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 1b5o_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRGLSRRVQA MKPSATVAVN AKALELRRQG VDLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE SQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS SQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.600 32.600 0.000 0.000 1.302 2 R N 1.045 121.547 120.500 0.002 0.000 2.797 2 R HA 0.988 5.328 4.340 -0.000 0.000 0.251 2 R C -0.445 175.857 176.300 0.003 0.000 1.107 2 R CA -0.476 55.626 56.100 0.004 0.000 1.084 2 R CB 1.793 32.096 30.300 0.004 0.000 1.205 2 R HN 1.195 nan 8.270 nan 0.000 0.515 3 G N 0.566 109.368 108.800 0.005 0.000 2.453 3 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.665 3 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.665 3 G C -1.042 173.862 174.900 0.006 0.000 1.411 3 G CA -1.080 44.023 45.100 0.005 0.000 0.889 3 G HN 0.351 nan 8.290 nan 0.000 0.651 4 L N 1.050 122.278 121.223 0.008 0.000 2.472 4 L HA 0.486 4.826 4.340 -0.000 0.000 0.260 4 L C 1.684 178.557 176.870 0.005 0.000 1.209 4 L CA -0.107 54.741 54.840 0.012 0.000 0.817 4 L CB 0.834 42.903 42.059 0.018 0.000 1.106 4 L HN 0.908 nan 8.230 nan 0.000 0.479 5 S N 0.738 116.440 115.700 0.004 0.000 2.603 5 S HA 0.245 4.715 4.470 -0.000 0.000 0.268 5 S C 0.951 175.536 174.600 -0.024 0.000 1.317 5 S CA -0.750 57.440 58.200 -0.016 0.000 1.012 5 S CB 1.151 64.334 63.200 -0.028 0.000 0.926 5 S HN 0.564 nan 8.310 nan 0.000 0.539 6 R N 1.253 121.728 120.500 -0.042 0.000 2.096 6 R HA -0.113 4.226 4.340 -0.000 0.000 0.235 6 R C 2.539 178.803 176.300 -0.060 0.000 1.127 6 R CA 1.614 57.688 56.100 -0.044 0.000 0.968 6 R CB -0.531 29.740 30.300 -0.049 0.000 0.861 6 R HN 0.874 nan 8.270 nan 0.000 0.440 7 R N 0.603 121.031 120.500 -0.121 0.000 2.120 7 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 7 R C 2.024 178.295 176.300 -0.047 0.000 1.123 7 R CA 1.509 57.491 56.100 -0.197 0.000 0.975 7 R CB -0.710 29.279 30.300 -0.520 0.000 0.866 7 R HN 0.092 nan 8.270 nan 0.000 0.446 8 V N 0.900 120.833 119.914 0.032 0.000 2.951 8 V HA -0.056 4.064 4.120 -0.000 0.000 0.255 8 V C 1.787 177.932 176.094 0.086 0.000 1.088 8 V CA 1.268 63.662 62.300 0.156 0.000 1.109 8 V CB -0.004 31.921 31.823 0.170 0.000 0.724 8 V HN 0.410 nan 8.190 nan 0.000 0.471 9 Q N -0.143 119.681 119.800 0.040 0.000 2.311 9 Q HA 0.088 4.428 4.340 -0.000 0.000 0.203 9 Q C 2.135 178.148 176.000 0.022 0.000 0.954 9 Q CA 1.150 56.968 55.803 0.025 0.000 0.885 9 Q CB -0.159 28.585 28.738 0.010 0.000 0.963 9 Q HN 0.692 nan 8.270 nan 0.000 0.471 10 A N 0.406 123.239 122.820 0.022 0.000 2.209 10 A HA 0.020 4.340 4.320 -0.000 0.000 0.212 10 A C 0.889 178.490 177.584 0.028 0.000 1.158 10 A CA 0.099 52.146 52.037 0.016 0.000 0.742 10 A CB -0.279 18.723 19.000 0.002 0.000 0.790 10 A HN 0.254 nan 8.150 nan 0.000 0.472 11 M N 1.427 121.056 119.600 0.047 0.000 2.303 11 M HA 0.043 4.523 4.480 -0.000 0.000 0.350 11 M C 0.540 176.846 176.300 0.011 0.000 1.518 11 M CA 0.463 55.785 55.300 0.038 0.000 1.070 11 M CB 0.338 32.966 32.600 0.046 0.000 1.910 11 M HN 0.180 nan 8.290 nan 0.000 0.458 12 K N 6.080 126.479 120.400 -0.002 0.000 2.326 12 K HA 0.295 4.615 4.320 -0.000 0.000 0.275 12 K C -2.176 174.413 176.600 -0.019 0.000 1.018 12 K CA -1.167 55.117 56.287 -0.007 0.000 0.962 12 K CB 0.601 33.098 32.500 -0.005 0.000 0.953 12 K HN 0.421 nan 8.250 nan 0.000 0.475 13 P HA 0.028 nan 4.420 nan 0.000 0.282 13 P C -0.652 176.633 177.300 -0.026 0.000 1.262 13 P CA -0.340 62.750 63.100 -0.018 0.000 0.773 13 P CB 1.204 32.900 31.700 -0.006 0.000 0.879 14 S N 2.232 117.906 115.700 -0.044 0.000 2.549 14 S HA 0.307 4.777 4.470 -0.000 0.000 0.283 14 S C 1.408 175.988 174.600 -0.033 0.000 1.320 14 S CA 0.022 58.185 58.200 -0.060 0.000 1.058 14 S CB 0.359 63.507 63.200 -0.087 0.000 0.882 14 S HN 0.523 nan 8.310 nan 0.000 0.498 15 A N 4.150 126.953 122.820 -0.029 0.000 2.072 15 A HA 0.103 4.423 4.320 -0.000 0.000 0.216 15 A C 2.088 179.675 177.584 0.004 0.000 1.156 15 A CA 1.263 53.301 52.037 0.001 0.000 0.701 15 A CB -1.005 18.010 19.000 0.025 0.000 0.816 15 A HN 0.843 nan 8.150 nan 0.000 0.458 16 T N -0.095 114.449 114.554 -0.016 0.000 2.821 16 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 16 T C 1.864 176.567 174.700 0.006 0.000 1.046 16 T CA 1.600 63.703 62.100 0.004 0.000 1.139 16 T CB -0.323 68.535 68.868 -0.016 0.000 0.871 16 T HN 0.166 nan 8.240 nan 0.000 0.454 17 V N 1.773 121.681 119.914 -0.010 0.000 2.343 17 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 17 V C 2.914 179.011 176.094 0.005 0.000 1.051 17 V CA 1.662 63.959 62.300 -0.005 0.000 1.036 17 V CB -1.221 30.592 31.823 -0.016 0.000 0.654 17 V HN 0.523 nan 8.190 nan 0.000 0.451 18 A N -0.275 122.549 122.820 0.006 0.000 1.933 18 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 18 A C 2.379 179.973 177.584 0.017 0.000 1.175 18 A CA 1.983 54.026 52.037 0.011 0.000 0.628 18 A CB -0.602 18.405 19.000 0.012 0.000 0.814 18 A HN 0.344 nan 8.150 nan 0.000 0.444 19 V N 0.872 120.800 119.914 0.023 0.000 2.358 19 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 19 V C 2.431 178.543 176.094 0.030 0.000 1.047 19 V CA 2.164 64.482 62.300 0.030 0.000 1.035 19 V CB -1.037 30.810 31.823 0.039 0.000 0.658 19 V HN 0.759 nan 8.190 nan 0.000 0.452 20 N N 0.915 119.632 118.700 0.028 0.000 2.223 20 N HA -0.147 4.593 4.740 -0.000 0.000 0.185 20 N C 1.677 177.200 175.510 0.021 0.000 1.016 20 N CA 1.707 54.773 53.050 0.027 0.000 0.863 20 N CB -0.241 38.260 38.487 0.024 0.000 0.983 20 N HN 0.420 nan 8.380 nan 0.000 0.429 21 A N 0.590 123.421 122.820 0.017 0.000 1.898 21 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 21 A C 2.148 179.741 177.584 0.016 0.000 1.181 21 A CA 1.462 53.507 52.037 0.014 0.000 0.620 21 A CB -0.667 18.339 19.000 0.011 0.000 0.819 21 A HN 0.417 nan 8.150 nan 0.000 0.442 22 K N -0.263 120.147 120.400 0.018 0.000 2.211 22 K HA -0.030 4.290 4.320 -0.000 0.000 0.203 22 K C 1.990 178.603 176.600 0.021 0.000 1.050 22 K CA 1.019 57.317 56.287 0.019 0.000 0.945 22 K CB -0.250 32.262 32.500 0.021 0.000 0.732 22 K HN 0.382 nan 8.250 nan 0.000 0.451 23 A N 1.088 123.922 122.820 0.024 0.000 1.929 23 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 23 A C 2.009 179.606 177.584 0.022 0.000 1.176 23 A CA 0.865 52.918 52.037 0.027 0.000 0.628 23 A CB -0.351 18.668 19.000 0.032 0.000 0.816 23 A HN 0.274 nan 8.150 nan 0.000 0.444 24 L N -0.051 121.183 121.223 0.019 0.000 2.109 24 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 24 L C 2.685 179.563 176.870 0.013 0.000 1.086 24 L CA 1.649 56.498 54.840 0.015 0.000 0.760 24 L CB -0.644 41.423 42.059 0.013 0.000 0.910 24 L HN 0.702 nan 8.230 nan 0.000 0.437 25 E N 0.642 120.850 120.200 0.013 0.000 2.150 25 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 25 E C 2.197 178.804 176.600 0.013 0.000 0.985 25 E CA 0.979 57.386 56.400 0.012 0.000 0.814 25 E CB -0.307 29.400 29.700 0.011 0.000 0.752 25 E HN 0.493 nan 8.360 nan 0.000 0.466 26 L N 0.464 121.696 121.223 0.015 0.000 2.109 26 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 26 L C 2.852 179.730 176.870 0.014 0.000 1.086 26 L CA 1.123 55.973 54.840 0.016 0.000 0.760 26 L CB -0.288 41.783 42.059 0.019 0.000 0.910 26 L HN 0.104 nan 8.230 nan 0.000 0.437 27 R N -0.195 120.314 120.500 0.014 0.000 2.081 27 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 27 R C 2.395 178.701 176.300 0.010 0.000 1.131 27 R CA 1.114 57.221 56.100 0.012 0.000 0.960 27 R CB -0.255 30.053 30.300 0.013 0.000 0.856 27 R HN 0.326 nan 8.270 nan 0.000 0.436 28 R N 1.049 121.555 120.500 0.009 0.000 2.105 28 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 28 R C 1.759 178.063 176.300 0.007 0.000 1.135 28 R CA 1.578 57.682 56.100 0.008 0.000 0.967 28 R CB -0.136 30.168 30.300 0.008 0.000 0.861 28 R HN 0.466 nan 8.270 nan 0.000 0.442 29 Q N -0.404 119.401 119.800 0.008 0.000 2.228 29 Q HA 0.183 4.523 4.340 -0.000 0.000 0.211 29 Q C 0.513 176.517 176.000 0.008 0.000 0.890 29 Q CA 0.444 56.251 55.803 0.008 0.000 0.953 29 Q CB 0.858 29.601 28.738 0.008 0.000 1.053 29 Q HN 0.333 nan 8.270 nan 0.000 0.471 30 G N 0.366 109.170 108.800 0.008 0.000 2.179 30 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 30 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 30 G C 0.206 175.111 174.900 0.008 0.000 0.977 30 G CA 0.128 45.232 45.100 0.007 0.000 0.641 30 G HN 0.328 nan 8.290 nan 0.000 0.533 31 V N 1.257 121.177 119.914 0.011 0.000 2.529 31 V HA 0.336 4.456 4.120 -0.000 0.000 0.292 31 V C 0.666 176.767 176.094 0.012 0.000 1.028 31 V CA 0.352 62.659 62.300 0.012 0.000 1.074 31 V CB 1.392 33.225 31.823 0.016 0.000 0.958 31 V HN 0.439 nan 8.190 nan 0.000 0.481 32 D N 5.319 125.726 120.400 0.011 0.000 2.325 32 D HA 0.398 5.038 4.640 -0.000 0.000 0.251 32 D C -0.498 175.810 176.300 0.012 0.000 1.196 32 D CA -0.034 53.971 54.000 0.009 0.000 0.866 32 D CB 0.453 41.256 40.800 0.005 0.000 1.101 32 D HN 0.428 nan 8.370 nan 0.000 0.476 33 L N 3.488 124.719 121.223 0.013 0.000 2.334 33 L HA 0.530 4.870 4.340 -0.000 0.000 0.276 33 L C -0.570 176.307 176.870 0.012 0.000 1.014 33 L CA -1.364 53.487 54.840 0.019 0.000 0.815 33 L CB 2.082 44.156 42.059 0.025 0.000 1.268 33 L HN 0.181 nan 8.230 nan 0.000 0.428 34 V N 2.140 122.061 119.914 0.011 0.000 2.347 34 V HA 0.505 4.625 4.120 -0.000 0.000 0.280 34 V C 0.316 176.419 176.094 0.015 0.000 1.021 34 V CA -0.587 61.712 62.300 -0.002 0.000 0.847 34 V CB 1.383 33.188 31.823 -0.028 0.000 0.990 34 V HN 0.829 nan 8.190 nan 0.000 0.444 35 A N 6.020 128.849 122.820 0.015 0.000 2.289 35 A HA 0.759 5.079 4.320 -0.000 0.000 0.298 35 A C -0.018 177.586 177.584 0.034 0.000 1.208 35 A CA -0.300 51.756 52.037 0.033 0.000 0.845 35 A CB 0.268 19.286 19.000 0.031 0.000 1.125 35 A HN 0.885 nan 8.150 nan 0.000 0.517 36 L N 3.277 124.537 121.223 0.063 0.000 3.168 36 L HA 0.173 4.513 4.340 -0.000 0.000 0.277 36 L C 1.217 178.152 176.870 0.109 0.000 1.308 36 L CA 0.255 55.142 54.840 0.079 0.000 0.976 36 L CB 0.261 42.383 42.059 0.104 0.000 1.383 36 L HN 0.938 nan 8.230 nan 0.000 0.572 37 T N -4.191 110.422 114.554 0.099 0.000 2.985 37 T HA 0.278 4.628 4.350 -0.000 0.000 0.254 37 T C 1.005 175.798 174.700 0.155 0.000 1.021 37 T CA 0.160 62.335 62.100 0.125 0.000 0.957 37 T CB 0.428 69.359 68.868 0.104 0.000 1.047 37 T HN 0.196 nan 8.240 nan 0.000 0.511 38 A N 1.089 123.978 122.820 0.115 0.000 2.584 38 A HA 0.502 4.822 4.320 -0.000 0.000 0.239 38 A C 1.372 179.112 177.584 0.261 0.000 1.043 38 A CA 0.287 52.392 52.037 0.113 0.000 0.756 38 A CB -0.339 18.653 19.000 -0.013 0.000 0.963 38 A HN 0.619 nan 8.150 nan 0.000 0.511 39 G N 1.642 110.629 108.800 0.311 0.000 3.575 39 G HA2 0.447 4.407 3.960 -0.000 0.000 0.273 39 G HA3 0.447 4.407 3.960 -0.000 0.000 0.273 39 G C 0.103 175.301 174.900 0.497 0.000 1.053 39 G CA 0.388 45.801 45.100 0.522 0.000 0.803 39 G HN 0.940 nan 8.290 nan 0.000 0.528 40 E N 0.025 120.397 120.200 0.287 0.000 2.390 40 E HA 0.479 4.829 4.350 -0.000 0.000 0.277 40 E C -3.200 173.379 176.600 -0.036 0.000 0.939 40 E CA -2.295 54.244 56.400 0.233 0.000 0.769 40 E CB 1.683 31.494 29.700 0.184 0.000 1.251 40 E HN -0.164 nan 8.360 nan 0.000 0.450 41 P HA -0.025 nan 4.420 nan 0.000 0.267 41 P C 0.035 177.354 177.300 0.032 0.000 1.200 41 P CA 0.083 63.205 63.100 0.038 0.000 0.772 41 P CB 0.517 32.450 31.700 0.388 0.000 0.855 42 D N 1.612 121.970 120.400 -0.070 0.000 2.289 42 D HA -0.061 4.579 4.640 -0.000 0.000 0.207 42 D C 0.359 176.608 176.300 -0.085 0.000 0.966 42 D CA 0.527 54.442 54.000 -0.141 0.000 0.868 42 D CB -0.331 40.304 40.800 -0.275 0.000 0.943 42 D HN 0.239 nan 8.370 nan 0.000 0.514 43 F N 1.644 121.674 119.950 0.133 0.000 2.450 43 F HA 0.214 4.741 4.527 -0.000 0.000 0.339 43 F C 1.250 177.173 175.800 0.204 0.000 1.146 43 F CA -0.574 57.536 58.000 0.184 0.000 1.267 43 F CB 0.382 39.552 39.000 0.283 0.000 1.178 43 F HN -0.254 nan 8.300 nan 0.000 0.585 44 D N -0.022 120.609 120.400 0.386 0.000 2.387 44 D HA 0.089 4.729 4.640 -0.000 0.000 0.251 44 D C -0.180 176.237 176.300 0.194 0.000 1.141 44 D CA -0.251 53.899 54.000 0.251 0.000 0.987 44 D CB 1.150 42.063 40.800 0.188 0.000 1.116 44 D HN 0.551 nan 8.370 nan 0.000 0.491 45 T N 0.454 115.081 114.554 0.122 0.000 2.916 45 T HA 0.274 4.624 4.350 -0.000 0.000 0.303 45 T C -2.226 172.374 174.700 -0.168 0.000 1.025 45 T CA -1.231 60.820 62.100 -0.081 0.000 1.142 45 T CB 0.820 69.669 68.868 -0.031 0.000 0.947 45 T HN 0.194 nan 8.240 nan 0.000 0.544 46 P HA 0.071 nan 4.420 nan 0.000 0.265 46 P C 0.839 178.048 177.300 -0.152 0.000 1.187 46 P CA -0.101 62.847 63.100 -0.253 0.000 0.766 46 P CB 0.661 32.156 31.700 -0.341 0.000 0.820 47 E N 1.909 122.113 120.200 0.007 0.000 2.160 47 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 47 E C 1.803 178.410 176.600 0.012 0.000 0.991 47 E CA 1.657 58.071 56.400 0.022 0.000 0.810 47 E CB -0.711 29.023 29.700 0.058 0.000 0.742 47 E HN 0.748 nan 8.360 nan 0.000 0.466 48 H N -1.358 117.659 119.070 -0.088 0.000 2.423 48 H HA 0.004 4.560 4.556 -0.000 0.000 0.297 48 H C 1.996 177.252 175.328 -0.121 0.000 1.075 48 H CA 1.158 57.149 56.048 -0.095 0.000 1.342 48 H CB -0.270 29.426 29.762 -0.109 0.000 1.395 48 H HN -0.078 nan 8.280 nan 0.000 0.530 49 V N 0.985 120.502 119.914 -0.663 0.000 2.488 49 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 49 V C 2.295 178.230 176.094 -0.266 0.000 1.046 49 V CA 1.673 63.626 62.300 -0.579 0.000 1.053 49 V CB -0.308 31.015 31.823 -0.834 0.000 0.679 49 V HN 0.368 nan 8.190 nan 0.000 0.458 50 K N -0.068 120.255 120.400 -0.128 0.000 2.057 50 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 50 K C 2.220 178.864 176.600 0.073 0.000 1.049 50 K CA 1.564 57.908 56.287 0.095 0.000 0.931 50 K CB -0.135 32.429 32.500 0.106 0.000 0.714 50 K HN 0.279 nan 8.250 nan 0.000 0.440 51 E N 1.015 121.226 120.200 0.018 0.000 2.077 51 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 51 E C 1.703 178.315 176.600 0.021 0.000 0.989 51 E CA 1.479 57.892 56.400 0.023 0.000 0.800 51 E CB -0.171 29.541 29.700 0.019 0.000 0.746 51 E HN 0.299 nan 8.360 nan 0.000 0.452 52 A N 0.429 123.252 122.820 0.006 0.000 1.972 52 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 52 A C 2.369 179.993 177.584 0.066 0.000 1.169 52 A CA 1.867 53.917 52.037 0.023 0.000 0.635 52 A CB -0.780 18.221 19.000 0.002 0.000 0.810 52 A HN 0.345 nan 8.150 nan 0.000 0.446 53 A N 0.036 122.922 122.820 0.110 0.000 1.873 53 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 53 A C 2.224 179.866 177.584 0.097 0.000 1.186 53 A CA 1.475 53.622 52.037 0.184 0.000 0.616 53 A CB -0.453 18.762 19.000 0.358 0.000 0.823 53 A HN 0.541 nan 8.150 nan 0.000 0.442 54 R N -0.684 119.857 120.500 0.068 0.000 2.091 54 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 54 R C 2.474 178.772 176.300 -0.003 0.000 1.136 54 R CA 1.577 57.693 56.100 0.027 0.000 0.959 54 R CB -0.299 30.015 30.300 0.023 0.000 0.856 54 R HN 0.475 nan 8.270 nan 0.000 0.437 55 R N 0.177 120.670 120.500 -0.012 0.000 2.081 55 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 55 R C 2.368 178.610 176.300 -0.095 0.000 1.131 55 R CA 1.347 57.416 56.100 -0.051 0.000 0.960 55 R CB -0.365 29.903 30.300 -0.054 0.000 0.856 55 R HN 0.218 nan 8.270 nan 0.000 0.436 56 A N 1.292 124.058 122.820 -0.091 0.000 1.902 56 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 56 A C 2.189 179.709 177.584 -0.107 0.000 1.181 56 A CA 1.136 53.075 52.037 -0.163 0.000 0.623 56 A CB -0.537 18.427 19.000 -0.061 0.000 0.818 56 A HN 0.184 nan 8.150 nan 0.000 0.443 57 L N -0.928 120.269 121.223 -0.044 0.000 2.017 57 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 57 L C 3.071 179.910 176.870 -0.052 0.000 1.073 57 L CA 1.257 56.076 54.840 -0.035 0.000 0.745 57 L CB -0.476 41.573 42.059 -0.017 0.000 0.894 57 L HN 0.454 nan 8.230 nan 0.000 0.432 58 A N -1.022 121.765 122.820 -0.055 0.000 2.014 58 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 58 A C 2.028 179.567 177.584 -0.075 0.000 1.163 58 A CA 1.028 53.031 52.037 -0.056 0.000 0.652 58 A CB -0.286 18.685 19.000 -0.048 0.000 0.808 58 A HN 0.502 nan 8.150 nan 0.000 0.449 59 Q N -1.206 118.529 119.800 -0.109 0.000 2.403 59 Q HA 0.231 4.571 4.340 -0.000 0.000 0.203 59 Q C 0.934 176.858 176.000 -0.126 0.000 0.932 59 Q CA 0.241 55.962 55.803 -0.136 0.000 0.945 59 Q CB 0.046 28.656 28.738 -0.213 0.000 1.045 59 Q HN 0.804 nan 8.270 nan 0.000 0.511 60 G N 2.160 110.901 108.800 -0.097 0.000 2.249 60 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.273 60 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.273 60 G C -0.175 174.680 174.900 -0.075 0.000 1.036 60 G CA 0.153 45.209 45.100 -0.074 0.000 0.824 60 G HN 0.261 nan 8.290 nan 0.000 0.504 61 K N 1.004 121.340 120.400 -0.106 0.000 2.307 61 K HA 0.328 4.648 4.320 -0.000 0.000 0.240 61 K C 1.254 177.866 176.600 0.019 0.000 1.214 61 K CA 0.568 56.811 56.287 -0.074 0.000 1.149 61 K CB 0.007 32.352 32.500 -0.259 0.000 1.668 61 K HN 0.411 nan 8.250 nan 0.000 0.314 62 T N -2.104 112.453 114.554 0.006 0.000 3.252 62 T HA 0.203 4.553 4.350 -0.000 0.000 0.286 62 T C 0.304 174.985 174.700 -0.033 0.000 1.013 62 T CA -0.695 61.404 62.100 -0.002 0.000 0.914 62 T CB 0.310 69.161 68.868 -0.028 0.000 1.131 62 T HN -0.032 nan 8.240 nan 0.000 0.529 63 K N 0.833 121.231 120.400 -0.003 0.000 2.245 63 K HA 0.462 4.782 4.320 -0.000 0.000 0.234 63 K C -0.555 176.058 176.600 0.022 0.000 1.021 63 K CA -0.939 55.323 56.287 -0.043 0.000 0.898 63 K CB 0.620 33.130 32.500 0.017 0.000 1.163 63 K HN 0.129 nan 8.250 nan 0.000 0.459 64 Y N 0.407 120.738 120.300 0.053 0.000 2.702 64 Y HA 0.109 4.659 4.550 -0.000 0.000 0.336 64 Y C 0.875 176.811 175.900 0.060 0.000 1.235 64 Y CA 0.224 58.354 58.100 0.050 0.000 1.492 64 Y CB 0.178 38.661 38.460 0.038 0.000 1.308 64 Y HN 0.550 nan 8.280 nan 0.000 0.589 65 A N 4.760 127.727 122.820 0.246 0.000 2.313 65 A HA 0.770 5.090 4.320 -0.000 0.000 0.323 65 A C -2.612 175.029 177.584 0.095 0.000 1.133 65 A CA -2.106 50.017 52.037 0.144 0.000 0.847 65 A CB 0.564 19.628 19.000 0.106 0.000 1.308 65 A HN 0.522 nan 8.150 nan 0.000 0.475 66 P HA 0.217 nan 4.420 nan 0.000 0.269 66 P C -2.043 175.268 177.300 0.019 0.000 1.215 66 P CA -0.944 62.171 63.100 0.026 0.000 0.780 66 P CB 0.138 31.847 31.700 0.015 0.000 0.898 67 P HA -0.188 nan 4.420 nan 0.000 0.216 67 P C 0.900 178.210 177.300 0.016 0.000 1.150 67 P CA 1.826 64.931 63.100 0.008 0.000 0.843 67 P CB -0.233 31.466 31.700 -0.002 0.000 0.787 68 A N -1.536 121.291 122.820 0.011 0.000 2.251 68 A HA 0.510 4.830 4.320 -0.000 0.000 0.209 68 A C 1.005 178.595 177.584 0.010 0.000 1.187 68 A CA 0.724 52.769 52.037 0.013 0.000 0.823 68 A CB -0.765 18.240 19.000 0.007 0.000 0.846 68 A HN 0.321 nan 8.150 nan 0.000 0.486 69 G N -0.366 108.435 108.800 0.002 0.000 2.539 69 G HA2 0.088 4.048 3.960 -0.000 0.000 0.686 69 G HA3 0.088 4.048 3.960 -0.000 0.000 0.686 69 G C -0.181 174.686 174.900 -0.055 0.000 1.258 69 G CA -0.565 44.521 45.100 -0.023 0.000 0.846 69 G HN 1.249 nan 8.290 nan 0.000 0.647 70 I N -0.212 120.291 120.570 -0.113 0.000 2.815 70 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 70 I C -0.353 175.674 176.117 -0.151 0.000 1.209 70 I CA -1.088 60.122 61.300 -0.150 0.000 1.431 70 I CB 0.677 38.479 38.000 -0.330 0.000 1.351 70 I HN 0.384 nan 8.210 nan 0.000 0.585 71 P HA -0.183 nan 4.420 nan 0.000 0.218 71 P C 1.052 178.288 177.300 -0.106 0.000 1.148 71 P CA 1.570 64.625 63.100 -0.074 0.000 0.822 71 P CB 0.216 31.898 31.700 -0.030 0.000 0.784 72 E N -0.068 120.038 120.200 -0.157 0.000 2.110 72 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 72 E C 2.209 178.684 176.600 -0.208 0.000 0.988 72 E CA 0.710 57.008 56.400 -0.170 0.000 0.804 72 E CB -1.028 28.536 29.700 -0.227 0.000 0.745 72 E HN 0.216 nan 8.360 nan 0.000 0.458 73 L N 0.254 121.310 121.223 -0.278 0.000 2.109 73 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 73 L C 2.142 178.899 176.870 -0.189 0.000 1.086 73 L CA 1.019 55.705 54.840 -0.257 0.000 0.760 73 L CB -0.018 41.873 42.059 -0.280 0.000 0.910 73 L HN 0.104 nan 8.230 nan 0.000 0.437 74 R N -0.280 120.139 120.500 -0.136 0.000 2.120 74 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 74 R C 1.965 178.221 176.300 -0.072 0.000 1.123 74 R CA 1.321 57.373 56.100 -0.081 0.000 0.975 74 R CB -0.155 30.116 30.300 -0.047 0.000 0.866 74 R HN 0.487 nan 8.270 nan 0.000 0.446 75 E N 0.488 120.639 120.200 -0.082 0.000 2.072 75 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 75 E C 2.034 178.583 176.600 -0.086 0.000 0.982 75 E CA 0.977 57.338 56.400 -0.064 0.000 0.803 75 E CB -0.032 29.635 29.700 -0.055 0.000 0.755 75 E HN 0.335 nan 8.360 nan 0.000 0.453 76 A N 0.935 123.678 122.820 -0.128 0.000 1.969 76 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 76 A C 2.026 179.479 177.584 -0.218 0.000 1.169 76 A CA 0.891 52.833 52.037 -0.159 0.000 0.635 76 A CB -0.273 18.617 19.000 -0.184 0.000 0.810 76 A HN 0.105 nan 8.150 nan 0.000 0.445 77 L N -0.486 120.587 121.223 -0.250 0.000 2.056 77 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 77 L C 2.936 179.713 176.870 -0.155 0.000 1.078 77 L CA 1.802 56.430 54.840 -0.354 0.000 0.749 77 L CB -1.375 40.536 42.059 -0.247 0.000 0.901 77 L HN 0.408 nan 8.230 nan 0.000 0.433 78 A N -1.111 121.706 122.820 -0.005 0.000 1.972 78 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 78 A C 2.174 179.781 177.584 0.038 0.000 1.169 78 A CA 1.324 53.411 52.037 0.083 0.000 0.635 78 A CB -0.270 18.756 19.000 0.044 0.000 0.810 78 A HN 0.389 nan 8.150 nan 0.000 0.446 79 E N -0.036 120.141 120.200 -0.038 0.000 2.046 79 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 79 E C 2.017 178.581 176.600 -0.060 0.000 0.982 79 E CA 1.080 57.455 56.400 -0.042 0.000 0.800 79 E CB -0.341 29.323 29.700 -0.059 0.000 0.756 79 E HN 0.620 nan 8.360 nan 0.000 0.449 80 K N 0.600 120.905 120.400 -0.160 0.000 2.026 80 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 80 K C 2.053 178.568 176.600 -0.142 0.000 1.048 80 K CA 0.972 57.135 56.287 -0.206 0.000 0.929 80 K CB -0.327 31.936 32.500 -0.395 0.000 0.713 80 K HN 0.009 nan 8.250 nan 0.000 0.439 81 F N 1.393 121.332 119.950 -0.019 0.000 2.171 81 F HA -0.054 4.473 4.527 -0.000 0.000 0.300 81 F C 2.806 178.600 175.800 -0.010 0.000 1.090 81 F CA 1.289 59.285 58.000 -0.007 0.000 1.293 81 F CB -0.508 38.483 39.000 -0.014 0.000 1.013 81 F HN 0.121 nan 8.300 nan 0.000 0.486 82 R N 0.237 120.831 120.500 0.157 0.000 2.055 82 R HA -0.086 4.254 4.340 -0.000 0.000 0.226 82 R C 2.536 178.871 176.300 0.059 0.000 1.135 82 R CA 1.093 57.245 56.100 0.087 0.000 0.959 82 R CB -0.209 30.125 30.300 0.057 0.000 0.854 82 R HN 0.132 nan 8.270 nan 0.000 0.431 83 R N 0.613 121.138 120.500 0.042 0.000 2.070 83 R HA -0.132 4.208 4.340 -0.000 0.000 0.233 83 R C 1.696 178.025 176.300 0.049 0.000 1.137 83 R CA 2.045 58.165 56.100 0.033 0.000 0.945 83 R CB -0.061 30.249 30.300 0.016 0.000 0.845 83 R HN 0.343 nan 8.270 nan 0.000 0.430 84 E N -0.687 119.548 120.200 0.059 0.000 2.170 84 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 84 E C 0.923 177.582 176.600 0.098 0.000 0.981 84 E CA 1.033 57.484 56.400 0.086 0.000 0.830 84 E CB 0.186 29.948 29.700 0.104 0.000 0.775 84 E HN 0.541 nan 8.360 nan 0.000 0.470 85 N N -0.832 117.931 118.700 0.105 0.000 2.184 85 N HA 0.117 4.857 4.740 -0.000 0.000 0.206 85 N C 0.564 176.082 175.510 0.014 0.000 1.151 85 N CA 0.310 53.413 53.050 0.088 0.000 0.878 85 N CB 1.641 40.228 38.487 0.166 0.000 1.014 85 N HN 0.110 nan 8.380 nan 0.000 0.512 86 G N 1.031 109.847 108.800 0.028 0.000 2.225 86 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.267 86 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.267 86 G C -0.455 174.435 174.900 -0.016 0.000 1.024 86 G CA 0.047 45.148 45.100 0.001 0.000 0.784 86 G HN 0.110 nan 8.290 nan 0.000 0.507 87 L N 1.034 122.265 121.223 0.013 0.000 2.289 87 L HA 0.584 4.924 4.340 -0.000 0.000 0.285 87 L C 0.759 177.637 176.870 0.014 0.000 1.049 87 L CA -0.361 54.474 54.840 -0.008 0.000 0.804 87 L CB 1.808 43.858 42.059 -0.015 0.000 1.195 87 L HN 0.079 nan 8.230 nan 0.000 0.428 88 S N 3.116 118.812 115.700 -0.006 0.000 2.955 88 S HA 0.481 4.951 4.470 -0.000 0.000 0.294 88 S C -0.186 174.412 174.600 -0.002 0.000 1.198 88 S CA -0.570 57.632 58.200 0.004 0.000 1.008 88 S CB -0.044 63.156 63.200 -0.000 0.000 1.279 88 S HN 0.415 nan 8.310 nan 0.000 0.508 89 V N 0.601 120.523 119.914 0.014 0.000 2.914 89 V HA 0.869 4.989 4.120 -0.000 0.000 0.314 89 V C 0.155 176.264 176.094 0.025 0.000 1.084 89 V CA -1.016 61.288 62.300 0.007 0.000 0.963 89 V CB 1.534 33.350 31.823 -0.012 0.000 1.025 89 V HN 0.569 nan 8.190 nan 0.000 0.432 90 T N 0.072 114.634 114.554 0.014 0.000 2.912 90 T HA 0.586 4.936 4.350 -0.000 0.000 0.280 90 T C -1.958 172.754 174.700 0.020 0.000 0.989 90 T CA -1.843 60.265 62.100 0.014 0.000 0.995 90 T CB 1.461 70.332 68.868 0.005 0.000 1.077 90 T HN 0.506 nan 8.240 nan 0.000 0.531 91 P HA -0.020 nan 4.420 nan 0.000 0.218 91 P C 0.993 178.298 177.300 0.008 0.000 1.148 91 P CA 0.863 63.969 63.100 0.010 0.000 0.822 91 P CB 0.017 31.715 31.700 -0.004 0.000 0.784 92 E N -0.496 119.707 120.200 0.004 0.000 2.418 92 E HA -0.104 4.246 4.350 -0.000 0.000 0.197 92 E C 0.883 177.482 176.600 -0.002 0.000 1.026 92 E CA 0.716 57.115 56.400 -0.000 0.000 0.862 92 E CB -0.595 29.103 29.700 -0.003 0.000 0.799 92 E HN 0.441 nan 8.360 nan 0.000 0.518 93 E N -0.195 120.004 120.200 -0.001 0.000 2.437 93 E HA 0.135 4.485 4.350 -0.000 0.000 0.195 93 E C -0.399 176.194 176.600 -0.012 0.000 1.029 93 E CA 0.020 56.410 56.400 -0.017 0.000 0.948 93 E CB 0.750 30.433 29.700 -0.028 0.000 1.082 93 E HN -0.078 nan 8.360 nan 0.000 0.456 94 T N 0.834 115.402 114.554 0.023 0.000 2.893 94 T HA 0.599 4.949 4.350 -0.000 0.000 0.291 94 T C -0.984 173.752 174.700 0.060 0.000 1.028 94 T CA -0.480 61.664 62.100 0.073 0.000 0.995 94 T CB 1.728 70.666 68.868 0.116 0.000 1.051 94 T HN 0.057 nan 8.240 nan 0.000 0.470 95 I N 2.065 122.694 120.570 0.097 0.000 2.692 95 I HA 0.577 4.747 4.170 -0.000 0.000 0.293 95 I C -1.455 174.739 176.117 0.128 0.000 1.200 95 I CA -0.885 60.462 61.300 0.078 0.000 1.036 95 I CB 1.709 39.736 38.000 0.045 0.000 1.258 95 I HN 0.342 nan 8.210 nan 0.000 0.421 96 V N 5.526 125.498 119.914 0.096 0.000 2.427 96 V HA 0.621 4.741 4.120 -0.000 0.000 0.286 96 V C 0.267 176.418 176.094 0.095 0.000 1.034 96 V CA -0.197 62.177 62.300 0.123 0.000 0.893 96 V CB 1.430 33.296 31.823 0.072 0.000 0.982 96 V HN 0.861 nan 8.190 nan 0.000 0.452 97 T N 0.550 115.163 114.554 0.099 0.000 2.864 97 T HA 0.568 4.918 4.350 -0.000 0.000 0.289 97 T C -0.461 174.278 174.700 0.065 0.000 1.082 97 T CA -0.770 61.374 62.100 0.072 0.000 1.009 97 T CB 1.687 70.595 68.868 0.065 0.000 1.234 97 T HN 0.176 nan 8.240 nan 0.000 0.526 98 V N 2.151 122.099 119.914 0.056 0.000 2.149 98 V HA 0.545 4.665 4.120 -0.000 0.000 0.245 98 V C 1.296 177.417 176.094 0.045 0.000 1.349 98 V CA 0.797 63.128 62.300 0.051 0.000 1.289 98 V CB -1.171 30.673 31.823 0.035 0.000 1.401 98 V HN 1.489 nan 8.190 nan 0.000 0.501 99 G N 3.638 112.461 108.800 0.039 0.000 2.758 99 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.686 99 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.686 99 G C 0.731 175.631 174.900 -0.001 0.000 1.389 99 G CA -0.340 44.770 45.100 0.018 0.000 0.845 99 G HN 0.948 nan 8.290 nan 0.000 0.572 100 G N -0.305 108.468 108.800 -0.046 0.000 2.471 100 G HA2 0.158 4.118 3.960 -0.000 0.000 0.219 100 G HA3 0.158 4.118 3.960 -0.000 0.000 0.219 100 G C 2.180 177.121 174.900 0.069 0.000 1.125 100 G CA 1.972 47.044 45.100 -0.048 0.000 0.775 100 G HN 2.053 nan 8.290 nan 0.000 0.548 101 S N -0.144 115.639 115.700 0.138 0.000 2.383 101 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 101 S C 2.123 176.841 174.600 0.197 0.000 1.026 101 S CA 1.437 59.790 58.200 0.255 0.000 0.981 101 S CB -0.324 63.036 63.200 0.266 0.000 0.818 101 S HN 0.478 nan 8.310 nan 0.000 0.472 102 Q N 0.878 120.752 119.800 0.122 0.000 2.297 102 Q HA 0.100 4.440 4.340 -0.000 0.000 0.204 102 Q C 2.191 178.284 176.000 0.155 0.000 0.962 102 Q CA 0.876 56.760 55.803 0.134 0.000 0.879 102 Q CB -0.398 28.382 28.738 0.071 0.000 0.947 102 Q HN 0.733 nan 8.270 nan 0.000 0.462 103 A N 0.749 123.625 122.820 0.094 0.000 1.873 103 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 103 A C 1.982 179.563 177.584 -0.005 0.000 1.186 103 A CA 0.956 53.016 52.037 0.039 0.000 0.616 103 A CB -0.601 18.407 19.000 0.014 0.000 0.823 103 A HN 0.411 nan 8.150 nan 0.000 0.442 104 L N -2.138 119.111 121.223 0.044 0.000 2.056 104 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 104 L C 2.462 179.331 176.870 -0.001 0.000 1.078 104 L CA 1.553 56.371 54.840 -0.036 0.000 0.749 104 L CB -0.511 41.693 42.059 0.242 0.000 0.901 104 L HN 0.510 nan 8.230 nan 0.000 0.433 105 F N 1.355 121.349 119.950 0.073 0.000 2.075 105 F HA -0.242 4.285 4.527 -0.000 0.000 0.297 105 F C 2.352 178.196 175.800 0.072 0.000 1.113 105 F CA 1.794 59.871 58.000 0.128 0.000 1.218 105 F CB -0.275 38.769 39.000 0.074 0.000 0.984 105 F HN 0.093 nan 8.300 nan 0.000 0.472 106 N N 0.800 119.587 118.700 0.145 0.000 2.149 106 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 106 N C 2.033 177.470 175.510 -0.121 0.000 1.019 106 N CA 1.374 54.434 53.050 0.016 0.000 0.857 106 N CB -0.714 37.820 38.487 0.079 0.000 0.997 106 N HN 0.439 nan 8.380 nan 0.000 0.426 107 L N -0.557 120.544 121.223 -0.203 0.000 1.994 107 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 107 L C 1.623 178.302 176.870 -0.319 0.000 1.071 107 L CA 1.379 56.018 54.840 -0.334 0.000 0.745 107 L CB -0.221 41.528 42.059 -0.516 0.000 0.892 107 L HN -0.034 nan 8.230 nan 0.000 0.431 108 F N -0.102 119.772 119.950 -0.125 0.000 2.171 108 F HA -0.203 4.324 4.527 -0.000 0.000 0.300 108 F C 2.758 178.458 175.800 -0.167 0.000 1.090 108 F CA 0.927 58.848 58.000 -0.132 0.000 1.293 108 F CB -0.853 38.079 39.000 -0.114 0.000 1.013 108 F HN 0.164 nan 8.300 nan 0.000 0.486 109 Q N -0.155 119.585 119.800 -0.100 0.000 2.226 109 Q HA -0.077 4.263 4.340 -0.000 0.000 0.204 109 Q C 2.423 178.382 176.000 -0.068 0.000 0.975 109 Q CA 1.359 57.078 55.803 -0.139 0.000 0.866 109 Q CB -0.687 27.898 28.738 -0.255 0.000 0.915 109 Q HN 0.436 nan 8.270 nan 0.000 0.440 110 A N 0.612 123.386 122.820 -0.077 0.000 2.021 110 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 110 A C 1.857 179.412 177.584 -0.048 0.000 1.163 110 A CA 0.769 52.767 52.037 -0.066 0.000 0.676 110 A CB -0.168 18.774 19.000 -0.096 0.000 0.818 110 A HN 0.443 nan 8.150 nan 0.000 0.453 111 I N -4.182 116.368 120.570 -0.034 0.000 4.288 111 I HA 0.390 4.560 4.170 -0.000 0.000 0.331 111 I C -0.300 175.868 176.117 0.084 0.000 1.322 111 I CA -0.220 61.094 61.300 0.023 0.000 1.149 111 I CB 0.205 38.190 38.000 -0.025 0.000 1.112 111 I HN -0.093 nan 8.210 nan 0.000 0.403 112 L N 2.756 124.022 121.223 0.072 0.000 2.295 112 L HA 0.546 4.886 4.340 -0.000 0.000 0.285 112 L C -0.857 176.027 176.870 0.022 0.000 1.035 112 L CA -0.352 54.523 54.840 0.060 0.000 0.806 112 L CB 1.139 43.233 42.059 0.058 0.000 1.214 112 L HN 0.078 nan 8.230 nan 0.000 0.426 113 D N 2.988 123.398 120.400 0.017 0.000 2.299 113 D HA 0.378 5.018 4.640 -0.000 0.000 0.243 113 D C -2.441 173.851 176.300 -0.012 0.000 0.982 113 D CA -1.539 52.461 54.000 0.001 0.000 0.924 113 D CB 2.060 42.865 40.800 0.008 0.000 1.238 113 D HN 0.156 nan 8.370 nan 0.000 0.484 114 P HA 0.120 nan 4.420 nan 0.000 0.262 114 P C 0.732 178.017 177.300 -0.025 0.000 1.182 114 P CA 0.824 63.904 63.100 -0.032 0.000 0.761 114 P CB 0.547 32.226 31.700 -0.035 0.000 0.795 115 G N 2.441 111.223 108.800 -0.030 0.000 2.279 115 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.223 115 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.223 115 G C 0.011 174.897 174.900 -0.024 0.000 1.015 115 G CA -0.378 44.707 45.100 -0.026 0.000 0.621 115 G HN 0.495 nan 8.290 nan 0.000 0.506 116 D N 2.083 122.472 120.400 -0.018 0.000 2.472 116 D HA 0.422 5.062 4.640 -0.000 0.000 0.237 116 D C 0.677 176.956 176.300 -0.034 0.000 1.141 116 D CA 0.608 54.601 54.000 -0.011 0.000 0.875 116 D CB 0.666 41.474 40.800 0.014 0.000 1.192 116 D HN 0.596 nan 8.370 nan 0.000 0.450 117 E N 0.214 120.388 120.200 -0.044 0.000 2.204 117 E HA 0.512 4.862 4.350 -0.000 0.000 0.276 117 E C -0.798 175.746 176.600 -0.093 0.000 0.974 117 E CA -0.877 55.479 56.400 -0.074 0.000 0.815 117 E CB 1.987 31.638 29.700 -0.081 0.000 1.119 117 E HN 0.043 nan 8.360 nan 0.000 0.393 118 V N 4.038 123.885 119.914 -0.111 0.000 2.525 118 V HA 0.299 4.419 4.120 -0.000 0.000 0.299 118 V C -0.345 175.676 176.094 -0.123 0.000 1.034 118 V CA -0.651 61.580 62.300 -0.116 0.000 0.863 118 V CB 1.372 33.113 31.823 -0.137 0.000 0.999 118 V HN 0.592 nan 8.190 nan 0.000 0.423 119 I N 5.293 125.783 120.570 -0.133 0.000 2.396 119 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 119 I C -0.261 175.832 176.117 -0.040 0.000 1.056 119 I CA -0.178 61.066 61.300 -0.093 0.000 1.365 119 I CB 1.220 39.147 38.000 -0.121 0.000 1.407 119 I HN 0.268 nan 8.210 nan 0.000 0.509 120 V N 7.390 127.302 119.914 -0.004 0.000 2.715 120 V HA 0.447 4.567 4.120 -0.000 0.000 0.310 120 V C -0.023 176.178 176.094 0.180 0.000 1.054 120 V CA -0.765 61.569 62.300 0.056 0.000 0.928 120 V CB 2.179 33.979 31.823 -0.039 0.000 1.007 120 V HN 0.455 nan 8.190 nan 0.000 0.437 121 L N 3.736 125.114 121.223 0.259 0.000 2.272 121 L HA 0.568 4.908 4.340 -0.000 0.000 0.289 121 L C 0.359 177.440 176.870 0.353 0.000 1.032 121 L CA -0.217 54.782 54.840 0.264 0.000 0.810 121 L CB 1.663 43.855 42.059 0.223 0.000 1.205 121 L HN 0.785 nan 8.230 nan 0.000 0.422 122 S N 2.768 118.622 115.700 0.255 0.000 2.578 122 S HA 0.627 5.097 4.470 -0.000 0.000 0.283 122 S C -2.628 171.982 174.600 0.017 0.000 1.195 122 S CA -1.677 56.553 58.200 0.050 0.000 1.050 122 S CB 1.423 64.579 63.200 -0.072 0.000 1.012 122 S HN 0.278 nan 8.310 nan 0.000 0.511 123 P HA 0.267 nan 4.420 nan 0.000 0.271 123 P C -1.063 176.179 177.300 -0.096 0.000 1.216 123 P CA -0.088 62.835 63.100 -0.294 0.000 0.771 123 P CB 0.007 31.473 31.700 -0.391 0.000 0.864 124 Y N 0.030 120.419 120.300 0.148 0.000 2.598 124 Y HA 0.620 5.170 4.550 -0.000 0.000 0.340 124 Y C -0.646 175.409 175.900 0.258 0.000 1.038 124 Y CA -2.312 55.936 58.100 0.248 0.000 1.100 124 Y CB 0.111 38.762 38.460 0.317 0.000 1.281 124 Y HN 0.346 nan 8.280 nan 0.000 0.488 125 W N 2.886 124.262 121.300 0.126 0.000 2.251 125 W HA 0.329 4.989 4.660 -0.000 0.000 0.327 125 W C 0.682 177.079 176.519 -0.204 0.000 1.361 125 W CA -0.762 56.497 57.345 -0.143 0.000 1.234 125 W CB 0.866 29.971 29.460 -0.592 0.000 1.212 125 W HN 0.569 nan 8.180 nan 0.000 0.557 126 V N 4.234 123.831 119.914 -0.529 0.000 2.370 126 V HA -0.377 3.743 4.120 -0.000 0.000 0.252 126 V C 2.150 177.868 176.094 -0.628 0.000 1.068 126 V CA 2.611 64.547 62.300 -0.606 0.000 1.061 126 V CB -1.260 30.108 31.823 -0.758 0.000 0.656 126 V HN 0.744 nan 8.190 nan 0.000 0.455 127 S N -1.566 113.495 115.700 -1.065 0.000 2.447 127 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 127 S C 1.777 176.197 174.600 -0.300 0.000 1.006 127 S CA 0.997 58.727 58.200 -0.784 0.000 0.957 127 S CB -0.372 62.101 63.200 -1.212 0.000 0.773 127 S HN 0.604 nan 8.310 nan 0.000 0.507 128 Y N 1.483 121.679 120.300 -0.175 0.000 2.070 128 Y HA -0.064 4.486 4.550 -0.000 0.000 0.280 128 Y C -0.380 175.350 175.900 -0.284 0.000 1.148 128 Y CA 0.382 58.426 58.100 -0.094 0.000 1.125 128 Y CB -2.382 36.060 38.460 -0.031 0.000 0.975 128 Y HN 0.263 nan 8.280 nan 0.000 0.492 129 P HA -0.115 nan 4.420 nan 0.000 0.217 129 P C 1.250 178.446 177.300 -0.173 0.000 1.150 129 P CA 1.917 64.860 63.100 -0.261 0.000 0.832 129 P CB -0.023 31.483 31.700 -0.323 0.000 0.787 130 E N -0.709 119.404 120.200 -0.144 0.000 2.031 130 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 130 E C 2.020 178.614 176.600 -0.009 0.000 0.994 130 E CA 1.319 57.674 56.400 -0.076 0.000 0.800 130 E CB -0.554 29.076 29.700 -0.117 0.000 0.752 130 E HN 0.254 nan 8.360 nan 0.000 0.447 131 M N 0.444 120.031 119.600 -0.021 0.000 2.117 131 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 131 M C 2.481 178.698 176.300 -0.138 0.000 1.065 131 M CA 1.136 56.473 55.300 0.062 0.000 1.114 131 M CB -0.195 32.556 32.600 0.250 0.000 1.361 131 M HN 0.001 nan 8.290 nan 0.000 0.408 132 V N 0.264 119.920 119.914 -0.431 0.000 2.295 132 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 132 V C 2.298 178.267 176.094 -0.208 0.000 1.049 132 V CA 1.872 63.860 62.300 -0.521 0.000 1.024 132 V CB -0.703 30.788 31.823 -0.553 0.000 0.648 132 V HN 0.433 nan 8.190 nan 0.000 0.447 133 R N -1.237 119.193 120.500 -0.117 0.000 2.092 133 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 133 R C 2.197 178.507 176.300 0.017 0.000 1.119 133 R CA 1.535 57.606 56.100 -0.047 0.000 0.970 133 R CB -0.422 29.860 30.300 -0.030 0.000 0.864 133 R HN 0.488 nan 8.270 nan 0.000 0.440 134 F N 0.981 120.894 119.950 -0.061 0.000 2.333 134 F HA -0.089 4.438 4.527 -0.000 0.000 0.300 134 F C 1.840 177.620 175.800 -0.033 0.000 1.083 134 F CA 1.140 59.134 58.000 -0.009 0.000 1.395 134 F CB 0.097 39.142 39.000 0.074 0.000 1.056 134 F HN -0.042 nan 8.300 nan 0.000 0.529 135 A N -0.699 122.142 122.820 0.035 0.000 2.307 135 A HA 0.453 4.773 4.320 -0.000 0.000 0.218 135 A C 1.695 179.234 177.584 -0.074 0.000 1.228 135 A CA 0.567 52.579 52.037 -0.041 0.000 0.857 135 A CB -1.111 17.877 19.000 -0.020 0.000 0.897 135 A HN 0.771 nan 8.150 nan 0.000 0.495 136 G N -1.539 107.206 108.800 -0.090 0.000 2.143 136 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.249 136 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.249 136 G C 0.676 175.536 174.900 -0.067 0.000 0.981 136 G CA 0.298 45.349 45.100 -0.082 0.000 0.665 136 G HN 1.337 nan 8.290 nan 0.000 0.528 137 G N -1.361 107.392 108.800 -0.079 0.000 2.528 137 G HA2 0.643 4.603 3.960 -0.000 0.000 0.289 137 G HA3 0.643 4.603 3.960 -0.000 0.000 0.289 137 G C -0.241 174.606 174.900 -0.089 0.000 1.192 137 G CA -0.028 45.022 45.100 -0.085 0.000 0.921 137 G HN 0.928 nan 8.290 nan 0.000 0.512 138 V N 0.499 120.363 119.914 -0.083 0.000 2.384 138 V HA 0.269 4.389 4.120 -0.000 0.000 0.287 138 V C 0.122 176.161 176.094 -0.092 0.000 1.020 138 V CA -0.656 61.599 62.300 -0.075 0.000 0.850 138 V CB 1.486 33.276 31.823 -0.055 0.000 0.987 138 V HN 0.477 nan 8.190 nan 0.000 0.436 139 V N 6.041 125.900 119.914 -0.092 0.000 2.488 139 V HA 0.298 4.418 4.120 -0.000 0.000 0.277 139 V C 0.031 176.089 176.094 -0.060 0.000 1.046 139 V CA -0.178 62.062 62.300 -0.101 0.000 0.986 139 V CB 1.550 33.303 31.823 -0.117 0.000 0.989 139 V HN 0.610 nan 8.190 nan 0.000 0.475 140 V N 5.128 125.007 119.914 -0.059 0.000 2.376 140 V HA 0.352 4.472 4.120 -0.000 0.000 0.287 140 V C 0.051 176.145 176.094 -0.001 0.000 1.015 140 V CA -0.596 61.686 62.300 -0.031 0.000 0.834 140 V CB 1.518 33.309 31.823 -0.054 0.000 1.001 140 V HN 0.941 nan 8.190 nan 0.000 0.428 141 E N 3.880 124.107 120.200 0.046 0.000 2.249 141 E HA 0.604 4.954 4.350 -0.000 0.000 0.280 141 E C -1.493 175.162 176.600 0.092 0.000 1.016 141 E CA -0.393 56.071 56.400 0.107 0.000 0.830 141 E CB 1.886 31.696 29.700 0.183 0.000 1.081 141 E HN 0.461 nan 8.360 nan 0.000 0.395 142 V N 4.812 124.789 119.914 0.105 0.000 2.487 142 V HA 0.179 4.299 4.120 -0.000 0.000 0.298 142 V C -0.448 175.710 176.094 0.107 0.000 1.028 142 V CA -0.805 61.544 62.300 0.082 0.000 0.860 142 V CB 1.624 33.481 31.823 0.056 0.000 0.991 142 V HN 0.763 nan 8.190 nan 0.000 0.427 143 E N 2.452 122.708 120.200 0.093 0.000 2.266 143 E HA 0.606 4.956 4.350 -0.000 0.000 0.277 143 E C -0.328 176.326 176.600 0.090 0.000 1.018 143 E CA -0.622 55.839 56.400 0.102 0.000 0.840 143 E CB 1.592 31.352 29.700 0.099 0.000 1.082 143 E HN 0.653 nan 8.360 nan 0.000 0.395 144 T N 1.099 115.729 114.554 0.127 0.000 2.859 144 T HA 0.526 4.876 4.350 -0.000 0.000 0.281 144 T C -0.007 174.775 174.700 0.137 0.000 1.005 144 T CA -0.962 61.215 62.100 0.128 0.000 1.025 144 T CB 0.675 69.657 68.868 0.190 0.000 0.977 144 T HN 0.424 nan 8.240 nan 0.000 0.458 145 L N 3.418 124.636 121.223 -0.009 0.000 2.334 145 L HA 0.394 4.734 4.340 -0.000 0.000 0.275 145 L C -1.677 174.863 176.870 -0.550 0.000 1.036 145 L CA -2.814 51.932 54.840 -0.157 0.000 0.807 145 L CB 1.983 43.980 42.059 -0.103 0.000 1.231 145 L HN 0.407 nan 8.230 nan 0.000 0.438 146 P HA -0.163 nan 4.420 nan 0.000 0.217 146 P C 1.062 178.054 177.300 -0.515 0.000 1.150 146 P CA 0.938 63.365 63.100 -1.123 0.000 0.832 146 P CB 0.146 31.521 31.700 -0.540 0.000 0.787 147 E N 0.464 120.492 120.200 -0.287 0.000 2.409 147 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 147 E C 0.724 177.241 176.600 -0.138 0.000 1.024 147 E CA 1.102 57.407 56.400 -0.158 0.000 0.861 147 E CB -0.645 28.998 29.700 -0.095 0.000 0.788 147 E HN 0.414 nan 8.360 nan 0.000 0.521 148 E N 0.174 120.267 120.200 -0.177 0.000 2.558 148 E HA 0.229 4.579 4.350 -0.000 0.000 0.205 148 E C 0.436 176.976 176.600 -0.100 0.000 1.006 148 E CA 0.102 56.435 56.400 -0.112 0.000 0.961 148 E CB 0.760 30.407 29.700 -0.087 0.000 1.044 148 E HN 0.389 nan 8.360 nan 0.000 0.465 149 G N 1.196 109.898 108.800 -0.163 0.000 2.179 149 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 149 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 149 G C 0.369 175.329 174.900 0.100 0.000 1.010 149 G CA 0.221 45.289 45.100 -0.053 0.000 0.736 149 G HN 0.382 nan 8.290 nan 0.000 0.513 150 F N -3.613 116.350 119.950 0.022 0.000 3.084 150 F HA -0.227 4.300 4.527 -0.000 0.000 0.286 150 F C 1.099 176.923 175.800 0.041 0.000 0.855 150 F CA 0.720 58.738 58.000 0.030 0.000 1.091 150 F CB -1.892 37.132 39.000 0.040 0.000 1.177 150 F HN 0.332 nan 8.300 nan 0.000 0.542 151 V N 2.317 122.285 119.914 0.090 0.000 2.439 151 V HA 0.369 4.489 4.120 -0.000 0.000 0.282 151 V C -1.325 174.649 176.094 -0.199 0.000 1.039 151 V CA -1.594 60.632 62.300 -0.124 0.000 0.913 151 V CB 1.418 33.206 31.823 -0.058 0.000 0.983 151 V HN -0.116 nan 8.190 nan 0.000 0.460 152 P HA 0.100 nan 4.420 nan 0.000 0.269 152 P C -1.010 176.209 177.300 -0.135 0.000 1.209 152 P CA -0.153 62.824 63.100 -0.206 0.000 0.776 152 P CB 0.867 32.423 31.700 -0.241 0.000 0.876 153 D N 2.812 123.171 120.400 -0.068 0.000 2.373 153 D HA 0.228 4.868 4.640 -0.000 0.000 0.227 153 D C -1.722 174.563 176.300 -0.026 0.000 1.091 153 D CA -2.593 51.381 54.000 -0.044 0.000 0.840 153 D CB 0.954 41.738 40.800 -0.027 0.000 1.060 153 D HN 0.013 nan 8.370 nan 0.000 0.502 154 P HA -0.149 nan 4.420 nan 0.000 0.217 154 P C 0.962 178.269 177.300 0.011 0.000 1.148 154 P CA 0.896 63.997 63.100 0.001 0.000 0.828 154 P CB 0.466 32.167 31.700 0.001 0.000 0.783 155 E N -0.747 119.456 120.200 0.004 0.000 2.150 155 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 155 E C 2.050 178.653 176.600 0.006 0.000 0.985 155 E CA 0.933 57.337 56.400 0.007 0.000 0.814 155 E CB -0.377 29.325 29.700 0.003 0.000 0.752 155 E HN 0.336 nan 8.360 nan 0.000 0.466 156 R N 0.206 120.708 120.500 0.003 0.000 2.148 156 R HA -0.004 4.336 4.340 -0.000 0.000 0.223 156 R C 2.338 178.642 176.300 0.006 0.000 1.088 156 R CA 0.670 56.774 56.100 0.006 0.000 0.985 156 R CB -0.050 30.255 30.300 0.008 0.000 0.880 156 R HN 0.025 nan 8.270 nan 0.000 0.451 157 V N 0.957 120.877 119.914 0.010 0.000 2.453 157 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 157 V C 2.491 178.583 176.094 -0.003 0.000 1.048 157 V CA 1.276 63.583 62.300 0.012 0.000 1.049 157 V CB -0.560 31.284 31.823 0.035 0.000 0.672 157 V HN 0.244 nan 8.190 nan 0.000 0.457 158 R N 0.824 121.325 120.500 0.002 0.000 2.105 158 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 158 R C 2.414 178.684 176.300 -0.051 0.000 1.135 158 R CA 1.567 57.651 56.100 -0.026 0.000 0.967 158 R CB -0.284 30.022 30.300 0.010 0.000 0.861 158 R HN 0.473 nan 8.270 nan 0.000 0.442 159 R N -0.478 120.007 120.500 -0.025 0.000 2.193 159 R HA -0.058 4.282 4.340 -0.000 0.000 0.229 159 R C 1.882 178.160 176.300 -0.036 0.000 1.110 159 R CA 1.147 57.233 56.100 -0.023 0.000 0.988 159 R CB -0.133 30.162 30.300 -0.008 0.000 0.871 159 R HN 0.159 nan 8.270 nan 0.000 0.458 160 A N 0.761 123.553 122.820 -0.046 0.000 2.251 160 A HA 0.157 4.477 4.320 -0.000 0.000 0.209 160 A C 0.822 178.345 177.584 -0.101 0.000 1.187 160 A CA -0.102 51.900 52.037 -0.059 0.000 0.823 160 A CB 0.104 19.075 19.000 -0.048 0.000 0.846 160 A HN 0.070 nan 8.150 nan 0.000 0.486 161 I N 1.786 122.280 120.570 -0.127 0.000 2.416 161 I HA 0.264 4.434 4.170 -0.000 0.000 0.288 161 I C 0.758 176.806 176.117 -0.114 0.000 1.051 161 I CA 0.061 61.256 61.300 -0.176 0.000 1.375 161 I CB 1.328 39.154 38.000 -0.289 0.000 1.407 161 I HN 0.328 nan 8.210 nan 0.000 0.516 162 T N 2.386 116.888 114.554 -0.086 0.000 2.838 162 T HA 0.440 4.790 4.350 -0.000 0.000 0.292 162 T C -2.319 172.379 174.700 -0.003 0.000 1.113 162 T CA -1.713 60.366 62.100 -0.035 0.000 1.008 162 T CB 1.754 70.600 68.868 -0.036 0.000 1.259 162 T HN 0.187 nan 8.240 nan 0.000 0.520 163 P HA 0.084 nan 4.420 nan 0.000 0.225 163 P C 1.193 178.509 177.300 0.026 0.000 1.148 163 P CA 0.489 63.611 63.100 0.037 0.000 0.779 163 P CB 0.142 31.859 31.700 0.029 0.000 0.780 164 R N -1.630 118.871 120.500 0.001 0.000 2.317 164 R HA 0.143 4.483 4.340 -0.000 0.000 0.208 164 R C 0.289 176.573 176.300 -0.026 0.000 0.914 164 R CA 0.387 56.482 56.100 -0.007 0.000 1.060 164 R CB -0.873 29.416 30.300 -0.018 0.000 1.015 164 R HN 0.180 nan 8.270 nan 0.000 0.498 165 T N 2.003 116.524 114.554 -0.055 0.000 2.829 165 T HA 0.060 4.410 4.350 -0.000 0.000 0.293 165 T C 1.197 175.853 174.700 -0.074 0.000 0.970 165 T CA 0.262 62.273 62.100 -0.149 0.000 1.168 165 T CB 1.400 70.059 68.868 -0.348 0.000 0.911 165 T HN -0.118 nan 8.240 nan 0.000 0.535 166 K N 1.009 121.379 120.400 -0.051 0.000 2.350 166 K HA 0.439 4.759 4.320 -0.000 0.000 0.196 166 K C 0.583 177.291 176.600 0.180 0.000 1.084 166 K CA 0.231 56.573 56.287 0.093 0.000 0.967 166 K CB 0.749 33.322 32.500 0.123 0.000 0.950 166 K HN 0.744 nan 8.250 nan 0.000 0.512 167 A N 0.656 123.496 122.820 0.033 0.000 2.610 167 A HA 0.609 4.929 4.320 -0.000 0.000 0.291 167 A C -2.064 175.488 177.584 -0.053 0.000 1.086 167 A CA -0.705 51.417 52.037 0.142 0.000 0.677 167 A CB 1.263 20.432 19.000 0.282 0.000 1.278 167 A HN 0.046 nan 8.150 nan 0.000 0.414 168 L N 1.009 122.295 121.223 0.105 0.000 2.406 168 L HA 0.720 5.060 4.340 -0.000 0.000 0.272 168 L C -1.367 175.570 176.870 0.112 0.000 0.980 168 L CA -0.385 54.498 54.840 0.072 0.000 0.831 168 L CB 1.865 44.044 42.059 0.200 0.000 1.253 168 L HN 0.501 nan 8.230 nan 0.000 0.406 169 V N 5.831 125.769 119.914 0.040 0.000 2.407 169 V HA 0.596 4.716 4.120 -0.000 0.000 0.278 169 V C -0.232 175.882 176.094 0.033 0.000 1.037 169 V CA -0.515 61.768 62.300 -0.028 0.000 0.900 169 V CB 1.476 33.147 31.823 -0.254 0.000 0.983 169 V HN 0.560 nan 8.190 nan 0.000 0.459 170 V N 4.710 124.672 119.914 0.079 0.000 2.604 170 V HA 0.493 4.613 4.120 -0.000 0.000 0.305 170 V C -0.126 176.063 176.094 0.157 0.000 1.043 170 V CA -0.696 61.718 62.300 0.190 0.000 0.888 170 V CB 1.945 33.908 31.823 0.233 0.000 0.995 170 V HN 0.942 nan 8.190 nan 0.000 0.429 171 N N 2.279 121.095 118.700 0.194 0.000 2.617 171 N HA 0.392 5.132 4.740 -0.000 0.000 0.263 171 N C -1.405 174.043 175.510 -0.104 0.000 1.074 171 N CA 0.041 53.161 53.050 0.118 0.000 0.841 171 N CB 1.312 39.964 38.487 0.275 0.000 1.221 171 N HN 0.646 nan 8.380 nan 0.000 0.529 172 S N 3.735 119.341 115.700 -0.157 0.000 2.672 172 S HA 0.505 4.975 4.470 -0.000 0.000 0.291 172 S C -2.838 171.746 174.600 -0.028 0.000 1.145 172 S CA -1.111 56.889 58.200 -0.333 0.000 1.013 172 S CB 1.408 64.236 63.200 -0.621 0.000 1.017 172 S HN 0.345 nan 8.310 nan 0.000 0.487 173 P HA 0.119 nan 4.420 nan 0.000 0.268 173 P C -0.710 176.491 177.300 -0.164 0.000 1.205 173 P CA -0.198 62.811 63.100 -0.152 0.000 0.771 173 P CB 0.376 31.985 31.700 -0.151 0.000 0.858 174 N N 2.971 121.533 118.700 -0.230 0.000 2.518 174 N HA 0.099 4.839 4.740 -0.000 0.000 0.283 174 N C -0.790 174.591 175.510 -0.215 0.000 1.119 174 N CA -0.130 52.822 53.050 -0.162 0.000 0.983 174 N CB 0.342 38.767 38.487 -0.103 0.000 1.139 174 N HN 0.275 nan 8.380 nan 0.000 0.465 175 N N 3.333 121.941 118.700 -0.153 0.000 2.407 175 N HA 0.352 5.092 4.740 -0.000 0.000 0.277 175 N C -2.140 173.270 175.510 -0.167 0.000 0.995 175 N CA -2.011 50.885 53.050 -0.256 0.000 0.903 175 N CB 1.923 40.305 38.487 -0.175 0.000 1.218 175 N HN 0.376 nan 8.380 nan 0.000 0.487 176 P HA 0.065 nan 4.420 nan 0.000 0.261 176 P C 0.826 177.857 177.300 -0.449 0.000 1.268 176 P CA 0.450 63.164 63.100 -0.644 0.000 0.833 176 P CB 0.251 31.322 31.700 -1.048 0.000 1.231 177 T N -3.896 110.423 114.554 -0.390 0.000 2.904 177 T HA 0.115 4.465 4.350 -0.000 0.000 0.267 177 T C 1.719 176.345 174.700 -0.124 0.000 1.059 177 T CA 1.354 63.234 62.100 -0.366 0.000 1.137 177 T CB -1.315 67.265 68.868 -0.479 0.000 0.879 177 T HN 0.192 nan 8.240 nan 0.000 0.467 178 G N 1.376 110.109 108.800 -0.112 0.000 2.143 178 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.249 178 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.249 178 G C 0.251 175.147 174.900 -0.007 0.000 0.981 178 G CA 0.103 45.164 45.100 -0.065 0.000 0.665 178 G HN 1.234 nan 8.290 nan 0.000 0.528 179 A N -0.640 122.194 122.820 0.023 0.000 2.371 179 A HA 0.715 5.035 4.320 -0.000 0.000 0.257 179 A C 0.286 177.868 177.584 -0.003 0.000 1.089 179 A CA 0.248 52.353 52.037 0.113 0.000 0.794 179 A CB 1.277 20.459 19.000 0.303 0.000 1.029 179 A HN 1.151 nan 8.150 nan 0.000 0.488 180 V N 3.447 123.405 119.914 0.072 0.000 2.378 180 V HA 0.278 4.398 4.120 -0.000 0.000 0.288 180 V C -1.181 175.033 176.094 0.201 0.000 1.016 180 V CA -0.562 61.750 62.300 0.021 0.000 0.840 180 V CB 0.901 32.749 31.823 0.041 0.000 0.994 180 V HN 0.704 nan 8.190 nan 0.000 0.431 181 Y N 6.311 126.657 120.300 0.077 0.000 2.335 181 Y HA 0.377 4.927 4.550 -0.000 0.000 0.331 181 Y C -1.577 174.346 175.900 0.038 0.000 1.094 181 Y CA -3.503 54.634 58.100 0.062 0.000 1.253 181 Y CB 0.000 38.503 38.460 0.071 0.000 1.203 181 Y HN 0.436 nan 8.280 nan 0.000 0.508 182 P HA 0.054 nan 4.420 nan 0.000 0.272 182 P C 0.309 177.594 177.300 -0.026 0.000 1.223 182 P CA -0.362 62.769 63.100 0.052 0.000 0.784 182 P CB 1.205 32.917 31.700 0.020 0.000 0.923 183 K N 1.517 121.822 120.400 -0.158 0.000 2.152 183 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 183 K C 1.149 177.479 176.600 -0.451 0.000 1.048 183 K CA 1.620 57.602 56.287 -0.508 0.000 0.933 183 K CB -0.351 31.644 32.500 -0.843 0.000 0.721 183 K HN 0.192 nan 8.250 nan 0.000 0.447 184 E N 1.134 121.187 120.200 -0.245 0.000 2.106 184 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 184 E C 2.018 178.556 176.600 -0.104 0.000 0.984 184 E CA 1.147 57.448 56.400 -0.166 0.000 0.806 184 E CB -0.126 29.510 29.700 -0.106 0.000 0.750 184 E HN 0.134 nan 8.360 nan 0.000 0.458 185 V N 0.506 120.379 119.914 -0.068 0.000 2.323 185 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 185 V C 1.990 178.087 176.094 0.005 0.000 1.041 185 V CA 1.037 63.316 62.300 -0.035 0.000 1.025 185 V CB -0.333 31.463 31.823 -0.046 0.000 0.656 185 V HN 0.246 nan 8.190 nan 0.000 0.451 186 L N 0.092 121.341 121.223 0.044 0.000 2.083 186 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 186 L C 2.445 179.391 176.870 0.126 0.000 1.083 186 L CA 1.780 56.707 54.840 0.144 0.000 0.752 186 L CB -1.298 40.934 42.059 0.288 0.000 0.899 186 L HN 0.451 nan 8.230 nan 0.000 0.433 187 E N -0.920 119.291 120.200 0.018 0.000 2.106 187 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 187 E C 2.238 178.846 176.600 0.014 0.000 0.984 187 E CA 1.009 57.426 56.400 0.029 0.000 0.806 187 E CB -0.101 29.551 29.700 -0.080 0.000 0.750 187 E HN 0.485 nan 8.360 nan 0.000 0.458 188 A N 1.073 123.891 122.820 -0.003 0.000 1.930 188 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 188 A C 2.144 179.742 177.584 0.024 0.000 1.175 188 A CA 0.934 52.972 52.037 0.001 0.000 0.627 188 A CB -0.492 18.504 19.000 -0.007 0.000 0.815 188 A HN 0.131 nan 8.150 nan 0.000 0.443 189 L N -0.978 120.274 121.223 0.048 0.000 2.156 189 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 189 L C 3.030 179.934 176.870 0.056 0.000 1.095 189 L CA 0.892 55.780 54.840 0.079 0.000 0.770 189 L CB -0.528 41.598 42.059 0.111 0.000 0.914 189 L HN 0.438 nan 8.230 nan 0.000 0.439 190 A N 0.044 122.886 122.820 0.037 0.000 1.930 190 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 190 A C 2.428 179.941 177.584 -0.118 0.000 1.175 190 A CA 1.357 53.382 52.037 -0.020 0.000 0.627 190 A CB -0.474 18.542 19.000 0.026 0.000 0.815 190 A HN 0.287 nan 8.150 nan 0.000 0.443 191 R N -0.421 120.034 120.500 -0.076 0.000 2.081 191 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 191 R C 1.939 178.164 176.300 -0.126 0.000 1.131 191 R CA 1.352 57.389 56.100 -0.104 0.000 0.960 191 R CB -0.371 29.898 30.300 -0.052 0.000 0.856 191 R HN 0.544 nan 8.270 nan 0.000 0.436 192 L N -0.157 121.033 121.223 -0.055 0.000 2.046 192 L HA -0.146 4.193 4.340 -0.000 0.000 0.208 192 L C 2.638 179.352 176.870 -0.259 0.000 1.077 192 L CA 1.290 56.150 54.840 0.033 0.000 0.747 192 L CB -0.534 41.628 42.059 0.171 0.000 0.896 192 L HN 0.304 nan 8.230 nan 0.000 0.432 193 A N -0.372 122.111 122.820 -0.561 0.000 1.902 193 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 193 A C 2.326 179.443 177.584 -0.777 0.000 1.181 193 A CA 1.708 53.064 52.037 -1.135 0.000 0.623 193 A CB -0.739 17.888 19.000 -0.620 0.000 0.818 193 A HN 0.193 nan 8.150 nan 0.000 0.443 194 V N 0.061 119.564 119.914 -0.684 0.000 2.307 194 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 194 V C 2.398 178.277 176.094 -0.358 0.000 1.045 194 V CA 2.309 64.181 62.300 -0.714 0.000 1.024 194 V CB -0.879 30.626 31.823 -0.531 0.000 0.651 194 V HN 0.647 nan 8.190 nan 0.000 0.449 195 E N -0.586 119.423 120.200 -0.317 0.000 2.106 195 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 195 E C 1.898 178.248 176.600 -0.418 0.000 0.984 195 E CA 1.464 57.663 56.400 -0.334 0.000 0.806 195 E CB -0.125 29.355 29.700 -0.367 0.000 0.750 195 E HN 0.754 nan 8.360 nan 0.000 0.458 196 H N -0.404 118.576 119.070 -0.150 0.000 2.551 196 H HA 0.074 4.630 4.556 -0.000 0.000 0.271 196 H C -0.313 175.020 175.328 0.009 0.000 0.984 196 H CA 0.263 56.302 56.048 -0.014 0.000 1.164 196 H CB 0.557 30.431 29.762 0.187 0.000 1.437 196 H HN -0.041 nan 8.280 nan 0.000 0.550 197 D N 0.333 120.703 120.400 -0.049 0.000 2.760 197 D HA -0.190 4.450 4.640 -0.000 0.000 0.244 197 D C -1.028 175.306 176.300 0.057 0.000 1.123 197 D CA 0.726 54.737 54.000 0.017 0.000 0.719 197 D CB -1.369 39.449 40.800 0.029 0.000 1.045 197 D HN 0.417 nan 8.370 nan 0.000 0.426 198 F N -1.409 118.566 119.950 0.042 0.000 2.692 198 F HA 0.712 5.239 4.527 -0.000 0.000 0.320 198 F C -0.843 174.922 175.800 -0.059 0.000 1.123 198 F CA -1.530 56.426 58.000 -0.073 0.000 0.961 198 F CB 0.523 39.536 39.000 0.022 0.000 1.383 198 F HN -0.198 nan 8.300 nan 0.000 0.483 199 Y N 1.906 122.466 120.300 0.434 0.000 2.309 199 Y HA 0.466 5.016 4.550 -0.000 0.000 0.327 199 Y C 0.069 176.176 175.900 0.346 0.000 1.172 199 Y CA -0.893 57.371 58.100 0.273 0.000 1.280 199 Y CB 1.019 39.568 38.460 0.147 0.000 1.234 199 Y HN 0.546 nan 8.280 nan 0.000 0.512 200 L N 4.819 126.276 121.223 0.389 0.000 2.294 200 L HA 0.468 4.808 4.340 -0.000 0.000 0.283 200 L C -1.321 175.656 176.870 0.178 0.000 1.015 200 L CA -0.747 54.261 54.840 0.280 0.000 0.831 200 L CB 0.783 42.957 42.059 0.192 0.000 1.217 200 L HN 0.403 nan 8.230 nan 0.000 0.420 201 V N 4.435 124.431 119.914 0.138 0.000 2.348 201 V HA 0.247 4.367 4.120 -0.000 0.000 0.270 201 V C 0.596 176.710 176.094 0.034 0.000 1.037 201 V CA -0.220 62.104 62.300 0.040 0.000 0.872 201 V CB 1.209 33.030 31.823 -0.003 0.000 1.002 201 V HN 0.860 nan 8.190 nan 0.000 0.464 202 S N 3.568 119.280 115.700 0.021 0.000 2.461 202 S HA 0.246 4.716 4.470 -0.000 0.000 0.322 202 S C -0.434 174.181 174.600 0.025 0.000 1.063 202 S CA -0.656 57.566 58.200 0.037 0.000 1.120 202 S CB 0.411 63.632 63.200 0.034 0.000 0.968 202 S HN 0.801 nan 8.310 nan 0.000 0.467 203 D N 3.929 124.354 120.400 0.041 0.000 2.393 203 D HA 0.177 4.817 4.640 -0.000 0.000 0.232 203 D C 0.233 176.545 176.300 0.020 0.000 1.192 203 D CA -0.115 53.904 54.000 0.031 0.000 0.882 203 D CB 0.701 41.559 40.800 0.097 0.000 1.038 203 D HN 0.647 nan 8.370 nan 0.000 0.499 204 E N 2.909 123.110 120.200 0.001 0.000 2.585 204 E HA 0.063 4.413 4.350 -0.000 0.000 0.206 204 E C 1.336 177.826 176.600 -0.182 0.000 1.007 204 E CA -0.098 56.300 56.400 -0.004 0.000 1.028 204 E CB 0.214 30.004 29.700 0.150 0.000 1.087 204 E HN 0.499 nan 8.360 nan 0.000 0.455 205 I N -1.649 118.755 120.570 -0.277 0.000 2.657 205 I HA -0.224 3.946 4.170 -0.000 0.000 0.261 205 I C 1.170 176.937 176.117 -0.583 0.000 1.212 205 I CA 1.328 62.353 61.300 -0.457 0.000 1.453 205 I CB -0.786 36.851 38.000 -0.606 0.000 1.092 205 I HN 0.091 nan 8.210 nan 0.000 0.452 206 Y N 1.652 121.767 120.300 -0.308 0.000 2.524 206 Y HA 0.155 4.705 4.550 -0.000 0.000 0.266 206 Y C 2.122 177.784 175.900 -0.398 0.000 1.180 206 Y CA -0.179 57.719 58.100 -0.338 0.000 1.244 206 Y CB -0.708 37.548 38.460 -0.339 0.000 1.125 206 Y HN 0.394 nan 8.280 nan 0.000 0.524 207 E N -0.514 119.402 120.200 -0.473 0.000 2.114 207 E HA -0.307 4.043 4.350 -0.000 0.000 0.199 207 E C 0.785 177.089 176.600 -0.494 0.000 1.008 207 E CA 2.317 58.249 56.400 -0.781 0.000 0.810 207 E CB -0.605 28.405 29.700 -1.151 0.000 0.739 207 E HN 0.627 nan 8.360 nan 0.000 0.456 208 H N -0.145 118.790 119.070 -0.224 0.000 2.548 208 H HA 0.158 4.714 4.556 -0.000 0.000 0.268 208 H C 0.269 175.534 175.328 -0.106 0.000 0.975 208 H CA -0.101 55.860 56.048 -0.145 0.000 1.195 208 H CB 0.355 30.025 29.762 -0.154 0.000 1.397 208 H HN 0.085 nan 8.280 nan 0.000 0.572 209 L N 2.151 123.354 121.223 -0.033 0.000 2.512 209 L HA 0.225 4.565 4.340 -0.000 0.000 0.247 209 L C -0.735 175.881 176.870 -0.422 0.000 1.204 209 L CA -0.101 54.689 54.840 -0.084 0.000 1.153 209 L CB -0.359 41.688 42.059 -0.019 0.000 1.415 209 L HN 0.185 nan 8.230 nan 0.000 0.406 210 L N 0.287 121.236 121.223 -0.457 0.000 2.386 210 L HA 0.386 4.726 4.340 -0.000 0.000 0.271 210 L C -0.051 176.492 176.870 -0.544 0.000 0.993 210 L CA -0.187 54.345 54.840 -0.513 0.000 0.819 210 L CB 2.073 44.025 42.059 -0.179 0.000 1.294 210 L HN 0.134 nan 8.230 nan 0.000 0.414 211 Y N 1.255 121.605 120.300 0.082 0.000 2.558 211 Y HA 0.380 4.930 4.550 -0.000 0.000 0.273 211 Y C 0.263 176.201 175.900 0.064 0.000 1.100 211 Y CA -0.398 57.749 58.100 0.078 0.000 1.276 211 Y CB 0.292 38.803 38.460 0.085 0.000 1.196 211 Y HN 0.513 nan 8.280 nan 0.000 0.527 212 E N -0.275 120.008 120.200 0.137 0.000 2.352 212 E HA 0.533 4.883 4.350 -0.000 0.000 0.280 212 E C 0.069 176.713 176.600 0.075 0.000 0.930 212 E CA -0.334 56.129 56.400 0.105 0.000 0.765 212 E CB 2.216 31.983 29.700 0.111 0.000 1.219 212 E HN 0.239 nan 8.360 nan 0.000 0.434 213 G N 1.741 110.583 108.800 0.069 0.000 2.582 213 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.222 213 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.222 213 G C -1.203 173.741 174.900 0.073 0.000 1.311 213 G CA -0.477 44.663 45.100 0.067 0.000 0.915 213 G HN 0.579 nan 8.290 nan 0.000 0.528 214 E N -0.298 119.954 120.200 0.086 0.000 2.317 214 E HA 0.450 4.800 4.350 -0.000 0.000 0.270 214 E C -1.034 175.655 176.600 0.148 0.000 0.885 214 E CA -0.802 55.665 56.400 0.112 0.000 0.760 214 E CB 2.037 31.802 29.700 0.109 0.000 1.227 214 E HN 0.650 nan 8.360 nan 0.000 0.434 215 H N 2.075 121.187 119.070 0.071 0.000 2.761 215 H HA 0.272 4.828 4.556 -0.000 0.000 0.284 215 H C -1.402 174.002 175.328 0.127 0.000 1.105 215 H CA -0.316 55.771 56.048 0.064 0.000 1.352 215 H CB -0.155 29.604 29.762 -0.006 0.000 1.423 215 H HN 0.320 nan 8.280 nan 0.000 0.464 216 F N 3.857 123.570 119.950 -0.394 0.000 2.421 216 F HA 0.443 4.970 4.527 -0.000 0.000 0.337 216 F C -0.518 175.046 175.800 -0.393 0.000 1.105 216 F CA -0.499 57.333 58.000 -0.279 0.000 1.049 216 F CB 1.229 40.159 39.000 -0.117 0.000 1.139 216 F HN 0.423 nan 8.300 nan 0.000 0.479 217 S N 8.085 123.244 115.700 -0.902 0.000 2.438 217 S HA 0.255 4.725 4.470 -0.000 0.000 0.316 217 S C -1.795 172.367 174.600 -0.730 0.000 1.084 217 S CA -1.089 56.753 58.200 -0.598 0.000 1.107 217 S CB 1.406 64.402 63.200 -0.340 0.000 0.981 217 S HN 0.552 nan 8.310 nan 0.000 0.466 218 P HA -0.061 nan 4.420 nan 0.000 0.225 218 P C 1.383 178.622 177.300 -0.100 0.000 1.148 218 P CA 0.681 63.743 63.100 -0.064 0.000 0.779 218 P CB -0.107 31.648 31.700 0.091 0.000 0.780 219 G N 0.492 109.202 108.800 -0.149 0.000 2.535 219 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 219 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 219 G C 1.713 176.545 174.900 -0.113 0.000 1.122 219 G CA 0.046 45.081 45.100 -0.107 0.000 0.769 219 G HN 0.278 nan 8.290 nan 0.000 0.549 220 R N -0.308 120.076 120.500 -0.193 0.000 2.115 220 R HA -0.016 4.323 4.340 -0.000 0.000 0.230 220 R C 2.483 178.762 176.300 -0.035 0.000 1.111 220 R CA 1.511 57.526 56.100 -0.142 0.000 0.976 220 R CB -0.173 29.974 30.300 -0.255 0.000 0.870 220 R HN 0.492 nan 8.270 nan 0.000 0.445 221 V N -4.298 115.617 119.914 0.002 0.000 3.523 221 V HA 0.440 4.560 4.120 -0.000 0.000 0.255 221 V C 0.766 176.866 176.094 0.011 0.000 1.226 221 V CA 0.507 62.829 62.300 0.038 0.000 1.092 221 V CB 0.825 32.704 31.823 0.094 0.000 0.817 221 V HN 0.086 nan 8.190 nan 0.000 0.458 222 A N 1.419 124.243 122.820 0.007 0.000 3.370 222 A HA 0.644 4.964 4.320 -0.000 0.000 0.295 222 A C -1.341 176.282 177.584 0.063 0.000 1.030 222 A CA -0.667 51.384 52.037 0.023 0.000 0.883 222 A CB 0.307 19.279 19.000 -0.046 0.000 1.191 222 A HN 0.293 nan 8.150 nan 0.000 0.507 223 P HA -0.192 nan 4.420 nan 0.000 0.218 223 P C 0.728 178.052 177.300 0.040 0.000 1.148 223 P CA 1.338 64.449 63.100 0.017 0.000 0.822 223 P CB 0.348 32.045 31.700 -0.005 0.000 0.784 224 E N -1.736 118.508 120.200 0.073 0.000 2.481 224 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 224 E C 1.144 177.727 176.600 -0.028 0.000 1.047 224 E CA 0.371 56.783 56.400 0.021 0.000 0.867 224 E CB -0.273 29.417 29.700 -0.017 0.000 0.858 224 E HN 0.508 nan 8.360 nan 0.000 0.513 225 H N -1.306 117.782 119.070 0.030 0.000 2.885 225 H HA 0.167 4.723 4.556 -0.000 0.000 0.260 225 H C -0.105 175.306 175.328 0.138 0.000 0.985 225 H CA 0.369 56.448 56.048 0.051 0.000 1.210 225 H CB 1.014 30.744 29.762 -0.055 0.000 1.466 225 H HN -0.130 nan 8.280 nan 0.000 0.493 226 T N 1.447 116.111 114.554 0.182 0.000 2.829 226 T HA 0.471 4.821 4.350 -0.000 0.000 0.282 226 T C -0.308 174.406 174.700 0.024 0.000 0.990 226 T CA -0.567 61.596 62.100 0.104 0.000 1.028 226 T CB 1.468 70.361 68.868 0.041 0.000 0.951 226 T HN 0.050 nan 8.240 nan 0.000 0.460 227 L N 3.233 124.453 121.223 -0.006 0.000 2.318 227 L HA 0.350 4.690 4.340 -0.000 0.000 0.277 227 L C 0.223 177.034 176.870 -0.099 0.000 1.008 227 L CA -0.571 54.214 54.840 -0.091 0.000 0.846 227 L CB 1.298 43.271 42.059 -0.143 0.000 1.220 227 L HN 0.636 nan 8.230 nan 0.000 0.423 228 T N 2.886 117.349 114.554 -0.152 0.000 2.729 228 T HA 0.379 4.729 4.350 -0.000 0.000 0.296 228 T C 0.071 174.709 174.700 -0.105 0.000 0.928 228 T CA -0.289 61.725 62.100 -0.143 0.000 1.045 228 T CB 1.119 69.834 68.868 -0.254 0.000 0.902 228 T HN 0.111 nan 8.240 nan 0.000 0.500 229 V N 5.309 125.201 119.914 -0.037 0.000 2.483 229 V HA 0.604 4.724 4.120 -0.000 0.000 0.295 229 V C 0.290 176.390 176.094 0.011 0.000 1.035 229 V CA -0.725 61.568 62.300 -0.012 0.000 0.896 229 V CB 1.680 33.483 31.823 -0.032 0.000 0.986 229 V HN 0.807 nan 8.190 nan 0.000 0.447 230 N N 1.314 120.017 118.700 0.005 0.000 3.439 230 N HA 0.771 5.511 4.740 -0.000 0.000 0.313 230 N C -0.571 174.674 175.510 -0.443 0.000 1.598 230 N CA 0.374 53.368 53.050 -0.093 0.000 0.830 230 N CB 2.369 40.973 38.487 0.195 0.000 1.849 230 N HN 0.943 nan 8.380 nan 0.000 0.598 231 G N -1.527 106.846 108.800 -0.711 0.000 2.328 231 G HA2 0.500 4.459 3.960 -0.000 0.000 0.295 231 G HA3 0.500 4.459 3.960 -0.000 0.000 0.295 231 G C -0.722 173.868 174.900 -0.517 0.000 1.413 231 G CA 0.254 44.743 45.100 -1.018 0.000 0.817 231 G HN 0.606 nan 8.290 nan 0.000 0.546 232 A N -0.615 122.055 122.820 -0.251 0.000 2.195 232 A HA 0.621 4.941 4.320 -0.000 0.000 0.210 232 A C 2.481 180.082 177.584 0.029 0.000 1.165 232 A CA 1.681 53.787 52.037 0.115 0.000 0.806 232 A CB -0.525 18.623 19.000 0.248 0.000 0.847 232 A HN 2.042 nan 8.150 nan 0.000 0.482 233 A N 1.115 123.901 122.820 -0.056 0.000 1.859 233 A HA -0.227 4.092 4.320 -0.000 0.000 0.218 233 A C 2.063 179.657 177.584 0.017 0.000 1.209 233 A CA 2.041 54.074 52.037 -0.007 0.000 0.639 233 A CB -0.365 18.613 19.000 -0.037 0.000 0.835 233 A HN 0.348 nan 8.150 nan 0.000 0.450 234 K N -0.669 119.678 120.400 -0.088 0.000 2.137 234 K HA 0.201 4.521 4.320 -0.000 0.000 0.202 234 K C 2.247 178.878 176.600 0.050 0.000 1.052 234 K CA 1.127 57.411 56.287 -0.004 0.000 0.961 234 K CB -0.785 31.559 32.500 -0.259 0.000 0.741 234 K HN 0.448 nan 8.250 nan 0.000 0.452 235 A N 0.749 123.472 122.820 -0.162 0.000 1.898 235 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 235 A C 1.172 178.588 177.584 -0.280 0.000 1.181 235 A CA 1.149 52.994 52.037 -0.320 0.000 0.620 235 A CB -0.376 18.217 19.000 -0.678 0.000 0.819 235 A HN 0.219 nan 8.150 nan 0.000 0.442 236 F N -1.269 118.788 119.950 0.179 0.000 2.708 236 F HA 0.582 5.109 4.527 -0.000 0.000 0.300 236 F C 1.177 176.910 175.800 -0.111 0.000 1.118 236 F CA -0.585 57.407 58.000 -0.015 0.000 1.307 236 F CB -0.412 38.464 39.000 -0.206 0.000 0.986 236 F HN 0.288 nan 8.300 nan 0.000 0.522 237 A N 0.832 123.803 122.820 0.252 0.000 2.610 237 A HA -0.263 4.057 4.320 -0.000 0.000 0.299 237 A C 0.576 178.260 177.584 0.167 0.000 1.487 237 A CA 1.038 53.228 52.037 0.254 0.000 0.743 237 A CB -2.109 17.104 19.000 0.354 0.000 1.070 237 A HN 0.495 nan 8.150 nan 0.000 0.439 238 M N 0.267 119.949 119.600 0.137 0.000 2.876 238 M HA 0.063 4.543 4.480 -0.000 0.000 0.367 238 M C 1.684 178.154 176.300 0.284 0.000 1.242 238 M CA 0.585 55.974 55.300 0.148 0.000 0.889 238 M CB 0.211 32.694 32.600 -0.194 0.000 1.353 238 M HN 0.769 nan 8.290 nan 0.000 0.511 239 T N -2.812 111.892 114.554 0.250 0.000 2.788 239 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 239 T C 1.822 176.644 174.700 0.204 0.000 1.044 239 T CA 1.737 63.954 62.100 0.196 0.000 1.139 239 T CB -0.486 68.485 68.868 0.172 0.000 0.867 239 T HN 0.569 nan 8.240 nan 0.000 0.454 240 G N -0.604 108.333 108.800 0.229 0.000 2.650 240 G HA2 0.055 4.015 3.960 -0.000 0.000 0.214 240 G HA3 0.055 4.015 3.960 -0.000 0.000 0.214 240 G C 0.949 175.902 174.900 0.089 0.000 1.136 240 G CA -0.112 45.056 45.100 0.113 0.000 0.789 240 G HN 0.600 nan 8.290 nan 0.000 0.536 241 W N 0.139 121.456 121.300 0.029 0.000 2.584 241 W HA 0.249 4.909 4.660 -0.000 0.000 0.264 241 W C 0.720 177.254 176.519 0.025 0.000 1.264 241 W CA -0.123 57.237 57.345 0.025 0.000 1.306 241 W CB 0.316 29.791 29.460 0.025 0.000 1.110 241 W HN -0.022 nan 8.180 nan 0.000 0.606 242 R N 0.195 120.838 120.500 0.238 0.000 3.209 242 R HA -0.175 4.165 4.340 -0.000 0.000 0.252 242 R C -0.945 175.431 176.300 0.127 0.000 0.958 242 R CA 0.627 56.810 56.100 0.139 0.000 0.651 242 R CB -3.077 27.279 30.300 0.092 0.000 1.142 242 R HN 0.137 nan 8.270 nan 0.000 0.441 243 I N 0.036 120.676 120.570 0.116 0.000 2.439 243 I HA 0.537 4.707 4.170 -0.000 0.000 0.285 243 I C 1.079 177.183 176.117 -0.020 0.000 1.021 243 I CA -0.304 61.050 61.300 0.089 0.000 1.091 243 I CB 1.921 39.999 38.000 0.131 0.000 1.242 243 I HN 0.347 nan 8.210 nan 0.000 0.439 244 G N 5.899 114.673 108.800 -0.044 0.000 2.714 244 G HA2 0.831 4.791 3.960 -0.000 0.000 0.292 244 G HA3 0.831 4.791 3.960 -0.000 0.000 0.292 244 G C -1.909 172.932 174.900 -0.098 0.000 1.308 244 G CA -0.423 44.530 45.100 -0.246 0.000 0.964 244 G HN 0.485 nan 8.290 nan 0.000 0.484 245 Y N -2.872 117.469 120.300 0.069 0.000 2.592 245 Y HA 0.822 5.372 4.550 -0.000 0.000 0.334 245 Y C -0.214 175.790 175.900 0.173 0.000 1.136 245 Y CA -1.448 56.720 58.100 0.113 0.000 1.042 245 Y CB 1.116 39.645 38.460 0.116 0.000 1.325 245 Y HN 1.059 nan 8.280 nan 0.000 0.457 246 A N 0.512 123.538 122.820 0.344 0.000 2.593 246 A HA 0.934 5.253 4.320 -0.000 0.000 0.290 246 A C -1.015 176.568 177.584 -0.002 0.000 1.126 246 A CA -0.324 51.798 52.037 0.142 0.000 0.695 246 A CB 1.079 20.088 19.000 0.014 0.000 1.290 246 A HN 1.844 nan 8.150 nan 0.000 0.414 247 C N -1.227 117.900 119.300 -0.288 0.000 3.241 247 C HA 1.083 5.543 4.460 -0.000 0.000 0.312 247 C C 0.336 175.170 174.990 -0.261 0.000 1.350 247 C CA 0.216 59.036 59.018 -0.329 0.000 1.415 247 C CB 1.098 28.438 27.740 -0.666 0.000 1.770 247 C HN 2.759 nan 8.230 nan 0.000 0.466 248 G N 0.614 109.309 108.800 -0.175 0.000 2.351 248 G HA2 0.511 4.471 3.960 -0.000 0.000 0.279 248 G HA3 0.511 4.471 3.960 -0.000 0.000 0.279 248 G C -3.557 171.297 174.900 -0.076 0.000 1.297 248 G CA -0.681 44.345 45.100 -0.123 0.000 0.886 248 G HN 0.611 nan 8.290 nan 0.000 0.493 249 P HA 0.142 nan 4.420 nan 0.000 0.260 249 P C 0.837 178.116 177.300 -0.034 0.000 1.185 249 P CA 0.264 63.350 63.100 -0.023 0.000 0.763 249 P CB 0.905 32.616 31.700 0.018 0.000 0.776 250 K N 4.132 124.517 120.400 -0.025 0.000 2.077 250 K HA -0.281 4.039 4.320 -0.000 0.000 0.213 250 K C 1.713 178.299 176.600 -0.023 0.000 1.051 250 K CA 2.295 58.568 56.287 -0.022 0.000 0.929 250 K CB -0.014 32.477 32.500 -0.014 0.000 0.715 250 K HN 0.601 nan 8.250 nan 0.000 0.451 251 E N -0.282 119.908 120.200 -0.016 0.000 2.150 251 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 251 E C 1.834 178.415 176.600 -0.031 0.000 0.985 251 E CA 1.319 57.711 56.400 -0.014 0.000 0.814 251 E CB -0.155 29.545 29.700 0.001 0.000 0.752 251 E HN 0.102 nan 8.360 nan 0.000 0.466 252 V N 1.517 121.400 119.914 -0.053 0.000 2.379 252 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 252 V C 2.398 178.436 176.094 -0.094 0.000 1.044 252 V CA 1.023 63.258 62.300 -0.107 0.000 1.036 252 V CB -0.316 31.386 31.823 -0.202 0.000 0.664 252 V HN 0.313 nan 8.190 nan 0.000 0.453 253 I N 0.478 121.004 120.570 -0.074 0.000 2.226 253 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 253 I C 2.516 178.612 176.117 -0.035 0.000 1.100 253 I CA 1.641 62.908 61.300 -0.055 0.000 1.374 253 I CB -1.156 36.818 38.000 -0.043 0.000 1.057 253 I HN 0.356 nan 8.210 nan 0.000 0.413 254 K N 1.803 122.185 120.400 -0.030 0.000 2.097 254 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 254 K C 2.042 178.631 176.600 -0.019 0.000 1.050 254 K CA 1.585 57.860 56.287 -0.019 0.000 0.938 254 K CB -0.037 32.454 32.500 -0.015 0.000 0.718 254 K HN 0.228 nan 8.250 nan 0.000 0.442 255 A N 1.369 124.172 122.820 -0.029 0.000 1.898 255 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 255 A C 2.311 179.879 177.584 -0.027 0.000 1.181 255 A CA 1.643 53.663 52.037 -0.028 0.000 0.620 255 A CB -0.425 18.551 19.000 -0.041 0.000 0.819 255 A HN 0.375 nan 8.150 nan 0.000 0.442 256 M N -0.494 119.083 119.600 -0.038 0.000 2.213 256 M HA -0.136 4.344 4.480 -0.000 0.000 0.263 256 M C 2.424 178.725 176.300 0.002 0.000 1.062 256 M CA 1.315 56.599 55.300 -0.026 0.000 1.105 256 M CB -0.333 32.242 32.600 -0.043 0.000 1.385 256 M HN 0.487 nan 8.290 nan 0.000 0.417 257 A N -0.565 122.255 122.820 -0.001 0.000 1.930 257 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 257 A C 2.263 179.852 177.584 0.009 0.000 1.175 257 A CA 1.824 53.865 52.037 0.007 0.000 0.627 257 A CB -0.626 18.376 19.000 0.002 0.000 0.815 257 A HN 0.415 nan 8.150 nan 0.000 0.443 258 S N -0.333 115.370 115.700 0.005 0.000 2.383 258 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 258 S C 1.858 176.470 174.600 0.019 0.000 1.026 258 S CA 1.364 59.568 58.200 0.007 0.000 0.981 258 S CB -0.353 62.849 63.200 0.003 0.000 0.818 258 S HN 0.354 nan 8.310 nan 0.000 0.472 259 V N 1.573 121.504 119.914 0.028 0.000 2.307 259 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 259 V C 2.399 178.535 176.094 0.070 0.000 1.045 259 V CA 1.810 64.143 62.300 0.055 0.000 1.024 259 V CB -0.915 30.947 31.823 0.064 0.000 0.651 259 V HN 0.419 nan 8.190 nan 0.000 0.449 260 S N 0.864 116.600 115.700 0.059 0.000 2.382 260 S HA -0.202 4.268 4.470 -0.000 0.000 0.228 260 S C 2.231 176.851 174.600 0.034 0.000 1.027 260 S CA 1.694 59.927 58.200 0.056 0.000 0.991 260 S CB -0.427 62.801 63.200 0.047 0.000 0.823 260 S HN 0.825 nan 8.310 nan 0.000 0.469 261 S N 1.645 117.356 115.700 0.018 0.000 2.419 261 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 261 S C 1.532 176.131 174.600 -0.003 0.000 1.016 261 S CA 0.887 59.084 58.200 -0.004 0.000 0.974 261 S CB -0.418 62.775 63.200 -0.012 0.000 0.786 261 S HN 0.617 nan 8.310 nan 0.000 0.492 262 Q N 0.740 120.552 119.800 0.019 0.000 2.319 262 Q HA 0.205 4.545 4.340 -0.000 0.000 0.202 262 Q C 1.855 177.879 176.000 0.040 0.000 0.896 262 Q CA 0.676 56.494 55.803 0.025 0.000 0.942 262 Q CB 0.394 29.154 28.738 0.037 0.000 1.083 262 Q HN 0.837 nan 8.270 nan 0.000 0.510 263 S N -0.811 114.918 115.700 0.047 0.000 3.334 263 S HA -0.021 4.449 4.470 -0.000 0.000 0.224 263 S C 1.954 176.575 174.600 0.035 0.000 0.959 263 S CA 0.568 58.800 58.200 0.053 0.000 0.815 263 S CB -0.432 62.820 63.200 0.086 0.000 0.861 263 S HN 0.229 nan 8.310 nan 0.000 0.596 264 T N -1.711 112.865 114.554 0.036 0.000 3.044 264 T HA 0.328 4.678 4.350 -0.000 0.000 0.250 264 T C 1.091 175.816 174.700 0.042 0.000 1.081 264 T CA 1.019 63.141 62.100 0.036 0.000 1.040 264 T CB -0.243 68.646 68.868 0.034 0.000 0.962 264 T HN 0.470 nan 8.240 nan 0.000 0.506 265 T N 0.384 114.951 114.554 0.021 0.000 13.229 265 T HA -0.226 4.124 4.350 -0.000 0.000 0.418 265 T C 0.240 174.949 174.700 0.016 0.000 1.449 265 T CA 1.543 63.636 62.100 -0.011 0.000 2.373 265 T CB -1.797 67.043 68.868 -0.046 0.000 2.798 265 T HN 0.914 nan 8.240 nan 0.000 0.615 266 S N 0.990 116.726 115.700 0.059 0.000 2.586 266 S HA 0.553 5.023 4.470 -0.000 0.000 0.277 266 S C -3.167 171.486 174.600 0.087 0.000 1.131 266 S CA -1.022 57.220 58.200 0.070 0.000 0.848 266 S CB 1.735 64.984 63.200 0.083 0.000 1.091 266 S HN 0.190 nan 8.310 nan 0.000 0.453 267 P HA 0.176 nan 4.420 nan 0.000 0.272 267 P C -0.994 176.362 177.300 0.093 0.000 1.230 267 P CA -0.281 62.867 63.100 0.080 0.000 0.788 267 P CB 0.311 32.057 31.700 0.077 0.000 0.949 268 D N 0.900 121.356 120.400 0.094 0.000 2.581 268 D HA -0.081 4.559 4.640 -0.000 0.000 0.238 268 D C 0.653 177.027 176.300 0.123 0.000 1.145 268 D CA 0.831 54.890 54.000 0.099 0.000 0.866 268 D CB 0.560 41.415 40.800 0.091 0.000 1.151 268 D HN 0.265 nan 8.370 nan 0.000 0.500 269 T N 4.512 119.147 114.554 0.134 0.000 2.720 269 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 269 T C 1.952 176.825 174.700 0.289 0.000 1.037 269 T CA 0.860 63.075 62.100 0.192 0.000 1.144 269 T CB 0.023 69.016 68.868 0.207 0.000 0.864 269 T HN 0.443 nan 8.240 nan 0.000 0.444 270 I N 1.635 122.345 120.570 0.233 0.000 2.286 270 I HA -0.086 4.084 4.170 -0.000 0.000 0.248 270 I C 2.680 178.987 176.117 0.317 0.000 1.115 270 I CA 1.006 62.463 61.300 0.261 0.000 1.392 270 I CB -0.613 37.481 38.000 0.156 0.000 1.065 270 I HN 0.166 nan 8.210 nan 0.000 0.418 271 A N -0.450 122.546 122.820 0.293 0.000 2.015 271 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 271 A C 2.257 179.959 177.584 0.195 0.000 1.163 271 A CA 1.199 53.460 52.037 0.373 0.000 0.646 271 A CB -0.487 18.742 19.000 0.382 0.000 0.806 271 A HN 0.498 nan 8.150 nan 0.000 0.448 272 Q N -1.705 118.163 119.800 0.114 0.000 2.123 272 Q HA -0.191 4.149 4.340 -0.000 0.000 0.199 272 Q C 1.861 177.775 176.000 -0.144 0.000 0.966 272 Q CA 1.447 57.221 55.803 -0.049 0.000 0.845 272 Q CB -0.201 28.452 28.738 -0.141 0.000 0.907 272 Q HN 0.902 nan 8.270 nan 0.000 0.439 273 W N 0.459 121.776 121.300 0.027 0.000 2.418 273 W HA -0.054 4.606 4.660 0.000 0.000 0.292 273 W C 2.432 178.928 176.519 -0.038 0.000 1.213 273 W CA 0.918 58.261 57.345 -0.002 0.000 1.283 273 W CB -0.089 29.378 29.460 0.013 0.000 1.119 273 W HN 0.131 nan 8.180 nan 0.000 0.542 274 A N -0.484 122.436 122.820 0.165 0.000 1.930 274 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 274 A C 1.849 179.314 177.584 -0.200 0.000 1.175 274 A CA 2.106 54.125 52.037 -0.030 0.000 0.627 274 A CB -1.094 17.863 19.000 -0.071 0.000 0.815 274 A HN 0.199 nan 8.150 nan 0.000 0.443 275 T N 0.072 114.530 114.554 -0.161 0.000 2.904 275 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 275 T C 1.795 176.378 174.700 -0.196 0.000 1.059 275 T CA 1.279 63.264 62.100 -0.191 0.000 1.137 275 T CB -0.299 68.528 68.868 -0.069 0.000 0.879 275 T HN 0.330 nan 8.240 nan 0.000 0.467 276 L N 1.813 122.939 121.223 -0.161 0.000 2.042 276 L HA -0.070 4.269 4.340 -0.000 0.000 0.210 276 L C 2.368 179.163 176.870 -0.125 0.000 1.076 276 L CA 1.916 56.660 54.840 -0.161 0.000 0.749 276 L CB -0.601 41.364 42.059 -0.156 0.000 0.893 276 L HN 0.124 nan 8.230 nan 0.000 0.432 277 E N -0.101 120.040 120.200 -0.099 0.000 2.110 277 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 277 E C 2.073 178.584 176.600 -0.149 0.000 0.988 277 E CA 1.431 57.780 56.400 -0.086 0.000 0.804 277 E CB -0.356 29.301 29.700 -0.072 0.000 0.745 277 E HN 0.550 nan 8.360 nan 0.000 0.458 278 A N 0.165 122.797 122.820 -0.314 0.000 1.972 278 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 278 A C 2.179 179.526 177.584 -0.395 0.000 1.169 278 A CA 1.306 53.042 52.037 -0.501 0.000 0.635 278 A CB -0.472 18.000 19.000 -0.881 0.000 0.810 278 A HN 0.349 nan 8.150 nan 0.000 0.446 279 L N -0.699 120.363 121.223 -0.268 0.000 2.249 279 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 279 L C 2.867 179.658 176.870 -0.132 0.000 1.090 279 L CA 1.480 56.207 54.840 -0.188 0.000 0.802 279 L CB -0.543 41.385 42.059 -0.219 0.000 0.947 279 L HN 0.596 nan 8.230 nan 0.000 0.453 280 T N -3.773 110.712 114.554 -0.115 0.000 2.937 280 T HA -0.064 4.286 4.350 -0.000 0.000 0.260 280 T C 1.235 175.897 174.700 -0.062 0.000 1.051 280 T CA 0.301 62.355 62.100 -0.075 0.000 1.141 280 T CB -0.291 68.545 68.868 -0.053 0.000 0.879 280 T HN 0.030 nan 8.240 nan 0.000 0.459 281 N N 2.049 120.713 118.700 -0.060 0.000 2.968 281 N HA 0.159 4.899 4.740 -0.000 0.000 0.271 281 N C 0.951 176.396 175.510 -0.108 0.000 1.174 281 N CA -0.107 52.900 53.050 -0.072 0.000 1.096 281 N CB 0.460 38.916 38.487 -0.051 0.000 1.403 281 N HN 0.539 nan 8.380 nan 0.000 0.522 282 Q N 0.511 120.261 119.800 -0.083 0.000 2.170 282 Q HA -0.183 4.157 4.340 -0.000 0.000 0.203 282 Q C 1.336 177.286 176.000 -0.084 0.000 0.976 282 Q CA 1.224 56.986 55.803 -0.070 0.000 0.858 282 Q CB 0.172 28.884 28.738 -0.044 0.000 0.907 282 Q HN 0.666 nan 8.270 nan 0.000 0.433 283 E N 0.592 120.733 120.200 -0.098 0.000 2.031 283 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 283 E C 1.915 178.423 176.600 -0.154 0.000 0.994 283 E CA 1.089 57.428 56.400 -0.102 0.000 0.800 283 E CB -0.071 29.575 29.700 -0.089 0.000 0.752 283 E HN 0.342 nan 8.360 nan 0.000 0.447 284 A N 0.306 122.960 122.820 -0.277 0.000 1.930 284 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 284 A C 2.351 179.685 177.584 -0.417 0.000 1.175 284 A CA 1.606 53.360 52.037 -0.472 0.000 0.627 284 A CB -0.415 18.044 19.000 -0.902 0.000 0.815 284 A HN 0.267 nan 8.150 nan 0.000 0.443 285 S N -0.812 114.706 115.700 -0.303 0.000 2.368 285 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 285 S C 2.071 176.748 174.600 0.129 0.000 1.029 285 S CA 1.304 59.518 58.200 0.024 0.000 0.988 285 S CB -0.308 62.873 63.200 -0.032 0.000 0.838 285 S HN 0.683 nan 8.310 nan 0.000 0.462 286 R N 1.449 121.958 120.500 0.014 0.000 2.091 286 R HA -0.085 4.255 4.340 -0.000 0.000 0.238 286 R C 2.293 178.589 176.300 -0.007 0.000 1.136 286 R CA 1.393 57.491 56.100 -0.004 0.000 0.959 286 R CB -0.499 29.784 30.300 -0.027 0.000 0.856 286 R HN 0.359 nan 8.270 nan 0.000 0.437 287 A N 0.400 123.211 122.820 -0.016 0.000 1.902 287 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 287 A C 2.010 179.586 177.584 -0.014 0.000 1.181 287 A CA 1.397 53.419 52.037 -0.026 0.000 0.623 287 A CB -0.815 18.162 19.000 -0.039 0.000 0.818 287 A HN 0.559 nan 8.150 nan 0.000 0.443 288 F N 0.578 120.488 119.950 -0.067 0.000 2.113 288 F HA -0.119 4.408 4.527 0.000 0.000 0.297 288 F C 2.219 177.959 175.800 -0.100 0.000 1.103 288 F CA 1.869 59.827 58.000 -0.070 0.000 1.248 288 F CB -0.331 38.697 39.000 0.046 0.000 0.999 288 F HN 0.017 nan 8.300 nan 0.000 0.475 289 V N 0.698 120.594 119.914 -0.030 0.000 2.332 289 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 289 V C 2.404 178.377 176.094 -0.201 0.000 1.055 289 V CA 2.129 64.345 62.300 -0.141 0.000 1.038 289 V CB -0.636 31.140 31.823 -0.079 0.000 0.651 289 V HN 0.307 nan 8.190 nan 0.000 0.450 290 E N -0.590 119.521 120.200 -0.150 0.000 2.106 290 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 290 E C 2.059 178.548 176.600 -0.186 0.000 0.984 290 E CA 1.306 57.636 56.400 -0.117 0.000 0.806 290 E CB -0.433 29.224 29.700 -0.073 0.000 0.750 290 E HN 0.593 nan 8.360 nan 0.000 0.458 291 M N 0.353 119.778 119.600 -0.292 0.000 2.117 291 M HA -0.117 4.362 4.480 -0.000 0.000 0.262 291 M C 2.075 178.069 176.300 -0.511 0.000 1.065 291 M CA 1.806 56.891 55.300 -0.359 0.000 1.114 291 M CB -0.043 32.311 32.600 -0.410 0.000 1.361 291 M HN 0.069 nan 8.290 nan 0.000 0.408 292 A N 0.548 122.906 122.820 -0.771 0.000 1.929 292 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 292 A C 2.202 179.448 177.584 -0.564 0.000 1.176 292 A CA 1.631 53.117 52.037 -0.918 0.000 0.628 292 A CB -0.743 17.646 19.000 -1.018 0.000 0.816 292 A HN 0.654 nan 8.150 nan 0.000 0.444 293 R N -0.037 120.347 120.500 -0.195 0.000 2.081 293 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 293 R C 2.130 178.510 176.300 0.132 0.000 1.131 293 R CA 1.866 58.056 56.100 0.150 0.000 0.960 293 R CB -0.329 30.058 30.300 0.145 0.000 0.856 293 R HN 0.676 nan 8.270 nan 0.000 0.436 294 E N -0.202 119.991 120.200 -0.010 0.000 2.106 294 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 294 E C 1.781 178.364 176.600 -0.029 0.000 0.984 294 E CA 1.109 57.502 56.400 -0.011 0.000 0.806 294 E CB -0.093 29.585 29.700 -0.038 0.000 0.750 294 E HN 0.495 nan 8.360 nan 0.000 0.458 295 A N 0.330 123.105 122.820 -0.074 0.000 1.877 295 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 295 A C 1.899 179.511 177.584 0.047 0.000 1.186 295 A CA 1.423 53.444 52.037 -0.028 0.000 0.620 295 A CB -0.901 18.114 19.000 0.025 0.000 0.822 295 A HN 0.385 nan 8.150 nan 0.000 0.443 296 Y N -0.296 120.087 120.300 0.140 0.000 2.224 296 Y HA -0.132 4.418 4.550 -0.000 0.000 0.289 296 Y C 2.505 178.323 175.900 -0.137 0.000 1.146 296 Y CA 1.155 59.354 58.100 0.164 0.000 1.182 296 Y CB -0.673 38.010 38.460 0.371 0.000 0.983 296 Y HN 0.332 nan 8.280 nan 0.000 0.524 297 R N 0.644 121.043 120.500 -0.169 0.000 2.075 297 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 297 R C 2.257 178.411 176.300 -0.242 0.000 1.126 297 R CA 1.310 57.153 56.100 -0.428 0.000 0.963 297 R CB -0.073 30.069 30.300 -0.263 0.000 0.858 297 R HN 0.279 nan 8.270 nan 0.000 0.435 298 R N -0.079 120.348 120.500 -0.121 0.000 2.081 298 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 298 R C 2.489 178.716 176.300 -0.121 0.000 1.131 298 R CA 1.700 57.743 56.100 -0.095 0.000 0.960 298 R CB -0.255 30.016 30.300 -0.049 0.000 0.856 298 R HN 0.250 nan 8.270 nan 0.000 0.436 299 R N 0.138 120.580 120.500 -0.096 0.000 2.081 299 R HA -0.108 4.231 4.340 -0.000 0.000 0.235 299 R C 2.441 178.530 176.300 -0.351 0.000 1.131 299 R CA 1.259 57.292 56.100 -0.112 0.000 0.960 299 R CB -0.300 30.047 30.300 0.079 0.000 0.856 299 R HN 0.186 nan 8.270 nan 0.000 0.436 300 R N 0.972 121.097 120.500 -0.624 0.000 2.073 300 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 300 R C 1.212 177.254 176.300 -0.431 0.000 1.134 300 R CA 2.001 57.552 56.100 -0.916 0.000 0.952 300 R CB -0.134 29.623 30.300 -0.904 0.000 0.850 300 R HN 0.131 nan 8.270 nan 0.000 0.433 301 D N 0.980 121.206 120.400 -0.290 0.000 2.097 301 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 301 D C 1.923 178.144 176.300 -0.130 0.000 0.989 301 D CA 1.088 54.987 54.000 -0.168 0.000 0.827 301 D CB -0.327 40.398 40.800 -0.125 0.000 0.966 301 D HN 0.262 nan 8.370 nan 0.000 0.456 302 L N 0.260 121.403 121.223 -0.133 0.000 2.012 302 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 302 L C 2.311 179.128 176.870 -0.088 0.000 1.073 302 L CA 1.129 55.912 54.840 -0.094 0.000 0.748 302 L CB -0.171 41.836 42.059 -0.087 0.000 0.891 302 L HN 0.062 nan 8.230 nan 0.000 0.431 303 L N -0.528 120.621 121.223 -0.123 0.000 1.994 303 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 303 L C 2.580 179.426 176.870 -0.039 0.000 1.071 303 L CA 1.680 56.471 54.840 -0.082 0.000 0.745 303 L CB -0.288 41.706 42.059 -0.107 0.000 0.892 303 L HN 0.359 nan 8.230 nan 0.000 0.431 304 L N -0.497 120.687 121.223 -0.065 0.000 2.079 304 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 304 L C 2.467 179.333 176.870 -0.006 0.000 1.081 304 L CA 1.382 56.209 54.840 -0.021 0.000 0.752 304 L CB -0.524 41.514 42.059 -0.035 0.000 0.896 304 L HN 0.339 nan 8.230 nan 0.000 0.433 305 E N -0.064 120.122 120.200 -0.023 0.000 2.077 305 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 305 E C 2.229 178.830 176.600 0.003 0.000 0.989 305 E CA 1.086 57.478 56.400 -0.012 0.000 0.800 305 E CB -0.293 29.393 29.700 -0.023 0.000 0.746 305 E HN 0.567 nan 8.360 nan 0.000 0.452 306 G N 1.217 110.019 108.800 0.003 0.000 2.404 306 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 306 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 306 G C 1.583 176.517 174.900 0.056 0.000 1.174 306 G CA 0.358 45.470 45.100 0.020 0.000 0.780 306 G HN 0.076 nan 8.290 nan 0.000 0.537 307 L N 0.593 121.861 121.223 0.075 0.000 2.079 307 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 307 L C 3.151 180.061 176.870 0.067 0.000 1.081 307 L CA 1.585 56.488 54.840 0.105 0.000 0.752 307 L CB -0.760 41.367 42.059 0.114 0.000 0.896 307 L HN 0.198 nan 8.230 nan 0.000 0.433 308 T N -0.215 114.367 114.554 0.045 0.000 2.821 308 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 308 T C 1.976 176.694 174.700 0.029 0.000 1.046 308 T CA 1.164 63.284 62.100 0.033 0.000 1.139 308 T CB -0.154 68.727 68.868 0.023 0.000 0.871 308 T HN 0.444 nan 8.240 nan 0.000 0.454 309 A N 1.122 123.960 122.820 0.029 0.000 2.015 309 A HA 0.112 4.432 4.320 -0.000 0.000 0.219 309 A C 2.080 179.683 177.584 0.031 0.000 1.163 309 A CA 0.954 53.007 52.037 0.026 0.000 0.646 309 A CB -0.619 18.394 19.000 0.022 0.000 0.806 309 A HN 0.506 nan 8.150 nan 0.000 0.448 310 L N -1.554 119.696 121.223 0.045 0.000 2.558 310 L HA 0.206 4.546 4.340 -0.000 0.000 0.225 310 L C 1.697 178.585 176.870 0.030 0.000 1.128 310 L CA 0.523 55.392 54.840 0.047 0.000 0.868 310 L CB -0.181 41.926 42.059 0.079 0.000 1.006 310 L HN 0.553 nan 8.230 nan 0.000 0.454 311 G N 0.612 109.428 108.800 0.026 0.000 2.159 311 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.256 311 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.256 311 G C 0.177 175.084 174.900 0.012 0.000 0.977 311 G CA -0.239 44.871 45.100 0.016 0.000 0.652 311 G HN 0.217 nan 8.290 nan 0.000 0.531 312 L N 0.748 121.983 121.223 0.019 0.000 2.331 312 L HA 0.397 4.737 4.340 -0.000 0.000 0.278 312 L C 0.902 177.789 176.870 0.029 0.000 1.106 312 L CA -0.360 54.486 54.840 0.010 0.000 0.824 312 L CB 0.895 42.958 42.059 0.006 0.000 1.142 312 L HN 0.017 nan 8.230 nan 0.000 0.443 313 K N 2.864 123.279 120.400 0.025 0.000 2.174 313 K HA 0.754 5.074 4.320 -0.000 0.000 0.275 313 K C -0.581 176.074 176.600 0.092 0.000 1.015 313 K CA -0.470 55.848 56.287 0.052 0.000 0.933 313 K CB 1.707 34.234 32.500 0.046 0.000 1.025 313 K HN 0.694 nan 8.250 nan 0.000 0.463 314 A N 2.050 124.936 122.820 0.111 0.000 2.500 314 A HA 0.254 4.574 4.320 -0.000 0.000 0.291 314 A C -0.880 176.791 177.584 0.144 0.000 1.048 314 A CA -0.770 51.358 52.037 0.152 0.000 0.791 314 A CB 0.907 19.988 19.000 0.134 0.000 1.309 314 A HN 0.387 nan 8.150 nan 0.000 0.397 315 V N 2.889 122.918 119.914 0.192 0.000 2.585 315 V HA 0.129 4.249 4.120 -0.000 0.000 0.296 315 V C 1.231 177.418 176.094 0.155 0.000 1.035 315 V CA 0.177 62.577 62.300 0.166 0.000 1.084 315 V CB 0.792 32.756 31.823 0.235 0.000 0.953 315 V HN 0.882 nan 8.190 nan 0.000 0.483 316 R N 7.402 127.970 120.500 0.115 0.000 2.421 316 R HA 0.189 4.529 4.340 -0.000 0.000 0.305 316 R C -2.169 174.211 176.300 0.133 0.000 1.039 316 R CA -0.996 55.166 56.100 0.104 0.000 1.003 316 R CB 0.520 30.864 30.300 0.074 0.000 0.959 316 R HN 0.568 nan 8.270 nan 0.000 0.427 317 P HA 0.153 nan 4.420 nan 0.000 0.284 317 P C -0.749 176.676 177.300 0.208 0.000 1.258 317 P CA -0.464 62.742 63.100 0.176 0.000 0.824 317 P CB 1.913 33.736 31.700 0.205 0.000 1.038 318 S N -0.279 115.526 115.700 0.176 0.000 2.559 318 S HA 0.407 4.877 4.470 -0.000 0.000 0.226 318 S C 0.671 175.310 174.600 0.066 0.000 1.000 318 S CA 0.067 58.374 58.200 0.179 0.000 0.948 318 S CB 0.303 63.571 63.200 0.113 0.000 0.870 318 S HN 0.839 nan 8.310 nan 0.000 0.497 319 G N -0.137 108.667 108.800 0.006 0.000 2.645 319 G HA2 0.694 4.654 3.960 -0.000 0.000 0.292 319 G HA3 0.694 4.654 3.960 -0.000 0.000 0.292 319 G C -0.412 174.349 174.900 -0.233 0.000 1.415 319 G CA 0.065 45.020 45.100 -0.241 0.000 0.785 319 G HN 0.701 nan 8.290 nan 0.000 0.483 320 A N -1.240 121.316 122.820 -0.441 0.000 6.082 320 A HA 0.209 4.529 4.320 -0.000 0.000 0.269 320 A C 0.210 177.373 177.584 -0.703 0.000 2.078 320 A CA 1.757 53.268 52.037 -0.878 0.000 0.711 320 A CB -1.481 16.742 19.000 -1.294 0.000 1.114 320 A HN 2.380 nan 8.150 nan 0.000 0.371 321 F N -3.252 116.052 119.950 -1.077 0.000 2.677 321 F HA 0.742 5.269 4.527 -0.000 0.000 0.388 321 F C -0.547 174.280 175.800 -1.623 0.000 1.400 321 F CA -0.984 56.102 58.000 -1.523 0.000 1.162 321 F CB -0.561 37.530 39.000 -1.515 0.000 1.135 321 F HN 0.518 nan 8.300 nan 0.000 0.516 322 Y N -0.704 119.326 120.300 -0.450 0.000 2.602 322 Y HA 0.821 5.371 4.550 -0.000 0.000 0.342 322 Y C -0.574 175.349 175.900 0.039 0.000 1.029 322 Y CA -2.209 55.775 58.100 -0.193 0.000 1.080 322 Y CB 2.294 40.595 38.460 -0.265 0.000 1.284 322 Y HN -0.107 nan 8.280 nan 0.000 0.485 323 V N 2.672 122.730 119.914 0.241 0.000 2.711 323 V HA 0.277 4.396 4.120 -0.000 0.000 0.304 323 V C -0.973 175.177 176.094 0.092 0.000 1.097 323 V CA -0.910 61.504 62.300 0.190 0.000 0.906 323 V CB 2.150 34.123 31.823 0.249 0.000 1.015 323 V HN 0.571 nan 8.190 nan 0.000 0.427 324 L N 5.402 126.649 121.223 0.040 0.000 2.261 324 L HA 0.520 4.860 4.340 -0.000 0.000 0.289 324 L C -0.030 176.951 176.870 0.185 0.000 1.059 324 L CA 0.104 54.955 54.840 0.019 0.000 0.816 324 L CB 1.097 43.058 42.059 -0.163 0.000 1.191 324 L HN 0.659 nan 8.230 nan 0.000 0.431 325 M N 3.959 123.664 119.600 0.175 0.000 2.238 325 M HA 0.237 4.717 4.480 -0.000 0.000 0.350 325 M C -0.384 175.982 176.300 0.110 0.000 1.138 325 M CA -0.557 54.835 55.300 0.153 0.000 1.040 325 M CB 1.464 34.111 32.600 0.077 0.000 1.639 325 M HN 0.390 nan 8.290 nan 0.000 0.451 326 D N 2.953 123.371 120.400 0.030 0.000 2.383 326 D HA 0.065 4.705 4.640 -0.000 0.000 0.252 326 D C 0.497 176.693 176.300 -0.174 0.000 1.166 326 D CA 0.243 54.094 54.000 -0.247 0.000 0.879 326 D CB 1.234 41.938 40.800 -0.160 0.000 1.164 326 D HN 0.773 nan 8.370 nan 0.000 0.462 327 T N -0.222 114.212 114.554 -0.199 0.000 3.105 327 T HA 0.052 4.402 4.350 -0.000 0.000 0.253 327 T C 1.739 176.375 174.700 -0.106 0.000 1.047 327 T CA -0.271 61.749 62.100 -0.133 0.000 0.944 327 T CB 0.145 68.954 68.868 -0.099 0.000 1.016 327 T HN 0.165 nan 8.240 nan 0.000 0.544 328 S N 3.220 118.854 115.700 -0.110 0.000 2.380 328 S HA -0.064 4.406 4.470 -0.000 0.000 0.229 328 S C -0.126 174.439 174.600 -0.057 0.000 1.043 328 S CA 1.629 59.785 58.200 -0.073 0.000 1.038 328 S CB -1.079 62.081 63.200 -0.067 0.000 0.872 328 S HN 0.624 nan 8.310 nan 0.000 0.456 329 P HA 0.165 nan 4.420 nan 0.000 0.245 329 P C 0.792 178.060 177.300 -0.054 0.000 1.212 329 P CA 0.717 63.787 63.100 -0.049 0.000 0.774 329 P CB -0.081 31.591 31.700 -0.047 0.000 0.999 330 I N -1.349 119.181 120.570 -0.067 0.000 3.616 330 I HA 0.293 4.463 4.170 -0.000 0.000 0.296 330 I C 1.009 177.098 176.117 -0.046 0.000 1.226 330 I CA 0.119 61.379 61.300 -0.067 0.000 1.394 330 I CB 0.327 38.264 38.000 -0.104 0.000 1.171 330 I HN -0.111 nan 8.210 nan 0.000 0.442 331 A N 0.477 123.272 122.820 -0.042 0.000 2.567 331 A HA 0.414 4.734 4.320 -0.000 0.000 0.291 331 A C -2.237 175.332 177.584 -0.023 0.000 1.048 331 A CA -0.622 51.399 52.037 -0.026 0.000 0.661 331 A CB 0.031 19.019 19.000 -0.019 0.000 1.288 331 A HN -0.147 nan 8.150 nan 0.000 0.424 332 P HA -0.027 nan 4.420 nan 0.000 0.220 332 P C -0.053 177.244 177.300 -0.004 0.000 1.148 332 P CA 2.028 65.121 63.100 -0.012 0.000 0.803 332 P CB -0.225 31.470 31.700 -0.009 0.000 0.782 333 D N -2.316 118.087 120.400 0.004 0.000 2.596 333 D HA 0.076 4.716 4.640 -0.000 0.000 0.234 333 D C 1.090 177.410 176.300 0.033 0.000 1.181 333 D CA -0.816 53.200 54.000 0.027 0.000 0.856 333 D CB 0.576 41.397 40.800 0.035 0.000 1.498 333 D HN -0.223 nan 8.370 nan 0.000 0.446 334 E N 0.734 120.973 120.200 0.066 0.000 2.153 334 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 334 E C 1.450 178.084 176.600 0.056 0.000 0.988 334 E CA 1.190 57.626 56.400 0.061 0.000 0.811 334 E CB -0.485 29.274 29.700 0.098 0.000 0.746 334 E HN 0.362 nan 8.360 nan 0.000 0.466 335 V N 1.455 121.408 119.914 0.065 0.000 2.323 335 V HA -0.138 3.982 4.120 -0.000 0.000 0.244 335 V C 2.722 178.837 176.094 0.035 0.000 1.041 335 V CA 1.848 64.180 62.300 0.054 0.000 1.025 335 V CB -0.602 31.255 31.823 0.057 0.000 0.656 335 V HN 0.180 nan 8.190 nan 0.000 0.451 336 R N 0.027 120.543 120.500 0.027 0.000 2.115 336 R HA -0.079 4.261 4.340 -0.000 0.000 0.230 336 R C 2.394 178.699 176.300 0.008 0.000 1.111 336 R CA 1.336 57.445 56.100 0.015 0.000 0.976 336 R CB -0.462 29.843 30.300 0.010 0.000 0.870 336 R HN 0.546 nan 8.270 nan 0.000 0.445 337 A N 1.053 123.875 122.820 0.003 0.000 1.898 337 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 337 A C 2.331 179.910 177.584 -0.007 0.000 1.181 337 A CA 1.538 53.566 52.037 -0.016 0.000 0.620 337 A CB -0.529 18.453 19.000 -0.030 0.000 0.819 337 A HN 0.373 nan 8.150 nan 0.000 0.442 338 A N -0.238 122.590 122.820 0.013 0.000 1.972 338 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 338 A C 1.892 179.496 177.584 0.032 0.000 1.169 338 A CA 1.701 53.755 52.037 0.029 0.000 0.635 338 A CB -0.460 18.567 19.000 0.044 0.000 0.810 338 A HN 0.646 nan 8.150 nan 0.000 0.446 339 E N -0.754 119.462 120.200 0.026 0.000 2.107 339 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 339 E C 2.340 178.954 176.600 0.024 0.000 0.982 339 E CA 0.617 57.033 56.400 0.026 0.000 0.809 339 E CB -0.111 29.602 29.700 0.022 0.000 0.756 339 E HN 0.476 nan 8.360 nan 0.000 0.459 340 R N 0.431 120.940 120.500 0.016 0.000 2.081 340 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 340 R C 2.416 178.731 176.300 0.026 0.000 1.131 340 R CA 0.912 57.020 56.100 0.014 0.000 0.960 340 R CB -0.283 30.016 30.300 -0.001 0.000 0.856 340 R HN 0.207 nan 8.270 nan 0.000 0.436 341 L N 0.645 121.885 121.223 0.029 0.000 2.131 341 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 341 L C 2.424 179.345 176.870 0.084 0.000 1.092 341 L CA 0.956 55.836 54.840 0.067 0.000 0.759 341 L CB -0.355 41.747 42.059 0.072 0.000 0.903 341 L HN 0.230 nan 8.230 nan 0.000 0.435 342 L N -0.531 120.730 121.223 0.063 0.000 2.046 342 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 342 L C 2.708 179.607 176.870 0.048 0.000 1.077 342 L CA 1.118 55.992 54.840 0.057 0.000 0.747 342 L CB -0.411 41.675 42.059 0.045 0.000 0.896 342 L HN 0.306 nan 8.230 nan 0.000 0.432 343 E N -0.046 120.179 120.200 0.041 0.000 2.204 343 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 343 E C 2.093 178.717 176.600 0.041 0.000 0.989 343 E CA 1.205 57.626 56.400 0.035 0.000 0.824 343 E CB -0.040 29.677 29.700 0.028 0.000 0.756 343 E HN 0.464 nan 8.360 nan 0.000 0.477 344 A N -0.017 122.836 122.820 0.055 0.000 2.123 344 A HA 0.242 4.562 4.320 -0.000 0.000 0.214 344 A C 1.686 179.311 177.584 0.068 0.000 1.152 344 A CA 1.193 53.270 52.037 0.067 0.000 0.728 344 A CB 0.041 19.098 19.000 0.096 0.000 0.814 344 A HN 0.292 nan 8.150 nan 0.000 0.464 345 G N -2.183 106.656 108.800 0.065 0.000 2.143 345 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.175 345 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.175 345 G C -0.164 174.772 174.900 0.060 0.000 1.004 345 G CA -0.064 45.067 45.100 0.051 0.000 0.671 345 G HN 0.895 nan 8.290 nan 0.000 0.512 346 V N 0.589 120.562 119.914 0.099 0.000 2.483 346 V HA 0.816 4.936 4.120 -0.000 0.000 0.297 346 V C 0.414 176.584 176.094 0.126 0.000 1.027 346 V CA -0.384 61.990 62.300 0.123 0.000 0.855 346 V CB 1.711 33.679 31.823 0.242 0.000 0.995 346 V HN 1.186 nan 8.190 nan 0.000 0.424 347 A N 5.186 128.064 122.820 0.098 0.000 2.252 347 A HA 0.827 5.147 4.320 -0.000 0.000 0.309 347 A C -0.224 177.426 177.584 0.110 0.000 1.285 347 A CA -0.375 51.716 52.037 0.090 0.000 0.900 347 A CB 0.817 19.857 19.000 0.067 0.000 1.157 347 A HN 1.334 nan 8.150 nan 0.000 0.536 348 V N 0.692 120.674 119.914 0.113 0.000 3.113 348 V HA 0.831 4.951 4.120 -0.000 0.000 0.316 348 V C -0.356 175.798 176.094 0.100 0.000 1.125 348 V CA -0.875 61.497 62.300 0.119 0.000 1.026 348 V CB 1.645 33.545 31.823 0.128 0.000 1.080 348 V HN 0.510 nan 8.190 nan 0.000 0.444 349 V N 3.487 123.462 119.914 0.103 0.000 2.370 349 V HA 0.442 4.562 4.120 -0.000 0.000 0.279 349 V C -2.085 174.080 176.094 0.119 0.000 1.029 349 V CA -1.590 60.784 62.300 0.122 0.000 0.870 349 V CB 1.332 33.257 31.823 0.169 0.000 0.984 349 V HN 0.929 nan 8.190 nan 0.000 0.451 350 P HA 0.098 nan 4.420 nan 0.000 0.269 350 P C 0.817 178.215 177.300 0.164 0.000 1.209 350 P CA 0.071 63.236 63.100 0.109 0.000 0.776 350 P CB 1.104 32.857 31.700 0.089 0.000 0.876 351 G N 1.560 110.428 108.800 0.113 0.000 2.920 351 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.208 351 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.208 351 G C 1.165 176.071 174.900 0.010 0.000 1.159 351 G CA 0.283 45.448 45.100 0.108 0.000 0.784 351 G HN 0.442 nan 8.290 nan 0.000 0.535 352 T N 1.467 116.022 114.554 0.002 0.000 2.597 352 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 352 T C 1.799 176.387 174.700 -0.185 0.000 1.053 352 T CA 1.635 63.691 62.100 -0.074 0.000 1.165 352 T CB -0.249 68.679 68.868 0.101 0.000 0.863 352 T HN 0.206 nan 8.240 nan 0.000 0.427 353 D N 0.521 120.831 120.400 -0.151 0.000 2.264 353 D HA -0.001 4.639 4.640 -0.000 0.000 0.208 353 D C 1.340 177.413 176.300 -0.380 0.000 0.966 353 D CA 0.700 54.531 54.000 -0.283 0.000 0.864 353 D CB -0.332 40.213 40.800 -0.425 0.000 0.933 353 D HN 0.464 nan 8.370 nan 0.000 0.499 354 F N -0.192 119.586 119.950 -0.286 0.000 2.765 354 F HA 0.371 4.898 4.527 -0.000 0.000 0.302 354 F C 1.536 176.850 175.800 -0.810 0.000 1.111 354 F CA 0.230 57.982 58.000 -0.413 0.000 1.359 354 F CB 0.087 38.887 39.000 -0.333 0.000 1.097 354 F HN -0.121 nan 8.300 nan 0.000 0.577 355 A N 0.396 122.830 122.820 -0.642 0.000 2.945 355 A HA -0.107 4.213 4.320 -0.000 0.000 0.251 355 A C 0.875 178.001 177.584 -0.764 0.000 1.355 355 A CA 0.585 52.088 52.037 -0.890 0.000 0.905 355 A CB -2.092 16.452 19.000 -0.760 0.000 1.104 355 A HN 0.635 nan 8.150 nan 0.000 0.733 356 A N 0.003 122.472 122.820 -0.585 0.000 3.175 356 A HA 0.629 4.949 4.320 -0.000 0.000 0.289 356 A C 0.002 177.498 177.584 -0.147 0.000 1.429 356 A CA -0.440 51.410 52.037 -0.312 0.000 1.155 356 A CB -0.673 18.147 19.000 -0.299 0.000 1.169 356 A HN 0.818 nan 8.150 nan 0.000 0.574 357 F N 0.419 120.437 119.950 0.114 0.000 2.563 357 F HA 0.389 4.916 4.527 -0.000 0.000 0.363 357 F C 1.654 177.575 175.800 0.201 0.000 1.123 357 F CA 1.334 59.410 58.000 0.126 0.000 1.307 357 F CB 0.460 39.508 39.000 0.080 0.000 1.115 357 F HN 0.662 nan 8.300 nan 0.000 0.592 358 G N 1.092 110.062 108.800 0.284 0.000 2.162 358 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 358 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 358 G C -0.293 174.506 174.900 -0.167 0.000 0.976 358 G CA 0.136 45.275 45.100 0.065 0.000 0.655 358 G HN 0.854 nan 8.290 nan 0.000 0.533 359 H N -2.125 116.978 119.070 0.055 0.000 2.894 359 H HA 0.794 5.350 4.556 -0.000 0.000 0.368 359 H C -0.635 174.686 175.328 -0.012 0.000 1.181 359 H CA -0.388 55.669 56.048 0.016 0.000 1.146 359 H CB 2.423 32.188 29.762 0.006 0.000 1.839 359 H HN 0.392 nan 8.280 nan 0.000 0.557 360 V N 1.031 121.006 119.914 0.103 0.000 2.789 360 V HA 0.419 4.539 4.120 -0.000 0.000 0.311 360 V C -0.785 175.313 176.094 0.007 0.000 1.073 360 V CA -0.796 61.529 62.300 0.042 0.000 0.921 360 V CB 2.000 33.841 31.823 0.031 0.000 1.009 360 V HN 0.702 nan 8.190 nan 0.000 0.426 361 R N 5.010 125.477 120.500 -0.056 0.000 2.297 361 R HA 0.645 4.985 4.340 -0.000 0.000 0.308 361 R C -1.478 174.844 176.300 0.037 0.000 1.029 361 R CA -0.442 55.594 56.100 -0.106 0.000 0.929 361 R CB 0.855 30.942 30.300 -0.354 0.000 1.046 361 R HN 0.686 nan 8.270 nan 0.000 0.461 362 L N 2.265 123.552 121.223 0.108 0.000 2.346 362 L HA 0.395 4.735 4.340 -0.000 0.000 0.276 362 L C -0.157 176.853 176.870 0.234 0.000 1.006 362 L CA -0.667 54.283 54.840 0.185 0.000 0.817 362 L CB 2.040 44.235 42.059 0.227 0.000 1.272 362 L HN 0.541 nan 8.230 nan 0.000 0.421 363 S N 1.206 117.030 115.700 0.206 0.000 2.478 363 S HA 0.426 4.896 4.470 -0.000 0.000 0.312 363 S C -0.287 174.343 174.600 0.050 0.000 1.094 363 S CA -0.584 57.697 58.200 0.135 0.000 1.081 363 S CB 0.588 63.893 63.200 0.175 0.000 1.007 363 S HN 0.490 nan 8.310 nan 0.000 0.475 364 Y N 2.676 122.958 120.300 -0.030 0.000 2.811 364 Y HA 0.663 5.213 4.550 -0.000 0.000 0.330 364 Y C 0.621 176.439 175.900 -0.137 0.000 1.081 364 Y CA -0.772 57.290 58.100 -0.063 0.000 1.408 364 Y CB -0.498 37.948 38.460 -0.023 0.000 1.235 364 Y HN 0.623 nan 8.280 nan 0.000 0.529 365 A N 1.065 123.702 122.820 -0.305 0.000 3.258 365 A HA 0.556 4.876 4.320 -0.000 0.000 0.275 365 A C 0.077 177.536 177.584 -0.208 0.000 1.452 365 A CA -0.061 51.737 52.037 -0.399 0.000 1.120 365 A CB -0.981 17.453 19.000 -0.943 0.000 1.107 365 A HN 0.420 nan 8.150 nan 0.000 0.651 366 T N -1.155 113.342 114.554 -0.096 0.000 2.841 366 T HA 0.568 4.918 4.350 -0.000 0.000 0.296 366 T C 0.171 174.828 174.700 -0.073 0.000 1.166 366 T CA -0.243 61.803 62.100 -0.090 0.000 1.007 366 T CB 1.130 69.966 68.868 -0.053 0.000 1.253 366 T HN 0.606 nan 8.240 nan 0.000 0.511 367 S N -0.085 115.565 115.700 -0.083 0.000 2.579 367 S HA 0.177 4.647 4.470 -0.000 0.000 0.275 367 S C 0.940 175.512 174.600 -0.046 0.000 1.345 367 S CA -0.503 57.654 58.200 -0.071 0.000 1.031 367 S CB 0.451 63.611 63.200 -0.068 0.000 0.892 367 S HN 0.754 nan 8.310 nan 0.000 0.529 368 E N 1.077 121.253 120.200 -0.039 0.000 2.160 368 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 368 E C 1.669 178.243 176.600 -0.043 0.000 0.991 368 E CA 1.552 57.931 56.400 -0.037 0.000 0.810 368 E CB -0.136 29.544 29.700 -0.033 0.000 0.742 368 E HN 0.764 nan 8.360 nan 0.000 0.466 369 E N 0.652 120.828 120.200 -0.041 0.000 2.077 369 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 369 E C 1.678 178.249 176.600 -0.048 0.000 0.989 369 E CA 0.850 57.226 56.400 -0.040 0.000 0.800 369 E CB -0.108 29.572 29.700 -0.034 0.000 0.746 369 E HN 0.146 nan 8.360 nan 0.000 0.452 370 N N -0.012 118.658 118.700 -0.050 0.000 2.270 370 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 370 N C 1.647 177.111 175.510 -0.076 0.000 1.016 370 N CA 0.635 53.651 53.050 -0.056 0.000 0.870 370 N CB -0.022 38.435 38.487 -0.049 0.000 0.979 370 N HN 0.182 nan 8.380 nan 0.000 0.431 371 L N 0.479 121.660 121.223 -0.070 0.000 2.156 371 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 371 L C 2.299 179.097 176.870 -0.120 0.000 1.095 371 L CA 0.818 55.603 54.840 -0.091 0.000 0.770 371 L CB -0.149 41.875 42.059 -0.059 0.000 0.914 371 L HN 0.077 nan 8.230 nan 0.000 0.439 372 R N 0.092 120.538 120.500 -0.090 0.000 2.090 372 R HA -0.112 4.228 4.340 -0.000 0.000 0.228 372 R C 2.296 178.536 176.300 -0.100 0.000 1.110 372 R CA 1.006 57.055 56.100 -0.085 0.000 0.973 372 R CB -0.149 30.117 30.300 -0.058 0.000 0.869 372 R HN 0.293 nan 8.270 nan 0.000 0.440 373 K N 0.638 120.981 120.400 -0.094 0.000 2.009 373 K HA -0.119 4.201 4.320 -0.000 0.000 0.210 373 K C 2.234 178.746 176.600 -0.145 0.000 1.049 373 K CA 1.525 57.757 56.287 -0.091 0.000 0.929 373 K CB -0.242 32.216 32.500 -0.070 0.000 0.714 373 K HN 0.134 nan 8.250 nan 0.000 0.440 374 A N 1.498 124.186 122.820 -0.219 0.000 1.917 374 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 374 A C 2.124 179.316 177.584 -0.654 0.000 1.182 374 A CA 1.441 53.225 52.037 -0.421 0.000 0.633 374 A CB -0.750 17.962 19.000 -0.480 0.000 0.819 374 A HN 0.207 nan 8.150 nan 0.000 0.448 375 L N -0.909 120.039 121.223 -0.459 0.000 2.191 375 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 375 L C 2.568 179.377 176.870 -0.102 0.000 1.103 375 L CA 1.433 56.092 54.840 -0.301 0.000 0.769 375 L CB -0.497 41.475 42.059 -0.145 0.000 0.908 375 L HN 0.514 nan 8.230 nan 0.000 0.438 376 E N -0.297 119.848 120.200 -0.092 0.000 2.072 376 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 376 E C 2.292 178.904 176.600 0.020 0.000 0.982 376 E CA 0.664 57.051 56.400 -0.022 0.000 0.803 376 E CB 0.090 29.773 29.700 -0.029 0.000 0.755 376 E HN 0.413 nan 8.360 nan 0.000 0.453 377 R N 0.191 120.693 120.500 0.004 0.000 2.115 377 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 377 R C 2.114 178.554 176.300 0.233 0.000 1.111 377 R CA 0.767 56.917 56.100 0.084 0.000 0.976 377 R CB -0.447 29.892 30.300 0.064 0.000 0.870 377 R HN 0.183 nan 8.270 nan 0.000 0.445 378 F N 1.543 121.500 119.950 0.011 0.000 2.134 378 F HA -0.017 4.510 4.527 -0.000 0.000 0.299 378 F C 2.638 178.443 175.800 0.009 0.000 1.097 378 F CA 0.470 58.477 58.000 0.012 0.000 1.264 378 F CB -1.146 37.862 39.000 0.014 0.000 1.001 378 F HN 0.041 nan 8.300 nan 0.000 0.479 379 A N 0.366 123.312 122.820 0.210 0.000 1.902 379 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 379 A C 2.408 180.041 177.584 0.080 0.000 1.181 379 A CA 1.447 53.551 52.037 0.113 0.000 0.623 379 A CB -0.630 18.415 19.000 0.075 0.000 0.818 379 A HN 0.298 nan 8.150 nan 0.000 0.443 380 R N -0.662 119.886 120.500 0.081 0.000 2.096 380 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 380 R C 1.970 178.301 176.300 0.052 0.000 1.127 380 R CA 1.413 57.547 56.100 0.057 0.000 0.968 380 R CB -0.657 29.675 30.300 0.054 0.000 0.861 380 R HN 0.405 nan 8.270 nan 0.000 0.440 381 V N 1.852 121.806 119.914 0.066 0.000 2.427 381 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 381 V C 1.651 177.756 176.094 0.017 0.000 1.051 381 V CA 1.244 63.566 62.300 0.037 0.000 1.048 381 V CB -0.299 31.540 31.823 0.028 0.000 0.666 381 V HN 0.132 nan 8.190 nan 0.000 0.456 382 L N 0.000 121.237 121.223 0.023 0.000 2.949 382 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 382 L CA 0.000 54.846 54.840 0.010 0.000 0.813 382 L CB 0.000 42.067 42.059 0.014 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502