0.118 0.000 1.080 56 S CA 2.364 60.640 58.200 0.127 0.000 1.109 56 S CB -0.529 62.744 63.200 0.121 0.000 0.966 56 S HN 0.732 nan 8.310 nan 0.000 0.449 57 S N -0.553 115.234 115.700 0.146 0.000 2.671 57 S HA 0.461 4.931 4.470 0.000 0.000 0.220 57 S C 1.462 176.120 174.600 0.097 0.000 0.951 57 S CA 0.715 58.972 58.200 0.095 0.000 0.932 57 S CB -0.069 63.167 63.200 0.060 0.000 0.777 57 S HN 1.237 nan 8.310 nan 0.000 0.508 58 G N 0.914 109.788 108.800 0.124 0.000 2.225 58 G HA2 -0.244 3.716 3.960 0.000 0.000 0.254 58 G HA3 -0.244 3.716 3.960 0.000 0.000 0.254 58 G C 0.011 174.998 174.900 0.146 0.000 0.988 58 G CA 0.053 45.220 45.100 0.111 0.000 0.625 58 G HN 0.525 nan 8.290 nan 0.000 0.527 59 L N 1.291 122.629 121.223 0.192 0.000 2.453 59 L HA 0.298 4.638 4.340 0.000 0.000 0.272 59 L C 0.671 177.767 176.870 0.377 0.000 1.182 59 L CA -0.161 54.817 54.840 0.230 0.000 0.858 59 L CB 0.526 42.654 42.059 0.115 0.000 1.120 59 L HN 0.022 nan 8.230 nan 0.000 0.474 60 K N 2.375 122.971 120.400 0.327 0.000 2.098 60 K HA 0.703 5.023 4.320 0.000 0.000 0.261 60 K C 0.058 176.935 176.600 0.462 0.000 0.987 60 K CA -0.432 56.072 56.287 0.362 0.000 0.916 60 K CB 1.820 34.504 32.500 0.307 0.000 1.039 60 K HN 0.754 nan 8.250 nan 0.000 0.455 61 G N 0.224 109.257 108.800 0.388 0.000 2.684 61 G HA2 0.570 4.531 3.960 0.000 0.000 0.290 61 G HA3 0.570 4.531 3.960 0.000 0.000 0.290 61 G C -1.569 173.409 174.900 0.129 0.000 1.425 61 G CA -0.728 44.492 45.100 0.201 0.000 0.822 61 G HN 0.460 nan 8.290 nan 0.000 0.482 62 M N 1.042 120.603 119.600 -0.065 0.000 2.311 62 M HA 0.519 4.999 4.480 0.000 0.000 0.325 62 M C -0.409 175.900 176.300 0.016 0.000 1.061 62 M CA -0.562 54.781 55.300 0.072 0.000 0.957 62 M CB 1.697 34.401 32.600 0.173 0.000 1.646 62 M HN 0.372 nan 8.290 nan 0.000 0.434 63 S N 4.864 120.585 115.700 0.034 0.000 2.443 63 S HA 0.113 4.584 4.470 0.000 0.000 0.284 63 S C 0.447 175.062 174.600 0.025 0.000 1.206 63 S CA -0.518 57.691 58.200 0.016 0.000 1.074 63 S CB 0.609 63.813 63.200 0.007 0.000 0.963 63 S HN 0.707 nan 8.310 nan 0.000 0.501 64 L N 4.596 125.828 121.223 0.014 0.000 2.262 64 L HA 0.415 4.755 4.340 0.000 0.000 0.197 64 L C 0.234 177.115 176.870 0.020 0.000 1.073 64 L CA 1.265 56.117 54.840 0.020 0.000 0.800 64 L CB -0.025 42.035 42.059 0.002 0.000 0.987 64 L HN 0.467 nan 8.230 nan 0.000 0.470 65 N N 0.232 118.939 118.700 0.011 0.000 2.511 65 N HA 0.435 5.176 4.740 0.000 0.000 0.249 65 N C -1.486 174.030 175.510 0.009 0.000 0.971 65 N CA -0.194 52.863 53.050 0.011 0.000 0.938 65 N CB 0.726 39.216 38.487 0.006 0.000 1.131 65 N HN 0.110 nan 8.380 nan 0.000 0.505 66 L N 2.304 123.533 121.223 0.009 0.000 2.261 66 L HA 0.418 4.759 4.340 0.000 0.000 0.289 66 L C 0.210 177.083 176.870 0.006 0.000 1.059 66 L CA -0.232 54.611 54.840 0.005 0.000 0.816 66 L CB 0.613 42.674 42.059 0.003 0.000 1.191 66 L HN 0.415 nan 8.230 nan 0.000 0.431 67 E N 3.520 123.724 120.200 0.006 0.000 2.281 67 E HA 0.331 4.682 4.350 0.000 0.000 0.262 67 E C -1.753 174.852 176.600 0.008 0.000 0.933 67 E CA -1.790 54.615 56.400 0.009 0.000 0.809 67 E CB 1.765 31.472 29.700 0.012 0.000 1.242 67 E HN 0.270 nan 8.360 nan 0.000 0.418 68 P HA -0.213 nan 4.420 nan 0.000 0.216 68 P C 0.405 177.716 177.300 0.020 0.000 1.154 68 P CA 1.540 64.647 63.100 0.012 0.000 0.865 68 P CB 0.139 31.847 31.700 0.013 0.000 0.789 69 D N -2.593 117.826 120.400 0.031 0.000 2.433 69 D HA 0.060 4.700 4.640 0.000 0.000 0.211 69 D C 0.216 176.562 176.300 0.077 0.000 1.114 69 D CA -0.165 53.871 54.000 0.061 0.000 0.837 69 D CB -0.684 40.154 40.800 0.064 0.000 0.984 69 D HN 0.380 nan 8.370 nan 0.000 0.505 70 N N -1.470 117.256 118.700 0.043 0.000 2.927 70 N HA 0.449 5.189 4.740 0.000 0.000 0.248 70 N C -1.927 173.593 175.510 0.018 0.000 1.443 70 N CA -0.994 52.081 53.050 0.041 0.000 0.870 70 N CB 1.774 40.293 38.487 0.053 0.000 1.444 70 N HN -0.214 nan 8.380 nan 0.000 0.519 71 V N -0.087 119.836 119.914 0.016 0.000 2.495 71 V HA 0.760 4.881 4.120 0.000 0.000 0.298 71 V C 0.520 176.626 176.094 0.020 0.000 1.031 71 V CA -0.644 61.661 62.300 0.008 0.000 0.871 71 V CB 1.278 33.097 31.823 -0.006 0.000 0.988 71 V HN 0.879 nan 8.190 nan 0.000 0.432 72 G N 3.305 112.114 108.800 0.015 0.000 2.339 72 G HA2 0.535 4.495 3.960 0.000 0.000 0.287 72 G HA3 0.535 4.495 3.960 0.000 0.000 0.287 72 G C -0.786 174.123 174.900 0.014 0.000 1.163 72 G CA -0.237 44.872 45.100 0.014 0.000 0.872 72 G HN 0.547 nan 8.290 nan 0.000 0.464 73 V N 3.524 123.459 119.914 0.034 0.000 2.409 73 V HA 0.231 4.351 4.120 0.000 0.000 0.291 73 V C 0.199 176.285 176.094 -0.013 0.000 1.020 73 V CA -0.757 61.568 62.300 0.042 0.000 0.848 73 V CB 1.719 33.639 31.823 0.160 0.000 0.990 73 V HN 0.540 nan 8.190 nan 0.000 0.430 74 V N 5.955 125.801 119.914 -0.113 0.000 2.455 74 V HA 0.194 4.314 4.120 0.000 0.000 0.273 74 V C 0.189 176.049 176.094 -0.390 0.000 1.045 74 V CA -0.250 61.903 62.300 -0.245 0.000 0.976 74 V CB 1.432 33.062 31.823 -0.321 0.000 0.993 74 V HN 0.620 nan 8.190 nan 0.000 0.475 75 V N 6.357 126.099 119.914 -0.287 0.000 2.348 75 V HA 0.297 4.417 4.120 0.000 0.000 0.270 75 V C 0.213 176.194 176.094 -0.187 0.000 1.037 75 V CA -0.265 61.901 62.300 -0.224 0.000 0.872 75 V CB 0.594 32.282 31.823 -0.224 0.000 1.002 75 V HN 0.751 nan 8.190 nan 0.000 0.464 76 F N 4.425 124.437 119.950 0.103 0.000 2.727 76 F HA 0.522 5.049 4.527 0.000 0.000 0.349 76 F C 1.295 177.135 175.800 0.066 0.000 1.172 76 F CA 0.378 58.438 58.000 0.099 0.000 1.355 76 F CB 0.052 39.123 39.000 0.117 0.000 1.546 76 F HN 0.715 nan 8.300 nan 0.000 0.596 77 G N -0.081 108.808 108.800 0.147 0.000 2.348 77 G HA2 -0.002 3.959 3.960 0.000 0.000 0.296 77 G HA3 -0.002 3.959 3.960 0.000 0.000 0.296 77 G C -1.682 173.230 174.900 0.019 0.000 1.258 77 G CA -1.004 44.149 45.100 0.088 0.000 0.868 77 G HN -0.001 nan 8.290 nan 0.000 0.488 78 N N 1.720 120.420 118.700 0.000 0.000 2.420 78 N HA 0.120 4.860 4.740 0.000 0.000 0.262 78 N C 0.684 176.149 175.510 -0.075 0.000 1.144 78 N CA 0.223 53.257 53.050 -0.026 0.000 0.952 78 N CB 0.981 39.461 38.487 -0.012 0.000 1.081 78 N HN 0.575 nan 8.380 nan 0.000 0.480 79 D N 3.074 123.417 120.400 -0.094 0.000 2.363 79 D HA -0.153 4.488 4.640 0.000 0.000 0.226 79 D C 1.282 177.515 176.300 -0.111 0.000 1.020 79 D CA 0.261 54.174 54.000 -0.145 0.000 0.892 79 D CB 0.188 40.897 40.800 -0.151 0.000 0.900 79 D HN 0.630 nan 8.370 nan 0.000 0.531 80 K N 1.620 121.977 120.400 -0.071 0.000 2.211 80 K HA -0.148 4.172 4.320 0.000 0.000 0.204 80 K C 1.823 178.390 176.600 -0.056 0.000 1.047 80 K CA 0.792 57.047 56.287 -0.052 0.000 0.935 80 K CB -0.275 32.206 32.500 -0.032 0.000 0.728 80 K HN 0.196 nan 8.250 nan 0.000 0.452 81 L N 1.215 122.396 121.223 -0.071 0.000 2.599 81 L HA 0.223 4.563 4.340 0.000 0.000 0.230 81 L C 0.605 177.426 176.870 -0.081 0.000 1.141 81 L CA -0.038 54.766 54.840 -0.060 0.000 0.877 81 L CB -0.083 41.947 42.059 -0.048 0.000 1.009 81 L HN 0.150 nan 8.230 nan 0.000 0.447 82 I N -0.102 120.393 120.570 -0.125 0.000 2.493 82 I HA 0.327 4.498 4.170 0.000 0.000 0.298 82 I C -0.278 175.798 176.117 -0.068 0.000 0.998 82 I CA -0.565 60.652 61.300 -0.138 0.000 1.137 82 I CB 1.830 39.631 38.000 -0.332 0.000 1.310 82 I HN -0.018 nan 8.210 nan 0.000 0.445 83 K N 3.855 124.244 120.400 -0.019 0.000 2.443 83 K HA 0.372 4.693 4.320 0.000 0.000 0.251 83 K C -0.846 175.767 176.600 0.020 0.000 0.972 83 K CA -0.962 55.324 56.287 -0.002 0.000 0.833 83 K CB 2.390 34.893 32.500 0.005 0.000 1.317 83 K HN 0.524 nan 8.250 nan 0.000 0.441 84 E N 0.261 120.470 120.200 0.016 0.000 2.452 84 E HA -0.008 4.342 4.350 0.000 0.000 0.261 84 E C 0.529 177.149 176.600 0.033 0.000 0.987 84 E CA 1.445 57.861 56.400 0.026 0.000 0.926 84 E CB 0.229 29.936 29.700 0.013 0.000 0.934 84 E HN 0.778 nan 8.360 nan 0.000 0.452 85 G N 4.121 112.948 108.800 0.045 0.000 2.258 85 G HA2 -0.237 3.723 3.960 0.000 0.000 0.233 85 G HA3 -0.237 3.723 3.960 0.000 0.000 0.233 85 G C -0.135 174.801 174.900 0.061 0.000 1.006 85 G CA 0.109 45.236 45.100 0.045 0.000 0.620 85 G HN 0.660 nan 8.290 nan 0.000 0.511 86 D N 0.860 121.306 120.400 0.078 0.000 2.506 86 D HA 0.364 5.004 4.640 0.000 0.000 0.234 86 D C 0.826 177.190 176.300 0.107 0.000 1.143 86 D CA 0.118 54.179 54.000 0.101 0.000 0.871 86 D CB 0.632 41.517 40.800 0.142 0.000 1.190 86 D HN 0.290 nan 8.370 nan 0.000 0.459 87 I N 1.879 122.497 120.570 0.081 0.000 2.529 87 I HA 0.056 4.226 4.170 0.000 0.000 0.284 87 I C -0.089 176.037 176.117 0.015 0.000 1.082 87 I CA 0.065 61.391 61.300 0.044 0.000 1.406 87 I CB 0.947 38.964 38.000 0.027 0.000 1.405 87 I HN 0.023 nan 8.210 nan 0.000 0.548 88 V N 6.690 126.566 119.914 -0.064 0.000 2.540 88 V HA 0.473 4.593 4.120 0.000 0.000 0.302 88 V C -0.252 175.735 176.094 -0.178 0.000 1.035 88 V CA -1.020 61.141 62.300 -0.233 0.000 0.873 88 V CB 1.776 33.389 31.823 -0.351 0.000 0.992 88 V HN 0.557 nan 8.190 nan 0.000 0.428 89 K N 3.262 123.549 120.400 -0.190 0.000 2.270 89 K HA 0.579 4.900 4.320 0.000 0.000 0.255 89 K C -0.229 176.301 176.600 -0.118 0.000 0.936 89 K CA -0.849 55.367 56.287 -0.117 0.000 0.809 89 K CB 2.158 34.615 32.500 -0.071 0.000 1.131 89 K HN 0.566 nan 8.250 nan 0.000 0.427 90 R N 0.506 120.955 120.500 -0.085 0.000 2.697 90 R HA -0.050 4.291 4.340 0.000 0.000 0.265 90 R C 1.011 177.286 176.300 -0.043 0.000 1.009 90 R CA 0.767 56.831 56.100 -0.061 0.000 1.099 90 R CB 0.242 30.515 30.300 -0.045 0.000 0.965 90 R HN 0.794 nan 8.270 nan 0.000 0.428 91 T N -2.139 112.399 114.554 -0.027 0.000 3.040 91 T HA 0.170 4.521 4.350 0.000 0.000 0.266 91 T C 1.319 176.016 174.700 -0.006 0.000 1.005 91 T CA 0.262 62.354 62.100 -0.012 0.000 0.906 91 T CB 0.676 69.544 68.868 0.001 0.000 1.082 91 T HN 0.810 nan 8.240 nan 0.000 0.531 92 G N 1.558 110.353 108.800 -0.009 0.000 2.196 92 G HA2 -0.115 3.845 3.960 0.000 0.000 0.268 92 G HA3 -0.115 3.845 3.960 0.000 0.000 0.268 92 G C 0.291 175.192 174.900 0.002 0.000 0.975 92 G CA 0.107 45.204 45.100 -0.005 0.000 0.648 92 G HN 1.365 nan 8.290 nan 0.000 0.538 93 A N 0.675 123.499 122.820 0.007 0.000 2.304 93 A HA 0.739 5.059 4.320 0.000 0.000 0.323 93 A C 0.449 178.045 177.584 0.020 0.000 1.195 93 A CA -0.725 51.319 52.037 0.011 0.000 0.826 93 A CB 0.793 19.799 19.000 0.011 0.000 1.184 93 A HN 0.464 nan 8.150 nan 0.000 0.496 94 I N 2.360 122.941 120.570 0.019 0.000 2.752 94 I HA -0.005 4.166 4.170 0.000 0.000 0.287 94 I C 0.775 176.909 176.117 0.028 0.000 1.188 94 I CA 0.107 61.423 61.300 0.026 0.000 1.427 94 I CB 0.577 38.588 38.000 0.018 0.000 1.365 94 I HN 0.373 nan 8.210 nan 0.000 0.585 95 V N 6.818 126.760 119.914 0.047 0.000 2.678 95 V HA -0.093 4.027 4.120 0.000 0.000 0.304 95 V C 0.220 176.313 176.094 -0.002 0.000 1.086 95 V CA 0.575 62.899 62.300 0.040 0.000 1.246 95 V CB -0.439 31.427 31.823 0.071 0.000 0.861 95 V HN 0.961 nan 8.190 nan 0.000 0.491 96 D N 3.753 124.144 120.400 -0.014 0.000 2.596 96 D HA 0.674 5.314 4.640 0.000 0.000 0.262 96 D C -0.723 175.558 176.300 -0.033 0.000 1.210 96 D CA -0.565 53.423 54.000 -0.020 0.000 0.873 96 D CB 2.117 42.913 40.800 -0.007 0.000 1.408 96 D HN 0.504 nan 8.370 nan 0.000 0.441 97 V N -4.443 115.454 119.914 -0.028 0.000 3.040 97 V HA 0.790 4.911 4.120 0.000 0.000 0.312 97 V C -2.792 173.284 176.094 -0.030 0.000 1.115 97 V CA -2.259 60.021 62.300 -0.033 0.000 0.998 97 V CB 1.837 33.639 31.823 -0.035 0.000 1.042 97 V HN 0.625 nan 8.190 nan 0.000 0.433 98 P HA 0.314 nan 4.420 nan 0.000 0.269 98 P C -0.799 176.457 177.300 -0.074 0.000 1.215 98 P CA 0.140 63.207 63.100 -0.054 0.000 0.780 98 P CB 1.519 33.188 31.700 -0.051 0.000 0.898 99 V N 1.060 120.897 119.914 -0.129 0.000 3.048 99 V HA 0.773 4.893 4.120 0.000 0.000 0.303 99 V C 0.136 175.942 176.094 -0.480 0.000 1.214 99 V CA 0.432 62.605 62.300 -0.212 0.000 0.984 99 V CB 2.000 33.765 31.823 -0.096 0.000 1.054 99 V HN 1.113 nan 8.190 nan 0.000 0.430 100 G N 3.153 111.408 108.800 -0.909 0.000 2.353 100 G HA2 0.023 3.983 3.960 0.000 0.000 0.424 100 G HA3 0.023 3.983 3.960 0.000 0.000 0.424 100 G C -0.113 174.286 174.900 -0.835 0.000 1.320 100 G CA -0.062 44.180 45.100 -1.430 0.000 0.995 100 G HN 0.649 nan 8.290 nan 0.000 0.580 101 E N 0.339 120.169 120.200 -0.617 0.000 2.516 101 E HA -0.058 4.292 4.350 0.000 0.000 0.199 101 E C 1.844 178.392 176.600 -0.087 0.000 1.069 101 E CA 0.963 57.233 56.400 -0.217 0.000 0.876 101 E CB 0.117 29.752 29.700 -0.109 0.000 0.843 101 E HN 0.635 nan 8.360 nan 0.000 0.530 102 E N 0.670 120.790 120.200 -0.134 0.000 2.427 102 E HA -0.110 4.240 4.350 0.000 0.000 0.196 102 E C 1.821 178.399 176.600 -0.037 0.000 1.028 102 E CA 0.427 56.787 56.400 -0.067 0.000 0.864 102 E CB -0.153 29.500 29.700 -0.079 0.000 0.813 102 E HN 0.330 nan 8.360 nan 0.000 0.514 103 L N 0.744 121.944 121.223 -0.039 0.000 2.418 103 L HA 0.105 4.445 4.340 0.000 0.000 0.218 103 L C 1.177 178.074 176.870 0.045 0.000 1.125 103 L CA 0.013 54.853 54.840 0.000 0.000 0.835 103 L CB -0.134 41.924 42.059 -0.002 0.000 0.953 103 L HN 0.007 nan 8.230 nan 0.000 0.454 104 L N 0.386 121.658 121.223 0.081 0.000 2.525 104 L HA 0.058 4.398 4.340 0.000 0.000 0.278 104 L C 1.506 178.414 176.870 0.064 0.000 1.218 104 L CA 0.755 55.665 54.840 0.117 0.000 0.878 104 L CB -0.107 42.069 42.059 0.194 0.000 1.127 104 L HN 0.373 nan 8.230 nan 0.000 0.492 105 G N 1.687 110.509 108.800 0.036 0.000 2.212 105 G HA2 -0.240 3.720 3.960 0.000 0.000 0.266 105 G HA3 -0.240 3.720 3.960 0.000 0.000 0.266 105 G C 0.391 175.289 174.900 -0.003 0.000 0.978 105 G CA -0.175 44.924 45.100 -0.002 0.000 0.632 105 G HN 0.478 nan 8.290 nan 0.000 0.537 106 R N -0.266 120.240 120.500 0.010 0.000 2.536 106 R HA 0.665 5.005 4.340 0.000 0.000 0.279 106 R C -0.036 176.270 176.300 0.011 0.000 1.001 106 R CA -0.838 55.266 56.100 0.007 0.000 1.027 106 R CB 1.393 31.697 30.300 0.007 0.000 1.096 106 R HN 0.223 nan 8.270 nan 0.000 0.502 107 V N 2.925 122.844 119.914 0.009 0.000 2.357 107 V HA 0.368 4.489 4.120 0.000 0.000 0.284 107 V C 0.161 176.265 176.094 0.017 0.000 1.018 107 V CA -0.803 61.507 62.300 0.017 0.000 0.841 107 V CB 1.405 33.236 31.823 0.014 0.000 0.991 107 V HN 0.572 nan 8.190 nan 0.000 0.437 108 V N 1.329 121.255 119.914 0.021 0.000 2.919 108 V HA 0.803 4.923 4.120 0.000 0.000 0.316 108 V C -0.167 175.939 176.094 0.019 0.000 1.077 108 V CA -0.845 61.465 62.300 0.015 0.000 0.977 108 V CB 2.008 33.836 31.823 0.007 0.000 1.039 108 V HN 0.789 nan 8.190 nan 0.000 0.441 109 D N 2.535 122.945 120.400 0.015 0.000 2.398 109 D HA 0.413 5.053 4.640 0.000 0.000 0.264 109 D C 1.222 177.522 176.300 0.000 0.000 1.263 109 D CA 0.116 54.126 54.000 0.017 0.000 1.037 109 D CB 0.829 41.643 40.800 0.024 0.000 1.101 109 D HN 0.808 nan 8.370 nan 0.000 0.551 110 A N -0.877 121.939 122.820 -0.006 0.000 2.067 110 A HA -0.019 4.301 4.320 0.000 0.000 0.219 110 A C 2.230 179.760 177.584 -0.090 0.000 1.158 110 A CA 0.879 52.891 52.037 -0.040 0.000 0.661 110 A CB -0.785 18.194 19.000 -0.035 0.000 0.801 110 A HN 0.518 nan 8.150 nan 0.000 0.452 111 L N -2.176 119.001 121.223 -0.077 0.000 2.529 111 L HA 0.281 4.621 4.340 0.000 0.000 0.223 111 L C 1.736 178.575 176.870 -0.052 0.000 1.113 111 L CA 0.616 55.399 54.840 -0.094 0.000 0.861 111 L CB 0.111 42.130 42.059 -0.066 0.000 1.012 111 L HN 0.517 nan 8.230 nan 0.000 0.461 112 G N -0.666 108.115 108.800 -0.032 0.000 2.195 112 G HA2 -0.232 3.728 3.960 0.000 0.000 0.224 112 G HA3 -0.232 3.728 3.960 0.000 0.000 0.224 112 G C 0.076 174.970 174.900 -0.011 0.000 0.990 112 G CA -0.447 44.640 45.100 -0.021 0.000 0.639 112 G HN 0.302 nan 8.290 nan 0.000 0.514 113 N N 1.560 120.257 118.700 -0.004 0.000 2.458 113 N HA 0.486 5.226 4.740 0.000 0.000 0.258 113 N C 0.664 176.177 175.510 0.006 0.000 1.219 113 N CA 0.796 53.849 53.050 0.004 0.000 0.902 113 N CB 1.101 39.596 38.487 0.013 0.000 1.076 113 N HN 0.821 nan 8.380 nan 0.000 0.455 114 A N 1.737 124.560 122.820 0.005 0.000 2.407 114 A HA 0.338 4.659 4.320 0.000 0.000 0.248 114 A C 1.291 178.882 177.584 0.010 0.000 1.082 114 A CA -0.325 51.716 52.037 0.006 0.000 0.785 114 A CB -0.221 18.780 19.000 0.003 0.000 1.020 114 A HN 0.844 nan 8.150 nan 0.000 0.489 115 I N -1.657 118.920 120.570 0.011 0.000 4.442 115 I HA 0.240 4.410 4.170 0.000 0.000 0.331 115 I C 0.203 176.326 176.117 0.011 0.000 1.364 115 I CA 0.057 61.365 61.300 0.014 0.000 1.207 115 I CB 0.479 38.491 38.000 0.019 0.000 1.298 115 I HN 0.447 nan 8.210 nan 0.000 0.463 116 D N 1.482 121.886 120.400 0.007 0.000 2.328 116 D HA 0.149 4.789 4.640 0.000 0.000 0.221 116 D C 1.617 177.918 176.300 0.001 0.000 1.072 116 D CA 0.470 54.472 54.000 0.003 0.000 0.850 116 D CB 0.001 40.801 40.800 -0.001 0.000 0.922 116 D HN 0.457 nan 8.370 nan 0.000 0.516 117 G N 0.958 109.760 108.800 0.003 0.000 2.203 117 G HA2 -0.377 3.583 3.960 0.000 0.000 0.263 117 G HA3 -0.377 3.583 3.960 0.000 0.000 0.263 117 G C 0.660 175.560 174.900 0.001 0.000 1.012 117 G CA 0.473 45.575 45.100 0.003 0.000 0.749 117 G HN 0.478 nan 8.290 nan 0.000 0.512 118 K N 0.138 120.538 120.400 -0.000 0.000 2.437 118 K HA 0.469 4.789 4.320 0.000 0.000 0.205 118 K C 1.418 178.018 176.600 -0.001 0.000 1.026 118 K CA 0.255 56.541 56.287 -0.001 0.000 1.153 118 K CB 0.457 32.955 32.500 -0.003 0.000 0.863 118 K HN 1.370 nan 8.250 nan 0.000 0.502 119 G N 2.408 111.208 108.800 0.000 0.000 2.725 119 G HA2 -0.211 3.749 3.960 0.000 0.000 0.220 119 G HA3 -0.211 3.749 3.960 0.000 0.000 0.220 119 G C -2.695 172.204 174.900 -0.001 0.000 1.357 119 G CA -1.219 43.881 45.100 0.000 0.000 0.866 119 G HN 0.051 nan 8.290 nan 0.000 0.548 120 P HA 0.467 nan 4.420 nan 0.000 0.272 120 P C 0.318 177.613 177.300 -0.009 0.000 1.240 120 P CA -0.601 62.496 63.100 -0.004 0.000 0.791 120 P CB 0.355 32.052 31.700 -0.004 0.000 0.978 121 I N 0.849 121.411 120.570 -0.013 0.000 2.416 121 I HA 0.135 4.305 4.170 0.000 0.000 0.288 121 I C 1.553 177.654 176.117 -0.026 0.000 1.051 121 I CA 0.008 61.296 61.300 -0.021 0.000 1.375 121 I CB 0.036 38.020 38.000 -0.027 0.000 1.407 121 I HN 0.488 nan 8.210 nan 0.000 0.516 122 G N 4.380 113.163 108.800 -0.029 0.000 3.392 122 G HA2 0.054 4.015 3.960 0.000 0.000 0.247 122 G HA3 0.054 4.015 3.960 0.000 0.000 0.247 122 G C 0.576 175.449 174.900 -0.045 0.000 1.161 122 G CA -0.129 44.953 45.100 -0.030 0.000 1.739 122 G HN 0.610 nan 8.290 nan 0.000 0.619 123 S N -0.537 115.132 115.700 -0.051 0.000 2.523 123 S HA 0.333 4.804 4.470 0.000 0.000 0.275 123 S C 1.214 175.778 174.600 -0.060 0.000 1.281 123 S CA -0.475 57.680 58.200 -0.074 0.000 1.050 123 S CB 1.448 64.602 63.200 -0.078 0.000 0.937 123 S HN 0.404 nan 8.310 nan 0.000 0.492 124 K N 3.074 123.431 120.400 -0.070 0.000 2.214 124 K HA 0.358 4.678 4.320 0.000 0.000 0.201 124 K C 0.787 177.363 176.600 -0.039 0.000 1.049 124 K CA 0.581 56.841 56.287 -0.046 0.000 0.978 124 K CB 0.079 32.557 32.500 -0.036 0.000 0.842 124 K HN 0.676 nan 8.250 nan 0.000 0.474 125 A N 1.376 124.164 122.820 -0.053 0.000 2.269 125 A HA 0.586 4.907 4.320 0.000 0.000 0.319 125 A C -0.486 177.076 177.584 -0.037 0.000 1.110 125 A CA -0.459 51.560 52.037 -0.029 0.000 0.847 125 A CB 0.693 19.696 19.000 0.006 0.000 1.161 125 A HN 0.124 nan 8.150 nan 0.000 0.497 126 R N -0.545 119.947 120.500 -0.015 0.000 2.888 126 R HA 0.747 5.087 4.340 0.000 0.000 0.264 126 R C -0.862 175.440 176.300 0.004 0.000 1.045 126 R CA -0.830 55.262 56.100 -0.014 0.000 0.962 126 R CB 2.298 32.591 30.300 -0.012 0.000 1.210 126 R HN 0.767 nan 8.270 nan 0.000 0.479 127 R N 0.795 121.297 120.500 0.004 0.000 2.535 127 R HA 0.277 4.617 4.340 0.000 0.000 0.274 127 R C -0.988 175.317 176.300 0.008 0.000 1.090 127 R CA -0.775 55.334 56.100 0.015 0.000 0.930 127 R CB 1.852 32.172 30.300 0.033 0.000 1.223 127 R HN 0.536 nan 8.270 nan 0.000 0.441 128 R N 1.315 121.820 120.500 0.007 0.000 2.640 128 R HA -0.019 4.321 4.340 0.000 0.000 0.270 128 R C 1.483 177.781 176.300 -0.003 0.000 1.024 128 R CA 0.208 56.307 56.100 -0.001 0.000 1.085 128 R CB 0.594 30.893 30.300 -0.000 0.000 0.963 128 R HN 0.507 nan 8.270 nan 0.000 0.426 129 V N 0.203 120.105 119.914 -0.021 0.000 2.951 129 V HA 0.088 4.209 4.120 0.000 0.000 0.255 129 V C 1.291 177.355 176.094 -0.050 0.000 1.088 129 V CA 1.635 63.924 62.300 -0.019 0.000 1.109 129 V CB 0.020 31.814 31.823 -0.047 0.000 0.724 129 V HN 0.877 nan 8.190 nan 0.000 0.471 130 G N 0.178 108.932 108.800 -0.078 0.000 3.337 130 G HA2 0.357 4.318 3.960 0.000 0.000 0.246 130 G HA3 0.357 4.318 3.960 0.000 0.000 0.246 130 G C 0.406 175.273 174.900 -0.055 0.000 1.131 130 G CA -0.461 44.569 45.100 -0.117 0.000 0.773 130 G HN 0.449 nan 8.290 nan 0.000 0.544 131 L N 1.020 122.232 121.223 -0.018 0.000 2.525 131 L HA 0.114 4.455 4.340 0.000 0.000 0.278 131 L C 1.002 177.874 176.870 0.004 0.000 1.218 131 L CA 0.029 54.870 54.840 0.000 0.000 0.878 131 L CB 0.642 42.708 42.059 0.012 0.000 1.127 131 L HN 0.071 nan 8.230 nan 0.000 0.492 132 K N 2.352 122.759 120.400 0.011 0.000 2.355 132 K HA 0.327 4.648 4.320 0.000 0.000 0.270 132 K C -0.042 176.566 176.600 0.013 0.000 1.003 132 K CA -0.508 55.790 56.287 0.019 0.000 0.957 132 K CB 0.911 33.428 32.500 0.027 0.000 0.939 132 K HN 0.694 nan 8.250 nan 0.000 0.482 133 A N 5.000 127.829 122.820 0.015 0.000 2.425 133 A HA 0.245 4.566 4.320 0.000 0.000 0.242 133 A C -2.148 175.427 177.584 -0.014 0.000 1.077 133 A CA -1.129 50.910 52.037 0.004 0.000 0.781 133 A CB -0.458 18.547 19.000 0.009 0.000 1.020 133 A HN 0.583 nan 8.150 nan 0.000 0.494 134 P HA 0.148 nan 4.420 nan 0.000 0.265 134 P C 0.771 178.025 177.300 -0.076 0.000 1.187 134 P CA 0.725 63.776 63.100 -0.082 0.000 0.766 134 P CB 0.373 32.002 31.700 -0.118 0.000 0.820 135 G N 1.485 110.230 108.800 -0.091 0.000 2.485 135 G HA2 0.123 4.083 3.960 0.000 0.000 0.260 135 G HA3 0.123 4.083 3.960 0.000 0.000 0.260 135 G C 1.078 175.929 174.900 -0.081 0.000 1.459 135 G CA -0.536 44.524 45.100 -0.066 0.000 1.060 135 G HN 0.417 nan 8.290 nan 0.000 0.546 136 I N -0.136 120.398 120.570 -0.059 0.000 2.233 136 I HA -0.081 4.089 4.170 0.000 0.000 0.243 136 I C 2.554 178.628 176.117 -0.071 0.000 1.093 136 I CA 0.499 61.769 61.300 -0.049 0.000 1.380 136 I CB -0.101 37.886 38.000 -0.022 0.000 1.067 136 I HN 0.213 nan 8.210 nan 0.000 0.413 137 I N 1.118 121.640 120.570 -0.081 0.000 2.226 137 I HA -0.142 4.029 4.170 0.000 0.000 0.245 137 I C -0.284 175.743 176.117 -0.149 0.000 1.100 137 I CA 1.648 62.909 61.300 -0.065 0.000 1.374 137 I CB -2.607 35.392 38.000 -0.003 0.000 1.057 137 I HN 0.172 nan 8.210 nan 0.000 0.413 138 P HA -0.043 nan 4.420 nan 0.000 0.234 138 P C 0.347 177.472 177.300 -0.291 0.000 1.167 138 P CA 0.828 63.457 63.100 -0.785 0.000 0.763 138 P CB 0.062 31.001 31.700 -1.267 0.000 0.835 139 R N -0.333 120.075 120.500 -0.153 0.000 2.596 139 R HA 0.705 5.045 4.340 0.000 0.000 0.267 139 R C -0.089 176.203 176.300 -0.014 0.000 1.026 139 R CA -0.789 55.270 56.100 -0.068 0.000 1.087 139 R CB 1.280 31.547 30.300 -0.056 0.000 1.132 139 R HN 0.017 nan 8.270 nan 0.000 0.531 140 I N -0.335 120.238 120.570 0.005 0.000 2.994 140 I HA 0.240 4.410 4.170 0.000 0.000 0.306 140 I C -0.499 175.626 176.117 0.013 0.000 1.195 140 I CA -0.742 60.567 61.300 0.016 0.000 1.001 140 I CB 2.387 40.405 38.000 0.030 0.000 1.244 140 I HN 0.826 nan 8.210 nan 0.000 0.437 141 S N 4.343 120.051 115.700 0.012 0.000 2.568 141 S HA 0.254 4.725 4.470 0.000 0.000 0.282 141 S C 0.072 174.678 174.600 0.010 0.000 1.338 141 S CA -0.616 57.590 58.200 0.010 0.000 1.045 141 S CB 0.863 64.068 63.200 0.009 0.000 0.873 141 S HN 0.699 nan 8.310 nan 0.000 0.516 142 V N 1.466 121.384 119.914 0.007 0.000 2.872 142 V HA 0.462 4.582 4.120 0.000 0.000 0.307 142 V C 0.924 177.015 176.094 -0.006 0.000 1.072 142 V CA 0.088 62.390 62.300 0.002 0.000 1.148 142 V CB 0.246 32.069 31.823 -0.001 0.000 0.954 142 V HN 1.193 nan 8.190 nan 0.000 0.490 143 R N 0.721 121.211 120.500 -0.016 0.000 2.425 143 R HA 0.360 4.701 4.340 0.000 0.000 0.299 143 R C -0.331 175.941 176.300 -0.046 0.000 0.830 143 R CA -0.451 55.636 56.100 -0.022 0.000 1.052 143 R CB 0.091 30.385 30.300 -0.010 0.000 1.747 143 R HN 0.720 nan 8.270 nan 0.000 0.472 144 E N 2.685 122.841 120.200 -0.073 0.000 2.199 144 E HA 0.421 4.771 4.350 0.000 0.000 0.269 144 E C -2.753 173.765 176.600 -0.136 0.000 0.899 144 E CA -2.524 53.800 56.400 -0.126 0.000 0.772 144 E CB 2.182 31.760 29.700 -0.204 0.000 1.155 144 E HN -0.072 nan 8.360 nan 0.000 0.408 145 P HA -0.002 nan 4.420 nan 0.000 0.268 145 P C -0.699 176.493 177.300 -0.179 0.000 1.204 145 P CA -0.092 62.930 63.100 -0.129 0.000 0.768 145 P CB 0.432 32.063 31.700 -0.114 0.000 0.842 146 M N 3.746 123.273 119.600 -0.123 0.000 2.131 146 M HA 0.146 4.626 4.480 0.000 0.000 0.345 146 M C -0.681 175.580 176.300 -0.065 0.000 1.060 146 M CA -0.432 54.796 55.300 -0.120 0.000 1.011 146 M CB 0.096 32.649 32.600 -0.078 0.000 1.328 146 M HN 0.311 nan 8.290 nan 0.000 0.396 147 Q N 2.400 122.166 119.800 -0.057 0.000 2.288 147 Q HA 0.192 4.532 4.340 0.000 0.000 0.258 147 Q C 1.212 177.253 176.000 0.068 0.000 0.957 147 Q CA 0.143 55.967 55.803 0.036 0.000 0.919 147 Q CB 0.886 29.703 28.738 0.131 0.000 1.185 147 Q HN 0.742 nan 8.270 nan 0.000 0.408 148 T N -1.382 113.201 114.554 0.048 0.000 2.978 148 T HA 0.122 4.472 4.350 0.000 0.000 0.262 148 T C 1.242 175.971 174.700 0.049 0.000 1.063 148 T CA 0.664 62.791 62.100 0.045 0.000 1.140 148 T CB 0.106 68.992 68.868 0.030 0.000 0.886 148 T HN 0.832 nan 8.240 nan 0.000 0.470 149 G N 1.344 110.173 108.800 0.048 0.000 2.176 149 G HA2 -0.161 3.799 3.960 0.000 0.000 0.232 149 G HA3 -0.161 3.799 3.960 0.000 0.000 0.232 149 G C -0.029 174.883 174.900 0.019 0.000 0.986 149 G CA -0.055 45.064 45.100 0.033 0.000 0.643 149 G HN 0.646 nan 8.290 nan 0.000 0.522 150 I N 0.987 121.569 120.570 0.020 0.000 2.330 150 I HA 0.299 4.469 4.170 0.000 0.000 0.289 150 I C 1.487 177.614 176.117 0.017 0.000 1.001 150 I CA -0.856 60.452 61.300 0.013 0.000 1.193 150 I CB 1.458 39.464 38.000 0.010 0.000 1.345 150 I HN -0.020 nan 8.210 nan 0.000 0.461 151 K N 4.229 124.638 120.400 0.015 0.000 2.044 151 K HA -0.208 4.112 4.320 0.000 0.000 0.210 151 K C 2.080 178.692 176.600 0.019 0.000 1.049 151 K CA 1.813 58.112 56.287 0.019 0.000 0.927 151 K CB -0.172 32.340 32.500 0.020 0.000 0.713 151 K HN 0.794 nan 8.250 nan 0.000 0.443 152 A N 0.978 123.807 122.820 0.016 0.000 1.933 152 A HA -0.128 4.192 4.320 0.000 0.000 0.218 152 A C 2.397 179.995 177.584 0.023 0.000 1.175 152 A CA 1.557 53.605 52.037 0.018 0.000 0.628 152 A CB -0.578 18.432 19.000 0.016 0.000 0.814 152 A HN 0.088 nan 8.150 nan 0.000 0.444 153 V N 0.287 120.214 119.914 0.022 0.000 2.302 153 V HA -0.155 3.966 4.120 0.000 0.000 0.243 153 V C 1.999 178.106 176.094 0.022 0.000 1.036 153 V CA 2.029 64.343 62.300 0.024 0.000 1.020 153 V CB -0.766 31.071 31.823 0.024 0.000 0.657 153 V HN 0.450 nan 8.190 nan 0.000 0.453 154 D N 0.446 120.860 120.400 0.022 0.000 2.264 154 D HA -0.097 4.543 4.640 0.000 0.000 0.208 154 D C 2.337 178.650 176.300 0.022 0.000 0.966 154 D CA 1.642 55.656 54.000 0.022 0.000 0.864 154 D CB -0.016 40.800 40.800 0.027 0.000 0.933 154 D HN 0.613 nan 8.370 nan 0.000 0.499 155 S N -0.962 114.753 115.700 0.023 0.000 2.468 155 S HA 0.108 4.578 4.470 0.000 0.000 0.226 155 S C 1.900 176.513 174.600 0.022 0.000 1.051 155 S CA -0.021 58.193 58.200 0.024 0.000 0.943 155 S CB -0.028 63.187 63.200 0.025 0.000 0.810 155 S HN 0.162 nan 8.310 nan 0.000 0.509 156 L N 0.845 122.082 121.223 0.024 0.000 2.500 156 L HA 0.391 4.731 4.340 0.000 0.000 0.219 156 L C 0.012 176.899 176.870 0.028 0.000 1.057 156 L CA 0.173 55.029 54.840 0.026 0.000 0.854 156 L CB 0.705 42.782 42.059 0.029 0.000 1.078 156 L HN 0.166 nan 8.230 nan 0.000 0.480 157 V N 0.904 120.835 119.914 0.028 0.000 2.592 157 V HA 0.240 4.360 4.120 0.000 0.000 0.278 157 V C -2.380 173.727 176.094 0.022 0.000 1.087 157 V CA -1.332 60.985 62.300 0.029 0.000 1.282 157 V CB -0.081 31.764 31.823 0.037 0.000 1.543 157 V HN 0.022 nan 8.190 nan 0.000 0.606 158 P HA 0.216 nan 4.420 nan 0.000 0.265 158 P C -0.357 176.946 177.300 0.005 0.000 1.193 158 P CA 0.482 63.588 63.100 0.010 0.000 0.765 158 P CB 1.309 33.013 31.700 0.007 0.000 0.823 159 I N 1.999 122.568 120.570 -0.001 0.000 2.412 159 I HA 0.490 4.660 4.170 0.000 0.000 0.296 159 I C 1.096 177.199 176.117 -0.023 0.000 0.987 159 I CA -0.536 60.760 61.300 -0.007 0.000 1.180 159 I CB 1.968 39.965 38.000 -0.005 0.000 1.340 159 I HN 0.315 nan 8.210 nan 0.000 0.455 160 G N 4.188 112.975 108.800 -0.022 0.000 2.441 160 G HA2 0.560 4.520 3.960 0.000 0.000 0.334 160 G HA3 0.560 4.520 3.960 0.000 0.000 0.334 160 G C -0.594 174.285 174.900 -0.035 0.000 1.161 160 G CA -0.803 44.276 45.100 -0.036 0.000 0.935 160 G HN 0.525 nan 8.290 nan 0.000 0.488 161 R N -0.116 120.351 120.500 -0.055 0.000 2.401 161 R HA 0.421 4.761 4.340 0.000 0.000 0.299 161 R C 1.215 177.525 176.300 0.017 0.000 1.064 161 R CA 1.387 57.467 56.100 -0.034 0.000 1.000 161 R CB 0.775 31.018 30.300 -0.095 0.000 0.973 161 R HN 1.073 nan 8.270 nan 0.000 0.438 162 G N 1.709 110.528 108.800 0.032 0.000 2.179 162 G HA2 -0.289 3.671 3.960 0.000 0.000 0.220 162 G HA3 -0.289 3.671 3.960 0.000 0.000 0.220 162 G C 0.058 174.971 174.900 0.022 0.000 0.990 162 G CA 0.158 45.280 45.100 0.037 0.000 0.646 162 G HN 0.611 nan 8.290 nan 0.000 0.517 163 Q N 0.028 119.835 119.800 0.013 0.000 2.256 163 Q HA 0.735 5.076 4.340 0.000 0.000 0.232 163 Q C -0.277 175.731 176.000 0.013 0.000 0.965 163 Q CA -0.693 55.117 55.803 0.011 0.000 0.908 163 Q CB 0.628 29.369 28.738 0.006 0.000 1.209 163 Q HN 0.240 nan 8.270 nan 0.000 0.489 164 R N 1.803 122.313 120.500 0.016 0.000 2.343 164 R HA 0.350 4.691 4.340 0.000 0.000 0.320 164 R C -1.419 174.891 176.300 0.016 0.000 0.956 164 R CA -0.544 55.567 56.100 0.019 0.000 0.836 164 R CB 1.609 31.921 30.300 0.021 0.000 1.151 164 R HN 0.599 nan 8.270 nan 0.000 0.450 165 E N 2.658 122.868 120.200 0.015 0.000 2.216 165 E HA 0.282 4.632 4.350 0.000 0.000 0.260 165 E C -1.384 175.228 176.600 0.020 0.000 0.880 165 E CA -0.931 55.481 56.400 0.019 0.000 0.765 165 E CB 0.946 30.657 29.700 0.018 0.000 1.174 165 E HN 0.380 nan 8.360 nan 0.000 0.417 166 L N 5.475 126.712 121.223 0.023 0.000 2.416 166 L HA 0.408 4.749 4.340 0.000 0.000 0.272 166 L C -0.887 176.008 176.870 0.041 0.000 1.161 166 L CA 0.320 55.173 54.840 0.022 0.000 0.845 166 L CB 0.409 42.479 42.059 0.018 0.000 1.119 166 L HN 0.645 nan 8.230 nan 0.000 0.464 167 I N 6.976 127.570 120.570 0.039 0.000 2.330 167 I HA 0.392 4.562 4.170 0.000 0.000 0.289 167 I C -0.339 175.821 176.117 0.072 0.000 1.001 167 I CA -0.213 61.120 61.300 0.055 0.000 1.193 167 I CB 1.214 39.239 38.000 0.041 0.000 1.345 167 I HN 0.567 nan 8.210 nan 0.000 0.461 168 I N 5.441 126.087 120.570 0.127 0.000 2.533 168 I HA 0.860 5.031 4.170 0.000 0.000 0.290 168 I C -0.361 175.916 176.117 0.266 0.000 1.056 168 I CA 0.029 61.436 61.300 0.179 0.000 1.057 168 I CB 1.926 40.030 38.000 0.174 0.000 1.240 168 I HN 0.713 nan 8.210 nan 0.000 0.423 169 G N 5.160 114.075 108.800 0.193 0.000 2.328 169 G HA2 0.166 4.126 3.960 0.000 0.000 0.295 169 G HA3 0.166 4.126 3.960 0.000 0.000 0.295 169 G C -1.896 173.051 174.900 0.078 0.000 1.413 169 G CA -0.795 44.389 45.100 0.141 0.000 0.817 169 G HN 0.485 nan 8.290 nan 0.000 0.546 170 D N 0.240 120.664 120.400 0.041 0.000 2.354 170 D HA 0.295 4.935 4.640 0.000 0.000 0.238 170 D C 1.281 177.563 176.300 -0.030 0.000 1.250 170 D CA 0.062 54.072 54.000 0.017 0.000 0.911 170 D CB 0.540 41.342 40.800 0.003 0.000 1.163 170 D HN 0.699 nan 8.370 nan 0.000 0.456 171 R N 0.253 120.738 120.500 -0.025 0.000 2.698 171 R HA -0.011 4.329 4.340 0.000 0.000 0.266 171 R C 0.038 176.268 176.300 -0.117 0.000 1.026 171 R CA -0.053 56.019 56.100 -0.048 0.000 1.102 171 R CB 0.023 30.310 30.300 -0.022 0.000 0.978 171 R HN 0.343 nan 8.270 nan 0.000 0.436 172 Q N -0.228 119.483 119.800 -0.149 0.000 2.475 172 Q HA -0.182 4.159 4.340 0.000 0.000 0.280 172 Q C 0.065 175.730 176.000 -0.557 0.000 1.234 172 Q CA 1.447 57.085 55.803 -0.274 0.000 0.873 172 Q CB -1.580 27.026 28.738 -0.219 0.000 1.256 172 Q HN 1.000 nan 8.270 nan 0.000 0.475 173 T N -4.702 109.602 114.554 -0.417 0.000 3.069 173 T HA 0.418 4.768 4.350 0.000 0.000 0.252 173 T C 1.134 175.661 174.700 -0.288 0.000 1.053 173 T CA 0.641 62.454 62.100 -0.480 0.000 0.964 173 T CB 1.053 69.786 68.868 -0.225 0.000 1.005 173 T HN 0.819 nan 8.240 nan 0.000 0.532 174 G N 1.562 110.243 108.800 -0.199 0.000 2.145 174 G HA2 -0.196 3.764 3.960 0.000 0.000 0.176 174 G HA3 -0.196 3.764 3.960 0.000 0.000 0.176 174 G C 0.595 175.495 174.900 -0.000 0.000 1.013 174 G CA 0.143 45.231 45.100 -0.019 0.000 0.689 174 G HN 0.482 nan 8.290 nan 0.000 0.506 175 K N -0.493 119.899 120.400 -0.013 0.000 2.005 175 K HA 0.010 4.330 4.320 0.000 0.000 0.206 175 K C 2.600 179.224 176.600 0.040 0.000 1.044 175 K CA 1.630 57.925 56.287 0.014 0.000 0.942 175 K CB -0.329 32.179 32.500 0.014 0.000 0.727 175 K HN 0.244 nan 8.250 nan 0.000 0.439 176 T N 1.393 115.980 114.554 0.054 0.000 2.665 176 T HA -0.158 4.192 4.350 0.000 0.000 0.268 176 T C 2.099 176.840 174.700 0.067 0.000 1.035 176 T CA 1.787 63.946 62.100 0.098 0.000 1.151 176 T CB -0.301 68.634 68.868 0.113 0.000 0.862 176 T HN 0.148 nan 8.240 nan 0.000 0.438 177 S N 0.987 116.706 115.700 0.031 0.000 2.387 177 S HA -0.089 4.381 4.470 0.000 0.000 0.230 177 S C 2.018 176.612 174.600 -0.010 0.000 1.035 177 S CA 0.836 59.031 58.200 -0.009 0.000 1.014 177 S CB -0.417 62.759 63.200 -0.039 0.000 0.836 177 S HN 0.344 nan 8.310 nan 0.000 0.466 178 I N 1.733 122.311 120.570 0.012 0.000 2.163 178 I HA -0.191 3.979 4.170 0.000 0.000 0.243 178 I C 2.714 178.850 176.117 0.032 0.000 1.085 178 I CA 1.468 62.779 61.300 0.017 0.000 1.347 178 I CB -1.603 36.412 38.000 0.026 0.000 1.044 178 I HN 0.271 nan 8.210 nan 0.000 0.408 179 A N 0.752 123.604 122.820 0.054 0.000 1.969 179 A HA -0.131 4.189 4.320 0.000 0.000 0.218 179 A C 2.169 179.798 177.584 0.074 0.000 1.169 179 A CA 1.098 53.182 52.037 0.079 0.000 0.635 179 A CB -0.417 18.662 19.000 0.131 0.000 0.810 179 A HN 0.280 nan 8.150 nan 0.000 0.445 180 I N 0.260 120.862 120.570 0.052 0.000 2.286 180 I HA -0.127 4.043 4.170 0.000 0.000 0.245 180 I C 1.544 177.695 176.117 0.057 0.000 1.104 180 I CA 1.341 62.660 61.300 0.032 0.000 1.397 180 I CB -1.519 36.498 38.000 0.028 0.000 1.072 180 I HN 0.214 nan 8.210 nan 0.000 0.417 181 D N 0.428 120.851 120.400 0.039 0.000 2.219 181 D HA -0.113 4.527 4.640 0.000 0.000 0.205 181 D C 2.159 178.489 176.300 0.051 0.000 0.970 181 D CA 1.068 55.090 54.000 0.038 0.000 0.851 181 D CB 0.066 40.859 40.800 -0.012 0.000 0.943 181 D HN 0.209 nan 8.370 nan 0.000 0.488 182 T N 0.126 114.711 114.554 0.052 0.000 2.770 182 T HA 0.008 4.358 4.350 0.000 0.000 0.263 182 T C 2.114 176.865 174.700 0.085 0.000 1.039 182 T CA 0.346 62.482 62.100 0.060 0.000 1.142 182 T CB -0.055 68.842 68.868 0.048 0.000 0.868 182 T HN 0.127 nan 8.240 nan 0.000 0.435 183 I N 0.859 121.487 120.570 0.097 0.000 2.127 183 I HA -0.187 3.983 4.170 0.000 0.000 0.241 183 I C 2.281 178.529 176.117 0.218 0.000 1.075 183 I CA 1.539 62.931 61.300 0.153 0.000 1.334 183 I CB -0.444 37.620 38.000 0.106 0.000 1.040 183 I HN 0.232 nan 8.210 nan 0.000 0.405 184 I N 0.750 121.405 120.570 0.141 0.000 2.208 184 I HA -0.332 3.838 4.170 0.000 0.000 0.245 184 I C 2.277 178.474 176.117 0.133 0.000 1.097 184 I CA 1.539 62.924 61.300 0.141 0.000 1.363 184 I CB -0.583 37.476 38.000 0.099 0.000 1.051 184 I HN 0.323 nan 8.210 nan 0.000 0.413 185 N N 0.666 119.418 118.700 0.086 0.000 2.258 185 N HA -0.233 4.507 4.740 0.000 0.000 0.187 185 N C 1.806 177.310 175.510 -0.009 0.000 1.012 185 N CA 1.309 54.379 53.050 0.033 0.000 0.870 185 N CB 0.021 38.543 38.487 0.058 0.000 0.977 185 N HN 0.267 nan 8.380 nan 0.000 0.434 186 Q N 0.316 120.138 119.800 0.037 0.000 2.291 186 Q HA -0.104 4.236 4.340 0.000 0.000 0.205 186 Q C 1.766 177.607 176.000 -0.265 0.000 0.970 186 Q CA 0.693 56.461 55.803 -0.058 0.000 0.876 186 Q CB -0.302 28.285 28.738 -0.253 0.000 0.935 186 Q HN 0.495 nan 8.270 nan 0.000 0.455 187 K N 1.717 122.041 120.400 -0.127 0.000 2.097 187 K HA -0.270 4.051 4.320 0.000 0.000 0.214 187 K C 2.060 178.546 176.600 -0.191 0.000 1.052 187 K CA 2.208 58.472 56.287 -0.040 0.000 0.932 187 K CB -0.090 32.471 32.500 0.103 0.000 0.716 187 K HN 0.297 nan 8.250 nan 0.000 0.455 188 R N -0.596 119.696 120.500 -0.348 0.000 2.127 188 R HA -0.166 4.174 4.340 0.000 0.000 0.238 188 R C 1.789 177.787 176.300 -0.504 0.000 1.134 188 R CA 2.041 57.849 56.100 -0.486 0.000 0.975 188 R CB -0.630 29.285 30.300 -0.642 0.000 0.865 188 R HN 0.266 nan 8.270 nan 0.000 0.447 189 F N 0.746 120.609 119.950 -0.146 0.000 2.374 189 F HA 0.219 4.747 4.527 0.001 0.000 0.291 189 F C 1.714 177.405 175.800 -0.182 0.000 1.084 189 F CA -0.074 57.834 58.000 -0.154 0.000 1.413 189 F CB -0.241 38.654 39.000 -0.176 0.000 1.099 189 F HN -0.062 nan 8.300 nan 0.000 0.534 190 N N 0.154 118.791 118.700 -0.105 0.000 2.459 190 N HA -0.114 4.626 4.740 0.000 0.000 0.181 190 N C 0.784 176.253 175.510 -0.069 0.000 1.046 190 N CA 0.932 53.865 53.050 -0.195 0.000 0.904 190 N CB -0.407 37.786 38.487 -0.490 0.000 0.964 190 N HN 0.182 nan 8.380 nan 0.000 0.444 191 D N -0.399 119.970 120.400 -0.051 0.000 2.340 191 D HA 0.100 4.740 4.640 0.000 0.000 0.220 191 D C 1.168 177.463 176.300 -0.009 0.000 1.039 191 D CA 0.126 54.117 54.000 -0.015 0.000 0.866 191 D CB -0.050 40.733 40.800 -0.027 0.000 0.913 191 D HN 0.166 nan 8.370 nan 0.000 0.523 192 G N -0.360 108.438 108.800 -0.004 0.000 2.509 192 G HA2 0.323 4.283 3.960 0.000 0.000 0.269 192 G HA3 0.323 4.283 3.960 0.000 0.000 0.269 192 G C 0.705 175.621 174.900 0.027 0.000 1.416 192 G CA 0.248 45.357 45.100 0.014 0.000 1.052 192 G HN 0.167 nan 8.290 nan 0.000 0.542 193 T N -3.046 111.529 114.554 0.034 0.000 3.209 193 T HA 0.175 4.525 4.350 0.000 0.000 0.295 193 T C -0.215 174.514 174.700 0.048 0.000 0.977 193 T CA -0.096 62.030 62.100 0.043 0.000 0.922 193 T CB 0.584 69.474 68.868 0.036 0.000 1.152 193 T HN 0.297 nan 8.240 nan 0.000 0.527 194 D N 2.364 122.791 120.400 0.046 0.000 2.522 194 D HA 0.209 4.850 4.640 0.000 0.000 0.218 194 D C 1.217 177.553 176.300 0.060 0.000 1.149 194 D CA -0.335 53.693 54.000 0.046 0.000 0.981 194 D CB 0.586 41.408 40.800 0.036 0.000 1.041 194 D HN 0.020 nan 8.370 nan 0.000 0.518 195 E N 1.925 122.175 120.200 0.084 0.000 2.339 195 E HA -0.203 4.147 4.350 0.000 0.000 0.201 195 E C 1.203 177.894 176.600 0.152 0.000 1.015 195 E CA 0.867 57.344 56.400 0.129 0.000 0.841 195 E CB 0.251 30.035 29.700 0.139 0.000 0.754 195 E HN 0.580 nan 8.360 nan 0.000 0.508 196 K N 0.007 120.475 120.400 0.114 0.000 2.228 196 K HA 0.013 4.333 4.320 0.000 0.000 0.202 196 K C 1.927 178.545 176.600 0.030 0.000 1.051 196 K CA 0.459 56.831 56.287 0.142 0.000 0.960 196 K CB 0.209 32.763 32.500 0.091 0.000 0.743 196 K HN -0.110 nan 8.250 nan 0.000 0.458 197 K N 1.169 121.548 120.400 -0.034 0.000 2.400 197 K HA 0.060 4.380 4.320 0.000 0.000 0.194 197 K C 0.284 176.761 176.600 -0.206 0.000 1.033 197 K CA 0.310 56.496 56.287 -0.168 0.000 1.021 197 K CB 0.347 32.789 32.500 -0.098 0.000 0.808 197 K HN 0.115 nan 8.250 nan 0.000 0.505 198 K N 1.010 121.358 120.400 -0.087 0.000 2.219 198 K HA 0.128 4.449 4.320 0.000 0.000 0.258 198 K C -0.339 176.116 176.600 -0.242 0.000 1.008 198 K CA -0.274 55.904 56.287 -0.181 0.000 0.928 198 K CB 0.586 32.953 32.500 -0.222 0.000 0.983 198 K HN -0.164 nan 8.250 nan 0.000 0.484 199 L N 2.689 123.667 121.223 -0.408 0.000 2.441 199 L HA 0.290 4.630 4.340 0.000 0.000 0.270 199 L C -1.726 174.869 176.870 -0.459 0.000 0.973 199 L CA -0.383 54.267 54.840 -0.316 0.000 0.842 199 L CB 0.893 42.825 42.059 -0.213 0.000 1.239 199 L HN 0.429 nan 8.230 nan 0.000 0.406 200 Y N 3.392 123.561 120.300 -0.217 0.000 2.313 200 Y HA 0.499 5.049 4.550 0.000 0.000 0.332 200 Y C 0.382 176.137 175.900 -0.242 0.000 1.071 200 Y CA -0.167 57.753 58.100 -0.301 0.000 1.169 200 Y CB 1.110 39.094 38.460 -0.794 0.000 1.192 200 Y HN 0.511 nan 8.280 nan 0.000 0.487 201 C N 4.798 124.144 119.300 0.078 0.000 2.376 201 C HA 0.712 5.173 4.460 0.000 0.000 0.335 201 C C -0.057 174.957 174.990 0.040 0.000 1.229 201 C CA -1.131 57.925 59.018 0.063 0.000 1.867 201 C CB 0.002 27.834 27.740 0.155 0.000 2.319 201 C HN 0.646 nan 8.230 nan 0.000 0.515 202 I N 2.090 122.663 120.570 0.006 0.000 2.466 202 I HA 0.293 4.463 4.170 0.000 0.000 0.289 202 I C -1.034 175.093 176.117 0.016 0.000 1.026 202 I CA -0.438 60.867 61.300 0.009 0.000 1.078 202 I CB 1.235 39.217 38.000 -0.030 0.000 1.249 202 I HN 0.627 nan 8.210 nan 0.000 0.429 203 Y N 6.913 127.172 120.300 -0.068 0.000 2.356 203 Y HA 0.601 5.151 4.550 0.001 0.000 0.334 203 Y C -0.851 175.013 175.900 -0.059 0.000 0.958 203 Y CA -0.767 57.289 58.100 -0.073 0.000 1.196 203 Y CB 1.176 39.611 38.460 -0.040 0.000 1.137 203 Y HN 0.262 nan 8.280 nan 0.000 0.485 204 V N 6.331 126.002 119.914 -0.406 0.000 2.364 204 V HA 0.600 4.720 4.120 0.000 0.000 0.272 204 V C 0.123 175.970 176.094 -0.411 0.000 1.036 204 V CA -0.619 61.522 62.300 -0.265 0.000 0.880 204 V CB 0.721 32.474 31.823 -0.116 0.000 0.991 204 V HN 0.908 nan 8.190 nan 0.000 0.460 205 A N 6.842 129.542 122.820 -0.200 0.000 2.252 205 A HA 0.815 5.136 4.320 0.000 0.000 0.309 205 A C -0.540 177.027 177.584 -0.029 0.000 1.285 205 A CA -0.289 51.691 52.037 -0.095 0.000 0.900 205 A CB -0.043 19.035 19.000 0.130 0.000 1.157 205 A HN 0.774 nan 8.150 nan 0.000 0.536 206 I N 2.528 123.079 120.570 -0.030 0.000 2.390 206 I HA 0.528 4.698 4.170 0.000 0.000 0.283 206 I C 1.129 177.267 176.117 0.036 0.000 1.016 206 I CA 0.536 61.842 61.300 0.009 0.000 1.151 206 I CB 1.585 39.584 38.000 -0.002 0.000 1.293 206 I HN 0.965 nan 8.210 nan 0.000 0.458 207 G N 3.667 112.498 108.800 0.052 0.000 2.205 207 G HA2 -0.232 3.728 3.960 0.000 0.000 0.261 207 G HA3 -0.232 3.728 3.960 0.000 0.000 0.261 207 G C 0.331 175.264 174.900 0.055 0.000 0.980 207 G CA -0.074 45.061 45.100 0.059 0.000 0.632 207 G HN 0.583 nan 8.290 nan 0.000 0.533 208 Q N 0.302 120.137 119.800 0.058 0.000 2.584 208 Q HA 0.475 4.815 4.340 0.000 0.000 0.218 208 Q C 0.139 176.174 176.000 0.057 0.000 1.079 208 Q CA -0.048 55.792 55.803 0.062 0.000 1.008 208 Q CB 0.609 29.398 28.738 0.084 0.000 1.267 208 Q HN 0.408 nan 8.270 nan 0.000 0.586 209 K N 0.787 121.219 120.400 0.053 0.000 2.350 209 K HA 0.045 4.365 4.320 0.000 0.000 0.279 209 K C 0.923 177.551 176.600 0.048 0.000 1.027 209 K CA -0.126 56.188 56.287 0.045 0.000 0.969 209 K CB 0.744 33.266 32.500 0.038 0.000 0.954 209 K HN 0.479 nan 8.250 nan 0.000 0.474 210 R N 1.662 122.187 120.500 0.042 0.000 2.091 210 R HA -0.199 4.141 4.340 0.000 0.000 0.238 210 R C 2.036 178.355 176.300 0.032 0.000 1.136 210 R CA 2.240 58.363 56.100 0.040 0.000 0.959 210 R CB -0.166 30.154 30.300 0.034 0.000 0.856 210 R HN 0.842 nan 8.270 nan 0.000 0.437 211 S N -0.933 114.783 115.700 0.027 0.000 2.400 211 S HA -0.142 4.329 4.470 0.000 0.000 0.232 211 S C 1.806 176.418 174.600 0.019 0.000 1.025 211 S CA 1.778 59.989 58.200 0.019 0.000 0.993 211 S CB -0.461 62.750 63.200 0.018 0.000 0.808 211 S HN 0.346 nan 8.310 nan 0.000 0.478 212 T N 2.033 116.604 114.554 0.029 0.000 2.777 212 T HA 0.029 4.380 4.350 0.000 0.000 0.266 212 T C 1.914 176.629 174.700 0.024 0.000 1.040 212 T CA 1.293 63.411 62.100 0.031 0.000 1.141 212 T CB -0.515 68.381 68.868 0.048 0.000 0.868 212 T HN 0.312 nan 8.240 nan 0.000 0.444 213 V N 1.999 121.938 119.914 0.042 0.000 2.237 213 V HA -0.168 3.953 4.120 0.000 0.000 0.245 213 V C 2.962 179.056 176.094 -0.001 0.000 1.046 213 V CA 1.724 64.049 62.300 0.041 0.000 1.007 213 V CB -1.424 30.446 31.823 0.079 0.000 0.638 213 V HN 0.515 nan 8.190 nan 0.000 0.445 214 A N -0.641 122.182 122.820 0.005 0.000 1.954 214 A HA -0.404 3.916 4.320 0.000 0.000 0.222 214 A C 2.145 179.714 177.584 -0.026 0.000 1.199 214 A CA 2.710 54.742 52.037 -0.009 0.000 0.657 214 A CB -0.685 18.315 19.000 -0.001 0.000 0.823 214 A HN 0.684 nan 8.150 nan 0.000 0.463 215 Q N -1.193 118.593 119.800 -0.023 0.000 2.230 215 Q HA 0.028 4.368 4.340 0.000 0.000 0.202 215 Q C 2.105 178.069 176.000 -0.060 0.000 0.963 215 Q CA 0.910 56.692 55.803 -0.035 0.000 0.866 215 Q CB -0.163 28.564 28.738 -0.019 0.000 0.931 215 Q HN 0.684 nan 8.270 nan 0.000 0.452 216 L N 0.740 121.920 121.223 -0.072 0.000 2.072 216 L HA -0.081 4.259 4.340 0.000 0.000 0.205 216 L C 2.270 179.057 176.870 -0.138 0.000 1.079 216 L CA 1.512 56.277 54.840 -0.126 0.000 0.752 216 L CB -0.608 41.328 42.059 -0.205 0.000 0.906 216 L HN 0.270 nan 8.230 nan 0.000 0.436 217 V N -1.125 118.723 119.914 -0.110 0.000 2.626 217 V HA -0.195 3.925 4.120 0.000 0.000 0.252 217 V C 2.597 178.635 176.094 -0.094 0.000 1.067 217 V CA 1.619 63.859 62.300 -0.101 0.000 1.081 217 V CB -0.691 31.092 31.823 -0.067 0.000 0.686 217 V HN 0.403 nan 8.190 nan 0.000 0.468 218 K N 0.864 121.214 120.400 -0.083 0.000 2.057 218 K HA -0.228 4.093 4.320 0.000 0.000 0.207 218 K C 2.420 178.956 176.600 -0.107 0.000 1.049 218 K CA 2.123 58.361 56.287 -0.083 0.000 0.931 218 K CB -0.281 32.177 32.500 -0.070 0.000 0.714 218 K HN 0.539 nan 8.250 nan 0.000 0.440 219 R N 0.951 121.376 120.500 -0.125 0.000 2.115 219 R HA 0.015 4.356 4.340 0.000 0.000 0.230 219 R C 2.264 178.475 176.300 -0.147 0.000 1.111 219 R CA 1.091 57.092 56.100 -0.165 0.000 0.976 219 R CB -0.430 29.762 30.300 -0.181 0.000 0.870 219 R HN 0.198 nan 8.270 nan 0.000 0.445 220 L N -0.567 120.575 121.223 -0.135 0.000 2.109 220 L HA -0.057 4.283 4.340 0.000 0.000 0.207 220 L C 2.093 178.875 176.870 -0.147 0.000 1.086 220 L CA 1.545 56.299 54.840 -0.144 0.000 0.760 220 L CB -0.560 41.399 42.059 -0.166 0.000 0.910 220 L HN 0.232 nan 8.230 nan 0.000 0.437 221 T N -0.658 113.821 114.554 -0.125 0.000 2.708 221 T HA -0.177 4.173 4.350 0.000 0.000 0.266 221 T C 1.427 176.070 174.700 -0.095 0.000 1.037 221 T CA 1.616 63.653 62.100 -0.106 0.000 1.146 221 T CB -0.224 68.593 68.868 -0.084 0.000 0.865 221 T HN 0.305 nan 8.240 nan 0.000 0.435 222 D N 1.496 121.837 120.400 -0.099 0.000 2.144 222 D HA -0.010 4.631 4.640 0.000 0.000 0.199 222 D C 2.067 178.313 176.300 -0.089 0.000 0.984 222 D CA 1.130 55.074 54.000 -0.094 0.000 0.834 222 D CB -0.397 40.335 40.800 -0.113 0.000 0.955 222 D HN 0.428 nan 8.370 nan 0.000 0.465 223 A N 0.275 123.036 122.820 -0.098 0.000 2.238 223 A HA -0.024 4.297 4.320 0.000 0.000 0.208 223 A C 0.546 178.093 177.584 -0.060 0.000 1.177 223 A CA 0.701 52.695 52.037 -0.071 0.000 0.804 223 A CB -0.146 18.820 19.000 -0.056 0.000 0.823 223 A HN 0.098 nan 8.150 nan 0.000 0.482 224 D N -2.882 117.468 120.400 -0.085 0.000 2.772 224 D HA -0.210 4.430 4.640 0.000 0.000 0.233 224 D C 0.735 176.941 176.300 -0.157 0.000 1.143 224 D CA 1.040 54.986 54.000 -0.090 0.000 0.700 224 D CB -1.243 39.534 40.800 -0.038 0.000 1.076 224 D HN 0.512 nan 8.370 nan 0.000 0.430 225 A N -0.772 121.881 122.820 -0.278 0.000 2.197 225 A HA 0.170 4.490 4.320 0.000 0.000 0.210 225 A C 1.909 178.952 177.584 -0.902 0.000 1.180 225 A CA 0.886 52.506 52.037 -0.694 0.000 0.846 225 A CB -0.076 18.720 19.000 -0.339 0.000 0.884 225 A HN 0.311 nan 8.150 nan 0.000 0.487 226 M N 1.351 120.688 119.600 -0.437 0.000 2.279 226 M HA -0.136 4.344 4.480 0.000 0.000 0.264 226 M C 2.002 178.146 176.300 -0.259 0.000 1.062 226 M CA 1.926 57.046 55.300 -0.300 0.000 1.099 226 M CB -0.448 32.051 32.600 -0.168 0.000 1.394 226 M HN 0.512 nan 8.290 nan 0.000 0.426 227 K N -0.348 119.903 120.400 -0.250 0.000 2.209 227 K HA -0.188 4.133 4.320 0.000 0.000 0.204 227 K C 0.716 177.349 176.600 0.055 0.000 1.048 227 K CA 1.717 57.964 56.287 -0.066 0.000 0.940 227 K CB -0.853 31.651 32.500 0.006 0.000 0.729 227 K HN 0.611 nan 8.250 nan 0.000 0.451 228 Y N 0.256 120.597 120.300 0.069 0.000 2.681 228 Y HA 0.466 5.016 4.550 0.000 0.000 0.267 228 Y C -0.535 175.420 175.900 0.093 0.000 1.166 228 Y CA -1.046 57.125 58.100 0.117 0.000 1.209 228 Y CB -0.004 38.467 38.460 0.019 0.000 1.161 228 Y HN -0.222 nan 8.280 nan 0.000 0.534 229 T N 2.639 117.218 114.554 0.041 0.000 2.861 229 T HA 0.594 4.945 4.350 0.000 0.000 0.287 229 T C -0.480 174.250 174.700 0.050 0.000 1.003 229 T CA -0.491 61.635 62.100 0.043 0.000 0.977 229 T CB 1.767 70.591 68.868 -0.074 0.000 0.996 229 T HN 0.165 nan 8.240 nan 0.000 0.448 230 I N 2.162 122.775 120.570 0.071 0.000 2.392 230 I HA 0.532 4.703 4.170 0.000 0.000 0.295 230 I C -0.483 175.676 176.117 0.070 0.000 0.985 230 I CA -1.131 60.208 61.300 0.064 0.000 1.221 230 I CB 1.698 39.745 38.000 0.078 0.000 1.366 230 I HN 0.209 nan 8.210 nan 0.000 0.467 231 V N 6.823 126.776 119.914 0.065 0.000 2.357 231 V HA 0.327 4.448 4.120 0.000 0.000 0.284 231 V C -0.078 176.060 176.094 0.073 0.000 1.018 231 V CA -0.617 61.745 62.300 0.102 0.000 0.841 231 V CB 1.836 33.713 31.823 0.090 0.000 0.991 231 V HN 0.420 nan 8.190 nan 0.000 0.437 232 V N 3.974 123.927 119.914 0.065 0.000 2.398 232 V HA 0.573 4.693 4.120 0.000 0.000 0.286 232 V C 0.153 176.270 176.094 0.039 0.000 1.026 232 V CA -0.206 62.114 62.300 0.034 0.000 0.868 232 V CB 1.708 33.537 31.823 0.010 0.000 0.982 232 V HN 0.807 nan 8.190 nan 0.000 0.443 233 S N 3.471 119.195 115.700 0.040 0.000 2.647 233 S HA 0.806 5.277 4.470 0.000 0.000 0.300 233 S C -0.438 174.189 174.600 0.044 0.000 1.129 233 S CA -0.134 58.097 58.200 0.052 0.000 1.029 233 S CB 1.189 64.426 63.200 0.062 0.000 1.007 233 S HN 1.147 nan 8.310 nan 0.000 0.484 234 A N 3.963 126.810 122.820 0.045 0.000 2.522 234 A HA 0.644 4.964 4.320 0.000 0.000 0.285 234 A C 0.149 177.768 177.584 0.059 0.000 1.198 234 A CA -0.649 51.421 52.037 0.055 0.000 0.742 234 A CB 0.480 19.518 19.000 0.063 0.000 1.176 234 A HN 0.782 nan 8.150 nan 0.000 0.444 235 T N -1.041 113.548 114.554 0.059 0.000 2.880 235 T HA 0.630 4.980 4.350 0.000 0.000 0.279 235 T C 1.594 176.328 174.700 0.057 0.000 0.990 235 T CA 0.049 62.184 62.100 0.058 0.000 0.938 235 T CB 1.117 70.018 68.868 0.055 0.000 1.206 235 T HN 1.286 nan 8.240 nan 0.000 0.573 236 A N 0.732 123.583 122.820 0.053 0.000 2.042 236 A HA -0.113 4.208 4.320 0.000 0.000 0.222 236 A C 2.408 180.020 177.584 0.047 0.000 1.167 236 A CA 2.367 54.433 52.037 0.050 0.000 0.649 236 A CB -1.417 17.609 19.000 0.043 0.000 0.809 236 A HN 1.134 nan 8.150 nan 0.000 0.457 237 S N -0.952 114.775 115.700 0.044 0.000 2.535 237 S HA 0.082 4.552 4.470 0.000 0.000 0.214 237 S C 0.067 174.695 174.600 0.045 0.000 0.980 237 S CA -0.232 57.992 58.200 0.040 0.000 0.907 237 S CB -0.151 63.069 63.200 0.033 0.000 0.790 237 S HN 0.419 nan 8.310 nan 0.000 0.510 238 D N 2.834 123.267 120.400 0.056 0.000 2.372 238 D HA 0.461 5.101 4.640 0.000 0.000 0.243 238 D C 0.382 176.728 176.300 0.076 0.000 1.121 238 D CA 0.280 54.321 54.000 0.068 0.000 0.898 238 D CB 1.276 42.122 40.800 0.077 0.000 1.202 238 D HN 0.452 nan 8.370 nan 0.000 0.428 239 A N 1.447 124.316 122.820 0.083 0.000 2.531 239 A HA 0.313 4.633 4.320 0.000 0.000 0.236 239 A C 1.453 179.107 177.584 0.117 0.000 1.062 239 A CA 0.401 52.487 52.037 0.082 0.000 0.760 239 A CB 0.288 19.332 19.000 0.073 0.000 0.995 239 A HN 0.644 nan 8.150 nan 0.000 0.501 240 A N 3.504 126.383 122.820 0.099 0.000 1.915 240 A HA -0.137 4.184 4.320 0.000 0.000 0.220 240 A C -0.106 177.606 177.584 0.214 0.000 1.198 240 A CA 2.310 54.426 52.037 0.131 0.000 0.647 240 A CB -1.841 17.209 19.000 0.084 0.000 0.825 240 A HN 0.655 nan 8.150 nan 0.000 0.456 241 P HA -0.124 nan 4.420 nan 0.000 0.218 241 P C 1.337 178.984 177.300 0.580 0.000 1.148 241 P CA 0.906 64.234 63.100 0.380 0.000 0.822 241 P CB -0.120 31.704 31.700 0.207 0.000 0.784 242 L N -1.152 120.312 121.223 0.400 0.000 2.109 242 L HA -0.139 4.201 4.340 0.000 0.000 0.207 242 L C 2.641 179.632 176.870 0.202 0.000 1.086 242 L CA 1.326 56.336 54.840 0.283 0.000 0.760 242 L CB -0.893 41.284 42.059 0.195 0.000 0.910 242 L HN -0.021 nan 8.230 nan 0.000 0.437 243 Q N -0.767 119.158 119.800 0.207 0.000 2.084 243 Q HA -0.269 4.071 4.340 0.000 0.000 0.202 243 Q C 2.157 178.280 176.000 0.205 0.000 0.978 243 Q CA 2.138 58.042 55.803 0.167 0.000 0.844 243 Q CB -0.404 28.429 28.738 0.158 0.000 0.898 243 Q HN 0.538 nan 8.270 nan 0.000 0.426 244 Y N 1.253 121.652 120.300 0.166 0.000 2.181 244 Y HA -0.244 4.306 4.550 0.000 0.000 0.288 244 Y C 1.971 178.007 175.900 0.226 0.000 1.146 244 Y CA 1.337 59.556 58.100 0.198 0.000 1.164 244 Y CB -0.246 38.379 38.460 0.276 0.000 0.982 244 Y HN 0.110 nan 8.280 nan 0.000 0.515 245 L N 0.939 122.197 121.223 0.058 0.000 2.179 245 L HA 0.114 4.454 4.340 0.000 0.000 0.208 245 L C 2.481 179.317 176.870 -0.056 0.000 1.096 245 L CA 1.780 56.567 54.840 -0.088 0.000 0.779 245 L CB -1.244 40.765 42.059 -0.084 0.000 0.922 245 L HN 0.282 nan 8.230 nan 0.000 0.443 246 A N 0.576 123.369 122.820 -0.046 0.000 1.903 246 A HA -0.187 4.133 4.320 0.000 0.000 0.219 246 A C 0.084 177.614 177.584 -0.090 0.000 1.191 246 A CA 2.326 54.332 52.037 -0.052 0.000 0.638 246 A CB -2.152 16.837 19.000 -0.018 0.000 0.823 246 A HN 0.463 nan 8.150 nan 0.000 0.451 247 P HA -0.139 nan 4.420 nan 0.000 0.216 247 P C 0.928 178.058 177.300 -0.284 0.000 1.153 247 P CA 1.273 64.206 63.100 -0.278 0.000 0.848 247 P CB -0.214 31.014 31.700 -0.786 0.000 0.787 248 Y N -0.482 119.721 120.300 -0.163 0.000 2.200 248 Y HA -0.134 4.416 4.550 0.000 0.000 0.290 248 Y C 2.660 178.511 175.900 -0.081 0.000 1.137 248 Y CA 1.216 59.225 58.100 -0.151 0.000 1.163 248 Y CB -1.214 37.098 38.460 -0.247 0.000 0.988 248 Y HN -0.097 nan 8.280 nan 0.000 0.518 249 S N 0.031 115.761 115.700 0.049 0.000 2.353 249 S HA -0.210 4.260 4.470 0.000 0.000 0.222 249 S C 2.393 177.011 174.600 0.029 0.000 1.035 249 S CA 1.372 59.579 58.200 0.011 0.000 1.025 249 S CB -1.080 62.101 63.200 -0.032 0.000 0.902 249 S HN 0.676 nan 8.310 nan 0.000 0.440 250 G N 0.047 108.867 108.800 0.033 0.000 2.418 250 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 250 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 250 G C 1.735 176.677 174.900 0.070 0.000 1.158 250 G CA 1.034 46.158 45.100 0.041 0.000 0.771 250 G HN 0.582 nan 8.290 nan 0.000 0.545 251 C N 0.526 119.893 119.300 0.112 0.000 2.413 251 C HA -0.087 4.373 4.460 0.000 0.000 0.278 251 C C 3.254 178.310 174.990 0.110 0.000 1.224 251 C CA 1.861 60.956 59.018 0.129 0.000 1.732 251 C CB -1.041 26.783 27.740 0.140 0.000 2.050 251 C HN 0.389 nan 8.230 nan 0.000 0.463 252 S N 0.517 116.274 115.700 0.094 0.000 2.378 252 S HA -0.314 4.156 4.470 0.000 0.000 0.229 252 S C 1.694 176.360 174.600 0.110 0.000 1.052 252 S CA 2.498 60.749 58.200 0.085 0.000 1.084 252 S CB -0.510 62.723 63.200 0.056 0.000 0.950 252 S HN 0.692 nan 8.310 nan 0.000 0.440 253 M N 0.563 120.227 119.600 0.106 0.000 2.202 253 M HA -0.082 4.398 4.480 0.000 0.000 0.262 253 M C 2.349 178.833 176.300 0.307 0.000 1.063 253 M CA 1.467 56.856 55.300 0.149 0.000 1.097 253 M CB -0.691 31.979 32.600 0.116 0.000 1.382 253 M HN 0.457 nan 8.290 nan 0.000 0.413 254 G N -0.036 108.913 108.800 0.248 0.000 2.408 254 G HA2 -0.116 3.844 3.960 0.000 0.000 0.215 254 G HA3 -0.116 3.844 3.960 0.000 0.000 0.215 254 G C 1.328 176.414 174.900 0.311 0.000 1.156 254 G CA 0.240 45.518 45.100 0.296 0.000 0.793 254 G HN 0.477 nan 8.290 nan 0.000 0.535 255 E N -0.407 119.913 120.200 0.200 0.000 2.153 255 E HA -0.178 4.172 4.350 0.000 0.000 0.194 255 E C 1.914 178.582 176.600 0.113 0.000 0.988 255 E CA 0.764 57.245 56.400 0.134 0.000 0.811 255 E CB -0.270 29.485 29.700 0.092 0.000 0.746 255 E HN 0.600 nan 8.360 nan 0.000 0.466 256 Y N 0.875 121.177 120.300 0.003 0.000 2.069 256 Y HA -0.338 4.212 4.550 0.001 0.000 0.278 256 Y C 1.826 177.604 175.900 -0.203 0.000 1.175 256 Y CA 1.907 59.915 58.100 -0.153 0.000 1.134 256 Y CB -0.428 37.850 38.460 -0.303 0.000 0.965 256 Y HN -0.067 nan 8.280 nan 0.000 0.498 257 F N 0.146 120.119 119.950 0.038 0.000 2.113 257 F HA -0.131 4.396 4.527 0.000 0.000 0.297 257 F C 2.791 178.505 175.800 -0.144 0.000 1.103 257 F CA 1.876 59.824 58.000 -0.087 0.000 1.248 257 F CB -0.879 38.142 39.000 0.035 0.000 0.999 257 F HN -0.073 nan 8.300 nan 0.000 0.475 258 R N 0.554 121.131 120.500 0.128 0.000 2.117 258 R HA -0.194 4.147 4.340 0.000 0.000 0.243 258 R C 1.080 177.355 176.300 -0.040 0.000 1.143 258 R CA 2.080 58.196 56.100 0.027 0.000 0.968 258 R CB -0.418 29.915 30.300 0.054 0.000 0.863 258 R HN 0.192 nan 8.270 nan 0.000 0.444 259 D N -0.323 120.031 120.400 -0.077 0.000 2.349 259 D HA 0.013 4.653 4.640 0.000 0.000 0.215 259 D C 0.024 176.231 176.300 -0.155 0.000 1.016 259 D CA 0.462 54.409 54.000 -0.088 0.000 0.870 259 D CB 0.193 40.950 40.800 -0.073 0.000 0.917 259 D HN 0.175 nan 8.370 nan 0.000 0.524 260 N N -0.221 118.335 118.700 -0.240 0.000 2.480 260 N HA 0.181 4.921 4.740 0.000 0.000 0.281 260 N C 0.811 176.215 175.510 -0.176 0.000 1.381 260 N CA 0.037 52.928 53.050 -0.265 0.000 0.903 260 N CB 1.258 39.449 38.487 -0.494 0.000 1.274 260 N HN 0.036 nan 8.380 nan 0.000 0.505 261 G N 0.939 109.658 108.800 -0.135 0.000 2.187 261 G HA2 -0.319 3.641 3.960 0.000 0.000 0.261 261 G HA3 -0.319 3.641 3.960 0.000 0.000 0.261 261 G C 0.151 174.941 174.900 -0.182 0.000 1.000 261 G CA 0.623 45.645 45.100 -0.129 0.000 0.718 261 G HN 0.324 nan 8.290 nan 0.000 0.519 262 K N -0.286 120.011 120.400 -0.172 0.000 2.185 262 K HA 0.582 4.903 4.320 0.000 0.000 0.240 262 K C -0.489 175.966 176.600 -0.243 0.000 0.983 262 K CA -0.937 55.306 56.287 -0.074 0.000 0.873 262 K CB 1.107 33.744 32.500 0.228 0.000 1.118 262 K HN 0.328 nan 8.250 nan 0.000 0.441 263 H N 0.062 119.263 119.070 0.219 0.000 2.587 263 H HA 0.425 4.981 4.556 0.000 0.000 0.325 263 H C -0.746 174.635 175.328 0.089 0.000 1.012 263 H CA -0.561 55.555 56.048 0.112 0.000 1.213 263 H CB 1.732 31.504 29.762 0.017 0.000 1.431 263 H HN 0.674 nan 8.280 nan 0.000 0.492 264 A N 3.172 126.063 122.820 0.118 0.000 2.322 264 A HA 0.634 4.954 4.320 0.000 0.000 0.327 264 A C -1.038 176.540 177.584 -0.010 0.000 1.134 264 A CA -0.719 51.300 52.037 -0.029 0.000 0.831 264 A CB 1.652 20.583 19.000 -0.115 0.000 1.288 264 A HN 0.492 nan 8.150 nan 0.000 0.472 265 L N 0.962 122.155 121.223 -0.049 0.000 2.409 265 L HA 0.769 5.109 4.340 0.000 0.000 0.272 265 L C -1.242 175.575 176.870 -0.088 0.000 0.980 265 L CA -0.284 54.525 54.840 -0.051 0.000 0.826 265 L CB 1.392 43.430 42.059 -0.035 0.000 1.268 265 L HN 0.707 nan 8.230 nan 0.000 0.407 266 I N 5.276 125.753 120.570 -0.154 0.000 2.509 266 I HA 0.580 4.750 4.170 0.000 0.000 0.293 266 I C -1.216 174.636 176.117 -0.442 0.000 1.020 266 I CA -0.692 60.423 61.300 -0.309 0.000 1.088 266 I CB 1.626 39.383 38.000 -0.405 0.000 1.267 266 I HN 0.671 nan 8.210 nan 0.000 0.430 267 I N 7.307 127.601 120.570 -0.459 0.000 2.406 267 I HA 0.276 4.447 4.170 0.000 0.000 0.290 267 I C -1.348 174.402 176.117 -0.611 0.000 0.999 267 I CA -0.418 60.633 61.300 -0.415 0.000 1.124 267 I CB 1.478 39.393 38.000 -0.142 0.000 1.289 267 I HN 0.416 nan 8.210 nan 0.000 0.441 268 Y N 4.081 124.245 120.300 -0.226 0.000 2.491 268 Y HA 0.329 4.879 4.550 0.000 0.000 0.334 268 Y C -0.143 175.601 175.900 -0.260 0.000 0.969 268 Y CA -0.692 57.247 58.100 -0.269 0.000 1.241 268 Y CB 0.792 39.099 38.460 -0.255 0.000 1.105 268 Y HN 0.411 nan 8.280 nan 0.000 0.503 269 D N 3.835 124.100 120.400 -0.225 0.000 2.458 269 D HA 0.181 4.821 4.640 0.000 0.000 0.258 269 D C -1.299 174.937 176.300 -0.107 0.000 1.134 269 D CA -0.394 53.497 54.000 -0.182 0.000 0.915 269 D CB 0.306 40.931 40.800 -0.292 0.000 1.028 269 D HN 0.710 nan 8.370 nan 0.000 0.508 270 D N 0.210 120.585 120.400 -0.043 0.000 2.552 270 D HA 0.232 4.873 4.640 0.000 0.000 0.239 270 D C 0.792 177.065 176.300 -0.046 0.000 1.139 270 D CA -0.748 53.231 54.000 -0.036 0.000 0.914 270 D CB 1.183 41.977 40.800 -0.010 0.000 1.461 270 D HN 0.049 nan 8.370 nan 0.000 0.462 271 L N 0.418 121.578 121.223 -0.104 0.000 2.395 271 L HA -0.031 4.310 4.340 0.000 0.000 0.218 271 L C 1.751 178.603 176.870 -0.031 0.000 1.130 271 L CA 0.545 55.263 54.840 -0.203 0.000 0.826 271 L CB -0.366 41.349 42.059 -0.573 0.000 0.941 271 L HN 0.464 nan 8.230 nan 0.000 0.451 272 S N 0.138 115.844 115.700 0.010 0.000 2.368 272 S HA -0.160 4.311 4.470 0.000 0.000 0.225 272 S C 1.920 176.596 174.600 0.127 0.000 1.030 272 S CA 1.232 59.483 58.200 0.085 0.000 0.999 272 S CB -0.038 63.206 63.200 0.072 0.000 0.844 272 S HN 0.403 nan 8.310 nan 0.000 0.459 273 K N 0.967 121.422 120.400 0.092 0.000 2.155 273 K HA -0.032 4.289 4.320 0.000 0.000 0.203 273 K C 2.432 179.112 176.600 0.134 0.000 1.052 273 K CA 0.678 57.027 56.287 0.104 0.000 0.948 273 K CB -0.150 32.394 32.500 0.072 0.000 0.728 273 K HN 0.327 nan 8.250 nan 0.000 0.448 274 Q N 0.846 120.720 119.800 0.124 0.000 2.050 274 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 274 Q C 2.092 178.245 176.000 0.255 0.000 0.980 274 Q CA 1.657 57.559 55.803 0.164 0.000 0.840 274 Q CB -0.089 28.701 28.738 0.086 0.000 0.898 274 Q HN 0.311 nan 8.270 nan 0.000 0.424 275 A N 0.042 123.025 122.820 0.270 0.000 1.908 275 A HA -0.145 4.175 4.320 0.000 0.000 0.218 275 A C 2.258 180.085 177.584 0.405 0.000 1.181 275 A CA 1.581 53.788 52.037 0.284 0.000 0.627 275 A CB -0.795 18.282 19.000 0.129 0.000 0.818 275 A HN 0.299 nan 8.150 nan 0.000 0.445 276 V N -0.171 119.943 119.914 0.333 0.000 2.343 276 V HA -0.276 3.844 4.120 0.000 0.000 0.247 276 V C 3.062 179.264 176.094 0.181 0.000 1.051 276 V CA 1.958 64.404 62.300 0.244 0.000 1.036 276 V CB -1.193 30.732 31.823 0.170 0.000 0.654 276 V HN 0.641 nan 8.190 nan 0.000 0.451 277 A N -0.967 121.975 122.820 0.202 0.000 1.883 277 A HA -0.300 4.020 4.320 0.000 0.000 0.217 277 A C 2.177 179.889 177.584 0.214 0.000 1.186 277 A CA 2.293 54.447 52.037 0.195 0.000 0.624 277 A CB -0.824 18.315 19.000 0.232 0.000 0.822 277 A HN 0.610 nan 8.150 nan 0.000 0.444 278 Y N 0.273 120.655 120.300 0.136 0.000 2.200 278 Y HA -0.159 4.392 4.550 0.000 0.000 0.290 278 Y C 2.536 178.469 175.900 0.056 0.000 1.137 278 Y CA 1.892 60.041 58.100 0.080 0.000 1.163 278 Y CB -0.404 38.143 38.460 0.145 0.000 0.988 278 Y HN 0.356 nan 8.280 nan 0.000 0.518 279 R N 0.209 120.755 120.500 0.075 0.000 2.081 279 R HA -0.234 4.106 4.340 0.000 0.000 0.235 279 R C 2.445 178.679 176.300 -0.110 0.000 1.131 279 R CA 1.816 57.888 56.100 -0.048 0.000 0.960 279 R CB -0.419 29.849 30.300 -0.055 0.000 0.856 279 R HN 0.537 nan 8.270 nan 0.000 0.436 280 Q N 0.376 120.146 119.800 -0.050 0.000 2.045 280 Q HA -0.251 4.090 4.340 0.000 0.000 0.206 280 Q C 2.062 178.000 176.000 -0.103 0.000 0.991 280 Q CA 2.490 58.257 55.803 -0.059 0.000 0.851 280 Q CB -0.125 28.605 28.738 -0.013 0.000 0.911 280 Q HN 0.430 nan 8.270 nan 0.000 0.418 281 M N -0.099 119.421 119.600 -0.134 0.000 2.117 281 M HA -0.154 4.327 4.480 0.000 0.000 0.262 281 M C 2.338 178.487 176.300 -0.251 0.000 1.065 281 M CA 1.687 56.873 55.300 -0.188 0.000 1.114 281 M CB -0.045 32.421 32.600 -0.223 0.000 1.361 281 M HN 0.121 nan 8.290 nan 0.000 0.408 282 S N 0.778 116.254 115.700 -0.374 0.000 2.383 282 S HA -0.039 4.431 4.470 0.000 0.000 0.227 282 S C 1.894 176.383 174.600 -0.185 0.000 1.026 282 S CA 1.091 59.087 58.200 -0.340 0.000 0.981 282 S CB -0.419 62.518 63.200 -0.438 0.000 0.818 282 S HN 0.382 nan 8.310 nan 0.000 0.472 283 L N 0.937 122.069 121.223 -0.153 0.000 2.109 283 L HA 0.008 4.348 4.340 0.000 0.000 0.207 283 L C 2.153 178.970 176.870 -0.087 0.000 1.086 283 L CA 0.814 55.592 54.840 -0.104 0.000 0.760 283 L CB -0.546 41.456 42.059 -0.095 0.000 0.910 283 L HN 0.267 nan 8.230 nan 0.000 0.437 284 L N -0.436 120.731 121.223 -0.093 0.000 2.131 284 L HA -0.215 4.125 4.340 0.000 0.000 0.210 284 L C 2.188 179.014 176.870 -0.075 0.000 1.092 284 L CA 1.058 55.852 54.840 -0.076 0.000 0.759 284 L CB -0.386 41.629 42.059 -0.074 0.000 0.903 284 L HN 0.285 nan 8.230 nan 0.000 0.435 285 L N -0.271 120.897 121.223 -0.093 0.000 2.610 285 L HA -0.001 4.339 4.340 0.000 0.000 0.232 285 L C 0.715 177.549 176.870 -0.061 0.000 1.149 285 L CA 0.183 54.977 54.840 -0.077 0.000 0.872 285 L CB -0.330 41.673 42.059 -0.092 0.000 0.992 285 L HN 0.276 nan 8.230 nan 0.000 0.447 286 R N -0.180 120.284 120.500 -0.060 0.000 3.641 286 R HA -0.149 4.191 4.340 0.000 0.000 0.286 286 R C -0.300 175.975 176.300 -0.041 0.000 1.153 286 R CA 0.276 56.349 56.100 -0.046 0.000 0.775 286 R CB -1.727 28.552 30.300 -0.034 0.000 1.215 286 R HN 0.301 nan 8.270 nan 0.000 0.474 287 R N 1.441 121.909 120.500 -0.053 0.000 2.539 287 R HA 0.195 4.535 4.340 0.000 0.000 0.275 287 R C -1.888 174.396 176.300 -0.028 0.000 1.077 287 R CA -1.860 54.217 56.100 -0.038 0.000 1.097 287 R CB 0.016 30.283 30.300 -0.054 0.000 1.018 287 R HN -0.003 nan 8.270 nan 0.000 0.483 288 P HA 0.126 nan 4.420 nan 0.000 0.266 288 P C -2.381 174.921 177.300 0.004 0.000 1.215 288 P CA -1.166 61.932 63.100 -0.004 0.000 0.763 288 P CB -0.179 31.523 31.700 0.004 0.000 0.806 289 P HA 0.240 nan 4.420 nan 0.000 0.275 289 P C 0.497 177.805 177.300 0.013 0.000 1.227 289 P CA 0.162 63.262 63.100 0.001 0.000 0.781 289 P CB 0.982 32.666 31.700 -0.027 0.000 0.906 290 G N 2.015 110.841 108.800 0.043 0.000 3.356 290 G HA2 0.298 4.258 3.960 0.000 0.000 0.178 290 G HA3 0.298 4.258 3.960 0.000 0.000 0.178 290 G C -0.574 174.320 174.900 -0.009 0.000 1.175 290 G CA -0.692 44.416 45.100 0.014 0.000 0.840 290 G HN 0.467 nan 8.290 nan 0.000 0.658 291 R N 0.888 121.327 120.500 -0.101 0.000 2.484 291 R HA 0.182 4.522 4.340 0.000 0.000 0.293 291 R C 0.008 176.372 176.300 0.106 0.000 1.023 291 R CA 0.728 56.732 56.100 -0.160 0.000 1.037 291 R CB -0.229 29.680 30.300 -0.653 0.000 0.951 291 R HN 0.673 nan 8.270 nan 0.000 0.418 292 E N 2.724 122.979 120.200 0.091 0.000 2.722 292 E HA -0.338 4.012 4.350 0.000 0.000 0.265 292 E C 0.249 176.801 176.600 -0.080 0.000 1.081 292 E CA 0.470 56.933 56.400 0.105 0.000 0.781 292 E CB -1.152 28.750 29.700 0.336 0.000 1.372 292 E HN 0.908 nan 8.360 nan 0.000 0.423 293 A N -2.166 120.626 122.820 -0.048 0.000 3.153 293 A HA -0.311 4.009 4.320 0.000 0.000 0.265 293 A C 0.118 177.630 177.584 -0.120 0.000 1.212 293 A CA 1.741 53.717 52.037 -0.103 0.000 1.018 293 A CB -2.189 16.722 19.000 -0.148 0.000 1.130 293 A HN 0.459 nan 8.150 nan 0.000 0.873 294 Y N 0.925 121.291 120.300 0.109 0.000 2.411 294 Y HA 0.392 4.943 4.550 0.000 0.000 0.333 294 Y C -1.144 174.837 175.900 0.135 0.000 1.186 294 Y CA -0.974 57.219 58.100 0.155 0.000 1.381 294 Y CB 0.364 39.010 38.460 0.311 0.000 1.273 294 Y HN 0.272 nan 8.280 nan 0.000 0.546 295 P HA -0.004 nan 4.420 nan 0.000 0.272 295 P C 0.593 178.044 177.300 0.252 0.000 1.230 295 P CA 0.006 63.211 63.100 0.175 0.000 0.788 295 P CB 0.888 32.636 31.700 0.079 0.000 0.949 296 G N 1.395 110.310 108.800 0.193 0.000 2.501 296 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 296 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 296 G C 0.757 175.810 174.900 0.254 0.000 1.114 296 G CA 0.607 45.830 45.100 0.206 0.000 0.757 296 G HN 0.661 nan 8.290 nan 0.000 0.559 297 D N 0.029 120.599 120.400 0.283 0.000 2.388 297 D HA 0.081 4.721 4.640 0.000 0.000 0.221 297 D C 1.796 178.282 176.300 0.310 0.000 1.133 297 D CA -0.322 53.878 54.000 0.334 0.000 0.831 297 D CB 0.090 41.110 40.800 0.367 0.000 0.962 297 D HN 0.107 nan 8.370 nan 0.000 0.502 298 V N 0.096 120.170 119.914 0.268 0.000 2.626 298 V HA -0.133 3.987 4.120 0.000 0.000 0.252 298 V C 1.778 177.797 176.094 -0.125 0.000 1.067 298 V CA 1.201 63.544 62.300 0.072 0.000 1.081 298 V CB -0.808 31.031 31.823 0.026 0.000 0.686 298 V HN 0.239 nan 8.190 nan 0.000 0.468 299 F N -0.047 119.857 119.950 -0.077 0.000 2.163 299 F HA -0.162 4.365 4.527 0.000 0.000 0.297 299 F C 2.131 177.947 175.800 0.028 0.000 1.094 299 F CA 2.155 60.112 58.000 -0.072 0.000 1.290 299 F CB -0.669 38.334 39.000 0.004 0.000 1.017 299 F HN 0.329 nan 8.300 nan 0.000 0.483 300 Y N 0.898 121.094 120.300 -0.174 0.000 2.224 300 Y HA -0.193 4.358 4.550 0.001 0.000 0.289 300 Y C 2.161 177.912 175.900 -0.249 0.000 1.146 300 Y CA 1.556 59.524 58.100 -0.220 0.000 1.182 300 Y CB -0.994 37.477 38.460 0.019 0.000 0.983 300 Y HN 0.248 nan 8.280 nan 0.000 0.524 301 L N -0.176 120.848 121.223 -0.332 0.000 2.021 301 L HA -0.311 4.029 4.340 0.000 0.000 0.215 301 L C 2.228 178.936 176.870 -0.270 0.000 1.074 301 L CA 2.536 57.135 54.840 -0.401 0.000 0.760 301 L CB -0.729 41.026 42.059 -0.506 0.000 0.889 301 L HN 0.390 nan 8.230 nan 0.000 0.433 302 H N -2.257 116.596 119.070 -0.361 0.000 2.465 302 H HA 0.008 4.564 4.556 0.000 0.000 0.289 302 H C 2.357 177.443 175.328 -0.404 0.000 1.022 302 H CA 0.669 56.486 56.048 -0.384 0.000 1.340 302 H CB 0.132 29.690 29.762 -0.339 0.000 1.437 302 H HN 0.523 nan 8.280 nan 0.000 0.539 303 S N 1.738 117.180 115.700 -0.429 0.000 2.355 303 S HA -0.220 4.250 4.470 0.000 0.000 0.222 303 S C 2.128 176.619 174.600 -0.181 0.000 1.031 303 S CA 1.169 59.131 58.200 -0.397 0.000 0.993 303 S CB -0.276 62.526 63.200 -0.663 0.000 0.859 303 S HN 0.523 nan 8.310 nan 0.000 0.453 304 R N 0.844 121.228 120.500 -0.193 0.000 2.115 304 R HA 0.074 4.415 4.340 0.000 0.000 0.230 304 R C 2.335 178.591 176.300 -0.073 0.000 1.111 304 R CA 1.263 57.290 56.100 -0.122 0.000 0.976 304 R CB -0.792 29.325 30.300 -0.305 0.000 0.870 304 R HN 0.454 nan 8.270 nan 0.000 0.445 305 L N 1.190 122.358 121.223 -0.091 0.000 2.005 305 L HA -0.029 4.311 4.340 0.000 0.000 0.207 305 L C 2.134 178.929 176.870 -0.124 0.000 1.072 305 L CA 1.620 56.382 54.840 -0.131 0.000 0.744 305 L CB -0.236 41.569 42.059 -0.422 0.000 0.895 305 L HN 0.225 nan 8.230 nan 0.000 0.433 306 L N -0.740 120.400 121.223 -0.140 0.000 2.313 306 L HA -0.055 4.285 4.340 0.000 0.000 0.214 306 L C 2.478 179.337 176.870 -0.018 0.000 1.119 306 L CA 0.409 55.211 54.840 -0.064 0.000 0.809 306 L CB -0.595 41.413 42.059 -0.085 0.000 0.933 306 L HN 0.300 nan 8.230 nan 0.000 0.449 307 E N 0.639 120.824 120.200 -0.024 0.000 2.209 307 E HA -0.229 4.121 4.350 0.000 0.000 0.196 307 E C 2.143 178.748 176.600 0.009 0.000 0.993 307 E CA 1.066 57.466 56.400 0.000 0.000 0.819 307 E CB -0.039 29.666 29.700 0.008 0.000 0.745 307 E HN 0.506 nan 8.360 nan 0.000 0.477 308 R N 0.382 120.891 120.500 0.014 0.000 2.235 308 R HA 0.059 4.399 4.340 0.000 0.000 0.213 308 R C 0.922 177.245 176.300 0.037 0.000 1.059 308 R CA 0.433 56.550 56.100 0.028 0.000 0.997 308 R CB 0.031 30.355 30.300 0.041 0.000 0.884 308 R HN -0.068 nan 8.270 nan 0.000 0.462 309 A N 1.336 124.181 122.820 0.043 0.000 2.404 309 A HA 0.577 4.897 4.320 0.000 0.000 0.273 309 A C -0.209 177.391 177.584 0.027 0.000 1.144 309 A CA -0.012 52.051 52.037 0.043 0.000 0.806 309 A CB 0.289 19.319 19.000 0.049 0.000 1.080 309 A HN 0.297 nan 8.150 nan 0.000 0.509 310 A N 2.581 125.417 122.820 0.026 0.000 2.606 310 A HA 0.743 5.063 4.320 0.000 0.000 0.293 310 A C -0.712 176.887 177.584 0.026 0.000 1.082 310 A CA -0.804 51.242 52.037 0.014 0.000 0.685 310 A CB 1.229 20.225 19.000 -0.006 0.000 1.284 310 A HN 0.793 nan 8.150 nan 0.000 0.408 311 K N 1.721 122.135 120.400 0.022 0.000 2.293 311 K HA 0.581 4.901 4.320 0.000 0.000 0.267 311 K C -0.710 175.904 176.600 0.023 0.000 1.010 311 K CA -0.283 56.027 56.287 0.039 0.000 0.875 311 K CB 0.449 32.971 32.500 0.038 0.000 1.106 311 K HN 0.587 nan 8.250 nan 0.000 0.450 312 M N 3.350 122.971 119.600 0.035 0.000 2.249 312 M HA 0.215 4.695 4.480 0.000 0.000 0.351 312 M C 0.158 176.502 176.300 0.074 0.000 1.180 312 M CA -0.800 54.520 55.300 0.033 0.000 1.127 312 M CB 0.485 33.117 32.600 0.053 0.000 1.546 312 M HN 0.743 nan 8.290 nan 0.000 0.461 313 N N 1.331 120.090 118.700 0.099 0.000 2.354 313 N HA 0.051 4.791 4.740 0.000 0.000 0.246 313 N C 0.158 175.752 175.510 0.141 0.000 1.285 313 N CA -0.173 52.950 53.050 0.121 0.000 0.925 313 N CB 0.459 39.022 38.487 0.126 0.000 1.174 313 N HN 0.414 nan 8.380 nan 0.000 0.478 314 D N -0.124 120.334 120.400 0.096 0.000 2.133 314 D HA -0.198 4.442 4.640 0.000 0.000 0.195 314 D C 1.731 178.058 176.300 0.044 0.000 0.997 314 D CA 2.125 56.163 54.000 0.062 0.000 0.840 314 D CB -0.791 40.033 40.800 0.039 0.000 0.947 314 D HN 0.737 nan 8.370 nan 0.000 0.452 315 A N -0.251 122.602 122.820 0.055 0.000 2.084 315 A HA -0.164 4.156 4.320 0.000 0.000 0.221 315 A C 1.398 178.830 177.584 -0.253 0.000 1.161 315 A CA 1.027 53.018 52.037 -0.076 0.000 0.653 315 A CB -0.606 18.357 19.000 -0.060 0.000 0.802 315 A HN 0.214 nan 8.150 nan 0.000 0.457 316 F N -1.669 118.272 119.950 -0.015 0.000 2.668 316 F HA 0.442 4.969 4.527 0.000 0.000 0.301 316 F C 1.610 177.388 175.800 -0.037 0.000 1.106 316 F CA 0.420 58.405 58.000 -0.024 0.000 1.289 316 F CB 0.655 39.643 39.000 -0.019 0.000 1.006 316 F HN 0.312 nan 8.300 nan 0.000 0.535 317 G N -0.565 108.276 108.800 0.069 0.000 2.253 317 G HA2 -0.056 3.904 3.960 0.000 0.000 0.209 317 G HA3 -0.056 3.904 3.960 0.000 0.000 0.209 317 G C 1.265 176.172 174.900 0.013 0.000 0.997 317 G CA -0.148 44.960 45.100 0.012 0.000 0.640 317 G HN 1.016 nan 8.290 nan 0.000 0.496 318 G N -0.444 108.386 108.800 0.050 0.000 2.184 318 G HA2 0.166 4.126 3.960 0.000 0.000 0.264 318 G HA3 0.166 4.126 3.960 0.000 0.000 0.264 318 G C 1.506 176.419 174.900 0.022 0.000 0.975 318 G CA 1.157 46.293 45.100 0.061 0.000 0.642 318 G HN 2.093 nan 8.290 nan 0.000 0.536 319 G N -0.464 108.282 108.800 -0.089 0.000 2.653 319 G HA2 0.715 4.675 3.960 0.000 0.000 0.265 319 G HA3 0.715 4.675 3.960 0.000 0.000 0.265 319 G C 0.278 175.129 174.900 -0.081 0.000 1.237 319 G CA 0.971 45.895 45.100 -0.293 0.000 0.946 319 G HN 1.868 nan 8.290 nan 0.000 0.522 320 S N -1.587 114.087 115.700 -0.043 0.000 2.547 320 S HA 0.538 5.009 4.470 0.000 0.000 0.270 320 S C -1.578 173.084 174.600 0.104 0.000 1.150 320 S CA -0.817 57.449 58.200 0.111 0.000 0.850 320 S CB 1.848 65.189 63.200 0.235 0.000 1.118 320 S HN 0.952 nan 8.310 nan 0.000 0.461 321 L N 1.978 123.247 121.223 0.078 0.000 2.325 321 L HA 0.736 5.077 4.340 0.000 0.000 0.281 321 L C -0.605 176.290 176.870 0.042 0.000 1.004 321 L CA 0.235 55.113 54.840 0.064 0.000 0.823 321 L CB 1.630 43.728 42.059 0.066 0.000 1.236 321 L HN 0.941 nan 8.230 nan 0.000 0.415 322 T N 4.573 119.140 114.554 0.022 0.000 2.794 322 T HA 0.815 5.165 4.350 0.000 0.000 0.280 322 T C -0.333 174.352 174.700 -0.025 0.000 0.987 322 T CA -0.322 61.779 62.100 0.003 0.000 0.993 322 T CB 1.325 70.189 68.868 -0.007 0.000 0.939 322 T HN 0.782 nan 8.240 nan 0.000 0.449 323 A N 3.541 126.353 122.820 -0.013 0.000 2.331 323 A HA 0.769 5.089 4.320 0.000 0.000 0.320 323 A C -0.524 177.046 177.584 -0.024 0.000 1.138 323 A CA -0.733 51.283 52.037 -0.034 0.000 0.790 323 A CB 0.549 19.601 19.000 0.086 0.000 1.206 323 A HN 0.867 nan 8.150 nan 0.000 0.470 324 L N 4.617 125.796 121.223 -0.073 0.000 2.445 324 L HA 0.329 4.669 4.340 0.000 0.000 0.252 324 L C -2.337 174.522 176.870 -0.019 0.000 1.105 324 L CA -1.731 53.090 54.840 -0.032 0.000 0.943 324 L CB 1.462 43.503 42.059 -0.030 0.000 1.277 324 L HN 0.492 nan 8.230 nan 0.000 0.465 325 P HA 0.162 nan 4.420 nan 0.000 0.274 325 P C -0.546 176.756 177.300 0.004 0.000 1.231 325 P CA -0.157 62.990 63.100 0.077 0.000 0.790 325 P CB 2.006 33.722 31.700 0.026 0.000 0.951 326 V N 3.774 123.680 119.914 -0.013 0.000 2.555 326 V HA 0.424 4.544 4.120 0.000 0.000 0.302 326 V C 0.278 176.356 176.094 -0.026 0.000 1.038 326 V CA -0.619 61.677 62.300 -0.008 0.000 0.887 326 V CB 1.782 33.605 31.823 -0.001 0.000 0.991 326 V HN 0.411 nan 8.190 nan 0.000 0.434 327 I N 3.163 123.731 120.570 -0.002 0.000 2.498 327 I HA 0.422 4.593 4.170 0.000 0.000 0.290 327 I C -0.050 176.089 176.117 0.038 0.000 1.032 327 I CA -0.414 60.888 61.300 0.003 0.000 1.073 327 I CB 2.064 40.061 38.000 -0.005 0.000 1.251 327 I HN 0.773 nan 8.210 nan 0.000 0.426 328 E N 5.186 125.411 120.200 0.042 0.000 2.115 328 E HA 0.319 4.670 4.350 0.000 0.000 0.282 328 E C -0.408 176.234 176.600 0.071 0.000 0.987 328 E CA -0.382 56.051 56.400 0.054 0.000 0.797 328 E CB 1.006 30.733 29.700 0.046 0.000 1.086 328 E HN 0.691 nan 8.360 nan 0.000 0.397 329 T N 2.167 116.776 114.554 0.092 0.000 2.868 329 T HA 0.208 4.559 4.350 0.000 0.000 0.292 329 T C 0.161 174.912 174.700 0.086 0.000 1.028 329 T CA -0.919 61.240 62.100 0.099 0.000 1.059 329 T CB 1.307 70.260 68.868 0.142 0.000 0.991 329 T HN 0.333 nan 8.240 nan 0.000 0.531 330 Q N 0.784 120.633 119.800 0.082 0.000 2.368 330 Q HA 0.509 4.849 4.340 0.000 0.000 0.256 330 Q C 0.572 176.614 176.000 0.070 0.000 0.980 330 Q CA 0.077 55.921 55.803 0.069 0.000 0.887 330 Q CB 0.860 29.639 28.738 0.068 0.000 1.221 330 Q HN 1.178 nan 8.270 nan 0.000 0.458 331 A N 2.526 125.384 122.820 0.063 0.000 2.745 331 A HA -0.150 4.170 4.320 0.000 0.000 0.296 331 A C 1.154 178.792 177.584 0.089 0.000 1.500 331 A CA 1.456 53.530 52.037 0.061 0.000 0.766 331 A CB -2.095 16.932 19.000 0.045 0.000 1.030 331 A HN 1.494 nan 8.150 nan 0.000 0.489 332 G N -1.234 107.647 108.800 0.135 0.000 2.184 332 G HA2 -0.229 3.731 3.960 0.000 0.000 0.264 332 G HA3 -0.229 3.731 3.960 0.000 0.000 0.264 332 G C 0.032 175.021 174.900 0.148 0.000 0.975 332 G CA 1.036 46.271 45.100 0.224 0.000 0.642 332 G HN 1.703 nan 8.290 nan 0.000 0.536 333 D N 1.009 121.464 120.400 0.091 0.000 2.441 333 D HA 0.355 4.995 4.640 0.000 0.000 0.243 333 D C 1.910 178.218 176.300 0.015 0.000 1.257 333 D CA 0.456 54.484 54.000 0.047 0.000 1.027 333 D CB 0.428 41.260 40.800 0.053 0.000 1.084 333 D HN 0.647 nan 8.370 nan 0.000 0.514 334 V N 0.935 120.814 119.914 -0.059 0.000 3.306 334 V HA 0.006 4.126 4.120 0.000 0.000 0.264 334 V C 1.697 177.753 176.094 -0.064 0.000 1.149 334 V CA 0.659 62.886 62.300 -0.121 0.000 1.143 334 V CB -0.110 31.514 31.823 -0.332 0.000 0.767 334 V HN 0.271 nan 8.190 nan 0.000 0.476 335 S N 0.587 116.270 115.700 -0.028 0.000 2.562 335 S HA 0.490 4.960 4.470 0.000 0.000 0.221 335 S C 1.349 175.974 174.600 0.041 0.000 0.975 335 S CA 0.440 58.640 58.200 0.001 0.000 0.918 335 S CB -0.252 62.949 63.200 0.002 0.000 0.772 335 S HN 0.908 nan 8.310 nan 0.000 0.531 336 A N 0.405 123.258 122.820 0.055 0.000 2.387 336 A HA 0.277 4.598 4.320 0.000 0.000 0.251 336 A C 0.838 178.515 177.584 0.155 0.000 1.113 336 A CA -0.001 52.100 52.037 0.106 0.000 0.794 336 A CB -0.237 18.827 19.000 0.108 0.000 1.069 336 A HN 0.501 nan 8.150 nan 0.000 0.506 337 Y N -0.285 120.035 120.300 0.034 0.000 2.133 337 Y HA -0.170 4.380 4.550 0.000 0.000 0.287 337 Y C 1.862 177.750 175.900 -0.020 0.000 1.134 337 Y CA 1.644 59.752 58.100 0.015 0.000 1.133 337 Y CB -0.022 38.461 38.460 0.040 0.000 0.987 337 Y HN 0.478 nan 8.280 nan 0.000 0.502 338 I N 0.845 121.303 120.570 -0.186 0.000 2.163 338 I HA -0.158 4.013 4.170 0.000 0.000 0.240 338 I C -0.521 175.538 176.117 -0.097 0.000 1.081 338 I CA 1.138 62.268 61.300 -0.284 0.000 1.353 338 I CB -2.928 34.914 38.000 -0.264 0.000 1.054 338 I HN 0.176 nan 8.210 nan 0.000 0.407 339 P HA -0.190 nan 4.420 nan 0.000 0.215 339 P C 1.867 179.164 177.300 -0.006 0.000 1.163 339 P CA 2.826 65.920 63.100 -0.009 0.000 0.894 339 P CB -0.353 31.348 31.700 0.003 0.000 0.791 340 T N -3.713 110.848 114.554 0.010 0.000 2.746 340 T HA -0.158 4.192 4.350 0.000 0.000 0.267 340 T C 1.734 176.461 174.700 0.045 0.000 1.039 340 T CA 1.425 63.541 62.100 0.027 0.000 1.142 340 T CB -1.329 67.569 68.868 0.050 0.000 0.866 340 T HN -0.047 nan 8.240 nan 0.000 0.444 341 N N 1.547 120.265 118.700 0.031 0.000 2.049 341 N HA -0.111 4.629 4.740 0.000 0.000 0.198 341 N C 1.908 177.521 175.510 0.170 0.000 1.030 341 N CA 1.613 54.741 53.050 0.129 0.000 0.870 341 N CB -0.986 37.500 38.487 -0.002 0.000 1.045 341 N HN 0.385 nan 8.380 nan 0.000 0.434 342 V N 0.979 120.935 119.914 0.070 0.000 2.453 342 V HA -0.073 4.047 4.120 0.000 0.000 0.247 342 V C 2.207 178.321 176.094 0.033 0.000 1.048 342 V CA 0.878 63.195 62.300 0.029 0.000 1.049 342 V CB -0.360 31.436 31.823 -0.045 0.000 0.672 342 V HN 0.241 nan 8.190 nan 0.000 0.457 343 I N 1.386 121.974 120.570 0.030 0.000 2.226 343 I HA -0.227 3.944 4.170 0.000 0.000 0.245 343 I C 2.538 178.684 176.117 0.048 0.000 1.100 343 I CA 1.932 63.246 61.300 0.024 0.000 1.374 343 I CB -0.409 37.592 38.000 0.002 0.000 1.057 343 I HN 0.479 nan 8.210 nan 0.000 0.413 344 S N 0.118 115.867 115.700 0.081 0.000 2.603 344 S HA 0.040 4.510 4.470 0.000 0.000 0.229 344 S C 1.591 176.292 174.600 0.169 0.000 0.972 344 S CA 0.536 58.802 58.200 0.111 0.000 0.935 344 S CB -0.422 62.843 63.200 0.108 0.000 0.769 344 S HN 0.445 nan 8.310 nan 0.000 0.536 345 I N 1.330 121.985 120.570 0.141 0.000 3.194 345 I HA 0.063 4.234 4.170 0.000 0.000 0.271 345 I C 1.563 177.710 176.117 0.050 0.000 1.150 345 I CA 0.650 62.010 61.300 0.100 0.000 1.440 345 I CB -0.297 37.718 38.000 0.025 0.000 1.276 345 I HN 0.355 nan 8.210 nan 0.000 0.457 346 T N -1.647 112.926 114.554 0.032 0.000 2.732 346 T HA 0.109 4.459 4.350 0.000 0.000 0.287 346 T C 0.140 174.855 174.700 0.026 0.000 0.993 346 T CA -0.397 61.715 62.100 0.021 0.000 0.966 346 T CB 0.593 69.468 68.868 0.011 0.000 1.047 346 T HN 0.010 nan 8.240 nan 0.000 0.527 347 D N 0.604 121.017 120.400 0.022 0.000 3.058 347 D HA 0.465 5.105 4.640 0.000 0.000 0.272 347 D C 0.902 177.214 176.300 0.021 0.000 1.350 347 D CA 0.243 54.256 54.000 0.021 0.000 0.863 347 D CB -0.222 40.589 40.800 0.018 0.000 1.064 347 D HN 1.029 nan 8.370 nan 0.000 0.488 348 G N 0.846 109.659 108.800 0.022 0.000 2.384 348 G HA2 0.076 4.036 3.960 0.000 0.000 0.668 348 G HA3 0.076 4.036 3.960 0.000 0.000 0.668 348 G C -1.539 173.378 174.900 0.029 0.000 1.280 348 G CA -1.057 44.058 45.100 0.024 0.000 0.992 348 G HN 0.144 nan 8.290 nan 0.000 0.512 349 Q N -1.368 118.456 119.800 0.040 0.000 2.391 349 Q HA 0.734 5.075 4.340 0.000 0.000 0.279 349 Q C -0.779 175.272 176.000 0.085 0.000 1.028 349 Q CA -0.570 55.267 55.803 0.057 0.000 0.836 349 Q CB 2.367 31.136 28.738 0.052 0.000 1.414 349 Q HN 0.725 nan 8.270 nan 0.000 0.397 350 I N 1.938 122.568 120.570 0.100 0.000 2.355 350 I HA 0.395 4.565 4.170 0.000 0.000 0.288 350 I C -1.170 175.062 176.117 0.191 0.000 0.999 350 I CA -0.684 60.687 61.300 0.118 0.000 1.163 350 I CB 0.757 38.802 38.000 0.075 0.000 1.316 350 I HN 0.504 nan 8.210 nan 0.000 0.454 351 F N 8.186 128.152 119.950 0.027 0.000 2.385 351 F HA 0.549 5.077 4.527 0.001 0.000 0.360 351 F C -0.824 174.999 175.800 0.038 0.000 1.122 351 F CA -0.926 57.092 58.000 0.029 0.000 1.090 351 F CB 0.603 39.620 39.000 0.029 0.000 1.150 351 F HN 0.173 nan 8.300 nan 0.000 0.472 352 L N 5.608 126.602 121.223 -0.381 0.000 2.309 352 L HA 0.500 4.840 4.340 0.000 0.000 0.282 352 L C -0.296 176.158 176.870 -0.693 0.000 1.036 352 L CA -0.655 53.945 54.840 -0.401 0.000 0.806 352 L CB 1.615 43.587 42.059 -0.145 0.000 1.220 352 L HN 0.522 nan 8.230 nan 0.000 0.429 353 E N 0.685 120.612 120.200 -0.455 0.000 2.210 353 E HA 0.226 4.576 4.350 0.000 0.000 0.266 353 E C 0.046 176.594 176.600 -0.086 0.000 0.883 353 E CA -0.395 55.790 56.400 -0.359 0.000 0.761 353 E CB 2.342 31.866 29.700 -0.294 0.000 1.156 353 E HN 0.577 nan 8.360 nan 0.000 0.412 354 T N 2.028 116.554 114.554 -0.047 0.000 2.720 354 T HA -0.191 4.159 4.350 0.000 0.000 0.268 354 T C 1.408 176.193 174.700 0.141 0.000 1.037 354 T CA 1.225 63.352 62.100 0.046 0.000 1.144 354 T CB 0.029 68.905 68.868 0.013 0.000 0.864 354 T HN 0.464 nan 8.240 nan 0.000 0.444 355 E N 0.449 120.700 120.200 0.085 0.000 2.085 355 E HA -0.095 4.256 4.350 0.000 0.000 0.194 355 E C 2.222 178.918 176.600 0.160 0.000 0.994 355 E CA 0.898 57.367 56.400 0.115 0.000 0.801 355 E CB -0.194 29.545 29.700 0.065 0.000 0.743 355 E HN 0.472 nan 8.360 nan 0.000 0.453 356 L N -0.314 120.976 121.223 0.111 0.000 2.056 356 L HA -0.148 4.192 4.340 0.000 0.000 0.207 356 L C 2.424 179.360 176.870 0.110 0.000 1.078 356 L CA 0.827 55.720 54.840 0.089 0.000 0.749 356 L CB -0.480 41.605 42.059 0.044 0.000 0.901 356 L HN 0.123 nan 8.230 nan 0.000 0.433 357 F N -0.114 119.849 119.950 0.021 0.000 2.095 357 F HA -0.323 4.205 4.527 0.000 0.000 0.298 357 F C 2.639 178.475 175.800 0.060 0.000 1.104 357 F CA 1.613 59.628 58.000 0.025 0.000 1.232 357 F CB -0.351 38.659 39.000 0.017 0.000 0.987 357 F HN -0.032 nan 8.300 nan 0.000 0.475 358 Y N 1.441 121.853 120.300 0.186 0.000 2.097 358 Y HA -0.258 4.292 4.550 0.000 0.000 0.282 358 Y C 2.270 178.169 175.900 -0.003 0.000 1.152 358 Y CA 2.111 60.271 58.100 0.100 0.000 1.136 358 Y CB -0.622 37.897 38.460 0.097 0.000 0.975 358 Y HN -0.061 nan 8.280 nan 0.000 0.498 359 K N -0.071 120.365 120.400 0.060 0.000 2.520 359 K HA -0.083 4.237 4.320 0.000 0.000 0.197 359 K C 1.314 177.834 176.600 -0.134 0.000 1.043 359 K CA 0.815 57.077 56.287 -0.042 0.000 0.944 359 K CB -0.745 31.782 32.500 0.046 0.000 0.770 359 K HN 0.680 nan 8.250 nan 0.000 0.480 360 G N 1.790 110.463 108.800 -0.212 0.000 2.153 360 G HA2 -0.274 3.686 3.960 0.000 0.000 0.252 360 G HA3 -0.274 3.686 3.960 0.000 0.000 0.252 360 G C 0.154 174.944 174.900 -0.183 0.000 0.994 360 G CA -0.073 44.874 45.100 -0.255 0.000 0.698 360 G HN 0.321 nan 8.290 nan 0.000 0.521 361 I N 0.950 121.446 120.570 -0.123 0.000 2.329 361 I HA 0.319 4.489 4.170 0.000 0.000 0.295 361 I C 0.833 176.894 176.117 -0.094 0.000 1.109 361 I CA 0.191 61.446 61.300 -0.075 0.000 1.297 361 I CB 0.361 38.349 38.000 -0.018 0.000 1.433 361 I HN 0.072 nan 8.210 nan 0.000 0.509 362 R N 7.709 128.145 120.500 -0.107 0.000 2.510 362 R HA 0.358 4.698 4.340 0.000 0.000 0.294 362 R C -2.664 173.600 176.300 -0.059 0.000 1.056 362 R CA -1.629 54.405 56.100 -0.110 0.000 0.918 362 R CB 2.320 32.470 30.300 -0.250 0.000 1.187 362 R HN 0.255 nan 8.270 nan 0.000 0.437 363 P HA 0.035 nan 4.420 nan 0.000 0.271 363 P C -0.282 177.037 177.300 0.033 0.000 1.216 363 P CA -0.172 62.940 63.100 0.021 0.000 0.776 363 P CB 1.066 32.777 31.700 0.018 0.000 0.881 364 A N 4.345 127.221 122.820 0.093 0.000 2.810 364 A HA 0.157 4.477 4.320 0.000 0.000 0.247 364 A C 0.736 178.317 177.584 -0.006 0.000 1.576 364 A CA -0.274 51.809 52.037 0.076 0.000 1.294 364 A CB -1.573 17.550 19.000 0.204 0.000 0.976 364 A HN 0.484 nan 8.150 nan 0.000 0.631 365 I N 1.274 121.844 120.570 -0.001 0.000 2.379 365 I HA 0.026 4.197 4.170 0.000 0.000 0.290 365 I C 0.545 176.662 176.117 0.001 0.000 1.063 365 I CA -0.388 60.907 61.300 -0.009 0.000 1.351 365 I CB 0.570 38.582 38.000 0.020 0.000 1.410 365 I HN 0.331 nan 8.210 nan 0.000 0.505 366 N N 6.670 125.361 118.700 -0.015 0.000 2.402 366 N HA 0.031 4.771 4.740 0.000 0.000 0.259 366 N C 0.846 176.420 175.510 0.105 0.000 1.167 366 N CA 0.093 53.179 53.050 0.060 0.000 0.949 366 N CB 1.253 39.815 38.487 0.125 0.000 1.212 366 N HN 0.421 nan 8.380 nan 0.000 0.493 367 V N 3.747 123.710 119.914 0.083 0.000 2.343 367 V HA -0.161 3.959 4.120 0.000 0.000 0.247 367 V C 2.310 178.455 176.094 0.085 0.000 1.051 367 V CA 2.236 64.583 62.300 0.078 0.000 1.036 367 V CB -0.820 31.042 31.823 0.066 0.000 0.654 367 V HN 0.744 nan 8.190 nan 0.000 0.451 368 G N -0.446 108.408 108.800 0.091 0.000 2.421 368 G HA2 -0.113 3.847 3.960 0.000 0.000 0.217 368 G HA3 -0.113 3.847 3.960 0.000 0.000 0.217 368 G C 1.433 176.385 174.900 0.086 0.000 1.143 368 G CA 0.491 45.639 45.100 0.079 0.000 0.784 368 G HN 0.514 nan 8.290 nan 0.000 0.541 369 L N 0.781 122.082 121.223 0.130 0.000 2.567 369 L HA 0.233 4.573 4.340 0.000 0.000 0.225 369 L C 0.795 177.739 176.870 0.123 0.000 1.119 369 L CA -0.206 54.709 54.840 0.125 0.000 0.871 369 L CB 0.241 42.416 42.059 0.194 0.000 1.036 369 L HN -0.010 nan 8.230 nan 0.000 0.459 370 S N 0.047 115.829 115.700 0.137 0.000 2.616 370 S HA 0.642 5.112 4.470 0.000 0.000 0.277 370 S C -0.226 174.417 174.600 0.071 0.000 1.234 370 S CA -0.473 57.796 58.200 0.116 0.000 1.028 370 S CB 2.099 65.369 63.200 0.116 0.000 0.988 370 S HN -0.024 nan 8.310 nan 0.000 0.522 371 V N 0.553 120.501 119.914 0.058 0.000 3.077 371 V HA 0.601 4.721 4.120 0.000 0.000 0.299 371 V C -0.583 175.533 176.094 0.035 0.000 1.276 371 V CA -0.891 61.433 62.300 0.040 0.000 0.993 371 V CB 1.838 33.679 31.823 0.030 0.000 1.076 371 V HN 0.717 nan 8.190 nan 0.000 0.434 372 S N 1.624 117.341 115.700 0.028 0.000 2.474 372 S HA 0.457 4.928 4.470 0.000 0.000 0.321 372 S C 0.884 175.495 174.600 0.019 0.000 1.080 372 S CA -0.706 57.507 58.200 0.023 0.000 1.106 372 S CB 1.045 64.257 63.200 0.019 0.000 0.984 372 S HN 0.741 nan 8.310 nan 0.000 0.464 373 R N 2.545 123.056 120.500 0.018 0.000 2.148 373 R HA -0.003 4.337 4.340 0.000 0.000 0.223 373 R C 1.463 177.771 176.300 0.013 0.000 1.088 373 R CA 1.557 57.667 56.100 0.016 0.000 0.985 373 R CB -0.173 30.138 30.300 0.017 0.000 0.880 373 R HN 0.635 nan 8.270 nan 0.000 0.451 374 V N -5.114 114.807 119.914 0.012 0.000 3.398 374 V HA 0.383 4.503 4.120 0.000 0.000 0.298 374 V C 1.497 177.594 176.094 0.006 0.000 1.496 374 V CA 0.554 62.860 62.300 0.009 0.000 1.044 374 V CB 0.712 32.541 31.823 0.009 0.000 0.880 374 V HN 0.146 nan 8.190 nan 0.000 0.443 375 G N 0.811 109.615 108.800 0.006 0.000 2.511 375 G HA2 -0.165 3.795 3.960 0.000 0.000 0.217 375 G HA3 -0.165 3.795 3.960 0.000 0.000 0.217 375 G C 1.589 176.489 174.900 0.000 0.000 1.133 375 G CA 1.189 46.290 45.100 0.002 0.000 0.792 375 G HN 0.601 nan 8.290 nan 0.000 0.539 376 S N 1.167 116.870 115.700 0.005 0.000 2.383 376 S HA -0.018 4.453 4.470 0.000 0.000 0.229 376 S C 2.635 177.236 174.600 0.002 0.000 1.030 376 S CA 1.676 59.879 58.200 0.005 0.000 1.002 376 S CB -0.412 62.792 63.200 0.008 0.000 0.829 376 S HN 0.512 nan 8.310 nan 0.000 0.467 377 A N 0.391 123.211 122.820 0.000 0.000 2.125 377 A HA 0.392 4.713 4.320 0.000 0.000 0.219 377 A C 2.113 179.692 177.584 -0.008 0.000 1.156 377 A CA 1.458 53.494 52.037 -0.002 0.000 0.671 377 A CB -0.796 18.204 19.000 -0.000 0.000 0.794 377 A HN 0.848 nan 8.150 nan 0.000 0.459 378 A N -1.509 121.303 122.820 -0.013 0.000 2.348 378 A HA 0.267 4.587 4.320 0.000 0.000 0.224 378 A C 0.997 178.564 177.584 -0.027 0.000 1.227 378 A CA -0.069 51.953 52.037 -0.025 0.000 0.885 378 A CB -0.117 18.864 19.000 -0.032 0.000 0.933 378 A HN 0.557 nan 8.150 nan 0.000 0.506 379 Q N 1.504 121.296 119.800 -0.014 0.000 2.327 379 Q HA 0.299 4.639 4.340 0.000 0.000 0.254 379 Q C 0.008 176.004 176.000 -0.008 0.000 0.952 379 Q CA -0.067 55.730 55.803 -0.009 0.000 0.884 379 Q CB 0.684 29.423 28.738 0.001 0.000 1.224 379 Q HN 0.501 nan 8.270 nan 0.000 0.422 380 T N 0.855 115.405 114.554 -0.006 0.000 2.926 380 T HA 0.052 4.402 4.350 0.000 0.000 0.307 380 T C 0.843 175.548 174.700 0.007 0.000 1.059 380 T CA -0.604 61.495 62.100 -0.002 0.000 1.122 380 T CB 0.999 69.869 68.868 0.003 0.000 0.972 380 T HN 0.700 nan 8.240 nan 0.000 0.545 381 R N 2.264 122.768 120.500 0.007 0.000 2.096 381 R HA -0.008 4.332 4.340 0.000 0.000 0.235 381 R C 2.487 178.799 176.300 0.021 0.000 1.127 381 R CA 1.888 57.996 56.100 0.013 0.000 0.968 381 R CB -1.376 28.930 30.300 0.011 0.000 0.861 381 R HN 0.866 nan 8.270 nan 0.000 0.440 382 A N 0.343 123.176 122.820 0.021 0.000 1.892 382 A HA -0.247 4.073 4.320 0.000 0.000 0.218 382 A C 2.172 179.780 177.584 0.040 0.000 1.188 382 A CA 2.124 54.178 52.037 0.028 0.000 0.631 382 A CB -0.630 18.382 19.000 0.021 0.000 0.822 382 A HN 0.478 nan 8.150 nan 0.000 0.447 383 M N -0.379 119.241 119.600 0.033 0.000 2.156 383 M HA -0.008 4.472 4.480 0.000 0.000 0.264 383 M C 1.822 178.143 176.300 0.035 0.000 1.067 383 M CA 1.788 57.110 55.300 0.037 0.000 1.131 383 M CB -0.404 32.213 32.600 0.029 0.000 1.368 383 M HN 0.345 nan 8.290 nan 0.000 0.416 384 K N -0.382 120.035 120.400 0.027 0.000 2.152 384 K HA -0.212 4.108 4.320 0.000 0.000 0.206 384 K C 2.016 178.633 176.600 0.029 0.000 1.048 384 K CA 1.738 58.039 56.287 0.024 0.000 0.933 384 K CB -0.224 32.287 32.500 0.018 0.000 0.721 384 K HN 0.575 nan 8.250 nan 0.000 0.447 385 Q N -0.042 119.781 119.800 0.038 0.000 2.224 385 Q HA -0.118 4.223 4.340 0.000 0.000 0.203 385 Q C 2.044 178.079 176.000 0.057 0.000 0.970 385 Q CA 1.523 57.355 55.803 0.048 0.000 0.865 385 Q CB 0.189 28.963 28.738 0.061 0.000 0.922 385 Q HN 0.315 nan 8.270 nan 0.000 0.445 386 V N -4.847 115.106 119.914 0.064 0.000 3.379 386 V HA 0.316 4.436 4.120 0.000 0.000 0.249 386 V C 1.869 177.981 176.094 0.030 0.000 1.184 386 V CA 0.713 63.049 62.300 0.060 0.000 1.106 386 V CB -0.191 31.698 31.823 0.110 0.000 0.826 386 V HN 0.141 nan 8.190 nan 0.000 0.465 387 A N 1.758 124.597 122.820 0.031 0.000 1.929 387 A HA 0.184 4.504 4.320 0.000 0.000 0.216 387 A C 2.307 179.899 177.584 0.014 0.000 1.176 387 A CA 1.692 53.742 52.037 0.022 0.000 0.628 387 A CB -1.364 17.650 19.000 0.024 0.000 0.816 387 A HN 0.669 nan 8.150 nan 0.000 0.444 388 G N 0.013 108.821 108.800 0.013 0.000 2.476 388 G HA2 -0.303 3.657 3.960 0.000 0.000 0.218 388 G HA3 -0.303 3.657 3.960 0.000 0.000 0.218 388 G C 1.791 176.692 174.900 0.003 0.000 1.164 388 G CA 2.315 47.420 45.100 0.009 0.000 0.768 388 G HN 0.700 nan 8.290 nan 0.000 0.560 389 T N -1.780 112.771 114.554 -0.004 0.000 2.904 389 T HA 0.023 4.373 4.350 0.000 0.000 0.267 389 T C 2.333 177.021 174.700 -0.020 0.000 1.059 389 T CA 1.380 63.470 62.100 -0.016 0.000 1.137 389 T CB -0.183 68.666 68.868 -0.032 0.000 0.879 389 T HN 0.227 nan 8.240 nan 0.000 0.467 390 M N 0.890 120.479 119.600 -0.018 0.000 2.117 390 M HA -0.053 4.427 4.480 0.000 0.000 0.262 390 M C 2.535 178.832 176.300 -0.005 0.000 1.065 390 M CA 1.739 57.028 55.300 -0.019 0.000 1.114 390 M CB -0.257 32.335 32.600 -0.014 0.000 1.361 390 M HN 0.246 nan 8.290 nan 0.000 0.408 391 K N 0.250 120.654 120.400 0.006 0.000 2.009 391 K HA -0.241 4.079 4.320 0.000 0.000 0.210 391 K C 1.933 178.545 176.600 0.019 0.000 1.049 391 K CA 1.760 58.057 56.287 0.016 0.000 0.929 391 K CB -0.405 32.105 32.500 0.017 0.000 0.714 391 K HN 0.323 nan 8.250 nan 0.000 0.440 392 L N 1.997 123.227 121.223 0.011 0.000 1.989 392 L HA -0.186 4.155 4.340 0.000 0.000 0.211 392 L C 1.990 178.871 176.870 0.018 0.000 1.071 392 L CA 1.891 56.738 54.840 0.012 0.000 0.749 392 L CB -0.430 41.631 42.059 0.003 0.000 0.890 392 L HN 0.257 nan 8.230 nan 0.000 0.431 393 E N -0.922 119.282 120.200 0.007 0.000 2.106 393 E HA -0.205 4.145 4.350 0.000 0.000 0.192 393 E C 2.283 178.911 176.600 0.047 0.000 0.984 393 E CA 1.214 57.620 56.400 0.010 0.000 0.806 393 E CB -0.177 29.506 29.700 -0.028 0.000 0.750 393 E HN 0.486 nan 8.360 nan 0.000 0.458 394 L N 0.264 121.512 121.223 0.042 0.000 2.093 394 L HA -0.143 4.197 4.340 0.000 0.000 0.208 394 L C 2.502 179.459 176.870 0.145 0.000 1.085 394 L CA 0.806 55.705 54.840 0.099 0.000 0.755 394 L CB -0.354 41.741 42.059 0.060 0.000 0.904 394 L HN 0.161 nan 8.230 nan 0.000 0.435 395 A N -0.349 122.522 122.820 0.085 0.000 1.902 395 A HA -0.262 4.059 4.320 0.000 0.000 0.217 395 A C 2.197 179.818 177.584 0.062 0.000 1.181 395 A CA 1.595 53.671 52.037 0.066 0.000 0.623 395 A CB -0.454 18.571 19.000 0.041 0.000 0.818 395 A HN 0.448 nan 8.150 nan 0.000 0.443 396 Q N -2.046 117.794 119.800 0.067 0.000 2.084 396 Q HA -0.204 4.136 4.340 0.000 0.000 0.202 396 Q C 2.003 178.050 176.000 0.078 0.000 0.978 396 Q CA 1.874 57.711 55.803 0.057 0.000 0.844 396 Q CB -0.378 28.390 28.738 0.050 0.000 0.898 396 Q HN 0.864 nan 8.270 nan 0.000 0.426 397 Y N 0.950 121.245 120.300 -0.008 0.000 2.293 397 Y HA -0.137 4.414 4.550 0.000 0.000 0.291 397 Y C 2.056 177.955 175.900 -0.001 0.000 1.137 397 Y CA 1.238 59.334 58.100 -0.007 0.000 1.202 397 Y CB 0.081 38.534 38.460 -0.010 0.000 0.990 397 Y HN -0.117 nan 8.280 nan 0.000 0.537 398 R N 0.245 120.706 120.500 -0.064 0.000 2.096 398 R HA -0.134 4.206 4.340 0.000 0.000 0.235 398 R C 1.980 178.192 176.300 -0.147 0.000 1.127 398 R CA 1.438 57.454 56.100 -0.139 0.000 0.968 398 R CB -0.089 30.211 30.300 -0.000 0.000 0.861 398 R HN 0.390 nan 8.270 nan 0.000 0.440 399 E N -0.007 120.141 120.200 -0.087 0.000 2.265 399 E HA -0.119 4.232 4.350 0.000 0.000 0.196 399 E C 1.244 177.788 176.600 -0.094 0.000 0.996 399 E CA 1.270 57.629 56.400 -0.067 0.000 0.832 399 E CB 0.213 29.894 29.700 -0.033 0.000 0.756 399 E HN 0.318 nan 8.360 nan 0.000 0.491 400 V N -2.938 116.885 119.914 -0.152 0.000 3.017 400 V HA 0.593 4.713 4.120 0.000 0.000 0.354 400 V C 0.551 176.517 176.094 -0.214 0.000 1.389 400 V CA -0.290 61.926 62.300 -0.140 0.000 1.163 400 V CB 0.081 31.854 31.823 -0.083 0.000 1.178 400 V HN 0.017 nan 8.190 nan 0.000 0.547 411 D N 1.112 121.511 120.400 -0.002 0.000 2.341 411 D HA 0.250 4.890 4.640 0.000 0.000 0.245 411 D C 1.066 177.364 176.300 -0.002 0.000 1.106 411 D CA 0.068 54.066 54.000 -0.003 0.000 0.905 411 D CB 2.437 43.234 40.800 -0.004 0.000 1.202 411 D HN 0.334 nan 8.370 nan 0.000 0.426 412 A N 2.277 125.094 122.820 -0.004 0.000 2.070 412 A HA 0.004 4.325 4.320 0.000 0.000 0.220 412 A C 2.158 179.738 177.584 -0.006 0.000 1.159 412 A CA 1.752 53.786 52.037 -0.005 0.000 0.656 412 A CB -0.701 18.294 19.000 -0.008 0.000 0.800 412 A HN 0.741 nan 8.150 nan 0.000 0.453 413 A N -0.212 122.604 122.820 -0.006 0.000 1.877 413 A HA -0.099 4.221 4.320 0.000 0.000 0.216 413 A C 2.357 179.941 177.584 -0.001 0.000 1.186 413 A CA 2.383 54.417 52.037 -0.006 0.000 0.620 413 A CB -1.085 17.912 19.000 -0.006 0.000 0.822 413 A HN 0.761 nan 8.150 nan 0.000 0.443 414 T N -3.597 110.958 114.554 0.002 0.000 3.065 414 T HA 0.096 4.446 4.350 0.000 0.000 0.252 414 T C 1.728 176.438 174.700 0.017 0.000 1.099 414 T CA 0.895 63.000 62.100 0.008 0.000 1.063 414 T CB 0.063 68.932 68.868 0.003 0.000 0.948 414 T HN 0.478 nan 8.240 nan 0.000 0.506 415 Q N 0.596 120.403 119.800 0.011 0.000 2.172 415 Q HA -0.110 4.230 4.340 0.000 0.000 0.200 415 Q C 2.428 178.438 176.000 0.016 0.000 0.964 415 Q CA 1.266 57.078 55.803 0.015 0.000 0.855 415 Q CB -0.100 28.641 28.738 0.006 0.000 0.918 415 Q HN 0.597 nan 8.270 nan 0.000 0.444 416 Q N 0.427 120.231 119.800 0.005 0.000 2.084 416 Q HA -0.145 4.196 4.340 0.000 0.000 0.202 416 Q C 1.719 177.724 176.000 0.010 0.000 0.978 416 Q CA 1.491 57.291 55.803 -0.005 0.000 0.844 416 Q CB -0.262 28.465 28.738 -0.018 0.000 0.898 416 Q HN 0.452 nan 8.270 nan 0.000 0.426 417 L N -0.374 120.869 121.223 0.033 0.000 2.083 417 L HA -0.171 4.170 4.340 0.000 0.000 0.209 417 L C 2.339 179.311 176.870 0.170 0.000 1.083 417 L CA 0.948 55.832 54.840 0.073 0.000 0.752 417 L CB -0.423 41.677 42.059 0.068 0.000 0.899 417 L HN 0.280 nan 8.230 nan 0.000 0.433 418 L N -1.223 120.109 121.223 0.180 0.000 2.072 418 L HA -0.125 4.216 4.340 0.000 0.000 0.205 418 L C 2.699 179.664 176.870 0.158 0.000 1.079 418 L CA 0.912 55.946 54.840 0.324 0.000 0.752 418 L CB -0.259 41.913 42.059 0.189 0.000 0.906 418 L HN 0.113 nan 8.230 nan 0.000 0.436 419 S N -0.577 115.152 115.700 0.048 0.000 2.356 419 S HA -0.223 4.247 4.470 0.000 0.000 0.223 419 S C 2.046 176.590 174.600 -0.094 0.000 1.032 419 S CA 1.316 59.503 58.200 -0.022 0.000 1.005 419 S CB -0.262 62.922 63.200 -0.025 0.000 0.867 419 S HN 0.242 nan 8.310 nan 0.000 0.449 420 R N 1.533 121.976 120.500 -0.095 0.000 2.083 420 R HA -0.048 4.293 4.340 0.000 0.000 0.237 420 R C 2.276 178.427 176.300 -0.248 0.000 1.137 420 R CA 1.925 57.940 56.100 -0.142 0.000 0.951 420 R CB -1.297 28.941 30.300 -0.103 0.000 0.851 420 R HN 0.387 nan 8.270 nan 0.000 0.434 421 G N -0.229 108.343 108.800 -0.379 0.000 2.421 421 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 421 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 421 G C 1.451 175.692 174.900 -1.097 0.000 1.171 421 G CA 1.331 45.833 45.100 -0.996 0.000 0.775 421 G HN 0.367 nan 8.290 nan 0.000 0.543 422 V N -1.015 118.455 119.914 -0.739 0.000 2.490 422 V HA -0.019 4.101 4.120 0.000 0.000 0.250 422 V C 2.581 178.538 176.094 -0.228 0.000 1.061 422 V CA 2.059 64.154 62.300 -0.341 0.000 1.064 422 V CB -0.596 31.172 31.823 -0.091 0.000 0.670 422 V HN 0.288 nan 8.190 nan 0.000 0.461 423 R N 0.078 120.445 120.500 -0.222 0.000 2.062 423 R HA 0.242 4.583 4.340 0.000 0.000 0.226 423 R C 2.405 178.615 176.300 -0.151 0.000 1.125 423 R CA 1.545 57.549 56.100 -0.159 0.000 0.966 423 R CB -0.483 29.725 30.300 -0.153 0.000 0.861 423 R HN 0.447 nan 8.270 nan 0.000 0.433 424 L N 0.103 121.216 121.223 -0.183 0.000 2.079 424 L HA -0.199 4.142 4.340 0.000 0.000 0.210 424 L C 2.199 178.999 176.870 -0.117 0.000 1.081 424 L CA 1.407 56.163 54.840 -0.139 0.000 0.752 424 L CB -0.790 41.182 42.059 -0.145 0.000 0.896 424 L HN 0.279 nan 8.230 nan 0.000 0.433 425 T N -0.837 113.620 114.554 -0.162 0.000 2.720 425 T HA -0.175 4.175 4.350 0.000 0.000 0.268 425 T C 1.791 176.453 174.700 -0.062 0.000 1.037 425 T CA 1.299 63.339 62.100 -0.101 0.000 1.144 425 T CB -0.141 68.659 68.868 -0.113 0.000 0.864 425 T HN 0.318 nan 8.240 nan 0.000 0.444 426 E N 1.067 121.225 120.200 -0.069 0.000 2.072 426 E HA 0.016 4.366 4.350 0.000 0.000 0.191 426 E C 2.348 178.934 176.600 -0.023 0.000 0.985 426 E CA 0.582 56.958 56.400 -0.040 0.000 0.801 426 E CB -0.492 29.185 29.700 -0.038 0.000 0.750 426 E HN 0.458 nan 8.360 nan 0.000 0.452 427 L N 0.406 121.613 121.223 -0.026 0.000 2.187 427 L HA -0.163 4.177 4.340 0.000 0.000 0.213 427 L C 2.261 179.131 176.870 0.001 0.000 1.100 427 L CA 0.810 55.649 54.840 -0.002 0.000 0.765 427 L CB -0.307 41.748 42.059 -0.007 0.000 0.904 427 L HN 0.113 nan 8.230 nan 0.000 0.437 428 L N -1.019 120.197 121.223 -0.011 0.000 2.558 428 L HA 0.003 4.344 4.340 0.000 0.000 0.225 428 L C 0.915 177.779 176.870 -0.009 0.000 1.128 428 L CA 0.136 54.972 54.840 -0.006 0.000 0.868 428 L CB -0.230 41.825 42.059 -0.007 0.000 1.006 428 L HN 0.090 nan 8.230 nan 0.000 0.454 429 K N 1.298 121.689 120.400 -0.015 0.000 2.295 429 K HA 0.282 4.602 4.320 0.000 0.000 0.270 429 K C -0.196 176.392 176.600 -0.020 0.000 1.011 429 K CA 0.094 56.366 56.287 -0.025 0.000 0.953 429 K CB 0.852 33.333 32.500 -0.032 0.000 0.956 429 K HN -0.043 nan 8.250 nan 0.000 0.477 430 Q N 0.502 120.284 119.800 -0.031 0.000 2.378 430 Q HA 0.272 4.612 4.340 0.000 0.000 0.262 430 Q C -0.876 175.095 176.000 -0.049 0.000 0.978 430 Q CA -0.514 55.271 55.803 -0.029 0.000 0.918 430 Q CB 1.603 30.328 28.738 -0.022 0.000 1.415 430 Q HN 0.809 nan 8.270 nan 0.000 0.409 431 G N 1.800 110.573 108.800 -0.046 0.000 2.653 431 G HA2 0.225 4.185 3.960 0.000 0.000 0.265 431 G HA3 0.225 4.185 3.960 0.000 0.000 0.265 431 G C -0.616 174.219 174.900 -0.109 0.000 1.237 431 G CA -0.217 44.844 45.100 -0.064 0.000 0.946 431 G HN 0.600 nan 8.290 nan 0.000 0.522 432 Q N -1.483 118.206 119.800 -0.186 0.000 2.227 432 Q HA 0.391 4.731 4.340 0.000 0.000 0.245 432 Q C -0.593 175.223 176.000 -0.306 0.000 0.926 432 Q CA -0.468 55.070 55.803 -0.442 0.000 0.895 432 Q CB 1.022 29.246 28.738 -0.856 0.000 1.230 432 Q HN 0.662 nan 8.270 nan 0.000 0.450 433 Y N -1.233 119.067 120.300 0.000 0.000 4.929 433 Y HA -0.254 4.297 4.550 0.000 0.000 0.252 433 Y C -0.002 175.891 175.900 -0.011 0.000 0.950 433 Y CA 0.280 58.375 58.100 -0.008 0.000 1.935 433 Y CB -1.448 37.005 38.460 -0.012 0.000 1.440 433 Y HN 0.363 nan 8.280 nan 0.000 0.567 434 S N 1.246 116.992 115.700 0.078 0.000 2.062 434 S HA 0.277 4.747 4.470 0.000 0.000 0.163 434 S C -2.345 172.262 174.600 0.012 0.000 1.612 434 S CA -0.940 57.285 58.200 0.041 0.000 1.251 434 S CB 0.819 64.036 63.200 0.029 0.000 1.174 434 S HN 0.044 nan 8.310 nan 0.000 0.428 435 P HA 0.136 nan 4.420 nan 0.000 0.268 435 P C -0.517 176.776 177.300 -0.012 0.000 1.204 435 P CA 0.008 63.110 63.100 0.003 0.000 0.768 435 P CB 0.440 32.149 31.700 0.014 0.000 0.842 436 M N 1.805 121.399 119.600 -0.010 0.000 2.367 436 M HA 0.466 4.946 4.480 0.000 0.000 0.339 436 M C 0.694 176.980 176.300 -0.024 0.000 1.177 436 M CA -0.771 54.517 55.300 -0.021 0.000 1.068 436 M CB 1.557 34.151 32.600 -0.010 0.000 1.602 436 M HN 0.340 nan 8.290 nan 0.000 0.457 437 A N 1.713 124.505 122.820 -0.046 0.000 2.425 437 A HA 0.139 4.459 4.320 0.000 0.000 0.242 437 A C 0.962 178.541 177.584 -0.008 0.000 1.077 437 A CA -0.354 51.653 52.037 -0.049 0.000 0.781 437 A CB 0.066 19.020 19.000 -0.078 0.000 1.020 437 A HN 0.948 nan 8.150 nan 0.000 0.494 438 I N 0.762 121.347 120.570 0.025 0.000 2.208 438 I HA -0.210 3.960 4.170 0.000 0.000 0.245 438 I C 2.478 178.608 176.117 0.021 0.000 1.097 438 I CA 2.379 63.702 61.300 0.038 0.000 1.363 438 I CB -0.332 37.706 38.000 0.063 0.000 1.051 438 I HN 0.847 nan 8.210 nan 0.000 0.413 439 E N 0.401 120.605 120.200 0.006 0.000 2.150 439 E HA -0.260 4.090 4.350 0.000 0.000 0.193 439 E C 1.801 178.391 176.600 -0.017 0.000 0.985 439 E CA 1.489 57.884 56.400 -0.007 0.000 0.814 439 E CB -0.730 28.957 29.700 -0.021 0.000 0.752 439 E HN 0.642 nan 8.360 nan 0.000 0.466 440 E N 1.036 121.220 120.200 -0.027 0.000 2.051 440 E HA -0.178 4.173 4.350 0.000 0.000 0.192 440 E C 2.370 178.974 176.600 0.007 0.000 0.991 440 E CA 1.389 57.768 56.400 -0.035 0.000 0.799 440 E CB -0.087 29.583 29.700 -0.049 0.000 0.748 440 E HN 0.391 nan 8.360 nan 0.000 0.449 441 Q N 0.299 120.110 119.800 0.018 0.000 2.030 441 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 441 Q C 2.589 178.629 176.000 0.066 0.000 0.986 441 Q CA 1.822 57.649 55.803 0.040 0.000 0.843 441 Q CB -0.413 28.346 28.738 0.034 0.000 0.904 441 Q HN 0.303 nan 8.270 nan 0.000 0.420 442 V N 0.015 119.966 119.914 0.061 0.000 2.490 442 V HA -0.189 3.931 4.120 0.000 0.000 0.250 442 V C 2.068 178.247 176.094 0.141 0.000 1.061 442 V CA 1.952 64.306 62.300 0.090 0.000 1.064 442 V CB -0.705 31.160 31.823 0.070 0.000 0.670 442 V HN 0.343 nan 8.190 nan 0.000 0.461 443 A N 0.036 122.921 122.820 0.109 0.000 1.877 443 A HA -0.119 4.202 4.320 0.000 0.000 0.216 443 A C 2.406 180.209 177.584 0.365 0.000 1.186 443 A CA 2.400 54.544 52.037 0.179 0.000 0.620 443 A CB -1.014 18.024 19.000 0.064 0.000 0.822 443 A HN 0.528 nan 8.150 nan 0.000 0.443 444 V N 0.653 120.735 119.914 0.280 0.000 2.261 444 V HA -0.255 3.865 4.120 0.000 0.000 0.246 444 V C 2.457 178.665 176.094 0.190 0.000 1.047 444 V CA 1.921 64.381 62.300 0.267 0.000 1.015 444 V CB -0.640 31.284 31.823 0.169 0.000 0.642 444 V HN 0.530 nan 8.190 nan 0.000 0.446 445 I N -0.757 119.905 120.570 0.153 0.000 2.315 445 I HA -0.240 3.930 4.170 0.000 0.000 0.248 445 I C 2.368 178.558 176.117 0.121 0.000 1.117 445 I CA 1.765 63.128 61.300 0.104 0.000 1.404 445 I CB -1.354 36.694 38.000 0.079 0.000 1.071 445 I HN 0.419 nan 8.210 nan 0.000 0.419 446 Y N 2.381 122.721 120.300 0.065 0.000 2.069 446 Y HA -0.335 4.215 4.550 0.000 0.000 0.278 446 Y C 2.672 178.625 175.900 0.088 0.000 1.175 446 Y CA 2.435 60.581 58.100 0.076 0.000 1.134 446 Y CB -0.305 38.222 38.460 0.112 0.000 0.965 446 Y HN 0.132 nan 8.280 nan 0.000 0.498 447 A N 0.050 123.033 122.820 0.272 0.000 1.940 447 A HA -0.147 4.173 4.320 0.000 0.000 0.219 447 A C 2.443 180.021 177.584 -0.011 0.000 1.176 447 A CA 1.848 53.979 52.037 0.157 0.000 0.631 447 A CB -1.723 17.237 19.000 -0.066 0.000 0.814 447 A HN 0.647 nan 8.150 nan 0.000 0.446 448 G N -0.376 108.400 108.800 -0.041 0.000 2.414 448 G HA2 -0.082 3.879 3.960 0.000 0.000 0.215 448 G HA3 -0.082 3.879 3.960 0.000 0.000 0.215 448 G C 1.537 176.347 174.900 -0.150 0.000 1.188 448 G CA 1.719 46.759 45.100 -0.099 0.000 0.783 448 G HN 1.041 nan 8.290 nan 0.000 0.537 449 V N -2.157 117.662 119.914 -0.158 0.000 3.306 449 V HA 0.285 4.405 4.120 0.000 0.000 0.264 449 V C 1.639 177.563 176.094 -0.283 0.000 1.149 449 V CA 0.666 62.855 62.300 -0.184 0.000 1.143 449 V CB -0.232 31.514 31.823 -0.129 0.000 0.767 449 V HN 0.115 nan 8.190 nan 0.000 0.476 450 R N 0.948 121.192 120.500 -0.426 0.000 2.586 450 R HA 0.420 4.760 4.340 0.000 0.000 0.306 450 R C 1.596 177.493 176.300 -0.671 0.000 1.079 450 R CA 0.425 56.177 56.100 -0.581 0.000 1.083 450 R CB -0.009 29.777 30.300 -0.857 0.000 1.306 450 R HN 0.735 nan 8.270 nan 0.000 0.567 451 G N 0.511 109.052 108.800 -0.433 0.000 2.304 451 G HA2 -0.406 3.555 3.960 0.000 0.000 0.252 451 G HA3 -0.406 3.555 3.960 0.000 0.000 0.252 451 G C 0.896 175.615 174.900 -0.301 0.000 1.014 451 G CA 0.366 45.252 45.100 -0.356 0.000 0.619 451 G HN 0.489 nan 8.290 nan 0.000 0.525 452 Y N 0.688 120.864 120.300 -0.207 0.000 2.538 452 Y HA 0.038 4.588 4.550 0.000 0.000 0.287 452 Y C 2.541 178.237 175.900 -0.340 0.000 1.157 452 Y CA 1.277 59.238 58.100 -0.231 0.000 1.338 452 Y CB -0.101 38.227 38.460 -0.220 0.000 0.970 452 Y HN 0.397 nan 8.280 nan 0.000 0.564 453 L N -1.249 119.843 121.223 -0.218 0.000 2.693 453 L HA 0.075 4.415 4.340 0.000 0.000 0.235 453 L C 1.076 177.823 176.870 -0.205 0.000 1.127 453 L CA -0.119 54.528 54.840 -0.322 0.000 0.914 453 L CB -0.030 41.820 42.059 -0.347 0.000 1.193 453 L HN 0.060 nan 8.230 nan 0.000 0.502 454 D N 1.436 121.742 120.400 -0.156 0.000 2.178 454 D HA -0.132 4.508 4.640 0.000 0.000 0.202 454 D C 1.867 178.115 176.300 -0.086 0.000 0.974 454 D CA 1.227 55.158 54.000 -0.116 0.000 0.841 454 D CB 0.251 40.985 40.800 -0.110 0.000 0.953 454 D HN 0.288 nan 8.370 nan 0.000 0.478 455 K N -0.114 120.240 120.400 -0.078 0.000 2.366 455 K HA 0.083 4.404 4.320 0.000 0.000 0.198 455 K C 0.792 177.367 176.600 -0.042 0.000 1.044 455 K CA 0.054 56.313 56.287 -0.048 0.000 0.973 455 K CB 0.332 32.816 32.500 -0.028 0.000 0.767 455 K HN 0.101 nan 8.250 nan 0.000 0.475 456 L N 1.517 122.696 121.223 -0.074 0.000 2.418 456 L HA 0.124 4.465 4.340 0.000 0.000 0.265 456 L C 0.391 177.240 176.870 -0.035 0.000 1.143 456 L CA -0.347 54.464 54.840 -0.049 0.000 0.809 456 L CB 0.579 42.565 42.059 -0.122 0.000 1.124 456 L HN 0.067 nan 8.230 nan 0.000 0.456 457 E N 2.190 122.392 120.200 0.004 0.000 2.360 457 E HA 0.058 4.409 4.350 0.000 0.000 0.269 457 E C -1.595 175.005 176.600 -0.001 0.000 1.022 457 E CA -1.556 54.847 56.400 0.005 0.000 0.887 457 E CB 1.122 30.837 29.700 0.025 0.000 0.990 457 E HN 0.351 nan 8.360 nan 0.000 0.426 458 P HA -0.226 nan 4.420 nan 0.000 0.216 458 P C 1.178 178.480 177.300 0.004 0.000 1.150 458 P CA 1.419 64.509 63.100 -0.017 0.000 0.843 458 P CB 0.133 31.824 31.700 -0.015 0.000 0.787 459 S N -1.486 114.224 115.700 0.017 0.000 2.547 459 S HA -0.058 4.413 4.470 0.000 0.000 0.235 459 S C 1.492 176.127 174.600 0.058 0.000 0.980 459 S CA 0.924 59.142 58.200 0.029 0.000 0.941 459 S CB -0.708 62.508 63.200 0.026 0.000 0.763 459 S HN 0.217 nan 8.310 nan 0.000 0.532 460 K N -0.137 120.310 120.400 0.078 0.000 2.374 460 K HA 0.359 4.679 4.320 0.000 0.000 0.202 460 K C 0.927 177.619 176.600 0.153 0.000 1.040 460 K CA -0.214 56.164 56.287 0.153 0.000 1.085 460 K CB 0.245 32.875 32.500 0.217 0.000 0.873 460 K HN 0.250 nan 8.250 nan 0.000 0.539 461 I N 1.208 121.820 120.570 0.069 0.000 2.179 461 I HA -0.215 3.955 4.170 0.000 0.000 0.242 461 I C 1.923 178.110 176.117 0.116 0.000 1.088 461 I CA 1.685 63.012 61.300 0.046 0.000 1.357 461 I CB -1.272 36.718 38.000 -0.017 0.000 1.051 461 I HN 0.086 nan 8.210 nan 0.000 0.409 462 T N 0.957 115.564 114.554 0.090 0.000 2.684 462 T HA -0.226 4.125 4.350 0.000 0.000 0.267 462 T C 2.026 176.800 174.700 0.123 0.000 1.036 462 T CA 1.535 63.687 62.100 0.087 0.000 1.148 462 T CB -0.175 68.726 68.868 0.054 0.000 0.863 462 T HN 0.265 nan 8.240 nan 0.000 0.436 463 K N -0.120 120.380 120.400 0.167 0.000 2.044 463 K HA -0.135 4.185 4.320 0.000 0.000 0.210 463 K C 2.104 178.863 176.600 0.265 0.000 1.049 463 K CA 1.512 57.941 56.287 0.237 0.000 0.927 463 K CB -0.329 32.362 32.500 0.319 0.000 0.713 463 K HN 0.367 nan 8.250 nan 0.000 0.443 464 F N 1.877 121.829 119.950 0.004 0.000 2.102 464 F HA -0.186 4.342 4.527 0.000 0.000 0.298 464 F C 2.362 178.098 175.800 -0.107 0.000 1.105 464 F CA 1.858 59.639 58.000 -0.364 0.000 1.239 464 F CB -0.259 38.377 39.000 -0.607 0.000 0.991 464 F HN 0.134 nan 8.300 nan 0.000 0.474 465 E N 0.277 120.552 120.200 0.126 0.000 2.085 465 E HA -0.287 4.063 4.350 0.000 0.000 0.194 465 E C 1.831 178.416 176.600 -0.025 0.000 0.994 465 E CA 1.934 58.388 56.400 0.089 0.000 0.801 465 E CB -0.366 29.420 29.700 0.143 0.000 0.743 465 E HN 0.622 nan 8.360 nan 0.000 0.453 466 N N 0.105 118.803 118.700 -0.002 0.000 2.058 466 N HA -0.148 4.592 4.740 0.000 0.000 0.191 466 N C 1.916 177.400 175.510 -0.044 0.000 1.037 466 N CA 1.419 54.463 53.050 -0.010 0.000 0.848 466 N CB -0.247 38.260 38.487 0.034 0.000 1.021 466 N HN 0.214 nan 8.380 nan 0.000 0.422 467 A N 0.708 123.533 122.820 0.008 0.000 1.892 467 A HA -0.223 4.097 4.320 0.000 0.000 0.218 467 A C 2.031 179.494 177.584 -0.202 0.000 1.188 467 A CA 1.401 53.491 52.037 0.088 0.000 0.631 467 A CB -1.053 18.188 19.000 0.401 0.000 0.822 467 A HN 0.433 nan 8.150 nan 0.000 0.447 468 F N -0.144 119.314 119.950 -0.819 0.000 2.134 468 F HA -0.094 4.433 4.527 0.000 0.000 0.299 468 F C 1.822 177.243 175.800 -0.631 0.000 1.097 468 F CA 1.654 58.846 58.000 -1.346 0.000 1.264 468 F CB -0.330 37.784 39.000 -1.477 0.000 1.001 468 F HN 0.199 nan 8.300 nan 0.000 0.479 469 L N 0.447 121.386 121.223 -0.474 0.000 2.044 469 L HA -0.097 4.243 4.340 0.000 0.000 0.205 469 L C 2.669 179.356 176.870 -0.305 0.000 1.075 469 L CA 2.204 56.806 54.840 -0.397 0.000 0.747 469 L CB -1.245 40.713 42.059 -0.170 0.000 0.903 469 L HN 0.295 nan 8.230 nan 0.000 0.435 470 S N -2.151 113.436 115.700 -0.190 0.000 2.500 470 S HA -0.232 4.238 4.470 0.000 0.000 0.239 470 S C 2.048 176.588 174.600 -0.100 0.000 0.989 470 S CA 1.045 59.177 58.200 -0.113 0.000 0.951 470 S CB -0.945 62.229 63.200 -0.043 0.000 0.759 470 S HN 0.690 nan 8.310 nan 0.000 0.523 471 H N 1.546 120.454 119.070 -0.271 0.000 2.355 471 H HA 0.044 4.600 4.556 0.000 0.000 0.303 471 H C 2.165 177.366 175.328 -0.212 0.000 1.061 471 H CA 1.815 57.736 56.048 -0.212 0.000 1.368 471 H CB 0.073 29.677 29.762 -0.262 0.000 1.412 471 H HN 0.424 nan 8.280 nan 0.000 0.523 472 V N -0.583 119.085 119.914 -0.411 0.000 2.667 472 V HA -0.087 4.034 4.120 0.000 0.000 0.252 472 V C 2.468 178.421 176.094 -0.237 0.000 1.065 472 V CA 1.174 63.264 62.300 -0.350 0.000 1.083 472 V CB -0.736 30.756 31.823 -0.552 0.000 0.692 472 V HN 0.247 nan 8.190 nan 0.000 0.468 473 I N 0.682 121.112 120.570 -0.234 0.000 2.286 473 I HA -0.135 4.036 4.170 0.000 0.000 0.245 473 I C 2.835 178.854 176.117 -0.164 0.000 1.104 473 I CA 1.696 62.894 61.300 -0.169 0.000 1.397 473 I CB -0.414 37.500 38.000 -0.143 0.000 1.072 473 I HN 0.336 nan 8.210 nan 0.000 0.417 474 S N -0.105 115.481 115.700 -0.190 0.000 2.371 474 S HA -0.138 4.332 4.470 0.000 0.000 0.224 474 S C 1.989 176.444 174.600 -0.243 0.000 1.029 474 S CA 1.323 59.414 58.200 -0.181 0.000 0.978 474 S CB 0.072 63.184 63.200 -0.147 0.000 0.833 474 S HN 0.353 nan 8.310 nan 0.000 0.466 475 Q N -0.458 119.120 119.800 -0.371 0.000 2.402 475 Q HA 0.198 4.538 4.340 0.000 0.000 0.231 475 Q C -0.003 175.614 176.000 -0.638 0.000 0.888 475 Q CA 0.720 56.204 55.803 -0.532 0.000 0.938 475 Q CB 0.131 28.415 28.738 -0.756 0.000 1.086 475 Q HN 0.646 nan 8.270 nan 0.000 0.543 476 H N 0.063 118.986 119.070 -0.245 0.000 2.551 476 H HA 0.260 4.816 4.556 0.000 0.000 0.238 476 H C 0.907 176.145 175.328 -0.151 0.000 1.345 476 H CA -0.160 55.782 56.048 -0.176 0.000 1.105 476 H CB 0.681 30.338 29.762 -0.176 0.000 1.805 476 H HN -0.059 nan 8.280 nan 0.000 0.553 477 Q N 0.691 120.444 119.800 -0.078 0.000 2.234 477 Q HA -0.098 4.242 4.340 0.000 0.000 0.206 477 Q C 2.109 178.080 176.000 -0.049 0.000 0.980 477 Q CA 1.209 56.969 55.803 -0.071 0.000 0.869 477 Q CB 0.110 28.799 28.738 -0.081 0.000 0.912 477 Q HN 0.676 nan 8.270 nan 0.000 0.436 478 A N 0.413 123.211 122.820 -0.036 0.000 1.968 478 A HA -0.088 4.232 4.320 0.000 0.000 0.217 478 A C 2.069 179.642 177.584 -0.018 0.000 1.169 478 A CA 0.595 52.617 52.037 -0.026 0.000 0.638 478 A CB -0.481 18.507 19.000 -0.021 0.000 0.812 478 A HN 0.342 nan 8.150 nan 0.000 0.446 479 L N -0.389 120.828 121.223 -0.009 0.000 2.044 479 L HA -0.111 4.229 4.340 0.000 0.000 0.205 479 L C 2.430 179.273 176.870 -0.044 0.000 1.075 479 L CA 1.299 56.123 54.840 -0.026 0.000 0.747 479 L CB -0.353 41.684 42.059 -0.038 0.000 0.903 479 L HN 0.423 nan 8.230 nan 0.000 0.435 480 L N -0.717 120.475 121.223 -0.052 0.000 2.046 480 L HA -0.151 4.190 4.340 0.000 0.000 0.208 480 L C 2.649 179.493 176.870 -0.042 0.000 1.077 480 L CA 1.354 56.160 54.840 -0.058 0.000 0.747 480 L CB -1.325 40.691 42.059 -0.072 0.000 0.896 480 L HN 0.328 nan 8.230 nan 0.000 0.432 481 G N 0.139 108.916 108.800 -0.038 0.000 2.440 481 G HA2 -0.328 3.632 3.960 0.000 0.000 0.218 481 G HA3 -0.328 3.632 3.960 0.000 0.000 0.218 481 G C 1.663 176.551 174.900 -0.021 0.000 1.154 481 G CA 1.012 46.095 45.100 -0.029 0.000 0.767 481 G HN 0.188 nan 8.290 nan 0.000 0.552 482 K N 0.423 120.810 120.400 -0.022 0.000 2.057 482 K HA 0.049 4.370 4.320 0.000 0.000 0.207 482 K C 2.408 178.999 176.600 -0.017 0.000 1.049 482 K CA 0.980 57.257 56.287 -0.017 0.000 0.931 482 K CB -0.430 32.060 32.500 -0.018 0.000 0.714 482 K HN 0.415 nan 8.250 nan 0.000 0.440 483 I N -0.062 120.494 120.570 -0.023 0.000 2.202 483 I HA -0.248 3.922 4.170 0.000 0.000 0.242 483 I C 2.623 178.735 176.117 -0.008 0.000 1.091 483 I CA 1.214 62.502 61.300 -0.019 0.000 1.368 483 I CB -0.284 37.698 38.000 -0.030 0.000 1.058 483 I HN 0.199 nan 8.210 nan 0.000 0.410 484 R N 0.566 121.061 120.500 -0.009 0.000 2.083 484 R HA -0.174 4.166 4.340 0.000 0.000 0.237 484 R C 2.269 178.574 176.300 0.008 0.000 1.137 484 R CA 2.295 58.397 56.100 0.004 0.000 0.951 484 R CB -0.355 29.945 30.300 -0.001 0.000 0.851 484 R HN 0.246 nan 8.270 nan 0.000 0.434 485 T N 0.820 115.375 114.554 0.001 0.000 2.701 485 T HA -0.101 4.249 4.350 0.000 0.000 0.263 485 T C 1.210 175.912 174.700 0.002 0.000 1.040 485 T CA 1.547 63.649 62.100 0.003 0.000 1.147 485 T CB -0.385 68.482 68.868 -0.002 0.000 0.865 485 T HN 0.302 nan 8.240 nan 0.000 0.426 486 D N 0.417 120.817 120.400 -0.001 0.000 2.144 486 D HA 0.022 4.662 4.640 0.000 0.000 0.199 486 D C 1.755 178.056 176.300 0.002 0.000 0.984 486 D CA 1.407 55.407 54.000 0.000 0.000 0.834 486 D CB -0.631 40.168 40.800 -0.001 0.000 0.955 486 D HN 0.525 nan 8.370 nan 0.000 0.465 487 G N 0.209 109.011 108.800 0.003 0.000 2.153 487 G HA2 -0.327 3.633 3.960 0.000 0.000 0.252 487 G HA3 -0.327 3.633 3.960 0.000 0.000 0.252 487 G C 0.426 175.330 174.900 0.006 0.000 0.994 487 G CA 0.759 45.861 45.100 0.005 0.000 0.698 487 G HN 0.477 nan 8.290 nan 0.000 0.521 488 K N -0.778 119.626 120.400 0.006 0.000 2.536 488 K HA 0.662 4.982 4.320 0.000 0.000 0.269 488 K C -0.835 175.769 176.600 0.008 0.000 0.965 488 K CA -1.186 55.106 56.287 0.010 0.000 0.860 488 K CB 1.358 33.863 32.500 0.009 0.000 1.423 488 K HN 0.065 nan 8.250 nan 0.000 0.438 489 I N 2.926 123.505 120.570 0.016 0.000 2.306 489 I HA 0.111 4.281 4.170 0.000 0.000 0.288 489 I C 0.451 176.578 176.117 0.017 0.000 1.036 489 I CA -0.420 60.887 61.300 0.011 0.000 1.221 489 I CB 1.396 39.412 38.000 0.027 0.000 1.385 489 I HN 0.541 nan 8.210 nan 0.000 0.472 490 S N 3.554 119.259 115.700 0.008 0.000 2.614 490 S HA 0.187 4.657 4.470 0.000 0.000 0.265 490 S C 1.032 175.642 174.600 0.016 0.000 1.303 490 S CA -0.370 57.837 58.200 0.012 0.000 1.000 490 S CB 1.543 64.747 63.200 0.006 0.000 0.935 490 S HN 0.696 nan 8.310 nan 0.000 0.551 491 E N 0.341 120.553 120.200 0.021 0.000 2.118 491 E HA -0.209 4.141 4.350 0.000 0.000 0.195 491 E C 1.887 178.500 176.600 0.023 0.000 0.992 491 E CA 1.601 58.017 56.400 0.027 0.000 0.804 491 E CB -0.152 29.563 29.700 0.025 0.000 0.741 491 E HN 0.869 nan 8.360 nan 0.000 0.458 492 E N -0.014 120.194 120.200 0.015 0.000 2.077 492 E HA -0.166 4.184 4.350 0.000 0.000 0.193 492 E C 1.853 178.454 176.600 0.001 0.000 0.989 492 E CA 2.032 58.438 56.400 0.010 0.000 0.800 492 E CB -0.264 29.441 29.700 0.007 0.000 0.746 492 E HN 0.033 nan 8.360 nan 0.000 0.452 493 S N 0.351 116.046 115.700 -0.008 0.000 2.387 493 S HA -0.129 4.341 4.470 0.000 0.000 0.226 493 S C 1.609 176.175 174.600 -0.057 0.000 1.026 493 S CA 0.978 59.158 58.200 -0.034 0.000 0.972 493 S CB -0.457 62.721 63.200 -0.037 0.000 0.814 493 S HN 0.463 nan 8.310 nan 0.000 0.477 494 D N 1.628 122.016 120.400 -0.020 0.000 2.117 494 D HA -0.099 4.542 4.640 0.000 0.000 0.197 494 D C 2.020 178.343 176.300 0.039 0.000 0.987 494 D CA 1.280 55.284 54.000 0.007 0.000 0.829 494 D CB -0.078 40.778 40.800 0.093 0.000 0.961 494 D HN 0.355 nan 8.370 nan 0.000 0.460 495 A N 0.624 123.471 122.820 0.045 0.000 1.930 495 A HA -0.149 4.171 4.320 0.000 0.000 0.217 495 A C 2.193 179.798 177.584 0.036 0.000 1.175 495 A CA 1.674 53.746 52.037 0.059 0.000 0.627 495 A CB -0.396 18.633 19.000 0.048 0.000 0.815 495 A HN 0.137 nan 8.150 nan 0.000 0.443 496 K N -0.594 119.806 120.400 0.001 0.000 2.026 496 K HA -0.079 4.241 4.320 0.000 0.000 0.208 496 K C 1.749 178.316 176.600 -0.056 0.000 1.048 496 K CA 1.252 57.529 56.287 -0.017 0.000 0.929 496 K CB -0.539 31.947 32.500 -0.024 0.000 0.713 496 K HN 0.282 nan 8.250 nan 0.000 0.439 497 L N 1.576 122.730 121.223 -0.114 0.000 2.043 497 L HA -0.203 4.138 4.340 0.000 0.000 0.212 497 L C 2.142 178.977 176.870 -0.058 0.000 1.075 497 L CA 1.921 56.638 54.840 -0.206 0.000 0.752 497 L CB -0.616 41.132 42.059 -0.518 0.000 0.891 497 L HN 0.231 nan 8.230 nan 0.000 0.432 498 K N -0.965 119.484 120.400 0.083 0.000 2.032 498 K HA -0.203 4.117 4.320 0.000 0.000 0.209 498 K C 2.009 178.681 176.600 0.120 0.000 1.048 498 K CA 1.493 57.929 56.287 0.249 0.000 0.927 498 K CB -0.110 32.555 32.500 0.274 0.000 0.712 498 K HN 0.320 nan 8.250 nan 0.000 0.441 499 E N 0.726 120.968 120.200 0.070 0.000 2.033 499 E HA -0.233 4.117 4.350 0.000 0.000 0.199 499 E C 2.128 178.744 176.600 0.028 0.000 1.011 499 E CA 1.746 58.176 56.400 0.050 0.000 0.815 499 E CB -0.309 29.417 29.700 0.043 0.000 0.755 499 E HN 0.400 nan 8.360 nan 0.000 0.451 500 I N 0.714 121.276 120.570 -0.013 0.000 2.163 500 I HA -0.278 3.892 4.170 0.000 0.000 0.243 500 I C 2.494 178.670 176.117 0.100 0.000 1.085 500 I CA 0.994 62.280 61.300 -0.023 0.000 1.347 500 I CB -0.319 37.529 38.000 -0.253 0.000 1.044 500 I HN -0.046 nan 8.210 nan 0.000 0.408 501 V N -0.416 119.513 119.914 0.024 0.000 2.379 501 V HA -0.221 3.899 4.120 0.000 0.000 0.245 501 V C 2.434 178.368 176.094 -0.266 0.000 1.044 501 V CA 2.241 64.462 62.300 -0.133 0.000 1.036 501 V CB -1.199 30.306 31.823 -0.531 0.000 0.664 501 V HN 0.418 nan 8.190 nan 0.000 0.453 502 T N 0.396 114.757 114.554 -0.321 0.000 2.720 502 T HA -0.215 4.135 4.350 0.000 0.000 0.268 502 T C 1.822 176.524 174.700 0.004 0.000 1.037 502 T CA 2.056 64.077 62.100 -0.133 0.000 1.144 502 T CB -0.459 68.424 68.868 0.024 0.000 0.864 502 T HN 0.556 nan 8.240 nan 0.000 0.444 503 N N -0.180 118.548 118.700 0.047 0.000 2.135 503 N HA -0.035 4.705 4.740 0.000 0.000 0.186 503 N C 1.757 177.322 175.510 0.091 0.000 1.027 503 N CA 0.939 54.036 53.050 0.078 0.000 0.849 503 N CB -0.216 38.332 38.487 0.103 0.000 1.002 503 N HN 0.292 nan 8.380 nan 0.000 0.425 504 F N 2.093 122.040 119.950 -0.006 0.000 2.134 504 F HA -0.153 4.374 4.527 0.001 0.000 0.299 504 F C 2.245 178.099 175.800 0.090 0.000 1.097 504 F CA 0.827 58.814 58.000 -0.023 0.000 1.264 504 F CB -0.332 38.655 39.000 -0.023 0.000 1.001 504 F HN -0.062 nan 8.300 nan 0.000 0.479 505 L N 1.001 122.367 121.223 0.239 0.000 1.989 505 L HA -0.132 4.208 4.340 0.000 0.000 0.211 505 L C 2.552 179.479 176.870 0.096 0.000 1.071 505 L CA 2.220 57.187 54.840 0.211 0.000 0.749 505 L CB -1.465 40.655 42.059 0.102 0.000 0.890 505 L HN 0.173 nan 8.230 nan 0.000 0.431 506 A N -0.655 122.192 122.820 0.045 0.000 1.927 506 A HA -0.195 4.126 4.320 0.000 0.000 0.220 506 A C 2.238 179.811 177.584 -0.019 0.000 1.185 506 A CA 1.935 53.984 52.037 0.021 0.000 0.639 506 A CB -1.599 17.413 19.000 0.020 0.000 0.820 506 A HN 0.585 nan 8.150 nan 0.000 0.451 507 G N -2.356 106.395 108.800 -0.082 0.000 2.777 507 G HA2 0.229 4.189 3.960 0.000 0.000 0.211 507 G HA3 0.229 4.189 3.960 0.000 0.000 0.211 507 G C 0.372 175.150 174.900 -0.204 0.000 1.149 507 G CA -0.019 44.992 45.100 -0.147 0.000 0.785 507 G HN 0.381 nan 8.290 nan 0.000 0.536 508 F N 2.095 121.824 119.950 -0.367 0.000 2.495 508 F HA 0.396 4.924 4.527 0.001 0.000 0.365 508 F C 0.332 176.061 175.800 -0.117 0.000 1.090 508 F CA -0.808 57.004 58.000 -0.313 0.000 1.235 508 F CB 0.719 39.624 39.000 -0.157 0.000 1.119 508 F HN 0.030 nan 8.300 nan 0.000 0.562 509 E N 4.297 123.960 120.200 -0.896 0.000 2.221 509 E HA 0.580 4.930 4.350 0.000 0.000 0.268 509 E C -0.060 176.007 176.600 -0.889 0.000 0.933 509 E CA -1.142 54.863 56.400 -0.658 0.000 0.809 509 E CB 1.636 31.113 29.700 -0.371 0.000 1.190 509 E HN 0.908 nan 8.360 nan 0.000 0.406 510 A N 0.000 122.576 122.820 -0.407 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.912 52.037 -0.209 0.000 0.836 510 A CB 0.000 18.939 19.000 -0.101 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486