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 1m2w_1_A DATA FIRST_RESID 2 DATA SEQUENCE KLNKQNLTQL APEVKLPAYT LADTRQGIAH IGVGGFHRAH QAYYTDALXN DATA SEQUENCE TGEGLDWSIC GVGLRSEDRK ARDDLAGQDY LFTLYELGDT DDTEVRVIGS DATA SEQUENCE ISDXLLAEDS AQALIDKLAS PEIRIVSLTI TEGGYCIDDS NGEFXAHLPQ DATA SEQUENCE IQHDLAHPSS PKTVFGFICA ALTQRRAAGI PAFTVXSCDN LPHNGAVTRK DATA SEQUENCE ALLAFAALHN AELHDWIKAH VSFPNAXVDR ITPXTSTAHR LQLHDEHGID DATA SEQUENCE DAWPVVCEPF VQWVLEDKFV NGRPAWEKVG VQFTDDVTPY EEXKIGLLNG DATA SEQUENCE SHLALTYLGF LKGYRFVHET XNDPLFVAYX RAYXDLDVTP NLAPVPGIDL DATA SEQUENCE TDYKQTLVDR FSNQAIADQL ERVCSDGSSK FPKFTVPTIN RLIADGRETE DATA SEQUENCE RAALVVAAWA LYLKGVDENG VSYTIPDPRA EFCQGLVSDD ALISQRLLAV DATA SEQUENCE EEIFGTAIPN SPEFVAAFER CYGSLRDNGV TTTLKHLLKK P 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.617 176.600 0.028 0.000 0.988 2 K CA 0.000 56.309 56.287 0.037 0.000 0.838 2 K CB 0.000 32.515 32.500 0.026 0.000 1.064 3 L N 4.612 125.854 121.223 0.031 0.000 2.360 3 L HA 0.614 4.954 4.340 -0.000 0.000 0.276 3 L C -0.830 176.052 176.870 0.021 0.000 1.121 3 L CA 0.859 55.711 54.840 0.019 0.000 0.845 3 L CB -0.094 41.979 42.059 0.023 0.000 1.143 3 L HN 0.926 nan 8.230 nan 0.000 0.452 4 N N 1.949 120.656 118.700 0.011 0.000 3.356 4 N HA 0.218 4.958 4.740 -0.000 0.000 0.246 4 N C -0.270 175.244 175.510 0.007 0.000 1.480 4 N CA -0.678 52.381 53.050 0.015 0.000 0.877 4 N CB 0.487 38.985 38.487 0.017 0.000 1.431 4 N HN 0.307 nan 8.380 nan 0.000 0.500 5 K N -0.802 119.607 120.400 0.014 0.000 2.148 5 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 5 K C 0.936 177.535 176.600 -0.002 0.000 1.050 5 K CA 1.472 57.763 56.287 0.005 0.000 0.942 5 K CB -0.141 32.370 32.500 0.019 0.000 0.724 5 K HN 0.441 nan 8.250 nan 0.000 0.446 6 Q N 0.466 120.269 119.800 0.004 0.000 2.167 6 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 6 Q C 1.163 177.161 176.000 -0.004 0.000 0.970 6 Q CA 1.123 56.927 55.803 0.001 0.000 0.855 6 Q CB 0.099 28.840 28.738 0.005 0.000 0.911 6 Q HN 0.219 nan 8.270 nan 0.000 0.438 7 N N -0.583 118.114 118.700 -0.005 0.000 2.280 7 N HA 0.018 4.758 4.740 -0.000 0.000 0.192 7 N C 1.056 176.555 175.510 -0.018 0.000 1.109 7 N CA -0.013 53.032 53.050 -0.008 0.000 0.855 7 N CB 0.238 38.724 38.487 -0.000 0.000 0.974 7 N HN 0.126 nan 8.380 nan 0.000 0.482 8 L N 1.561 122.769 121.223 -0.025 0.000 2.051 8 L HA -0.178 4.162 4.340 -0.000 0.000 0.214 8 L C 2.048 178.890 176.870 -0.046 0.000 1.076 8 L CA 1.830 56.644 54.840 -0.042 0.000 0.758 8 L CB -1.131 40.896 42.059 -0.054 0.000 0.890 8 L HN 0.261 nan 8.230 nan 0.000 0.433 9 T N -4.217 110.314 114.554 -0.038 0.000 3.129 9 T HA 0.010 4.360 4.350 -0.000 0.000 0.251 9 T C 1.233 175.916 174.700 -0.028 0.000 1.117 9 T CA 0.128 62.206 62.100 -0.036 0.000 1.034 9 T CB -0.159 68.690 68.868 -0.032 0.000 0.968 9 T HN 0.387 nan 8.240 nan 0.000 0.526 10 Q N 0.817 120.603 119.800 -0.024 0.000 2.204 10 Q HA 0.417 4.757 4.340 -0.000 0.000 0.209 10 Q C 0.231 176.219 176.000 -0.019 0.000 0.861 10 Q CA -0.059 55.733 55.803 -0.018 0.000 0.971 10 Q CB 0.405 29.136 28.738 -0.011 0.000 1.095 10 Q HN 0.566 nan 8.270 nan 0.000 0.486 11 L N 0.086 121.293 121.223 -0.026 0.000 2.448 11 L HA 0.520 4.859 4.340 -0.000 0.000 0.258 11 L C 0.639 177.493 176.870 -0.027 0.000 1.104 11 L CA -1.009 53.814 54.840 -0.028 0.000 0.800 11 L CB 0.321 42.357 42.059 -0.039 0.000 1.241 11 L HN -0.012 nan 8.230 nan 0.000 0.472 12 A N 1.506 124.311 122.820 -0.025 0.000 2.555 12 A HA 0.117 4.437 4.320 -0.000 0.000 0.233 12 A C -1.346 176.229 177.584 -0.015 0.000 1.060 12 A CA -0.651 51.377 52.037 -0.016 0.000 0.759 12 A CB -0.493 18.508 19.000 0.001 0.000 0.995 12 A HN 0.674 nan 8.150 nan 0.000 0.506 13 P HA -0.205 nan 4.420 nan 0.000 0.218 13 P C 0.971 178.263 177.300 -0.013 0.000 1.148 13 P CA 1.596 64.688 63.100 -0.013 0.000 0.822 13 P CB 0.045 31.739 31.700 -0.010 0.000 0.784 14 E N 0.443 120.644 120.200 0.001 0.000 2.347 14 E HA -0.018 4.332 4.350 -0.000 0.000 0.196 14 E C 0.432 177.004 176.600 -0.046 0.000 1.008 14 E CA 0.280 56.677 56.400 -0.005 0.000 0.852 14 E CB -0.871 28.852 29.700 0.039 0.000 0.783 14 E HN 0.057 nan 8.360 nan 0.000 0.505 15 V N 3.650 123.531 119.914 -0.055 0.000 2.446 15 V HA 0.016 4.136 4.120 -0.000 0.000 0.276 15 V C 0.525 176.570 176.094 -0.082 0.000 1.030 15 V CA -0.064 62.180 62.300 -0.093 0.000 1.033 15 V CB 0.483 32.252 31.823 -0.090 0.000 0.993 15 V HN 0.068 nan 8.190 nan 0.000 0.477 16 K N 6.050 126.397 120.400 -0.088 0.000 2.298 16 K HA 0.555 4.875 4.320 -0.000 0.000 0.280 16 K C -0.479 176.065 176.600 -0.094 0.000 1.032 16 K CA -0.058 56.183 56.287 -0.076 0.000 0.958 16 K CB 1.155 33.618 32.500 -0.061 0.000 0.978 16 K HN 0.498 nan 8.250 nan 0.000 0.472 17 L N 2.831 123.996 121.223 -0.096 0.000 2.323 17 L HA 0.475 4.815 4.340 -0.000 0.000 0.265 17 L C -2.234 174.538 176.870 -0.163 0.000 1.012 17 L CA -2.520 52.242 54.840 -0.130 0.000 0.820 17 L CB 1.554 43.541 42.059 -0.120 0.000 1.334 17 L HN 0.301 nan 8.230 nan 0.000 0.427 18 P HA 0.068 nan 4.420 nan 0.000 0.268 18 P C -0.246 176.829 177.300 -0.375 0.000 1.204 18 P CA 0.016 62.848 63.100 -0.446 0.000 0.768 18 P CB 0.978 32.181 31.700 -0.828 0.000 0.842 19 A N 2.861 125.549 122.820 -0.220 0.000 2.195 19 A HA 0.103 4.423 4.320 -0.000 0.000 0.210 19 A C 0.313 177.883 177.584 -0.022 0.000 1.165 19 A CA 0.359 52.352 52.037 -0.075 0.000 0.806 19 A CB -0.812 18.203 19.000 0.023 0.000 0.847 19 A HN 0.644 nan 8.150 nan 0.000 0.482 20 Y N -2.303 117.987 120.300 -0.018 0.000 2.403 20 Y HA 0.637 5.187 4.550 0.000 0.000 0.323 20 Y C 0.070 175.966 175.900 -0.007 0.000 1.226 20 Y CA -1.081 57.013 58.100 -0.010 0.000 1.235 20 Y CB 0.027 38.484 38.460 -0.006 0.000 1.248 20 Y HN -0.150 nan 8.280 nan 0.000 0.489 21 T N 4.444 119.088 114.554 0.150 0.000 2.743 21 T HA 0.158 4.508 4.350 -0.000 0.000 0.290 21 T C 1.413 176.200 174.700 0.146 0.000 0.908 21 T CA -0.230 61.915 62.100 0.074 0.000 1.092 21 T CB -0.094 68.810 68.868 0.061 0.000 0.882 21 T HN 0.713 nan 8.240 nan 0.000 0.531 22 L N 2.461 123.729 121.223 0.074 0.000 2.051 22 L HA -0.225 4.115 4.340 -0.000 0.000 0.214 22 L C 2.792 179.736 176.870 0.123 0.000 1.076 22 L CA 1.593 56.513 54.840 0.134 0.000 0.758 22 L CB -0.675 41.412 42.059 0.048 0.000 0.890 22 L HN 0.691 nan 8.230 nan 0.000 0.433 23 A N -0.906 121.960 122.820 0.075 0.000 2.172 23 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 23 A C 1.662 179.275 177.584 0.050 0.000 1.154 23 A CA 1.424 53.495 52.037 0.056 0.000 0.701 23 A CB -0.331 18.692 19.000 0.038 0.000 0.789 23 A HN 0.358 nan 8.150 nan 0.000 0.465 24 D N -0.194 120.245 120.400 0.065 0.000 2.333 24 D HA 0.021 4.661 4.640 -0.000 0.000 0.208 24 D C 1.099 177.415 176.300 0.027 0.000 0.984 24 D CA 1.087 55.111 54.000 0.041 0.000 0.873 24 D CB -0.220 40.608 40.800 0.046 0.000 0.935 24 D HN 0.546 nan 8.370 nan 0.000 0.521 25 T N -0.429 114.154 114.554 0.049 0.000 2.898 25 T HA 0.381 4.731 4.350 -0.000 0.000 0.301 25 T C 0.457 175.149 174.700 -0.015 0.000 1.049 25 T CA -0.571 61.534 62.100 0.008 0.000 1.095 25 T CB 1.552 70.441 68.868 0.034 0.000 0.976 25 T HN -0.215 nan 8.240 nan 0.000 0.539 26 R N 1.610 122.076 120.500 -0.056 0.000 2.795 26 R HA 0.375 4.715 4.340 -0.000 0.000 0.275 26 R C -0.328 175.917 176.300 -0.092 0.000 0.981 26 R CA -0.830 55.225 56.100 -0.074 0.000 0.917 26 R CB 1.757 31.994 30.300 -0.105 0.000 1.202 26 R HN 0.786 nan 8.270 nan 0.000 0.469 27 Q N -0.415 119.339 119.800 -0.077 0.000 2.327 27 Q HA 0.424 4.764 4.340 -0.000 0.000 0.254 27 Q C 0.713 176.636 176.000 -0.129 0.000 0.952 27 Q CA 0.173 55.941 55.803 -0.058 0.000 0.884 27 Q CB 1.048 29.770 28.738 -0.027 0.000 1.224 27 Q HN 0.923 nan 8.270 nan 0.000 0.422 28 G N 2.133 110.887 108.800 -0.076 0.000 3.040 28 G HA2 0.250 4.210 3.960 -0.000 0.000 0.214 28 G HA3 0.250 4.210 3.960 -0.000 0.000 0.214 28 G C 0.094 175.111 174.900 0.195 0.000 1.093 28 G CA -0.083 44.910 45.100 -0.177 0.000 0.931 28 G HN 0.467 nan 8.290 nan 0.000 0.632 29 I N 1.342 122.072 120.570 0.267 0.000 2.545 29 I HA 0.641 4.811 4.170 -0.000 0.000 0.292 29 I C -0.506 175.718 176.117 0.178 0.000 1.040 29 I CA -1.157 60.330 61.300 0.311 0.000 1.068 29 I CB 2.481 40.747 38.000 0.442 0.000 1.251 29 I HN 0.020 nan 8.210 nan 0.000 0.424 30 A N 4.282 127.159 122.820 0.095 0.000 2.287 30 A HA 0.575 4.895 4.320 -0.000 0.000 0.317 30 A C -1.190 176.392 177.584 -0.002 0.000 1.220 30 A CA -0.348 51.694 52.037 0.009 0.000 0.835 30 A CB 0.339 19.285 19.000 -0.090 0.000 1.180 30 A HN 0.785 nan 8.150 nan 0.000 0.500 31 H N 2.471 121.491 119.070 -0.084 0.000 2.504 31 H HA 0.593 5.149 4.556 0.000 0.000 0.322 31 H C -0.806 174.403 175.328 -0.198 0.000 1.055 31 H CA -0.485 55.459 56.048 -0.173 0.000 1.231 31 H CB 0.613 30.111 29.762 -0.439 0.000 1.417 31 H HN 0.545 nan 8.280 nan 0.000 0.472 32 I N 5.046 125.140 120.570 -0.794 0.000 2.312 32 I HA 0.331 4.501 4.170 -0.000 0.000 0.291 32 I C 0.413 176.231 176.117 -0.498 0.000 1.031 32 I CA 0.071 61.073 61.300 -0.497 0.000 1.293 32 I CB 1.186 38.965 38.000 -0.369 0.000 1.403 32 I HN 1.002 nan 8.210 nan 0.000 0.484 33 G N 4.596 113.283 108.800 -0.189 0.000 3.043 33 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.239 33 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.239 33 G C -0.634 174.385 174.900 0.197 0.000 1.042 33 G CA -0.981 44.120 45.100 0.001 0.000 1.189 33 G HN 0.420 nan 8.290 nan 0.000 0.578 34 V N 1.814 121.839 119.914 0.186 0.000 2.276 34 V HA 0.616 4.736 4.120 -0.000 0.000 0.249 34 V C 1.337 177.626 176.094 0.325 0.000 1.160 34 V CA 0.880 63.334 62.300 0.257 0.000 1.042 34 V CB 0.290 32.265 31.823 0.254 0.000 1.224 34 V HN 0.986 nan 8.190 nan 0.000 0.496 35 G N 2.517 111.486 108.800 0.281 0.000 3.119 35 G HA2 0.552 4.512 3.960 -0.000 0.000 0.206 35 G HA3 0.552 4.512 3.960 -0.000 0.000 0.206 35 G C 0.992 175.957 174.900 0.108 0.000 1.313 35 G CA 0.071 45.336 45.100 0.276 0.000 1.010 35 G HN 0.548 nan 8.290 nan 0.000 0.578 36 G N -0.593 108.268 108.800 0.100 0.000 2.404 36 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.215 36 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.215 36 G C 1.541 176.448 174.900 0.010 0.000 1.174 36 G CA 1.100 46.183 45.100 -0.029 0.000 0.780 36 G HN 0.317 nan 8.290 nan 0.000 0.537 37 F N 1.341 121.274 119.950 -0.029 0.000 2.134 37 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 37 F C 2.428 178.182 175.800 -0.076 0.000 1.097 37 F CA 1.728 59.697 58.000 -0.051 0.000 1.264 37 F CB -0.629 38.347 39.000 -0.040 0.000 1.001 37 F HN 0.351 nan 8.300 nan 0.000 0.479 38 H N 0.232 119.183 119.070 -0.198 0.000 2.319 38 H HA -0.098 4.458 4.556 0.000 0.000 0.299 38 H C 2.370 177.482 175.328 -0.361 0.000 1.092 38 H CA 2.270 58.073 56.048 -0.409 0.000 1.302 38 H CB -0.230 29.250 29.762 -0.471 0.000 1.373 38 H HN 0.191 nan 8.280 nan 0.000 0.497 39 R N -0.329 119.884 120.500 -0.478 0.000 2.115 39 R HA 0.031 4.371 4.340 -0.000 0.000 0.230 39 R C 2.254 178.427 176.300 -0.211 0.000 1.111 39 R CA 0.962 56.793 56.100 -0.449 0.000 0.976 39 R CB -0.092 29.754 30.300 -0.757 0.000 0.870 39 R HN 0.416 nan 8.270 nan 0.000 0.445 40 A N -0.170 122.490 122.820 -0.267 0.000 2.218 40 A HA -0.048 4.272 4.320 -0.000 0.000 0.209 40 A C 1.476 178.865 177.584 -0.326 0.000 1.168 40 A CA 0.576 52.479 52.037 -0.224 0.000 0.804 40 A CB -0.163 18.730 19.000 -0.179 0.000 0.834 40 A HN 0.306 nan 8.150 nan 0.000 0.482 41 H N -1.243 117.464 119.070 -0.604 0.000 2.534 41 H HA 0.112 4.668 4.556 -0.000 0.000 0.201 41 H C 1.756 176.825 175.328 -0.433 0.000 1.042 41 H CA 0.922 56.584 56.048 -0.643 0.000 1.315 41 H CB 0.103 29.068 29.762 -1.328 0.000 1.268 41 H HN 0.355 nan 8.280 nan 0.000 0.474 42 Q N 1.114 120.591 119.800 -0.539 0.000 2.084 42 Q HA 0.009 4.349 4.340 -0.000 0.000 0.202 42 Q C 2.260 178.140 176.000 -0.201 0.000 0.978 42 Q CA 1.807 57.343 55.803 -0.446 0.000 0.844 42 Q CB -0.228 28.320 28.738 -0.317 0.000 0.898 42 Q HN 0.485 nan 8.270 nan 0.000 0.426 43 A N -0.258 122.329 122.820 -0.388 0.000 1.930 43 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 43 A C 1.950 179.546 177.584 0.020 0.000 1.175 43 A CA 1.300 53.266 52.037 -0.119 0.000 0.627 43 A CB -0.818 18.115 19.000 -0.113 0.000 0.815 43 A HN 0.527 nan 8.150 nan 0.000 0.443 44 Y N -0.823 119.377 120.300 -0.167 0.000 2.114 44 Y HA -0.273 4.277 4.550 0.000 0.000 0.284 44 Y C 2.105 177.925 175.900 -0.134 0.000 1.143 44 Y CA 1.933 59.919 58.100 -0.191 0.000 1.135 44 Y CB -0.669 37.582 38.460 -0.347 0.000 0.980 44 Y HN 0.368 nan 8.280 nan 0.000 0.499 45 Y N 0.004 120.113 120.300 -0.319 0.000 2.293 45 Y HA -0.212 4.338 4.550 0.000 0.000 0.291 45 Y C 2.584 178.473 175.900 -0.017 0.000 1.137 45 Y CA 1.728 59.649 58.100 -0.298 0.000 1.202 45 Y CB -0.462 37.897 38.460 -0.169 0.000 0.990 45 Y HN 0.118 nan 8.280 nan 0.000 0.537 46 T N -0.754 113.979 114.554 0.299 0.000 2.777 46 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 46 T C 1.384 176.142 174.700 0.098 0.000 1.040 46 T CA 1.633 63.948 62.100 0.358 0.000 1.141 46 T CB -0.433 68.688 68.868 0.422 0.000 0.868 46 T HN 0.407 nan 8.240 nan 0.000 0.444 47 D N 1.206 121.625 120.400 0.033 0.000 2.117 47 D HA -0.071 4.569 4.640 -0.000 0.000 0.197 47 D C 2.232 178.522 176.300 -0.016 0.000 0.987 47 D CA 1.201 55.215 54.000 0.024 0.000 0.829 47 D CB -0.240 40.577 40.800 0.027 0.000 0.961 47 D HN 0.331 nan 8.370 nan 0.000 0.460 48 A N -0.061 122.667 122.820 -0.153 0.000 1.902 48 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 48 A C 1.289 178.845 177.584 -0.045 0.000 1.181 48 A CA 0.686 52.627 52.037 -0.159 0.000 0.623 48 A CB -0.781 18.024 19.000 -0.324 0.000 0.818 48 A HN 0.403 nan 8.150 nan 0.000 0.443 52 T N -1.969 112.602 114.554 0.028 0.000 3.129 52 T HA 0.369 4.719 4.350 -0.000 0.000 0.251 52 T C 1.326 176.031 174.700 0.008 0.000 1.117 52 T CA 1.100 63.207 62.100 0.012 0.000 1.034 52 T CB 0.267 69.133 68.868 -0.004 0.000 0.968 52 T HN 0.363 nan 8.240 nan 0.000 0.526 53 G N 0.619 109.427 108.800 0.013 0.000 2.157 53 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.239 53 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.239 53 G C -0.289 174.599 174.900 -0.019 0.000 0.982 53 G CA 0.026 45.131 45.100 0.008 0.000 0.650 53 G HN 0.643 nan 8.290 nan 0.000 0.527 54 E N -1.011 119.167 120.200 -0.038 0.000 2.281 54 E HA 0.544 4.894 4.350 -0.000 0.000 0.262 54 E C 1.020 177.588 176.600 -0.054 0.000 0.933 54 E CA -0.752 55.622 56.400 -0.044 0.000 0.809 54 E CB 1.404 31.072 29.700 -0.053 0.000 1.242 54 E HN 1.235 nan 8.360 nan 0.000 0.418 55 G N 1.069 109.866 108.800 -0.005 0.000 2.225 55 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.267 55 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.267 55 G C 0.607 175.539 174.900 0.053 0.000 1.024 55 G CA 0.488 45.651 45.100 0.105 0.000 0.784 55 G HN 0.449 nan 8.290 nan 0.000 0.507 56 L N 0.309 121.505 121.223 -0.045 0.000 2.551 56 L HA 0.084 4.424 4.340 -0.000 0.000 0.228 56 L C 2.031 178.842 176.870 -0.098 0.000 1.153 56 L CA 1.209 55.985 54.840 -0.106 0.000 0.851 56 L CB -0.173 41.833 42.059 -0.089 0.000 0.959 56 L HN 0.482 nan 8.230 nan 0.000 0.451 57 D N -2.043 118.272 120.400 -0.141 0.000 2.358 57 D HA -0.106 4.534 4.640 -0.000 0.000 0.224 57 D C 0.637 176.644 176.300 -0.489 0.000 1.123 57 D CA -0.177 53.642 54.000 -0.302 0.000 0.833 57 D CB -0.153 40.413 40.800 -0.389 0.000 0.946 57 D HN 0.324 nan 8.370 nan 0.000 0.505 58 W N 1.388 122.626 121.300 -0.102 0.000 2.570 58 W HA 0.294 4.954 4.660 -0.000 0.000 0.410 58 W C 0.708 177.218 176.519 -0.015 0.000 0.889 58 W CA -0.718 56.579 57.345 -0.080 0.000 2.386 58 W CB 0.437 29.798 29.460 -0.165 0.000 1.228 58 W HN -0.198 nan 8.180 nan 0.000 0.692 59 S N 1.004 116.770 115.700 0.110 0.000 2.576 59 S HA 0.309 4.779 4.470 -0.000 0.000 0.272 59 S C 0.007 174.707 174.600 0.166 0.000 1.352 59 S CA 0.105 58.375 58.200 0.117 0.000 1.021 59 S CB 0.415 63.649 63.200 0.057 0.000 0.887 59 S HN 0.128 nan 8.310 nan 0.000 0.542 60 I N 2.689 123.375 120.570 0.193 0.000 2.359 60 I HA 0.317 4.487 4.170 -0.000 0.000 0.294 60 I C -0.128 176.069 176.117 0.132 0.000 0.987 60 I CA -0.492 60.938 61.300 0.217 0.000 1.225 60 I CB 1.406 39.600 38.000 0.323 0.000 1.366 60 I HN 0.550 nan 8.210 nan 0.000 0.466 61 C N 6.380 125.732 119.300 0.088 0.000 2.255 61 C HA 0.695 5.155 4.460 -0.000 0.000 0.326 61 C C 0.934 175.945 174.990 0.033 0.000 1.258 61 C CA -0.416 58.611 59.018 0.015 0.000 1.676 61 C CB -0.848 26.880 27.740 -0.019 0.000 2.314 61 C HN 0.934 nan 8.230 nan 0.000 0.509 62 G N 4.308 113.136 108.800 0.046 0.000 2.569 62 G HA2 0.525 4.485 3.960 -0.000 0.000 0.249 62 G HA3 0.525 4.485 3.960 -0.000 0.000 0.249 62 G C -0.943 173.951 174.900 -0.010 0.000 1.216 62 G CA -0.116 45.018 45.100 0.057 0.000 0.845 62 G HN 0.828 nan 8.290 nan 0.000 0.568 63 V N 0.325 120.207 119.914 -0.052 0.000 2.623 63 V HA 0.713 4.833 4.120 -0.000 0.000 0.304 63 V C 0.404 176.432 176.094 -0.110 0.000 1.054 63 V CA -0.410 61.816 62.300 -0.122 0.000 0.882 63 V CB 1.941 33.640 31.823 -0.208 0.000 1.002 63 V HN 1.095 nan 8.190 nan 0.000 0.424 64 G N 3.385 112.123 108.800 -0.104 0.000 2.557 64 G HA2 0.596 4.556 3.960 -0.000 0.000 0.310 64 G HA3 0.596 4.556 3.960 -0.000 0.000 0.310 64 G C 0.066 174.899 174.900 -0.111 0.000 1.328 64 G CA -0.373 44.680 45.100 -0.078 0.000 0.945 64 G HN 0.683 nan 8.290 nan 0.000 0.494 65 L N 1.242 122.405 121.223 -0.101 0.000 2.585 65 L HA 0.293 4.633 4.340 -0.000 0.000 0.226 65 L C 1.245 178.101 176.870 -0.022 0.000 1.113 65 L CA 0.274 55.069 54.840 -0.075 0.000 0.876 65 L CB -0.011 42.013 42.059 -0.059 0.000 1.072 65 L HN 0.347 nan 8.230 nan 0.000 0.468 66 R N -0.753 119.732 120.500 -0.026 0.000 2.732 66 R HA 0.228 4.568 4.340 -0.000 0.000 0.278 66 R C 1.341 177.630 176.300 -0.018 0.000 0.976 66 R CA 0.111 56.203 56.100 -0.014 0.000 0.963 66 R CB 1.593 31.886 30.300 -0.011 0.000 1.150 66 R HN -0.063 nan 8.270 nan 0.000 0.478 67 S N 0.837 116.528 115.700 -0.014 0.000 2.400 67 S HA -0.187 4.283 4.470 -0.000 0.000 0.232 67 S C 1.089 175.671 174.600 -0.030 0.000 1.025 67 S CA 1.357 59.546 58.200 -0.019 0.000 0.993 67 S CB -0.176 63.016 63.200 -0.014 0.000 0.808 67 S HN 0.633 nan 8.310 nan 0.000 0.478 68 E N 1.884 122.067 120.200 -0.028 0.000 2.265 68 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 68 E C 1.294 177.854 176.600 -0.067 0.000 0.996 68 E CA 1.130 57.505 56.400 -0.041 0.000 0.832 68 E CB -0.408 29.277 29.700 -0.025 0.000 0.756 68 E HN 0.592 nan 8.360 nan 0.000 0.491 69 D N 0.228 120.595 120.400 -0.055 0.000 2.348 69 D HA -0.094 4.546 4.640 -0.000 0.000 0.216 69 D C 1.640 177.889 176.300 -0.086 0.000 0.970 69 D CA 0.347 54.306 54.000 -0.067 0.000 0.889 69 D CB -0.075 40.703 40.800 -0.036 0.000 0.912 69 D HN 0.152 nan 8.370 nan 0.000 0.524 70 R N 1.103 121.558 120.500 -0.076 0.000 2.120 70 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 70 R C 2.004 178.237 176.300 -0.112 0.000 1.123 70 R CA 0.879 56.938 56.100 -0.070 0.000 0.975 70 R CB 0.142 30.411 30.300 -0.051 0.000 0.866 70 R HN -0.072 nan 8.270 nan 0.000 0.446 71 K N 0.252 120.556 120.400 -0.161 0.000 2.097 71 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 71 K C 1.818 178.202 176.600 -0.360 0.000 1.050 71 K CA 1.318 57.469 56.287 -0.226 0.000 0.938 71 K CB -0.095 32.262 32.500 -0.239 0.000 0.718 71 K HN 0.232 nan 8.250 nan 0.000 0.442 72 A N 1.817 124.357 122.820 -0.467 0.000 1.877 72 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 72 A C 2.221 179.664 177.584 -0.236 0.000 1.186 72 A CA 1.198 52.821 52.037 -0.690 0.000 0.620 72 A CB -0.504 18.134 19.000 -0.605 0.000 0.822 72 A HN 0.196 nan 8.150 nan 0.000 0.443 73 R N 0.171 120.612 120.500 -0.098 0.000 2.073 73 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 73 R C 1.408 177.678 176.300 -0.051 0.000 1.134 73 R CA 2.117 58.230 56.100 0.022 0.000 0.952 73 R CB -0.808 29.526 30.300 0.057 0.000 0.850 73 R HN 0.486 nan 8.270 nan 0.000 0.433 74 D N 0.751 121.103 120.400 -0.081 0.000 2.097 74 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 74 D C 1.579 177.816 176.300 -0.105 0.000 0.989 74 D CA 1.238 55.189 54.000 -0.082 0.000 0.827 74 D CB -0.379 40.376 40.800 -0.076 0.000 0.966 74 D HN 0.239 nan 8.370 nan 0.000 0.456 75 D N 0.142 120.469 120.400 -0.121 0.000 2.097 75 D HA -0.082 4.558 4.640 -0.000 0.000 0.195 75 D C 2.377 178.660 176.300 -0.028 0.000 0.989 75 D CA 0.433 54.397 54.000 -0.060 0.000 0.827 75 D CB -0.309 40.446 40.800 -0.075 0.000 0.966 75 D HN 0.213 nan 8.370 nan 0.000 0.456 76 L N 0.528 121.716 121.223 -0.058 0.000 2.056 76 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 76 L C 2.496 179.000 176.870 -0.610 0.000 1.078 76 L CA 1.059 55.783 54.840 -0.193 0.000 0.749 76 L CB -0.404 41.564 42.059 -0.151 0.000 0.901 76 L HN -0.027 nan 8.230 nan 0.000 0.433 77 A N 0.241 122.648 122.820 -0.687 0.000 1.972 77 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 77 A C 2.259 179.713 177.584 -0.216 0.000 1.169 77 A CA 1.581 53.274 52.037 -0.573 0.000 0.635 77 A CB -1.052 17.841 19.000 -0.177 0.000 0.810 77 A HN 0.458 nan 8.150 nan 0.000 0.446 78 G N -1.454 107.261 108.800 -0.141 0.000 2.776 78 G HA2 0.059 4.019 3.960 -0.000 0.000 0.209 78 G HA3 0.059 4.019 3.960 -0.000 0.000 0.209 78 G C 1.027 175.907 174.900 -0.032 0.000 1.145 78 G CA 0.567 45.633 45.100 -0.056 0.000 0.791 78 G HN 0.642 nan 8.290 nan 0.000 0.530 79 Q N 0.230 120.000 119.800 -0.050 0.000 2.115 79 Q HA 0.141 4.481 4.340 -0.000 0.000 0.249 79 Q C -0.399 175.610 176.000 0.016 0.000 0.830 79 Q CA -0.377 55.427 55.803 0.001 0.000 1.104 79 Q CB 0.906 29.667 28.738 0.039 0.000 1.207 79 Q HN 0.268 nan 8.270 nan 0.000 0.464 80 D N 0.003 120.410 120.400 0.013 0.000 2.837 80 D HA -0.244 4.396 4.640 -0.000 0.000 0.230 80 D C -0.621 175.814 176.300 0.226 0.000 1.152 80 D CA 1.035 55.104 54.000 0.116 0.000 0.736 80 D CB -1.204 39.654 40.800 0.098 0.000 1.084 80 D HN 0.523 nan 8.370 nan 0.000 0.429 81 Y N -3.365 117.017 120.300 0.136 0.000 4.604 81 Y HA -0.312 4.238 4.550 0.000 0.000 0.230 81 Y C 1.021 177.059 175.900 0.230 0.000 1.066 81 Y CA 0.578 58.793 58.100 0.192 0.000 1.990 81 Y CB -1.619 36.945 38.460 0.173 0.000 1.619 81 Y HN 0.322 nan 8.280 nan 0.000 0.649 82 L N 0.793 122.142 121.223 0.209 0.000 2.399 82 L HA 0.562 4.902 4.340 -0.000 0.000 0.266 82 L C 0.131 177.118 176.870 0.195 0.000 1.114 82 L CA -0.689 54.222 54.840 0.119 0.000 0.804 82 L CB 0.778 42.853 42.059 0.028 0.000 1.146 82 L HN 0.143 nan 8.230 nan 0.000 0.451 83 F N -1.636 118.331 119.950 0.028 0.000 2.668 83 F HA 0.555 5.082 4.527 -0.000 0.000 0.309 83 F C -0.765 175.014 175.800 -0.034 0.000 1.117 83 F CA -0.917 57.079 58.000 -0.006 0.000 0.951 83 F CB 1.194 40.167 39.000 -0.044 0.000 1.323 83 F HN 0.163 nan 8.300 nan 0.000 0.451 84 T N 3.197 117.794 114.554 0.071 0.000 2.767 84 T HA 0.479 4.829 4.350 -0.000 0.000 0.288 84 T C -0.706 174.036 174.700 0.071 0.000 0.963 84 T CA -0.370 61.708 62.100 -0.037 0.000 1.019 84 T CB 1.261 70.103 68.868 -0.044 0.000 0.923 84 T HN 0.791 nan 8.240 nan 0.000 0.468 85 L N 4.730 125.945 121.223 -0.014 0.000 2.260 85 L HA 0.441 4.781 4.340 -0.000 0.000 0.289 85 L C -1.234 175.674 176.870 0.063 0.000 1.057 85 L CA -0.766 54.104 54.840 0.051 0.000 0.811 85 L CB 0.196 42.257 42.059 0.004 0.000 1.184 85 L HN 0.621 nan 8.230 nan 0.000 0.429 86 Y N 5.323 125.568 120.300 -0.092 0.000 2.587 86 Y HA 0.380 4.930 4.550 -0.000 0.000 0.328 86 Y C -0.375 175.443 175.900 -0.136 0.000 0.980 86 Y CA -1.380 56.648 58.100 -0.119 0.000 1.272 86 Y CB 0.540 38.945 38.460 -0.091 0.000 1.094 86 Y HN 0.624 nan 8.280 nan 0.000 0.503 87 E N 6.065 126.252 120.200 -0.023 0.000 2.338 87 E HA 0.360 4.710 4.350 -0.000 0.000 0.272 87 E C -1.032 175.397 176.600 -0.285 0.000 1.029 87 E CA -0.220 56.083 56.400 -0.161 0.000 0.872 87 E CB 1.327 30.961 29.700 -0.111 0.000 1.015 87 E HN 0.565 nan 8.360 nan 0.000 0.417 88 L N 2.075 123.110 121.223 -0.314 0.000 2.385 88 L HA 0.711 5.051 4.340 -0.000 0.000 0.273 88 L C 0.131 176.893 176.870 -0.181 0.000 0.990 88 L CA -0.598 54.047 54.840 -0.325 0.000 0.821 88 L CB 2.054 43.834 42.059 -0.466 0.000 1.279 88 L HN 0.682 nan 8.230 nan 0.000 0.412 89 G N 0.824 109.543 108.800 -0.135 0.000 2.576 89 G HA2 0.247 4.207 3.960 -0.000 0.000 0.290 89 G HA3 0.247 4.207 3.960 -0.000 0.000 0.290 89 G C -0.965 173.888 174.900 -0.079 0.000 1.442 89 G CA -0.458 44.588 45.100 -0.090 0.000 0.792 89 G HN 0.453 nan 8.290 nan 0.000 0.491 90 D N 0.537 120.896 120.400 -0.067 0.000 2.323 90 D HA 0.159 4.799 4.640 -0.000 0.000 0.239 90 D C 1.394 177.668 176.300 -0.043 0.000 1.129 90 D CA 0.934 54.897 54.000 -0.062 0.000 0.865 90 D CB 0.332 41.093 40.800 -0.065 0.000 0.913 90 D HN 0.571 nan 8.370 nan 0.000 0.517 91 T N -3.724 110.809 114.554 -0.034 0.000 2.724 91 T HA 0.277 4.627 4.350 -0.000 0.000 0.274 91 T C 0.558 175.248 174.700 -0.016 0.000 0.984 91 T CA -0.729 61.358 62.100 -0.022 0.000 1.024 91 T CB 1.805 70.663 68.868 -0.016 0.000 1.320 91 T HN -0.323 nan 8.240 nan 0.000 0.555 92 D N 0.585 120.981 120.400 -0.007 0.000 2.354 92 D HA 0.007 4.647 4.640 -0.000 0.000 0.209 92 D C 0.968 177.269 176.300 0.001 0.000 1.015 92 D CA 0.376 54.376 54.000 0.001 0.000 0.867 92 D CB -0.017 40.785 40.800 0.003 0.000 0.933 92 D HN 0.766 nan 8.370 nan 0.000 0.520 93 D N 1.878 122.276 120.400 -0.003 0.000 2.488 93 D HA -0.087 4.553 4.640 -0.000 0.000 0.260 93 D C 0.180 176.473 176.300 -0.011 0.000 1.273 93 D CA 0.118 54.116 54.000 -0.003 0.000 0.912 93 D CB -0.778 40.023 40.800 0.002 0.000 0.982 93 D HN 0.006 nan 8.370 nan 0.000 0.492 94 T N -2.238 112.308 114.554 -0.013 0.000 2.859 94 T HA 0.511 4.861 4.350 -0.000 0.000 0.281 94 T C -0.151 174.537 174.700 -0.020 0.000 1.005 94 T CA -0.976 61.110 62.100 -0.025 0.000 1.025 94 T CB 2.350 71.201 68.868 -0.029 0.000 0.977 94 T HN 0.365 nan 8.240 nan 0.000 0.458 95 E N 1.127 121.305 120.200 -0.036 0.000 2.320 95 E HA 0.669 5.019 4.350 -0.000 0.000 0.264 95 E C -1.595 174.963 176.600 -0.070 0.000 0.923 95 E CA -1.274 55.096 56.400 -0.051 0.000 0.796 95 E CB 2.157 31.834 29.700 -0.038 0.000 1.262 95 E HN 0.426 nan 8.360 nan 0.000 0.428 96 V N 1.568 121.395 119.914 -0.145 0.000 2.448 96 V HA 0.555 4.675 4.120 -0.000 0.000 0.295 96 V C -0.307 175.695 176.094 -0.152 0.000 1.025 96 V CA -0.673 61.508 62.300 -0.199 0.000 0.859 96 V CB 1.276 32.799 31.823 -0.500 0.000 0.988 96 V HN 0.705 nan 8.190 nan 0.000 0.431 97 R N 3.374 123.803 120.500 -0.117 0.000 2.604 97 R HA 0.710 5.050 4.340 -0.000 0.000 0.281 97 R C -1.922 174.286 176.300 -0.152 0.000 1.020 97 R CA -0.523 55.510 56.100 -0.111 0.000 0.899 97 R CB 2.373 32.635 30.300 -0.063 0.000 1.205 97 R HN 0.486 nan 8.270 nan 0.000 0.450 98 V N 5.769 125.581 119.914 -0.170 0.000 2.461 98 V HA 0.314 4.434 4.120 -0.000 0.000 0.275 98 V C 0.305 176.226 176.094 -0.289 0.000 1.047 98 V CA -0.535 61.628 62.300 -0.229 0.000 0.955 98 V CB 1.291 33.009 31.823 -0.176 0.000 0.988 98 V HN 0.570 nan 8.190 nan 0.000 0.471 99 I N 4.235 124.497 120.570 -0.512 0.000 2.353 99 I HA 0.425 4.595 4.170 -0.000 0.000 0.293 99 I C 1.122 177.019 176.117 -0.366 0.000 0.992 99 I CA 0.071 61.060 61.300 -0.519 0.000 1.268 99 I CB 1.318 38.739 38.000 -0.964 0.000 1.387 99 I HN 0.726 nan 8.210 nan 0.000 0.478 100 G N 2.673 111.442 108.800 -0.052 0.000 3.735 100 G HA2 0.037 3.997 3.960 -0.000 0.000 0.283 100 G HA3 0.037 3.997 3.960 -0.000 0.000 0.283 100 G C 0.865 175.939 174.900 0.290 0.000 1.007 100 G CA 0.174 45.339 45.100 0.108 0.000 0.821 100 G HN 0.623 nan 8.290 nan 0.000 0.505 101 S N -0.137 115.707 115.700 0.241 0.000 2.562 101 S HA 0.287 4.757 4.470 -0.000 0.000 0.221 101 S C 0.742 175.487 174.600 0.242 0.000 0.975 101 S CA -0.157 58.174 58.200 0.218 0.000 0.918 101 S CB 0.034 63.337 63.200 0.172 0.000 0.772 101 S HN 0.203 nan 8.310 nan 0.000 0.531 102 I N 2.699 123.453 120.570 0.307 0.000 2.321 102 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 102 I C 0.724 176.984 176.117 0.238 0.000 0.998 102 I CA -0.474 61.011 61.300 0.309 0.000 1.227 102 I CB 1.916 40.178 38.000 0.436 0.000 1.368 102 I HN 0.254 nan 8.210 nan 0.000 0.466 103 S N 2.174 117.919 115.700 0.074 0.000 2.523 103 S HA 0.262 4.732 4.470 -0.000 0.000 0.217 103 S C 0.082 174.417 174.600 -0.441 0.000 0.996 103 S CA -0.250 57.928 58.200 -0.038 0.000 0.921 103 S CB 0.278 63.479 63.200 0.002 0.000 0.829 103 S HN 0.716 nan 8.310 nan 0.000 0.495 107 L N 1.394 122.590 121.223 -0.044 0.000 2.322 107 L HA 0.554 4.894 4.340 -0.000 0.000 0.281 107 L C 1.169 177.990 176.870 -0.082 0.000 1.014 107 L CA -0.361 54.443 54.840 -0.060 0.000 0.815 107 L CB 1.869 43.913 42.059 -0.024 0.000 1.247 107 L HN 0.898 nan 8.230 nan 0.000 0.421 108 A N 2.137 124.875 122.820 -0.136 0.000 1.908 108 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 108 A C 1.865 179.469 177.584 0.033 0.000 1.181 108 A CA 1.577 53.548 52.037 -0.110 0.000 0.627 108 A CB -0.359 18.577 19.000 -0.108 0.000 0.818 108 A HN 0.901 nan 8.150 nan 0.000 0.445 109 E N -0.451 119.761 120.200 0.020 0.000 2.333 109 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 109 E C 0.871 177.488 176.600 0.030 0.000 1.007 109 E CA 0.940 57.359 56.400 0.032 0.000 0.845 109 E CB -0.111 29.597 29.700 0.014 0.000 0.766 109 E HN 0.545 nan 8.360 nan 0.000 0.507 110 D N -0.358 120.055 120.400 0.021 0.000 2.289 110 D HA 0.011 4.651 4.640 -0.000 0.000 0.207 110 D C 0.197 176.519 176.300 0.036 0.000 0.966 110 D CA 0.590 54.603 54.000 0.023 0.000 0.868 110 D CB 0.626 41.435 40.800 0.016 0.000 0.943 110 D HN -0.073 nan 8.370 nan 0.000 0.514 111 S N -1.413 114.318 115.700 0.051 0.000 2.484 111 S HA 0.362 4.832 4.470 -0.000 0.000 0.330 111 S C 0.267 174.939 174.600 0.121 0.000 0.882 111 S CA -0.015 58.229 58.200 0.073 0.000 0.851 111 S CB 0.193 63.426 63.200 0.055 0.000 1.146 111 S HN 0.006 nan 8.310 nan 0.000 0.466 112 A N 3.487 126.420 122.820 0.188 0.000 1.930 112 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 112 A C 1.865 179.630 177.584 0.302 0.000 1.175 112 A CA 2.042 54.294 52.037 0.358 0.000 0.627 112 A CB -0.681 18.509 19.000 0.317 0.000 0.815 112 A HN 0.815 nan 8.150 nan 0.000 0.443 113 Q N -0.129 119.776 119.800 0.174 0.000 2.167 113 Q HA 0.032 4.372 4.340 -0.000 0.000 0.202 113 Q C 1.977 178.046 176.000 0.115 0.000 0.970 113 Q CA 1.810 57.696 55.803 0.138 0.000 0.855 113 Q CB -0.569 28.224 28.738 0.091 0.000 0.911 113 Q HN 0.556 nan 8.270 nan 0.000 0.438 114 A N 0.002 122.875 122.820 0.089 0.000 1.930 114 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 114 A C 1.934 179.545 177.584 0.045 0.000 1.175 114 A CA 1.415 53.485 52.037 0.055 0.000 0.627 114 A CB -0.737 18.284 19.000 0.035 0.000 0.815 114 A HN 0.465 nan 8.150 nan 0.000 0.443 115 L N 0.077 121.325 121.223 0.042 0.000 2.027 115 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 115 L C 2.193 179.100 176.870 0.062 0.000 1.074 115 L CA 1.675 56.492 54.840 -0.038 0.000 0.745 115 L CB -0.558 41.343 42.059 -0.264 0.000 0.898 115 L HN 0.422 nan 8.230 nan 0.000 0.433 116 I N -0.118 120.581 120.570 0.216 0.000 2.208 116 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 116 I C 2.016 178.221 176.117 0.146 0.000 1.097 116 I CA 1.432 62.877 61.300 0.241 0.000 1.363 116 I CB -0.598 37.548 38.000 0.243 0.000 1.051 116 I HN 0.294 nan 8.210 nan 0.000 0.413 117 D N 0.748 121.212 120.400 0.106 0.000 2.144 117 D HA -0.204 4.436 4.640 -0.000 0.000 0.199 117 D C 2.055 178.393 176.300 0.064 0.000 0.984 117 D CA 1.187 55.232 54.000 0.076 0.000 0.834 117 D CB -0.173 40.660 40.800 0.055 0.000 0.955 117 D HN 0.154 nan 8.370 nan 0.000 0.465 118 K N 0.981 121.409 120.400 0.046 0.000 2.002 118 K HA -0.033 4.287 4.320 -0.000 0.000 0.209 118 K C 2.110 178.737 176.600 0.045 0.000 1.048 118 K CA 0.894 57.196 56.287 0.025 0.000 0.930 118 K CB -0.639 31.854 32.500 -0.011 0.000 0.714 118 K HN 0.110 nan 8.250 nan 0.000 0.438 119 L N 0.067 121.325 121.223 0.057 0.000 2.191 119 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 119 L C 2.036 179.052 176.870 0.242 0.000 1.103 119 L CA 1.147 56.042 54.840 0.093 0.000 0.769 119 L CB -0.427 41.693 42.059 0.101 0.000 0.908 119 L HN 0.267 nan 8.230 nan 0.000 0.438 120 A N -1.427 121.508 122.820 0.192 0.000 2.275 120 A HA 0.146 4.466 4.320 -0.000 0.000 0.212 120 A C 1.075 178.735 177.584 0.127 0.000 1.201 120 A CA -0.103 52.043 52.037 0.182 0.000 0.843 120 A CB -0.050 19.026 19.000 0.126 0.000 0.873 120 A HN 0.214 nan 8.150 nan 0.000 0.492 121 S N 1.502 117.265 115.700 0.105 0.000 2.549 121 S HA 0.257 4.727 4.470 -0.000 0.000 0.279 121 S C -1.567 173.075 174.600 0.070 0.000 1.321 121 S CA -0.767 57.471 58.200 0.064 0.000 1.054 121 S CB 0.986 64.208 63.200 0.036 0.000 0.899 121 S HN 0.224 nan 8.310 nan 0.000 0.497 122 P HA -0.166 nan 4.420 nan 0.000 0.218 122 P C 1.460 178.765 177.300 0.008 0.000 1.148 122 P CA 0.819 63.940 63.100 0.036 0.000 0.822 122 P CB 0.074 31.782 31.700 0.013 0.000 0.784 123 E N -0.507 119.677 120.200 -0.025 0.000 2.274 123 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 123 E C 0.608 177.153 176.600 -0.093 0.000 0.996 123 E CA 0.690 57.033 56.400 -0.095 0.000 0.840 123 E CB -0.553 29.080 29.700 -0.112 0.000 0.772 123 E HN 0.176 nan 8.360 nan 0.000 0.491 124 I N 2.535 123.109 120.570 0.006 0.000 2.421 124 I HA 0.103 4.273 4.170 -0.000 0.000 0.291 124 I C 1.232 177.447 176.117 0.163 0.000 1.089 124 I CA 0.169 61.507 61.300 0.063 0.000 1.354 124 I CB 0.714 38.759 38.000 0.075 0.000 1.413 124 I HN 0.054 nan 8.210 nan 0.000 0.513 125 R N 5.039 125.662 120.500 0.205 0.000 2.373 125 R HA 0.443 4.783 4.340 -0.000 0.000 0.221 125 R C -0.081 176.497 176.300 0.463 0.000 0.893 125 R CA 0.271 56.573 56.100 0.337 0.000 1.049 125 R CB 0.828 31.316 30.300 0.313 0.000 1.119 125 R HN 0.454 nan 8.270 nan 0.000 0.535 126 I N 0.742 121.565 120.570 0.421 0.000 2.569 126 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 126 I C -1.036 175.159 176.117 0.130 0.000 1.088 126 I CA -1.052 60.471 61.300 0.371 0.000 1.047 126 I CB 2.923 41.224 38.000 0.503 0.000 1.237 126 I HN -0.294 nan 8.210 nan 0.000 0.421 127 V N 5.058 124.927 119.914 -0.075 0.000 2.357 127 V HA 0.382 4.502 4.120 -0.000 0.000 0.284 127 V C 0.168 176.249 176.094 -0.021 0.000 1.018 127 V CA -0.368 61.786 62.300 -0.245 0.000 0.841 127 V CB 1.576 32.964 31.823 -0.724 0.000 0.991 127 V HN 0.868 nan 8.190 nan 0.000 0.437 128 S N 6.384 122.120 115.700 0.060 0.000 2.690 128 S HA 0.888 5.358 4.470 -0.000 0.000 0.291 128 S C -0.792 173.749 174.600 -0.098 0.000 1.138 128 S CA -0.850 57.449 58.200 0.165 0.000 1.013 128 S CB 1.796 65.269 63.200 0.455 0.000 1.053 128 S HN 0.453 nan 8.310 nan 0.000 0.539 129 L N 1.319 122.564 121.223 0.037 0.000 2.409 129 L HA 0.591 4.931 4.340 -0.000 0.000 0.272 129 L C -0.659 176.296 176.870 0.143 0.000 0.980 129 L CA -0.734 54.061 54.840 -0.076 0.000 0.826 129 L CB 2.512 44.590 42.059 0.031 0.000 1.268 129 L HN 0.974 nan 8.230 nan 0.000 0.407 130 T N -0.244 114.362 114.554 0.086 0.000 3.141 130 T HA 0.437 4.787 4.350 -0.000 0.000 0.377 130 T C 0.340 175.099 174.700 0.098 0.000 1.258 130 T CA -0.441 61.804 62.100 0.242 0.000 1.263 130 T CB 0.187 69.302 68.868 0.411 0.000 1.066 130 T HN 0.608 nan 8.240 nan 0.000 0.546 131 I N -0.025 120.563 120.570 0.030 0.000 3.927 131 I HA 0.384 4.554 4.170 -0.000 0.000 0.332 131 I C 0.320 176.434 176.117 -0.006 0.000 1.485 131 I CA -0.337 60.922 61.300 -0.067 0.000 1.131 131 I CB -0.625 37.217 38.000 -0.263 0.000 1.092 131 I HN 0.839 nan 8.210 nan 0.000 0.410 132 T N -1.815 112.793 114.554 0.090 0.000 0.541 132 T HA -0.182 4.168 4.350 -0.000 0.000 0.774 132 T C 0.439 175.242 174.700 0.172 0.000 0.992 132 T CA 0.684 62.847 62.100 0.106 0.000 4.077 132 T CB -0.829 68.076 68.868 0.061 0.000 2.303 132 T HN 0.516 nan 8.240 nan 0.000 0.398 133 E N 1.234 121.499 120.200 0.109 0.000 2.209 133 E HA 0.123 4.473 4.350 -0.000 0.000 0.196 133 E C 2.139 178.815 176.600 0.127 0.000 0.993 133 E CA 1.814 58.267 56.400 0.088 0.000 0.819 133 E CB -0.626 29.009 29.700 -0.108 0.000 0.745 133 E HN 0.958 nan 8.360 nan 0.000 0.477 134 G N -0.661 108.196 108.800 0.095 0.000 3.434 134 G HA2 0.163 4.123 3.960 -0.000 0.000 0.258 134 G HA3 0.163 4.123 3.960 -0.000 0.000 0.258 134 G C 1.084 176.066 174.900 0.137 0.000 1.128 134 G CA 0.144 45.305 45.100 0.103 0.000 0.792 134 G HN 0.322 nan 8.290 nan 0.000 0.539 135 G N -0.079 108.808 108.800 0.145 0.000 2.744 135 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.211 135 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.211 135 G C 1.020 175.898 174.900 -0.037 0.000 1.143 135 G CA 0.226 45.316 45.100 -0.017 0.000 0.788 135 G HN 0.448 nan 8.290 nan 0.000 0.534 136 Y N -1.045 119.398 120.300 0.239 0.000 2.511 136 Y HA 0.192 4.742 4.550 -0.000 0.000 0.279 136 Y C 1.684 177.815 175.900 0.384 0.000 1.157 136 Y CA -0.903 57.448 58.100 0.419 0.000 1.300 136 Y CB -0.316 38.316 38.460 0.286 0.000 1.052 136 Y HN 0.168 nan 8.280 nan 0.000 0.529 137 C N 1.538 121.018 119.300 0.299 0.000 4.268 137 C HA -0.177 4.283 4.460 -0.000 0.000 0.299 137 C C -0.128 174.889 174.990 0.046 0.000 1.429 137 C CA -0.620 58.437 59.018 0.065 0.000 2.018 137 C CB -2.797 24.861 27.740 -0.138 0.000 1.277 137 C HN 0.216 nan 8.230 nan 0.000 0.767 138 I N 1.312 121.975 120.570 0.155 0.000 2.382 138 I HA 0.278 4.448 4.170 -0.000 0.000 0.286 138 I C 0.216 176.376 176.117 0.071 0.000 1.002 138 I CA -0.092 61.292 61.300 0.141 0.000 1.135 138 I CB 1.197 39.305 38.000 0.180 0.000 1.288 138 I HN 0.231 nan 8.210 nan 0.000 0.448 139 D N 5.839 126.263 120.400 0.039 0.000 2.358 139 D HA 0.006 4.646 4.640 -0.000 0.000 0.258 139 D C 0.834 177.150 176.300 0.026 0.000 1.223 139 D CA 0.170 54.181 54.000 0.020 0.000 0.886 139 D CB 1.248 42.054 40.800 0.010 0.000 1.120 139 D HN 0.397 nan 8.370 nan 0.000 0.482 140 D N 1.995 122.405 120.400 0.017 0.000 2.178 140 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 140 D C 1.913 178.225 176.300 0.019 0.000 0.980 140 D CA 1.095 55.106 54.000 0.019 0.000 0.842 140 D CB 0.228 41.033 40.800 0.008 0.000 0.948 140 D HN 0.527 nan 8.370 nan 0.000 0.472 141 S N 1.875 117.584 115.700 0.016 0.000 2.348 141 S HA -0.193 4.277 4.470 -0.000 0.000 0.221 141 S C 1.478 176.089 174.600 0.019 0.000 1.033 141 S CA 1.424 59.635 58.200 0.019 0.000 1.010 141 S CB -0.383 62.829 63.200 0.020 0.000 0.891 141 S HN 0.269 nan 8.310 nan 0.000 0.442 142 N N 0.343 119.056 118.700 0.021 0.000 2.184 142 N HA 0.319 5.059 4.740 -0.000 0.000 0.206 142 N C 1.117 176.642 175.510 0.026 0.000 1.151 142 N CA 0.409 53.472 53.050 0.021 0.000 0.878 142 N CB -0.205 38.295 38.487 0.022 0.000 1.014 142 N HN 0.637 nan 8.380 nan 0.000 0.512 143 G N 0.461 109.279 108.800 0.030 0.000 2.187 143 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.261 143 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.261 143 G C -0.292 174.641 174.900 0.056 0.000 1.000 143 G CA 0.767 45.890 45.100 0.038 0.000 0.718 143 G HN 0.847 nan 8.290 nan 0.000 0.519 144 E N -0.554 119.681 120.200 0.058 0.000 2.242 144 E HA 0.699 5.049 4.350 -0.000 0.000 0.275 144 E C 0.173 176.841 176.600 0.114 0.000 1.002 144 E CA -1.266 55.184 56.400 0.083 0.000 0.841 144 E CB 1.349 31.086 29.700 0.061 0.000 1.109 144 E HN 0.207 nan 8.360 nan 0.000 0.394 148 H N 0.603 119.629 119.070 -0.074 0.000 2.539 148 H HA 0.305 4.861 4.556 -0.000 0.000 0.267 148 H C 0.395 175.702 175.328 -0.036 0.000 0.982 148 H CA 0.203 56.227 56.048 -0.040 0.000 1.146 148 H CB -0.015 29.723 29.762 -0.040 0.000 1.382 148 H HN 0.375 nan 8.280 nan 0.000 0.577 149 L N 1.716 122.939 121.223 -0.000 0.000 2.485 149 L HA -0.001 4.339 4.340 -0.000 0.000 0.275 149 L C -0.909 175.998 176.870 0.061 0.000 1.207 149 L CA -1.325 53.522 54.840 0.011 0.000 0.855 149 L CB 0.535 42.575 42.059 -0.031 0.000 1.114 149 L HN -0.023 nan 8.230 nan 0.000 0.485 150 P HA -0.250 nan 4.420 nan 0.000 0.214 150 P C 1.291 178.672 177.300 0.134 0.000 1.163 150 P CA 1.203 64.356 63.100 0.089 0.000 0.889 150 P CB -0.003 31.734 31.700 0.061 0.000 0.790 151 Q N -0.811 119.061 119.800 0.121 0.000 2.170 151 Q HA -0.134 4.206 4.340 -0.000 0.000 0.203 151 Q C 1.901 178.053 176.000 0.253 0.000 0.976 151 Q CA 1.508 57.407 55.803 0.160 0.000 0.858 151 Q CB -1.175 27.627 28.738 0.108 0.000 0.907 151 Q HN 0.228 nan 8.270 nan 0.000 0.433 152 I N 1.443 122.151 120.570 0.230 0.000 2.202 152 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 152 I C 2.485 178.773 176.117 0.285 0.000 1.091 152 I CA 1.111 62.611 61.300 0.334 0.000 1.368 152 I CB -1.083 37.071 38.000 0.257 0.000 1.058 152 I HN 0.236 nan 8.210 nan 0.000 0.410 153 Q N -0.275 119.631 119.800 0.176 0.000 2.124 153 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 153 Q C 2.206 178.275 176.000 0.115 0.000 0.977 153 Q CA 1.280 57.148 55.803 0.109 0.000 0.850 153 Q CB -0.775 28.017 28.738 0.091 0.000 0.901 153 Q HN 0.615 nan 8.270 nan 0.000 0.429 154 H N 1.244 120.389 119.070 0.124 0.000 2.321 154 H HA -0.132 4.424 4.556 0.000 0.000 0.300 154 H C 0.758 176.196 175.328 0.183 0.000 1.087 154 H CA 1.717 57.866 56.048 0.167 0.000 1.319 154 H CB 0.339 30.196 29.762 0.157 0.000 1.379 154 H HN 0.119 nan 8.280 nan 0.000 0.501 155 D N 0.656 121.194 120.400 0.231 0.000 2.178 155 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 155 D C 2.613 178.976 176.300 0.105 0.000 0.980 155 D CA 0.608 54.742 54.000 0.223 0.000 0.842 155 D CB -0.220 40.860 40.800 0.466 0.000 0.948 155 D HN 0.390 nan 8.370 nan 0.000 0.472 156 L N 0.176 121.405 121.223 0.011 0.000 2.141 156 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 156 L C 2.318 179.019 176.870 -0.281 0.000 1.094 156 L CA 0.985 55.679 54.840 -0.243 0.000 0.763 156 L CB -0.315 41.571 42.059 -0.289 0.000 0.908 156 L HN -0.004 nan 8.230 nan 0.000 0.437 157 A N -1.726 120.911 122.820 -0.305 0.000 2.016 157 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 157 A C 0.824 177.914 177.584 -0.823 0.000 1.162 157 A CA 0.769 52.491 52.037 -0.526 0.000 0.662 157 A CB -0.151 18.522 19.000 -0.546 0.000 0.812 157 A HN 0.432 nan 8.150 nan 0.000 0.450 158 H N -1.057 117.858 119.070 -0.259 0.000 2.439 158 H HA 0.176 4.732 4.556 0.000 0.000 0.228 158 H C -2.196 173.062 175.328 -0.118 0.000 1.423 158 H CA -1.331 54.592 56.048 -0.208 0.000 1.386 158 H CB 0.528 30.096 29.762 -0.323 0.000 1.641 158 H HN 0.312 nan 8.280 nan 0.000 0.508 159 P HA -0.086 nan 4.420 nan 0.000 0.221 159 P C 1.125 178.459 177.300 0.057 0.000 1.145 159 P CA 0.892 64.046 63.100 0.090 0.000 0.795 159 P CB 0.441 32.223 31.700 0.136 0.000 0.775 160 S N -1.260 114.468 115.700 0.047 0.000 2.575 160 S HA 0.092 4.562 4.470 -0.000 0.000 0.215 160 S C 1.134 175.753 174.600 0.030 0.000 0.966 160 S CA 0.110 58.333 58.200 0.038 0.000 0.911 160 S CB -0.249 62.979 63.200 0.047 0.000 0.780 160 S HN 0.078 nan 8.310 nan 0.000 0.514 161 S N 2.823 118.544 115.700 0.034 0.000 2.399 161 S HA 0.294 4.764 4.470 -0.000 0.000 0.198 161 S C -2.816 171.824 174.600 0.067 0.000 1.294 161 S CA -1.395 56.835 58.200 0.051 0.000 1.237 161 S CB 0.266 63.522 63.200 0.093 0.000 1.286 161 S HN 0.158 nan 8.310 nan 0.000 0.404 162 P HA 0.308 nan 4.420 nan 0.000 0.272 162 P C -0.097 177.037 177.300 -0.276 0.000 1.240 162 P CA -0.246 62.701 63.100 -0.256 0.000 0.791 162 P CB 1.022 32.368 31.700 -0.590 0.000 0.978 163 K N -0.883 119.512 120.400 -0.010 0.000 2.436 163 K HA 0.112 4.431 4.320 -0.000 0.000 0.198 163 K C 1.009 177.719 176.600 0.183 0.000 1.174 163 K CA 0.368 56.721 56.287 0.111 0.000 0.951 163 K CB 0.270 32.767 32.500 -0.005 0.000 1.040 163 K HN 0.591 nan 8.250 nan 0.000 0.536 164 T N -1.964 112.659 114.554 0.115 0.000 2.881 164 T HA 0.149 4.499 4.350 -0.000 0.000 0.278 164 T C 1.260 175.977 174.700 0.029 0.000 0.982 164 T CA -0.773 61.373 62.100 0.076 0.000 0.989 164 T CB 1.769 70.700 68.868 0.106 0.000 1.058 164 T HN -0.160 nan 8.240 nan 0.000 0.529 165 V N 0.916 120.699 119.914 -0.219 0.000 2.332 165 V HA -0.068 4.052 4.120 -0.000 0.000 0.248 165 V C 2.062 177.913 176.094 -0.406 0.000 1.055 165 V CA 1.834 63.917 62.300 -0.362 0.000 1.038 165 V CB -1.124 30.305 31.823 -0.657 0.000 0.651 165 V HN 0.866 nan 8.190 nan 0.000 0.450 166 F N 1.224 121.051 119.950 -0.204 0.000 2.186 166 F HA 0.094 4.621 4.527 0.000 0.000 0.299 166 F C 2.491 177.989 175.800 -0.504 0.000 1.090 166 F CA 1.256 58.994 58.000 -0.436 0.000 1.307 166 F CB -1.339 37.131 39.000 -0.883 0.000 1.019 166 F HN 0.272 nan 8.300 nan 0.000 0.489 167 G N -0.254 108.368 108.800 -0.298 0.000 2.418 167 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 167 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 167 G C 1.572 176.456 174.900 -0.027 0.000 1.158 167 G CA 0.610 45.694 45.100 -0.027 0.000 0.771 167 G HN 0.293 nan 8.290 nan 0.000 0.545 168 F N 0.522 120.497 119.950 0.041 0.000 2.146 168 F HA 0.117 4.644 4.527 0.000 0.000 0.298 168 F C 2.608 178.466 175.800 0.096 0.000 1.096 168 F CA 0.635 58.668 58.000 0.056 0.000 1.275 168 F CB -0.056 38.942 39.000 -0.004 0.000 1.008 168 F HN 0.043 nan 8.300 nan 0.000 0.480 169 I N -1.288 119.437 120.570 0.257 0.000 2.226 169 I HA -0.347 3.823 4.170 -0.000 0.000 0.245 169 I C 2.405 178.725 176.117 0.339 0.000 1.100 169 I CA 0.873 62.372 61.300 0.332 0.000 1.374 169 I CB -0.507 37.670 38.000 0.295 0.000 1.057 169 I HN 0.248 nan 8.210 nan 0.000 0.413 170 C N 0.548 119.999 119.300 0.251 0.000 2.432 170 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 170 C C 3.200 178.263 174.990 0.121 0.000 1.249 170 C CA 1.017 60.149 59.018 0.190 0.000 1.725 170 C CB -1.098 26.775 27.740 0.222 0.000 2.028 170 C HN 0.605 nan 8.230 nan 0.000 0.477 171 A N 0.346 123.248 122.820 0.136 0.000 1.908 171 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 171 A C 2.342 179.999 177.584 0.121 0.000 1.181 171 A CA 2.226 54.324 52.037 0.101 0.000 0.627 171 A CB -0.909 18.141 19.000 0.083 0.000 0.818 171 A HN 0.601 nan 8.150 nan 0.000 0.445 172 A N -0.455 122.490 122.820 0.209 0.000 1.898 172 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 172 A C 2.171 179.849 177.584 0.155 0.000 1.181 172 A CA 1.426 53.610 52.037 0.245 0.000 0.620 172 A CB -0.550 18.699 19.000 0.416 0.000 0.819 172 A HN 0.469 nan 8.150 nan 0.000 0.442 173 L N -0.041 121.250 121.223 0.113 0.000 2.056 173 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 173 L C 3.030 179.802 176.870 -0.163 0.000 1.078 173 L CA 1.815 56.623 54.840 -0.053 0.000 0.749 173 L CB -0.832 41.241 42.059 0.023 0.000 0.901 173 L HN 0.663 nan 8.230 nan 0.000 0.433 174 T N -3.389 111.088 114.554 -0.129 0.000 2.821 174 T HA -0.274 4.076 4.350 -0.000 0.000 0.267 174 T C 1.765 176.367 174.700 -0.163 0.000 1.046 174 T CA 1.267 63.241 62.100 -0.211 0.000 1.139 174 T CB -0.248 68.539 68.868 -0.135 0.000 0.871 174 T HN 0.322 nan 8.240 nan 0.000 0.454 175 Q N 0.812 120.571 119.800 -0.068 0.000 2.079 175 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 175 Q C 2.604 178.573 176.000 -0.051 0.000 0.974 175 Q CA 1.000 56.780 55.803 -0.037 0.000 0.840 175 Q CB -0.040 28.711 28.738 0.023 0.000 0.898 175 Q HN 0.560 nan 8.270 nan 0.000 0.430 176 R N -0.203 120.269 120.500 -0.047 0.000 2.075 176 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 176 R C 2.491 178.733 176.300 -0.097 0.000 1.126 176 R CA 1.439 57.516 56.100 -0.037 0.000 0.963 176 R CB -0.302 29.989 30.300 -0.014 0.000 0.858 176 R HN 0.184 nan 8.270 nan 0.000 0.435 177 R N 0.703 121.063 120.500 -0.233 0.000 2.081 177 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 177 R C 2.125 178.282 176.300 -0.238 0.000 1.131 177 R CA 1.581 57.462 56.100 -0.365 0.000 0.960 177 R CB -0.233 29.549 30.300 -0.864 0.000 0.856 177 R HN 0.241 nan 8.270 nan 0.000 0.436 178 A N 0.162 122.865 122.820 -0.196 0.000 2.019 178 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 178 A C 1.983 179.520 177.584 -0.078 0.000 1.164 178 A CA 1.534 53.493 52.037 -0.129 0.000 0.644 178 A CB -0.317 18.622 19.000 -0.102 0.000 0.805 178 A HN 0.490 nan 8.150 nan 0.000 0.449 179 A N -1.753 121.030 122.820 -0.061 0.000 2.308 179 A HA 0.448 4.768 4.320 -0.000 0.000 0.217 179 A C 1.600 179.172 177.584 -0.020 0.000 1.216 179 A CA 0.965 52.984 52.037 -0.030 0.000 0.864 179 A CB -0.857 18.135 19.000 -0.014 0.000 0.902 179 A HN 1.806 nan 8.150 nan 0.000 0.499 180 G N -0.266 108.517 108.800 -0.028 0.000 2.198 180 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 180 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 180 G C -0.001 174.912 174.900 0.021 0.000 1.025 180 G CA 0.498 45.597 45.100 -0.002 0.000 0.769 180 G HN 0.495 nan 8.290 nan 0.000 0.507 181 I N 1.824 122.406 120.570 0.021 0.000 2.353 181 I HA 0.313 4.483 4.170 -0.000 0.000 0.293 181 I C -1.410 174.749 176.117 0.070 0.000 0.992 181 I CA -2.504 58.820 61.300 0.040 0.000 1.268 181 I CB 1.529 39.550 38.000 0.035 0.000 1.387 181 I HN -0.073 nan 8.210 nan 0.000 0.478 182 P HA 0.099 nan 4.420 nan 0.000 0.269 182 P C -0.481 176.861 177.300 0.071 0.000 1.215 182 P CA -0.324 62.835 63.100 0.098 0.000 0.780 182 P CB 0.615 32.364 31.700 0.080 0.000 0.898 183 A N 2.126 124.975 122.820 0.047 0.000 2.386 183 A HA 0.472 4.792 4.320 -0.000 0.000 0.246 183 A C 0.213 177.741 177.584 -0.093 0.000 1.089 183 A CA -0.203 51.754 52.037 -0.133 0.000 0.790 183 A CB -0.534 18.354 19.000 -0.187 0.000 1.042 183 A HN 0.495 nan 8.150 nan 0.000 0.497 184 F N -1.390 118.616 119.950 0.092 0.000 2.457 184 F HA 0.714 5.241 4.527 0.000 0.000 0.330 184 F C 0.428 176.233 175.800 0.009 0.000 1.069 184 F CA -1.176 56.877 58.000 0.088 0.000 1.009 184 F CB -0.132 38.935 39.000 0.111 0.000 1.276 184 F HN 0.351 nan 8.300 nan 0.000 0.492 185 T N 1.269 116.036 114.554 0.355 0.000 2.909 185 T HA 0.582 4.932 4.350 -0.000 0.000 0.286 185 T C 0.011 174.802 174.700 0.151 0.000 1.002 185 T CA -0.416 61.743 62.100 0.099 0.000 1.074 185 T CB 1.591 70.493 68.868 0.056 0.000 0.984 185 T HN 0.488 nan 8.240 nan 0.000 0.495 189 C N 3.280 122.749 119.300 0.281 0.000 2.849 189 C HA 0.445 4.905 4.460 -0.000 0.000 0.271 189 C C 0.206 175.325 174.990 0.216 0.000 1.519 189 C CA -0.667 58.488 59.018 0.228 0.000 1.783 189 C CB -1.460 26.409 27.740 0.214 0.000 2.869 189 C HN 0.731 nan 8.230 nan 0.000 0.527 190 D N 1.312 121.838 120.400 0.210 0.000 2.294 190 D HA 0.131 4.771 4.640 -0.000 0.000 0.250 190 D C -0.262 176.081 176.300 0.071 0.000 1.058 190 D CA 0.092 54.187 54.000 0.158 0.000 0.950 190 D CB 0.730 41.708 40.800 0.297 0.000 1.158 190 D HN 0.229 nan 8.370 nan 0.000 0.453 191 N N 1.690 120.423 118.700 0.056 0.000 2.739 191 N HA 0.178 4.918 4.740 -0.000 0.000 0.266 191 N C -0.794 174.803 175.510 0.146 0.000 1.168 191 N CA -0.060 53.043 53.050 0.087 0.000 1.055 191 N CB 0.199 38.781 38.487 0.157 0.000 1.393 191 N HN 0.167 nan 8.380 nan 0.000 0.514 192 L N 1.877 123.131 121.223 0.051 0.000 2.409 192 L HA 0.520 4.860 4.340 -0.000 0.000 0.262 192 L C -2.356 174.509 176.870 -0.008 0.000 0.992 192 L CA -1.880 52.973 54.840 0.021 0.000 0.817 192 L CB 2.016 44.018 42.059 -0.095 0.000 1.350 192 L HN 0.116 nan 8.230 nan 0.000 0.411 193 P HA 0.144 nan 4.420 nan 0.000 0.268 193 P C -0.749 176.504 177.300 -0.078 0.000 1.204 193 P CA 0.124 63.159 63.100 -0.109 0.000 0.768 193 P CB 0.186 31.876 31.700 -0.017 0.000 0.842 194 H N 1.298 120.380 119.070 0.020 0.000 2.604 194 H HA -0.167 4.389 4.556 0.000 0.000 0.321 194 H C 1.119 176.435 175.328 -0.019 0.000 1.132 194 H CA 0.740 56.795 56.048 0.012 0.000 1.129 194 H CB -1.763 28.003 29.762 0.006 0.000 1.526 194 H HN 0.582 nan 8.280 nan 0.000 0.415 195 N N 0.157 118.869 118.700 0.020 0.000 2.205 195 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 195 N C 2.055 177.565 175.510 -0.001 0.000 1.015 195 N CA 1.533 54.549 53.050 -0.057 0.000 0.862 195 N CB -0.768 37.691 38.487 -0.047 0.000 0.986 195 N HN 0.460 nan 8.380 nan 0.000 0.429 196 G N 0.233 109.091 108.800 0.095 0.000 2.394 196 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.214 196 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.214 196 G C 1.705 176.663 174.900 0.098 0.000 1.176 196 G CA 1.270 46.468 45.100 0.163 0.000 0.786 196 G HN 0.592 nan 8.290 nan 0.000 0.533 197 A N 0.133 122.993 122.820 0.067 0.000 1.978 197 A HA 0.069 4.389 4.320 -0.000 0.000 0.220 197 A C 2.567 180.116 177.584 -0.057 0.000 1.170 197 A CA 1.825 53.855 52.037 -0.011 0.000 0.636 197 A CB -0.505 18.499 19.000 0.007 0.000 0.810 197 A HN 0.261 nan 8.150 nan 0.000 0.448 198 V N -0.527 119.368 119.914 -0.032 0.000 2.379 198 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 198 V C 2.711 178.817 176.094 0.020 0.000 1.044 198 V CA 2.354 64.629 62.300 -0.043 0.000 1.036 198 V CB -1.207 30.531 31.823 -0.141 0.000 0.664 198 V HN 0.594 nan 8.190 nan 0.000 0.453 199 T N -0.200 114.387 114.554 0.056 0.000 2.720 199 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 199 T C 2.031 176.712 174.700 -0.032 0.000 1.037 199 T CA 1.942 64.217 62.100 0.293 0.000 1.144 199 T CB -0.255 68.883 68.868 0.449 0.000 0.864 199 T HN 0.407 nan 8.240 nan 0.000 0.444 200 R N 1.014 121.217 120.500 -0.494 0.000 2.073 200 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 200 R C 2.437 178.429 176.300 -0.513 0.000 1.134 200 R CA 1.716 57.105 56.100 -1.185 0.000 0.952 200 R CB -0.160 29.456 30.300 -1.140 0.000 0.850 200 R HN 0.156 nan 8.270 nan 0.000 0.433 201 K N 0.360 120.602 120.400 -0.264 0.000 2.063 201 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 201 K C 1.797 178.306 176.600 -0.152 0.000 1.048 201 K CA 1.836 58.038 56.287 -0.143 0.000 0.928 201 K CB -0.374 32.094 32.500 -0.054 0.000 0.713 201 K HN 0.300 nan 8.250 nan 0.000 0.442 202 A N 0.451 123.210 122.820 -0.102 0.000 1.873 202 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 202 A C 2.131 179.388 177.584 -0.544 0.000 1.186 202 A CA 1.583 53.443 52.037 -0.295 0.000 0.616 202 A CB -0.786 18.253 19.000 0.064 0.000 0.823 202 A HN 0.368 nan 8.150 nan 0.000 0.442 203 L N -0.204 120.944 121.223 -0.124 0.000 2.056 203 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 203 L C 2.255 179.115 176.870 -0.016 0.000 1.078 203 L CA 1.521 56.395 54.840 0.058 0.000 0.749 203 L CB -0.439 41.813 42.059 0.320 0.000 0.901 203 L HN 0.398 nan 8.230 nan 0.000 0.433 204 L N -0.911 120.246 121.223 -0.108 0.000 2.093 204 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 204 L C 2.640 179.525 176.870 0.025 0.000 1.085 204 L CA 1.109 55.913 54.840 -0.059 0.000 0.755 204 L CB -0.918 41.044 42.059 -0.160 0.000 0.904 204 L HN 0.378 nan 8.230 nan 0.000 0.435 205 A N -0.039 122.676 122.820 -0.174 0.000 1.877 205 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 205 A C 2.162 179.577 177.584 -0.282 0.000 1.186 205 A CA 1.515 53.417 52.037 -0.226 0.000 0.620 205 A CB -0.830 17.959 19.000 -0.353 0.000 0.822 205 A HN 0.390 nan 8.150 nan 0.000 0.443 206 F N 1.001 120.514 119.950 -0.729 0.000 2.134 206 F HA -0.061 4.466 4.527 0.000 0.000 0.299 206 F C 2.492 178.297 175.800 0.009 0.000 1.097 206 F CA 1.238 59.007 58.000 -0.386 0.000 1.264 206 F CB -0.364 38.371 39.000 -0.442 0.000 1.001 206 F HN 0.242 nan 8.300 nan 0.000 0.479 207 A N 0.394 123.276 122.820 0.103 0.000 1.933 207 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 207 A C 2.370 180.015 177.584 0.103 0.000 1.175 207 A CA 1.629 53.709 52.037 0.072 0.000 0.628 207 A CB -1.539 17.537 19.000 0.127 0.000 0.814 207 A HN 0.497 nan 8.150 nan 0.000 0.444 208 A N -0.334 122.548 122.820 0.102 0.000 2.019 208 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 208 A C 1.988 179.559 177.584 -0.022 0.000 1.164 208 A CA 1.259 53.319 52.037 0.039 0.000 0.644 208 A CB -0.539 18.432 19.000 -0.047 0.000 0.805 208 A HN 0.486 nan 8.150 nan 0.000 0.449 209 L N -1.418 119.767 121.223 -0.064 0.000 2.456 209 L HA -0.125 4.215 4.340 -0.000 0.000 0.224 209 L C 2.231 178.970 176.870 -0.217 0.000 1.148 209 L CA 0.766 55.516 54.840 -0.150 0.000 0.825 209 L CB -0.498 41.426 42.059 -0.226 0.000 0.937 209 L HN 0.461 nan 8.230 nan 0.000 0.450 210 H N -0.195 118.749 119.070 -0.210 0.000 2.273 210 H HA 0.132 4.688 4.556 -0.000 0.000 0.317 210 H C 0.598 175.870 175.328 -0.093 0.000 1.062 210 H CA 0.785 56.738 56.048 -0.159 0.000 1.419 210 H CB 0.218 29.898 29.762 -0.137 0.000 1.442 210 H HN 0.328 nan 8.280 nan 0.000 0.542 211 N N -1.665 117.090 118.700 0.093 0.000 3.046 211 N HA 0.235 4.975 4.740 -0.000 0.000 0.243 211 N C 0.210 175.755 175.510 0.057 0.000 1.452 211 N CA 0.009 53.082 53.050 0.038 0.000 0.882 211 N CB 0.839 39.342 38.487 0.026 0.000 1.425 211 N HN 0.240 nan 8.380 nan 0.000 0.517 212 A N -0.032 122.803 122.820 0.024 0.000 1.969 212 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 212 A C 1.643 179.302 177.584 0.124 0.000 1.169 212 A CA 1.631 53.685 52.037 0.030 0.000 0.635 212 A CB -0.729 18.259 19.000 -0.021 0.000 0.810 212 A HN 0.761 nan 8.150 nan 0.000 0.445 213 E N -0.066 120.193 120.200 0.098 0.000 2.085 213 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 213 E C 1.923 178.625 176.600 0.170 0.000 0.994 213 E CA 1.592 58.063 56.400 0.119 0.000 0.801 213 E CB -0.287 29.453 29.700 0.068 0.000 0.743 213 E HN 0.486 nan 8.360 nan 0.000 0.453 214 L N 1.320 122.627 121.223 0.140 0.000 2.072 214 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 214 L C 2.672 179.683 176.870 0.235 0.000 1.079 214 L CA 1.997 56.926 54.840 0.148 0.000 0.752 214 L CB -0.887 41.206 42.059 0.057 0.000 0.906 214 L HN 0.273 nan 8.230 nan 0.000 0.436 215 H N -0.356 118.778 119.070 0.106 0.000 2.319 215 H HA -0.198 4.358 4.556 -0.000 0.000 0.297 215 H C 1.466 176.873 175.328 0.131 0.000 1.097 215 H CA 2.271 58.379 56.048 0.100 0.000 1.285 215 H CB -0.117 29.675 29.762 0.049 0.000 1.368 215 H HN 0.403 nan 8.280 nan 0.000 0.495 216 D N -0.309 120.296 120.400 0.341 0.000 2.144 216 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 216 D C 2.085 178.502 176.300 0.195 0.000 0.978 216 D CA 0.845 54.990 54.000 0.242 0.000 0.833 216 D CB -0.842 40.106 40.800 0.248 0.000 0.961 216 D HN 0.507 nan 8.370 nan 0.000 0.470 217 W N 1.401 122.753 121.300 0.087 0.000 2.381 217 W HA -0.036 4.624 4.660 -0.000 0.000 0.301 217 W C 2.015 178.633 176.519 0.166 0.000 1.205 217 W CA 0.989 58.407 57.345 0.122 0.000 1.285 217 W CB -0.220 29.232 29.460 -0.012 0.000 1.133 217 W HN -0.154 nan 8.180 nan 0.000 0.521 218 I N 0.765 121.531 120.570 0.327 0.000 2.226 218 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 218 I C 2.480 178.604 176.117 0.012 0.000 1.100 218 I CA 1.772 63.168 61.300 0.160 0.000 1.374 218 I CB -0.749 37.399 38.000 0.247 0.000 1.057 218 I HN -0.036 nan 8.210 nan 0.000 0.413 219 K N 1.418 121.788 120.400 -0.049 0.000 2.103 219 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 219 K C 1.959 178.507 176.600 -0.087 0.000 1.048 219 K CA 1.611 57.854 56.287 -0.075 0.000 0.930 219 K CB -0.040 32.349 32.500 -0.186 0.000 0.716 219 K HN 0.320 nan 8.250 nan 0.000 0.444 220 A N -0.620 122.104 122.820 -0.159 0.000 2.178 220 A HA 0.025 4.345 4.320 -0.000 0.000 0.211 220 A C 0.819 178.019 177.584 -0.640 0.000 1.157 220 A CA 0.637 52.477 52.037 -0.329 0.000 0.780 220 A CB -0.214 18.590 19.000 -0.327 0.000 0.828 220 A HN 0.409 nan 8.150 nan 0.000 0.476 221 H N -2.195 116.541 119.070 -0.558 0.000 3.046 221 H HA 0.382 4.938 4.556 -0.000 0.000 0.262 221 H C -0.395 174.660 175.328 -0.456 0.000 1.044 221 H CA 0.073 55.734 56.048 -0.645 0.000 1.209 221 H CB 0.794 29.779 29.762 -1.294 0.000 1.507 221 H HN 0.169 nan 8.280 nan 0.000 0.507 222 V N 1.673 121.426 119.914 -0.268 0.000 2.513 222 V HA 0.410 4.530 4.120 -0.000 0.000 0.299 222 V C 0.038 175.900 176.094 -0.387 0.000 1.035 222 V CA -0.876 61.224 62.300 -0.333 0.000 0.889 222 V CB 1.859 33.461 31.823 -0.368 0.000 0.988 222 V HN 0.377 nan 8.190 nan 0.000 0.440 223 S N 2.985 118.415 115.700 -0.450 0.000 2.638 223 S HA 0.823 5.293 4.470 -0.000 0.000 0.298 223 S C -1.022 173.225 174.600 -0.590 0.000 1.111 223 S CA -0.538 57.473 58.200 -0.315 0.000 1.027 223 S CB 1.415 64.501 63.200 -0.190 0.000 1.064 223 S HN 0.398 nan 8.310 nan 0.000 0.525 224 F N 1.516 121.435 119.950 -0.052 0.000 2.769 224 F HA 0.389 4.916 4.527 -0.000 0.000 0.358 224 F C -2.470 173.308 175.800 -0.037 0.000 1.285 224 F CA -1.878 56.114 58.000 -0.015 0.000 1.199 224 F CB 1.343 40.366 39.000 0.037 0.000 1.558 224 F HN 0.371 nan 8.300 nan 0.000 0.583 225 P HA 0.014 nan 4.420 nan 0.000 0.268 225 P C -0.426 176.938 177.300 0.107 0.000 1.205 225 P CA 0.036 63.137 63.100 0.002 0.000 0.771 225 P CB 0.996 32.592 31.700 -0.174 0.000 0.858 226 N N 0.776 119.548 118.700 0.119 0.000 2.515 226 N HA 0.506 5.246 4.740 -0.000 0.000 0.279 226 N C -0.023 175.564 175.510 0.130 0.000 1.164 226 N CA -0.025 53.102 53.050 0.128 0.000 0.982 226 N CB 1.461 40.027 38.487 0.130 0.000 1.170 226 N HN 0.538 nan 8.380 nan 0.000 0.474 230 D N 2.349 122.872 120.400 0.204 0.000 2.891 230 D HA 0.693 5.333 4.640 -0.000 0.000 0.224 230 D C -0.871 175.657 176.300 0.379 0.000 1.321 230 D CA -0.150 54.000 54.000 0.251 0.000 0.929 230 D CB 2.275 43.291 40.800 0.360 0.000 1.551 230 D HN 1.033 nan 8.370 nan 0.000 0.574 231 R N 4.371 125.100 120.500 0.381 0.000 2.937 231 R HA 0.298 4.638 4.340 -0.000 0.000 0.273 231 R C -1.091 175.369 176.300 0.267 0.000 1.176 231 R CA -0.525 55.778 56.100 0.339 0.000 1.132 231 R CB 0.579 31.052 30.300 0.287 0.000 1.270 231 R HN 0.414 nan 8.270 nan 0.000 0.425 232 I N 3.640 124.327 120.570 0.196 0.000 2.533 232 I HA 0.137 4.307 4.170 -0.000 0.000 0.284 232 I C -0.125 176.063 176.117 0.119 0.000 1.109 232 I CA 0.661 62.051 61.300 0.151 0.000 1.412 232 I CB 1.431 39.526 38.000 0.159 0.000 1.396 232 I HN 0.513 nan 8.210 nan 0.000 0.543 233 T N 6.850 121.474 114.554 0.116 0.000 3.008 233 T HA 0.343 4.693 4.350 -0.000 0.000 0.328 233 T C -2.277 172.474 174.700 0.085 0.000 1.020 233 T CA -1.097 61.061 62.100 0.097 0.000 1.043 233 T CB 1.415 70.376 68.868 0.155 0.000 1.010 233 T HN 0.269 nan 8.240 nan 0.000 0.466 237 S N 2.173 117.988 115.700 0.193 0.000 2.541 237 S HA 0.545 5.015 4.470 -0.000 0.000 0.271 237 S C 1.025 175.698 174.600 0.121 0.000 1.133 237 S CA -0.140 58.122 58.200 0.102 0.000 0.876 237 S CB 1.477 64.651 63.200 -0.043 0.000 1.105 237 S HN 0.692 nan 8.310 nan 0.000 0.470 238 T N 2.063 116.670 114.554 0.088 0.000 2.720 238 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 238 T C 2.194 176.950 174.700 0.094 0.000 1.037 238 T CA 1.962 64.117 62.100 0.090 0.000 1.144 238 T CB -0.834 68.072 68.868 0.063 0.000 0.864 238 T HN 0.927 nan 8.240 nan 0.000 0.444 239 A N 0.999 123.848 122.820 0.047 0.000 1.908 239 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 239 A C 1.940 179.621 177.584 0.162 0.000 1.181 239 A CA 1.805 53.871 52.037 0.048 0.000 0.627 239 A CB -0.929 18.044 19.000 -0.045 0.000 0.818 239 A HN 0.712 nan 8.150 nan 0.000 0.445 240 H N -1.661 117.485 119.070 0.127 0.000 2.395 240 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 240 H C 2.395 177.863 175.328 0.234 0.000 1.070 240 H CA 1.070 57.225 56.048 0.179 0.000 1.356 240 H CB 0.072 29.924 29.762 0.149 0.000 1.401 240 H HN 0.500 nan 8.280 nan 0.000 0.524 241 R N 1.122 121.803 120.500 0.302 0.000 2.075 241 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 241 R C 1.929 178.344 176.300 0.191 0.000 1.126 241 R CA 0.941 57.175 56.100 0.225 0.000 0.963 241 R CB -0.097 30.313 30.300 0.183 0.000 0.858 241 R HN 0.283 nan 8.270 nan 0.000 0.435 242 L N 0.472 121.800 121.223 0.174 0.000 2.093 242 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 242 L C 2.815 179.793 176.870 0.181 0.000 1.085 242 L CA 1.314 56.247 54.840 0.155 0.000 0.755 242 L CB -0.501 41.625 42.059 0.111 0.000 0.904 242 L HN 0.397 nan 8.230 nan 0.000 0.435 243 Q N 0.360 120.288 119.800 0.214 0.000 2.079 243 Q HA -0.248 4.092 4.340 -0.000 0.000 0.200 243 Q C 2.296 178.413 176.000 0.194 0.000 0.974 243 Q CA 1.491 57.429 55.803 0.225 0.000 0.840 243 Q CB -0.050 28.878 28.738 0.318 0.000 0.898 243 Q HN 0.376 nan 8.270 nan 0.000 0.430 244 L N 0.564 121.889 121.223 0.172 0.000 2.042 244 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 244 L C 2.426 179.254 176.870 -0.070 0.000 1.076 244 L CA 2.198 56.927 54.840 -0.185 0.000 0.749 244 L CB -0.845 41.045 42.059 -0.282 0.000 0.893 244 L HN 0.410 nan 8.230 nan 0.000 0.432 245 H N -0.783 118.271 119.070 -0.027 0.000 2.326 245 H HA -0.140 4.416 4.556 -0.000 0.000 0.301 245 H C 1.616 176.923 175.328 -0.035 0.000 1.081 245 H CA 1.869 57.904 56.048 -0.022 0.000 1.334 245 H CB 0.079 29.843 29.762 0.003 0.000 1.385 245 H HN 0.391 nan 8.280 nan 0.000 0.504 246 D N 0.546 120.924 120.400 -0.037 0.000 2.123 246 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 246 D C 2.058 178.243 176.300 -0.192 0.000 0.992 246 D CA 1.255 55.207 54.000 -0.081 0.000 0.833 246 D CB -0.147 40.668 40.800 0.025 0.000 0.954 246 D HN 0.637 nan 8.370 nan 0.000 0.455 247 E N -0.963 119.097 120.200 -0.233 0.000 2.216 247 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 247 E C 1.010 177.134 176.600 -0.793 0.000 0.973 247 E CA 0.536 56.655 56.400 -0.467 0.000 0.851 247 E CB 0.301 29.724 29.700 -0.461 0.000 0.804 247 E HN 0.431 nan 8.360 nan 0.000 0.477 248 H N -1.393 117.569 119.070 -0.179 0.000 3.078 248 H HA 0.234 4.790 4.556 0.000 0.000 0.263 248 H C 1.075 176.282 175.328 -0.202 0.000 1.177 248 H CA 0.569 56.508 56.048 -0.182 0.000 1.128 248 H CB 1.544 31.180 29.762 -0.210 0.000 1.623 248 H HN 0.289 nan 8.280 nan 0.000 0.592 249 G N 1.937 110.585 108.800 -0.253 0.000 2.189 249 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.267 249 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.267 249 G C 0.302 175.125 174.900 -0.128 0.000 0.975 249 G CA 0.463 45.372 45.100 -0.317 0.000 0.644 249 G HN 0.354 nan 8.290 nan 0.000 0.537 250 I N 1.081 121.619 120.570 -0.053 0.000 2.396 250 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 250 I C -0.490 175.713 176.117 0.142 0.000 0.999 250 I CA -0.572 60.747 61.300 0.033 0.000 1.310 250 I CB 1.127 39.113 38.000 -0.024 0.000 1.404 250 I HN -0.097 nan 8.210 nan 0.000 0.496 251 D N 5.540 126.030 120.400 0.150 0.000 2.443 251 D HA 0.188 4.828 4.640 -0.000 0.000 0.221 251 D C -0.903 175.445 176.300 0.081 0.000 1.097 251 D CA -0.049 54.025 54.000 0.123 0.000 0.865 251 D CB 1.344 42.189 40.800 0.076 0.000 1.034 251 D HN 0.401 nan 8.370 nan 0.000 0.511 252 D N 1.085 121.538 120.400 0.089 0.000 2.502 252 D HA 0.327 4.967 4.640 -0.000 0.000 0.249 252 D C 0.598 176.979 176.300 0.135 0.000 1.092 252 D CA -0.749 53.313 54.000 0.103 0.000 0.839 252 D CB 2.010 42.867 40.800 0.096 0.000 1.264 252 D HN 0.249 nan 8.370 nan 0.000 0.511 253 A N 3.459 126.367 122.820 0.145 0.000 2.067 253 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 253 A C 0.608 178.365 177.584 0.288 0.000 1.158 253 A CA 0.529 52.662 52.037 0.160 0.000 0.661 253 A CB -0.167 18.899 19.000 0.111 0.000 0.801 253 A HN 0.562 nan 8.150 nan 0.000 0.452 254 W N 0.811 122.147 121.300 0.061 0.000 1.409 254 W HA 0.352 5.012 4.660 -0.000 0.000 0.317 254 W C -3.069 173.512 176.519 0.103 0.000 0.947 254 W CA -2.734 54.650 57.345 0.064 0.000 1.333 254 W CB 0.826 30.301 29.460 0.025 0.000 1.459 254 W HN -0.010 nan 8.180 nan 0.000 0.409 255 P HA 0.292 nan 4.420 nan 0.000 0.274 255 P C -0.911 176.320 177.300 -0.115 0.000 1.256 255 P CA -0.105 63.025 63.100 0.049 0.000 0.795 255 P CB 2.472 34.242 31.700 0.116 0.000 1.038 256 V N 1.392 121.272 119.914 -0.056 0.000 2.448 256 V HA 0.292 4.412 4.120 -0.000 0.000 0.295 256 V C -0.495 175.595 176.094 -0.005 0.000 1.025 256 V CA -0.827 61.395 62.300 -0.129 0.000 0.859 256 V CB 1.671 33.354 31.823 -0.233 0.000 0.988 256 V HN 0.212 nan 8.190 nan 0.000 0.431 257 V N 6.984 126.887 119.914 -0.018 0.000 2.539 257 V HA 0.698 4.818 4.120 -0.000 0.000 0.292 257 V C 0.218 176.255 176.094 -0.095 0.000 1.045 257 V CA 0.103 62.343 62.300 -0.100 0.000 0.945 257 V CB 1.357 33.039 31.823 -0.235 0.000 0.993 257 V HN 1.246 nan 8.190 nan 0.000 0.464 258 C N 2.430 121.651 119.300 -0.133 0.000 3.321 258 C HA 0.762 5.222 4.460 -0.000 0.000 0.329 258 C C -0.409 174.515 174.990 -0.110 0.000 1.394 258 C CA -1.088 57.875 59.018 -0.091 0.000 1.291 258 C CB 1.269 28.946 27.740 -0.105 0.000 1.606 258 C HN 0.972 nan 8.230 nan 0.000 0.463 259 E N 1.199 121.368 120.200 -0.051 0.000 2.345 259 E HA 0.457 4.807 4.350 -0.000 0.000 0.259 259 E C -2.179 174.388 176.600 -0.055 0.000 1.117 259 E CA -1.108 55.273 56.400 -0.032 0.000 0.913 259 E CB 0.688 30.418 29.700 0.051 0.000 1.057 259 E HN 0.402 nan 8.360 nan 0.000 0.432 260 P HA -0.070 nan 4.420 nan 0.000 0.217 260 P C -0.058 177.225 177.300 -0.029 0.000 1.150 260 P CA 0.707 63.776 63.100 -0.051 0.000 0.832 260 P CB -0.000 31.694 31.700 -0.010 0.000 0.787 261 F N 0.578 120.488 119.950 -0.066 0.000 2.518 261 F HA 0.302 4.829 4.527 -0.000 0.000 0.359 261 F C 0.028 175.811 175.800 -0.028 0.000 1.118 261 F CA 0.165 58.146 58.000 -0.031 0.000 1.287 261 F CB 0.397 39.392 39.000 -0.010 0.000 1.132 261 F HN -0.286 nan 8.300 nan 0.000 0.587 262 V N 6.041 125.359 119.914 -0.992 0.000 2.969 262 V HA 0.466 4.586 4.120 -0.000 0.000 0.304 262 V C -1.592 174.127 176.094 -0.626 0.000 1.192 262 V CA -0.324 61.633 62.300 -0.572 0.000 0.962 262 V CB 2.029 33.591 31.823 -0.436 0.000 1.045 262 V HN 0.948 nan 8.190 nan 0.000 0.428 263 Q N 4.434 124.177 119.800 -0.094 0.000 2.377 263 Q HA 0.550 4.890 4.340 -0.000 0.000 0.279 263 Q C -2.516 173.727 176.000 0.406 0.000 1.049 263 Q CA -0.638 55.229 55.803 0.108 0.000 0.825 263 Q CB 2.396 31.229 28.738 0.160 0.000 1.401 263 Q HN 0.785 nan 8.270 nan 0.000 0.404 264 W N 4.194 125.492 121.300 -0.002 0.000 3.036 264 W HA 0.550 5.210 4.660 0.000 0.000 0.337 264 W C -2.352 173.991 176.519 -0.293 0.000 1.055 264 W CA -0.593 56.693 57.345 -0.098 0.000 1.248 264 W CB 1.205 30.395 29.460 -0.450 0.000 1.335 264 W HN 0.413 nan 8.180 nan 0.000 0.446 265 V N 7.556 127.503 119.914 0.055 0.000 2.448 265 V HA 0.612 4.732 4.120 -0.000 0.000 0.295 265 V C -0.876 175.063 176.094 -0.259 0.000 1.025 265 V CA -0.799 61.317 62.300 -0.306 0.000 0.859 265 V CB 1.340 32.890 31.823 -0.455 0.000 0.988 265 V HN 0.384 nan 8.190 nan 0.000 0.431 266 L N 3.754 124.688 121.223 -0.483 0.000 2.393 266 L HA 0.642 4.982 4.340 -0.000 0.000 0.260 266 L C -0.287 176.541 176.870 -0.069 0.000 1.002 266 L CA -0.219 54.441 54.840 -0.300 0.000 0.818 266 L CB 2.478 44.146 42.059 -0.652 0.000 1.369 266 L HN 0.673 nan 8.230 nan 0.000 0.412 267 E N 1.560 121.824 120.200 0.107 0.000 2.283 267 E HA 0.126 4.476 4.350 -0.000 0.000 0.278 267 E C -1.103 175.714 176.600 0.363 0.000 1.027 267 E CA -0.401 56.113 56.400 0.189 0.000 0.843 267 E CB 1.069 30.846 29.700 0.129 0.000 1.062 267 E HN 0.385 nan 8.360 nan 0.000 0.401 268 D N 3.156 123.781 120.400 0.375 0.000 2.558 268 D HA 0.059 4.699 4.640 -0.000 0.000 0.221 268 D C -0.881 175.589 176.300 0.283 0.000 1.143 268 D CA -0.056 54.176 54.000 0.386 0.000 1.010 268 D CB -0.183 40.641 40.800 0.040 0.000 1.068 268 D HN 0.180 nan 8.370 nan 0.000 0.511 269 K N 3.076 123.637 120.400 0.268 0.000 2.679 269 K HA 0.219 4.539 4.320 -0.000 0.000 0.188 269 K C -1.041 175.457 176.600 -0.171 0.000 1.055 269 K CA -0.613 55.703 56.287 0.049 0.000 1.006 269 K CB 0.633 33.122 32.500 -0.019 0.000 1.317 269 K HN 0.123 nan 8.250 nan 0.000 0.584 270 F N 0.806 120.766 119.950 0.017 0.000 2.477 270 F HA 0.106 4.633 4.527 -0.000 0.000 0.335 270 F C 1.363 177.164 175.800 0.002 0.000 1.130 270 F CA -1.089 56.924 58.000 0.021 0.000 0.948 270 F CB 1.595 40.602 39.000 0.011 0.000 1.154 270 F HN 0.067 nan 8.300 nan 0.000 0.439 271 V N -0.376 119.603 119.914 0.108 0.000 2.951 271 V HA 0.039 4.159 4.120 -0.000 0.000 0.255 271 V C 0.797 176.952 176.094 0.102 0.000 1.088 271 V CA 1.363 63.698 62.300 0.058 0.000 1.109 271 V CB -0.307 31.500 31.823 -0.027 0.000 0.724 271 V HN 0.789 nan 8.190 nan 0.000 0.471 272 N N 0.835 119.644 118.700 0.182 0.000 2.517 272 N HA 0.404 5.144 4.740 -0.000 0.000 0.285 272 N C 0.445 176.110 175.510 0.258 0.000 1.528 272 N CA 0.792 53.954 53.050 0.188 0.000 0.892 272 N CB 0.722 39.330 38.487 0.201 0.000 1.356 272 N HN 0.828 nan 8.380 nan 0.000 0.495 273 G N 1.486 110.414 108.800 0.213 0.000 2.796 273 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.571 273 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.571 273 G C -0.911 173.969 174.900 -0.033 0.000 1.370 273 G CA -0.226 44.962 45.100 0.147 0.000 0.856 273 G HN 0.692 nan 8.290 nan 0.000 0.538 274 R N -1.473 118.728 120.500 -0.498 0.000 2.728 274 R HA 0.687 5.027 4.340 -0.000 0.000 0.274 274 R C -3.362 171.877 176.300 -1.767 0.000 1.032 274 R CA -1.567 53.674 56.100 -1.431 0.000 0.866 274 R CB 0.667 30.025 30.300 -1.569 0.000 1.263 274 R HN 0.525 nan 8.270 nan 0.000 0.475 275 P HA 0.146 nan 4.420 nan 0.000 0.274 275 P C -0.576 175.960 177.300 -1.274 0.000 1.237 275 P CA -0.461 61.431 63.100 -2.013 0.000 0.793 275 P CB 0.780 31.134 31.700 -2.243 0.000 0.977 276 A N 1.824 124.205 122.820 -0.731 0.000 3.077 276 A HA 0.058 4.378 4.320 -0.000 0.000 0.255 276 A C 0.826 178.266 177.584 -0.240 0.000 1.728 276 A CA -0.456 51.330 52.037 -0.419 0.000 1.383 276 A CB -1.349 17.494 19.000 -0.261 0.000 1.097 276 A HN 0.584 nan 8.150 nan 0.000 0.634 277 W N 1.052 122.205 121.300 -0.245 0.000 2.421 277 W HA -0.162 4.498 4.660 -0.000 0.000 0.270 277 W C 1.902 178.329 176.519 -0.153 0.000 1.233 277 W CA 1.344 58.555 57.345 -0.224 0.000 1.226 277 W CB -0.223 28.993 29.460 -0.407 0.000 1.121 277 W HN 0.883 nan 8.180 nan 0.000 0.579 278 E N 0.714 121.029 120.200 0.193 0.000 2.333 278 E HA -0.197 4.153 4.350 -0.000 0.000 0.198 278 E C 1.318 177.944 176.600 0.042 0.000 1.007 278 E CA 0.981 57.461 56.400 0.132 0.000 0.845 278 E CB -0.474 29.323 29.700 0.161 0.000 0.766 278 E HN 0.092 nan 8.360 nan 0.000 0.507 279 K N 1.121 121.533 120.400 0.020 0.000 2.365 279 K HA 0.010 4.330 4.320 -0.000 0.000 0.199 279 K C 1.762 178.380 176.600 0.030 0.000 1.045 279 K CA 0.980 57.271 56.287 0.007 0.000 0.962 279 K CB 0.232 32.721 32.500 -0.019 0.000 0.759 279 K HN 0.300 nan 8.250 nan 0.000 0.469 280 V N -3.910 116.041 119.914 0.063 0.000 2.915 280 V HA 0.538 4.658 4.120 -0.000 0.000 0.364 280 V C 0.777 176.960 176.094 0.150 0.000 1.354 280 V CA 0.030 62.389 62.300 0.098 0.000 1.213 280 V CB 0.109 32.002 31.823 0.118 0.000 1.268 280 V HN 0.270 nan 8.190 nan 0.000 0.557 281 G N -0.106 108.737 108.800 0.072 0.000 2.176 281 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.232 281 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.232 281 G C 0.075 174.928 174.900 -0.078 0.000 0.986 281 G CA -0.070 45.069 45.100 0.066 0.000 0.643 281 G HN 0.779 nan 8.290 nan 0.000 0.522 282 V N 1.463 121.203 119.914 -0.289 0.000 2.614 282 V HA 0.424 4.544 4.120 -0.000 0.000 0.291 282 V C 0.584 176.388 176.094 -0.483 0.000 1.049 282 V CA 0.218 62.148 62.300 -0.616 0.000 1.038 282 V CB 1.458 32.711 31.823 -0.951 0.000 0.980 282 V HN 0.453 nan 8.190 nan 0.000 0.481 283 Q N 3.890 123.359 119.800 -0.551 0.000 2.307 283 Q HA 0.543 4.883 4.340 -0.000 0.000 0.262 283 Q C -1.311 174.329 176.000 -0.600 0.000 0.961 283 Q CA -0.215 55.346 55.803 -0.404 0.000 0.882 283 Q CB 1.767 30.331 28.738 -0.289 0.000 1.264 283 Q HN 0.612 nan 8.270 nan 0.000 0.446 284 F N 0.725 120.555 119.950 -0.200 0.000 2.422 284 F HA 0.558 5.085 4.527 0.000 0.000 0.333 284 F C 0.672 176.403 175.800 -0.116 0.000 1.095 284 F CA -0.349 57.555 58.000 -0.160 0.000 1.038 284 F CB 2.091 41.017 39.000 -0.124 0.000 1.156 284 F HN 0.352 nan 8.300 nan 0.000 0.483 285 T N 0.346 114.938 114.554 0.063 0.000 2.864 285 T HA 0.242 4.592 4.350 -0.000 0.000 0.299 285 T C 0.094 174.849 174.700 0.091 0.000 1.166 285 T CA -0.689 61.441 62.100 0.050 0.000 1.007 285 T CB 1.330 70.186 68.868 -0.020 0.000 1.219 285 T HN 0.579 nan 8.240 nan 0.000 0.506 286 D N 1.088 121.544 120.400 0.093 0.000 2.323 286 D HA 0.123 4.763 4.640 -0.000 0.000 0.209 286 D C -0.187 176.170 176.300 0.097 0.000 0.973 286 D CA 0.630 54.682 54.000 0.087 0.000 0.874 286 D CB 0.434 41.276 40.800 0.069 0.000 0.930 286 D HN 0.484 nan 8.370 nan 0.000 0.521 287 D N 0.163 120.636 120.400 0.122 0.000 2.478 287 D HA 0.017 4.657 4.640 -0.000 0.000 0.240 287 D C 0.894 177.313 176.300 0.198 0.000 1.364 287 D CA -0.449 53.633 54.000 0.137 0.000 0.987 287 D CB 1.670 42.539 40.800 0.116 0.000 1.328 287 D HN -0.159 nan 8.370 nan 0.000 0.584 288 V N 1.556 121.570 119.914 0.166 0.000 3.306 288 V HA 0.042 4.162 4.120 -0.000 0.000 0.264 288 V C 1.730 177.946 176.094 0.204 0.000 1.149 288 V CA 1.303 63.724 62.300 0.203 0.000 1.143 288 V CB -0.589 31.288 31.823 0.089 0.000 0.767 288 V HN 0.469 nan 8.190 nan 0.000 0.476 289 T N 1.853 116.484 114.554 0.129 0.000 2.653 289 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 289 T C 0.009 174.715 174.700 0.011 0.000 1.035 289 T CA 2.638 64.766 62.100 0.047 0.000 1.154 289 T CB -1.386 67.558 68.868 0.126 0.000 0.862 289 T HN 0.529 nan 8.240 nan 0.000 0.441 290 P HA -0.058 nan 4.420 nan 0.000 0.216 290 P C 0.796 177.969 177.300 -0.213 0.000 1.150 290 P CA 1.104 64.111 63.100 -0.155 0.000 0.837 290 P CB -0.171 31.366 31.700 -0.272 0.000 0.786 291 Y N -0.051 120.206 120.300 -0.072 0.000 2.200 291 Y HA -0.136 4.414 4.550 -0.000 0.000 0.290 291 Y C 2.689 178.541 175.900 -0.080 0.000 1.137 291 Y CA 1.221 59.270 58.100 -0.085 0.000 1.163 291 Y CB -0.829 37.606 38.460 -0.041 0.000 0.988 291 Y HN 0.001 nan 8.280 nan 0.000 0.518 292 E N 1.575 121.836 120.200 0.101 0.000 2.072 292 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 292 E C 0.194 176.773 176.600 -0.035 0.000 0.985 292 E CA 0.737 57.143 56.400 0.011 0.000 0.801 292 E CB -0.063 29.603 29.700 -0.057 0.000 0.750 292 E HN 0.533 nan 8.360 nan 0.000 0.452 296 I N 1.469 122.009 120.570 -0.049 0.000 2.252 296 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 296 I C 2.289 178.355 176.117 -0.085 0.000 1.102 296 I CA 1.809 63.037 61.300 -0.120 0.000 1.385 296 I CB -0.278 37.695 38.000 -0.044 0.000 1.064 296 I HN 0.337 nan 8.210 nan 0.000 0.414 297 G N 0.982 109.771 108.800 -0.018 0.000 2.402 297 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 297 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 297 G C 1.690 176.610 174.900 0.034 0.000 1.162 297 G CA 0.494 45.605 45.100 0.018 0.000 0.777 297 G HN 0.234 nan 8.290 nan 0.000 0.539 298 L N -0.698 120.535 121.223 0.016 0.000 2.145 298 L HA 0.288 4.628 4.340 -0.000 0.000 0.201 298 L C 2.613 179.478 176.870 -0.008 0.000 1.075 298 L CA 0.207 55.064 54.840 0.027 0.000 0.773 298 L CB -0.331 41.767 42.059 0.064 0.000 0.936 298 L HN 0.172 nan 8.230 nan 0.000 0.451 299 L N -0.078 121.117 121.223 -0.046 0.000 2.022 299 L HA -0.128 4.212 4.340 -0.000 0.000 0.204 299 L C 2.109 178.901 176.870 -0.130 0.000 1.076 299 L CA 1.571 56.343 54.840 -0.112 0.000 0.749 299 L CB -0.191 41.794 42.059 -0.123 0.000 0.903 299 L HN 0.262 nan 8.230 nan 0.000 0.439 300 N N -0.244 118.275 118.700 -0.301 0.000 2.166 300 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 300 N C 1.704 177.028 175.510 -0.310 0.000 1.019 300 N CA 1.201 53.884 53.050 -0.612 0.000 0.856 300 N CB -0.371 37.194 38.487 -1.537 0.000 0.993 300 N HN 0.482 nan 8.380 nan 0.000 0.426 301 G N -0.092 108.648 108.800 -0.100 0.000 2.418 301 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 301 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 301 G C 1.622 176.575 174.900 0.090 0.000 1.158 301 G CA 0.831 46.006 45.100 0.125 0.000 0.771 301 G HN 0.226 nan 8.290 nan 0.000 0.545 302 S N -0.536 115.243 115.700 0.133 0.000 2.383 302 S HA -0.048 4.422 4.470 -0.000 0.000 0.227 302 S C 1.880 176.586 174.600 0.176 0.000 1.026 302 S CA 0.806 59.089 58.200 0.137 0.000 0.981 302 S CB -0.416 62.913 63.200 0.215 0.000 0.818 302 S HN 0.622 nan 8.310 nan 0.000 0.472 303 H N 0.878 119.991 119.070 0.072 0.000 2.319 303 H HA -0.050 4.506 4.556 -0.000 0.000 0.297 303 H C 1.982 177.214 175.328 -0.160 0.000 1.097 303 H CA 1.409 57.370 56.048 -0.145 0.000 1.285 303 H CB -0.102 29.526 29.762 -0.225 0.000 1.368 303 H HN 0.237 nan 8.280 nan 0.000 0.495 304 L N -0.140 121.083 121.223 -0.000 0.000 2.083 304 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 304 L C 2.877 179.732 176.870 -0.026 0.000 1.083 304 L CA 0.733 55.503 54.840 -0.116 0.000 0.752 304 L CB -0.514 41.442 42.059 -0.171 0.000 0.899 304 L HN 0.347 nan 8.230 nan 0.000 0.433 305 A N 0.147 122.943 122.820 -0.040 0.000 1.972 305 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 305 A C 2.205 179.916 177.584 0.212 0.000 1.169 305 A CA 1.368 53.416 52.037 0.018 0.000 0.635 305 A CB -0.429 18.340 19.000 -0.384 0.000 0.810 305 A HN 0.395 nan 8.150 nan 0.000 0.446 306 L N -2.166 119.158 121.223 0.169 0.000 2.249 306 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 306 L C 2.693 179.696 176.870 0.222 0.000 1.090 306 L CA 1.308 56.335 54.840 0.313 0.000 0.802 306 L CB -0.589 41.638 42.059 0.280 0.000 0.947 306 L HN 0.357 nan 8.230 nan 0.000 0.453 307 T N -0.892 113.628 114.554 -0.057 0.000 2.777 307 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 307 T C 1.775 176.320 174.700 -0.258 0.000 1.040 307 T CA 1.529 63.471 62.100 -0.263 0.000 1.141 307 T CB -0.134 68.391 68.868 -0.571 0.000 0.868 307 T HN 0.253 nan 8.240 nan 0.000 0.444 308 Y N 0.689 121.027 120.300 0.065 0.000 2.206 308 Y HA 0.163 4.713 4.550 0.000 0.000 0.292 308 Y C 2.318 178.355 175.900 0.229 0.000 1.123 308 Y CA 0.522 58.658 58.100 0.060 0.000 1.142 308 Y CB -0.254 38.273 38.460 0.111 0.000 1.006 308 Y HN 0.103 nan 8.280 nan 0.000 0.518 309 L N -0.408 121.032 121.223 0.361 0.000 2.042 309 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 309 L C 2.677 179.809 176.870 0.438 0.000 1.076 309 L CA 1.439 56.466 54.840 0.312 0.000 0.749 309 L CB -1.109 41.031 42.059 0.135 0.000 0.893 309 L HN 0.369 nan 8.230 nan 0.000 0.432 310 G N -0.667 108.442 108.800 0.514 0.000 2.421 310 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 310 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 310 G C 1.482 176.438 174.900 0.094 0.000 1.171 310 G CA 0.495 45.771 45.100 0.294 0.000 0.775 310 G HN 0.220 nan 8.290 nan 0.000 0.543 311 F N 0.926 120.887 119.950 0.018 0.000 2.134 311 F HA 0.066 4.593 4.527 0.000 0.000 0.299 311 F C 2.574 178.372 175.800 -0.002 0.000 1.097 311 F CA 1.024 59.004 58.000 -0.033 0.000 1.264 311 F CB -0.104 38.905 39.000 0.014 0.000 1.001 311 F HN 0.017 nan 8.300 nan 0.000 0.479 312 L N -0.216 121.170 121.223 0.271 0.000 2.083 312 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 312 L C 2.297 179.163 176.870 -0.007 0.000 1.083 312 L CA 1.441 56.394 54.840 0.189 0.000 0.752 312 L CB -0.584 41.609 42.059 0.224 0.000 0.899 312 L HN -0.003 nan 8.230 nan 0.000 0.433 313 K N 0.271 120.611 120.400 -0.101 0.000 2.362 313 K HA -0.047 4.273 4.320 -0.000 0.000 0.200 313 K C 1.205 177.535 176.600 -0.450 0.000 1.046 313 K CA 1.071 57.171 56.287 -0.312 0.000 0.952 313 K CB -0.106 32.091 32.500 -0.505 0.000 0.753 313 K HN 0.314 nan 8.250 nan 0.000 0.466 314 G N -1.530 107.033 108.800 -0.395 0.000 2.179 314 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 314 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 314 G C -0.049 174.666 174.900 -0.307 0.000 0.990 314 G CA 0.096 44.980 45.100 -0.359 0.000 0.646 314 G HN 0.320 nan 8.290 nan 0.000 0.517 315 Y N -0.077 120.053 120.300 -0.283 0.000 2.379 315 Y HA 0.516 5.066 4.550 -0.000 0.000 0.337 315 Y C 1.751 177.410 175.900 -0.402 0.000 1.238 315 Y CA -0.693 57.230 58.100 -0.295 0.000 1.405 315 Y CB 0.588 38.860 38.460 -0.312 0.000 1.310 315 Y HN -0.056 nan 8.280 nan 0.000 0.569 316 R N 1.226 121.574 120.500 -0.252 0.000 2.541 316 R HA 0.207 4.547 4.340 -0.000 0.000 0.332 316 R C -1.454 174.276 176.300 -0.950 0.000 0.951 316 R CA -0.094 55.654 56.100 -0.587 0.000 1.136 316 R CB 0.413 30.303 30.300 -0.682 0.000 1.449 316 R HN 0.488 nan 8.270 nan 0.000 0.531 317 F N -1.340 118.477 119.950 -0.222 0.000 2.588 317 F HA 0.287 4.814 4.527 0.000 0.000 0.314 317 F C 1.693 177.290 175.800 -0.338 0.000 1.069 317 F CA -0.957 56.865 58.000 -0.297 0.000 0.931 317 F CB 1.516 40.215 39.000 -0.501 0.000 1.260 317 F HN -0.439 nan 8.300 nan 0.000 0.465 318 V N 1.361 121.240 119.914 -0.059 0.000 2.332 318 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 318 V C 2.521 178.573 176.094 -0.069 0.000 1.055 318 V CA 2.467 64.704 62.300 -0.104 0.000 1.038 318 V CB -0.991 30.756 31.823 -0.126 0.000 0.651 318 V HN 0.903 nan 8.190 nan 0.000 0.450 319 H N 0.177 119.251 119.070 0.007 0.000 2.489 319 H HA -0.117 4.439 4.556 -0.000 0.000 0.293 319 H C 1.873 177.134 175.328 -0.112 0.000 1.066 319 H CA 1.593 57.624 56.048 -0.028 0.000 1.305 319 H CB -0.188 29.556 29.762 -0.030 0.000 1.386 319 H HN 0.548 nan 8.280 nan 0.000 0.551 320 E N 1.399 121.311 120.200 -0.480 0.000 2.106 320 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 320 E C 1.335 177.481 176.600 -0.756 0.000 0.984 320 E CA 1.166 57.229 56.400 -0.562 0.000 0.806 320 E CB 0.080 29.415 29.700 -0.607 0.000 0.750 320 E HN 0.641 nan 8.360 nan 0.000 0.458 324 D N 1.629 121.980 120.400 -0.082 0.000 2.427 324 D HA 0.349 4.989 4.640 -0.000 0.000 0.226 324 D C -1.777 174.630 176.300 0.179 0.000 1.076 324 D CA -1.785 52.248 54.000 0.055 0.000 0.849 324 D CB 2.056 42.894 40.800 0.064 0.000 1.052 324 D HN -0.102 nan 8.370 nan 0.000 0.515 325 P HA -0.121 nan 4.420 nan 0.000 0.217 325 P C 1.689 179.098 177.300 0.181 0.000 1.148 325 P CA 0.855 64.037 63.100 0.137 0.000 0.828 325 P CB 0.372 32.129 31.700 0.095 0.000 0.783 326 L N -3.059 118.297 121.223 0.221 0.000 2.093 326 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 326 L C 2.273 179.276 176.870 0.223 0.000 1.085 326 L CA 1.320 56.272 54.840 0.185 0.000 0.755 326 L CB -0.805 41.345 42.059 0.152 0.000 0.904 326 L HN -0.070 nan 8.230 nan 0.000 0.435 327 F N -0.512 119.534 119.950 0.159 0.000 2.146 327 F HA -0.174 4.353 4.527 0.000 0.000 0.298 327 F C 2.402 178.325 175.800 0.206 0.000 1.096 327 F CA 1.181 59.312 58.000 0.219 0.000 1.275 327 F CB -0.819 38.301 39.000 0.199 0.000 1.008 327 F HN -0.237 nan 8.300 nan 0.000 0.480 328 V N -0.106 120.002 119.914 0.325 0.000 2.343 328 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 328 V C 2.572 178.760 176.094 0.156 0.000 1.051 328 V CA 1.774 64.195 62.300 0.201 0.000 1.036 328 V CB -1.474 30.430 31.823 0.136 0.000 0.654 328 V HN 0.354 nan 8.190 nan 0.000 0.451 329 A N -1.010 121.906 122.820 0.160 0.000 1.933 329 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 329 A C 1.487 179.170 177.584 0.166 0.000 1.175 329 A CA 1.092 53.209 52.037 0.133 0.000 0.628 329 A CB -0.532 18.541 19.000 0.121 0.000 0.814 329 A HN 0.571 nan 8.150 nan 0.000 0.444 333 A N 1.143 123.984 122.820 0.036 0.000 1.898 333 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 333 A C 0.967 178.573 177.584 0.036 0.000 1.181 333 A CA 0.980 53.047 52.037 0.051 0.000 0.620 333 A CB -0.459 18.607 19.000 0.110 0.000 0.819 333 A HN 0.288 nan 8.150 nan 0.000 0.442 337 L N 0.961 122.148 121.223 -0.061 0.000 2.298 337 L HA 0.169 4.509 4.340 -0.000 0.000 0.209 337 L C 1.378 178.205 176.870 -0.071 0.000 1.084 337 L CA 0.930 55.744 54.840 -0.043 0.000 0.816 337 L CB 0.126 42.184 42.059 -0.001 0.000 0.967 337 L HN -0.107 nan 8.230 nan 0.000 0.460 338 D N -0.575 119.733 120.400 -0.153 0.000 2.369 338 D HA -0.010 4.630 4.640 -0.000 0.000 0.231 338 D C 2.273 178.432 176.300 -0.235 0.000 0.967 338 D CA 0.878 54.764 54.000 -0.191 0.000 0.905 338 D CB 0.196 40.837 40.800 -0.265 0.000 1.044 338 D HN 0.015 nan 8.370 nan 0.000 0.487 339 V N 1.150 120.851 119.914 -0.354 0.000 2.331 339 V HA -0.124 3.996 4.120 -0.000 0.000 0.242 339 V C 2.465 178.472 176.094 -0.145 0.000 1.034 339 V CA 1.605 63.752 62.300 -0.256 0.000 1.027 339 V CB -0.800 30.842 31.823 -0.301 0.000 0.667 339 V HN 0.147 nan 8.190 nan 0.000 0.457 340 T N 0.985 115.461 114.554 -0.131 0.000 2.685 340 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 340 T C -0.124 174.534 174.700 -0.070 0.000 1.034 340 T CA 2.281 64.329 62.100 -0.087 0.000 1.149 340 T CB -1.279 67.546 68.868 -0.071 0.000 0.860 340 T HN 0.431 nan 8.240 nan 0.000 0.449 341 P HA 0.026 nan 4.420 nan 0.000 0.225 341 P C 0.912 178.187 177.300 -0.041 0.000 1.148 341 P CA 0.752 63.825 63.100 -0.045 0.000 0.779 341 P CB -0.076 31.603 31.700 -0.035 0.000 0.780 342 N N -1.009 117.662 118.700 -0.049 0.000 2.353 342 N HA 0.049 4.789 4.740 -0.000 0.000 0.185 342 N C 0.411 175.897 175.510 -0.041 0.000 1.098 342 N CA 0.335 53.364 53.050 -0.037 0.000 0.872 342 N CB -0.097 38.370 38.487 -0.033 0.000 0.970 342 N HN 0.239 nan 8.380 nan 0.000 0.467 343 L N 0.950 122.139 121.223 -0.056 0.000 2.326 343 L HA 0.455 4.795 4.340 -0.000 0.000 0.278 343 L C 0.620 177.448 176.870 -0.070 0.000 1.092 343 L CA -0.796 54.003 54.840 -0.069 0.000 0.810 343 L CB 0.959 42.963 42.059 -0.091 0.000 1.153 343 L HN -0.054 nan 8.230 nan 0.000 0.439 344 A N 4.676 127.451 122.820 -0.074 0.000 2.332 344 A HA 0.593 4.913 4.320 -0.000 0.000 0.258 344 A C -2.252 175.267 177.584 -0.108 0.000 1.087 344 A CA -1.259 50.734 52.037 -0.073 0.000 0.802 344 A CB -0.288 18.676 19.000 -0.060 0.000 1.042 344 A HN 0.496 nan 8.150 nan 0.000 0.489 345 P HA 0.250 nan 4.420 nan 0.000 0.266 345 P C -0.994 176.195 177.300 -0.185 0.000 1.195 345 P CA 0.066 63.094 63.100 -0.119 0.000 0.768 345 P CB 0.550 32.201 31.700 -0.082 0.000 0.838 346 V N 5.807 125.576 119.914 -0.241 0.000 2.357 346 V HA 0.271 4.391 4.120 -0.000 0.000 0.284 346 V C -2.112 173.806 176.094 -0.293 0.000 1.018 346 V CA -2.021 60.032 62.300 -0.412 0.000 0.841 346 V CB 1.214 32.715 31.823 -0.536 0.000 0.991 346 V HN 0.518 nan 8.190 nan 0.000 0.437 347 P HA 0.174 nan 4.420 nan 0.000 0.261 347 P C 1.036 178.345 177.300 0.015 0.000 1.183 347 P CA 1.379 64.449 63.100 -0.051 0.000 0.761 347 P CB 0.441 32.170 31.700 0.048 0.000 0.785 348 G N 2.674 111.485 108.800 0.018 0.000 2.184 348 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.264 348 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.264 348 G C 0.062 174.988 174.900 0.043 0.000 0.975 348 G CA -0.225 44.905 45.100 0.050 0.000 0.642 348 G HN 0.518 nan 8.290 nan 0.000 0.536 349 I N 0.604 121.169 120.570 -0.010 0.000 2.466 349 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 349 I C -0.812 175.280 176.117 -0.041 0.000 1.026 349 I CA -0.860 60.429 61.300 -0.020 0.000 1.078 349 I CB 1.986 39.933 38.000 -0.088 0.000 1.249 349 I HN 0.098 nan 8.210 nan 0.000 0.429 350 D N 5.495 125.895 120.400 -0.000 0.000 2.295 350 D HA 0.293 4.933 4.640 -0.000 0.000 0.248 350 D C 0.956 177.262 176.300 0.009 0.000 1.154 350 D CA -0.286 53.712 54.000 -0.005 0.000 0.857 350 D CB 1.216 42.022 40.800 0.010 0.000 1.117 350 D HN 0.434 nan 8.370 nan 0.000 0.468 351 L N 2.625 123.836 121.223 -0.020 0.000 2.131 351 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 351 L C 2.179 179.071 176.870 0.037 0.000 1.092 351 L CA 0.927 55.768 54.840 0.002 0.000 0.759 351 L CB -0.476 41.558 42.059 -0.043 0.000 0.903 351 L HN 0.536 nan 8.230 nan 0.000 0.435 352 T N -0.870 113.689 114.554 0.008 0.000 2.708 352 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 352 T C 1.455 176.154 174.700 -0.002 0.000 1.037 352 T CA 1.503 63.602 62.100 -0.002 0.000 1.146 352 T CB -0.201 68.662 68.868 -0.010 0.000 0.865 352 T HN 0.314 nan 8.240 nan 0.000 0.435 353 D N -0.029 120.379 120.400 0.013 0.000 2.117 353 D HA -0.067 4.573 4.640 -0.000 0.000 0.197 353 D C 1.715 178.013 176.300 -0.004 0.000 0.987 353 D CA 0.910 54.911 54.000 0.002 0.000 0.829 353 D CB -0.431 40.380 40.800 0.020 0.000 0.961 353 D HN 0.414 nan 8.370 nan 0.000 0.460 354 Y N 1.870 122.114 120.300 -0.093 0.000 2.145 354 Y HA -0.194 4.356 4.550 0.000 0.000 0.286 354 Y C 2.102 177.900 175.900 -0.169 0.000 1.145 354 Y CA 1.639 59.663 58.100 -0.128 0.000 1.148 354 Y CB 0.049 38.447 38.460 -0.103 0.000 0.981 354 Y HN -0.157 nan 8.280 nan 0.000 0.507 355 K N -0.509 119.860 120.400 -0.051 0.000 2.103 355 K HA -0.274 4.046 4.320 -0.000 0.000 0.207 355 K C 2.141 178.594 176.600 -0.245 0.000 1.048 355 K CA 1.638 57.827 56.287 -0.163 0.000 0.930 355 K CB -0.221 32.237 32.500 -0.071 0.000 0.716 355 K HN 0.274 nan 8.250 nan 0.000 0.444 356 Q N 0.764 120.458 119.800 -0.178 0.000 2.119 356 Q HA -0.130 4.210 4.340 -0.000 0.000 0.201 356 Q C 1.901 177.753 176.000 -0.247 0.000 0.972 356 Q CA 2.324 58.024 55.803 -0.172 0.000 0.847 356 Q CB -0.471 28.202 28.738 -0.108 0.000 0.903 356 Q HN 0.422 nan 8.270 nan 0.000 0.433 357 T N -1.911 112.453 114.554 -0.315 0.000 2.915 357 T HA -0.072 4.278 4.350 -0.000 0.000 0.269 357 T C 1.781 176.166 174.700 -0.525 0.000 1.071 357 T CA 1.106 62.972 62.100 -0.390 0.000 1.132 357 T CB -0.309 68.291 68.868 -0.447 0.000 0.878 357 T HN 0.297 nan 8.240 nan 0.000 0.479 358 L N 0.498 121.326 121.223 -0.659 0.000 2.093 358 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 358 L C 2.945 179.353 176.870 -0.771 0.000 1.085 358 L CA 0.711 55.040 54.840 -0.852 0.000 0.755 358 L CB -0.632 40.868 42.059 -0.932 0.000 0.904 358 L HN 0.176 nan 8.230 nan 0.000 0.435 359 V N -0.020 119.607 119.914 -0.479 0.000 2.343 359 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 359 V C 2.152 178.150 176.094 -0.161 0.000 1.051 359 V CA 1.885 64.024 62.300 -0.270 0.000 1.036 359 V CB -0.504 31.225 31.823 -0.157 0.000 0.654 359 V HN 0.435 nan 8.190 nan 0.000 0.451 360 D N -0.029 120.262 120.400 -0.182 0.000 2.104 360 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 360 D C 2.402 178.653 176.300 -0.082 0.000 0.994 360 D CA 1.341 55.271 54.000 -0.117 0.000 0.830 360 D CB -0.279 40.441 40.800 -0.134 0.000 0.959 360 D HN 0.393 nan 8.370 nan 0.000 0.452 361 R N -0.320 120.094 120.500 -0.144 0.000 2.092 361 R HA 0.006 4.346 4.340 -0.000 0.000 0.231 361 R C 2.521 178.932 176.300 0.185 0.000 1.119 361 R CA 0.692 56.770 56.100 -0.037 0.000 0.970 361 R CB -0.317 29.900 30.300 -0.139 0.000 0.864 361 R HN 0.278 nan 8.270 nan 0.000 0.440 362 F N 0.058 119.963 119.950 -0.075 0.000 2.325 362 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 362 F C 1.917 177.732 175.800 0.024 0.000 1.090 362 F CA 0.143 58.140 58.000 -0.005 0.000 1.392 362 F CB 0.192 39.187 39.000 -0.009 0.000 1.053 362 F HN 0.002 nan 8.300 nan 0.000 0.521 363 S N -0.392 115.416 115.700 0.180 0.000 2.603 363 S HA -0.091 4.379 4.470 -0.000 0.000 0.220 363 S C 0.597 175.227 174.600 0.050 0.000 0.967 363 S CA -0.124 58.137 58.200 0.102 0.000 0.920 363 S CB -0.663 62.564 63.200 0.045 0.000 0.773 363 S HN 0.202 nan 8.310 nan 0.000 0.529 364 N N 2.896 121.625 118.700 0.047 0.000 2.418 364 N HA -0.042 4.698 4.740 -0.000 0.000 0.277 364 N C 0.964 176.411 175.510 -0.104 0.000 1.317 364 N CA 0.288 53.326 53.050 -0.020 0.000 0.922 364 N CB 0.391 38.883 38.487 0.008 0.000 1.194 364 N HN 0.264 nan 8.380 nan 0.000 0.485 365 Q N 3.105 122.770 119.800 -0.224 0.000 2.187 365 Q HA -0.002 4.338 4.340 -0.000 0.000 0.199 365 Q C 1.501 177.177 176.000 -0.540 0.000 0.957 365 Q CA 1.144 56.613 55.803 -0.557 0.000 0.857 365 Q CB -0.202 28.303 28.738 -0.389 0.000 0.929 365 Q HN 0.763 nan 8.270 nan 0.000 0.453 366 A N 1.002 123.653 122.820 -0.281 0.000 2.014 366 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 366 A C 2.009 179.490 177.584 -0.172 0.000 1.163 366 A CA 0.599 52.507 52.037 -0.214 0.000 0.652 366 A CB -0.502 18.399 19.000 -0.164 0.000 0.808 366 A HN 0.334 nan 8.150 nan 0.000 0.449 367 I N -1.234 119.255 120.570 -0.136 0.000 2.617 367 I HA 0.100 4.270 4.170 -0.000 0.000 0.256 367 I C 1.348 177.528 176.117 0.105 0.000 1.167 367 I CA 0.920 62.184 61.300 -0.061 0.000 1.469 367 I CB -0.087 37.895 38.000 -0.030 0.000 1.098 367 I HN 0.460 nan 8.210 nan 0.000 0.436 368 A N 1.785 124.662 122.820 0.095 0.000 2.519 368 A HA -0.276 4.044 4.320 -0.000 0.000 0.297 368 A C 0.191 178.001 177.584 0.378 0.000 1.472 368 A CA 0.912 53.031 52.037 0.137 0.000 0.739 368 A CB -2.281 16.614 19.000 -0.175 0.000 1.096 368 A HN 0.620 nan 8.150 nan 0.000 0.414 369 D N 0.263 120.863 120.400 0.334 0.000 2.348 369 D HA 0.449 5.089 4.640 -0.000 0.000 0.253 369 D C 0.595 177.028 176.300 0.222 0.000 1.161 369 D CA 0.237 54.368 54.000 0.219 0.000 0.876 369 D CB 0.533 41.384 40.800 0.085 0.000 1.160 369 D HN 0.552 nan 8.370 nan 0.000 0.459 370 Q N 2.931 122.801 119.800 0.117 0.000 2.296 370 Q HA 0.212 4.552 4.340 -0.000 0.000 0.262 370 Q C 1.096 177.008 176.000 -0.146 0.000 0.981 370 Q CA -0.127 55.628 55.803 -0.079 0.000 0.905 370 Q CB 1.256 29.966 28.738 -0.046 0.000 1.186 370 Q HN 0.530 nan 8.270 nan 0.000 0.399 371 L N 1.564 122.672 121.223 -0.191 0.000 2.191 371 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 371 L C 2.120 178.927 176.870 -0.106 0.000 1.103 371 L CA 1.205 55.969 54.840 -0.126 0.000 0.769 371 L CB -0.202 41.869 42.059 0.020 0.000 0.908 371 L HN 0.844 nan 8.230 nan 0.000 0.438 372 E N 0.679 120.862 120.200 -0.029 0.000 2.110 372 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 372 E C 2.343 178.886 176.600 -0.095 0.000 0.988 372 E CA 1.094 57.447 56.400 -0.079 0.000 0.804 372 E CB 0.069 29.779 29.700 0.016 0.000 0.745 372 E HN 0.326 nan 8.360 nan 0.000 0.458 373 R N 0.105 120.555 120.500 -0.084 0.000 2.066 373 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 373 R C 2.277 178.497 176.300 -0.133 0.000 1.131 373 R CA 1.568 57.624 56.100 -0.073 0.000 0.955 373 R CB -0.157 30.111 30.300 -0.053 0.000 0.851 373 R HN 0.126 nan 8.270 nan 0.000 0.432 374 V N 0.315 120.085 119.914 -0.239 0.000 2.427 374 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 374 V C 2.494 178.399 176.094 -0.315 0.000 1.051 374 V CA 1.621 63.716 62.300 -0.342 0.000 1.048 374 V CB -0.477 31.005 31.823 -0.568 0.000 0.666 374 V HN 0.531 nan 8.190 nan 0.000 0.456 375 C N 0.573 119.659 119.300 -0.356 0.000 2.435 375 C HA -0.023 4.437 4.460 -0.000 0.000 0.279 375 C C 2.004 176.998 174.990 0.006 0.000 1.321 375 C CA 0.250 59.046 59.018 -0.369 0.000 1.752 375 C CB -1.074 26.409 27.740 -0.429 0.000 1.959 375 C HN 0.714 nan 8.230 nan 0.000 0.500 376 S N 1.200 116.897 115.700 -0.006 0.000 2.558 376 S HA 0.114 4.584 4.470 -0.000 0.000 0.288 376 S C 0.180 174.838 174.600 0.098 0.000 1.318 376 S CA 0.408 58.659 58.200 0.085 0.000 1.056 376 S CB 0.212 63.440 63.200 0.047 0.000 0.853 376 S HN 0.576 nan 8.310 nan 0.000 0.505 377 D N 1.435 121.927 120.400 0.152 0.000 2.800 377 D HA -0.129 4.511 4.640 -0.000 0.000 0.232 377 D C 1.030 177.362 176.300 0.054 0.000 1.137 377 D CA 1.212 55.278 54.000 0.109 0.000 0.718 377 D CB -1.382 39.442 40.800 0.040 0.000 1.084 377 D HN 0.835 nan 8.370 nan 0.000 0.432 378 G N -0.197 108.691 108.800 0.146 0.000 2.450 378 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 378 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 378 G C 1.681 176.454 174.900 -0.212 0.000 1.130 378 G CA 1.541 46.574 45.100 -0.111 0.000 0.760 378 G HN 0.655 nan 8.290 nan 0.000 0.557 379 S N 0.531 116.264 115.700 0.053 0.000 2.383 379 S HA -0.096 4.374 4.470 -0.000 0.000 0.229 379 S C 2.360 176.913 174.600 -0.078 0.000 1.030 379 S CA 1.852 60.076 58.200 0.041 0.000 1.002 379 S CB -0.333 63.031 63.200 0.273 0.000 0.829 379 S HN 0.242 nan 8.310 nan 0.000 0.467 380 S N 1.604 117.258 115.700 -0.078 0.000 2.439 380 S HA 0.179 4.649 4.470 -0.000 0.000 0.224 380 S C 1.790 176.220 174.600 -0.283 0.000 1.029 380 S CA 0.445 58.569 58.200 -0.127 0.000 0.946 380 S CB -0.118 63.037 63.200 -0.076 0.000 0.797 380 S HN 0.562 nan 8.310 nan 0.000 0.504 381 K N 0.534 120.689 120.400 -0.409 0.000 2.116 381 K HA 0.104 4.424 4.320 -0.000 0.000 0.203 381 K C 1.514 177.684 176.600 -0.716 0.000 1.052 381 K CA 0.813 56.603 56.287 -0.828 0.000 0.952 381 K CB -0.242 31.757 32.500 -0.835 0.000 0.729 381 K HN 0.218 nan 8.250 nan 0.000 0.446 382 F N 1.886 121.548 119.950 -0.481 0.000 2.095 382 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 382 F C -0.747 174.906 175.800 -0.246 0.000 1.104 382 F CA 1.466 59.252 58.000 -0.356 0.000 1.232 382 F CB -0.901 37.779 39.000 -0.533 0.000 0.987 382 F HN 0.071 nan 8.300 nan 0.000 0.475 383 P HA -0.134 nan 4.420 nan 0.000 0.223 383 P C 0.985 178.264 177.300 -0.035 0.000 1.151 383 P CA 1.439 64.500 63.100 -0.065 0.000 0.787 383 P CB 0.112 31.756 31.700 -0.094 0.000 0.788 384 K N -1.008 119.324 120.400 -0.114 0.000 2.202 384 K HA 0.191 4.511 4.320 -0.000 0.000 0.201 384 K C 1.851 178.604 176.600 0.255 0.000 1.051 384 K CA 1.074 57.357 56.287 -0.007 0.000 0.977 384 K CB -0.470 31.941 32.500 -0.148 0.000 0.792 384 K HN 0.213 nan 8.250 nan 0.000 0.469 385 F N -0.980 118.943 119.950 -0.046 0.000 2.622 385 F HA 0.082 4.609 4.527 -0.000 0.000 0.288 385 F C 1.325 177.139 175.800 0.024 0.000 1.120 385 F CA 0.294 58.273 58.000 -0.035 0.000 1.423 385 F CB 0.739 39.674 39.000 -0.108 0.000 1.127 385 F HN -0.064 nan 8.300 nan 0.000 0.588 386 T N -1.201 113.493 114.554 0.233 0.000 3.115 386 T HA 0.048 4.398 4.350 -0.000 0.000 0.256 386 T C 1.787 176.653 174.700 0.277 0.000 0.970 386 T CA 0.162 62.426 62.100 0.274 0.000 1.010 386 T CB -0.087 68.936 68.868 0.260 0.000 1.151 386 T HN -0.150 nan 8.240 nan 0.000 0.479 387 V N 2.847 122.906 119.914 0.242 0.000 2.392 387 V HA -0.080 4.040 4.120 -0.000 0.000 0.249 387 V C -0.808 175.359 176.094 0.121 0.000 1.059 387 V CA 1.787 64.195 62.300 0.181 0.000 1.051 387 V CB -1.387 30.520 31.823 0.139 0.000 0.658 387 V HN 0.327 nan 8.190 nan 0.000 0.455 388 P HA -0.112 nan 4.420 nan 0.000 0.215 388 P C 1.854 179.205 177.300 0.085 0.000 1.153 388 P CA 1.620 64.772 63.100 0.087 0.000 0.853 388 P CB -0.155 31.598 31.700 0.088 0.000 0.788 389 T N -0.554 114.068 114.554 0.113 0.000 2.708 389 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 389 T C 1.749 176.516 174.700 0.112 0.000 1.037 389 T CA 1.107 63.266 62.100 0.098 0.000 1.146 389 T CB -0.903 68.040 68.868 0.126 0.000 0.865 389 T HN 0.059 nan 8.240 nan 0.000 0.435 390 I N 1.561 122.220 120.570 0.149 0.000 2.226 390 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 390 I C 2.366 178.511 176.117 0.048 0.000 1.100 390 I CA 0.934 62.308 61.300 0.123 0.000 1.374 390 I CB -0.383 37.654 38.000 0.062 0.000 1.057 390 I HN 0.174 nan 8.210 nan 0.000 0.413 391 N N 0.750 119.467 118.700 0.027 0.000 2.149 391 N HA -0.222 4.518 4.740 -0.000 0.000 0.188 391 N C 1.915 177.443 175.510 0.029 0.000 1.019 391 N CA 1.149 54.206 53.050 0.011 0.000 0.857 391 N CB -0.431 38.066 38.487 0.016 0.000 0.997 391 N HN 0.252 nan 8.380 nan 0.000 0.426 392 R N 1.283 121.806 120.500 0.039 0.000 2.075 392 R HA 0.097 4.437 4.340 -0.000 0.000 0.232 392 R C 2.078 178.403 176.300 0.042 0.000 1.126 392 R CA 0.914 57.035 56.100 0.034 0.000 0.963 392 R CB -0.689 29.628 30.300 0.028 0.000 0.858 392 R HN 0.203 nan 8.270 nan 0.000 0.435 393 L N -0.174 121.085 121.223 0.060 0.000 2.046 393 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 393 L C 2.435 179.354 176.870 0.081 0.000 1.077 393 L CA 1.458 56.343 54.840 0.076 0.000 0.747 393 L CB -0.495 41.635 42.059 0.119 0.000 0.896 393 L HN 0.184 nan 8.230 nan 0.000 0.432 394 I N 0.046 120.666 120.570 0.082 0.000 2.179 394 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 394 I C 2.830 178.979 176.117 0.054 0.000 1.088 394 I CA 1.220 62.566 61.300 0.078 0.000 1.357 394 I CB -0.431 37.601 38.000 0.053 0.000 1.051 394 I HN 0.208 nan 8.210 nan 0.000 0.409 395 A N 0.298 123.142 122.820 0.040 0.000 1.902 395 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 395 A C 1.838 179.441 177.584 0.032 0.000 1.181 395 A CA 1.997 54.052 52.037 0.031 0.000 0.623 395 A CB -0.527 18.488 19.000 0.025 0.000 0.818 395 A HN 0.342 nan 8.150 nan 0.000 0.443 396 D N -1.058 119.362 120.400 0.034 0.000 2.348 396 D HA 0.191 4.831 4.640 -0.000 0.000 0.216 396 D C 1.396 177.717 176.300 0.035 0.000 0.970 396 D CA 1.174 55.193 54.000 0.031 0.000 0.889 396 D CB -0.262 40.554 40.800 0.028 0.000 0.912 396 D HN 0.622 nan 8.370 nan 0.000 0.524 397 G N 1.118 109.945 108.800 0.046 0.000 2.176 397 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.252 397 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.252 397 G C 0.279 175.211 174.900 0.053 0.000 1.024 397 G CA 0.018 45.147 45.100 0.049 0.000 0.755 397 G HN 0.292 nan 8.290 nan 0.000 0.507 398 R N -0.415 120.121 120.500 0.059 0.000 2.549 398 R HA 0.512 4.852 4.340 -0.000 0.000 0.267 398 R C 0.432 176.781 176.300 0.082 0.000 1.045 398 R CA -0.819 55.317 56.100 0.060 0.000 1.115 398 R CB 0.514 30.844 30.300 0.050 0.000 1.121 398 R HN 0.227 nan 8.270 nan 0.000 0.543 399 E N 0.639 120.886 120.200 0.077 0.000 2.493 399 E HA -0.079 4.271 4.350 -0.000 0.000 0.255 399 E C 0.240 176.918 176.600 0.130 0.000 0.999 399 E CA 0.605 57.059 56.400 0.091 0.000 0.934 399 E CB 0.581 30.329 29.700 0.079 0.000 0.940 399 E HN 0.651 nan 8.360 nan 0.000 0.473 400 T N 0.350 114.996 114.554 0.154 0.000 3.040 400 T HA 0.104 4.454 4.350 -0.000 0.000 0.250 400 T C 1.368 176.188 174.700 0.201 0.000 1.058 400 T CA 0.267 62.506 62.100 0.232 0.000 0.988 400 T CB -0.004 69.076 68.868 0.354 0.000 0.993 400 T HN 0.547 nan 8.240 nan 0.000 0.519 401 E N 1.561 121.837 120.200 0.128 0.000 2.097 401 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 401 E C 2.346 179.052 176.600 0.177 0.000 1.000 401 E CA 1.051 57.509 56.400 0.096 0.000 0.804 401 E CB -0.023 29.716 29.700 0.064 0.000 0.740 401 E HN 0.505 nan 8.360 nan 0.000 0.454 402 R N -0.322 120.334 120.500 0.259 0.000 2.075 402 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 402 R C 2.349 178.917 176.300 0.446 0.000 1.126 402 R CA 1.143 57.492 56.100 0.414 0.000 0.963 402 R CB -0.213 30.357 30.300 0.450 0.000 0.858 402 R HN 0.146 nan 8.270 nan 0.000 0.435 403 A N 0.965 124.053 122.820 0.447 0.000 1.929 403 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 403 A C 2.304 180.182 177.584 0.490 0.000 1.176 403 A CA 1.387 53.728 52.037 0.506 0.000 0.628 403 A CB -0.484 18.847 19.000 0.551 0.000 0.816 403 A HN 0.373 nan 8.150 nan 0.000 0.444 404 A N -0.473 122.577 122.820 0.384 0.000 1.969 404 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 404 A C 2.051 179.772 177.584 0.228 0.000 1.169 404 A CA 1.589 53.752 52.037 0.210 0.000 0.635 404 A CB -0.526 18.291 19.000 -0.306 0.000 0.810 404 A HN 0.635 nan 8.150 nan 0.000 0.445 405 L N 0.042 121.382 121.223 0.196 0.000 2.131 405 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 405 L C 2.299 179.320 176.870 0.252 0.000 1.092 405 L CA 1.749 56.670 54.840 0.134 0.000 0.759 405 L CB -0.465 41.618 42.059 0.041 0.000 0.903 405 L HN 0.162 nan 8.230 nan 0.000 0.435 406 V N -1.323 118.813 119.914 0.371 0.000 2.343 406 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 406 V C 2.450 178.906 176.094 0.604 0.000 1.051 406 V CA 1.679 64.262 62.300 0.471 0.000 1.036 406 V CB -0.635 31.449 31.823 0.435 0.000 0.654 406 V HN 0.346 nan 8.190 nan 0.000 0.451 407 V N 0.295 120.552 119.914 0.571 0.000 2.453 407 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 407 V C 2.664 179.100 176.094 0.570 0.000 1.048 407 V CA 1.720 64.317 62.300 0.494 0.000 1.049 407 V CB -1.041 31.068 31.823 0.477 0.000 0.672 407 V HN 0.537 nan 8.190 nan 0.000 0.457 408 A N 0.170 123.238 122.820 0.414 0.000 1.930 408 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 408 A C 2.432 180.169 177.584 0.255 0.000 1.175 408 A CA 1.812 53.922 52.037 0.123 0.000 0.627 408 A CB -0.679 18.204 19.000 -0.195 0.000 0.815 408 A HN 0.531 nan 8.150 nan 0.000 0.443 409 A N -1.355 121.635 122.820 0.285 0.000 1.877 409 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 409 A C 1.975 179.810 177.584 0.418 0.000 1.186 409 A CA 1.650 53.880 52.037 0.321 0.000 0.620 409 A CB -0.933 18.284 19.000 0.361 0.000 0.822 409 A HN 0.825 nan 8.150 nan 0.000 0.443 410 W N 0.722 122.120 121.300 0.163 0.000 2.335 410 W HA -0.150 4.510 4.660 -0.000 0.000 0.311 410 W C 2.516 179.123 176.519 0.145 0.000 1.213 410 W CA 1.963 59.243 57.345 -0.108 0.000 1.274 410 W CB -0.515 28.791 29.460 -0.256 0.000 1.148 410 W HN 0.376 nan 8.180 nan 0.000 0.498 411 A N 0.028 122.989 122.820 0.235 0.000 1.883 411 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 411 A C 2.002 179.691 177.584 0.176 0.000 1.186 411 A CA 2.059 54.150 52.037 0.090 0.000 0.624 411 A CB -1.250 17.908 19.000 0.263 0.000 0.822 411 A HN 0.391 nan 8.150 nan 0.000 0.444 412 L N -1.644 119.778 121.223 0.332 0.000 2.072 412 L HA -0.088 4.252 4.340 -0.000 0.000 0.205 412 L C 2.329 179.323 176.870 0.206 0.000 1.079 412 L CA 2.283 57.274 54.840 0.252 0.000 0.752 412 L CB -0.932 41.166 42.059 0.066 0.000 0.906 412 L HN 0.559 nan 8.230 nan 0.000 0.436 413 Y N -0.233 120.159 120.300 0.153 0.000 2.193 413 Y HA -0.254 4.296 4.550 -0.000 0.000 0.285 413 Y C 2.049 178.029 175.900 0.134 0.000 1.166 413 Y CA 1.838 60.091 58.100 0.255 0.000 1.181 413 Y CB -0.381 38.280 38.460 0.335 0.000 0.976 413 Y HN 0.201 nan 8.280 nan 0.000 0.520 414 L N 0.430 121.590 121.223 -0.106 0.000 2.450 414 L HA -0.184 4.156 4.340 -0.000 0.000 0.224 414 L C 1.994 178.701 176.870 -0.271 0.000 1.149 414 L CA 1.238 55.886 54.840 -0.319 0.000 0.816 414 L CB -0.409 41.372 42.059 -0.464 0.000 0.932 414 L HN 0.224 nan 8.230 nan 0.000 0.449 415 K N 0.079 120.372 120.400 -0.177 0.000 2.432 415 K HA 0.075 4.395 4.320 -0.000 0.000 0.196 415 K C 1.284 177.707 176.600 -0.295 0.000 1.038 415 K CA 0.580 56.764 56.287 -0.171 0.000 0.986 415 K CB 0.024 32.483 32.500 -0.069 0.000 0.782 415 K HN 0.356 nan 8.250 nan 0.000 0.485 416 G N 1.290 109.799 108.800 -0.485 0.000 2.198 416 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 416 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 416 G C -0.224 174.041 174.900 -1.059 0.000 1.025 416 G CA 0.140 44.590 45.100 -1.083 0.000 0.769 416 G HN 0.133 nan 8.290 nan 0.000 0.507 417 V N 1.047 120.706 119.914 -0.424 0.000 2.623 417 V HA 0.540 4.660 4.120 -0.000 0.000 0.304 417 V C 0.009 176.221 176.094 0.198 0.000 1.054 417 V CA -0.518 61.724 62.300 -0.097 0.000 0.882 417 V CB 1.994 33.767 31.823 -0.083 0.000 1.002 417 V HN 0.515 nan 8.190 nan 0.000 0.424 418 D N 2.576 123.162 120.400 0.310 0.000 2.451 418 D HA 0.193 4.833 4.640 -0.000 0.000 0.259 418 D C 0.724 177.060 176.300 0.060 0.000 1.201 418 D CA -0.577 53.545 54.000 0.205 0.000 1.028 418 D CB 0.918 41.777 40.800 0.098 0.000 1.095 418 D HN 0.541 nan 8.370 nan 0.000 0.539 419 E N -1.179 119.024 120.200 0.006 0.000 2.478 419 E HA -0.060 4.290 4.350 -0.000 0.000 0.198 419 E C 0.391 176.969 176.600 -0.037 0.000 1.046 419 E CA 0.282 56.666 56.400 -0.027 0.000 0.870 419 E CB -0.102 29.566 29.700 -0.054 0.000 0.818 419 E HN 0.312 nan 8.360 nan 0.000 0.527 420 N N -0.223 118.455 118.700 -0.036 0.000 2.270 420 N HA 0.037 4.777 4.740 -0.000 0.000 0.198 420 N C 0.836 176.336 175.510 -0.017 0.000 1.117 420 N CA 0.687 53.716 53.050 -0.036 0.000 0.845 420 N CB 1.338 39.794 38.487 -0.051 0.000 0.980 420 N HN 0.250 nan 8.380 nan 0.000 0.486 421 G N -0.056 108.741 108.800 -0.006 0.000 2.159 421 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.256 421 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.256 421 G C -0.065 174.840 174.900 0.008 0.000 0.977 421 G CA 0.173 45.271 45.100 -0.003 0.000 0.652 421 G HN 0.181 nan 8.290 nan 0.000 0.531 422 V N 1.467 121.399 119.914 0.031 0.000 2.461 422 V HA 0.548 4.668 4.120 -0.000 0.000 0.275 422 V C 0.836 176.996 176.094 0.110 0.000 1.047 422 V CA -0.043 62.292 62.300 0.058 0.000 0.955 422 V CB 1.622 33.476 31.823 0.052 0.000 0.988 422 V HN 0.333 nan 8.190 nan 0.000 0.471 423 S N 4.933 120.659 115.700 0.044 0.000 2.513 423 S HA 0.645 5.115 4.470 -0.000 0.000 0.276 423 S C -0.675 173.947 174.600 0.037 0.000 1.254 423 S CA -0.361 57.807 58.200 -0.054 0.000 1.053 423 S CB 0.378 63.532 63.200 -0.077 0.000 0.958 423 S HN 0.690 nan 8.310 nan 0.000 0.491 424 Y N -0.624 119.696 120.300 0.033 0.000 2.609 424 Y HA 0.768 5.318 4.550 -0.000 0.000 0.342 424 Y C -0.046 175.854 175.900 -0.001 0.000 1.058 424 Y CA -1.212 56.928 58.100 0.066 0.000 1.055 424 Y CB 0.576 39.167 38.460 0.220 0.000 1.292 424 Y HN 0.392 nan 8.280 nan 0.000 0.476 425 T N 1.833 116.493 114.554 0.177 0.000 2.927 425 T HA 0.534 4.884 4.350 -0.000 0.000 0.281 425 T C -0.674 174.104 174.700 0.130 0.000 0.998 425 T CA -0.680 61.459 62.100 0.065 0.000 1.019 425 T CB 0.318 69.218 68.868 0.052 0.000 1.061 425 T HN 0.498 nan 8.240 nan 0.000 0.518 426 I N 5.177 125.778 120.570 0.052 0.000 2.306 426 I HA 0.298 4.468 4.170 -0.000 0.000 0.288 426 I C -1.904 174.293 176.117 0.133 0.000 1.036 426 I CA -3.471 57.883 61.300 0.091 0.000 1.221 426 I CB 0.680 38.703 38.000 0.038 0.000 1.385 426 I HN 0.427 nan 8.210 nan 0.000 0.472 427 P HA 0.236 nan 4.420 nan 0.000 0.247 427 P C -0.625 176.773 177.300 0.164 0.000 1.756 427 P CA 0.100 63.279 63.100 0.132 0.000 1.117 427 P CB 0.822 32.583 31.700 0.102 0.000 1.869 428 D N 3.552 124.051 120.400 0.165 0.000 2.934 428 D HA 0.168 4.808 4.640 -0.000 0.000 0.230 428 D C -1.821 174.565 176.300 0.144 0.000 1.204 428 D CA -1.998 52.114 54.000 0.188 0.000 0.873 428 D CB 2.908 43.876 40.800 0.280 0.000 1.645 428 D HN -0.003 nan 8.370 nan 0.000 0.502 429 P HA -0.039 nan 4.420 nan 0.000 0.225 429 P C 0.414 177.778 177.300 0.106 0.000 1.148 429 P CA 0.564 63.721 63.100 0.093 0.000 0.779 429 P CB 0.477 32.220 31.700 0.072 0.000 0.780 430 R N -0.889 119.705 120.500 0.157 0.000 2.700 430 R HA 0.420 4.760 4.340 -0.000 0.000 0.399 430 R C 1.634 178.071 176.300 0.229 0.000 1.115 430 R CA -0.021 56.201 56.100 0.204 0.000 1.058 430 R CB 0.193 30.652 30.300 0.266 0.000 1.389 430 R HN 0.009 nan 8.270 nan 0.000 0.582 431 A N 1.636 124.553 122.820 0.161 0.000 1.873 431 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 431 A C 2.028 179.653 177.584 0.068 0.000 1.193 431 A CA 1.810 53.913 52.037 0.111 0.000 0.629 431 A CB -0.253 18.797 19.000 0.083 0.000 0.826 431 A HN 0.474 nan 8.150 nan 0.000 0.447 432 E N -1.467 118.783 120.200 0.082 0.000 2.058 432 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 432 E C 1.814 178.458 176.600 0.074 0.000 0.997 432 E CA 1.513 57.949 56.400 0.059 0.000 0.801 432 E CB -0.301 29.440 29.700 0.069 0.000 0.746 432 E HN 0.600 nan 8.360 nan 0.000 0.450 433 F N 1.092 121.041 119.950 -0.002 0.000 2.069 433 F HA -0.270 4.257 4.527 0.000 0.000 0.298 433 F C 2.228 178.018 175.800 -0.016 0.000 1.113 433 F CA 1.663 59.663 58.000 -0.001 0.000 1.214 433 F CB -0.745 38.267 39.000 0.019 0.000 0.978 433 F HN 0.163 nan 8.300 nan 0.000 0.474 434 C N 0.658 119.836 119.300 -0.203 0.000 2.429 434 C HA -0.179 4.281 4.460 -0.000 0.000 0.277 434 C C 2.729 177.510 174.990 -0.349 0.000 1.262 434 C CA 1.222 60.030 59.018 -0.350 0.000 1.733 434 C CB -1.343 26.310 27.740 -0.145 0.000 2.010 434 C HN 0.564 nan 8.230 nan 0.000 0.483 435 Q N 0.290 119.954 119.800 -0.227 0.000 2.181 435 Q HA -0.116 4.224 4.340 -0.000 0.000 0.205 435 Q C 2.424 178.303 176.000 -0.200 0.000 0.980 435 Q CA 1.732 57.409 55.803 -0.210 0.000 0.862 435 Q CB -0.453 28.196 28.738 -0.147 0.000 0.905 435 Q HN 0.817 nan 8.270 nan 0.000 0.429 436 G N 0.760 109.441 108.800 -0.198 0.000 2.443 436 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 436 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 436 G C 1.338 176.112 174.900 -0.210 0.000 1.131 436 G CA 0.242 45.240 45.100 -0.170 0.000 0.775 436 G HN 0.196 nan 8.290 nan 0.000 0.547 437 L N 0.756 121.794 121.223 -0.309 0.000 2.362 437 L HA 0.019 4.359 4.340 -0.000 0.000 0.219 437 L C 2.158 178.897 176.870 -0.217 0.000 1.134 437 L CA 0.498 55.168 54.840 -0.284 0.000 0.807 437 L CB -0.050 41.789 42.059 -0.366 0.000 0.927 437 L HN 0.274 nan 8.230 nan 0.000 0.447 438 V N -4.902 114.887 119.914 -0.210 0.000 3.214 438 V HA 0.160 4.280 4.120 -0.000 0.000 0.330 438 V C 1.866 177.888 176.094 -0.119 0.000 1.403 438 V CA 0.405 62.602 62.300 -0.173 0.000 1.143 438 V CB 0.113 31.830 31.823 -0.176 0.000 1.098 438 V HN 0.324 nan 8.190 nan 0.000 0.463 439 S N -0.742 114.890 115.700 -0.113 0.000 2.453 439 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 439 S C 0.776 175.341 174.600 -0.059 0.000 1.005 439 S CA 1.007 59.159 58.200 -0.081 0.000 0.949 439 S CB -0.220 62.933 63.200 -0.078 0.000 0.774 439 S HN 0.656 nan 8.310 nan 0.000 0.510 440 D N 0.737 121.097 120.400 -0.066 0.000 2.454 440 D HA 0.312 4.952 4.640 -0.000 0.000 0.247 440 D C -0.374 175.894 176.300 -0.054 0.000 1.129 440 D CA -0.414 53.556 54.000 -0.049 0.000 0.877 440 D CB 1.398 42.170 40.800 -0.047 0.000 1.082 440 D HN -0.176 nan 8.370 nan 0.000 0.537 441 D N 2.489 122.876 120.400 -0.022 0.000 2.203 441 D HA -0.181 4.459 4.640 -0.000 0.000 0.199 441 D C 1.760 178.038 176.300 -0.036 0.000 0.997 441 D CA 1.343 55.335 54.000 -0.013 0.000 0.863 441 D CB 0.205 41.057 40.800 0.087 0.000 0.928 441 D HN 0.558 nan 8.370 nan 0.000 0.458 442 A N -0.518 122.288 122.820 -0.023 0.000 2.066 442 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 442 A C 1.917 179.481 177.584 -0.034 0.000 1.157 442 A CA 0.675 52.700 52.037 -0.020 0.000 0.670 442 A CB -0.148 18.844 19.000 -0.014 0.000 0.804 442 A HN 0.284 nan 8.150 nan 0.000 0.453 443 L N -0.942 120.250 121.223 -0.052 0.000 2.808 443 L HA 0.284 4.624 4.340 -0.000 0.000 0.246 443 L C 1.532 178.349 176.870 -0.089 0.000 1.153 443 L CA -0.176 54.628 54.840 -0.060 0.000 0.956 443 L CB 0.030 42.055 42.059 -0.056 0.000 1.270 443 L HN 0.267 nan 8.230 nan 0.000 0.528 444 I N 0.445 120.945 120.570 -0.116 0.000 2.127 444 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 444 I C 2.788 178.824 176.117 -0.135 0.000 1.075 444 I CA 2.041 63.248 61.300 -0.155 0.000 1.334 444 I CB -0.218 37.611 38.000 -0.284 0.000 1.040 444 I HN 0.420 nan 8.210 nan 0.000 0.405 445 S N 0.512 116.178 115.700 -0.058 0.000 2.382 445 S HA -0.265 4.205 4.470 -0.000 0.000 0.228 445 S C 1.910 176.394 174.600 -0.193 0.000 1.027 445 S CA 1.198 59.293 58.200 -0.175 0.000 0.991 445 S CB -0.612 62.588 63.200 -0.000 0.000 0.823 445 S HN 0.503 nan 8.310 nan 0.000 0.469 446 Q N 0.901 120.636 119.800 -0.108 0.000 2.084 446 Q HA -0.013 4.327 4.340 -0.000 0.000 0.202 446 Q C 2.601 178.546 176.000 -0.091 0.000 0.978 446 Q CA 1.528 57.280 55.803 -0.085 0.000 0.844 446 Q CB -0.134 28.573 28.738 -0.053 0.000 0.898 446 Q HN 0.640 nan 8.270 nan 0.000 0.426 447 R N -0.263 120.175 120.500 -0.104 0.000 2.075 447 R HA -0.008 4.332 4.340 -0.000 0.000 0.220 447 R C 2.225 178.461 176.300 -0.106 0.000 1.118 447 R CA 0.532 56.576 56.100 -0.093 0.000 0.986 447 R CB -0.358 29.878 30.300 -0.106 0.000 0.884 447 R HN 0.109 nan 8.270 nan 0.000 0.439 448 L N 1.341 122.468 121.223 -0.161 0.000 2.027 448 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 448 L C 1.836 178.640 176.870 -0.110 0.000 1.074 448 L CA 1.690 56.451 54.840 -0.132 0.000 0.745 448 L CB -0.291 41.647 42.059 -0.201 0.000 0.898 448 L HN 0.126 nan 8.230 nan 0.000 0.433 449 L N -0.465 120.547 121.223 -0.351 0.000 2.465 449 L HA -0.019 4.321 4.340 -0.000 0.000 0.224 449 L C 2.180 178.994 176.870 -0.093 0.000 1.145 449 L CA 0.635 55.208 54.840 -0.445 0.000 0.834 449 L CB -0.759 40.981 42.059 -0.532 0.000 0.944 449 L HN 0.369 nan 8.230 nan 0.000 0.451 450 A N -0.439 122.371 122.820 -0.017 0.000 2.251 450 A HA 0.148 4.468 4.320 -0.000 0.000 0.209 450 A C 0.899 178.558 177.584 0.124 0.000 1.187 450 A CA -0.034 52.028 52.037 0.043 0.000 0.823 450 A CB -0.148 18.861 19.000 0.016 0.000 0.846 450 A HN 0.114 nan 8.150 nan 0.000 0.486 451 V N 1.403 121.450 119.914 0.222 0.000 2.352 451 V HA 0.030 4.150 4.120 -0.000 0.000 0.253 451 V C 1.237 177.446 176.094 0.192 0.000 1.083 451 V CA 0.042 62.491 62.300 0.248 0.000 0.993 451 V CB 0.049 32.073 31.823 0.335 0.000 1.111 451 V HN 0.668 nan 8.190 nan 0.000 0.490 452 E N 3.471 123.744 120.200 0.123 0.000 2.097 452 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 452 E C 2.005 178.629 176.600 0.040 0.000 1.000 452 E CA 1.548 57.996 56.400 0.080 0.000 0.804 452 E CB 0.219 29.951 29.700 0.053 0.000 0.740 452 E HN 0.903 nan 8.360 nan 0.000 0.454 453 E N 0.265 120.479 120.200 0.023 0.000 2.478 453 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 453 E C 1.695 178.256 176.600 -0.065 0.000 1.046 453 E CA 0.716 57.109 56.400 -0.012 0.000 0.870 453 E CB -0.012 29.679 29.700 -0.016 0.000 0.818 453 E HN 0.428 nan 8.360 nan 0.000 0.527 454 I N -1.174 119.321 120.570 -0.125 0.000 3.136 454 I HA 0.040 4.210 4.170 -0.000 0.000 0.262 454 I C 1.465 177.271 176.117 -0.517 0.000 1.132 454 I CA 0.382 61.445 61.300 -0.394 0.000 1.450 454 I CB 0.038 37.646 38.000 -0.653 0.000 1.315 454 I HN -0.090 nan 8.210 nan 0.000 0.460 455 F N 0.985 120.927 119.950 -0.013 0.000 2.721 455 F HA 0.420 4.947 4.527 -0.000 0.000 0.301 455 F C 1.437 177.198 175.800 -0.065 0.000 1.096 455 F CA 0.283 58.247 58.000 -0.060 0.000 1.308 455 F CB 0.214 39.150 39.000 -0.106 0.000 1.086 455 F HN 0.148 nan 8.300 nan 0.000 0.587 456 G N 1.069 109.931 108.800 0.104 0.000 2.698 456 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.233 456 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.233 456 G C 0.758 175.687 174.900 0.048 0.000 1.352 456 G CA 0.137 45.271 45.100 0.057 0.000 0.879 456 G HN 0.307 nan 8.290 nan 0.000 0.567 457 T N -2.739 111.829 114.554 0.023 0.000 3.014 457 T HA 0.566 4.916 4.350 -0.000 0.000 0.250 457 T C 2.458 177.155 174.700 -0.005 0.000 1.060 457 T CA 1.510 63.617 62.100 0.012 0.000 1.040 457 T CB 0.272 69.149 68.868 0.014 0.000 0.971 457 T HN 1.890 nan 8.240 nan 0.000 0.497 458 A N 1.875 124.685 122.820 -0.017 0.000 1.898 458 A HA 0.208 4.528 4.320 -0.000 0.000 0.216 458 A C 2.237 179.779 177.584 -0.068 0.000 1.181 458 A CA 0.942 52.961 52.037 -0.030 0.000 0.620 458 A CB -0.833 18.150 19.000 -0.028 0.000 0.819 458 A HN 0.503 nan 8.150 nan 0.000 0.442 459 I N 0.517 121.000 120.570 -0.145 0.000 2.091 459 I HA -0.190 3.980 4.170 -0.000 0.000 0.239 459 I C -0.366 175.676 176.117 -0.126 0.000 1.061 459 I CA 1.887 63.009 61.300 -0.297 0.000 1.317 459 I CB -0.918 36.802 38.000 -0.466 0.000 1.031 459 I HN 0.289 nan 8.210 nan 0.000 0.401 460 P HA -0.100 nan 4.420 nan 0.000 0.226 460 P C 0.515 177.812 177.300 -0.005 0.000 1.153 460 P CA 1.333 64.404 63.100 -0.049 0.000 0.777 460 P CB -0.155 31.515 31.700 -0.049 0.000 0.794 461 N N -0.423 118.277 118.700 0.001 0.000 2.268 461 N HA 0.020 4.760 4.740 -0.000 0.000 0.204 461 N C 0.165 175.696 175.510 0.035 0.000 1.124 461 N CA 0.297 53.357 53.050 0.016 0.000 0.838 461 N CB 0.265 38.758 38.487 0.010 0.000 0.994 461 N HN 0.035 nan 8.380 nan 0.000 0.489 462 S N 1.443 117.180 115.700 0.062 0.000 2.474 462 S HA 0.364 4.834 4.470 -0.000 0.000 0.320 462 S C -1.782 172.892 174.600 0.123 0.000 1.067 462 S CA -1.657 56.603 58.200 0.100 0.000 1.127 462 S CB 1.329 64.614 63.200 0.142 0.000 0.971 462 S HN -0.101 nan 8.310 nan 0.000 0.472 463 P HA -0.069 nan 4.420 nan 0.000 0.216 463 P C 0.859 178.208 177.300 0.080 0.000 1.150 463 P CA 1.002 64.144 63.100 0.070 0.000 0.837 463 P CB 0.229 31.958 31.700 0.048 0.000 0.786 464 E N -1.534 118.723 120.200 0.094 0.000 2.077 464 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 464 E C 1.706 178.368 176.600 0.104 0.000 0.989 464 E CA 0.966 57.419 56.400 0.089 0.000 0.800 464 E CB -0.973 28.785 29.700 0.096 0.000 0.746 464 E HN 0.231 nan 8.360 nan 0.000 0.452 465 F N 0.381 120.361 119.950 0.051 0.000 2.113 465 F HA -0.160 4.367 4.527 0.000 0.000 0.297 465 F C 1.979 177.829 175.800 0.084 0.000 1.103 465 F CA 0.873 58.914 58.000 0.068 0.000 1.248 465 F CB -0.216 38.810 39.000 0.044 0.000 0.999 465 F HN -0.164 nan 8.300 nan 0.000 0.475 466 V N 0.669 120.668 119.914 0.142 0.000 2.332 466 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 466 V C 2.736 178.846 176.094 0.028 0.000 1.055 466 V CA 1.869 64.216 62.300 0.077 0.000 1.038 466 V CB -1.561 30.313 31.823 0.085 0.000 0.651 466 V HN 0.495 nan 8.190 nan 0.000 0.450 467 A N -0.201 122.624 122.820 0.007 0.000 1.902 467 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 467 A C 2.420 179.974 177.584 -0.050 0.000 1.181 467 A CA 2.023 54.057 52.037 -0.005 0.000 0.623 467 A CB -0.720 18.282 19.000 0.003 0.000 0.818 467 A HN 0.573 nan 8.150 nan 0.000 0.443 468 A N -1.059 121.692 122.820 -0.114 0.000 1.902 468 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 468 A C 2.053 179.520 177.584 -0.195 0.000 1.181 468 A CA 1.570 53.515 52.037 -0.153 0.000 0.623 468 A CB -0.733 18.151 19.000 -0.194 0.000 0.818 468 A HN 0.720 nan 8.150 nan 0.000 0.443 469 F N 1.093 120.777 119.950 -0.444 0.000 2.075 469 F HA -0.177 4.350 4.527 0.000 0.000 0.297 469 F C 2.193 177.919 175.800 -0.123 0.000 1.113 469 F CA 2.300 60.096 58.000 -0.340 0.000 1.218 469 F CB -0.346 38.403 39.000 -0.419 0.000 0.984 469 F HN 0.362 nan 8.300 nan 0.000 0.472 470 E N 0.290 120.444 120.200 -0.077 0.000 2.077 470 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 470 E C 2.254 178.784 176.600 -0.116 0.000 0.989 470 E CA 1.558 57.898 56.400 -0.101 0.000 0.800 470 E CB -0.291 29.433 29.700 0.039 0.000 0.746 470 E HN 0.581 nan 8.360 nan 0.000 0.452 471 R N 0.400 120.841 120.500 -0.098 0.000 2.115 471 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 471 R C 2.279 178.516 176.300 -0.105 0.000 1.100 471 R CA 1.286 57.341 56.100 -0.075 0.000 0.980 471 R CB -0.753 29.516 30.300 -0.051 0.000 0.875 471 R HN 0.098 nan 8.270 nan 0.000 0.445 472 C N 0.694 119.902 119.300 -0.154 0.000 2.432 472 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 472 C C 2.519 177.394 174.990 -0.191 0.000 1.249 472 C CA 0.532 59.455 59.018 -0.159 0.000 1.725 472 C CB -1.074 26.569 27.740 -0.161 0.000 2.028 472 C HN 0.560 nan 8.230 nan 0.000 0.477 473 Y N 2.031 122.079 120.300 -0.420 0.000 2.145 473 Y HA -0.032 4.518 4.550 0.000 0.000 0.286 473 Y C 2.418 178.187 175.900 -0.218 0.000 1.145 473 Y CA 1.857 59.726 58.100 -0.385 0.000 1.148 473 Y CB -0.866 37.227 38.460 -0.611 0.000 0.981 473 Y HN 0.243 nan 8.280 nan 0.000 0.507 474 G N -1.202 107.535 108.800 -0.105 0.000 2.440 474 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 474 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 474 G C 1.912 176.709 174.900 -0.172 0.000 1.154 474 G CA 1.091 46.118 45.100 -0.122 0.000 0.767 474 G HN 0.466 nan 8.290 nan 0.000 0.552 475 S N -0.158 115.456 115.700 -0.143 0.000 2.368 475 S HA 0.012 4.482 4.470 -0.000 0.000 0.225 475 S C 2.440 176.941 174.600 -0.165 0.000 1.030 475 S CA 0.998 59.128 58.200 -0.117 0.000 0.999 475 S CB -0.252 62.901 63.200 -0.078 0.000 0.844 475 S HN 0.342 nan 8.310 nan 0.000 0.459 476 L N 1.051 122.141 121.223 -0.221 0.000 2.017 476 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 476 L C 2.908 179.633 176.870 -0.243 0.000 1.073 476 L CA 1.651 56.359 54.840 -0.219 0.000 0.745 476 L CB -0.571 41.354 42.059 -0.223 0.000 0.894 476 L HN 0.341 nan 8.230 nan 0.000 0.432 477 R N 0.175 120.452 120.500 -0.371 0.000 2.091 477 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 477 R C 1.654 177.843 176.300 -0.184 0.000 1.136 477 R CA 2.127 58.032 56.100 -0.325 0.000 0.959 477 R CB -0.089 29.944 30.300 -0.445 0.000 0.856 477 R HN 0.369 nan 8.270 nan 0.000 0.437 478 D N -0.508 119.798 120.400 -0.158 0.000 2.216 478 D HA -0.023 4.617 4.640 -0.000 0.000 0.208 478 D C 1.025 177.276 176.300 -0.082 0.000 0.960 478 D CA 0.777 54.717 54.000 -0.099 0.000 0.861 478 D CB -0.085 40.670 40.800 -0.075 0.000 0.985 478 D HN 0.284 nan 8.370 nan 0.000 0.493 479 N N 0.035 118.680 118.700 -0.093 0.000 2.250 479 N HA 0.214 4.954 4.740 -0.000 0.000 0.190 479 N C 1.035 176.482 175.510 -0.104 0.000 1.116 479 N CA 0.655 53.653 53.050 -0.087 0.000 0.881 479 N CB 1.834 40.270 38.487 -0.086 0.000 1.006 479 N HN 0.151 nan 8.380 nan 0.000 0.491 480 G N 0.448 109.181 108.800 -0.112 0.000 2.746 480 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.685 480 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.685 480 G C 0.763 175.593 174.900 -0.116 0.000 1.350 480 G CA -0.335 44.704 45.100 -0.102 0.000 0.837 480 G HN -0.055 nan 8.290 nan 0.000 0.564 481 V N 0.679 120.538 119.914 -0.091 0.000 2.255 481 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 481 V C 3.172 179.189 176.094 -0.128 0.000 1.051 481 V CA 3.314 65.553 62.300 -0.101 0.000 1.018 481 V CB -1.208 30.602 31.823 -0.021 0.000 0.641 481 V HN 1.012 nan 8.190 nan 0.000 0.445 482 T N -0.508 114.003 114.554 -0.073 0.000 2.652 482 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 482 T C 1.942 176.559 174.700 -0.139 0.000 1.039 482 T CA 2.228 64.292 62.100 -0.059 0.000 1.153 482 T CB -0.453 68.410 68.868 -0.009 0.000 0.863 482 T HN 0.553 nan 8.240 nan 0.000 0.428 483 T N 1.645 116.090 114.554 -0.182 0.000 2.821 483 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 483 T C 2.279 176.709 174.700 -0.450 0.000 1.046 483 T CA 1.481 63.386 62.100 -0.325 0.000 1.139 483 T CB -0.620 68.066 68.868 -0.303 0.000 0.871 483 T HN 0.398 nan 8.240 nan 0.000 0.454 484 T N 2.410 116.788 114.554 -0.294 0.000 2.746 484 T HA 0.033 4.383 4.350 -0.000 0.000 0.267 484 T C 1.936 176.506 174.700 -0.217 0.000 1.039 484 T CA 0.860 62.819 62.100 -0.234 0.000 1.142 484 T CB -0.393 68.360 68.868 -0.191 0.000 0.866 484 T HN 0.258 nan 8.240 nan 0.000 0.444 485 L N 0.261 121.334 121.223 -0.250 0.000 2.093 485 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 485 L C 2.647 179.441 176.870 -0.126 0.000 1.085 485 L CA 1.317 56.008 54.840 -0.248 0.000 0.755 485 L CB -0.392 41.483 42.059 -0.307 0.000 0.904 485 L HN 0.243 nan 8.230 nan 0.000 0.435 486 K N -0.747 119.574 120.400 -0.132 0.000 2.026 486 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 486 K C 1.972 178.602 176.600 0.050 0.000 1.048 486 K CA 1.558 57.813 56.287 -0.053 0.000 0.929 486 K CB -0.276 32.169 32.500 -0.092 0.000 0.713 486 K HN 0.481 nan 8.250 nan 0.000 0.439 487 H N 0.047 119.095 119.070 -0.037 0.000 2.326 487 H HA -0.113 4.443 4.556 0.000 0.000 0.301 487 H C 2.141 177.456 175.328 -0.022 0.000 1.081 487 H CA 0.874 56.905 56.048 -0.029 0.000 1.334 487 H CB 0.038 29.777 29.762 -0.038 0.000 1.385 487 H HN 0.014 nan 8.280 nan 0.000 0.504 488 L N 1.062 122.341 121.223 0.092 0.000 2.079 488 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 488 L C 1.981 178.893 176.870 0.070 0.000 1.081 488 L CA 1.383 56.254 54.840 0.052 0.000 0.752 488 L CB -0.500 41.553 42.059 -0.011 0.000 0.896 488 L HN 0.255 nan 8.230 nan 0.000 0.433 489 L N -0.524 120.737 121.223 0.063 0.000 2.201 489 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 489 L C 1.015 177.927 176.870 0.070 0.000 1.105 489 L CA 0.675 55.562 54.840 0.078 0.000 0.775 489 L CB -0.451 41.650 42.059 0.069 0.000 0.913 489 L HN 0.157 nan 8.230 nan 0.000 0.440 490 K N 1.663 122.102 120.400 0.066 0.000 2.758 490 K HA 0.211 4.531 4.320 -0.000 0.000 0.250 490 K C -0.464 176.162 176.600 0.044 0.000 1.268 490 K CA 0.167 56.486 56.287 0.053 0.000 1.228 490 K CB 0.174 32.705 32.500 0.052 0.000 1.715 490 K HN 0.097 nan 8.250 nan 0.000 0.334 491 K N 2.412 122.842 120.400 0.049 0.000 2.565 491 K HA 0.277 4.597 4.320 -0.000 0.000 0.249 491 K C -2.265 174.362 176.600 0.046 0.000 0.958 491 K CA -1.227 55.087 56.287 0.044 0.000 0.806 491 K CB 1.790 34.322 32.500 0.053 0.000 1.194 491 K HN 0.106 nan 8.250 nan 0.000 0.434 492 P HA 0.000 nan 4.420 nan 0.000 0.216 492 P CA 0.000 63.120 63.100 0.033 0.000 0.800 492 P CB 0.000 31.715 31.700 0.025 0.000 0.726