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 1zd5_1_A DATA FIRST_RESID 2 DATA SEQUENCE TLRAAVFDLD GVLALPAVFG VLGRTEEALA LPRGLLNDAF QKGGPEGATT DATA SEQUENCE RLMKGEITLS QWIPLMEENC RKCSETAKVC LPKNFSIKEI FDKAISARKI DATA SEQUENCE NRPMLQAALM LRKKGFTTAI LTNTWLDDRA ERDGLAQLMC ELKMHFDFLI DATA SEQUENCE ESCQVGMVKP EPQIYKFLLD TLKASPSEVV FLDDIGANLK PARDLGMVTI DATA SEQUENCE LVQDTDTALK ELEKVTGIQL TPAPLPTSCN PSDMSHGYVT VKPRVRLHFV DATA SEQUENCE ELGSGPAVCL CHGFPESWYS WRYQIPALAQ AGYRVLAMDM KGYGESSAPP DATA SEQUENCE EIEEYCMEVL CKEMVTFLDK LGLSQAVFIG HDWGGMLVWY MALFYPERVR DATA SEQUENCE AVASLNTPFI PANPNMSPLE SIKANPVFDY QLYFQEPGVA EAELEQNLSR DATA SEQUENCE TFKSLFRASD ESXVLSMHKV CEAGGLFVNS PEEPSLSRMV TEEEIQFYVQ DATA SEQUENCE QFKKSGFRGP LNWYRNMERN WKWACKSLGR KILIPALMVT AEKDFVLVPQ DATA SEQUENCE MSQHMEDWIP HLKRGHIEDC GHWTQMDKPT EVNQILIKWL DSDARN 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.678 174.700 -0.037 0.000 1.109 2 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 2 T CB 0.000 68.868 68.868 -0.001 0.000 0.612 3 L N 2.054 123.274 121.223 -0.004 0.000 2.483 3 L HA 0.498 4.839 4.340 0.001 0.000 0.275 3 L C 1.439 178.092 176.870 -0.363 0.000 1.220 3 L CA 0.277 55.092 54.840 -0.041 0.000 0.833 3 L CB 0.403 42.562 42.059 0.167 0.000 1.102 3 L HN 0.207 nan 8.230 nan 0.000 0.490 4 R N 0.993 121.193 120.500 -0.499 0.000 2.504 4 R HA 0.386 4.727 4.340 0.001 0.000 0.341 4 R C -0.971 174.973 176.300 -0.592 0.000 0.905 4 R CA 0.095 55.689 56.100 -0.843 0.000 1.133 4 R CB 0.977 31.043 30.300 -0.390 0.000 1.704 4 R HN 0.715 nan 8.270 nan 0.000 0.503 5 A N 0.452 123.159 122.820 -0.187 0.000 2.459 5 A HA 0.799 5.120 4.320 0.001 0.000 0.296 5 A C -1.495 176.296 177.584 0.345 0.000 1.039 5 A CA -0.403 51.727 52.037 0.156 0.000 0.698 5 A CB 1.740 20.799 19.000 0.099 0.000 1.261 5 A HN 0.170 nan 8.150 nan 0.000 0.405 6 A N 1.580 124.658 122.820 0.430 0.000 2.330 6 A HA 0.713 5.034 4.320 0.001 0.000 0.313 6 A C -0.937 176.812 177.584 0.275 0.000 1.124 6 A CA -0.475 51.726 52.037 0.273 0.000 0.774 6 A CB 1.139 20.329 19.000 0.317 0.000 1.198 6 A HN 1.347 nan 8.150 nan 0.000 0.465 7 V N 2.878 122.848 119.914 0.093 0.000 2.409 7 V HA 0.536 4.656 4.120 0.001 0.000 0.291 7 V C -1.132 174.991 176.094 0.047 0.000 1.020 7 V CA -0.302 62.162 62.300 0.272 0.000 0.848 7 V CB 0.871 32.921 31.823 0.378 0.000 0.990 7 V HN 0.705 nan 8.190 nan 0.000 0.430 8 F N 1.943 122.021 119.950 0.214 0.000 2.469 8 F HA 0.510 5.038 4.527 0.001 0.000 0.332 8 F C 0.356 176.157 175.800 0.001 0.000 1.103 8 F CA -0.993 57.050 58.000 0.072 0.000 0.979 8 F CB 1.315 40.370 39.000 0.093 0.000 1.137 8 F HN 0.481 nan 8.300 nan 0.000 0.463 9 D N 1.616 122.060 120.400 0.072 0.000 2.339 9 D HA 0.174 4.815 4.640 0.001 0.000 0.245 9 D C 0.515 176.835 176.300 0.032 0.000 1.115 9 D CA -0.137 53.879 54.000 0.026 0.000 0.917 9 D CB 1.190 41.946 40.800 -0.074 0.000 1.192 9 D HN 0.450 nan 8.370 nan 0.000 0.428 10 L N 2.629 123.848 121.223 -0.007 0.000 2.046 10 L HA 0.203 4.544 4.340 0.001 0.000 0.203 10 L C 0.250 177.111 176.870 -0.016 0.000 1.111 10 L CA 0.937 55.751 54.840 -0.043 0.000 0.769 10 L CB -0.687 41.315 42.059 -0.095 0.000 0.914 10 L HN 0.519 nan 8.230 nan 0.000 0.448 11 D N -0.194 120.200 120.400 -0.010 0.000 2.368 11 D HA 0.376 5.016 4.640 0.001 0.000 0.268 11 D C 0.875 177.210 176.300 0.059 0.000 1.298 11 D CA 1.407 55.427 54.000 0.033 0.000 0.938 11 D CB -0.132 40.712 40.800 0.072 0.000 1.101 11 D HN 0.713 nan 8.370 nan 0.000 0.509 12 G N 1.661 110.487 108.800 0.044 0.000 2.184 12 G HA2 -0.229 3.731 3.960 0.001 0.000 0.206 12 G HA3 -0.229 3.731 3.960 0.001 0.000 0.206 12 G C 0.749 175.668 174.900 0.032 0.000 0.995 12 G CA 0.148 45.274 45.100 0.043 0.000 0.651 12 G HN 0.506 nan 8.290 nan 0.000 0.511 13 V N -0.564 119.372 119.914 0.036 0.000 3.177 13 V HA 0.405 4.526 4.120 0.001 0.000 0.219 13 V C 2.006 178.146 176.094 0.076 0.000 1.344 13 V CA 1.189 63.527 62.300 0.064 0.000 1.324 13 V CB 0.221 32.089 31.823 0.075 0.000 1.165 13 V HN 0.173 nan 8.190 nan 0.000 0.510 14 L N 0.130 121.380 121.223 0.044 0.000 2.664 14 L HA 0.632 4.973 4.340 0.001 0.000 0.233 14 L C 0.594 177.461 176.870 -0.004 0.000 1.113 14 L CA 0.516 55.361 54.840 0.009 0.000 0.896 14 L CB 0.731 42.761 42.059 -0.048 0.000 1.163 14 L HN 0.317 nan 8.230 nan 0.000 0.497 15 A N 0.801 123.621 122.820 -0.001 0.000 2.374 15 A HA 0.831 5.152 4.320 0.001 0.000 0.305 15 A C -1.055 176.533 177.584 0.006 0.000 1.053 15 A CA -0.292 51.743 52.037 -0.003 0.000 0.726 15 A CB 1.399 20.390 19.000 -0.015 0.000 1.229 15 A HN 0.066 nan 8.150 nan 0.000 0.431 16 L N 1.782 123.006 121.223 0.003 0.000 2.465 16 L HA 0.484 4.825 4.340 0.001 0.000 0.257 16 L C -2.776 174.090 176.870 -0.006 0.000 0.988 16 L CA -2.189 52.650 54.840 -0.001 0.000 0.827 16 L CB 3.053 45.111 42.059 -0.001 0.000 1.397 16 L HN 0.402 nan 8.230 nan 0.000 0.410 17 P HA 0.127 nan 4.420 nan 0.000 0.275 17 P C -0.738 176.546 177.300 -0.026 0.000 1.227 17 P CA -0.337 62.746 63.100 -0.028 0.000 0.781 17 P CB 0.787 32.460 31.700 -0.044 0.000 0.906 18 A N 3.785 126.591 122.820 -0.023 0.000 2.540 18 A HA 0.095 4.416 4.320 0.001 0.000 0.264 18 A C 0.558 178.130 177.584 -0.020 0.000 1.080 18 A CA 0.097 52.140 52.037 0.010 0.000 0.776 18 A CB -0.973 18.045 19.000 0.030 0.000 1.011 18 A HN 0.407 nan 8.150 nan 0.000 0.514 19 V N 3.690 123.618 119.914 0.023 0.000 3.332 19 V HA 0.093 4.213 4.120 0.001 0.000 0.305 19 V C 1.307 177.409 176.094 0.013 0.000 1.114 19 V CA 1.657 63.933 62.300 -0.039 0.000 1.194 19 V CB -0.383 31.486 31.823 0.078 0.000 1.027 19 V HN 1.801 nan 8.190 nan 0.000 0.492 20 F N 0.852 120.557 119.950 -0.409 0.000 2.549 20 F HA -0.267 4.260 4.527 0.001 0.000 0.616 20 F C 1.388 177.013 175.800 -0.291 0.000 0.500 20 F CA 2.013 59.731 58.000 -0.471 0.000 0.948 20 F CB -1.739 37.055 39.000 -0.344 0.000 1.754 20 F HN 0.631 nan 8.300 nan 0.000 0.260 21 G N 0.526 108.947 108.800 -0.633 0.000 2.848 21 G HA2 0.220 4.181 3.960 0.001 0.000 0.208 21 G HA3 0.220 4.181 3.960 0.001 0.000 0.208 21 G C 1.226 175.897 174.900 -0.381 0.000 1.152 21 G CA 0.824 45.556 45.100 -0.613 0.000 0.789 21 G HN 0.730 nan 8.290 nan 0.000 0.531 22 V N 0.105 119.810 119.914 -0.348 0.000 2.878 22 V HA 0.127 4.247 4.120 0.001 0.000 0.250 22 V C 2.637 178.620 176.094 -0.186 0.000 1.075 22 V CA 0.697 62.853 62.300 -0.240 0.000 1.096 22 V CB -0.132 31.532 31.823 -0.265 0.000 0.724 22 V HN 0.381 nan 8.190 nan 0.000 0.467 23 L N 0.657 121.748 121.223 -0.220 0.000 1.990 23 L HA -0.149 4.192 4.340 0.001 0.000 0.213 23 L C 2.679 179.507 176.870 -0.069 0.000 1.072 23 L CA 2.145 56.934 54.840 -0.085 0.000 0.755 23 L CB -1.395 40.623 42.059 -0.069 0.000 0.889 23 L HN 0.471 nan 8.230 nan 0.000 0.432 24 G N -0.496 108.220 108.800 -0.140 0.000 2.469 24 G HA2 -0.266 3.695 3.960 0.001 0.000 0.220 24 G HA3 -0.266 3.695 3.960 0.001 0.000 0.220 24 G C 1.750 176.611 174.900 -0.064 0.000 1.136 24 G CA 0.804 45.846 45.100 -0.097 0.000 0.759 24 G HN 0.329 nan 8.290 nan 0.000 0.562 25 R N -0.515 119.939 120.500 -0.077 0.000 2.073 25 R HA 0.020 4.361 4.340 0.001 0.000 0.229 25 R C 2.814 179.104 176.300 -0.015 0.000 1.120 25 R CA 1.425 57.496 56.100 -0.049 0.000 0.967 25 R CB -0.598 29.665 30.300 -0.062 0.000 0.862 25 R HN 0.230 nan 8.270 nan 0.000 0.436 26 T N 1.115 115.670 114.554 0.001 0.000 2.849 26 T HA -0.134 4.217 4.350 0.001 0.000 0.270 26 T C 1.328 176.062 174.700 0.058 0.000 1.066 26 T CA 1.348 63.481 62.100 0.055 0.000 1.130 26 T CB -0.076 68.862 68.868 0.116 0.000 0.864 26 T HN 0.399 nan 8.240 nan 0.000 0.481 27 E N 1.014 121.232 120.200 0.030 0.000 2.021 27 E HA -0.043 4.308 4.350 0.001 0.000 0.189 27 E C 2.357 178.959 176.600 0.004 0.000 0.980 27 E CA 0.704 57.113 56.400 0.016 0.000 0.803 27 E CB -0.068 29.638 29.700 0.010 0.000 0.766 27 E HN 0.527 nan 8.360 nan 0.000 0.449 28 E N 0.790 120.989 120.200 -0.003 0.000 2.204 28 E HA -0.176 4.175 4.350 0.001 0.000 0.195 28 E C 1.966 178.565 176.600 -0.001 0.000 0.990 28 E CA 0.787 57.184 56.400 -0.006 0.000 0.821 28 E CB -0.047 29.646 29.700 -0.012 0.000 0.750 28 E HN 0.202 nan 8.360 nan 0.000 0.477 29 A N 1.218 124.041 122.820 0.005 0.000 1.855 29 A HA -0.042 4.278 4.320 0.001 0.000 0.213 29 A C 2.007 179.601 177.584 0.016 0.000 1.195 29 A CA 0.630 52.673 52.037 0.011 0.000 0.610 29 A CB -0.371 18.639 19.000 0.016 0.000 0.837 29 A HN 0.126 nan 8.150 nan 0.000 0.444 30 L N -0.558 120.680 121.223 0.025 0.000 2.645 30 L HA 0.169 4.510 4.340 0.001 0.000 0.235 30 L C 1.415 178.283 176.870 -0.002 0.000 1.150 30 L CA 0.369 55.222 54.840 0.021 0.000 0.911 30 L CB -0.620 41.462 42.059 0.037 0.000 1.077 30 L HN 0.579 nan 8.230 nan 0.000 0.438 31 A N 0.215 123.033 122.820 -0.003 0.000 2.783 31 A HA -0.220 4.101 4.320 0.001 0.000 0.292 31 A C 0.377 177.949 177.584 -0.020 0.000 1.495 31 A CA 0.694 52.725 52.037 -0.010 0.000 0.787 31 A CB -2.263 16.731 19.000 -0.009 0.000 1.017 31 A HN 0.395 nan 8.150 nan 0.000 0.516 32 L N -0.911 120.297 121.223 -0.024 0.000 2.421 32 L HA 0.442 4.783 4.340 0.001 0.000 0.263 32 L C -1.786 175.070 176.870 -0.024 0.000 1.122 32 L CA -2.372 52.444 54.840 -0.039 0.000 0.804 32 L CB 0.368 42.392 42.059 -0.059 0.000 1.150 32 L HN 0.064 nan 8.230 nan 0.000 0.457 33 P HA 0.038 nan 4.420 nan 0.000 0.264 33 P C -0.845 176.453 177.300 -0.002 0.000 1.193 33 P CA 0.003 63.095 63.100 -0.012 0.000 0.763 33 P CB 0.302 31.994 31.700 -0.014 0.000 0.810 34 R N 2.725 123.227 120.500 0.002 0.000 2.523 34 R HA 0.150 4.491 4.340 0.001 0.000 0.281 34 R C 1.590 177.902 176.300 0.021 0.000 0.969 34 R CA 1.262 57.367 56.100 0.008 0.000 1.093 34 R CB -0.592 29.712 30.300 0.007 0.000 0.917 34 R HN 0.884 nan 8.270 nan 0.000 0.408 35 G N 2.214 111.031 108.800 0.029 0.000 2.234 35 G HA2 -0.312 3.649 3.960 0.001 0.000 0.260 35 G HA3 -0.312 3.649 3.960 0.001 0.000 0.260 35 G C 0.774 175.716 174.900 0.070 0.000 0.987 35 G CA 0.204 45.336 45.100 0.054 0.000 0.625 35 G HN 0.552 nan 8.290 nan 0.000 0.532 36 L N 0.715 121.967 121.223 0.047 0.000 2.010 36 L HA -0.089 4.251 4.340 0.001 0.000 0.219 36 L C 2.761 179.683 176.870 0.085 0.000 1.077 36 L CA 2.988 57.855 54.840 0.045 0.000 0.773 36 L CB -0.938 41.123 42.059 0.003 0.000 0.892 36 L HN 0.521 nan 8.230 nan 0.000 0.436 37 L N -0.279 121.007 121.223 0.105 0.000 2.275 37 L HA -0.188 4.152 4.340 0.001 0.000 0.215 37 L C 2.199 179.221 176.870 0.253 0.000 1.119 37 L CA 1.215 56.165 54.840 0.183 0.000 0.790 37 L CB -0.565 41.611 42.059 0.195 0.000 0.919 37 L HN 0.431 nan 8.230 nan 0.000 0.443 38 N N -0.007 118.822 118.700 0.215 0.000 2.250 38 N HA -0.169 4.571 4.740 0.001 0.000 0.181 38 N C 1.451 177.153 175.510 0.320 0.000 1.017 38 N CA 1.106 54.338 53.050 0.303 0.000 0.866 38 N CB 0.120 38.743 38.487 0.228 0.000 0.985 38 N HN 0.168 nan 8.380 nan 0.000 0.429 39 D N -0.155 120.372 120.400 0.211 0.000 2.183 39 D HA -0.027 4.613 4.640 0.001 0.000 0.203 39 D C 1.621 178.022 176.300 0.168 0.000 0.969 39 D CA 0.975 55.075 54.000 0.167 0.000 0.842 39 D CB -0.233 40.632 40.800 0.107 0.000 0.957 39 D HN 0.435 nan 8.370 nan 0.000 0.484 40 A N 0.504 123.437 122.820 0.189 0.000 1.929 40 A HA -0.104 4.217 4.320 0.001 0.000 0.216 40 A C 1.901 179.625 177.584 0.233 0.000 1.176 40 A CA 0.449 52.582 52.037 0.160 0.000 0.628 40 A CB -0.820 18.266 19.000 0.143 0.000 0.816 40 A HN 0.198 nan 8.150 nan 0.000 0.444 41 F N 0.646 120.723 119.950 0.210 0.000 2.451 41 F HA -0.059 4.469 4.527 0.001 0.000 0.299 41 F C 1.662 177.622 175.800 0.268 0.000 1.101 41 F CA 1.564 59.760 58.000 0.326 0.000 1.436 41 F CB 0.100 39.357 39.000 0.428 0.000 1.074 41 F HN 0.338 nan 8.300 nan 0.000 0.553 42 Q N -0.133 119.780 119.800 0.189 0.000 2.112 42 Q HA 0.076 4.417 4.340 0.001 0.000 0.222 42 Q C -0.009 176.025 176.000 0.056 0.000 0.798 42 Q CA -0.363 55.481 55.803 0.068 0.000 1.060 42 Q CB 0.589 29.415 28.738 0.147 0.000 1.184 42 Q HN 0.024 nan 8.270 nan 0.000 0.475 43 K N 1.054 121.490 120.400 0.059 0.000 2.366 43 K HA 0.102 4.423 4.320 0.001 0.000 0.279 43 K C 0.922 177.531 176.600 0.016 0.000 1.098 43 K CA 1.527 57.836 56.287 0.037 0.000 1.087 43 K CB -0.437 32.077 32.500 0.024 0.000 0.901 43 K HN 0.320 nan 8.250 nan 0.000 0.463 44 G N 2.474 111.285 108.800 0.018 0.000 2.218 44 G HA2 -0.168 3.792 3.960 0.001 0.000 0.216 44 G HA3 -0.168 3.792 3.960 0.001 0.000 0.216 44 G C 0.912 175.817 174.900 0.009 0.000 0.994 44 G CA -0.049 45.057 45.100 0.010 0.000 0.637 44 G HN 1.401 nan 8.290 nan 0.000 0.505 45 G N 0.867 109.674 108.800 0.012 0.000 2.614 45 G HA2 -0.166 3.795 3.960 0.001 0.000 0.303 45 G HA3 -0.166 3.795 3.960 0.001 0.000 0.303 45 G C -0.495 174.404 174.900 -0.001 0.000 1.270 45 G CA 1.234 46.340 45.100 0.009 0.000 0.988 45 G HN 0.828 nan 8.290 nan 0.000 0.551 46 P HA -0.097 nan 4.420 nan 0.000 0.218 46 P C 1.601 178.898 177.300 -0.005 0.000 1.154 46 P CA 2.256 65.355 63.100 -0.003 0.000 0.872 46 P CB -0.092 31.609 31.700 0.003 0.000 0.790 47 E N -0.798 119.401 120.200 -0.001 0.000 2.478 47 E HA 0.106 4.457 4.350 0.001 0.000 0.194 47 E C 1.259 177.859 176.600 0.000 0.000 1.045 47 E CA 0.215 56.615 56.400 -0.001 0.000 0.868 47 E CB -0.821 28.879 29.700 -0.000 0.000 0.885 47 E HN 0.125 nan 8.360 nan 0.000 0.505 48 G N 1.167 109.967 108.800 -0.001 0.000 2.491 48 G HA2 0.223 4.184 3.960 0.001 0.000 0.242 48 G HA3 0.223 4.184 3.960 0.001 0.000 0.242 48 G C 1.126 176.039 174.900 0.022 0.000 1.266 48 G CA 0.137 45.239 45.100 0.003 0.000 0.844 48 G HN 0.154 nan 8.290 nan 0.000 0.571 49 A N 1.656 124.501 122.820 0.041 0.000 1.948 49 A HA -0.121 4.199 4.320 0.001 0.000 0.220 49 A C 2.508 180.243 177.584 0.251 0.000 1.177 49 A CA 2.557 54.663 52.037 0.115 0.000 0.636 49 A CB -0.877 18.143 19.000 0.034 0.000 0.815 49 A HN 0.627 nan 8.150 nan 0.000 0.449 50 T N -0.564 114.123 114.554 0.223 0.000 2.788 50 T HA -0.106 4.245 4.350 0.001 0.000 0.268 50 T C 1.944 176.558 174.700 -0.144 0.000 1.044 50 T CA 1.880 63.976 62.100 -0.007 0.000 1.139 50 T CB -0.454 68.212 68.868 -0.337 0.000 0.867 50 T HN 0.563 nan 8.240 nan 0.000 0.454 51 T N 1.663 116.173 114.554 -0.074 0.000 2.904 51 T HA 0.003 4.354 4.350 0.001 0.000 0.267 51 T C 2.153 176.829 174.700 -0.041 0.000 1.059 51 T CA 0.732 62.794 62.100 -0.064 0.000 1.137 51 T CB -0.067 68.778 68.868 -0.039 0.000 0.879 51 T HN 0.369 nan 8.240 nan 0.000 0.467 52 R N 0.653 121.146 120.500 -0.010 0.000 2.075 52 R HA 0.078 4.418 4.340 0.001 0.000 0.232 52 R C 2.451 178.748 176.300 -0.005 0.000 1.126 52 R CA 0.785 56.886 56.100 0.002 0.000 0.963 52 R CB -0.570 29.747 30.300 0.028 0.000 0.858 52 R HN 0.256 nan 8.270 nan 0.000 0.435 53 L N 0.534 121.747 121.223 -0.016 0.000 2.046 53 L HA -0.147 4.194 4.340 0.001 0.000 0.208 53 L C 1.942 178.783 176.870 -0.049 0.000 1.077 53 L CA 1.784 56.585 54.840 -0.066 0.000 0.747 53 L CB -0.273 41.597 42.059 -0.315 0.000 0.896 53 L HN 0.214 nan 8.230 nan 0.000 0.432 54 M N -0.040 119.514 119.600 -0.075 0.000 2.394 54 M HA -0.117 4.364 4.480 0.001 0.000 0.264 54 M C 1.944 178.219 176.300 -0.042 0.000 1.073 54 M CA 1.490 56.767 55.300 -0.039 0.000 1.111 54 M CB -0.243 32.321 32.600 -0.061 0.000 1.401 54 M HN 0.108 nan 8.290 nan 0.000 0.448 55 K N -1.501 118.874 120.400 -0.042 0.000 2.379 55 K HA 0.299 4.620 4.320 0.001 0.000 0.194 55 K C 0.981 177.555 176.600 -0.042 0.000 1.031 55 K CA 0.683 56.940 56.287 -0.051 0.000 1.037 55 K CB 0.244 32.716 32.500 -0.047 0.000 0.824 55 K HN 0.463 nan 8.250 nan 0.000 0.516 56 G N 1.756 110.544 108.800 -0.020 0.000 2.159 56 G HA2 -0.265 3.696 3.960 0.001 0.000 0.227 56 G HA3 -0.265 3.696 3.960 0.001 0.000 0.227 56 G C 0.560 175.459 174.900 -0.002 0.000 0.986 56 G CA 0.339 45.434 45.100 -0.009 0.000 0.651 56 G HN 0.384 nan 8.290 nan 0.000 0.523 57 E N -0.274 119.925 120.200 -0.002 0.000 2.072 57 E HA 0.118 4.468 4.350 0.001 0.000 0.191 57 E C 1.551 178.161 176.600 0.016 0.000 0.985 57 E CA 1.274 57.676 56.400 0.003 0.000 0.801 57 E CB 0.076 29.777 29.700 0.002 0.000 0.750 57 E HN 0.888 nan 8.360 nan 0.000 0.452 58 I N -1.552 119.035 120.570 0.029 0.000 2.785 58 I HA 0.369 4.539 4.170 0.001 0.000 0.302 58 I C 0.201 176.352 176.117 0.057 0.000 1.069 58 I CA -1.239 60.088 61.300 0.045 0.000 1.045 58 I CB 2.019 40.058 38.000 0.065 0.000 1.236 58 I HN -0.211 nan 8.210 nan 0.000 0.429 59 T N 1.068 115.658 114.554 0.060 0.000 2.816 59 T HA 0.230 4.581 4.350 0.001 0.000 0.282 59 T C 0.867 175.612 174.700 0.075 0.000 0.993 59 T CA -0.536 61.608 62.100 0.072 0.000 0.994 59 T CB 1.402 70.307 68.868 0.062 0.000 1.025 59 T HN 0.707 nan 8.240 nan 0.000 0.529 60 L N 1.271 122.527 121.223 0.054 0.000 2.046 60 L HA -0.011 4.330 4.340 0.001 0.000 0.208 60 L C 2.734 179.629 176.870 0.042 0.000 1.077 60 L CA 1.905 56.716 54.840 -0.048 0.000 0.747 60 L CB -1.147 40.795 42.059 -0.195 0.000 0.896 60 L HN 0.848 nan 8.230 nan 0.000 0.432 61 S N -0.950 114.771 115.700 0.035 0.000 2.419 61 S HA -0.193 4.278 4.470 0.001 0.000 0.233 61 S C 1.808 176.421 174.600 0.022 0.000 1.016 61 S CA 1.225 59.438 58.200 0.022 0.000 0.974 61 S CB -0.235 62.976 63.200 0.018 0.000 0.786 61 S HN 0.595 nan 8.310 nan 0.000 0.492 62 Q N -0.948 118.881 119.800 0.048 0.000 2.163 62 Q HA -0.053 4.287 4.340 0.001 0.000 0.198 62 Q C 1.838 177.866 176.000 0.046 0.000 0.954 62 Q CA 0.900 56.724 55.803 0.035 0.000 0.851 62 Q CB -0.147 28.617 28.738 0.044 0.000 0.928 62 Q HN 0.715 nan 8.270 nan 0.000 0.459 63 W N 1.669 122.897 121.300 -0.121 0.000 2.379 63 W HA -0.144 4.516 4.660 0.001 0.000 0.307 63 W C 1.577 177.985 176.519 -0.185 0.000 1.200 63 W CA 1.221 58.473 57.345 -0.155 0.000 1.297 63 W CB -0.251 29.090 29.460 -0.198 0.000 1.140 63 W HN -0.029 nan 8.180 nan 0.000 0.507 64 I N 1.303 121.803 120.570 -0.116 0.000 2.121 64 I HA -0.370 3.801 4.170 0.001 0.000 0.243 64 I C -0.541 175.316 176.117 -0.432 0.000 1.047 64 I CA 2.120 63.193 61.300 -0.379 0.000 1.308 64 I CB -2.101 35.799 38.000 -0.168 0.000 1.015 64 I HN -0.011 nan 8.210 nan 0.000 0.410 65 P HA -0.157 nan 4.420 nan 0.000 0.215 65 P C 1.786 178.923 177.300 -0.272 0.000 1.153 65 P CA 1.273 64.243 63.100 -0.216 0.000 0.853 65 P CB 0.030 31.649 31.700 -0.134 0.000 0.788 66 L N -1.923 119.096 121.223 -0.339 0.000 2.083 66 L HA -0.124 4.217 4.340 0.001 0.000 0.209 66 L C 2.442 179.037 176.870 -0.459 0.000 1.083 66 L CA 1.867 56.501 54.840 -0.344 0.000 0.752 66 L CB -1.438 40.436 42.059 -0.308 0.000 0.899 66 L HN 0.006 nan 8.230 nan 0.000 0.433 67 M N -0.631 118.485 119.600 -0.807 0.000 2.254 67 M HA -0.135 4.346 4.480 0.001 0.000 0.265 67 M C 2.067 178.154 176.300 -0.355 0.000 1.066 67 M CA 1.541 56.387 55.300 -0.757 0.000 1.123 67 M CB -0.269 31.455 32.600 -1.461 0.000 1.388 67 M HN 0.210 nan 8.290 nan 0.000 0.425 68 E N -0.348 119.664 120.200 -0.312 0.000 2.077 68 E HA -0.239 4.112 4.350 0.001 0.000 0.193 68 E C 1.897 178.461 176.600 -0.060 0.000 0.989 68 E CA 1.387 57.720 56.400 -0.111 0.000 0.800 68 E CB -0.127 29.505 29.700 -0.114 0.000 0.746 68 E HN 0.546 nan 8.360 nan 0.000 0.452 69 E N 1.140 121.273 120.200 -0.112 0.000 2.110 69 E HA -0.176 4.174 4.350 0.001 0.000 0.193 69 E C 1.191 177.756 176.600 -0.059 0.000 0.988 69 E CA 1.590 57.944 56.400 -0.077 0.000 0.804 69 E CB -0.211 29.434 29.700 -0.092 0.000 0.745 69 E HN 0.291 nan 8.360 nan 0.000 0.458 70 N N -1.215 117.438 118.700 -0.080 0.000 2.459 70 N HA -0.090 4.651 4.740 0.001 0.000 0.181 70 N C 0.865 176.374 175.510 -0.002 0.000 1.046 70 N CA 0.710 53.736 53.050 -0.041 0.000 0.904 70 N CB -0.046 38.410 38.487 -0.051 0.000 0.964 70 N HN 0.204 nan 8.380 nan 0.000 0.444 71 C N 0.129 119.437 119.300 0.014 0.000 2.697 71 C HA 0.243 4.703 4.460 0.001 0.000 0.267 71 C C 2.069 177.048 174.990 -0.019 0.000 1.278 71 C CA -0.175 58.864 59.018 0.036 0.000 1.708 71 C CB -0.988 26.853 27.740 0.169 0.000 1.860 71 C HN 0.391 nan 8.230 nan 0.000 0.589 72 R N -0.012 120.479 120.500 -0.015 0.000 2.221 72 R HA 0.098 4.438 4.340 0.001 0.000 0.195 72 R C 1.945 178.229 176.300 -0.026 0.000 0.956 72 R CA 0.390 56.474 56.100 -0.026 0.000 1.064 72 R CB 0.040 30.329 30.300 -0.017 0.000 1.049 72 R HN 0.182 nan 8.270 nan 0.000 0.534 73 K N 0.134 120.521 120.400 -0.020 0.000 2.314 73 K HA 0.086 4.406 4.320 0.001 0.000 0.198 73 K C 1.712 178.306 176.600 -0.010 0.000 1.045 73 K CA 0.596 56.874 56.287 -0.016 0.000 0.988 73 K CB -0.021 32.470 32.500 -0.015 0.000 0.783 73 K HN 0.139 nan 8.250 nan 0.000 0.484 74 C N 1.336 120.632 119.300 -0.006 0.000 2.464 74 C HA -0.002 4.458 4.460 0.001 0.000 0.278 74 C C 2.720 177.704 174.990 -0.011 0.000 1.375 74 C CA 1.199 60.219 59.018 0.002 0.000 1.761 74 C CB -0.558 27.195 27.740 0.022 0.000 1.944 74 C HN 0.557 nan 8.230 nan 0.000 0.509 75 S N -0.104 115.577 115.700 -0.030 0.000 2.486 75 S HA -0.047 4.424 4.470 0.001 0.000 0.220 75 S C 1.539 176.117 174.600 -0.036 0.000 1.011 75 S CA 0.681 58.854 58.200 -0.046 0.000 0.921 75 S CB -0.536 62.614 63.200 -0.083 0.000 0.785 75 S HN 0.706 nan 8.310 nan 0.000 0.517 76 E N 0.984 121.167 120.200 -0.028 0.000 2.265 76 E HA -0.124 4.227 4.350 0.001 0.000 0.196 76 E C 1.777 178.367 176.600 -0.017 0.000 0.996 76 E CA 1.308 57.695 56.400 -0.023 0.000 0.832 76 E CB -0.118 29.571 29.700 -0.019 0.000 0.756 76 E HN 0.620 nan 8.360 nan 0.000 0.491 77 T N -1.463 113.083 114.554 -0.013 0.000 3.031 77 T HA 0.204 4.555 4.350 0.001 0.000 0.254 77 T C 0.947 175.642 174.700 -0.008 0.000 1.060 77 T CA 0.588 62.684 62.100 -0.008 0.000 1.135 77 T CB 0.140 69.007 68.868 -0.002 0.000 0.896 77 T HN 0.132 nan 8.240 nan 0.000 0.472 78 A N 1.276 124.089 122.820 -0.011 0.000 3.258 78 A HA 0.540 4.860 4.320 0.001 0.000 0.275 78 A C 1.023 178.597 177.584 -0.016 0.000 1.452 78 A CA -0.106 51.924 52.037 -0.011 0.000 1.120 78 A CB -0.720 18.274 19.000 -0.011 0.000 1.107 78 A HN 0.632 nan 8.150 nan 0.000 0.651 79 K N -1.481 118.909 120.400 -0.015 0.000 11.017 79 K HA -0.259 4.062 4.320 0.001 0.000 0.514 79 K C 0.480 177.065 176.600 -0.025 0.000 0.416 79 K CA 1.999 58.275 56.287 -0.017 0.000 1.853 79 K CB -2.190 30.301 32.500 -0.015 0.000 0.797 79 K HN 0.715 nan 8.250 nan 0.000 1.242 80 V N 0.996 120.892 119.914 -0.030 0.000 3.129 80 V HA -0.314 3.807 4.120 0.001 0.000 0.240 80 V C 0.745 176.806 176.094 -0.055 0.000 1.932 80 V CA 1.137 63.411 62.300 -0.043 0.000 1.750 80 V CB -0.804 30.988 31.823 -0.051 0.000 0.873 80 V HN 0.519 nan 8.190 nan 0.000 0.471 81 C N 4.939 124.201 119.300 -0.063 0.000 2.771 81 C HA 0.842 5.303 4.460 0.001 0.000 0.333 81 C C 0.213 175.136 174.990 -0.112 0.000 1.267 81 C CA -0.784 58.190 59.018 -0.074 0.000 1.721 81 C CB 1.512 29.223 27.740 -0.050 0.000 2.222 81 C HN 0.844 nan 8.230 nan 0.000 0.485 82 L N 1.361 122.505 121.223 -0.131 0.000 2.334 82 L HA 0.516 4.856 4.340 0.001 0.000 0.270 82 L C -2.145 174.670 176.870 -0.091 0.000 1.018 82 L CA -1.368 53.353 54.840 -0.198 0.000 0.811 82 L CB 0.101 41.960 42.059 -0.334 0.000 1.271 82 L HN 0.451 nan 8.230 nan 0.000 0.443 83 P HA 0.064 nan 4.420 nan 0.000 0.269 83 P C 0.101 177.441 177.300 0.066 0.000 1.215 83 P CA -0.467 62.647 63.100 0.024 0.000 0.780 83 P CB 0.485 32.225 31.700 0.066 0.000 0.898 84 K N 0.994 121.423 120.400 0.049 0.000 2.211 84 K HA -0.126 4.195 4.320 0.001 0.000 0.204 84 K C 0.274 176.915 176.600 0.069 0.000 1.047 84 K CA 1.353 57.669 56.287 0.049 0.000 0.935 84 K CB -0.244 32.274 32.500 0.030 0.000 0.728 84 K HN 0.226 nan 8.250 nan 0.000 0.452 85 N N 0.537 119.289 118.700 0.087 0.000 2.699 85 N HA 0.128 4.869 4.740 0.001 0.000 0.317 85 N C -1.624 173.968 175.510 0.137 0.000 1.661 85 N CA -0.358 52.742 53.050 0.084 0.000 0.979 85 N CB 0.255 38.774 38.487 0.053 0.000 1.329 85 N HN 0.087 nan 8.380 nan 0.000 0.497 86 F N 1.388 121.338 119.950 0.001 0.000 2.404 86 F HA 0.436 4.964 4.527 0.001 0.000 0.345 86 F C 0.192 175.993 175.800 0.002 0.000 1.110 86 F CA -0.730 57.272 58.000 0.004 0.000 1.130 86 F CB 1.191 40.191 39.000 0.001 0.000 1.129 86 F HN -0.125 nan 8.300 nan 0.000 0.500 87 S N 7.366 122.672 115.700 -0.656 0.000 2.720 87 S HA 0.400 4.871 4.470 0.001 0.000 0.278 87 S C 0.614 174.874 174.600 -0.568 0.000 1.172 87 S CA -0.834 57.074 58.200 -0.486 0.000 1.019 87 S CB 0.397 63.473 63.200 -0.207 0.000 1.049 87 S HN 0.562 nan 8.310 nan 0.000 0.483 88 I N 4.544 124.811 120.570 -0.505 0.000 2.315 88 I HA -0.077 4.094 4.170 0.001 0.000 0.248 88 I C 2.440 178.495 176.117 -0.104 0.000 1.117 88 I CA 1.277 62.395 61.300 -0.304 0.000 1.404 88 I CB -0.766 37.044 38.000 -0.317 0.000 1.071 88 I HN 0.729 nan 8.210 nan 0.000 0.419 89 K N 0.663 120.990 120.400 -0.120 0.000 2.026 89 K HA -0.204 4.116 4.320 0.001 0.000 0.208 89 K C 2.069 178.681 176.600 0.019 0.000 1.048 89 K CA 1.178 57.446 56.287 -0.031 0.000 0.929 89 K CB 0.060 32.531 32.500 -0.048 0.000 0.713 89 K HN 0.096 nan 8.250 nan 0.000 0.439 90 E N 0.890 121.065 120.200 -0.041 0.000 2.058 90 E HA -0.195 4.155 4.350 0.001 0.000 0.194 90 E C 1.990 178.595 176.600 0.008 0.000 0.997 90 E CA 1.051 57.435 56.400 -0.027 0.000 0.801 90 E CB -0.071 29.587 29.700 -0.070 0.000 0.746 90 E HN 0.296 nan 8.360 nan 0.000 0.450 91 I N 0.026 120.604 120.570 0.013 0.000 2.252 91 I HA -0.216 3.955 4.170 0.001 0.000 0.245 91 I C 2.310 178.486 176.117 0.099 0.000 1.102 91 I CA 1.026 62.361 61.300 0.058 0.000 1.385 91 I CB -1.293 36.762 38.000 0.091 0.000 1.064 91 I HN 0.021 nan 8.210 nan 0.000 0.414 92 F N 1.552 121.488 119.950 -0.024 0.000 2.163 92 F HA -0.120 4.408 4.527 0.001 0.000 0.297 92 F C 2.418 178.226 175.800 0.012 0.000 1.094 92 F CA 1.083 59.083 58.000 0.000 0.000 1.290 92 F CB -0.648 38.351 39.000 -0.003 0.000 1.017 92 F HN 0.115 nan 8.300 nan 0.000 0.483 93 D N 0.201 120.707 120.400 0.176 0.000 2.133 93 D HA -0.211 4.430 4.640 0.001 0.000 0.195 93 D C 2.188 178.527 176.300 0.065 0.000 0.997 93 D CA 1.312 55.376 54.000 0.107 0.000 0.840 93 D CB -0.316 40.526 40.800 0.070 0.000 0.947 93 D HN 0.238 nan 8.370 nan 0.000 0.452 94 K N 0.370 120.792 120.400 0.038 0.000 2.057 94 K HA -0.068 4.253 4.320 0.001 0.000 0.206 94 K C 2.085 178.677 176.600 -0.013 0.000 1.050 94 K CA 1.080 57.372 56.287 0.009 0.000 0.935 94 K CB 0.004 32.503 32.500 -0.002 0.000 0.715 94 K HN 0.012 nan 8.250 nan 0.000 0.439 95 A N 1.214 124.003 122.820 -0.052 0.000 1.858 95 A HA -0.153 4.168 4.320 0.001 0.000 0.216 95 A C 2.061 179.625 177.584 -0.034 0.000 1.190 95 A CA 1.413 53.388 52.037 -0.103 0.000 0.617 95 A CB -0.606 18.225 19.000 -0.283 0.000 0.827 95 A HN 0.260 nan 8.150 nan 0.000 0.443 96 I N 0.770 121.357 120.570 0.028 0.000 2.163 96 I HA -0.275 3.895 4.170 0.001 0.000 0.243 96 I C 2.884 179.043 176.117 0.071 0.000 1.085 96 I CA 1.793 63.158 61.300 0.109 0.000 1.347 96 I CB -0.356 37.774 38.000 0.217 0.000 1.044 96 I HN 0.516 nan 8.210 nan 0.000 0.408 97 S N 1.133 116.866 115.700 0.055 0.000 2.423 97 S HA -0.050 4.421 4.470 0.001 0.000 0.231 97 S C 2.140 176.752 174.600 0.020 0.000 1.014 97 S CA 0.721 58.944 58.200 0.038 0.000 0.965 97 S CB -0.410 62.810 63.200 0.033 0.000 0.785 97 S HN 0.404 nan 8.310 nan 0.000 0.495 98 A N 1.847 124.673 122.820 0.010 0.000 1.968 98 A HA 0.140 4.461 4.320 0.001 0.000 0.217 98 A C 1.502 179.085 177.584 -0.001 0.000 1.169 98 A CA 0.310 52.346 52.037 -0.002 0.000 0.638 98 A CB -0.533 18.457 19.000 -0.016 0.000 0.812 98 A HN 0.548 nan 8.150 nan 0.000 0.446 99 R N 0.169 120.672 120.500 0.005 0.000 2.522 99 R HA 0.254 4.594 4.340 0.001 0.000 0.284 99 R C -0.899 175.406 176.300 0.008 0.000 1.032 99 R CA 0.432 56.536 56.100 0.006 0.000 1.049 99 R CB 0.206 30.517 30.300 0.018 0.000 0.956 99 R HN 0.166 nan 8.270 nan 0.000 0.422 100 K N 3.236 123.639 120.400 0.004 0.000 2.444 100 K HA 0.405 4.726 4.320 0.001 0.000 0.252 100 K C -0.705 175.898 176.600 0.005 0.000 0.993 100 K CA -0.689 55.601 56.287 0.006 0.000 0.847 100 K CB 1.513 34.017 32.500 0.006 0.000 1.340 100 K HN 0.461 nan 8.250 nan 0.000 0.446 101 I N 2.316 122.892 120.570 0.009 0.000 2.587 101 I HA -0.034 4.136 4.170 0.001 0.000 0.284 101 I C 0.198 176.318 176.117 0.005 0.000 1.134 101 I CA -0.011 61.294 61.300 0.009 0.000 1.410 101 I CB 0.229 38.242 38.000 0.023 0.000 1.392 101 I HN 0.490 nan 8.210 nan 0.000 0.545 102 N N 6.957 125.659 118.700 0.003 0.000 2.466 102 N HA 0.030 4.770 4.740 0.001 0.000 0.263 102 N C 1.168 176.674 175.510 -0.006 0.000 1.178 102 N CA -0.103 52.949 53.050 0.002 0.000 0.983 102 N CB 0.414 38.907 38.487 0.010 0.000 1.331 102 N HN 0.331 nan 8.380 nan 0.000 0.500 103 R N 3.560 124.054 120.500 -0.010 0.000 2.113 103 R HA -0.137 4.204 4.340 0.001 0.000 0.244 103 R C -0.844 175.435 176.300 -0.035 0.000 1.142 103 R CA 1.592 57.678 56.100 -0.023 0.000 0.953 103 R CB -1.860 28.429 30.300 -0.018 0.000 0.860 103 R HN 0.609 nan 8.270 nan 0.000 0.438 104 P HA -0.159 nan 4.420 nan 0.000 0.216 104 P C 1.417 178.703 177.300 -0.024 0.000 1.150 104 P CA 1.185 64.272 63.100 -0.022 0.000 0.837 104 P CB -0.094 31.601 31.700 -0.008 0.000 0.786 105 M N -0.458 119.135 119.600 -0.011 0.000 2.099 105 M HA -0.039 4.442 4.480 0.001 0.000 0.262 105 M C 2.267 178.504 176.300 -0.105 0.000 1.067 105 M CA 1.435 56.734 55.300 -0.002 0.000 1.124 105 M CB -1.491 31.134 32.600 0.041 0.000 1.353 105 M HN -0.210 nan 8.290 nan 0.000 0.410 106 L N -0.276 120.887 121.223 -0.100 0.000 2.042 106 L HA -0.294 4.047 4.340 0.001 0.000 0.210 106 L C 2.329 179.068 176.870 -0.218 0.000 1.076 106 L CA 1.475 56.229 54.840 -0.144 0.000 0.749 106 L CB -0.484 41.520 42.059 -0.092 0.000 0.893 106 L HN 0.371 nan 8.230 nan 0.000 0.432 107 Q N -0.412 119.295 119.800 -0.155 0.000 2.084 107 Q HA -0.190 4.151 4.340 0.001 0.000 0.202 107 Q C 2.264 178.178 176.000 -0.144 0.000 0.978 107 Q CA 1.765 57.479 55.803 -0.149 0.000 0.844 107 Q CB -0.518 28.163 28.738 -0.096 0.000 0.898 107 Q HN 0.626 nan 8.270 nan 0.000 0.426 108 A N 1.125 123.881 122.820 -0.107 0.000 1.877 108 A HA -0.112 4.208 4.320 0.001 0.000 0.216 108 A C 2.355 179.872 177.584 -0.112 0.000 1.186 108 A CA 2.103 54.102 52.037 -0.065 0.000 0.620 108 A CB -0.802 18.218 19.000 0.033 0.000 0.822 108 A HN 0.371 nan 8.150 nan 0.000 0.443 109 A N -0.494 122.165 122.820 -0.268 0.000 1.851 109 A HA -0.090 4.231 4.320 0.001 0.000 0.216 109 A C 2.037 179.391 177.584 -0.384 0.000 1.195 109 A CA 1.882 53.637 52.037 -0.471 0.000 0.622 109 A CB -0.725 17.746 19.000 -0.881 0.000 0.831 109 A HN 0.407 nan 8.150 nan 0.000 0.444 110 L N -1.493 119.495 121.223 -0.392 0.000 2.012 110 L HA -0.204 4.137 4.340 0.001 0.000 0.210 110 L C 2.594 179.348 176.870 -0.193 0.000 1.073 110 L CA 2.504 57.154 54.840 -0.317 0.000 0.748 110 L CB -0.996 40.876 42.059 -0.313 0.000 0.891 110 L HN 0.553 nan 8.230 nan 0.000 0.431 111 M N -0.802 118.702 119.600 -0.160 0.000 2.065 111 M HA -0.226 4.254 4.480 0.001 0.000 0.259 111 M C 2.238 178.468 176.300 -0.117 0.000 1.071 111 M CA 1.853 57.084 55.300 -0.115 0.000 1.109 111 M CB -0.795 31.743 32.600 -0.104 0.000 1.313 111 M HN 0.162 nan 8.290 nan 0.000 0.408 112 L N -0.771 120.352 121.223 -0.168 0.000 2.051 112 L HA -0.287 4.054 4.340 0.001 0.000 0.214 112 L C 2.745 179.591 176.870 -0.040 0.000 1.076 112 L CA 1.853 56.535 54.840 -0.262 0.000 0.758 112 L CB -0.723 41.112 42.059 -0.374 0.000 0.890 112 L HN 0.396 nan 8.230 nan 0.000 0.433 113 R N 0.132 120.611 120.500 -0.036 0.000 2.075 113 R HA -0.175 4.165 4.340 0.001 0.000 0.232 113 R C 2.191 178.505 176.300 0.023 0.000 1.126 113 R CA 1.254 57.363 56.100 0.014 0.000 0.963 113 R CB 0.063 30.307 30.300 -0.093 0.000 0.858 113 R HN 0.066 nan 8.270 nan 0.000 0.435 114 K N 0.536 120.927 120.400 -0.016 0.000 2.280 114 K HA -0.075 4.246 4.320 0.001 0.000 0.202 114 K C 0.828 177.447 176.600 0.032 0.000 1.047 114 K CA 1.263 57.549 56.287 -0.001 0.000 0.942 114 K CB 0.188 32.674 32.500 -0.023 0.000 0.739 114 K HN 0.094 nan 8.250 nan 0.000 0.457 115 K N -0.969 119.467 120.400 0.061 0.000 2.699 115 K HA 0.227 4.548 4.320 0.001 0.000 0.210 115 K C 0.307 177.026 176.600 0.199 0.000 1.076 115 K CA 0.364 56.714 56.287 0.105 0.000 1.109 115 K CB 0.906 33.456 32.500 0.082 0.000 0.862 115 K HN 0.241 nan 8.250 nan 0.000 0.470 116 G N 0.667 109.572 108.800 0.176 0.000 2.232 116 G HA2 -0.256 3.704 3.960 0.001 0.000 0.226 116 G HA3 -0.256 3.704 3.960 0.001 0.000 0.226 116 G C 0.000 175.009 174.900 0.182 0.000 0.996 116 G CA -0.581 44.613 45.100 0.156 0.000 0.626 116 G HN 0.197 nan 8.290 nan 0.000 0.509 117 F N 2.184 122.152 119.950 0.030 0.000 2.496 117 F HA 0.511 5.039 4.527 0.001 0.000 0.344 117 F C 1.236 177.069 175.800 0.057 0.000 1.155 117 F CA 0.639 58.670 58.000 0.052 0.000 1.302 117 F CB 1.003 40.047 39.000 0.073 0.000 1.159 117 F HN -0.088 nan 8.300 nan 0.000 0.595 118 T N 1.778 116.463 114.554 0.219 0.000 2.781 118 T HA 0.334 4.685 4.350 0.001 0.000 0.305 118 T C 0.090 174.966 174.700 0.294 0.000 1.001 118 T CA -0.734 61.481 62.100 0.193 0.000 0.950 118 T CB 0.106 69.075 68.868 0.169 0.000 0.955 118 T HN 0.667 nan 8.240 nan 0.000 0.471 119 T N 0.626 115.348 114.554 0.280 0.000 2.934 119 T HA 0.850 5.200 4.350 0.001 0.000 0.283 119 T C -0.292 174.722 174.700 0.523 0.000 1.005 119 T CA -0.917 61.433 62.100 0.417 0.000 1.041 119 T CB 1.627 70.639 68.868 0.240 0.000 1.042 119 T HN 0.706 nan 8.240 nan 0.000 0.505 120 A N 1.685 124.916 122.820 0.685 0.000 2.594 120 A HA 0.642 4.962 4.320 0.001 0.000 0.296 120 A C -1.082 176.753 177.584 0.418 0.000 1.061 120 A CA -1.040 51.330 52.037 0.555 0.000 0.689 120 A CB 1.061 20.338 19.000 0.462 0.000 1.280 120 A HN 0.899 nan 8.150 nan 0.000 0.406 121 I N 1.813 122.476 120.570 0.154 0.000 2.321 121 I HA 0.393 4.564 4.170 0.001 0.000 0.291 121 I C -0.809 175.355 176.117 0.079 0.000 0.998 121 I CA -0.636 60.663 61.300 -0.002 0.000 1.227 121 I CB 1.516 39.351 38.000 -0.275 0.000 1.368 121 I HN 0.516 nan 8.210 nan 0.000 0.466 122 L N 7.126 128.433 121.223 0.140 0.000 2.295 122 L HA 0.582 4.922 4.340 0.001 0.000 0.281 122 L C -0.316 176.606 176.870 0.086 0.000 1.018 122 L CA 0.365 55.271 54.840 0.110 0.000 0.841 122 L CB 1.392 43.534 42.059 0.139 0.000 1.218 122 L HN 0.615 nan 8.230 nan 0.000 0.424 123 T N 2.956 117.512 114.554 0.003 0.000 2.903 123 T HA 0.514 4.865 4.350 0.001 0.000 0.299 123 T C -0.849 173.809 174.700 -0.070 0.000 1.093 123 T CA -0.679 61.403 62.100 -0.030 0.000 1.002 123 T CB 1.105 69.925 68.868 -0.081 0.000 1.127 123 T HN 0.523 nan 8.240 nan 0.000 0.488 124 N N 2.375 121.037 118.700 -0.064 0.000 2.462 124 N HA 0.486 5.227 4.740 0.001 0.000 0.242 124 N C -0.450 174.987 175.510 -0.123 0.000 1.010 124 N CA -0.083 52.925 53.050 -0.071 0.000 0.939 124 N CB 1.494 39.963 38.487 -0.029 0.000 1.127 124 N HN 0.624 nan 8.380 nan 0.000 0.509 125 T N 0.521 114.963 114.554 -0.187 0.000 2.742 125 T HA 0.776 5.126 4.350 0.001 0.000 0.282 125 T C -1.597 172.975 174.700 -0.213 0.000 1.025 125 T CA -0.671 61.185 62.100 -0.406 0.000 1.020 125 T CB 0.456 68.990 68.868 -0.557 0.000 1.317 125 T HN 0.469 nan 8.240 nan 0.000 0.538 126 W N 0.632 121.886 121.300 -0.076 0.000 2.902 126 W HA 0.756 5.417 4.660 0.001 0.000 0.346 126 W C -1.818 174.668 176.519 -0.055 0.000 1.139 126 W CA -1.414 55.874 57.345 -0.094 0.000 1.139 126 W CB 0.251 29.623 29.460 -0.146 0.000 1.439 126 W HN 0.507 nan 8.180 nan 0.000 0.558 127 L N 3.083 124.442 121.223 0.228 0.000 2.385 127 L HA 0.109 4.450 4.340 0.001 0.000 0.281 127 L C 0.154 177.204 176.870 0.299 0.000 1.106 127 L CA 0.069 55.003 54.840 0.157 0.000 0.856 127 L CB 0.039 42.154 42.059 0.093 0.000 1.186 127 L HN 0.417 nan 8.230 nan 0.000 0.453 128 D N 3.885 124.468 120.400 0.305 0.000 2.380 128 D HA 0.050 4.690 4.640 0.001 0.000 0.230 128 D C 0.011 176.415 176.300 0.173 0.000 1.154 128 D CA -0.256 53.953 54.000 0.348 0.000 0.859 128 D CB 1.098 42.133 40.800 0.392 0.000 1.045 128 D HN 0.528 nan 8.370 nan 0.000 0.495 129 D N 2.397 122.874 120.400 0.129 0.000 2.501 129 D HA 0.054 4.695 4.640 0.001 0.000 0.226 129 D C 0.432 176.770 176.300 0.064 0.000 1.198 129 D CA -0.414 53.634 54.000 0.080 0.000 0.830 129 D CB 0.044 40.879 40.800 0.060 0.000 1.014 129 D HN 0.170 nan 8.370 nan 0.000 0.496 130 R N -0.007 120.540 120.500 0.079 0.000 2.774 130 R HA 0.461 4.802 4.340 0.001 0.000 0.269 130 R C 1.334 177.665 176.300 0.051 0.000 1.068 130 R CA 0.267 56.403 56.100 0.060 0.000 1.180 130 R CB 0.504 30.849 30.300 0.075 0.000 1.077 130 R HN 0.100 nan 8.270 nan 0.000 0.513 131 A N 1.510 124.352 122.820 0.037 0.000 2.168 131 A HA -0.101 4.219 4.320 0.001 0.000 0.215 131 A C 0.874 178.478 177.584 0.033 0.000 1.152 131 A CA 1.172 53.226 52.037 0.029 0.000 0.716 131 A CB -0.083 18.929 19.000 0.019 0.000 0.794 131 A HN 0.707 nan 8.150 nan 0.000 0.465 132 E N -0.508 119.720 120.200 0.046 0.000 2.501 132 E HA 0.037 4.388 4.350 0.001 0.000 0.201 132 E C 1.636 178.275 176.600 0.065 0.000 1.016 132 E CA 0.227 56.656 56.400 0.049 0.000 0.920 132 E CB -0.101 29.631 29.700 0.053 0.000 1.023 132 E HN 0.761 nan 8.360 nan 0.000 0.474 133 R N 0.844 121.390 120.500 0.076 0.000 2.153 133 R HA -0.269 4.071 4.340 0.001 0.000 0.252 133 R C 1.317 177.657 176.300 0.066 0.000 1.158 133 R CA 1.961 58.117 56.100 0.094 0.000 0.975 133 R CB -0.647 29.707 30.300 0.090 0.000 0.871 133 R HN 0.078 nan 8.270 nan 0.000 0.450 134 D N 0.485 120.910 120.400 0.043 0.000 2.239 134 D HA -0.135 4.506 4.640 0.001 0.000 0.202 134 D C 1.952 178.267 176.300 0.025 0.000 0.993 134 D CA 1.864 55.880 54.000 0.025 0.000 0.874 134 D CB -0.381 40.427 40.800 0.013 0.000 0.922 134 D HN 0.461 nan 8.370 nan 0.000 0.464 135 G N 0.355 109.177 108.800 0.037 0.000 2.511 135 G HA2 -0.257 3.704 3.960 0.001 0.000 0.216 135 G HA3 -0.257 3.704 3.960 0.001 0.000 0.216 135 G C 1.707 176.628 174.900 0.035 0.000 1.218 135 G CA 0.696 45.817 45.100 0.036 0.000 0.788 135 G HN 0.375 nan 8.290 nan 0.000 0.560 136 L N 0.662 121.918 121.223 0.055 0.000 2.013 136 L HA -0.154 4.187 4.340 0.001 0.000 0.212 136 L C 3.446 180.317 176.870 0.002 0.000 1.073 136 L CA 1.351 56.211 54.840 0.033 0.000 0.753 136 L CB -0.410 41.684 42.059 0.058 0.000 0.890 136 L HN 0.347 nan 8.230 nan 0.000 0.432 137 A N -0.397 122.429 122.820 0.010 0.000 1.869 137 A HA -0.355 3.966 4.320 0.001 0.000 0.218 137 A C 2.063 179.642 177.584 -0.008 0.000 1.203 137 A CA 2.314 54.349 52.037 -0.003 0.000 0.638 137 A CB -0.787 18.216 19.000 0.005 0.000 0.831 137 A HN 0.589 nan 8.150 nan 0.000 0.450 138 Q N -0.899 118.900 119.800 -0.003 0.000 2.096 138 Q HA -0.160 4.181 4.340 0.001 0.000 0.204 138 Q C 2.193 178.192 176.000 -0.002 0.000 0.982 138 Q CA 1.586 57.386 55.803 -0.005 0.000 0.850 138 Q CB -0.383 28.352 28.738 -0.003 0.000 0.901 138 Q HN 0.719 nan 8.270 nan 0.000 0.422 139 L N -0.427 120.795 121.223 -0.001 0.000 2.083 139 L HA -0.185 4.156 4.340 0.001 0.000 0.209 139 L C 2.183 179.046 176.870 -0.010 0.000 1.083 139 L CA 0.914 55.754 54.840 -0.000 0.000 0.752 139 L CB 0.025 42.082 42.059 -0.003 0.000 0.899 139 L HN 0.285 nan 8.230 nan 0.000 0.433 140 M N -1.160 118.425 119.600 -0.026 0.000 2.200 140 M HA -0.182 4.299 4.480 0.001 0.000 0.265 140 M C 2.386 178.672 176.300 -0.024 0.000 1.066 140 M CA 1.447 56.723 55.300 -0.039 0.000 1.127 140 M CB -0.896 31.671 32.600 -0.055 0.000 1.379 140 M HN 0.505 nan 8.290 nan 0.000 0.420 141 C N 0.201 119.489 119.300 -0.019 0.000 2.413 141 C HA -0.215 4.245 4.460 0.001 0.000 0.276 141 C C 2.720 177.693 174.990 -0.029 0.000 1.236 141 C CA 1.899 60.903 59.018 -0.022 0.000 1.735 141 C CB -1.050 26.679 27.740 -0.019 0.000 2.031 141 C HN 0.715 nan 8.230 nan 0.000 0.474 142 E N -0.122 120.072 120.200 -0.010 0.000 2.051 142 E HA -0.176 4.175 4.350 0.001 0.000 0.192 142 E C 2.177 178.791 176.600 0.023 0.000 0.991 142 E CA 1.490 57.889 56.400 -0.001 0.000 0.799 142 E CB -0.342 29.390 29.700 0.052 0.000 0.748 142 E HN 0.723 nan 8.360 nan 0.000 0.449 143 L N 0.740 122.013 121.223 0.084 0.000 1.994 143 L HA -0.193 4.147 4.340 0.001 0.000 0.208 143 L C 2.840 179.822 176.870 0.186 0.000 1.071 143 L CA 1.656 56.606 54.840 0.183 0.000 0.745 143 L CB -0.564 41.520 42.059 0.040 0.000 0.892 143 L HN 0.174 nan 8.230 nan 0.000 0.431 144 K N 0.558 120.993 120.400 0.058 0.000 2.066 144 K HA -0.307 4.014 4.320 0.001 0.000 0.221 144 K C 2.156 178.805 176.600 0.081 0.000 1.056 144 K CA 2.821 59.144 56.287 0.060 0.000 0.950 144 K CB -0.322 32.182 32.500 0.006 0.000 0.726 144 K HN 0.354 nan 8.250 nan 0.000 0.456 145 M N -0.994 118.575 119.600 -0.052 0.000 2.426 145 M HA -0.163 4.318 4.480 0.001 0.000 0.261 145 M C 0.877 177.102 176.300 -0.124 0.000 1.068 145 M CA 1.662 56.883 55.300 -0.132 0.000 1.066 145 M CB -0.405 32.045 32.600 -0.250 0.000 1.399 145 M HN 0.150 nan 8.290 nan 0.000 0.449 146 H N -0.413 118.727 119.070 0.118 0.000 2.553 146 H HA 0.317 4.873 4.556 0.001 0.000 0.265 146 H C -0.615 174.566 175.328 -0.244 0.000 0.964 146 H CA 0.249 56.277 56.048 -0.033 0.000 1.156 146 H CB 0.050 29.790 29.762 -0.037 0.000 1.411 146 H HN 0.349 nan 8.280 nan 0.000 0.558 147 F N 0.384 120.369 119.950 0.058 0.000 2.532 147 F HA 0.223 4.751 4.527 0.001 0.000 0.321 147 F C 1.278 177.052 175.800 -0.044 0.000 1.089 147 F CA -1.344 56.678 58.000 0.037 0.000 0.926 147 F CB 1.581 40.627 39.000 0.077 0.000 1.168 147 F HN -0.146 nan 8.300 nan 0.000 0.459 148 D N 1.537 121.950 120.400 0.022 0.000 2.182 148 D HA -0.138 4.503 4.640 0.001 0.000 0.201 148 D C -0.124 175.820 176.300 -0.594 0.000 0.986 148 D CA 1.909 55.709 54.000 -0.333 0.000 0.847 148 D CB 0.117 40.654 40.800 -0.438 0.000 0.942 148 D HN 0.118 nan 8.370 nan 0.000 0.467 149 F N -0.576 119.486 119.950 0.187 0.000 2.599 149 F HA 0.408 4.936 4.527 0.001 0.000 0.311 149 F C -0.586 175.292 175.800 0.130 0.000 1.076 149 F CA -1.157 56.922 58.000 0.133 0.000 0.937 149 F CB 1.903 40.961 39.000 0.097 0.000 1.282 149 F HN -0.339 nan 8.300 nan 0.000 0.460 150 L N 4.265 125.668 121.223 0.300 0.000 2.442 150 L HA 0.599 4.940 4.340 0.001 0.000 0.261 150 L C -1.430 175.520 176.870 0.133 0.000 1.000 150 L CA -0.210 54.715 54.840 0.142 0.000 0.882 150 L CB 0.732 42.832 42.059 0.069 0.000 1.207 150 L HN 0.498 nan 8.230 nan 0.000 0.443 151 I N 4.023 124.664 120.570 0.119 0.000 2.291 151 I HA 0.305 4.476 4.170 0.001 0.000 0.290 151 I C 0.038 176.167 176.117 0.021 0.000 1.050 151 I CA -0.239 61.129 61.300 0.112 0.000 1.245 151 I CB 0.823 38.916 38.000 0.156 0.000 1.405 151 I HN 0.567 nan 8.210 nan 0.000 0.478 152 E N 3.945 124.136 120.200 -0.015 0.000 2.134 152 E HA 0.146 4.497 4.350 0.001 0.000 0.278 152 E C 0.964 177.502 176.600 -0.103 0.000 0.959 152 E CA -0.250 56.106 56.400 -0.073 0.000 0.783 152 E CB 1.552 31.202 29.700 -0.084 0.000 1.095 152 E HN 0.729 nan 8.360 nan 0.000 0.399 153 S N 1.973 117.604 115.700 -0.115 0.000 2.359 153 S HA -0.258 4.212 4.470 0.001 0.000 0.223 153 S C 2.154 176.684 174.600 -0.117 0.000 1.039 153 S CA 1.614 59.738 58.200 -0.127 0.000 1.042 153 S CB -0.900 62.236 63.200 -0.106 0.000 0.915 153 S HN 0.827 nan 8.310 nan 0.000 0.439 154 C N -0.048 119.195 119.300 -0.094 0.000 2.430 154 C HA 0.158 4.618 4.460 0.001 0.000 0.288 154 C C 2.453 177.401 174.990 -0.069 0.000 1.448 154 C CA 0.693 59.671 59.018 -0.066 0.000 1.784 154 C CB -1.643 26.073 27.740 -0.040 0.000 1.776 154 C HN 0.485 nan 8.230 nan 0.000 0.547 155 Q N 1.057 120.803 119.800 -0.089 0.000 2.394 155 Q HA 0.139 4.480 4.340 0.001 0.000 0.218 155 Q C 2.245 178.170 176.000 -0.126 0.000 0.907 155 Q CA 1.653 57.407 55.803 -0.082 0.000 0.919 155 Q CB 0.185 28.887 28.738 -0.059 0.000 1.051 155 Q HN 0.727 nan 8.270 nan 0.000 0.538 156 V N -3.877 115.917 119.914 -0.200 0.000 3.506 156 V HA 0.424 4.545 4.120 0.001 0.000 0.263 156 V C 1.183 177.120 176.094 -0.262 0.000 1.203 156 V CA 0.707 62.808 62.300 -0.331 0.000 1.133 156 V CB -0.298 31.140 31.823 -0.643 0.000 0.802 156 V HN 0.287 nan 8.190 nan 0.000 0.459 157 G N 0.987 109.680 108.800 -0.178 0.000 2.198 157 G HA2 -0.301 3.660 3.960 0.001 0.000 0.260 157 G HA3 -0.301 3.660 3.960 0.001 0.000 0.260 157 G C 0.356 175.171 174.900 -0.142 0.000 1.025 157 G CA 0.955 45.977 45.100 -0.131 0.000 0.769 157 G HN 0.526 nan 8.290 nan 0.000 0.507 158 M N -0.277 119.215 119.600 -0.180 0.000 2.306 158 M HA 0.232 4.713 4.480 0.001 0.000 0.292 158 M C 1.560 177.786 176.300 -0.123 0.000 1.018 158 M CA 0.425 55.627 55.300 -0.163 0.000 1.007 158 M CB 0.767 33.225 32.600 -0.237 0.000 1.510 158 M HN 0.960 nan 8.290 nan 0.000 0.537 159 V N 2.890 122.737 119.914 -0.113 0.000 3.063 159 V HA -0.281 3.839 4.120 0.001 0.000 0.201 159 V C -0.426 175.625 176.094 -0.072 0.000 2.252 159 V CA 0.704 62.953 62.300 -0.085 0.000 1.978 159 V CB -0.489 31.300 31.823 -0.056 0.000 0.918 159 V HN 0.690 nan 8.190 nan 0.000 0.472 160 K N 3.076 123.441 120.400 -0.058 0.000 2.267 160 K HA 0.816 5.137 4.320 0.001 0.000 0.246 160 K C -2.398 174.267 176.600 0.109 0.000 0.954 160 K CA -1.834 54.450 56.287 -0.006 0.000 0.824 160 K CB 1.543 33.918 32.500 -0.207 0.000 1.167 160 K HN 0.316 nan 8.250 nan 0.000 0.431 161 P HA -0.181 nan 4.420 nan 0.000 0.235 161 P C -0.931 176.509 177.300 0.234 0.000 1.166 161 P CA 1.005 64.264 63.100 0.264 0.000 0.760 161 P CB -0.059 31.725 31.700 0.140 0.000 0.815 162 E N 0.713 121.041 120.200 0.214 0.000 2.338 162 E HA 0.036 4.387 4.350 0.001 0.000 0.272 162 E C -1.428 175.349 176.600 0.295 0.000 1.029 162 E CA -1.707 54.784 56.400 0.151 0.000 0.872 162 E CB 0.474 30.218 29.700 0.075 0.000 1.015 162 E HN 0.219 nan 8.360 nan 0.000 0.417 163 P HA -0.197 nan 4.420 nan 0.000 0.229 163 P C 1.188 178.651 177.300 0.272 0.000 1.160 163 P CA 1.051 64.294 63.100 0.238 0.000 0.777 163 P CB 0.254 31.974 31.700 0.034 0.000 0.814 164 Q N 0.081 119.972 119.800 0.152 0.000 2.050 164 Q HA -0.172 4.168 4.340 0.001 0.000 0.202 164 Q C 2.180 178.228 176.000 0.080 0.000 0.980 164 Q CA 1.149 57.007 55.803 0.091 0.000 0.840 164 Q CB -1.349 27.411 28.738 0.036 0.000 0.898 164 Q HN 0.122 nan 8.270 nan 0.000 0.424 165 I N 0.659 121.230 120.570 0.002 0.000 2.335 165 I HA -0.262 3.909 4.170 0.001 0.000 0.251 165 I C 1.543 177.578 176.117 -0.135 0.000 1.129 165 I CA 1.271 62.498 61.300 -0.122 0.000 1.402 165 I CB -0.248 37.579 38.000 -0.288 0.000 1.069 165 I HN 0.164 nan 8.210 nan 0.000 0.424 166 Y N 0.581 120.865 120.300 -0.027 0.000 2.200 166 Y HA -0.145 4.406 4.550 0.001 0.000 0.290 166 Y C 2.485 178.357 175.900 -0.046 0.000 1.137 166 Y CA 1.271 59.320 58.100 -0.084 0.000 1.163 166 Y CB -0.693 37.692 38.460 -0.125 0.000 0.988 166 Y HN -0.005 nan 8.280 nan 0.000 0.518 167 K N -0.147 120.340 120.400 0.144 0.000 2.032 167 K HA -0.204 4.116 4.320 0.001 0.000 0.209 167 K C 2.065 178.693 176.600 0.048 0.000 1.048 167 K CA 1.403 57.734 56.287 0.074 0.000 0.927 167 K CB -1.093 31.451 32.500 0.072 0.000 0.712 167 K HN 0.312 nan 8.250 nan 0.000 0.441 168 F N 2.106 122.017 119.950 -0.066 0.000 2.091 168 F HA -0.266 4.262 4.527 0.001 0.000 0.299 168 F C 2.154 177.876 175.800 -0.130 0.000 1.103 168 F CA 1.224 59.166 58.000 -0.097 0.000 1.228 168 F CB -0.493 38.441 39.000 -0.109 0.000 0.984 168 F HN -0.036 nan 8.300 nan 0.000 0.477 169 L N 0.551 121.728 121.223 -0.077 0.000 1.970 169 L HA -0.211 4.130 4.340 0.001 0.000 0.212 169 L C 2.252 178.983 176.870 -0.231 0.000 1.071 169 L CA 1.939 56.665 54.840 -0.190 0.000 0.751 169 L CB -1.188 40.796 42.059 -0.125 0.000 0.889 169 L HN 0.274 nan 8.230 nan 0.000 0.432 170 L N -0.396 120.748 121.223 -0.133 0.000 2.089 170 L HA -0.287 4.054 4.340 0.001 0.000 0.213 170 L C 2.319 179.089 176.870 -0.166 0.000 1.079 170 L CA 1.830 56.605 54.840 -0.110 0.000 0.758 170 L CB -0.722 41.304 42.059 -0.056 0.000 0.891 170 L HN 0.456 nan 8.230 nan 0.000 0.433 171 D N -0.968 119.296 120.400 -0.226 0.000 2.123 171 D HA -0.146 4.495 4.640 0.001 0.000 0.200 171 D C 2.017 178.086 176.300 -0.386 0.000 0.976 171 D CA 1.379 55.222 54.000 -0.262 0.000 0.831 171 D CB 0.188 40.837 40.800 -0.253 0.000 0.974 171 D HN 0.107 nan 8.370 nan 0.000 0.469 172 T N -0.006 114.179 114.554 -0.617 0.000 2.833 172 T HA -0.066 4.284 4.350 0.001 0.000 0.269 172 T C 1.835 176.111 174.700 -0.707 0.000 1.054 172 T CA 0.667 62.287 62.100 -0.799 0.000 1.135 172 T CB -0.121 68.122 68.868 -1.041 0.000 0.869 172 T HN 0.181 nan 8.240 nan 0.000 0.466 173 L N 0.045 121.021 121.223 -0.412 0.000 2.418 173 L HA 0.182 4.522 4.340 0.001 0.000 0.218 173 L C 0.836 177.671 176.870 -0.059 0.000 1.125 173 L CA 0.328 55.078 54.840 -0.150 0.000 0.835 173 L CB -0.292 41.736 42.059 -0.051 0.000 0.953 173 L HN 0.199 nan 8.230 nan 0.000 0.454 174 K N -0.106 120.228 120.400 -0.110 0.000 3.035 174 K HA -0.186 4.135 4.320 0.001 0.000 0.262 174 K C -0.168 176.410 176.600 -0.037 0.000 1.024 174 K CA 0.381 56.631 56.287 -0.062 0.000 0.748 174 K CB -1.429 31.055 32.500 -0.025 0.000 1.247 174 K HN 0.405 nan 8.250 nan 0.000 0.482 175 A N 0.444 123.237 122.820 -0.045 0.000 2.498 175 A HA 0.688 5.008 4.320 0.001 0.000 0.298 175 A C -0.010 177.554 177.584 -0.034 0.000 1.075 175 A CA -0.260 51.758 52.037 -0.032 0.000 0.714 175 A CB 1.418 20.406 19.000 -0.021 0.000 1.299 175 A HN 0.261 nan 8.150 nan 0.000 0.407 176 S N 1.569 117.252 115.700 -0.028 0.000 2.610 176 S HA 0.537 5.008 4.470 0.001 0.000 0.273 176 S C -2.039 172.551 174.600 -0.017 0.000 1.274 176 S CA -1.019 57.166 58.200 -0.024 0.000 1.023 176 S CB 0.998 64.186 63.200 -0.021 0.000 0.962 176 S HN 0.367 nan 8.310 nan 0.000 0.523 177 P HA -0.192 nan 4.420 nan 0.000 0.217 177 P C 1.735 179.037 177.300 0.002 0.000 1.162 177 P CA 1.795 64.891 63.100 -0.006 0.000 0.901 177 P CB -0.181 31.512 31.700 -0.012 0.000 0.793 178 S N -0.476 115.223 115.700 -0.003 0.000 2.441 178 S HA -0.211 4.260 4.470 0.001 0.000 0.242 178 S C 1.142 175.743 174.600 0.003 0.000 1.018 178 S CA 1.527 59.728 58.200 0.001 0.000 0.988 178 S CB -0.892 62.306 63.200 -0.004 0.000 0.778 178 S HN 0.410 nan 8.310 nan 0.000 0.498 179 E N -0.075 120.121 120.200 -0.006 0.000 2.736 179 E HA 0.380 4.731 4.350 0.001 0.000 0.208 179 E C -0.717 175.881 176.600 -0.002 0.000 0.996 179 E CA -0.442 55.947 56.400 -0.019 0.000 1.104 179 E CB 0.602 30.269 29.700 -0.055 0.000 1.111 179 E HN 0.234 nan 8.360 nan 0.000 0.455 180 V N 0.945 120.881 119.914 0.037 0.000 2.709 180 V HA 0.341 4.462 4.120 0.001 0.000 0.308 180 V C -0.269 175.891 176.094 0.110 0.000 1.062 180 V CA -1.002 61.343 62.300 0.075 0.000 0.901 180 V CB 2.071 33.929 31.823 0.059 0.000 1.003 180 V HN 0.168 nan 8.190 nan 0.000 0.425 181 V N 4.067 124.066 119.914 0.142 0.000 2.459 181 V HA 0.545 4.666 4.120 0.001 0.000 0.295 181 V C -0.849 175.336 176.094 0.151 0.000 1.029 181 V CA -0.575 61.797 62.300 0.120 0.000 0.874 181 V CB 1.645 33.520 31.823 0.085 0.000 0.985 181 V HN 0.688 nan 8.190 nan 0.000 0.438 182 F N 5.747 125.670 119.950 -0.045 0.000 2.445 182 F HA 0.643 5.171 4.527 0.001 0.000 0.348 182 F C -0.902 174.854 175.800 -0.074 0.000 1.125 182 F CA -1.279 56.691 58.000 -0.050 0.000 0.983 182 F CB 1.309 40.333 39.000 0.040 0.000 1.198 182 F HN 0.220 nan 8.300 nan 0.000 0.436 183 L N 5.816 126.685 121.223 -0.590 0.000 2.264 183 L HA 0.472 4.812 4.340 0.001 0.000 0.289 183 L C -0.518 175.939 176.870 -0.689 0.000 1.044 183 L CA -0.155 54.373 54.840 -0.520 0.000 0.807 183 L CB 1.024 42.852 42.059 -0.385 0.000 1.192 183 L HN 0.569 nan 8.230 nan 0.000 0.425 184 D N 1.548 121.650 120.400 -0.498 0.000 2.736 184 D HA 0.115 4.756 4.640 0.001 0.000 0.223 184 D C -0.235 175.983 176.300 -0.136 0.000 1.231 184 D CA -0.241 53.545 54.000 -0.357 0.000 0.818 184 D CB 2.716 43.243 40.800 -0.456 0.000 1.587 184 D HN 0.596 nan 8.370 nan 0.000 0.463 185 D N 1.661 122.034 120.400 -0.046 0.000 2.339 185 D HA 0.081 4.721 4.640 0.001 0.000 0.217 185 D C 0.600 176.933 176.300 0.054 0.000 1.050 185 D CA 0.105 54.113 54.000 0.012 0.000 0.856 185 D CB 0.601 41.425 40.800 0.040 0.000 0.922 185 D HN 0.296 nan 8.370 nan 0.000 0.518 186 I N 1.073 121.677 120.570 0.058 0.000 2.390 186 I HA 0.244 4.415 4.170 0.001 0.000 0.283 186 I C 1.643 177.813 176.117 0.089 0.000 1.016 186 I CA -0.818 60.541 61.300 0.098 0.000 1.151 186 I CB 1.979 40.052 38.000 0.122 0.000 1.293 186 I HN -0.102 nan 8.210 nan 0.000 0.458 187 G N 4.355 113.202 108.800 0.079 0.000 2.599 187 G HA2 -0.358 3.602 3.960 0.001 0.000 0.219 187 G HA3 -0.358 3.602 3.960 0.001 0.000 0.219 187 G C 1.676 176.629 174.900 0.089 0.000 1.193 187 G CA 1.224 46.367 45.100 0.072 0.000 0.778 187 G HN 0.721 nan 8.290 nan 0.000 0.589 188 A N 1.478 124.354 122.820 0.094 0.000 1.915 188 A HA -0.234 4.086 4.320 0.001 0.000 0.220 188 A C 2.171 179.833 177.584 0.129 0.000 1.198 188 A CA 2.271 54.364 52.037 0.094 0.000 0.647 188 A CB -0.657 18.399 19.000 0.094 0.000 0.825 188 A HN 0.418 nan 8.150 nan 0.000 0.456 189 N N -0.127 118.687 118.700 0.191 0.000 2.573 189 N HA -0.022 4.718 4.740 0.001 0.000 0.187 189 N C 1.297 177.057 175.510 0.416 0.000 1.107 189 N CA 0.915 54.168 53.050 0.338 0.000 0.918 189 N CB -0.371 38.338 38.487 0.370 0.000 0.966 189 N HN 0.605 nan 8.380 nan 0.000 0.448 190 L N -0.224 121.148 121.223 0.249 0.000 2.298 190 L HA 0.067 4.407 4.340 0.001 0.000 0.209 190 L C 2.261 179.179 176.870 0.080 0.000 1.084 190 L CA 0.359 55.338 54.840 0.232 0.000 0.816 190 L CB -0.233 41.909 42.059 0.138 0.000 0.967 190 L HN -0.048 nan 8.230 nan 0.000 0.460 191 K N 1.398 121.812 120.400 0.024 0.000 2.001 191 K HA -0.173 4.148 4.320 0.001 0.000 0.214 191 K C -0.643 175.867 176.600 -0.151 0.000 1.050 191 K CA 1.983 58.245 56.287 -0.040 0.000 0.934 191 K CB -1.306 31.180 32.500 -0.024 0.000 0.718 191 K HN 0.044 nan 8.250 nan 0.000 0.443 192 P HA -0.142 nan 4.420 nan 0.000 0.218 192 P C 0.719 177.619 177.300 -0.666 0.000 1.148 192 P CA 1.923 64.668 63.100 -0.592 0.000 0.822 192 P CB -0.097 30.972 31.700 -1.052 0.000 0.784 193 A N -0.442 122.038 122.820 -0.566 0.000 1.872 193 A HA -0.173 4.148 4.320 0.001 0.000 0.214 193 A C 2.398 179.915 177.584 -0.111 0.000 1.187 193 A CA 1.382 53.255 52.037 -0.274 0.000 0.614 193 A CB -1.127 17.874 19.000 0.001 0.000 0.826 193 A HN -0.014 nan 8.150 nan 0.000 0.442 194 R N -0.303 120.162 120.500 -0.058 0.000 2.083 194 R HA -0.163 4.178 4.340 0.001 0.000 0.237 194 R C 1.544 177.813 176.300 -0.052 0.000 1.137 194 R CA 1.767 57.852 56.100 -0.024 0.000 0.951 194 R CB -0.350 29.947 30.300 -0.005 0.000 0.851 194 R HN 0.494 nan 8.270 nan 0.000 0.434 195 D N 0.407 120.754 120.400 -0.088 0.000 2.158 195 D HA -0.185 4.455 4.640 0.001 0.000 0.197 195 D C 1.640 177.898 176.300 -0.071 0.000 0.995 195 D CA 0.843 54.795 54.000 -0.079 0.000 0.846 195 D CB -0.008 40.732 40.800 -0.100 0.000 0.941 195 D HN 0.197 nan 8.370 nan 0.000 0.456 196 L N -0.223 120.946 121.223 -0.090 0.000 2.551 196 L HA 0.043 4.383 4.340 0.001 0.000 0.228 196 L C 1.155 178.003 176.870 -0.036 0.000 1.153 196 L CA 1.032 55.836 54.840 -0.060 0.000 0.851 196 L CB -0.837 41.185 42.059 -0.062 0.000 0.959 196 L HN 0.170 nan 8.230 nan 0.000 0.451 197 G N 1.037 109.818 108.800 -0.031 0.000 2.270 197 G HA2 -0.222 3.738 3.960 0.001 0.000 0.224 197 G HA3 -0.222 3.738 3.960 0.001 0.000 0.224 197 G C 0.075 174.974 174.900 -0.002 0.000 1.079 197 G CA 0.371 45.462 45.100 -0.014 0.000 0.807 197 G HN 0.379 nan 8.290 nan 0.000 0.492 198 M N -1.347 118.256 119.600 0.005 0.000 2.530 198 M HA 0.806 5.286 4.480 0.001 0.000 0.307 198 M C 0.123 176.454 176.300 0.053 0.000 1.161 198 M CA -1.257 54.060 55.300 0.029 0.000 0.903 198 M CB 2.242 34.861 32.600 0.032 0.000 1.711 198 M HN -0.018 nan 8.290 nan 0.000 0.451 199 V N 2.689 122.641 119.914 0.063 0.000 2.617 199 V HA 0.204 4.325 4.120 0.001 0.000 0.304 199 V C 0.626 176.779 176.094 0.099 0.000 1.040 199 V CA 0.511 62.852 62.300 0.069 0.000 1.149 199 V CB 0.323 32.187 31.823 0.067 0.000 0.914 199 V HN 1.028 nan 8.190 nan 0.000 0.487 200 T N 3.439 118.043 114.554 0.084 0.000 2.893 200 T HA 0.800 5.150 4.350 0.001 0.000 0.291 200 T C -0.857 173.863 174.700 0.032 0.000 1.028 200 T CA -0.724 61.436 62.100 0.099 0.000 0.995 200 T CB 1.861 70.807 68.868 0.130 0.000 1.051 200 T HN 0.335 nan 8.240 nan 0.000 0.470 201 I N 2.498 123.057 120.570 -0.018 0.000 2.468 201 I HA 0.326 4.497 4.170 0.001 0.000 0.285 201 I C -0.598 175.482 176.117 -0.061 0.000 1.039 201 I CA -0.990 60.287 61.300 -0.038 0.000 1.074 201 I CB 2.074 40.040 38.000 -0.057 0.000 1.228 201 I HN 0.579 nan 8.210 nan 0.000 0.436 202 L N 7.757 128.964 121.223 -0.028 0.000 2.385 202 L HA 0.325 4.665 4.340 0.001 0.000 0.281 202 L C -0.543 176.312 176.870 -0.025 0.000 1.106 202 L CA -0.330 54.495 54.840 -0.024 0.000 0.856 202 L CB 0.683 42.742 42.059 0.001 0.000 1.186 202 L HN 0.337 nan 8.230 nan 0.000 0.453 203 V N 6.628 126.519 119.914 -0.038 0.000 2.368 203 V HA 0.179 4.299 4.120 0.001 0.000 0.266 203 V C 0.471 176.562 176.094 -0.004 0.000 1.045 203 V CA -0.053 62.234 62.300 -0.021 0.000 0.899 203 V CB 1.110 32.916 31.823 -0.028 0.000 1.006 203 V HN 0.907 nan 8.190 nan 0.000 0.470 204 Q N 2.301 122.102 119.800 0.002 0.000 2.527 204 Q HA 0.160 4.501 4.340 0.001 0.000 0.194 204 Q C 0.045 176.047 176.000 0.004 0.000 0.963 204 Q CA 0.147 55.953 55.803 0.005 0.000 0.861 204 Q CB 0.460 29.201 28.738 0.005 0.000 1.051 204 Q HN 0.905 nan 8.270 nan 0.000 0.605 205 D N 0.226 120.629 120.400 0.005 0.000 2.217 205 D HA 0.119 4.759 4.640 0.001 0.000 0.243 205 D C 0.247 176.553 176.300 0.010 0.000 1.054 205 D CA -0.142 53.861 54.000 0.005 0.000 0.838 205 D CB 1.944 42.746 40.800 0.003 0.000 1.162 205 D HN -0.058 nan 8.370 nan 0.000 0.472 206 T N 1.763 116.325 114.554 0.013 0.000 2.592 206 T HA -0.222 4.129 4.350 0.001 0.000 0.267 206 T C 1.080 175.791 174.700 0.019 0.000 1.060 206 T CA 1.759 63.871 62.100 0.021 0.000 1.167 206 T CB -0.205 68.675 68.868 0.019 0.000 0.863 206 T HN 0.530 nan 8.240 nan 0.000 0.431 207 D N 0.645 121.052 120.400 0.011 0.000 2.123 207 D HA -0.087 4.553 4.640 0.001 0.000 0.196 207 D C 2.327 178.632 176.300 0.009 0.000 0.992 207 D CA 1.457 55.462 54.000 0.009 0.000 0.833 207 D CB -0.560 40.242 40.800 0.005 0.000 0.954 207 D HN 0.381 nan 8.370 nan 0.000 0.455 208 T N 0.929 115.487 114.554 0.008 0.000 2.737 208 T HA -0.077 4.274 4.350 0.001 0.000 0.265 208 T C 2.081 176.785 174.700 0.007 0.000 1.038 208 T CA 1.429 63.533 62.100 0.006 0.000 1.144 208 T CB -0.257 68.614 68.868 0.005 0.000 0.866 208 T HN 0.198 nan 8.240 nan 0.000 0.434 209 A N 1.443 124.268 122.820 0.009 0.000 1.883 209 A HA -0.015 4.306 4.320 0.001 0.000 0.217 209 A C 2.309 179.902 177.584 0.015 0.000 1.186 209 A CA 1.267 53.308 52.037 0.008 0.000 0.624 209 A CB -0.928 18.079 19.000 0.011 0.000 0.822 209 A HN 0.475 nan 8.150 nan 0.000 0.444 210 L N -0.886 120.352 121.223 0.025 0.000 2.131 210 L HA -0.213 4.128 4.340 0.001 0.000 0.210 210 L C 2.581 179.458 176.870 0.012 0.000 1.092 210 L CA 1.641 56.497 54.840 0.027 0.000 0.759 210 L CB -0.488 41.587 42.059 0.026 0.000 0.903 210 L HN 0.406 nan 8.230 nan 0.000 0.435 211 K N 0.177 120.582 120.400 0.009 0.000 2.026 211 K HA -0.188 4.133 4.320 0.001 0.000 0.208 211 K C 1.997 178.600 176.600 0.006 0.000 1.048 211 K CA 1.548 57.839 56.287 0.005 0.000 0.929 211 K CB -0.115 32.388 32.500 0.005 0.000 0.713 211 K HN 0.375 nan 8.250 nan 0.000 0.439 212 E N 0.780 120.983 120.200 0.006 0.000 2.077 212 E HA -0.204 4.147 4.350 0.001 0.000 0.193 212 E C 2.039 178.642 176.600 0.005 0.000 0.989 212 E CA 0.866 57.270 56.400 0.006 0.000 0.800 212 E CB -0.122 29.580 29.700 0.003 0.000 0.746 212 E HN 0.103 nan 8.360 nan 0.000 0.452 213 L N 1.714 122.938 121.223 0.001 0.000 2.046 213 L HA -0.193 4.147 4.340 0.001 0.000 0.208 213 L C 2.224 179.090 176.870 -0.007 0.000 1.077 213 L CA 1.888 56.725 54.840 -0.004 0.000 0.747 213 L CB -0.339 41.719 42.059 -0.001 0.000 0.896 213 L HN 0.074 nan 8.230 nan 0.000 0.432 214 E N -0.525 119.671 120.200 -0.006 0.000 2.031 214 E HA -0.255 4.096 4.350 0.001 0.000 0.193 214 E C 2.133 178.734 176.600 0.002 0.000 0.994 214 E CA 1.422 57.816 56.400 -0.012 0.000 0.800 214 E CB -0.035 29.661 29.700 -0.007 0.000 0.752 214 E HN 0.521 nan 8.360 nan 0.000 0.447 215 K N 0.192 120.597 120.400 0.009 0.000 1.991 215 K HA -0.161 4.160 4.320 0.001 0.000 0.212 215 K C 2.214 178.831 176.600 0.028 0.000 1.049 215 K CA 1.526 57.823 56.287 0.016 0.000 0.932 215 K CB -0.558 31.951 32.500 0.015 0.000 0.717 215 K HN 0.093 nan 8.250 nan 0.000 0.441 216 V N 1.916 121.849 119.914 0.031 0.000 2.568 216 V HA -0.220 3.901 4.120 0.001 0.000 0.253 216 V C 2.161 178.302 176.094 0.078 0.000 1.072 216 V CA 2.521 64.850 62.300 0.049 0.000 1.084 216 V CB -0.499 31.352 31.823 0.047 0.000 0.676 216 V HN 0.643 nan 8.190 nan 0.000 0.469 217 T N -3.533 111.062 114.554 0.068 0.000 3.037 217 T HA 0.271 4.622 4.350 0.001 0.000 0.252 217 T C 1.447 176.205 174.700 0.096 0.000 1.073 217 T CA 0.744 62.913 62.100 0.115 0.000 1.091 217 T CB 0.316 69.177 68.868 -0.012 0.000 0.935 217 T HN 1.376 nan 8.240 nan 0.000 0.488 218 G N 1.611 110.440 108.800 0.049 0.000 2.298 218 G HA2 -0.157 3.804 3.960 0.001 0.000 0.287 218 G HA3 -0.157 3.804 3.960 0.001 0.000 0.287 218 G C -0.217 174.700 174.900 0.029 0.000 1.075 218 G CA 0.175 45.300 45.100 0.042 0.000 0.960 218 G HN 0.697 nan 8.290 nan 0.000 0.502 219 I N 0.066 120.634 120.570 -0.003 0.000 2.644 219 I HA 0.211 4.382 4.170 0.001 0.000 0.291 219 I C 0.254 176.351 176.117 -0.034 0.000 1.180 219 I CA -1.161 60.124 61.300 -0.025 0.000 1.040 219 I CB 1.926 39.881 38.000 -0.076 0.000 1.255 219 I HN 0.304 nan 8.210 nan 0.000 0.422 220 Q N 7.325 127.111 119.800 -0.024 0.000 2.257 220 Q HA 0.165 4.506 4.340 0.001 0.000 0.273 220 Q C -0.993 174.986 176.000 -0.035 0.000 1.153 220 Q CA 0.417 56.206 55.803 -0.023 0.000 0.922 220 Q CB 0.570 29.297 28.738 -0.017 0.000 1.242 220 Q HN 0.608 nan 8.270 nan 0.000 0.409 221 L N 3.510 124.714 121.223 -0.032 0.000 2.709 221 L HA 0.406 4.747 4.340 0.001 0.000 0.236 221 L C -0.151 176.705 176.870 -0.024 0.000 1.266 221 L CA -0.393 54.427 54.840 -0.034 0.000 0.987 221 L CB 0.481 42.522 42.059 -0.029 0.000 1.306 221 L HN 0.915 nan 8.230 nan 0.000 0.467 222 T N -0.781 113.761 114.554 -0.021 0.000 3.109 222 T HA 0.100 4.451 4.350 0.001 0.000 0.352 222 T C -2.603 172.082 174.700 -0.026 0.000 1.779 222 T CA -1.101 60.984 62.100 -0.025 0.000 1.022 222 T CB 0.028 68.876 68.868 -0.032 0.000 1.911 222 T HN 0.275 nan 8.240 nan 0.000 0.528 223 P HA 0.545 nan 4.420 nan 0.000 0.270 223 P C -0.665 176.616 177.300 -0.033 0.000 1.227 223 P CA -0.167 62.917 63.100 -0.027 0.000 0.788 223 P CB 0.128 31.812 31.700 -0.026 0.000 0.926 224 A N 2.308 125.108 122.820 -0.034 0.000 2.476 224 A HA 0.330 4.651 4.320 0.001 0.000 0.275 224 A C -1.742 175.813 177.584 -0.048 0.000 1.133 224 A CA -0.825 51.189 52.037 -0.039 0.000 0.797 224 A CB -1.356 17.620 19.000 -0.039 0.000 1.081 224 A HN 0.410 nan 8.150 nan 0.000 0.510 225 P HA 0.286 nan 4.420 nan 0.000 0.272 225 P C -0.281 176.983 177.300 -0.059 0.000 1.230 225 P CA -0.430 62.639 63.100 -0.052 0.000 0.788 225 P CB 0.432 32.098 31.700 -0.057 0.000 0.949 226 L N 2.925 124.115 121.223 -0.054 0.000 2.417 226 L HA 0.282 4.623 4.340 0.001 0.000 0.268 226 L C -1.462 175.398 176.870 -0.017 0.000 1.158 226 L CA -1.779 53.014 54.840 -0.079 0.000 0.819 226 L CB 0.070 42.093 42.059 -0.059 0.000 1.112 226 L HN 0.379 nan 8.230 nan 0.000 0.458 227 P HA -0.001 nan 4.420 nan 0.000 0.271 227 P C -0.499 176.901 177.300 0.166 0.000 1.238 227 P CA -0.367 62.775 63.100 0.070 0.000 0.794 227 P CB 0.169 31.913 31.700 0.072 0.000 0.959 228 T N 0.842 115.484 114.554 0.148 0.000 2.867 228 T HA 0.141 4.491 4.350 0.001 0.000 0.297 228 T C 0.611 175.384 174.700 0.121 0.000 0.989 228 T CA 0.419 62.609 62.100 0.150 0.000 1.159 228 T CB -0.096 68.879 68.868 0.178 0.000 0.928 228 T HN 0.381 nan 8.240 nan 0.000 0.538 229 S N 1.063 116.789 115.700 0.043 0.000 2.651 229 S HA 0.585 5.055 4.470 0.001 0.000 0.291 229 S C 0.103 174.656 174.600 -0.079 0.000 1.141 229 S CA -1.016 57.094 58.200 -0.150 0.000 1.027 229 S CB 0.288 63.318 63.200 -0.285 0.000 1.043 229 S HN 0.949 nan 8.310 nan 0.000 0.530 230 C N 3.567 122.811 119.300 -0.094 0.000 2.411 230 C HA 0.643 5.104 4.460 0.001 0.000 0.330 230 C C 0.079 175.114 174.990 0.075 0.000 1.224 230 C CA -1.422 57.605 59.018 0.016 0.000 1.770 230 C CB 0.162 27.943 27.740 0.069 0.000 2.297 230 C HN 0.857 nan 8.230 nan 0.000 0.507 231 N N 2.988 121.731 118.700 0.071 0.000 2.420 231 N HA 0.227 4.968 4.740 0.001 0.000 0.262 231 N C -1.443 174.157 175.510 0.150 0.000 1.144 231 N CA -1.741 51.359 53.050 0.084 0.000 0.952 231 N CB 1.077 39.594 38.487 0.050 0.000 1.081 231 N HN 0.446 nan 8.380 nan 0.000 0.480 232 P HA -0.187 nan 4.420 nan 0.000 0.218 232 P C 1.081 178.587 177.300 0.344 0.000 1.152 232 P CA 1.562 64.884 63.100 0.369 0.000 0.857 232 P CB 0.155 32.004 31.700 0.248 0.000 0.787 233 S N -2.475 113.351 115.700 0.211 0.000 2.561 233 S HA -0.036 4.434 4.470 0.001 0.000 0.225 233 S C 1.290 175.966 174.600 0.126 0.000 0.977 233 S CA 0.684 58.986 58.200 0.171 0.000 0.926 233 S CB -0.644 62.616 63.200 0.101 0.000 0.769 233 S HN 0.102 nan 8.310 nan 0.000 0.533 234 D N 0.662 121.117 120.400 0.093 0.000 2.379 234 D HA 0.217 4.858 4.640 0.001 0.000 0.208 234 D C 0.188 176.487 176.300 -0.002 0.000 1.065 234 D CA 0.170 54.194 54.000 0.040 0.000 0.848 234 D CB 0.157 40.969 40.800 0.020 0.000 0.949 234 D HN 0.375 nan 8.370 nan 0.000 0.509 235 M N 0.602 120.180 119.600 -0.037 0.000 2.241 235 M HA 0.106 4.586 4.480 0.001 0.000 0.335 235 M C 0.725 176.838 176.300 -0.311 0.000 1.122 235 M CA -0.347 54.812 55.300 -0.235 0.000 1.164 235 M CB 0.876 33.196 32.600 -0.467 0.000 1.459 235 M HN -0.278 nan 8.290 nan 0.000 0.461 236 S N 2.424 117.927 115.700 -0.328 0.000 2.474 236 S HA 0.195 4.665 4.470 0.001 0.000 0.276 236 S C -0.562 173.744 174.600 -0.490 0.000 1.227 236 S CA -0.434 57.610 58.200 -0.260 0.000 1.050 236 S CB -0.066 63.027 63.200 -0.178 0.000 0.939 236 S HN 0.519 nan 8.310 nan 0.000 0.490 237 H N 3.192 122.126 119.070 -0.227 0.000 2.488 237 H HA 0.471 5.027 4.556 0.001 0.000 0.322 237 H C 0.584 175.649 175.328 -0.439 0.000 1.078 237 H CA -0.416 55.435 56.048 -0.328 0.000 1.260 237 H CB 1.457 31.236 29.762 0.028 0.000 1.425 237 H HN 0.773 nan 8.280 nan 0.000 0.471 238 G N 2.146 110.320 108.800 -1.044 0.000 2.448 238 G HA2 0.459 4.419 3.960 0.001 0.000 0.324 238 G HA3 0.459 4.419 3.960 0.001 0.000 0.324 238 G C -1.657 172.766 174.900 -0.795 0.000 1.203 238 G CA -0.454 44.033 45.100 -1.021 0.000 0.954 238 G HN 0.428 nan 8.290 nan 0.000 0.480 239 Y N 0.556 120.886 120.300 0.049 0.000 2.331 239 Y HA 0.463 5.014 4.550 0.001 0.000 0.326 239 Y C -0.288 175.777 175.900 0.276 0.000 1.020 239 Y CA -0.920 57.309 58.100 0.216 0.000 1.136 239 Y CB 2.454 40.997 38.460 0.137 0.000 1.157 239 Y HN 0.337 nan 8.280 nan 0.000 0.444 240 V N 2.996 123.196 119.914 0.478 0.000 2.409 240 V HA 0.362 4.482 4.120 0.001 0.000 0.291 240 V C -0.100 176.167 176.094 0.290 0.000 1.020 240 V CA -0.781 61.740 62.300 0.368 0.000 0.848 240 V CB 1.893 33.967 31.823 0.418 0.000 0.990 240 V HN 0.790 nan 8.190 nan 0.000 0.430 241 T N 4.542 119.214 114.554 0.197 0.000 2.727 241 T HA 0.174 4.525 4.350 0.001 0.000 0.295 241 T C 1.093 175.864 174.700 0.119 0.000 0.915 241 T CA -0.095 62.090 62.100 0.142 0.000 1.066 241 T CB 1.010 69.938 68.868 0.100 0.000 0.891 241 T HN 0.688 nan 8.240 nan 0.000 0.516 242 V N 1.028 121.009 119.914 0.112 0.000 3.354 242 V HA 0.456 4.577 4.120 0.001 0.000 0.258 242 V C 0.518 176.634 176.094 0.037 0.000 1.159 242 V CA 0.545 62.896 62.300 0.085 0.000 1.125 242 V CB -0.487 31.392 31.823 0.093 0.000 0.774 242 V HN 0.625 nan 8.190 nan 0.000 0.464 243 K N -0.370 120.047 120.400 0.028 0.000 2.575 243 K HA 0.496 4.817 4.320 0.001 0.000 0.279 243 K C -3.134 173.472 176.600 0.010 0.000 0.969 243 K CA -1.901 54.389 56.287 0.005 0.000 0.868 243 K CB 2.364 34.850 32.500 -0.023 0.000 1.457 243 K HN -0.168 nan 8.250 nan 0.000 0.426 244 P HA 0.003 nan 4.420 nan 0.000 0.261 244 P C -0.719 176.584 177.300 0.004 0.000 1.183 244 P CA 0.379 63.483 63.100 0.006 0.000 0.761 244 P CB 0.433 32.133 31.700 -0.001 0.000 0.785 245 R N 2.160 122.668 120.500 0.015 0.000 3.333 245 R HA -0.148 4.193 4.340 0.001 0.000 0.256 245 R C -1.409 174.900 176.300 0.016 0.000 1.010 245 R CA 0.658 56.768 56.100 0.017 0.000 0.680 245 R CB -2.156 28.150 30.300 0.009 0.000 1.102 245 R HN 0.241 nan 8.270 nan 0.000 0.440 246 V N 1.785 121.715 119.914 0.027 0.000 2.757 246 V HA 0.290 4.411 4.120 0.001 0.000 0.262 246 V C -0.252 175.881 176.094 0.065 0.000 0.971 246 V CA -0.085 62.230 62.300 0.025 0.000 0.906 246 V CB 1.224 33.036 31.823 -0.018 0.000 1.056 246 V HN 0.416 nan 8.190 nan 0.000 0.489 247 R N 4.550 125.113 120.500 0.105 0.000 2.494 247 R HA 0.872 5.213 4.340 0.001 0.000 0.305 247 R C -1.526 174.889 176.300 0.192 0.000 0.959 247 R CA -0.795 55.404 56.100 0.165 0.000 0.864 247 R CB 1.967 32.389 30.300 0.202 0.000 1.159 247 R HN 0.459 nan 8.270 nan 0.000 0.446 248 L N 3.488 124.827 121.223 0.194 0.000 2.307 248 L HA 0.379 4.720 4.340 0.001 0.000 0.282 248 L C 0.282 177.279 176.870 0.212 0.000 1.051 248 L CA -0.869 54.057 54.840 0.144 0.000 0.804 248 L CB 1.239 43.257 42.059 -0.068 0.000 1.197 248 L HN 0.641 nan 8.230 nan 0.000 0.431 249 H N 4.067 123.174 119.070 0.060 0.000 2.463 249 H HA 0.554 5.110 4.556 0.001 0.000 0.332 249 H C -1.502 173.818 175.328 -0.014 0.000 1.127 249 H CA -0.579 55.363 56.048 -0.177 0.000 1.238 249 H CB 1.740 31.361 29.762 -0.235 0.000 1.478 249 H HN 0.505 nan 8.280 nan 0.000 0.499 250 F N 1.920 121.203 119.950 -1.112 0.000 2.662 250 F HA 0.533 5.060 4.527 0.001 0.000 0.312 250 F C -2.129 173.119 175.800 -0.920 0.000 1.113 250 F CA -1.079 56.427 58.000 -0.822 0.000 0.951 250 F CB 0.600 39.424 39.000 -0.292 0.000 1.344 250 F HN 0.186 nan 8.300 nan 0.000 0.462 251 V N 1.401 120.915 119.914 -0.667 0.000 2.483 251 V HA 0.475 4.595 4.120 0.001 0.000 0.295 251 V C -0.777 175.160 176.094 -0.263 0.000 1.035 251 V CA -0.469 61.371 62.300 -0.767 0.000 0.896 251 V CB 1.511 32.696 31.823 -1.064 0.000 0.986 251 V HN 0.872 nan 8.190 nan 0.000 0.447 252 E N 3.860 123.903 120.200 -0.262 0.000 2.234 252 E HA 0.711 5.062 4.350 0.001 0.000 0.266 252 E C -1.849 174.704 176.600 -0.078 0.000 0.877 252 E CA -0.655 55.727 56.400 -0.030 0.000 0.758 252 E CB 2.064 31.830 29.700 0.110 0.000 1.170 252 E HN 0.508 nan 8.360 nan 0.000 0.415 253 L N 3.769 124.972 121.223 -0.033 0.000 2.505 253 L HA 0.732 5.072 4.340 0.001 0.000 0.259 253 L C -0.465 176.401 176.870 -0.006 0.000 0.952 253 L CA 0.716 55.538 54.840 -0.031 0.000 0.840 253 L CB 1.968 44.007 42.059 -0.033 0.000 1.358 253 L HN 0.722 nan 8.230 nan 0.000 0.409 254 G N 2.423 111.217 108.800 -0.011 0.000 2.795 254 G HA2 0.215 4.176 3.960 0.001 0.000 0.664 254 G HA3 0.215 4.176 3.960 0.001 0.000 0.664 254 G C -0.783 174.108 174.900 -0.015 0.000 1.381 254 G CA -0.237 44.859 45.100 -0.006 0.000 0.853 254 G HN 1.612 nan 8.290 nan 0.000 0.545 255 S N -0.581 115.100 115.700 -0.031 0.000 2.634 255 S HA 1.119 5.589 4.470 0.001 0.000 0.296 255 S C 0.596 175.145 174.600 -0.085 0.000 1.104 255 S CA 0.508 58.680 58.200 -0.047 0.000 0.920 255 S CB 2.006 65.177 63.200 -0.048 0.000 1.111 255 S HN 3.076 nan 8.310 nan 0.000 0.493 256 G N 0.421 109.167 108.800 -0.091 0.000 2.306 256 G HA2 0.190 4.150 3.960 0.001 0.000 0.262 256 G HA3 0.190 4.150 3.960 0.001 0.000 0.262 256 G C -3.433 171.419 174.900 -0.080 0.000 1.263 256 G CA -0.821 44.192 45.100 -0.145 0.000 1.088 256 G HN 0.780 nan 8.290 nan 0.000 0.489 257 P HA 0.455 nan 4.420 nan 0.000 0.266 257 P C 0.133 177.475 177.300 0.070 0.000 1.195 257 P CA 0.806 63.928 63.100 0.037 0.000 0.768 257 P CB 0.778 32.558 31.700 0.133 0.000 0.838 258 A N 3.377 126.195 122.820 -0.003 0.000 2.404 258 A HA 0.328 4.649 4.320 0.001 0.000 0.273 258 A C -0.177 177.355 177.584 -0.087 0.000 1.144 258 A CA -0.074 51.930 52.037 -0.055 0.000 0.806 258 A CB -0.220 18.714 19.000 -0.111 0.000 1.080 258 A HN 0.382 nan 8.150 nan 0.000 0.509 259 V N 3.596 123.451 119.914 -0.097 0.000 2.326 259 V HA 0.188 4.309 4.120 0.001 0.000 0.281 259 V C -0.033 175.902 176.094 -0.265 0.000 1.015 259 V CA -0.670 61.528 62.300 -0.171 0.000 0.823 259 V CB 0.993 32.728 31.823 -0.147 0.000 1.009 259 V HN 0.979 nan 8.190 nan 0.000 0.436 260 C N 7.757 126.812 119.300 -0.408 0.000 2.303 260 C HA 0.570 5.031 4.460 0.001 0.000 0.341 260 C C 0.096 174.829 174.990 -0.429 0.000 1.244 260 C CA -0.618 58.122 59.018 -0.463 0.000 1.765 260 C CB -1.168 26.105 27.740 -0.778 0.000 2.379 260 C HN 0.797 nan 8.230 nan 0.000 0.530 261 L N 6.345 127.280 121.223 -0.479 0.000 2.275 261 L HA 0.443 4.783 4.340 0.001 0.000 0.288 261 L C -0.258 176.357 176.870 -0.426 0.000 1.046 261 L CA -0.277 54.073 54.840 -0.816 0.000 0.805 261 L CB 0.903 42.031 42.059 -1.552 0.000 1.193 261 L HN 0.630 nan 8.230 nan 0.000 0.426 262 C N 2.333 121.570 119.300 -0.105 0.000 2.335 262 C HA 0.354 4.815 4.460 0.001 0.000 0.318 262 C C 0.306 175.602 174.990 0.510 0.000 1.150 262 C CA -1.070 58.064 59.018 0.192 0.000 1.466 262 C CB -0.716 27.137 27.740 0.188 0.000 2.024 262 C HN 0.827 nan 8.230 nan 0.000 0.429 263 H N 0.755 120.235 119.070 0.682 0.000 2.822 263 H HA 0.531 5.088 4.556 0.001 0.000 0.373 263 H C 0.607 176.071 175.328 0.226 0.000 1.223 263 H CA 0.536 56.866 56.048 0.470 0.000 1.436 263 H CB 0.436 30.359 29.762 0.269 0.000 1.439 263 H HN 0.597 nan 8.280 nan 0.000 0.618 264 G N -0.103 109.001 108.800 0.506 0.000 2.736 264 G HA2 0.355 4.316 3.960 0.001 0.000 0.229 264 G HA3 0.355 4.316 3.960 0.001 0.000 0.229 264 G C -1.342 173.853 174.900 0.491 0.000 1.380 264 G CA -0.867 44.480 45.100 0.413 0.000 1.040 264 G HN 0.651 nan 8.290 nan 0.000 0.568 265 F N 1.929 122.177 119.950 0.496 0.000 2.408 265 F HA 0.641 5.168 4.527 0.001 0.000 0.344 265 F C -2.083 174.237 175.800 0.868 0.000 1.112 265 F CA -2.812 55.580 58.000 0.653 0.000 1.096 265 F CB 2.468 41.889 39.000 0.701 0.000 1.129 265 F HN 0.087 nan 8.300 nan 0.000 0.486 266 P HA 0.300 nan 4.420 nan 0.000 0.217 266 P C -1.498 176.152 177.300 0.583 0.000 1.793 266 P CA -0.165 62.929 63.100 -0.010 0.000 1.236 266 P CB 1.115 32.382 31.700 -0.721 0.000 1.614 267 E N 0.743 121.194 120.200 0.418 0.000 2.678 267 E HA 0.701 5.051 4.350 0.001 0.000 0.204 267 E C -0.336 176.106 176.600 -0.263 0.000 0.743 267 E CA -0.983 55.591 56.400 0.290 0.000 1.082 267 E CB 0.669 30.503 29.700 0.224 0.000 1.721 267 E HN 0.275 nan 8.360 nan 0.000 0.390 268 S N -1.029 114.395 115.700 -0.460 0.000 2.672 268 S HA 0.113 4.584 4.470 0.001 0.000 0.271 268 S C -0.442 174.080 174.600 -0.129 0.000 1.171 268 S CA -0.665 57.229 58.200 -0.509 0.000 0.817 268 S CB 0.284 63.326 63.200 -0.265 0.000 1.150 268 S HN 0.822 nan 8.310 nan 0.000 0.478 269 W N 0.948 122.391 121.300 0.238 0.000 2.392 269 W HA -0.108 4.552 4.660 0.001 0.000 0.279 269 W C 1.118 177.819 176.519 0.304 0.000 1.225 269 W CA 1.038 58.618 57.345 0.392 0.000 1.233 269 W CB -0.953 28.680 29.460 0.288 0.000 1.122 269 W HN 0.797 nan 8.180 nan 0.000 0.561 270 Y N 2.823 122.434 120.300 -1.148 0.000 2.403 270 Y HA -0.158 4.393 4.550 0.001 0.000 0.291 270 Y C 2.582 178.090 175.900 -0.653 0.000 1.143 270 Y CA 1.789 59.035 58.100 -1.424 0.000 1.257 270 Y CB -0.679 36.772 38.460 -1.680 0.000 0.984 270 Y HN -0.127 nan 8.280 nan 0.000 0.550 271 S N -1.292 114.176 115.700 -0.388 0.000 2.547 271 S HA -0.160 4.311 4.470 0.001 0.000 0.235 271 S C 0.574 174.826 174.600 -0.580 0.000 0.980 271 S CA 0.940 58.874 58.200 -0.444 0.000 0.941 271 S CB -0.499 62.457 63.200 -0.407 0.000 0.763 271 S HN 0.640 nan 8.310 nan 0.000 0.532 272 W N 1.538 122.734 121.300 -0.173 0.000 3.123 272 W HA 0.263 4.924 4.660 0.001 0.000 0.383 272 W C 1.578 178.007 176.519 -0.151 0.000 1.102 272 W CA -0.922 56.375 57.345 -0.079 0.000 1.865 272 W CB -0.120 29.369 29.460 0.049 0.000 1.111 272 W HN 0.213 nan 8.180 nan 0.000 0.621 273 R N -0.805 119.514 120.500 -0.300 0.000 2.261 273 R HA -0.229 4.112 4.340 0.001 0.000 0.236 273 R C 0.823 176.897 176.300 -0.378 0.000 1.141 273 R CA 1.522 57.335 56.100 -0.478 0.000 1.001 273 R CB -0.908 28.692 30.300 -1.165 0.000 0.866 273 R HN 0.225 nan 8.270 nan 0.000 0.468 274 Y N 1.238 121.475 120.300 -0.104 0.000 2.436 274 Y HA 0.061 4.612 4.550 0.001 0.000 0.288 274 Y C 2.390 178.306 175.900 0.027 0.000 1.112 274 Y CA 0.592 58.659 58.100 -0.055 0.000 1.220 274 Y CB 0.159 38.563 38.460 -0.093 0.000 1.073 274 Y HN 0.121 nan 8.280 nan 0.000 0.552 275 Q N -0.178 119.769 119.800 0.246 0.000 2.402 275 Q HA 0.073 4.414 4.340 0.001 0.000 0.206 275 Q C 1.974 178.073 176.000 0.164 0.000 0.919 275 Q CA 0.730 56.662 55.803 0.215 0.000 0.923 275 Q CB -0.301 28.606 28.738 0.281 0.000 1.048 275 Q HN 0.503 nan 8.270 nan 0.000 0.515 276 I N 1.845 122.514 120.570 0.165 0.000 2.127 276 I HA -0.210 3.961 4.170 0.001 0.000 0.241 276 I C -0.554 175.615 176.117 0.086 0.000 1.075 276 I CA 1.359 62.729 61.300 0.116 0.000 1.334 276 I CB -1.411 36.673 38.000 0.139 0.000 1.040 276 I HN 0.125 nan 8.210 nan 0.000 0.405 277 P HA -0.101 nan 4.420 nan 0.000 0.216 277 P C 1.476 178.826 177.300 0.083 0.000 1.153 277 P CA 1.635 64.776 63.100 0.068 0.000 0.844 277 P CB 0.002 31.741 31.700 0.066 0.000 0.787 278 A N 0.124 123.004 122.820 0.101 0.000 1.841 278 A HA -0.192 4.129 4.320 0.001 0.000 0.216 278 A C 2.207 179.860 177.584 0.115 0.000 1.199 278 A CA 1.660 53.760 52.037 0.104 0.000 0.621 278 A CB -1.765 17.298 19.000 0.105 0.000 0.835 278 A HN 0.060 nan 8.150 nan 0.000 0.445 279 L N -0.840 120.451 121.223 0.114 0.000 2.081 279 L HA -0.280 4.061 4.340 0.001 0.000 0.212 279 L C 3.066 180.062 176.870 0.210 0.000 1.080 279 L CA 1.317 56.240 54.840 0.138 0.000 0.754 279 L CB -0.883 41.206 42.059 0.051 0.000 0.893 279 L HN 0.519 nan 8.230 nan 0.000 0.433 280 A N -0.324 122.573 122.820 0.128 0.000 1.855 280 A HA -0.266 4.055 4.320 0.001 0.000 0.215 280 A C 2.216 179.846 177.584 0.077 0.000 1.191 280 A CA 1.650 53.744 52.037 0.094 0.000 0.613 280 A CB -0.576 18.454 19.000 0.050 0.000 0.829 280 A HN 0.340 nan 8.150 nan 0.000 0.442 281 Q N -0.197 119.647 119.800 0.074 0.000 2.181 281 Q HA -0.080 4.261 4.340 0.001 0.000 0.205 281 Q C 1.881 177.920 176.000 0.065 0.000 0.980 281 Q CA 1.846 57.684 55.803 0.058 0.000 0.862 281 Q CB -0.589 28.190 28.738 0.068 0.000 0.905 281 Q HN 0.610 nan 8.270 nan 0.000 0.429 282 A N -1.166 121.727 122.820 0.122 0.000 2.209 282 A HA 0.309 4.629 4.320 0.001 0.000 0.212 282 A C 1.260 178.872 177.584 0.047 0.000 1.158 282 A CA 0.938 53.070 52.037 0.159 0.000 0.742 282 A CB -0.531 18.642 19.000 0.289 0.000 0.790 282 A HN 0.604 nan 8.150 nan 0.000 0.472 283 G N -2.426 106.343 108.800 -0.052 0.000 2.226 283 G HA2 -0.155 3.805 3.960 0.001 0.000 0.176 283 G HA3 -0.155 3.805 3.960 0.001 0.000 0.176 283 G C -0.418 174.094 174.900 -0.646 0.000 1.042 283 G CA -0.088 44.824 45.100 -0.314 0.000 0.732 283 G HN 0.413 nan 8.290 nan 0.000 0.494 284 Y N -1.276 119.008 120.300 -0.026 0.000 2.545 284 Y HA 0.683 5.234 4.550 0.001 0.000 0.348 284 Y C 0.573 176.448 175.900 -0.042 0.000 1.002 284 Y CA -1.240 56.837 58.100 -0.039 0.000 1.039 284 Y CB 1.532 39.968 38.460 -0.040 0.000 1.271 284 Y HN 0.124 nan 8.280 nan 0.000 0.467 285 R N 2.166 122.722 120.500 0.094 0.000 2.296 285 R HA 0.489 4.829 4.340 0.001 0.000 0.327 285 R C -1.620 174.690 176.300 0.017 0.000 1.137 285 R CA -0.282 55.834 56.100 0.026 0.000 1.020 285 R CB 0.032 30.325 30.300 -0.011 0.000 1.110 285 R HN 0.555 nan 8.270 nan 0.000 0.499 286 V N 6.932 126.856 119.914 0.016 0.000 2.488 286 V HA 0.138 4.258 4.120 0.001 0.000 0.277 286 V C 0.386 176.463 176.094 -0.029 0.000 1.046 286 V CA -0.163 62.121 62.300 -0.025 0.000 0.986 286 V CB 1.207 33.024 31.823 -0.009 0.000 0.989 286 V HN 0.662 nan 8.190 nan 0.000 0.475 287 L N 5.412 126.586 121.223 -0.081 0.000 2.435 287 L HA 0.542 4.883 4.340 0.001 0.000 0.253 287 L C 0.591 177.419 176.870 -0.071 0.000 1.087 287 L CA -0.345 54.475 54.840 -0.034 0.000 0.950 287 L CB 0.996 42.955 42.059 -0.166 0.000 1.304 287 L HN 0.704 nan 8.230 nan 0.000 0.453 288 A N 4.085 126.897 122.820 -0.014 0.000 2.395 288 A HA 0.527 4.848 4.320 0.001 0.000 0.286 288 A C 0.487 178.145 177.584 0.124 0.000 1.193 288 A CA -0.286 51.758 52.037 0.012 0.000 0.852 288 A CB 0.153 19.282 19.000 0.215 0.000 1.118 288 A HN 0.489 nan 8.150 nan 0.000 0.524 289 M N 1.213 120.871 119.600 0.097 0.000 2.163 289 M HA 0.245 4.725 4.480 0.001 0.000 0.305 289 M C -0.475 176.051 176.300 0.376 0.000 1.166 289 M CA -0.192 55.179 55.300 0.119 0.000 1.132 289 M CB 0.346 32.925 32.600 -0.035 0.000 1.413 289 M HN 0.568 nan 8.290 nan 0.000 0.478 290 D N 1.845 122.437 120.400 0.320 0.000 2.404 290 D HA 0.317 4.957 4.640 0.001 0.000 0.267 290 D C -0.556 175.985 176.300 0.401 0.000 1.194 290 D CA -0.290 54.027 54.000 0.529 0.000 0.910 290 D CB 0.539 41.674 40.800 0.558 0.000 1.090 290 D HN 0.253 nan 8.370 nan 0.000 0.511 291 M N 1.032 120.818 119.600 0.310 0.000 2.245 291 M HA -0.008 4.472 4.480 0.001 0.000 0.335 291 M C 0.847 177.495 176.300 0.580 0.000 1.155 291 M CA 0.226 55.684 55.300 0.263 0.000 1.055 291 M CB -0.164 32.402 32.600 -0.058 0.000 1.670 291 M HN 0.225 nan 8.290 nan 0.000 0.447 292 K N 1.206 121.914 120.400 0.513 0.000 2.513 292 K HA 0.024 4.345 4.320 0.001 0.000 0.275 292 K C 1.000 178.060 176.600 0.767 0.000 1.025 292 K CA 1.312 57.872 56.287 0.455 0.000 1.125 292 K CB -0.083 32.522 32.500 0.176 0.000 0.843 292 K HN 0.906 nan 8.250 nan 0.000 0.486 293 G N 2.830 111.947 108.800 0.528 0.000 2.238 293 G HA2 -0.244 3.717 3.960 0.001 0.000 0.217 293 G HA3 -0.244 3.717 3.960 0.001 0.000 0.217 293 G C -0.775 174.077 174.900 -0.079 0.000 0.996 293 G CA 0.031 45.345 45.100 0.357 0.000 0.632 293 G HN 0.573 nan 8.290 nan 0.000 0.503 294 Y N 0.285 120.663 120.300 0.131 0.000 2.487 294 Y HA 0.565 5.115 4.550 0.001 0.000 0.337 294 Y C 1.524 177.394 175.900 -0.051 0.000 1.076 294 Y CA 0.204 58.247 58.100 -0.095 0.000 1.115 294 Y CB 1.282 39.735 38.460 -0.012 0.000 1.235 294 Y HN 0.948 nan 8.280 nan 0.000 0.468 295 G N 1.477 110.233 108.800 -0.073 0.000 2.698 295 G HA2 -0.405 3.555 3.960 0.001 0.000 0.337 295 G HA3 -0.405 3.555 3.960 0.001 0.000 0.337 295 G C 0.860 175.772 174.900 0.021 0.000 1.286 295 G CA 1.106 46.189 45.100 -0.028 0.000 1.000 295 G HN 0.771 nan 8.290 nan 0.000 0.547 296 E N 0.908 121.144 120.200 0.061 0.000 2.502 296 E HA 0.279 4.629 4.350 0.001 0.000 0.194 296 E C 0.958 177.673 176.600 0.190 0.000 1.062 296 E CA 0.246 56.664 56.400 0.031 0.000 0.867 296 E CB 0.161 29.694 29.700 -0.279 0.000 0.888 296 E HN 0.230 nan 8.360 nan 0.000 0.510 297 S N 0.346 116.185 115.700 0.232 0.000 2.632 297 S HA 0.230 4.701 4.470 0.001 0.000 0.271 297 S C 0.115 174.819 174.600 0.173 0.000 1.260 297 S CA -0.656 57.686 58.200 0.237 0.000 1.010 297 S CB 1.539 64.900 63.200 0.269 0.000 0.965 297 S HN 0.008 nan 8.310 nan 0.000 0.534 298 S N 1.607 117.396 115.700 0.149 0.000 2.560 298 S HA 0.372 4.842 4.470 0.001 0.000 0.284 298 S C 0.141 174.813 174.600 0.121 0.000 1.327 298 S CA -0.454 57.809 58.200 0.106 0.000 1.055 298 S CB 0.640 63.884 63.200 0.072 0.000 0.868 298 S HN 0.793 nan 8.310 nan 0.000 0.506 299 A N 4.443 127.330 122.820 0.112 0.000 3.159 299 A HA 0.461 4.782 4.320 0.001 0.000 0.330 299 A C -2.413 175.275 177.584 0.173 0.000 1.032 299 A CA -1.413 50.731 52.037 0.179 0.000 0.841 299 A CB 0.033 19.095 19.000 0.104 0.000 1.093 299 A HN 0.569 nan 8.150 nan 0.000 0.478 300 P HA 0.140 nan 4.420 nan 0.000 0.269 300 P C -1.985 175.437 177.300 0.203 0.000 1.209 300 P CA -0.806 62.353 63.100 0.098 0.000 0.776 300 P CB 1.081 32.778 31.700 -0.005 0.000 0.876 301 P HA -0.125 nan 4.420 nan 0.000 0.216 301 P C 0.098 177.479 177.300 0.134 0.000 1.153 301 P CA 1.229 64.397 63.100 0.114 0.000 0.848 301 P CB 0.190 31.927 31.700 0.062 0.000 0.787 302 E N -0.396 119.874 120.200 0.117 0.000 2.442 302 E HA 0.031 4.382 4.350 0.001 0.000 0.262 302 E C 1.484 178.188 176.600 0.174 0.000 1.004 302 E CA 0.056 56.514 56.400 0.097 0.000 0.928 302 E CB 0.245 29.969 29.700 0.039 0.000 0.937 302 E HN 0.122 nan 8.360 nan 0.000 0.446 303 I N 2.114 122.749 120.570 0.109 0.000 2.163 303 I HA -0.281 3.889 4.170 0.001 0.000 0.240 303 I C 1.533 177.717 176.117 0.111 0.000 1.081 303 I CA 1.126 62.495 61.300 0.115 0.000 1.353 303 I CB -0.179 37.846 38.000 0.043 0.000 1.054 303 I HN 0.505 nan 8.210 nan 0.000 0.407 304 E N 0.788 121.002 120.200 0.024 0.000 2.219 304 E HA -0.232 4.119 4.350 0.001 0.000 0.198 304 E C 1.836 178.364 176.600 -0.120 0.000 0.998 304 E CA 0.848 57.219 56.400 -0.048 0.000 0.818 304 E CB -0.397 29.269 29.700 -0.057 0.000 0.741 304 E HN 0.361 nan 8.360 nan 0.000 0.477 305 E N -0.424 119.702 120.200 -0.124 0.000 2.401 305 E HA -0.142 4.209 4.350 0.001 0.000 0.199 305 E C 0.343 176.562 176.600 -0.635 0.000 1.023 305 E CA 0.775 56.960 56.400 -0.359 0.000 0.859 305 E CB -0.010 29.442 29.700 -0.415 0.000 0.780 305 E HN 0.528 nan 8.360 nan 0.000 0.523 306 Y N -0.825 119.292 120.300 -0.305 0.000 2.660 306 Y HA 0.114 4.665 4.550 0.001 0.000 0.254 306 Y C 0.862 176.418 175.900 -0.574 0.000 1.176 306 Y CA -0.921 56.860 58.100 -0.532 0.000 1.195 306 Y CB -0.268 37.867 38.460 -0.542 0.000 1.190 306 Y HN -0.013 nan 8.280 nan 0.000 0.535 307 C N -1.105 118.007 119.300 -0.314 0.000 2.652 307 C HA 0.216 4.676 4.460 0.001 0.000 0.412 307 C C 2.123 176.847 174.990 -0.443 0.000 1.294 307 C CA -0.850 57.981 59.018 -0.312 0.000 2.127 307 C CB 0.425 28.014 27.740 -0.252 0.000 2.691 307 C HN 0.647 nan 8.230 nan 0.000 0.615 308 M N 1.134 120.501 119.600 -0.387 0.000 2.108 308 M HA -0.149 4.332 4.480 0.001 0.000 0.257 308 M C 2.248 178.098 176.300 -0.751 0.000 1.071 308 M CA 2.139 57.197 55.300 -0.403 0.000 1.093 308 M CB -0.976 31.530 32.600 -0.156 0.000 1.345 308 M HN 0.987 nan 8.290 nan 0.000 0.403 309 E N -1.065 118.395 120.200 -1.233 0.000 2.051 309 E HA -0.188 4.163 4.350 0.001 0.000 0.192 309 E C 1.807 177.941 176.600 -0.777 0.000 0.991 309 E CA 1.803 57.200 56.400 -1.671 0.000 0.799 309 E CB -0.055 28.586 29.700 -1.765 0.000 0.748 309 E HN 0.370 nan 8.360 nan 0.000 0.449 310 V N 1.312 120.885 119.914 -0.568 0.000 2.427 310 V HA -0.250 3.871 4.120 0.001 0.000 0.248 310 V C 2.412 178.294 176.094 -0.354 0.000 1.051 310 V CA 1.299 63.366 62.300 -0.389 0.000 1.048 310 V CB -0.381 31.233 31.823 -0.349 0.000 0.666 310 V HN 0.325 nan 8.190 nan 0.000 0.456 311 L N -1.051 119.924 121.223 -0.414 0.000 2.046 311 L HA -0.216 4.125 4.340 0.001 0.000 0.208 311 L C 2.625 179.370 176.870 -0.208 0.000 1.077 311 L CA 1.605 56.233 54.840 -0.354 0.000 0.747 311 L CB -0.666 41.092 42.059 -0.501 0.000 0.896 311 L HN 0.385 nan 8.230 nan 0.000 0.432 312 C N -0.219 118.964 119.300 -0.195 0.000 2.453 312 C HA -0.132 4.329 4.460 0.001 0.000 0.277 312 C C 2.810 177.709 174.990 -0.152 0.000 1.262 312 C CA 0.540 59.520 59.018 -0.065 0.000 1.718 312 C CB -0.570 27.264 27.740 0.157 0.000 2.031 312 C HN 0.418 nan 8.230 nan 0.000 0.480 313 K N 0.755 121.057 120.400 -0.163 0.000 2.044 313 K HA -0.214 4.107 4.320 0.001 0.000 0.210 313 K C 1.894 178.399 176.600 -0.157 0.000 1.049 313 K CA 1.768 57.950 56.287 -0.176 0.000 0.927 313 K CB -0.265 32.167 32.500 -0.113 0.000 0.713 313 K HN 0.616 nan 8.250 nan 0.000 0.443 314 E N 0.036 120.159 120.200 -0.127 0.000 2.085 314 E HA -0.198 4.153 4.350 0.001 0.000 0.194 314 E C 2.024 178.619 176.600 -0.007 0.000 0.994 314 E CA 1.087 57.446 56.400 -0.070 0.000 0.801 314 E CB -0.051 29.594 29.700 -0.093 0.000 0.743 314 E HN 0.231 nan 8.360 nan 0.000 0.453 315 M N 0.387 119.976 119.600 -0.019 0.000 2.159 315 M HA -0.112 4.369 4.480 0.001 0.000 0.263 315 M C 2.395 178.775 176.300 0.132 0.000 1.063 315 M CA 0.986 56.341 55.300 0.092 0.000 1.110 315 M CB -0.704 31.964 32.600 0.114 0.000 1.374 315 M HN 0.027 nan 8.290 nan 0.000 0.411 316 V N -0.067 119.802 119.914 -0.076 0.000 2.307 316 V HA -0.233 3.888 4.120 0.001 0.000 0.245 316 V C 2.337 178.414 176.094 -0.028 0.000 1.045 316 V CA 2.046 64.262 62.300 -0.140 0.000 1.024 316 V CB -1.082 30.461 31.823 -0.466 0.000 0.651 316 V HN 0.445 nan 8.190 nan 0.000 0.449 317 T N 0.185 114.729 114.554 -0.016 0.000 2.788 317 T HA -0.201 4.150 4.350 0.001 0.000 0.268 317 T C 1.672 176.418 174.700 0.078 0.000 1.044 317 T CA 1.824 63.936 62.100 0.020 0.000 1.139 317 T CB -0.408 68.472 68.868 0.020 0.000 0.867 317 T HN 0.450 nan 8.240 nan 0.000 0.454 318 F N 1.814 121.739 119.950 -0.042 0.000 2.126 318 F HA -0.057 4.471 4.527 0.001 0.000 0.299 318 F C 1.854 177.612 175.800 -0.071 0.000 1.096 318 F CA 1.084 59.054 58.000 -0.050 0.000 1.255 318 F CB -0.548 38.419 39.000 -0.055 0.000 0.997 318 F HN 0.072 nan 8.300 nan 0.000 0.479 319 L N -0.230 120.975 121.223 -0.030 0.000 2.017 319 L HA -0.223 4.117 4.340 0.001 0.000 0.208 319 L C 2.335 179.120 176.870 -0.141 0.000 1.073 319 L CA 1.490 56.247 54.840 -0.138 0.000 0.745 319 L CB -0.967 41.111 42.059 0.031 0.000 0.894 319 L HN 0.062 nan 8.230 nan 0.000 0.432 320 D N 0.294 120.655 120.400 -0.066 0.000 2.106 320 D HA -0.190 4.450 4.640 0.001 0.000 0.191 320 D C 2.184 178.438 176.300 -0.076 0.000 0.997 320 D CA 1.269 55.238 54.000 -0.052 0.000 0.834 320 D CB -0.142 40.645 40.800 -0.022 0.000 0.956 320 D HN 0.162 nan 8.370 nan 0.000 0.448 321 K N 0.426 120.774 120.400 -0.088 0.000 2.097 321 K HA -0.038 4.283 4.320 0.001 0.000 0.206 321 K C 2.267 178.784 176.600 -0.139 0.000 1.049 321 K CA 0.232 56.468 56.287 -0.085 0.000 0.933 321 K CB -0.548 31.924 32.500 -0.045 0.000 0.717 321 K HN 0.265 nan 8.250 nan 0.000 0.442 322 L N 0.215 121.279 121.223 -0.265 0.000 2.610 322 L HA 0.020 4.361 4.340 0.001 0.000 0.232 322 L C 0.726 177.486 176.870 -0.183 0.000 1.149 322 L CA 0.440 55.107 54.840 -0.289 0.000 0.872 322 L CB -0.344 41.383 42.059 -0.554 0.000 0.992 322 L HN 0.420 nan 8.230 nan 0.000 0.447 323 G N 0.684 109.403 108.800 -0.135 0.000 2.176 323 G HA2 -0.284 3.677 3.960 0.001 0.000 0.252 323 G HA3 -0.284 3.677 3.960 0.001 0.000 0.252 323 G C 0.001 174.848 174.900 -0.088 0.000 1.024 323 G CA -0.075 44.972 45.100 -0.088 0.000 0.755 323 G HN 0.261 nan 8.290 nan 0.000 0.507 324 L N 0.888 122.044 121.223 -0.113 0.000 2.287 324 L HA 0.464 4.805 4.340 0.001 0.000 0.287 324 L C 1.692 178.538 176.870 -0.041 0.000 1.022 324 L CA -0.174 54.612 54.840 -0.091 0.000 0.814 324 L CB 1.685 43.658 42.059 -0.142 0.000 1.217 324 L HN 0.262 nan 8.230 nan 0.000 0.420 325 S N 1.466 117.157 115.700 -0.015 0.000 2.446 325 S HA 0.104 4.575 4.470 0.001 0.000 0.225 325 S C 0.575 175.204 174.600 0.048 0.000 1.016 325 S CA 0.075 58.285 58.200 0.016 0.000 0.943 325 S CB 0.191 63.401 63.200 0.016 0.000 0.786 325 S HN 0.723 nan 8.310 nan 0.000 0.508 326 Q N -0.532 119.293 119.800 0.041 0.000 2.565 326 Q HA 0.799 5.140 4.340 0.001 0.000 0.294 326 Q C -1.734 174.293 176.000 0.046 0.000 1.005 326 Q CA -0.896 54.959 55.803 0.085 0.000 0.771 326 Q CB 2.441 31.224 28.738 0.076 0.000 1.486 326 Q HN 0.369 nan 8.270 nan 0.000 0.422 327 A N 0.408 123.276 122.820 0.080 0.000 2.577 327 A HA 0.521 4.842 4.320 0.001 0.000 0.297 327 A C -1.426 176.136 177.584 -0.037 0.000 1.060 327 A CA -0.502 51.480 52.037 -0.092 0.000 0.697 327 A CB 1.313 20.108 19.000 -0.342 0.000 1.281 327 A HN 0.317 nan 8.150 nan 0.000 0.402 328 V N 2.081 121.942 119.914 -0.088 0.000 2.455 328 V HA 0.318 4.439 4.120 0.001 0.000 0.273 328 V C -0.727 175.322 176.094 -0.074 0.000 1.045 328 V CA 0.430 62.744 62.300 0.024 0.000 0.976 328 V CB 0.120 31.933 31.823 -0.017 0.000 0.993 328 V HN 0.602 nan 8.190 nan 0.000 0.475 329 F N 5.839 125.827 119.950 0.062 0.000 2.385 329 F HA 0.560 5.088 4.527 0.001 0.000 0.360 329 F C 0.339 176.122 175.800 -0.027 0.000 1.122 329 F CA -0.367 57.640 58.000 0.013 0.000 1.090 329 F CB 1.023 40.046 39.000 0.038 0.000 1.150 329 F HN 0.254 nan 8.300 nan 0.000 0.472 330 I N 3.472 124.051 120.570 0.015 0.000 2.410 330 I HA 0.522 4.693 4.170 0.001 0.000 0.286 330 I C 0.258 176.370 176.117 -0.007 0.000 1.009 330 I CA -0.468 60.802 61.300 -0.050 0.000 1.111 330 I CB 1.495 39.417 38.000 -0.130 0.000 1.262 330 I HN 0.652 nan 8.210 nan 0.000 0.443 331 G N 4.402 113.254 108.800 0.087 0.000 2.498 331 G HA2 0.486 4.447 3.960 0.001 0.000 0.312 331 G HA3 0.486 4.447 3.960 0.001 0.000 0.312 331 G C -1.701 173.411 174.900 0.352 0.000 1.230 331 G CA -0.305 44.947 45.100 0.254 0.000 0.968 331 G HN 0.649 nan 8.290 nan 0.000 0.481 332 H N 0.578 119.847 119.070 0.332 0.000 2.679 332 H HA 0.420 4.977 4.556 0.001 0.000 0.360 332 H C 0.224 175.653 175.328 0.168 0.000 1.105 332 H CA 0.419 56.570 56.048 0.173 0.000 1.196 332 H CB 2.393 32.162 29.762 0.011 0.000 1.636 332 H HN 0.761 nan 8.280 nan 0.000 0.531 333 D N 2.521 122.565 120.400 -0.594 0.000 3.685 333 D HA -0.336 4.305 4.640 0.001 0.000 0.152 333 D C 0.920 177.229 176.300 0.016 0.000 0.966 333 D CA 2.486 56.315 54.000 -0.286 0.000 1.085 333 D CB -1.180 39.506 40.800 -0.191 0.000 0.521 333 D HN 0.684 nan 8.370 nan 0.000 0.543 334 W N 0.300 121.665 121.300 0.108 0.000 2.350 334 W HA 0.026 4.686 4.660 0.001 0.000 0.289 334 W C 2.499 179.155 176.519 0.228 0.000 1.215 334 W CA 1.389 58.832 57.345 0.164 0.000 1.236 334 W CB -0.653 28.834 29.460 0.044 0.000 1.130 334 W HN 0.429 nan 8.180 nan 0.000 0.541 335 G N -0.241 108.777 108.800 0.364 0.000 2.422 335 G HA2 -0.198 3.762 3.960 0.001 0.000 0.218 335 G HA3 -0.198 3.762 3.960 0.001 0.000 0.218 335 G C 1.717 176.794 174.900 0.295 0.000 1.146 335 G CA 1.082 46.383 45.100 0.335 0.000 0.769 335 G HN 0.399 nan 8.290 nan 0.000 0.547 336 G N 0.706 109.628 108.800 0.203 0.000 2.446 336 G HA2 -0.256 3.705 3.960 0.001 0.000 0.217 336 G HA3 -0.256 3.705 3.960 0.001 0.000 0.217 336 G C 1.758 176.734 174.900 0.128 0.000 1.168 336 G CA 1.417 46.555 45.100 0.064 0.000 0.771 336 G HN 0.389 nan 8.290 nan 0.000 0.551 337 M N 0.361 120.155 119.600 0.324 0.000 2.080 337 M HA 0.025 4.505 4.480 0.001 0.000 0.260 337 M C 2.220 178.906 176.300 0.644 0.000 1.068 337 M CA 1.081 56.701 55.300 0.533 0.000 1.109 337 M CB -0.390 32.442 32.600 0.386 0.000 1.342 337 M HN 0.190 nan 8.290 nan 0.000 0.405 338 L N 0.187 121.743 121.223 0.555 0.000 2.012 338 L HA -0.135 4.205 4.340 0.001 0.000 0.210 338 L C 2.360 179.461 176.870 0.384 0.000 1.073 338 L CA 2.568 57.705 54.840 0.495 0.000 0.748 338 L CB -1.378 40.973 42.059 0.488 0.000 0.891 338 L HN 0.425 nan 8.230 nan 0.000 0.431 339 V N -3.537 116.524 119.914 0.244 0.000 2.515 339 V HA -0.264 3.857 4.120 0.001 0.000 0.250 339 V C 2.306 178.483 176.094 0.138 0.000 1.058 339 V CA 1.519 63.877 62.300 0.097 0.000 1.064 339 V CB -1.467 30.367 31.823 0.020 0.000 0.675 339 V HN 0.500 nan 8.190 nan 0.000 0.461 340 W N -0.643 120.788 121.300 0.219 0.000 2.338 340 W HA -0.120 4.541 4.660 0.001 0.000 0.304 340 W C 2.443 178.908 176.519 -0.091 0.000 1.212 340 W CA 1.088 58.458 57.345 0.042 0.000 1.264 340 W CB -0.384 29.161 29.460 0.141 0.000 1.142 340 W HN 0.258 nan 8.180 nan 0.000 0.512 341 Y N -0.993 119.569 120.300 0.437 0.000 2.516 341 Y HA -0.143 4.408 4.550 0.001 0.000 0.291 341 Y C 2.399 178.540 175.900 0.402 0.000 1.131 341 Y CA 0.681 59.031 58.100 0.417 0.000 1.281 341 Y CB -0.522 38.247 38.460 0.516 0.000 1.013 341 Y HN -0.094 nan 8.280 nan 0.000 0.554 342 M N -0.868 118.944 119.600 0.355 0.000 2.200 342 M HA -0.069 4.411 4.480 0.001 0.000 0.265 342 M C 2.377 178.773 176.300 0.161 0.000 1.066 342 M CA 1.331 56.753 55.300 0.203 0.000 1.127 342 M CB -1.203 31.232 32.600 -0.274 0.000 1.379 342 M HN 0.276 nan 8.290 nan 0.000 0.420 343 A N -0.356 122.528 122.820 0.107 0.000 2.014 343 A HA -0.030 4.291 4.320 0.001 0.000 0.218 343 A C 2.210 179.778 177.584 -0.028 0.000 1.163 343 A CA 0.946 53.025 52.037 0.070 0.000 0.652 343 A CB -0.636 18.437 19.000 0.122 0.000 0.808 343 A HN 0.453 nan 8.150 nan 0.000 0.449 344 L N -2.682 118.492 121.223 -0.081 0.000 2.341 344 L HA 0.096 4.437 4.340 0.001 0.000 0.214 344 L C 1.590 178.171 176.870 -0.482 0.000 1.115 344 L CA 0.736 55.385 54.840 -0.317 0.000 0.820 344 L CB -0.030 41.755 42.059 -0.458 0.000 0.944 344 L HN 0.444 nan 8.230 nan 0.000 0.452 345 F N -2.811 116.986 119.950 -0.254 0.000 2.752 345 F HA 0.140 4.667 4.527 0.001 0.000 0.310 345 F C 0.135 175.458 175.800 -0.794 0.000 1.097 345 F CA -0.201 57.501 58.000 -0.496 0.000 1.238 345 F CB 0.690 39.407 39.000 -0.472 0.000 1.061 345 F HN -0.130 nan 8.300 nan 0.000 0.591 346 Y N -0.965 119.436 120.300 0.168 0.000 2.624 346 Y HA 0.298 4.848 4.550 0.001 0.000 0.302 346 Y C -2.149 173.782 175.900 0.053 0.000 0.939 346 Y CA -1.982 56.179 58.100 0.101 0.000 1.116 346 Y CB -0.164 38.353 38.460 0.095 0.000 1.173 346 Y HN -0.119 nan 8.280 nan 0.000 0.631 347 P HA -0.255 nan 4.420 nan 0.000 0.216 347 P C 1.375 178.741 177.300 0.111 0.000 1.150 347 P CA 2.040 65.190 63.100 0.083 0.000 0.843 347 P CB 0.242 31.956 31.700 0.023 0.000 0.787 348 E N -0.204 120.064 120.200 0.115 0.000 2.209 348 E HA -0.208 4.142 4.350 0.001 0.000 0.196 348 E C 1.425 178.104 176.600 0.131 0.000 0.993 348 E CA 0.921 57.387 56.400 0.110 0.000 0.819 348 E CB -0.474 29.291 29.700 0.109 0.000 0.745 348 E HN 0.198 nan 8.360 nan 0.000 0.477 349 R N 0.723 121.327 120.500 0.173 0.000 2.308 349 R HA 0.212 4.553 4.340 0.001 0.000 0.202 349 R C 0.173 176.630 176.300 0.262 0.000 0.898 349 R CA 0.128 56.344 56.100 0.193 0.000 1.046 349 R CB 0.624 31.038 30.300 0.190 0.000 1.026 349 R HN 0.044 nan 8.270 nan 0.000 0.512 350 V N 2.871 122.924 119.914 0.232 0.000 2.318 350 V HA 0.198 4.319 4.120 0.001 0.000 0.271 350 V C 1.343 177.566 176.094 0.215 0.000 1.030 350 V CA -0.512 61.967 62.300 0.299 0.000 0.844 350 V CB 1.557 33.518 31.823 0.229 0.000 1.015 350 V HN 0.005 nan 8.190 nan 0.000 0.460 351 R N 4.311 124.925 120.500 0.191 0.000 2.092 351 R HA 0.180 4.521 4.340 0.001 0.000 0.231 351 R C 0.527 176.891 176.300 0.107 0.000 1.119 351 R CA 1.517 57.681 56.100 0.107 0.000 0.970 351 R CB 0.056 30.390 30.300 0.057 0.000 0.864 351 R HN 0.847 nan 8.270 nan 0.000 0.440 352 A N -1.343 121.583 122.820 0.176 0.000 2.594 352 A HA 0.557 4.877 4.320 0.001 0.000 0.296 352 A C -1.761 176.076 177.584 0.423 0.000 1.061 352 A CA -0.361 51.832 52.037 0.261 0.000 0.689 352 A CB 1.478 20.492 19.000 0.024 0.000 1.280 352 A HN 0.063 nan 8.150 nan 0.000 0.406 353 V N 0.549 120.747 119.914 0.473 0.000 2.735 353 V HA 0.937 5.058 4.120 0.001 0.000 0.310 353 V C -0.344 175.743 176.094 -0.012 0.000 1.061 353 V CA 0.256 62.706 62.300 0.250 0.000 0.913 353 V CB 1.603 33.504 31.823 0.129 0.000 1.005 353 V HN 2.351 nan 8.190 nan 0.000 0.428 354 A N 4.214 126.862 122.820 -0.288 0.000 2.488 354 A HA 0.845 5.166 4.320 0.001 0.000 0.298 354 A C -0.803 176.490 177.584 -0.486 0.000 1.044 354 A CA -0.198 51.481 52.037 -0.597 0.000 0.693 354 A CB 2.089 20.540 19.000 -0.915 0.000 1.272 354 A HN 1.249 nan 8.150 nan 0.000 0.402 355 S N 1.524 116.929 115.700 -0.491 0.000 2.536 355 S HA 0.808 5.279 4.470 0.001 0.000 0.298 355 S C -1.069 173.506 174.600 -0.040 0.000 1.083 355 S CA -0.530 57.491 58.200 -0.299 0.000 0.995 355 S CB 0.713 63.626 63.200 -0.477 0.000 1.058 355 S HN 0.648 nan 8.310 nan 0.000 0.488 356 L N 4.746 126.007 121.223 0.063 0.000 2.313 356 L HA 0.559 4.900 4.340 0.001 0.000 0.283 356 L C 1.013 177.945 176.870 0.102 0.000 1.013 356 L CA -0.600 54.308 54.840 0.113 0.000 0.816 356 L CB 1.156 43.334 42.059 0.198 0.000 1.236 356 L HN 0.983 nan 8.230 nan 0.000 0.419 357 N N 0.199 118.954 118.700 0.093 0.000 1.922 357 N HA -0.204 4.536 4.740 0.001 0.000 0.219 357 N C 0.169 175.754 175.510 0.125 0.000 0.931 357 N CA 1.939 55.037 53.050 0.080 0.000 3.603 357 N CB -0.845 37.653 38.487 0.018 0.000 0.737 357 N HN 0.642 nan 8.380 nan 0.000 0.353 358 T N 4.498 119.130 114.554 0.129 0.000 2.752 358 T HA 0.295 4.646 4.350 0.001 0.000 0.295 358 T C -2.146 172.818 174.700 0.441 0.000 0.923 358 T CA -0.607 61.624 62.100 0.218 0.000 1.112 358 T CB 1.733 70.707 68.868 0.177 0.000 0.884 358 T HN 0.195 nan 8.240 nan 0.000 0.525 359 P HA 0.367 nan 4.420 nan 0.000 0.281 359 P C -0.879 176.573 177.300 0.255 0.000 1.264 359 P CA -0.885 62.431 63.100 0.361 0.000 0.824 359 P CB 0.883 32.698 31.700 0.192 0.000 1.092 360 F N 2.627 122.380 119.950 -0.329 0.000 2.404 360 F HA 0.485 5.012 4.527 0.001 0.000 0.358 360 F C -0.589 175.112 175.800 -0.165 0.000 1.120 360 F CA -0.784 56.865 58.000 -0.584 0.000 1.144 360 F CB -0.096 38.133 39.000 -1.286 0.000 1.133 360 F HN 0.078 nan 8.300 nan 0.000 0.495 361 I N 8.972 129.088 120.570 -0.758 0.000 2.468 361 I HA 0.268 4.439 4.170 0.001 0.000 0.284 361 I C -2.079 173.588 176.117 -0.749 0.000 1.038 361 I CA -2.042 58.908 61.300 -0.582 0.000 1.083 361 I CB 1.778 39.674 38.000 -0.174 0.000 1.223 361 I HN 0.474 nan 8.210 nan 0.000 0.443 362 P HA 0.067 nan 4.420 nan 0.000 0.268 362 P C -0.336 176.826 177.300 -0.231 0.000 1.208 362 P CA -0.274 62.440 63.100 -0.645 0.000 0.777 362 P CB 0.832 32.043 31.700 -0.816 0.000 0.875 363 A N 2.500 125.281 122.820 -0.064 0.000 2.425 363 A HA 0.095 4.416 4.320 0.001 0.000 0.249 363 A C 0.737 178.388 177.584 0.112 0.000 1.084 363 A CA -0.383 51.728 52.037 0.123 0.000 0.781 363 A CB -0.368 18.771 19.000 0.233 0.000 1.019 363 A HN 0.647 nan 8.150 nan 0.000 0.490 364 N N 3.500 122.316 118.700 0.193 0.000 2.401 364 N HA 0.119 4.860 4.740 0.001 0.000 0.255 364 N C -1.535 174.174 175.510 0.332 0.000 1.110 364 N CA -1.839 51.308 53.050 0.161 0.000 0.949 364 N CB 1.150 39.693 38.487 0.093 0.000 1.110 364 N HN 0.359 nan 8.380 nan 0.000 0.490 365 P HA -0.115 nan 4.420 nan 0.000 0.223 365 P C 0.252 177.735 177.300 0.306 0.000 1.144 365 P CA 1.098 64.321 63.100 0.205 0.000 0.783 365 P CB 0.662 32.393 31.700 0.051 0.000 0.771 366 N N -0.274 118.560 118.700 0.224 0.000 2.319 366 N HA 0.044 4.784 4.740 0.001 0.000 0.189 366 N C 1.203 176.787 175.510 0.123 0.000 1.042 366 N CA 0.219 53.367 53.050 0.164 0.000 0.879 366 N CB -0.665 37.872 38.487 0.083 0.000 1.052 366 N HN 0.188 nan 8.380 nan 0.000 0.446 367 M N 2.360 121.983 119.600 0.038 0.000 2.217 367 M HA 0.066 4.547 4.480 0.001 0.000 0.354 367 M C 0.278 176.378 176.300 -0.333 0.000 1.225 367 M CA -0.229 55.013 55.300 -0.096 0.000 1.137 367 M CB 0.709 33.264 32.600 -0.076 0.000 1.576 367 M HN 0.172 nan 8.290 nan 0.000 0.461 368 S N 4.770 120.167 115.700 -0.505 0.000 2.592 368 S HA 0.339 4.809 4.470 0.001 0.000 0.271 368 S C -2.219 172.004 174.600 -0.628 0.000 1.326 368 S CA -1.121 56.517 58.200 -0.936 0.000 1.024 368 S CB 0.672 63.478 63.200 -0.655 0.000 0.921 368 S HN 0.602 nan 8.310 nan 0.000 0.527 369 P HA -0.117 nan 4.420 nan 0.000 0.214 369 P C 1.625 178.798 177.300 -0.210 0.000 1.163 369 P CA 1.135 64.047 63.100 -0.314 0.000 0.889 369 P CB -0.117 31.471 31.700 -0.186 0.000 0.790 370 L N -0.518 120.589 121.223 -0.192 0.000 2.034 370 L HA -0.277 4.063 4.340 0.001 0.000 0.217 370 L C 2.403 179.202 176.870 -0.118 0.000 1.077 370 L CA 1.863 56.626 54.840 -0.129 0.000 0.769 370 L CB -1.080 40.913 42.059 -0.110 0.000 0.890 370 L HN 0.088 nan 8.230 nan 0.000 0.435 371 E N -0.485 119.630 120.200 -0.142 0.000 2.031 371 E HA -0.175 4.176 4.350 0.001 0.000 0.193 371 E C 2.284 178.834 176.600 -0.084 0.000 0.994 371 E CA 1.457 57.794 56.400 -0.106 0.000 0.800 371 E CB -0.162 29.467 29.700 -0.118 0.000 0.752 371 E HN 0.348 nan 8.360 nan 0.000 0.447 372 S N 1.149 116.787 115.700 -0.104 0.000 2.368 372 S HA -0.211 4.260 4.470 0.001 0.000 0.226 372 S C 2.083 176.666 174.600 -0.029 0.000 1.044 372 S CA 1.264 59.424 58.200 -0.066 0.000 1.062 372 S CB -0.354 62.795 63.200 -0.086 0.000 0.931 372 S HN 0.207 nan 8.310 nan 0.000 0.440 373 I N 1.195 121.727 120.570 -0.063 0.000 2.361 373 I HA -0.183 3.988 4.170 0.001 0.000 0.251 373 I C 2.225 178.352 176.117 0.016 0.000 1.133 373 I CA 1.121 62.400 61.300 -0.036 0.000 1.413 373 I CB -0.291 37.623 38.000 -0.143 0.000 1.073 373 I HN 0.232 nan 8.210 nan 0.000 0.424 374 K N 0.936 121.324 120.400 -0.020 0.000 2.283 374 K HA -0.035 4.285 4.320 0.001 0.000 0.202 374 K C 1.633 178.237 176.600 0.008 0.000 1.048 374 K CA 1.071 57.350 56.287 -0.014 0.000 0.948 374 K CB -0.082 32.400 32.500 -0.031 0.000 0.742 374 K HN 0.274 nan 8.250 nan 0.000 0.458 375 A N 1.363 124.193 122.820 0.018 0.000 2.359 375 A HA 0.034 4.355 4.320 0.001 0.000 0.240 375 A C -0.053 177.563 177.584 0.052 0.000 1.306 375 A CA -0.051 52.001 52.037 0.025 0.000 0.898 375 A CB -0.467 18.541 19.000 0.013 0.000 0.956 375 A HN 0.302 nan 8.150 nan 0.000 0.497 376 N N -0.230 118.520 118.700 0.083 0.000 2.607 376 N HA 0.278 5.019 4.740 0.001 0.000 0.271 376 N C -2.499 173.039 175.510 0.045 0.000 1.142 376 N CA -1.548 51.553 53.050 0.085 0.000 0.810 376 N CB 1.472 40.096 38.487 0.228 0.000 1.306 376 N HN -0.202 nan 8.380 nan 0.000 0.536 377 P HA -0.259 nan 4.420 nan 0.000 0.219 377 P C 1.388 178.714 177.300 0.044 0.000 1.161 377 P CA 0.916 64.039 63.100 0.038 0.000 0.909 377 P CB 0.316 32.043 31.700 0.044 0.000 0.793 378 V N -1.929 117.953 119.914 -0.053 0.000 2.688 378 V HA -0.179 3.941 4.120 0.001 0.000 0.256 378 V C 1.264 177.359 176.094 0.000 0.000 1.084 378 V CA 1.564 63.822 62.300 -0.070 0.000 1.103 378 V CB -1.113 30.567 31.823 -0.239 0.000 0.688 378 V HN -0.045 nan 8.190 nan 0.000 0.480 379 F N 0.244 120.215 119.950 0.035 0.000 2.663 379 F HA 0.211 4.739 4.527 0.001 0.000 0.299 379 F C 1.796 177.369 175.800 -0.379 0.000 1.143 379 F CA -0.246 57.641 58.000 -0.188 0.000 1.387 379 F CB -0.679 38.224 39.000 -0.162 0.000 1.019 379 F HN 0.270 nan 8.300 nan 0.000 0.523 380 D N 0.410 120.796 120.400 -0.023 0.000 2.078 380 D HA -0.265 4.375 4.640 0.001 0.000 0.193 380 D C 2.264 178.425 176.300 -0.232 0.000 0.990 380 D CA 1.843 55.793 54.000 -0.083 0.000 0.827 380 D CB -0.144 40.648 40.800 -0.013 0.000 0.975 380 D HN 0.457 nan 8.370 nan 0.000 0.451 381 Y N 0.926 121.119 120.300 -0.179 0.000 2.219 381 Y HA -0.246 4.305 4.550 0.001 0.000 0.283 381 Y C 2.275 177.774 175.900 -0.667 0.000 1.191 381 Y CA 1.411 59.274 58.100 -0.394 0.000 1.199 381 Y CB -1.123 37.039 38.460 -0.497 0.000 0.972 381 Y HN 0.046 nan 8.280 nan 0.000 0.527 382 Q N 0.670 119.684 119.800 -1.311 0.000 2.181 382 Q HA -0.121 4.220 4.340 0.001 0.000 0.205 382 Q C 2.272 178.045 176.000 -0.378 0.000 0.980 382 Q CA 1.858 57.135 55.803 -0.878 0.000 0.862 382 Q CB -0.252 28.099 28.738 -0.644 0.000 0.905 382 Q HN 0.635 nan 8.270 nan 0.000 0.429 383 L N -0.864 120.197 121.223 -0.271 0.000 2.109 383 L HA -0.150 4.191 4.340 0.001 0.000 0.207 383 L C 2.336 179.192 176.870 -0.023 0.000 1.086 383 L CA 0.829 55.607 54.840 -0.103 0.000 0.760 383 L CB -0.521 41.494 42.059 -0.073 0.000 0.910 383 L HN 0.201 nan 8.230 nan 0.000 0.437 384 Y N 0.248 120.440 120.300 -0.180 0.000 2.333 384 Y HA -0.194 4.357 4.550 0.001 0.000 0.290 384 Y C 2.046 178.015 175.900 0.115 0.000 1.144 384 Y CA 1.046 59.104 58.100 -0.070 0.000 1.228 384 Y CB -0.144 38.249 38.460 -0.112 0.000 0.985 384 Y HN 0.014 nan 8.280 nan 0.000 0.542 385 F N 0.348 120.161 119.950 -0.227 0.000 2.780 385 F HA -0.045 4.483 4.527 0.001 0.000 0.299 385 F C 2.062 177.755 175.800 -0.178 0.000 1.146 385 F CA 0.115 57.936 58.000 -0.299 0.000 1.428 385 F CB -0.747 38.048 39.000 -0.341 0.000 1.115 385 F HN 0.151 nan 8.300 nan 0.000 0.583 386 Q N 0.493 120.325 119.800 0.054 0.000 2.020 386 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 386 Q C 0.824 176.826 176.000 0.003 0.000 0.982 386 Q CA 0.897 56.722 55.803 0.036 0.000 0.838 386 Q CB -0.684 28.065 28.738 0.019 0.000 0.899 386 Q HN 0.247 nan 8.270 nan 0.000 0.423 387 E N 2.470 122.654 120.200 -0.026 0.000 2.238 387 E HA 0.081 4.432 4.350 0.001 0.000 0.264 387 E C -2.380 174.190 176.600 -0.051 0.000 1.136 387 E CA -1.987 54.393 56.400 -0.033 0.000 0.929 387 E CB 0.467 30.147 29.700 -0.033 0.000 1.010 387 E HN -0.045 nan 8.360 nan 0.000 0.440 388 P HA 0.053 nan 4.420 nan 0.000 0.264 388 P C 0.685 177.961 177.300 -0.040 0.000 1.183 388 P CA 1.170 64.251 63.100 -0.032 0.000 0.763 388 P CB 0.866 32.558 31.700 -0.014 0.000 0.807 389 G N 1.063 109.834 108.800 -0.049 0.000 2.527 389 G HA2 -0.336 3.624 3.960 0.001 0.000 0.218 389 G HA3 -0.336 3.624 3.960 0.001 0.000 0.218 389 G C 1.084 175.939 174.900 -0.075 0.000 1.177 389 G CA 0.229 45.302 45.100 -0.045 0.000 0.695 389 G HN 0.368 nan 8.290 nan 0.000 0.517 390 V N 1.973 121.827 119.914 -0.100 0.000 2.217 390 V HA -0.071 4.049 4.120 0.001 0.000 0.248 390 V C 3.403 179.368 176.094 -0.215 0.000 1.050 390 V CA 3.888 66.106 62.300 -0.137 0.000 1.007 390 V CB -1.491 30.220 31.823 -0.187 0.000 0.639 390 V HN 1.392 nan 8.190 nan 0.000 0.452 391 A N -0.684 121.905 122.820 -0.384 0.000 1.940 391 A HA -0.278 4.043 4.320 0.001 0.000 0.219 391 A C 2.063 179.491 177.584 -0.260 0.000 1.176 391 A CA 2.208 54.004 52.037 -0.402 0.000 0.631 391 A CB -0.644 18.068 19.000 -0.481 0.000 0.814 391 A HN 0.651 nan 8.150 nan 0.000 0.446 392 E N 0.028 120.122 120.200 -0.176 0.000 2.049 392 E HA -0.125 4.226 4.350 0.001 0.000 0.198 392 E C 2.319 178.846 176.600 -0.122 0.000 1.007 392 E CA 1.585 57.924 56.400 -0.102 0.000 0.809 392 E CB -0.504 29.182 29.700 -0.023 0.000 0.749 392 E HN 0.597 nan 8.360 nan 0.000 0.450 393 A N 0.816 123.583 122.820 -0.089 0.000 1.883 393 A HA -0.322 3.998 4.320 0.001 0.000 0.217 393 A C 2.211 179.749 177.584 -0.076 0.000 1.186 393 A CA 2.032 54.033 52.037 -0.060 0.000 0.624 393 A CB -0.651 18.329 19.000 -0.033 0.000 0.822 393 A HN 0.348 nan 8.150 nan 0.000 0.444 394 E N -0.258 119.887 120.200 -0.091 0.000 2.028 394 E HA -0.129 4.222 4.350 0.001 0.000 0.191 394 E C 1.949 178.475 176.600 -0.124 0.000 0.988 394 E CA 1.027 57.379 56.400 -0.080 0.000 0.799 394 E CB -0.228 29.418 29.700 -0.092 0.000 0.755 394 E HN 0.597 nan 8.360 nan 0.000 0.447 395 L N 0.503 121.528 121.223 -0.331 0.000 2.191 395 L HA -0.150 4.191 4.340 0.001 0.000 0.212 395 L C 2.185 178.671 176.870 -0.640 0.000 1.103 395 L CA 1.144 55.615 54.840 -0.615 0.000 0.769 395 L CB -0.184 41.107 42.059 -1.280 0.000 0.908 395 L HN 0.192 nan 8.230 nan 0.000 0.438 396 E N -1.023 118.954 120.200 -0.372 0.000 2.340 396 E HA -0.140 4.211 4.350 0.001 0.000 0.194 396 E C 2.002 178.571 176.600 -0.052 0.000 0.996 396 E CA -0.069 56.251 56.400 -0.133 0.000 0.869 396 E CB 0.182 29.875 29.700 -0.012 0.000 0.835 396 E HN 0.365 nan 8.360 nan 0.000 0.493 397 Q N 0.985 120.755 119.800 -0.049 0.000 2.029 397 Q HA -0.193 4.147 4.340 0.001 0.000 0.209 397 Q C 0.502 176.492 176.000 -0.018 0.000 0.999 397 Q CA 1.171 56.965 55.803 -0.014 0.000 0.857 397 Q CB 0.099 28.841 28.738 0.008 0.000 0.926 397 Q HN 0.042 nan 8.270 nan 0.000 0.415 398 N N -0.407 118.269 118.700 -0.040 0.000 2.617 398 N HA 0.131 4.872 4.740 0.001 0.000 0.263 398 N C 0.538 175.984 175.510 -0.106 0.000 1.074 398 N CA -0.046 52.967 53.050 -0.062 0.000 0.841 398 N CB 0.886 39.321 38.487 -0.086 0.000 1.221 398 N HN 0.185 nan 8.380 nan 0.000 0.529 399 L N 1.096 122.292 121.223 -0.045 0.000 2.012 399 L HA -0.158 4.183 4.340 0.001 0.000 0.210 399 L C 2.307 179.150 176.870 -0.045 0.000 1.073 399 L CA 1.185 56.006 54.840 -0.033 0.000 0.748 399 L CB -0.515 41.640 42.059 0.160 0.000 0.891 399 L HN 0.475 nan 8.230 nan 0.000 0.431 400 S N -0.197 115.508 115.700 0.009 0.000 2.365 400 S HA -0.283 4.187 4.470 0.001 0.000 0.225 400 S C 2.232 176.764 174.600 -0.114 0.000 1.039 400 S CA 1.740 59.944 58.200 0.006 0.000 1.033 400 S CB -0.246 62.952 63.200 -0.003 0.000 0.887 400 S HN 0.324 nan 8.310 nan 0.000 0.447 401 R N -0.220 120.165 120.500 -0.192 0.000 2.073 401 R HA -0.091 4.250 4.340 0.001 0.000 0.234 401 R C 2.276 178.262 176.300 -0.525 0.000 1.134 401 R CA 1.989 57.897 56.100 -0.320 0.000 0.952 401 R CB -1.009 29.095 30.300 -0.327 0.000 0.850 401 R HN 0.445 nan 8.270 nan 0.000 0.433 402 T N 0.785 114.996 114.554 -0.572 0.000 2.635 402 T HA -0.168 4.182 4.350 0.001 0.000 0.267 402 T C 1.470 175.725 174.700 -0.742 0.000 1.040 402 T CA 1.903 63.586 62.100 -0.695 0.000 1.156 402 T CB -0.324 68.162 68.868 -0.637 0.000 0.863 402 T HN 0.177 nan 8.240 nan 0.000 0.430 403 F N 1.263 120.899 119.950 -0.524 0.000 2.206 403 F HA 0.129 4.656 4.527 0.001 0.000 0.298 403 F C 2.339 177.706 175.800 -0.721 0.000 1.090 403 F CA 0.613 58.087 58.000 -0.876 0.000 1.323 403 F CB -0.372 38.165 39.000 -0.771 0.000 1.028 403 F HN 0.061 nan 8.300 nan 0.000 0.492 404 K N -0.375 119.863 120.400 -0.269 0.000 2.148 404 K HA -0.076 4.245 4.320 0.001 0.000 0.204 404 K C 2.139 178.599 176.600 -0.232 0.000 1.050 404 K CA 1.383 57.554 56.287 -0.193 0.000 0.942 404 K CB -0.268 32.148 32.500 -0.140 0.000 0.724 404 K HN 0.098 nan 8.250 nan 0.000 0.446 405 S N 1.053 116.552 115.700 -0.336 0.000 2.436 405 S HA 0.026 4.496 4.470 0.001 0.000 0.228 405 S C 1.812 176.312 174.600 -0.166 0.000 1.014 405 S CA 0.712 58.738 58.200 -0.290 0.000 0.950 405 S CB 0.025 62.902 63.200 -0.539 0.000 0.784 405 S HN 0.167 nan 8.310 nan 0.000 0.504 406 L N -0.267 120.782 121.223 -0.290 0.000 2.121 406 L HA 0.170 4.511 4.340 0.001 0.000 0.200 406 L C 0.053 176.768 176.870 -0.258 0.000 1.077 406 L CA 0.446 55.170 54.840 -0.194 0.000 0.766 406 L CB -0.400 41.404 42.059 -0.425 0.000 0.931 406 L HN 0.217 nan 8.230 nan 0.000 0.452 407 F N 2.665 122.237 119.950 -0.630 0.000 2.604 407 F HA 0.201 4.728 4.527 0.001 0.000 0.337 407 F C 0.502 176.099 175.800 -0.337 0.000 1.294 407 F CA 0.029 57.522 58.000 -0.845 0.000 1.066 407 F CB -1.258 37.302 39.000 -0.733 0.000 1.391 407 F HN 0.045 nan 8.300 nan 0.000 0.652 408 R N 0.667 121.210 120.500 0.071 0.000 2.740 408 R HA 0.780 5.121 4.340 0.001 0.000 0.273 408 R C -0.447 176.001 176.300 0.246 0.000 0.998 408 R CA -1.168 55.018 56.100 0.143 0.000 0.900 408 R CB 2.047 32.422 30.300 0.125 0.000 1.223 408 R HN 0.459 nan 8.270 nan 0.000 0.466 409 A N 0.692 123.602 122.820 0.151 0.000 2.296 409 A HA 0.225 4.545 4.320 0.001 0.000 0.264 409 A C 1.300 178.957 177.584 0.121 0.000 1.097 409 A CA 0.161 52.273 52.037 0.125 0.000 0.811 409 A CB 0.332 19.370 19.000 0.063 0.000 1.072 409 A HN 0.926 nan 8.150 nan 0.000 0.495 410 S N 0.410 116.151 115.700 0.069 0.000 2.381 410 S HA -0.249 4.221 4.470 0.001 0.000 0.230 410 S C 0.601 175.296 174.600 0.158 0.000 1.052 410 S CA 1.778 60.024 58.200 0.077 0.000 1.068 410 S CB -0.855 62.352 63.200 0.011 0.000 0.918 410 S HN 0.869 nan 8.310 nan 0.000 0.448 411 D N 0.889 121.356 120.400 0.112 0.000 2.943 411 D HA 0.391 5.031 4.640 0.001 0.000 0.249 411 D C 0.247 176.595 176.300 0.081 0.000 1.231 411 D CA -0.351 53.709 54.000 0.099 0.000 0.979 411 D CB 0.008 40.851 40.800 0.072 0.000 1.053 411 D HN 0.660 nan 8.370 nan 0.000 0.504 412 E N -0.809 119.448 120.200 0.096 0.000 2.566 412 E HA -0.000 4.350 4.350 0.001 0.000 0.193 412 E C 0.342 176.992 176.600 0.084 0.000 0.945 412 E CA -0.203 56.243 56.400 0.076 0.000 1.449 412 E CB 0.495 30.238 29.700 0.071 0.000 1.654 412 E HN 0.221 nan 8.360 nan 0.000 0.844 416 L N 0.964 122.247 121.223 0.100 0.000 2.426 416 L HA 0.991 5.332 4.340 0.001 0.000 0.260 416 L C 0.002 176.935 176.870 0.106 0.000 1.233 416 L CA -0.262 54.648 54.840 0.117 0.000 1.267 416 L CB 1.938 44.091 42.059 0.157 0.000 1.814 416 L HN 0.350 nan 8.230 nan 0.000 0.561 417 S N -0.781 114.982 115.700 0.104 0.000 2.317 417 S HA 0.191 4.661 4.470 0.001 0.000 0.208 417 S C 0.008 174.683 174.600 0.124 0.000 0.849 417 S CA -0.670 57.615 58.200 0.141 0.000 1.042 417 S CB 0.437 63.744 63.200 0.178 0.000 1.316 417 S HN 0.412 nan 8.310 nan 0.000 0.386 418 M N 2.147 121.808 119.600 0.101 0.000 2.530 418 M HA -0.034 4.447 4.480 0.001 0.000 0.261 418 M C 1.007 177.425 176.300 0.197 0.000 1.067 418 M CA 1.175 56.527 55.300 0.086 0.000 1.071 418 M CB -1.686 30.907 32.600 -0.011 0.000 1.405 418 M HN 0.944 nan 8.290 nan 0.000 0.478 419 H N 0.900 119.984 119.070 0.023 0.000 2.519 419 H HA 0.313 4.869 4.556 0.001 0.000 0.316 419 H C -0.386 174.928 175.328 -0.023 0.000 1.065 419 H CA -0.142 55.907 56.048 0.003 0.000 1.264 419 H CB 0.864 30.614 29.762 -0.020 0.000 1.413 419 H HN -0.053 nan 8.280 nan 0.000 0.465 420 K N 3.872 124.118 120.400 -0.257 0.000 4.132 420 K HA -0.088 4.233 4.320 0.001 0.000 0.335 420 K C -0.183 176.275 176.600 -0.238 0.000 1.113 420 K CA 0.708 56.811 56.287 -0.306 0.000 0.999 420 K CB -2.030 30.175 32.500 -0.492 0.000 1.483 420 K HN 0.545 nan 8.250 nan 0.000 0.434 421 V N -1.485 118.303 119.914 -0.210 0.000 3.151 421 V HA -0.075 4.046 4.120 0.001 0.000 0.241 421 V C 2.197 178.085 176.094 -0.344 0.000 1.173 421 V CA 1.077 63.189 62.300 -0.313 0.000 1.154 421 V CB 0.455 32.047 31.823 -0.385 0.000 0.898 421 V HN 0.665 nan 8.190 nan 0.000 0.473 422 C N 0.455 119.630 119.300 -0.208 0.000 2.429 422 C HA -0.159 4.302 4.460 0.001 0.000 0.277 422 C C 2.720 177.644 174.990 -0.109 0.000 1.262 422 C CA 1.887 60.838 59.018 -0.111 0.000 1.733 422 C CB -0.536 27.177 27.740 -0.044 0.000 2.010 422 C HN 0.710 nan 8.230 nan 0.000 0.483 423 E N 1.026 121.152 120.200 -0.122 0.000 2.015 423 E HA -0.159 4.192 4.350 0.001 0.000 0.191 423 E C 2.259 178.791 176.600 -0.113 0.000 0.991 423 E CA 1.311 57.649 56.400 -0.105 0.000 0.802 423 E CB -0.269 29.364 29.700 -0.113 0.000 0.759 423 E HN 0.521 nan 8.360 nan 0.000 0.447 424 A N 0.114 122.846 122.820 -0.148 0.000 1.978 424 A HA -0.076 4.245 4.320 0.001 0.000 0.220 424 A C 2.044 179.548 177.584 -0.132 0.000 1.170 424 A CA 2.178 54.133 52.037 -0.136 0.000 0.636 424 A CB -0.820 18.085 19.000 -0.158 0.000 0.810 424 A HN 0.665 nan 8.150 nan 0.000 0.448 425 G N -3.643 105.053 108.800 -0.173 0.000 2.195 425 G HA2 0.275 4.235 3.960 0.001 0.000 0.224 425 G HA3 0.275 4.235 3.960 0.001 0.000 0.224 425 G C 0.799 175.574 174.900 -0.208 0.000 0.990 425 G CA 0.399 45.420 45.100 -0.133 0.000 0.639 425 G HN 2.060 nan 8.290 nan 0.000 0.514 426 G N -1.697 106.873 108.800 -0.382 0.000 2.506 426 G HA2 0.572 4.533 3.960 0.001 0.000 0.292 426 G HA3 0.572 4.533 3.960 0.001 0.000 0.292 426 G C 0.460 175.037 174.900 -0.537 0.000 1.425 426 G CA -0.137 44.660 45.100 -0.505 0.000 0.788 426 G HN 0.567 nan 8.290 nan 0.000 0.490 427 L N -0.816 120.078 121.223 -0.548 0.000 2.179 427 L HA 0.227 4.568 4.340 0.001 0.000 0.208 427 L C 1.687 178.405 176.870 -0.254 0.000 1.096 427 L CA 1.090 55.649 54.840 -0.469 0.000 0.779 427 L CB -0.133 41.568 42.059 -0.596 0.000 0.922 427 L HN 0.517 nan 8.230 nan 0.000 0.443 428 F N -2.669 117.249 119.950 -0.053 0.000 2.639 428 F HA 0.109 4.637 4.527 0.001 0.000 0.302 428 F C 1.834 177.601 175.800 -0.054 0.000 1.097 428 F CA -0.625 57.344 58.000 -0.053 0.000 1.294 428 F CB 0.008 38.972 39.000 -0.059 0.000 1.027 428 F HN -0.259 nan 8.300 nan 0.000 0.550 429 V N 0.711 120.650 119.914 0.042 0.000 2.277 429 V HA -0.359 3.762 4.120 0.001 0.000 0.255 429 V C 1.091 177.199 176.094 0.024 0.000 1.074 429 V CA 1.857 64.161 62.300 0.007 0.000 1.058 429 V CB -0.400 31.391 31.823 -0.054 0.000 0.656 429 V HN 0.473 nan 8.190 nan 0.000 0.449 430 N N 0.141 118.858 118.700 0.028 0.000 2.660 430 N HA 0.253 4.994 4.740 0.001 0.000 0.316 430 N C -0.685 174.847 175.510 0.037 0.000 1.774 430 N CA 0.077 53.141 53.050 0.023 0.000 0.946 430 N CB 1.277 39.767 38.487 0.005 0.000 1.322 430 N HN 0.334 nan 8.380 nan 0.000 0.492 431 S N 1.408 117.141 115.700 0.054 0.000 2.532 431 S HA 0.550 5.021 4.470 0.001 0.000 0.301 431 S C -2.301 172.291 174.600 -0.014 0.000 1.083 431 S CA -0.976 57.242 58.200 0.031 0.000 1.025 431 S CB 2.408 65.646 63.200 0.063 0.000 1.056 431 S HN 0.203 nan 8.310 nan 0.000 0.494 432 P HA 0.129 nan 4.420 nan 0.000 0.267 432 P C 0.369 177.620 177.300 -0.081 0.000 1.200 432 P CA -0.092 62.978 63.100 -0.050 0.000 0.772 432 P CB 0.729 32.400 31.700 -0.049 0.000 0.855 433 E N 1.192 121.354 120.200 -0.063 0.000 2.107 433 E HA -0.098 4.253 4.350 0.001 0.000 0.191 433 E C 0.139 176.683 176.600 -0.094 0.000 0.982 433 E CA 1.263 57.618 56.400 -0.075 0.000 0.809 433 E CB 0.234 29.907 29.700 -0.046 0.000 0.756 433 E HN 0.616 nan 8.360 nan 0.000 0.459 434 E N 1.468 121.623 120.200 -0.075 0.000 2.267 434 E HA 0.254 4.604 4.350 0.001 0.000 0.241 434 E C -2.418 174.137 176.600 -0.075 0.000 0.950 434 E CA -1.747 54.610 56.400 -0.072 0.000 0.776 434 E CB 1.251 30.922 29.700 -0.047 0.000 1.207 434 E HN 0.004 nan 8.360 nan 0.000 0.436 435 P HA -0.059 nan 4.420 nan 0.000 0.269 435 P C 0.107 177.369 177.300 -0.064 0.000 1.209 435 P CA -0.091 62.952 63.100 -0.095 0.000 0.776 435 P CB 0.783 32.396 31.700 -0.145 0.000 0.876 436 S N 2.740 118.414 115.700 -0.043 0.000 2.612 436 S HA 0.101 4.571 4.470 0.001 0.000 0.253 436 S C 0.034 174.619 174.600 -0.026 0.000 1.346 436 S CA -0.491 57.693 58.200 -0.027 0.000 0.976 436 S CB 0.022 63.214 63.200 -0.014 0.000 0.949 436 S HN 0.329 nan 8.310 nan 0.000 0.584 437 L N 2.345 123.560 121.223 -0.013 0.000 2.261 437 L HA 0.426 4.766 4.340 0.001 0.000 0.289 437 L C 0.543 177.414 176.870 0.002 0.000 1.059 437 L CA 0.335 55.172 54.840 -0.005 0.000 0.816 437 L CB 0.684 42.744 42.059 0.002 0.000 1.191 437 L HN 0.922 nan 8.230 nan 0.000 0.431 438 S N 4.420 120.122 115.700 0.003 0.000 2.566 438 S HA 0.068 4.539 4.470 0.001 0.000 0.280 438 S C 1.571 176.179 174.600 0.014 0.000 1.343 438 S CA 0.196 58.403 58.200 0.012 0.000 1.036 438 S CB 0.475 63.685 63.200 0.017 0.000 0.866 438 S HN 0.809 nan 8.310 nan 0.000 0.526 439 R N 3.312 123.820 120.500 0.013 0.000 2.235 439 R HA -0.006 4.335 4.340 0.001 0.000 0.213 439 R C 1.725 178.028 176.300 0.004 0.000 1.059 439 R CA 1.304 57.409 56.100 0.008 0.000 0.997 439 R CB -0.356 29.946 30.300 0.004 0.000 0.884 439 R HN 0.678 nan 8.270 nan 0.000 0.462 440 M N 0.938 120.541 119.600 0.005 0.000 2.334 440 M HA 0.108 4.589 4.480 0.001 0.000 0.266 440 M C 0.099 176.406 176.300 0.012 0.000 1.082 440 M CA 0.575 55.873 55.300 -0.003 0.000 1.141 440 M CB 0.584 33.175 32.600 -0.015 0.000 1.380 440 M HN -0.098 nan 8.290 nan 0.000 0.440 441 V N 0.566 120.490 119.914 0.017 0.000 2.680 441 V HA 0.298 4.418 4.120 0.001 0.000 0.309 441 V C 0.228 176.351 176.094 0.047 0.000 1.052 441 V CA -1.016 61.306 62.300 0.035 0.000 0.908 441 V CB 1.756 33.605 31.823 0.042 0.000 1.001 441 V HN 0.343 nan 8.190 nan 0.000 0.431 442 T N -0.309 114.281 114.554 0.060 0.000 2.899 442 T HA 0.302 4.653 4.350 0.001 0.000 0.284 442 T C 0.929 175.668 174.700 0.065 0.000 1.004 442 T CA -0.110 62.023 62.100 0.055 0.000 1.043 442 T CB 1.573 70.474 68.868 0.054 0.000 1.013 442 T HN 0.671 nan 8.240 nan 0.000 0.518 443 E N 0.727 120.957 120.200 0.050 0.000 2.118 443 E HA -0.166 4.185 4.350 0.001 0.000 0.195 443 E C 1.759 178.399 176.600 0.066 0.000 0.992 443 E CA 1.644 58.074 56.400 0.049 0.000 0.804 443 E CB -0.402 29.318 29.700 0.034 0.000 0.741 443 E HN 0.793 nan 8.360 nan 0.000 0.458 444 E N 0.666 120.906 120.200 0.066 0.000 2.051 444 E HA -0.177 4.174 4.350 0.001 0.000 0.192 444 E C 2.056 178.723 176.600 0.111 0.000 0.991 444 E CA 1.656 58.100 56.400 0.073 0.000 0.799 444 E CB -0.242 29.493 29.700 0.059 0.000 0.748 444 E HN 0.457 nan 8.360 nan 0.000 0.449 445 E N 0.235 120.523 120.200 0.146 0.000 2.031 445 E HA -0.172 4.179 4.350 0.001 0.000 0.193 445 E C 2.053 178.855 176.600 0.337 0.000 0.994 445 E CA 0.879 57.435 56.400 0.262 0.000 0.800 445 E CB -0.164 29.695 29.700 0.265 0.000 0.752 445 E HN 0.157 nan 8.360 nan 0.000 0.447 446 I N 1.544 122.261 120.570 0.246 0.000 2.194 446 I HA -0.278 3.893 4.170 0.001 0.000 0.246 446 I C 2.329 178.554 176.117 0.180 0.000 1.093 446 I CA 1.453 62.884 61.300 0.217 0.000 1.355 446 I CB -0.991 37.078 38.000 0.115 0.000 1.046 446 I HN 0.195 nan 8.210 nan 0.000 0.413 447 Q N -0.528 119.351 119.800 0.131 0.000 2.234 447 Q HA -0.203 4.137 4.340 0.001 0.000 0.206 447 Q C 2.099 178.122 176.000 0.038 0.000 0.980 447 Q CA 1.269 57.119 55.803 0.079 0.000 0.869 447 Q CB -0.685 28.087 28.738 0.058 0.000 0.912 447 Q HN 0.507 nan 8.270 nan 0.000 0.436 448 F N -0.091 119.795 119.950 -0.105 0.000 2.113 448 F HA -0.224 4.304 4.527 0.001 0.000 0.297 448 F C 1.744 177.381 175.800 -0.272 0.000 1.103 448 F CA 1.159 58.978 58.000 -0.302 0.000 1.248 448 F CB -0.317 38.257 39.000 -0.710 0.000 0.999 448 F HN -0.019 nan 8.300 nan 0.000 0.475 449 Y N -0.248 119.948 120.300 -0.173 0.000 2.181 449 Y HA -0.227 4.324 4.550 0.001 0.000 0.288 449 Y C 2.533 178.271 175.900 -0.271 0.000 1.146 449 Y CA 1.717 59.591 58.100 -0.377 0.000 1.164 449 Y CB -1.128 36.756 38.460 -0.961 0.000 0.982 449 Y HN -0.107 nan 8.280 nan 0.000 0.515 450 V N 0.984 120.900 119.914 0.005 0.000 2.287 450 V HA -0.376 3.745 4.120 0.001 0.000 0.248 450 V C 2.305 178.464 176.094 0.107 0.000 1.053 450 V CA 2.426 64.835 62.300 0.182 0.000 1.027 450 V CB -0.966 30.947 31.823 0.150 0.000 0.646 450 V HN 0.580 nan 8.190 nan 0.000 0.447 451 Q N -0.863 118.900 119.800 -0.060 0.000 2.224 451 Q HA -0.228 4.112 4.340 0.001 0.000 0.203 451 Q C 2.094 177.990 176.000 -0.173 0.000 0.970 451 Q CA 1.305 57.032 55.803 -0.127 0.000 0.865 451 Q CB -0.370 28.240 28.738 -0.214 0.000 0.922 451 Q HN 0.515 nan 8.270 nan 0.000 0.445 452 Q N 0.504 120.149 119.800 -0.259 0.000 2.016 452 Q HA -0.055 4.285 4.340 0.001 0.000 0.200 452 Q C 1.807 177.753 176.000 -0.090 0.000 0.978 452 Q CA 1.230 56.882 55.803 -0.253 0.000 0.833 452 Q CB -0.294 28.255 28.738 -0.314 0.000 0.895 452 Q HN 0.446 nan 8.270 nan 0.000 0.427 453 F N 1.225 121.140 119.950 -0.057 0.000 2.604 453 F HA -0.022 4.506 4.527 0.001 0.000 0.298 453 F C 1.969 177.790 175.800 0.034 0.000 1.131 453 F CA 0.630 58.633 58.000 0.005 0.000 1.457 453 F CB -0.071 39.004 39.000 0.124 0.000 1.095 453 F HN -0.004 nan 8.300 nan 0.000 0.574 454 K N 0.091 120.586 120.400 0.160 0.000 2.504 454 K HA -0.139 4.182 4.320 0.001 0.000 0.195 454 K C 1.987 178.610 176.600 0.039 0.000 1.036 454 K CA 0.520 56.867 56.287 0.100 0.000 0.984 454 K CB 0.097 32.631 32.500 0.057 0.000 0.788 454 K HN 0.263 nan 8.250 nan 0.000 0.488 455 K N 0.107 120.503 120.400 -0.007 0.000 2.057 455 K HA 0.017 4.338 4.320 0.001 0.000 0.209 455 K C 1.590 178.177 176.600 -0.023 0.000 1.028 455 K CA 1.159 57.428 56.287 -0.030 0.000 0.950 455 K CB 0.209 32.671 32.500 -0.064 0.000 0.784 455 K HN -0.136 nan 8.250 nan 0.000 0.448 456 S N -0.004 115.656 115.700 -0.066 0.000 2.535 456 S HA 0.225 4.695 4.470 0.001 0.000 0.214 456 S C 0.505 175.083 174.600 -0.037 0.000 0.980 456 S CA 0.189 58.355 58.200 -0.056 0.000 0.907 456 S CB 0.648 63.797 63.200 -0.086 0.000 0.790 456 S HN 0.742 nan 8.310 nan 0.000 0.510 457 G N 1.596 110.395 108.800 -0.001 0.000 2.598 457 G HA2 -0.257 3.703 3.960 0.001 0.000 0.244 457 G HA3 -0.257 3.703 3.960 0.001 0.000 0.244 457 G C -0.081 174.854 174.900 0.058 0.000 1.302 457 G CA -0.037 45.158 45.100 0.158 0.000 0.903 457 G HN 0.318 nan 8.290 nan 0.000 0.575 458 F N 0.818 120.811 119.950 0.071 0.000 2.664 458 F HA 0.345 4.872 4.527 0.001 0.000 0.303 458 F C 2.372 178.156 175.800 -0.026 0.000 1.092 458 F CA 0.681 58.715 58.000 0.056 0.000 1.305 458 F CB 0.290 39.327 39.000 0.062 0.000 1.054 458 F HN 0.474 nan 8.300 nan 0.000 0.565 459 R N 0.617 121.163 120.500 0.077 0.000 2.061 459 R HA -0.065 4.276 4.340 0.001 0.000 0.230 459 R C 2.533 178.738 176.300 -0.158 0.000 1.140 459 R CA 1.699 57.792 56.100 -0.012 0.000 0.940 459 R CB -0.915 29.384 30.300 -0.001 0.000 0.839 459 R HN 0.347 nan 8.270 nan 0.000 0.429 460 G N 0.929 109.601 108.800 -0.214 0.000 2.491 460 G HA2 -0.212 3.749 3.960 0.001 0.000 0.218 460 G HA3 -0.212 3.749 3.960 0.001 0.000 0.218 460 G C -1.024 173.544 174.900 -0.553 0.000 1.180 460 G CA 0.759 45.553 45.100 -0.510 0.000 0.774 460 G HN 0.362 nan 8.290 nan 0.000 0.562 461 P HA -0.056 nan 4.420 nan 0.000 0.214 461 P C 2.113 179.547 177.300 0.224 0.000 1.163 461 P CA 0.733 63.746 63.100 -0.146 0.000 0.883 461 P CB -0.158 31.340 31.700 -0.335 0.000 0.788 462 L N -0.977 120.371 121.223 0.209 0.000 2.127 462 L HA -0.185 4.156 4.340 0.001 0.000 0.211 462 L C 1.930 178.839 176.870 0.066 0.000 1.089 462 L CA 1.261 56.181 54.840 0.133 0.000 0.757 462 L CB -0.864 41.198 42.059 0.005 0.000 0.899 462 L HN 0.023 nan 8.230 nan 0.000 0.434 463 N N -0.784 117.840 118.700 -0.126 0.000 2.364 463 N HA -0.203 4.538 4.740 0.001 0.000 0.183 463 N C 1.385 176.819 175.510 -0.126 0.000 1.022 463 N CA 1.053 53.990 53.050 -0.188 0.000 0.883 463 N CB -0.292 37.903 38.487 -0.487 0.000 0.965 463 N HN 0.376 nan 8.380 nan 0.000 0.438 464 W N 0.207 121.231 121.300 -0.459 0.000 2.387 464 W HA -0.075 4.586 4.660 0.001 0.000 0.272 464 W C 1.131 177.111 176.519 -0.899 0.000 1.224 464 W CA 0.509 57.382 57.345 -0.786 0.000 1.210 464 W CB -0.704 28.022 29.460 -1.222 0.000 1.125 464 W HN 0.155 nan 8.180 nan 0.000 0.572 465 Y N -0.681 119.548 120.300 -0.118 0.000 2.466 465 Y HA 0.140 4.691 4.550 0.001 0.000 0.272 465 Y C 1.373 177.330 175.900 0.095 0.000 1.169 465 Y CA 0.552 58.736 58.100 0.141 0.000 1.285 465 Y CB -0.233 38.379 38.460 0.253 0.000 1.078 465 Y HN -0.168 nan 8.280 nan 0.000 0.523 466 R N -0.024 120.559 120.500 0.139 0.000 2.633 466 R HA 0.226 4.566 4.340 0.001 0.000 0.348 466 R C 0.044 176.377 176.300 0.054 0.000 1.100 466 R CA 0.076 56.232 56.100 0.093 0.000 1.068 466 R CB 0.021 30.354 30.300 0.056 0.000 1.351 466 R HN 0.156 nan 8.270 nan 0.000 0.575 467 N N 0.221 118.955 118.700 0.057 0.000 2.307 467 N HA 0.118 4.858 4.740 0.001 0.000 0.248 467 N C 0.799 176.368 175.510 0.097 0.000 1.322 467 N CA 0.024 53.098 53.050 0.040 0.000 0.861 467 N CB 0.648 39.114 38.487 -0.035 0.000 1.303 467 N HN 0.130 nan 8.380 nan 0.000 0.498 468 M N 0.324 120.005 119.600 0.135 0.000 2.082 468 M HA -0.152 4.329 4.480 0.001 0.000 0.258 468 M C 1.717 178.132 176.300 0.193 0.000 1.069 468 M CA 1.621 57.019 55.300 0.163 0.000 1.102 468 M CB -0.090 32.579 32.600 0.115 0.000 1.336 468 M HN 0.015 nan 8.290 nan 0.000 0.404 469 E N 0.210 120.505 120.200 0.158 0.000 2.058 469 E HA -0.156 4.194 4.350 0.001 0.000 0.194 469 E C 2.182 178.972 176.600 0.316 0.000 0.997 469 E CA 1.189 57.736 56.400 0.246 0.000 0.801 469 E CB -0.313 29.483 29.700 0.160 0.000 0.746 469 E HN 0.414 nan 8.360 nan 0.000 0.450 470 R N 0.861 121.470 120.500 0.182 0.000 2.066 470 R HA -0.034 4.306 4.340 0.001 0.000 0.232 470 R C 1.931 178.327 176.300 0.160 0.000 1.131 470 R CA 0.780 56.956 56.100 0.126 0.000 0.955 470 R CB -0.910 29.407 30.300 0.028 0.000 0.851 470 R HN 0.222 nan 8.270 nan 0.000 0.432 471 N N 0.192 118.989 118.700 0.162 0.000 2.104 471 N HA -0.205 4.536 4.740 0.001 0.000 0.190 471 N C 1.504 177.185 175.510 0.285 0.000 1.024 471 N CA 1.106 54.273 53.050 0.195 0.000 0.853 471 N CB -0.554 38.026 38.487 0.155 0.000 1.008 471 N HN 0.304 nan 8.380 nan 0.000 0.424 472 W N 2.567 123.930 121.300 0.105 0.000 2.315 472 W HA -0.164 4.497 4.660 0.001 0.000 0.323 472 W C 2.025 178.614 176.519 0.117 0.000 1.233 472 W CA 1.626 59.028 57.345 0.095 0.000 1.267 472 W CB -0.423 29.074 29.460 0.061 0.000 1.160 472 W HN -0.031 nan 8.180 nan 0.000 0.474 473 K N -1.157 119.187 120.400 -0.093 0.000 2.032 473 K HA -0.258 4.062 4.320 0.001 0.000 0.209 473 K C 1.906 178.466 176.600 -0.066 0.000 1.048 473 K CA 1.953 58.054 56.287 -0.311 0.000 0.927 473 K CB -1.164 31.272 32.500 -0.107 0.000 0.712 473 K HN 0.250 nan 8.250 nan 0.000 0.441 474 W N 1.553 122.798 121.300 -0.091 0.000 2.333 474 W HA -0.224 4.436 4.660 0.001 0.000 0.316 474 W C 2.290 178.887 176.519 0.130 0.000 1.215 474 W CA 2.104 59.428 57.345 -0.035 0.000 1.278 474 W CB -0.701 28.681 29.460 -0.129 0.000 1.154 474 W HN 0.116 nan 8.180 nan 0.000 0.486 475 A N -0.707 122.203 122.820 0.150 0.000 1.978 475 A HA -0.246 4.074 4.320 0.001 0.000 0.220 475 A C 1.997 179.597 177.584 0.026 0.000 1.170 475 A CA 1.887 54.050 52.037 0.211 0.000 0.636 475 A CB -1.515 17.723 19.000 0.396 0.000 0.810 475 A HN 0.404 nan 8.150 nan 0.000 0.448 476 C N -0.423 118.804 119.300 -0.121 0.000 2.419 476 C HA -0.069 4.391 4.460 0.001 0.000 0.283 476 C C 2.521 177.408 174.990 -0.170 0.000 1.373 476 C CA 1.215 60.109 59.018 -0.207 0.000 1.781 476 C CB -1.111 26.398 27.740 -0.385 0.000 1.886 476 C HN 0.602 nan 8.230 nan 0.000 0.520 477 K N 1.163 121.485 120.400 -0.131 0.000 2.288 477 K HA -0.072 4.249 4.320 0.001 0.000 0.201 477 K C 1.852 178.299 176.600 -0.254 0.000 1.048 477 K CA 1.561 57.764 56.287 -0.140 0.000 0.956 477 K CB -0.177 32.291 32.500 -0.053 0.000 0.746 477 K HN 0.625 nan 8.250 nan 0.000 0.461 478 S N 0.409 115.928 115.700 -0.301 0.000 2.577 478 S HA 0.138 4.609 4.470 0.001 0.000 0.219 478 S C 1.613 176.013 174.600 -0.333 0.000 0.962 478 S CA -0.200 57.725 58.200 -0.457 0.000 0.921 478 S CB -0.239 62.606 63.200 -0.592 0.000 0.789 478 S HN 0.155 nan 8.310 nan 0.000 0.497 479 L N 0.881 121.941 121.223 -0.271 0.000 2.353 479 L HA 0.071 4.412 4.340 0.001 0.000 0.220 479 L C 2.427 179.123 176.870 -0.290 0.000 1.133 479 L CA 1.142 55.798 54.840 -0.307 0.000 0.798 479 L CB -0.586 41.326 42.059 -0.245 0.000 0.922 479 L HN 0.599 nan 8.230 nan 0.000 0.445 480 G N -0.655 108.011 108.800 -0.223 0.000 3.088 480 G HA2 0.081 4.041 3.960 0.001 0.000 0.217 480 G HA3 0.081 4.041 3.960 0.001 0.000 0.217 480 G C 0.860 175.673 174.900 -0.146 0.000 1.159 480 G CA -0.387 44.619 45.100 -0.156 0.000 0.760 480 G HN 0.220 nan 8.290 nan 0.000 0.550 481 R N -0.276 120.098 120.500 -0.209 0.000 2.527 481 R HA 0.749 5.089 4.340 0.001 0.000 0.243 481 R C -0.518 175.709 176.300 -0.122 0.000 1.206 481 R CA -0.359 55.626 56.100 -0.193 0.000 1.134 481 R CB 0.752 30.868 30.300 -0.306 0.000 1.347 481 R HN -0.080 nan 8.270 nan 0.000 0.580 482 K N 0.534 120.871 120.400 -0.106 0.000 2.557 482 K HA 0.313 4.633 4.320 0.001 0.000 0.257 482 K C -1.120 175.429 176.600 -0.084 0.000 0.933 482 K CA -0.507 55.761 56.287 -0.032 0.000 0.820 482 K CB 2.144 34.672 32.500 0.047 0.000 1.330 482 K HN 0.390 nan 8.250 nan 0.000 0.432 483 I N 4.911 125.415 120.570 -0.110 0.000 2.406 483 I HA 0.031 4.202 4.170 0.001 0.000 0.293 483 I C 0.727 176.855 176.117 0.019 0.000 1.101 483 I CA 0.164 61.411 61.300 -0.088 0.000 1.334 483 I CB 0.182 38.089 38.000 -0.154 0.000 1.421 483 I HN 0.458 nan 8.210 nan 0.000 0.513 484 L N 7.258 128.510 121.223 0.049 0.000 2.766 484 L HA 0.332 4.673 4.340 0.001 0.000 0.242 484 L C 0.688 177.644 176.870 0.142 0.000 1.136 484 L CA -0.101 54.810 54.840 0.118 0.000 0.933 484 L CB -0.072 42.043 42.059 0.094 0.000 1.241 484 L HN 0.555 nan 8.230 nan 0.000 0.522 485 I N -2.955 117.691 120.570 0.125 0.000 2.970 485 I HA 0.463 4.634 4.170 0.001 0.000 0.310 485 I C -2.174 174.060 176.117 0.196 0.000 1.010 485 I CA -2.413 58.969 61.300 0.136 0.000 1.228 485 I CB 0.008 38.085 38.000 0.127 0.000 1.433 485 I HN -0.200 nan 8.210 nan 0.000 0.573 486 P HA 0.165 nan 4.420 nan 0.000 0.262 486 P C -1.065 176.516 177.300 0.467 0.000 1.199 486 P CA 0.247 63.522 63.100 0.291 0.000 0.763 486 P CB 0.455 32.258 31.700 0.172 0.000 0.790 487 A N 4.240 127.346 122.820 0.477 0.000 2.414 487 A HA 0.748 5.069 4.320 0.001 0.000 0.306 487 A C -1.496 176.241 177.584 0.256 0.000 1.054 487 A CA -0.674 51.622 52.037 0.432 0.000 0.724 487 A CB 1.424 20.704 19.000 0.467 0.000 1.267 487 A HN 0.579 nan 8.150 nan 0.000 0.418 488 L N 3.427 124.561 121.223 -0.149 0.000 2.441 488 L HA 0.724 5.065 4.340 0.001 0.000 0.270 488 L C -1.456 175.279 176.870 -0.226 0.000 0.973 488 L CA -0.512 54.064 54.840 -0.441 0.000 0.842 488 L CB 1.561 42.665 42.059 -1.592 0.000 1.239 488 L HN 0.969 nan 8.230 nan 0.000 0.406 489 M N 5.922 125.543 119.600 0.035 0.000 2.238 489 M HA 0.544 5.024 4.480 0.001 0.000 0.350 489 M C -1.580 174.754 176.300 0.057 0.000 1.138 489 M CA -0.188 55.210 55.300 0.164 0.000 1.040 489 M CB 1.439 34.216 32.600 0.295 0.000 1.639 489 M HN 0.318 nan 8.290 nan 0.000 0.451 490 V N 4.610 124.557 119.914 0.054 0.000 2.376 490 V HA 0.525 4.646 4.120 0.001 0.000 0.287 490 V C -0.121 176.024 176.094 0.084 0.000 1.015 490 V CA -0.694 61.633 62.300 0.045 0.000 0.834 490 V CB 1.332 33.153 31.823 -0.003 0.000 1.001 490 V HN 0.962 nan 8.190 nan 0.000 0.428 491 T N 1.919 116.552 114.554 0.132 0.000 2.922 491 T HA 0.815 5.166 4.350 0.001 0.000 0.285 491 T C -0.058 174.656 174.700 0.022 0.000 1.005 491 T CA -0.484 61.712 62.100 0.161 0.000 1.061 491 T CB 1.954 71.004 68.868 0.305 0.000 1.007 491 T HN 0.971 nan 8.240 nan 0.000 0.502 492 A N 1.326 124.135 122.820 -0.019 0.000 2.291 492 A HA 0.467 4.787 4.320 0.001 0.000 0.311 492 A C 1.031 178.544 177.584 -0.119 0.000 1.224 492 A CA -0.781 51.162 52.037 -0.157 0.000 0.821 492 A CB 0.680 19.607 19.000 -0.122 0.000 1.172 492 A HN 1.095 nan 8.150 nan 0.000 0.494 493 E N 2.295 122.365 120.200 -0.217 0.000 2.035 493 E HA -0.214 4.137 4.350 0.001 0.000 0.204 493 E C 0.617 177.171 176.600 -0.076 0.000 1.025 493 E CA 1.525 57.923 56.400 -0.003 0.000 0.835 493 E CB -0.020 29.686 29.700 0.010 0.000 0.764 493 E HN 0.535 nan 8.360 nan 0.000 0.457 494 K N 1.500 121.772 120.400 -0.214 0.000 2.591 494 K HA -0.007 4.314 4.320 0.001 0.000 0.197 494 K C -0.144 175.848 176.600 -1.013 0.000 1.026 494 K CA 0.167 56.126 56.287 -0.545 0.000 1.127 494 K CB -0.349 31.951 32.500 -0.334 0.000 0.871 494 K HN 0.193 nan 8.250 nan 0.000 0.507 495 D N 0.258 120.326 120.400 -0.552 0.000 2.316 495 D HA 0.058 4.699 4.640 0.001 0.000 0.245 495 D C 0.013 176.107 176.300 -0.342 0.000 1.171 495 D CA -0.377 53.378 54.000 -0.409 0.000 0.856 495 D CB 0.264 40.987 40.800 -0.129 0.000 1.090 495 D HN 0.043 nan 8.370 nan 0.000 0.476 496 F N 2.745 122.690 119.950 -0.009 0.000 2.693 496 F HA 0.037 4.565 4.527 0.001 0.000 0.303 496 F C 1.708 177.456 175.800 -0.088 0.000 1.097 496 F CA -0.466 57.509 58.000 -0.042 0.000 1.330 496 F CB 0.777 39.752 39.000 -0.042 0.000 1.067 496 F HN 0.286 nan 8.300 nan 0.000 0.565 497 V N -0.181 119.751 119.914 0.029 0.000 2.911 497 V HA 0.239 4.359 4.120 0.001 0.000 0.237 497 V C 0.717 176.806 176.094 -0.007 0.000 1.156 497 V CA 0.491 62.760 62.300 -0.052 0.000 1.180 497 V CB 0.494 32.300 31.823 -0.029 0.000 0.932 497 V HN 0.097 nan 8.190 nan 0.000 0.483 498 L N 2.424 123.682 121.223 0.059 0.000 2.657 498 L HA 0.388 4.729 4.340 0.001 0.000 0.239 498 L C -0.349 176.574 176.870 0.089 0.000 1.215 498 L CA -0.460 54.452 54.840 0.121 0.000 1.161 498 L CB 0.907 43.048 42.059 0.137 0.000 1.436 498 L HN 0.084 nan 8.230 nan 0.000 0.414 499 V N 2.527 122.488 119.914 0.079 0.000 2.763 499 V HA 0.015 4.136 4.120 0.001 0.000 0.306 499 V C -0.984 175.170 176.094 0.100 0.000 1.059 499 V CA -0.778 61.574 62.300 0.087 0.000 1.138 499 V CB 0.886 32.761 31.823 0.086 0.000 0.940 499 V HN 0.395 nan 8.190 nan 0.000 0.489 500 P HA -0.235 nan 4.420 nan 0.000 0.217 500 P C 1.736 179.081 177.300 0.076 0.000 1.151 500 P CA 1.528 64.700 63.100 0.119 0.000 0.849 500 P CB 0.057 31.855 31.700 0.163 0.000 0.787 501 Q N -0.876 118.963 119.800 0.064 0.000 2.234 501 Q HA -0.149 4.192 4.340 0.001 0.000 0.206 501 Q C 1.809 177.850 176.000 0.068 0.000 0.980 501 Q CA 1.484 57.315 55.803 0.046 0.000 0.869 501 Q CB -1.007 27.757 28.738 0.044 0.000 0.912 501 Q HN 0.235 nan 8.270 nan 0.000 0.436 502 M N 1.392 121.047 119.600 0.091 0.000 2.549 502 M HA -0.058 4.423 4.480 0.001 0.000 0.260 502 M C 1.630 177.996 176.300 0.110 0.000 1.076 502 M CA 1.409 56.776 55.300 0.113 0.000 1.090 502 M CB 0.039 32.720 32.600 0.135 0.000 1.418 502 M HN 0.446 nan 8.290 nan 0.000 0.486 503 S N -0.647 115.109 115.700 0.093 0.000 2.540 503 S HA -0.032 4.439 4.470 0.001 0.000 0.218 503 S C 1.655 176.274 174.600 0.031 0.000 0.977 503 S CA -0.280 57.969 58.200 0.081 0.000 0.918 503 S CB -0.255 63.007 63.200 0.104 0.000 0.806 503 S HN 0.631 nan 8.310 nan 0.000 0.496 504 Q N 1.332 121.128 119.800 -0.006 0.000 2.173 504 Q HA -0.256 4.084 4.340 0.001 0.000 0.208 504 Q C 0.902 176.747 176.000 -0.257 0.000 0.989 504 Q CA 2.155 57.872 55.803 -0.144 0.000 0.872 504 Q CB -1.012 27.594 28.738 -0.220 0.000 0.909 504 Q HN 0.776 nan 8.270 nan 0.000 0.420 505 H N -0.574 118.457 119.070 -0.065 0.000 2.524 505 H HA 0.275 4.832 4.556 0.001 0.000 0.280 505 H C 1.289 176.504 175.328 -0.189 0.000 1.018 505 H CA 0.155 56.122 56.048 -0.134 0.000 1.165 505 H CB 0.159 29.844 29.762 -0.129 0.000 1.411 505 H HN 0.234 nan 8.280 nan 0.000 0.569 506 M N 0.414 119.999 119.600 -0.026 0.000 2.213 506 M HA -0.157 4.324 4.480 0.001 0.000 0.263 506 M C 1.541 177.784 176.300 -0.094 0.000 1.062 506 M CA 1.248 56.535 55.300 -0.022 0.000 1.105 506 M CB 0.159 32.760 32.600 0.001 0.000 1.385 506 M HN 0.333 nan 8.290 nan 0.000 0.417 507 E N 0.417 120.543 120.200 -0.124 0.000 2.267 507 E HA -0.202 4.149 4.350 0.001 0.000 0.197 507 E C 1.130 177.594 176.600 -0.227 0.000 0.998 507 E CA 1.103 57.421 56.400 -0.137 0.000 0.830 507 E CB -0.722 28.904 29.700 -0.123 0.000 0.751 507 E HN 0.554 nan 8.360 nan 0.000 0.491 508 D N 0.017 120.177 120.400 -0.400 0.000 2.178 508 D HA -0.140 4.501 4.640 0.001 0.000 0.201 508 D C 1.456 177.384 176.300 -0.620 0.000 0.980 508 D CA 0.931 54.527 54.000 -0.673 0.000 0.842 508 D CB -0.379 39.756 40.800 -1.108 0.000 0.948 508 D HN 0.466 nan 8.370 nan 0.000 0.472 509 W N -0.095 121.205 121.300 -0.000 0.000 3.058 509 W HA 0.369 5.030 4.660 0.001 0.000 0.306 509 W C 0.456 176.931 176.519 -0.073 0.000 1.188 509 W CA -0.357 56.990 57.345 0.004 0.000 1.651 509 W CB 0.762 30.326 29.460 0.174 0.000 1.051 509 W HN -0.252 nan 8.180 nan 0.000 0.592 510 I N 1.061 121.664 120.570 0.056 0.000 2.862 510 I HA 0.204 4.374 4.170 0.001 0.000 0.285 510 I C -1.954 174.129 176.117 -0.057 0.000 1.339 510 I CA -1.828 59.468 61.300 -0.007 0.000 1.002 510 I CB 1.134 39.115 38.000 -0.031 0.000 1.618 510 I HN -0.335 nan 8.210 nan 0.000 0.593 511 P HA -0.218 nan 4.420 nan 0.000 0.217 511 P C 1.119 178.254 177.300 -0.275 0.000 1.158 511 P CA 1.720 64.653 63.100 -0.280 0.000 0.887 511 P CB 0.016 31.445 31.700 -0.452 0.000 0.792 512 H N -1.953 117.142 119.070 0.042 0.000 2.533 512 H HA 0.142 4.699 4.556 0.001 0.000 0.271 512 H C 0.794 176.177 175.328 0.092 0.000 1.000 512 H CA -0.584 55.502 56.048 0.063 0.000 1.149 512 H CB -0.746 29.059 29.762 0.072 0.000 1.375 512 H HN 0.109 nan 8.280 nan 0.000 0.582 513 L N 2.297 123.607 121.223 0.145 0.000 2.678 513 L HA -0.083 4.258 4.340 0.001 0.000 0.285 513 L C 0.262 177.217 176.870 0.141 0.000 1.233 513 L CA 0.577 55.506 54.840 0.148 0.000 0.920 513 L CB 0.304 42.415 42.059 0.087 0.000 1.176 513 L HN -0.040 nan 8.230 nan 0.000 0.495 514 K N 5.451 125.949 120.400 0.162 0.000 2.123 514 K HA 0.608 4.929 4.320 0.001 0.000 0.248 514 K C -0.416 176.225 176.600 0.069 0.000 0.969 514 K CA -0.875 55.492 56.287 0.134 0.000 0.882 514 K CB 1.631 34.258 32.500 0.212 0.000 1.080 514 K HN 0.648 nan 8.250 nan 0.000 0.441 515 R N -0.729 119.807 120.500 0.060 0.000 2.930 515 R HA 0.640 4.981 4.340 0.001 0.000 0.257 515 R C -0.701 175.625 176.300 0.044 0.000 1.107 515 R CA -0.980 55.147 56.100 0.045 0.000 0.999 515 R CB 2.118 32.449 30.300 0.052 0.000 1.209 515 R HN 0.773 nan 8.270 nan 0.000 0.486 516 G N -0.152 108.683 108.800 0.058 0.000 2.742 516 G HA2 0.448 4.408 3.960 0.001 0.000 0.296 516 G HA3 0.448 4.408 3.960 0.001 0.000 0.296 516 G C -2.237 172.745 174.900 0.136 0.000 1.436 516 G CA -0.280 44.864 45.100 0.072 0.000 0.928 516 G HN 0.523 nan 8.290 nan 0.000 0.520 517 H N 0.153 119.228 119.070 0.008 0.000 2.894 517 H HA 0.698 5.254 4.556 0.001 0.000 0.367 517 H C -1.055 174.272 175.328 -0.001 0.000 1.144 517 H CA -0.674 55.378 56.048 0.005 0.000 1.180 517 H CB 1.668 31.435 29.762 0.008 0.000 1.758 517 H HN 0.436 nan 8.280 nan 0.000 0.541 518 I N 3.834 124.093 120.570 -0.518 0.000 2.447 518 I HA 0.242 4.413 4.170 0.001 0.000 0.287 518 I C -0.186 175.677 176.117 -0.424 0.000 1.023 518 I CA -0.660 60.439 61.300 -0.335 0.000 1.083 518 I CB 1.906 39.781 38.000 -0.207 0.000 1.245 518 I HN 0.525 nan 8.210 nan 0.000 0.434 519 E N 3.326 123.394 120.200 -0.220 0.000 2.349 519 E HA 0.076 4.426 4.350 0.001 0.000 0.265 519 E C 0.045 176.587 176.600 -0.097 0.000 1.064 519 E CA -0.169 56.157 56.400 -0.125 0.000 0.886 519 E CB 0.598 30.288 29.700 -0.016 0.000 1.036 519 E HN 0.648 nan 8.360 nan 0.000 0.413 520 D N 0.052 120.415 120.400 -0.062 0.000 2.983 520 D HA -0.221 4.420 4.640 0.001 0.000 0.225 520 D C -1.216 175.037 176.300 -0.079 0.000 1.174 520 D CA 0.554 54.526 54.000 -0.047 0.000 0.831 520 D CB -1.058 39.727 40.800 -0.026 0.000 1.104 520 D HN 0.344 nan 8.370 nan 0.000 0.421 521 C N 0.203 119.428 119.300 -0.125 0.000 2.295 521 C HA 0.854 5.314 4.460 0.001 0.000 0.331 521 C C 1.483 176.374 174.990 -0.165 0.000 1.280 521 C CA 0.162 59.099 59.018 -0.135 0.000 1.746 521 C CB 0.050 27.695 27.740 -0.159 0.000 2.328 521 C HN 0.456 nan 8.230 nan 0.000 0.521 522 G N 2.850 111.573 108.800 -0.128 0.000 2.546 522 G HA2 0.146 4.107 3.960 0.001 0.000 0.239 522 G HA3 0.146 4.107 3.960 0.001 0.000 0.239 522 G C 0.664 175.467 174.900 -0.161 0.000 1.476 522 G CA 0.529 45.533 45.100 -0.160 0.000 1.064 522 G HN 0.961 nan 8.290 nan 0.000 0.561 523 H N -1.206 117.678 119.070 -0.309 0.000 2.363 523 H HA -0.003 4.554 4.556 0.001 0.000 0.301 523 H C 0.936 175.997 175.328 -0.445 0.000 1.074 523 H CA 0.754 56.528 56.048 -0.456 0.000 1.354 523 H CB -0.137 29.191 29.762 -0.723 0.000 1.397 523 H HN 0.429 nan 8.280 nan 0.000 0.516 524 W N 2.626 123.858 121.300 -0.114 0.000 1.435 524 W HA 0.173 4.834 4.660 0.001 0.000 0.471 524 W C 1.237 177.549 176.519 -0.346 0.000 0.590 524 W CA 0.113 57.289 57.345 -0.282 0.000 2.419 524 W CB -0.527 28.829 29.460 -0.172 0.000 1.251 524 W HN 0.097 nan 8.180 nan 0.000 0.338 525 T N 0.343 114.712 114.554 -0.308 0.000 2.564 525 T HA -0.397 3.954 4.350 0.001 0.000 0.264 525 T C 1.719 176.257 174.700 -0.270 0.000 1.100 525 T CA 2.255 64.199 62.100 -0.260 0.000 1.171 525 T CB -0.276 68.455 68.868 -0.228 0.000 0.863 525 T HN 0.300 nan 8.240 nan 0.000 0.430 526 Q N 0.542 120.093 119.800 -0.415 0.000 2.133 526 Q HA -0.071 4.270 4.340 0.001 0.000 0.208 526 Q C 2.373 178.270 176.000 -0.172 0.000 0.991 526 Q CA 1.716 57.328 55.803 -0.319 0.000 0.867 526 Q CB -0.454 27.963 28.738 -0.535 0.000 0.911 526 Q HN 0.546 nan 8.270 nan 0.000 0.417 527 M N -0.240 119.258 119.600 -0.170 0.000 2.123 527 M HA -0.149 4.331 4.480 0.001 0.000 0.263 527 M C 1.730 177.952 176.300 -0.131 0.000 1.069 527 M CA 1.181 56.433 55.300 -0.079 0.000 1.133 527 M CB -0.182 32.342 32.600 -0.125 0.000 1.356 527 M HN 0.191 nan 8.290 nan 0.000 0.415 528 D N 0.759 121.096 120.400 -0.105 0.000 2.087 528 D HA -0.109 4.531 4.640 0.001 0.000 0.192 528 D C 0.577 176.792 176.300 -0.143 0.000 0.993 528 D CA 1.250 55.194 54.000 -0.093 0.000 0.828 528 D CB 0.297 41.061 40.800 -0.061 0.000 0.968 528 D HN 0.033 nan 8.370 nan 0.000 0.448 529 K N 0.340 120.643 120.400 -0.161 0.000 2.877 529 K HA 0.205 4.526 4.320 0.001 0.000 0.176 529 K C -1.971 174.522 176.600 -0.179 0.000 1.075 529 K CA -1.346 54.844 56.287 -0.162 0.000 0.939 529 K CB 1.928 34.353 32.500 -0.125 0.000 1.237 529 K HN 0.176 nan 8.250 nan 0.000 0.607 530 P HA -0.166 nan 4.420 nan 0.000 0.215 530 P C 1.079 178.292 177.300 -0.146 0.000 1.153 530 P CA 1.350 64.297 63.100 -0.256 0.000 0.853 530 P CB 0.281 31.594 31.700 -0.644 0.000 0.788 531 T N 0.525 114.983 114.554 -0.159 0.000 2.708 531 T HA -0.141 4.210 4.350 0.001 0.000 0.266 531 T C 1.721 176.393 174.700 -0.047 0.000 1.037 531 T CA 1.808 63.856 62.100 -0.087 0.000 1.146 531 T CB -0.588 68.226 68.868 -0.089 0.000 0.865 531 T HN 0.233 nan 8.240 nan 0.000 0.435 532 E N 0.553 120.719 120.200 -0.057 0.000 2.106 532 E HA -0.017 4.334 4.350 0.001 0.000 0.192 532 E C 2.320 178.911 176.600 -0.015 0.000 0.984 532 E CA 0.396 56.776 56.400 -0.034 0.000 0.806 532 E CB -0.585 29.086 29.700 -0.049 0.000 0.750 532 E HN 0.199 nan 8.360 nan 0.000 0.458 533 V N 1.626 121.524 119.914 -0.025 0.000 2.261 533 V HA -0.333 3.788 4.120 0.001 0.000 0.246 533 V C 1.741 177.862 176.094 0.046 0.000 1.047 533 V CA 2.177 64.481 62.300 0.006 0.000 1.015 533 V CB -0.645 31.177 31.823 -0.002 0.000 0.642 533 V HN 0.341 nan 8.190 nan 0.000 0.446 534 N N -0.529 118.199 118.700 0.045 0.000 2.104 534 N HA -0.269 4.472 4.740 0.001 0.000 0.190 534 N C 1.985 177.534 175.510 0.064 0.000 1.024 534 N CA 1.343 54.434 53.050 0.068 0.000 0.853 534 N CB -0.182 38.343 38.487 0.063 0.000 1.008 534 N HN 0.501 nan 8.380 nan 0.000 0.424 535 Q N 1.569 121.396 119.800 0.046 0.000 2.002 535 Q HA -0.174 4.167 4.340 0.001 0.000 0.204 535 Q C 2.152 178.194 176.000 0.070 0.000 0.988 535 Q CA 1.416 57.249 55.803 0.050 0.000 0.843 535 Q CB -0.256 28.500 28.738 0.030 0.000 0.908 535 Q HN 0.421 nan 8.270 nan 0.000 0.420 536 I N 0.818 121.427 120.570 0.064 0.000 2.151 536 I HA -0.348 3.823 4.170 0.001 0.000 0.243 536 I C 2.488 178.685 176.117 0.133 0.000 1.080 536 I CA 1.105 62.454 61.300 0.082 0.000 1.339 536 I CB -0.289 37.739 38.000 0.047 0.000 1.039 536 I HN 0.227 nan 8.210 nan 0.000 0.409 537 L N 0.098 121.396 121.223 0.126 0.000 2.044 537 L HA -0.182 4.159 4.340 0.001 0.000 0.205 537 L C 2.517 179.497 176.870 0.183 0.000 1.075 537 L CA 1.345 56.300 54.840 0.192 0.000 0.747 537 L CB -0.475 41.665 42.059 0.136 0.000 0.903 537 L HN 0.183 nan 8.230 nan 0.000 0.435 538 I N 0.125 120.758 120.570 0.104 0.000 2.208 538 I HA -0.337 3.834 4.170 0.001 0.000 0.245 538 I C 2.751 178.931 176.117 0.104 0.000 1.097 538 I CA 1.449 62.796 61.300 0.078 0.000 1.363 538 I CB -0.374 37.685 38.000 0.097 0.000 1.051 538 I HN 0.291 nan 8.210 nan 0.000 0.413 539 K N 0.358 120.835 120.400 0.127 0.000 2.097 539 K HA -0.257 4.064 4.320 0.001 0.000 0.206 539 K C 2.191 178.887 176.600 0.160 0.000 1.049 539 K CA 1.722 58.085 56.287 0.127 0.000 0.933 539 K CB -0.273 32.301 32.500 0.124 0.000 0.717 539 K HN 0.380 nan 8.250 nan 0.000 0.442 540 W N 1.634 122.942 121.300 0.013 0.000 2.409 540 W HA -0.073 4.588 4.660 0.001 0.000 0.299 540 W C 1.472 177.991 176.519 -0.001 0.000 1.203 540 W CA 0.969 58.322 57.345 0.013 0.000 1.298 540 W CB -0.228 29.240 29.460 0.012 0.000 1.127 540 W HN -0.025 nan 8.180 nan 0.000 0.528 541 L N 0.455 121.547 121.223 -0.217 0.000 2.017 541 L HA -0.215 4.126 4.340 0.001 0.000 0.208 541 L C 2.160 178.912 176.870 -0.197 0.000 1.073 541 L CA 1.696 56.247 54.840 -0.481 0.000 0.745 541 L CB -0.968 40.721 42.059 -0.617 0.000 0.894 541 L HN -0.145 nan 8.230 nan 0.000 0.432 542 D N -0.540 119.857 120.400 -0.005 0.000 2.263 542 D HA -0.127 4.514 4.640 0.001 0.000 0.208 542 D C 2.277 178.562 176.300 -0.026 0.000 0.971 542 D CA 1.568 55.604 54.000 0.061 0.000 0.867 542 D CB 0.077 40.929 40.800 0.087 0.000 0.929 542 D HN 0.410 nan 8.370 nan 0.000 0.492 543 S N -0.750 114.898 115.700 -0.087 0.000 2.502 543 S HA 0.014 4.485 4.470 0.001 0.000 0.228 543 S C 1.134 175.644 174.600 -0.150 0.000 1.061 543 S CA 0.067 58.219 58.200 -0.080 0.000 0.935 543 S CB 0.253 63.443 63.200 -0.016 0.000 0.809 543 S HN -0.075 nan 8.310 nan 0.000 0.510 544 D N 0.959 121.155 120.400 -0.341 0.000 2.433 544 D HA 0.547 5.187 4.640 0.001 0.000 0.211 544 D C 1.139 177.186 176.300 -0.421 0.000 1.114 544 D CA 0.558 54.340 54.000 -0.362 0.000 0.837 544 D CB 0.826 41.399 40.800 -0.379 0.000 0.984 544 D HN 0.504 nan 8.370 nan 0.000 0.505 545 A N -0.325 122.225 122.820 -0.450 0.000 2.498 545 A HA 0.244 4.565 4.320 0.001 0.000 0.238 545 A C 1.826 179.343 177.584 -0.112 0.000 1.225 545 A CA -0.055 51.786 52.037 -0.326 0.000 0.978 545 A CB 0.410 19.099 19.000 -0.518 0.000 1.142 545 A HN -0.049 nan 8.150 nan 0.000 0.552 546 R N 1.009 121.470 120.500 -0.065 0.000 2.062 546 R HA 0.090 4.431 4.340 0.001 0.000 0.218 546 R C 0.824 177.103 176.300 -0.036 0.000 1.161 546 R CA 1.041 57.138 56.100 -0.006 0.000 0.994 546 R CB -0.515 29.794 30.300 0.015 0.000 0.888 546 R HN 0.484 nan 8.270 nan 0.000 0.442 547 N N 0.000 118.673 118.700 -0.045 0.000 1.763 547 N HA 0.000 4.741 4.740 0.001 0.000 0.220 547 N CA 0.000 53.027 53.050 -0.039 0.000 0.885 547 N CB 0.000 38.465 38.487 -0.037 0.000 1.341 547 N HN 0.000 nan 8.380 nan 0.000 0.667