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 2hg4_1_E DATA FIRST_RESID 16 DATA SEQUENCE LKRTVTELDS VTARLREVEH RAGEPIAIVG XACRFPGDVD SPESFWEFVS DATA SEQUENCE GGGDAIAEAP ADRGWEPDPD ARLGGXLAAA GDFDAGFFGI SPREALAXDP DATA SEQUENCE QQRIXLEISW EALERAGHDP VSLRGSATGV FTGVGTVDYG PRPDEAPDEV DATA SEQUENCE LGYVGTGTAS SVASGRVAYC LGLEGPAXTV DTACSSGLTA LHLAXESLRR DATA SEQUENCE DECGLALAGG VTVXSSPGAF TEFRSQGGLA ADGRCKPFSK AADGFGLAEG DATA SEQUENCE AGVLVLQRLS AARREGRPVL AVLRGSAVNQ DGASNGLTAP SGPAQQRVIR DATA SEQUENCE RALENAGVRA GDVDYVEAHG TGTRLGDPIE VHALLSTYGA ERDPDDPLWI DATA SEQUENCE GSVKSNIGHT QAAAGVAGVX KAVLALRHGE XPRTLHFDEP SPQIEWDLXA DATA SEQUENCE VSVVSQARSW PAGERPRRAG VSSFGISGTN AHVIVEEAPE ADXXXXXXXX DATA SEQUENCE GPVPLVLSGR DEQAXRAQAG RLADHLAREP RNSLRDTGFT LATRRSAWEH DATA SEQUENCE RAVVVGDRDE ALAGLRAVAD GRIADRTATG QARTRRGVAX VFPGQGAQWQ DATA SEQUENCE GXARDLLRES QVFADSIRDC ERALAPHVDW SLTDLLSGAR PLDRVDVVQP DATA SEQUENCE ALFAVXVSLA ALWRSHGVEP AAVVGHSQGE IAAAHVAGAL TLEDAAKLVA DATA SEQUENCE VRSRVLRRLG GQGGXASFGL GTEQAAERIG RFAGALSIAS VNGPRSVVVA DATA SEQUENCE GESGPLDELI AECEAEAHKA RRIPVDYASH SPQVESLREE LLTELAGISP DATA SEQUENCE VSADVALYST TTGQPIDTAT XDTAYWYANL REQVRFQDAT RQLAEAGFDA DATA SEQUENCE FVEVSPHPVL TVGIEATLDS ALPADAGACV VGTLRRDRGG LADFHTALGE DATA SEQUENCE AYAQGVEVDW SPAFADARPV ELPVYPFQRQ RYWLPI 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 16 L HA 0.000 nan 4.340 nan 0.000 0.249 16 L C 0.000 176.871 176.870 0.001 0.000 1.165 16 L CA 0.000 54.841 54.840 0.001 0.000 0.813 16 L CB 0.000 42.060 42.059 0.001 0.000 0.961 17 K N 1.493 121.894 120.400 0.001 0.000 2.360 17 K HA -0.059 4.261 4.320 -0.000 0.000 0.201 17 K C 1.752 178.353 176.600 0.001 0.000 1.046 17 K CA 1.276 57.564 56.287 0.001 0.000 0.940 17 K CB 0.130 32.630 32.500 0.001 0.000 0.748 17 K HN 0.209 nan 8.250 nan 0.000 0.465 18 R N -0.555 119.946 120.500 0.002 0.000 2.052 18 R HA 0.012 4.352 4.340 -0.000 0.000 0.224 18 R C 2.400 178.701 176.300 0.002 0.000 1.165 18 R CA 1.846 57.947 56.100 0.002 0.000 0.939 18 R CB -1.146 29.155 30.300 0.002 0.000 0.834 18 R HN 0.054 nan 8.270 nan 0.000 0.435 19 T N 0.718 115.273 114.554 0.002 0.000 2.565 19 T HA -0.230 4.120 4.350 -0.000 0.000 0.265 19 T C 1.894 176.595 174.700 0.002 0.000 1.082 19 T CA 2.104 64.205 62.100 0.002 0.000 1.173 19 T CB -0.579 68.290 68.868 0.002 0.000 0.864 19 T HN -0.037 nan 8.240 nan 0.000 0.425 20 V N 1.546 121.461 119.914 0.002 0.000 2.252 20 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 20 V C 2.648 178.743 176.094 0.001 0.000 1.056 20 V CA 2.419 64.720 62.300 0.001 0.000 1.022 20 V CB -1.298 30.525 31.823 0.001 0.000 0.641 20 V HN 0.620 nan 8.190 nan 0.000 0.445 21 T N -1.034 113.521 114.554 0.001 0.000 3.118 21 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 21 T C 1.463 176.164 174.700 0.002 0.000 1.166 21 T CA 1.214 63.315 62.100 0.001 0.000 1.073 21 T CB -0.140 68.729 68.868 0.001 0.000 0.884 21 T HN 0.614 nan 8.240 nan 0.000 0.550 22 E N -0.449 119.752 120.200 0.002 0.000 2.406 22 E HA 0.173 4.523 4.350 -0.000 0.000 0.204 22 E C 1.831 178.432 176.600 0.003 0.000 0.820 22 E CA -0.318 56.084 56.400 0.002 0.000 1.136 22 E CB 0.017 29.719 29.700 0.003 0.000 1.129 22 E HN 0.143 nan 8.360 nan 0.000 0.530 23 L N 2.528 123.752 121.223 0.002 0.000 2.051 23 L HA -0.244 4.096 4.340 -0.000 0.000 0.214 23 L C 1.262 178.133 176.870 0.002 0.000 1.076 23 L CA 2.046 56.888 54.840 0.003 0.000 0.758 23 L CB -0.927 41.133 42.059 0.002 0.000 0.890 23 L HN 0.075 nan 8.230 nan 0.000 0.433 24 D N -0.479 119.922 120.400 0.001 0.000 2.106 24 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 24 D C 2.354 178.654 176.300 0.000 0.000 0.988 24 D CA 2.067 56.067 54.000 -0.000 0.000 0.845 24 D CB -0.437 40.363 40.800 -0.001 0.000 0.990 24 D HN 0.463 nan 8.370 nan 0.000 0.448 25 S N 0.372 116.073 115.700 0.001 0.000 2.368 25 S HA -0.221 4.249 4.470 -0.000 0.000 0.226 25 S C 2.302 176.904 174.600 0.003 0.000 1.044 25 S CA 1.816 60.017 58.200 0.002 0.000 1.062 25 S CB -1.074 62.127 63.200 0.002 0.000 0.931 25 S HN 0.133 nan 8.310 nan 0.000 0.440 26 V N 2.564 122.480 119.914 0.004 0.000 2.233 26 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 26 V C 2.946 179.044 176.094 0.006 0.000 1.050 26 V CA 2.411 64.715 62.300 0.006 0.000 1.010 26 V CB -1.728 30.098 31.823 0.006 0.000 0.637 26 V HN 0.639 nan 8.190 nan 0.000 0.444 27 T N 0.625 115.182 114.554 0.005 0.000 2.699 27 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 27 T C 1.936 176.638 174.700 0.004 0.000 1.036 27 T CA 1.755 63.858 62.100 0.005 0.000 1.147 27 T CB -0.490 68.380 68.868 0.003 0.000 0.862 27 T HN 0.582 nan 8.240 nan 0.000 0.446 28 A N 1.105 123.926 122.820 0.001 0.000 2.119 28 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 28 A C 2.373 179.957 177.584 0.000 0.000 1.153 28 A CA 0.769 52.804 52.037 -0.004 0.000 0.692 28 A CB -0.313 18.682 19.000 -0.008 0.000 0.799 28 A HN 0.341 nan 8.150 nan 0.000 0.458 29 R N -0.861 119.643 120.500 0.006 0.000 2.080 29 R HA 0.082 4.422 4.340 -0.000 0.000 0.222 29 R C 2.067 178.377 176.300 0.018 0.000 1.107 29 R CA 0.748 56.855 56.100 0.011 0.000 0.980 29 R CB -0.485 29.822 30.300 0.011 0.000 0.879 29 R HN 0.500 nan 8.270 nan 0.000 0.439 30 L N 1.273 122.506 121.223 0.016 0.000 2.013 30 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 30 L C 2.341 179.228 176.870 0.029 0.000 1.073 30 L CA 1.841 56.693 54.840 0.020 0.000 0.753 30 L CB -0.335 41.733 42.059 0.016 0.000 0.890 30 L HN 0.199 nan 8.230 nan 0.000 0.432 31 R N 0.139 120.653 120.500 0.025 0.000 2.075 31 R HA -0.183 4.157 4.340 -0.000 0.000 0.230 31 R C 2.312 178.647 176.300 0.058 0.000 1.140 31 R CA 1.922 58.042 56.100 0.035 0.000 0.928 31 R CB -1.120 29.185 30.300 0.009 0.000 0.834 31 R HN 0.582 nan 8.270 nan 0.000 0.429 32 E N 0.691 120.912 120.200 0.035 0.000 2.114 32 E HA -0.172 4.178 4.350 -0.000 0.000 0.199 32 E C 2.216 178.877 176.600 0.100 0.000 1.008 32 E CA 1.989 58.423 56.400 0.056 0.000 0.810 32 E CB -1.032 28.685 29.700 0.028 0.000 0.739 32 E HN 0.189 nan 8.360 nan 0.000 0.456 33 V N 1.256 121.209 119.914 0.064 0.000 2.261 33 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 33 V C 2.454 178.582 176.094 0.057 0.000 1.047 33 V CA 2.310 64.642 62.300 0.053 0.000 1.015 33 V CB -0.531 31.313 31.823 0.035 0.000 0.642 33 V HN 0.635 nan 8.190 nan 0.000 0.446 34 E N -1.131 119.106 120.200 0.062 0.000 2.204 34 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 34 E C 2.151 178.794 176.600 0.071 0.000 0.989 34 E CA 0.978 57.410 56.400 0.054 0.000 0.824 34 E CB -0.173 29.557 29.700 0.050 0.000 0.756 34 E HN 0.715 nan 8.360 nan 0.000 0.477 35 H N 1.051 120.125 119.070 0.007 0.000 2.372 35 H HA 0.070 4.626 4.556 -0.000 0.000 0.301 35 H C 1.958 177.290 175.328 0.006 0.000 1.065 35 H CA 0.990 57.043 56.048 0.007 0.000 1.364 35 H CB 0.269 30.035 29.762 0.007 0.000 1.406 35 H HN -0.011 nan 8.280 nan 0.000 0.521 36 R N 0.115 120.627 120.500 0.020 0.000 2.148 36 R HA -0.019 4.321 4.340 -0.000 0.000 0.227 36 R C 2.402 178.649 176.300 -0.087 0.000 1.103 36 R CA 0.906 56.977 56.100 -0.049 0.000 0.983 36 R CB -0.037 30.293 30.300 0.050 0.000 0.874 36 R HN 0.312 nan 8.270 nan 0.000 0.451 37 A N -0.195 122.594 122.820 -0.052 0.000 2.067 37 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 37 A C 1.662 179.210 177.584 -0.060 0.000 1.156 37 A CA 1.388 53.400 52.037 -0.042 0.000 0.683 37 A CB 0.055 19.047 19.000 -0.013 0.000 0.808 37 A HN 0.405 nan 8.150 nan 0.000 0.455 38 G N -0.574 108.172 108.800 -0.091 0.000 3.863 38 G HA2 0.337 4.297 3.960 -0.000 0.000 0.290 38 G HA3 0.337 4.297 3.960 -0.000 0.000 0.290 38 G C -0.028 174.786 174.900 -0.142 0.000 1.018 38 G CA -0.031 45.018 45.100 -0.085 0.000 0.824 38 G HN 0.501 nan 8.290 nan 0.000 0.507 39 E N 1.700 121.769 120.200 -0.218 0.000 2.376 39 E HA 0.230 4.580 4.350 -0.000 0.000 0.266 39 E C -2.171 174.343 176.600 -0.142 0.000 1.009 39 E CA -1.599 54.623 56.400 -0.297 0.000 0.902 39 E CB 0.977 30.477 29.700 -0.332 0.000 0.972 39 E HN 0.033 nan 8.360 nan 0.000 0.439 40 P HA 0.002 nan 4.420 nan 0.000 0.266 40 P C -0.928 176.351 177.300 -0.035 0.000 1.195 40 P CA 0.054 63.128 63.100 -0.044 0.000 0.768 40 P CB 0.430 32.120 31.700 -0.018 0.000 0.838 41 I N 2.357 122.912 120.570 -0.024 0.000 2.330 41 I HA 0.360 4.530 4.170 -0.000 0.000 0.289 41 I C 0.269 176.383 176.117 -0.004 0.000 1.001 41 I CA -0.753 60.535 61.300 -0.019 0.000 1.193 41 I CB 0.744 38.726 38.000 -0.030 0.000 1.345 41 I HN 0.295 nan 8.210 nan 0.000 0.461 42 A N 7.636 130.458 122.820 0.003 0.000 2.409 42 A HA 0.513 4.833 4.320 -0.000 0.000 0.267 42 A C 0.107 177.699 177.584 0.014 0.000 1.127 42 A CA -0.252 51.790 52.037 0.008 0.000 0.795 42 A CB -0.218 18.789 19.000 0.013 0.000 1.061 42 A HN 0.649 nan 8.150 nan 0.000 0.502 43 I N 3.175 123.754 120.570 0.015 0.000 2.396 43 I HA 0.097 4.267 4.170 -0.000 0.000 0.289 43 I C 0.851 176.983 176.117 0.026 0.000 1.056 43 I CA 0.186 61.501 61.300 0.025 0.000 1.365 43 I CB 1.293 39.311 38.000 0.031 0.000 1.407 43 I HN 0.439 nan 8.210 nan 0.000 0.509 44 V N 5.536 125.472 119.914 0.036 0.000 3.604 44 V HA 0.487 4.607 4.120 -0.000 0.000 0.277 44 V C 0.610 176.735 176.094 0.052 0.000 1.399 44 V CA 0.762 63.087 62.300 0.042 0.000 1.034 44 V CB 0.664 32.520 31.823 0.055 0.000 0.824 44 V HN 0.938 nan 8.190 nan 0.000 0.439 48 C N -0.306 118.976 119.300 -0.030 0.000 3.340 48 C HA 1.013 5.473 4.460 -0.000 0.000 0.333 48 C C -0.730 174.063 174.990 -0.329 0.000 1.464 48 C CA -0.939 57.925 59.018 -0.258 0.000 1.337 48 C CB 1.583 29.169 27.740 -0.256 0.000 1.740 48 C HN 1.391 nan 8.230 nan 0.000 0.450 49 R N 0.231 120.337 120.500 -0.657 0.000 2.695 49 R HA 0.725 5.065 4.340 -0.000 0.000 0.288 49 R C -2.038 173.876 176.300 -0.642 0.000 1.344 49 R CA -0.120 55.713 56.100 -0.445 0.000 1.005 49 R CB 0.205 30.337 30.300 -0.279 0.000 1.233 49 R HN 0.725 nan 8.270 nan 0.000 0.442 50 F N 3.310 123.148 119.950 -0.187 0.000 2.611 50 F HA 0.660 5.187 4.527 -0.000 0.000 0.324 50 F C -1.718 173.966 175.800 -0.194 0.000 1.061 50 F CA -2.447 55.422 58.000 -0.217 0.000 0.954 50 F CB 1.585 40.353 39.000 -0.388 0.000 1.301 50 F HN 0.346 nan 8.300 nan 0.000 0.482 51 P HA 0.222 nan 4.420 nan 0.000 0.271 51 P C 0.324 177.473 177.300 -0.252 0.000 1.238 51 P CA 0.754 63.835 63.100 -0.030 0.000 0.794 51 P CB 0.455 32.185 31.700 0.051 0.000 0.959 52 G N -0.120 108.515 108.800 -0.274 0.000 2.143 52 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 52 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 52 G C -0.382 174.272 174.900 -0.410 0.000 0.991 52 G CA 0.241 45.015 45.100 -0.544 0.000 0.689 52 G HN 0.618 nan 8.290 nan 0.000 0.522 53 D N -2.128 118.142 120.400 -0.216 0.000 2.990 53 D HA -0.087 4.553 4.640 -0.000 0.000 0.245 53 D C 0.239 176.464 176.300 -0.125 0.000 1.120 53 D CA 1.304 55.227 54.000 -0.128 0.000 0.838 53 D CB -1.205 39.551 40.800 -0.073 0.000 1.000 53 D HN 0.900 nan 8.370 nan 0.000 0.420 54 V N 1.409 121.253 119.914 -0.117 0.000 2.555 54 V HA 0.576 4.696 4.120 -0.000 0.000 0.302 54 V C 0.635 176.712 176.094 -0.029 0.000 1.038 54 V CA -0.228 62.044 62.300 -0.047 0.000 0.887 54 V CB 2.194 34.000 31.823 -0.029 0.000 0.991 54 V HN 0.375 nan 8.190 nan 0.000 0.434 55 D N 1.022 121.436 120.400 0.023 0.000 2.497 55 D HA 0.105 4.745 4.640 -0.000 0.000 0.256 55 D C 0.266 176.609 176.300 0.071 0.000 1.273 55 D CA 0.323 54.335 54.000 0.020 0.000 0.812 55 D CB 0.574 41.393 40.800 0.031 0.000 1.190 55 D HN 0.557 nan 8.370 nan 0.000 0.524 56 S N -1.058 114.717 115.700 0.124 0.000 2.661 56 S HA 0.650 5.120 4.470 -0.000 0.000 0.285 56 S C -2.441 172.311 174.600 0.253 0.000 1.138 56 S CA -1.155 57.144 58.200 0.164 0.000 0.855 56 S CB 2.479 65.772 63.200 0.155 0.000 1.136 56 S HN -0.293 nan 8.310 nan 0.000 0.484 57 P HA 0.109 nan 4.420 nan 0.000 0.219 57 P C 1.683 179.193 177.300 0.350 0.000 1.150 57 P CA 1.926 65.235 63.100 0.349 0.000 0.814 57 P CB -0.242 31.612 31.700 0.256 0.000 0.787 58 E N 0.361 120.724 120.200 0.273 0.000 2.106 58 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 58 E C 2.045 178.824 176.600 0.298 0.000 0.984 58 E CA 1.937 58.498 56.400 0.268 0.000 0.806 58 E CB -1.647 28.176 29.700 0.204 0.000 0.750 58 E HN 0.452 nan 8.360 nan 0.000 0.458 59 S N -0.742 115.128 115.700 0.282 0.000 2.425 59 S HA 0.018 4.488 4.470 -0.000 0.000 0.225 59 S C 1.963 176.787 174.600 0.373 0.000 1.024 59 S CA 0.890 59.248 58.200 0.264 0.000 0.951 59 S CB -0.321 62.992 63.200 0.189 0.000 0.796 59 S HN 0.447 nan 8.310 nan 0.000 0.498 60 F N 2.257 122.348 119.950 0.236 0.000 2.095 60 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 60 F C 2.204 178.175 175.800 0.285 0.000 1.104 60 F CA 0.749 58.908 58.000 0.265 0.000 1.232 60 F CB -1.078 38.100 39.000 0.296 0.000 0.987 60 F HN 0.400 nan 8.300 nan 0.000 0.475 61 W N 1.590 122.957 121.300 0.112 0.000 2.355 61 W HA -0.221 4.439 4.660 -0.000 0.000 0.309 61 W C 1.977 178.464 176.519 -0.054 0.000 1.206 61 W CA 1.920 59.207 57.345 -0.098 0.000 1.284 61 W CB -0.422 28.952 29.460 -0.143 0.000 1.145 61 W HN 0.143 nan 8.180 nan 0.000 0.502 62 E N -0.570 119.632 120.200 0.004 0.000 2.265 62 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 62 E C 1.830 178.396 176.600 -0.057 0.000 0.996 62 E CA 1.272 57.623 56.400 -0.083 0.000 0.832 62 E CB -0.454 29.291 29.700 0.075 0.000 0.756 62 E HN 0.232 nan 8.360 nan 0.000 0.491 63 F N 0.093 119.987 119.950 -0.093 0.000 2.147 63 F HA -0.090 4.437 4.527 -0.000 0.000 0.291 63 F C 2.014 177.719 175.800 -0.158 0.000 1.093 63 F CA 0.702 58.669 58.000 -0.054 0.000 1.263 63 F CB -0.213 38.845 39.000 0.095 0.000 1.036 63 F HN -0.224 nan 8.300 nan 0.000 0.481 64 V N 0.216 120.023 119.914 -0.177 0.000 2.270 64 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 64 V C 2.580 178.340 176.094 -0.557 0.000 1.043 64 V CA 2.146 64.228 62.300 -0.362 0.000 1.014 64 V CB -1.102 30.500 31.823 -0.368 0.000 0.645 64 V HN 0.537 nan 8.190 nan 0.000 0.447 65 S N 0.657 115.841 115.700 -0.860 0.000 2.453 65 S HA -0.024 4.446 4.470 -0.000 0.000 0.231 65 S C 1.959 176.237 174.600 -0.536 0.000 1.005 65 S CA 1.045 58.727 58.200 -0.862 0.000 0.949 65 S CB -0.503 61.857 63.200 -1.399 0.000 0.774 65 S HN 0.548 nan 8.310 nan 0.000 0.510 66 G N 1.042 109.561 108.800 -0.469 0.000 2.598 66 G HA2 0.357 4.317 3.960 -0.000 0.000 0.215 66 G HA3 0.357 4.317 3.960 -0.000 0.000 0.215 66 G C 1.043 175.741 174.900 -0.336 0.000 1.131 66 G CA 0.061 44.963 45.100 -0.330 0.000 0.785 66 G HN 1.495 nan 8.290 nan 0.000 0.539 67 G N -0.818 107.739 108.800 -0.405 0.000 2.248 67 G HA2 0.136 4.096 3.960 -0.000 0.000 0.252 67 G HA3 0.136 4.096 3.960 -0.000 0.000 0.252 67 G C 0.528 175.158 174.900 -0.450 0.000 1.085 67 G CA 0.077 44.956 45.100 -0.370 0.000 0.845 67 G HN 1.003 nan 8.290 nan 0.000 0.494 68 G N -0.464 107.880 108.800 -0.760 0.000 2.432 68 G HA2 0.486 4.446 3.960 -0.000 0.000 0.257 68 G HA3 0.486 4.446 3.960 -0.000 0.000 0.257 68 G C -0.523 173.988 174.900 -0.648 0.000 1.238 68 G CA 0.190 44.623 45.100 -1.113 0.000 0.838 68 G HN 0.329 nan 8.290 nan 0.000 0.547 69 D N 1.222 121.488 120.400 -0.222 0.000 2.453 69 D HA 0.454 5.094 4.640 -0.000 0.000 0.238 69 D C 0.817 177.285 176.300 0.280 0.000 1.088 69 D CA -0.485 53.556 54.000 0.069 0.000 0.854 69 D CB 1.357 42.198 40.800 0.069 0.000 1.076 69 D HN 0.298 nan 8.370 nan 0.000 0.533 70 A N 4.804 127.876 122.820 0.420 0.000 2.251 70 A HA 0.149 4.469 4.320 -0.000 0.000 0.209 70 A C 0.870 178.574 177.584 0.199 0.000 1.187 70 A CA -0.099 52.151 52.037 0.355 0.000 0.823 70 A CB -0.191 18.968 19.000 0.266 0.000 0.846 70 A HN 0.541 nan 8.150 nan 0.000 0.486 71 I N 0.745 121.426 120.570 0.184 0.000 2.529 71 I HA 0.460 4.630 4.170 -0.000 0.000 0.284 71 I C 0.586 176.773 176.117 0.117 0.000 1.082 71 I CA 0.172 61.559 61.300 0.146 0.000 1.406 71 I CB 0.289 38.372 38.000 0.138 0.000 1.405 71 I HN 0.307 nan 8.210 nan 0.000 0.548 72 A N 5.596 128.479 122.820 0.104 0.000 2.586 72 A HA 0.408 4.728 4.320 -0.000 0.000 0.290 72 A C -0.503 177.121 177.584 0.066 0.000 1.086 72 A CA -0.729 51.352 52.037 0.073 0.000 0.665 72 A CB 0.856 19.888 19.000 0.054 0.000 1.279 72 A HN 0.645 nan 8.150 nan 0.000 0.423 73 E N 0.334 120.553 120.200 0.033 0.000 2.436 73 E HA 0.392 4.742 4.350 -0.000 0.000 0.262 73 E C 0.493 177.079 176.600 -0.023 0.000 1.063 73 E CA 0.325 56.730 56.400 0.008 0.000 0.944 73 E CB 0.686 30.378 29.700 -0.014 0.000 0.950 73 E HN 0.941 nan 8.360 nan 0.000 0.444 74 A N 4.887 127.675 122.820 -0.054 0.000 2.388 74 A HA 0.314 4.634 4.320 -0.000 0.000 0.257 74 A C -2.009 175.422 177.584 -0.256 0.000 1.095 74 A CA -1.225 50.718 52.037 -0.158 0.000 0.791 74 A CB -0.030 18.854 19.000 -0.193 0.000 1.029 74 A HN 0.494 nan 8.150 nan 0.000 0.489 75 P HA 0.226 nan 4.420 nan 0.000 0.271 75 P C 0.479 177.553 177.300 -0.378 0.000 1.233 75 P CA 0.356 63.262 63.100 -0.324 0.000 0.789 75 P CB 0.936 32.427 31.700 -0.349 0.000 0.951 76 A N 1.163 123.821 122.820 -0.270 0.000 2.081 76 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 76 A C 1.381 178.818 177.584 -0.246 0.000 1.158 76 A CA 0.948 52.855 52.037 -0.217 0.000 0.724 76 A CB -0.862 18.058 19.000 -0.132 0.000 0.826 76 A HN 0.596 nan 8.150 nan 0.000 0.463 77 D N -0.061 120.152 120.400 -0.312 0.000 2.371 77 D HA -0.111 4.529 4.640 -0.000 0.000 0.221 77 D C 1.420 177.455 176.300 -0.443 0.000 0.986 77 D CA 0.464 54.271 54.000 -0.320 0.000 0.899 77 D CB -0.443 40.158 40.800 -0.331 0.000 0.902 77 D HN 0.460 nan 8.370 nan 0.000 0.530 78 R N -0.294 119.892 120.500 -0.522 0.000 2.310 78 R HA 0.261 4.601 4.340 -0.000 0.000 0.202 78 R C 1.230 177.629 176.300 0.164 0.000 0.933 78 R CA 0.444 56.301 56.100 -0.404 0.000 1.054 78 R CB 0.100 30.087 30.300 -0.521 0.000 0.985 78 R HN 0.264 nan 8.270 nan 0.000 0.489 79 G N 0.966 109.811 108.800 0.075 0.000 2.160 79 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.251 79 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.251 79 G C -0.424 174.667 174.900 0.318 0.000 1.008 79 G CA -0.271 44.941 45.100 0.187 0.000 0.724 79 G HN 0.205 nan 8.290 nan 0.000 0.514 80 W N 0.769 122.093 121.300 0.040 0.000 2.223 80 W HA 0.492 5.152 4.660 0.000 0.000 0.334 80 W C 0.842 177.365 176.519 0.005 0.000 1.334 80 W CA -0.857 56.505 57.345 0.029 0.000 1.246 80 W CB 0.334 29.796 29.460 0.004 0.000 1.184 80 W HN 0.378 nan 8.180 nan 0.000 0.563 81 E N 4.806 125.114 120.200 0.181 0.000 2.498 81 E HA 0.080 4.430 4.350 -0.000 0.000 0.252 81 E C -2.125 174.526 176.600 0.085 0.000 1.025 81 E CA -1.230 55.224 56.400 0.090 0.000 0.938 81 E CB 0.144 29.862 29.700 0.030 0.000 0.947 81 E HN -0.010 nan 8.360 nan 0.000 0.478 82 P HA 0.043 nan 4.420 nan 0.000 0.262 82 P C -0.956 176.359 177.300 0.025 0.000 1.182 82 P CA 0.326 63.454 63.100 0.046 0.000 0.761 82 P CB 0.538 32.256 31.700 0.030 0.000 0.795 83 D N 2.920 123.330 120.400 0.016 0.000 2.457 83 D HA 0.189 4.829 4.640 -0.000 0.000 0.240 83 D C -1.256 175.044 176.300 0.001 0.000 1.041 83 D CA -1.881 52.120 54.000 0.002 0.000 0.861 83 D CB 1.973 42.765 40.800 -0.013 0.000 1.394 83 D HN 0.155 nan 8.370 nan 0.000 0.473 84 P HA -0.057 nan 4.420 nan 0.000 0.217 84 P C -0.009 177.292 177.300 0.002 0.000 1.150 84 P CA 0.722 63.823 63.100 0.002 0.000 0.832 84 P CB 0.330 32.032 31.700 0.003 0.000 0.787 85 D N 0.312 120.714 120.400 0.003 0.000 2.365 85 D HA 0.414 5.054 4.640 -0.000 0.000 0.237 85 D C -0.230 176.067 176.300 -0.005 0.000 1.190 85 D CA -0.245 53.759 54.000 0.006 0.000 0.867 85 D CB 0.446 41.256 40.800 0.017 0.000 1.050 85 D HN 0.127 nan 8.370 nan 0.000 0.491 86 A N 4.366 127.184 122.820 -0.004 0.000 2.498 86 A HA 0.210 4.530 4.320 -0.000 0.000 0.239 86 A C 0.416 177.981 177.584 -0.030 0.000 1.068 86 A CA -0.079 51.949 52.037 -0.016 0.000 0.766 86 A CB 0.338 19.335 19.000 -0.005 0.000 1.003 86 A HN 0.573 nan 8.150 nan 0.000 0.497 87 R N 2.360 122.803 120.500 -0.095 0.000 2.235 87 R HA 0.372 4.712 4.340 -0.000 0.000 0.338 87 R C -0.778 175.496 176.300 -0.043 0.000 1.087 87 R CA -0.114 55.841 56.100 -0.241 0.000 0.948 87 R CB 0.385 30.285 30.300 -0.666 0.000 1.099 87 R HN 0.636 nan 8.270 nan 0.000 0.483 88 L N 1.619 122.939 121.223 0.161 0.000 2.375 88 L HA 0.738 5.078 4.340 -0.000 0.000 0.268 88 L C 0.850 177.937 176.870 0.361 0.000 1.058 88 L CA -0.425 54.539 54.840 0.207 0.000 0.803 88 L CB 1.715 43.858 42.059 0.141 0.000 1.212 88 L HN 0.814 nan 8.230 nan 0.000 0.451 89 G N 0.178 109.136 108.800 0.262 0.000 2.341 89 G HA2 0.369 4.329 3.960 -0.000 0.000 0.293 89 G HA3 0.369 4.329 3.960 -0.000 0.000 0.293 89 G C -1.078 173.940 174.900 0.196 0.000 1.298 89 G CA -0.225 45.029 45.100 0.257 0.000 0.868 89 G HN 0.870 nan 8.290 nan 0.000 0.540 93 A N 3.371 126.152 122.820 -0.065 0.000 1.873 93 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 93 A C 1.088 178.612 177.584 -0.101 0.000 1.269 93 A CA 2.263 54.253 52.037 -0.079 0.000 0.671 93 A CB -0.453 18.509 19.000 -0.063 0.000 0.842 93 A HN 1.409 nan 8.150 nan 0.000 0.460 94 A N -2.184 120.590 122.820 -0.076 0.000 3.204 94 A HA 0.670 4.990 4.320 -0.000 0.000 0.327 94 A C 0.935 178.498 177.584 -0.034 0.000 0.998 94 A CA 0.682 52.675 52.037 -0.074 0.000 0.891 94 A CB -0.021 18.950 19.000 -0.048 0.000 1.061 94 A HN 1.268 nan 8.150 nan 0.000 0.478 95 A N 0.228 123.023 122.820 -0.042 0.000 2.067 95 A HA 0.177 4.497 4.320 -0.000 0.000 0.219 95 A C 2.016 179.702 177.584 0.169 0.000 1.158 95 A CA 1.815 53.882 52.037 0.050 0.000 0.661 95 A CB -0.388 18.666 19.000 0.090 0.000 0.801 95 A HN 1.059 nan 8.150 nan 0.000 0.452 96 G N -0.508 108.359 108.800 0.112 0.000 2.484 96 G HA2 0.040 4.000 3.960 -0.000 0.000 0.218 96 G HA3 0.040 4.000 3.960 -0.000 0.000 0.218 96 G C -0.103 174.940 174.900 0.238 0.000 1.130 96 G CA 0.419 45.695 45.100 0.293 0.000 0.784 96 G HN 0.444 nan 8.290 nan 0.000 0.543 97 D N -0.546 119.937 120.400 0.138 0.000 2.304 97 D HA 0.554 5.194 4.640 -0.000 0.000 0.250 97 D C -0.982 175.479 176.300 0.269 0.000 1.107 97 D CA -0.001 54.087 54.000 0.147 0.000 0.885 97 D CB 1.562 42.398 40.800 0.060 0.000 1.192 97 D HN 0.017 nan 8.370 nan 0.000 0.436 98 F N 1.270 121.281 119.950 0.102 0.000 2.654 98 F HA 0.152 4.679 4.527 -0.000 0.000 0.314 98 F C -1.636 174.255 175.800 0.151 0.000 1.116 98 F CA -1.062 56.995 58.000 0.096 0.000 1.017 98 F CB 1.636 40.718 39.000 0.136 0.000 1.285 98 F HN 0.071 nan 8.300 nan 0.000 0.448 99 D N 4.436 124.502 120.400 -0.557 0.000 2.453 99 D HA 0.460 5.100 4.640 -0.000 0.000 0.223 99 D C 0.708 176.455 176.300 -0.921 0.000 1.183 99 D CA 0.640 54.338 54.000 -0.503 0.000 0.933 99 D CB 1.421 42.094 40.800 -0.212 0.000 1.038 99 D HN 0.702 nan 8.370 nan 0.000 0.513 100 A N 3.017 125.423 122.820 -0.690 0.000 1.855 100 A HA 0.049 4.369 4.320 -0.000 0.000 0.213 100 A C 2.089 179.550 177.584 -0.205 0.000 1.195 100 A CA 1.345 53.061 52.037 -0.535 0.000 0.610 100 A CB -0.773 18.102 19.000 -0.208 0.000 0.837 100 A HN 0.546 nan 8.150 nan 0.000 0.444 101 G N -0.986 107.726 108.800 -0.148 0.000 2.503 101 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.221 101 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.221 101 G C 1.449 176.221 174.900 -0.214 0.000 1.131 101 G CA 1.273 46.295 45.100 -0.130 0.000 0.756 101 G HN 0.479 nan 8.290 nan 0.000 0.572 102 F N 0.531 120.201 119.950 -0.467 0.000 2.202 102 F HA 0.014 4.541 4.527 -0.000 0.000 0.301 102 F C 1.494 176.785 175.800 -0.848 0.000 1.082 102 F CA 1.057 58.586 58.000 -0.784 0.000 1.313 102 F CB -0.018 38.394 39.000 -0.981 0.000 1.024 102 F HN 0.119 nan 8.300 nan 0.000 0.495 103 F N 0.101 119.989 119.950 -0.104 0.000 2.641 103 F HA 0.360 4.887 4.527 -0.000 0.000 0.302 103 F C 1.581 177.348 175.800 -0.055 0.000 1.098 103 F CA 0.292 58.263 58.000 -0.048 0.000 1.318 103 F CB -0.029 39.029 39.000 0.098 0.000 1.035 103 F HN 0.023 nan 8.300 nan 0.000 0.551 104 G N 1.464 110.262 108.800 -0.003 0.000 2.176 104 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.252 104 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.252 104 G C 0.035 174.973 174.900 0.063 0.000 1.024 104 G CA -0.124 44.984 45.100 0.012 0.000 0.755 104 G HN 0.353 nan 8.290 nan 0.000 0.507 105 I N 1.704 122.310 120.570 0.059 0.000 2.336 105 I HA 0.387 4.557 4.170 -0.000 0.000 0.292 105 I C 1.174 177.268 176.117 -0.038 0.000 0.991 105 I CA -0.440 60.885 61.300 0.042 0.000 1.227 105 I CB 1.689 39.758 38.000 0.114 0.000 1.366 105 I HN 0.339 nan 8.210 nan 0.000 0.466 106 S N 7.634 123.290 115.700 -0.072 0.000 2.568 106 S HA 0.186 4.656 4.470 -0.000 0.000 0.282 106 S C -1.365 173.143 174.600 -0.153 0.000 1.338 106 S CA -0.893 57.252 58.200 -0.092 0.000 1.045 106 S CB 0.719 63.865 63.200 -0.089 0.000 0.873 106 S HN 0.512 nan 8.310 nan 0.000 0.516 107 P HA -0.154 nan 4.420 nan 0.000 0.219 107 P C 1.395 178.640 177.300 -0.092 0.000 1.146 107 P CA 1.015 64.098 63.100 -0.029 0.000 0.808 107 P CB 0.046 31.837 31.700 0.152 0.000 0.779 108 R N 0.516 120.943 120.500 -0.123 0.000 2.075 108 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 108 R C 2.446 178.507 176.300 -0.400 0.000 1.126 108 R CA 1.572 57.579 56.100 -0.155 0.000 0.963 108 R CB -0.300 29.952 30.300 -0.080 0.000 0.858 108 R HN 0.139 nan 8.270 nan 0.000 0.435 109 E N -0.088 119.677 120.200 -0.726 0.000 2.028 109 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 109 E C 1.798 178.135 176.600 -0.439 0.000 0.984 109 E CA 1.136 56.974 56.400 -0.937 0.000 0.800 109 E CB -0.173 28.989 29.700 -0.897 0.000 0.758 109 E HN 0.394 nan 8.360 nan 0.000 0.448 110 A N 1.089 123.671 122.820 -0.397 0.000 1.986 110 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 110 A C 2.146 179.499 177.584 -0.384 0.000 1.171 110 A CA 1.491 53.265 52.037 -0.439 0.000 0.640 110 A CB -0.727 17.850 19.000 -0.705 0.000 0.811 110 A HN 0.432 nan 8.150 nan 0.000 0.451 111 L N -0.738 120.344 121.223 -0.235 0.000 2.056 111 L HA 0.150 4.490 4.340 -0.000 0.000 0.207 111 L C 1.662 178.584 176.870 0.086 0.000 1.078 111 L CA 1.454 56.318 54.840 0.039 0.000 0.749 111 L CB -0.943 41.183 42.059 0.110 0.000 0.901 111 L HN 0.402 nan 8.230 nan 0.000 0.433 115 P HA -0.201 nan 4.420 nan 0.000 0.217 115 P C 1.193 178.318 177.300 -0.291 0.000 1.151 115 P CA 1.593 64.468 63.100 -0.376 0.000 0.849 115 P CB 0.256 31.884 31.700 -0.120 0.000 0.787 116 Q N -0.745 118.923 119.800 -0.221 0.000 2.152 116 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 116 Q C 2.294 178.169 176.000 -0.208 0.000 0.985 116 Q CA 1.374 57.080 55.803 -0.161 0.000 0.863 116 Q CB -0.515 28.165 28.738 -0.096 0.000 0.904 116 Q HN 0.493 nan 8.270 nan 0.000 0.422 117 Q N 0.075 119.714 119.800 -0.268 0.000 2.119 117 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 117 Q C 2.084 177.839 176.000 -0.407 0.000 0.972 117 Q CA 0.869 56.499 55.803 -0.288 0.000 0.847 117 Q CB 0.026 28.595 28.738 -0.283 0.000 0.903 117 Q HN 0.320 nan 8.270 nan 0.000 0.433 118 R N 0.510 120.661 120.500 -0.582 0.000 2.082 118 R HA -0.036 4.304 4.340 -0.000 0.000 0.228 118 R C 1.430 177.434 176.300 -0.494 0.000 1.140 118 R CA 0.627 56.168 56.100 -0.933 0.000 0.920 118 R CB -0.595 28.959 30.300 -1.243 0.000 0.828 118 R HN 0.146 nan 8.270 nan 0.000 0.430 122 E N 1.440 121.565 120.200 -0.124 0.000 2.023 122 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 122 E C 1.992 178.704 176.600 0.187 0.000 1.003 122 E CA 2.140 58.484 56.400 -0.093 0.000 0.809 122 E CB -0.031 29.443 29.700 -0.377 0.000 0.755 122 E HN 0.635 nan 8.360 nan 0.000 0.449 123 I N -0.878 119.748 120.570 0.093 0.000 2.493 123 I HA -0.142 4.028 4.170 -0.000 0.000 0.254 123 I C 2.212 178.428 176.117 0.165 0.000 1.160 123 I CA 0.893 62.271 61.300 0.130 0.000 1.445 123 I CB -0.191 37.825 38.000 0.026 0.000 1.086 123 I HN -0.140 nan 8.210 nan 0.000 0.433 124 S N 1.011 116.801 115.700 0.150 0.000 2.353 124 S HA -0.187 4.283 4.470 -0.000 0.000 0.222 124 S C 1.595 176.335 174.600 0.233 0.000 1.035 124 S CA 1.649 59.938 58.200 0.149 0.000 1.025 124 S CB -0.647 62.623 63.200 0.117 0.000 0.902 124 S HN 0.699 nan 8.310 nan 0.000 0.440 125 W N 2.641 124.079 121.300 0.230 0.000 2.332 125 W HA -0.174 4.486 4.660 -0.000 0.000 0.321 125 W C 2.001 178.671 176.519 0.251 0.000 1.219 125 W CA 1.786 59.320 57.345 0.314 0.000 1.277 125 W CB -0.669 29.101 29.460 0.516 0.000 1.161 125 W HN 0.443 nan 8.180 nan 0.000 0.476 126 E N 0.190 120.717 120.200 0.545 0.000 2.086 126 E HA -0.262 4.088 4.350 -0.000 0.000 0.200 126 E C 2.289 179.005 176.600 0.194 0.000 1.012 126 E CA 1.830 58.451 56.400 0.368 0.000 0.812 126 E CB -0.673 29.221 29.700 0.323 0.000 0.743 126 E HN 0.254 nan 8.360 nan 0.000 0.453 127 A N 1.248 124.157 122.820 0.148 0.000 1.877 127 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 127 A C 2.267 179.876 177.584 0.042 0.000 1.186 127 A CA 1.162 53.253 52.037 0.089 0.000 0.620 127 A CB -0.742 18.304 19.000 0.076 0.000 0.822 127 A HN 0.134 nan 8.150 nan 0.000 0.443 128 L N -0.541 120.670 121.223 -0.020 0.000 2.079 128 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 128 L C 2.639 179.488 176.870 -0.034 0.000 1.081 128 L CA 1.680 56.459 54.840 -0.103 0.000 0.752 128 L CB -0.551 41.357 42.059 -0.252 0.000 0.896 128 L HN 0.490 nan 8.230 nan 0.000 0.433 129 E N -0.178 119.995 120.200 -0.045 0.000 2.051 129 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 129 E C 2.312 178.943 176.600 0.052 0.000 0.991 129 E CA 1.031 57.442 56.400 0.019 0.000 0.799 129 E CB -0.070 29.685 29.700 0.092 0.000 0.748 129 E HN 0.437 nan 8.360 nan 0.000 0.449 130 R N 0.100 120.639 120.500 0.065 0.000 2.189 130 R HA -0.020 4.320 4.340 -0.000 0.000 0.223 130 R C 2.011 178.349 176.300 0.063 0.000 1.092 130 R CA 0.766 56.904 56.100 0.062 0.000 0.989 130 R CB -0.052 30.294 30.300 0.075 0.000 0.876 130 R HN 0.059 nan 8.270 nan 0.000 0.457 131 A N 0.245 123.118 122.820 0.089 0.000 2.208 131 A HA 0.171 4.491 4.320 -0.000 0.000 0.209 131 A C 1.245 178.905 177.584 0.126 0.000 1.161 131 A CA 0.805 52.920 52.037 0.129 0.000 0.782 131 A CB 0.021 19.130 19.000 0.181 0.000 0.816 131 A HN 0.409 nan 8.150 nan 0.000 0.477 132 G N -0.631 108.213 108.800 0.073 0.000 2.203 132 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.231 132 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.231 132 G C -0.231 174.593 174.900 -0.126 0.000 1.058 132 G CA 0.115 45.197 45.100 -0.030 0.000 0.781 132 G HN 0.724 nan 8.290 nan 0.000 0.496 133 H N -0.085 118.942 119.070 -0.072 0.000 2.469 133 H HA 0.376 4.932 4.556 -0.000 0.000 0.342 133 H C -0.800 174.453 175.328 -0.124 0.000 1.115 133 H CA -0.681 55.309 56.048 -0.096 0.000 1.204 133 H CB 2.059 31.753 29.762 -0.113 0.000 1.492 133 H HN 0.231 nan 8.280 nan 0.000 0.499 134 D N 4.110 124.504 120.400 -0.010 0.000 2.338 134 D HA 0.057 4.697 4.640 -0.000 0.000 0.255 134 D C -1.756 174.484 176.300 -0.100 0.000 1.237 134 D CA -2.158 51.815 54.000 -0.045 0.000 0.883 134 D CB 1.293 42.061 40.800 -0.053 0.000 1.087 134 D HN 0.215 nan 8.370 nan 0.000 0.485 135 P HA -0.149 nan 4.420 nan 0.000 0.218 135 P C 1.593 178.747 177.300 -0.243 0.000 1.148 135 P CA 0.455 63.250 63.100 -0.508 0.000 0.822 135 P CB 0.278 31.092 31.700 -1.477 0.000 0.784 136 V N 0.730 120.605 119.914 -0.065 0.000 2.380 136 V HA -0.296 3.824 4.120 -0.000 0.000 0.251 136 V C 2.479 178.576 176.094 0.004 0.000 1.063 136 V CA 2.505 64.840 62.300 0.058 0.000 1.055 136 V CB -1.905 29.946 31.823 0.047 0.000 0.657 136 V HN 0.318 nan 8.190 nan 0.000 0.455 137 S N -0.081 115.609 115.700 -0.017 0.000 2.469 137 S HA -0.052 4.418 4.470 -0.000 0.000 0.238 137 S C 1.639 176.247 174.600 0.013 0.000 0.998 137 S CA 1.199 59.400 58.200 0.001 0.000 0.957 137 S CB -0.592 62.612 63.200 0.006 0.000 0.764 137 S HN 0.594 nan 8.310 nan 0.000 0.514 138 L N 0.502 121.723 121.223 -0.004 0.000 2.591 138 L HA 0.227 4.567 4.340 -0.000 0.000 0.228 138 L C 0.931 177.801 176.870 -0.000 0.000 1.133 138 L CA -0.212 54.624 54.840 -0.008 0.000 0.880 138 L CB -0.240 41.782 42.059 -0.062 0.000 1.033 138 L HN 0.120 nan 8.230 nan 0.000 0.450 139 R N 0.606 121.113 120.500 0.011 0.000 2.585 139 R HA 0.174 4.514 4.340 -0.000 0.000 0.275 139 R C 1.261 177.570 176.300 0.015 0.000 1.018 139 R CA 0.785 56.896 56.100 0.018 0.000 1.072 139 R CB 0.031 30.345 30.300 0.023 0.000 0.953 139 R HN 0.289 nan 8.270 nan 0.000 0.419 140 G N 1.406 110.215 108.800 0.015 0.000 2.179 140 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 140 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 140 G C 0.163 175.073 174.900 0.017 0.000 0.977 140 G CA 0.443 45.553 45.100 0.017 0.000 0.641 140 G HN 0.736 nan 8.290 nan 0.000 0.533 141 S N -0.393 115.315 115.700 0.014 0.000 2.601 141 S HA 0.722 5.192 4.470 -0.000 0.000 0.271 141 S C 0.561 175.170 174.600 0.015 0.000 1.305 141 S CA 0.430 58.639 58.200 0.015 0.000 1.022 141 S CB 2.024 65.231 63.200 0.012 0.000 0.940 141 S HN 1.835 nan 8.310 nan 0.000 0.525 142 A N 2.657 125.489 122.820 0.020 0.000 2.915 142 A HA 0.507 4.827 4.320 -0.000 0.000 0.292 142 A C 0.217 177.816 177.584 0.026 0.000 1.632 142 A CA -0.525 51.526 52.037 0.023 0.000 1.337 142 A CB -1.117 17.900 19.000 0.028 0.000 1.111 142 A HN 0.759 nan 8.150 nan 0.000 0.569 143 T N 1.408 115.972 114.554 0.017 0.000 2.792 143 T HA 0.572 4.922 4.350 -0.000 0.000 0.280 143 T C 0.660 175.373 174.700 0.022 0.000 0.990 143 T CA 0.014 62.126 62.100 0.020 0.000 0.960 143 T CB 1.640 70.503 68.868 -0.008 0.000 0.939 143 T HN 0.708 nan 8.240 nan 0.000 0.439 144 G N 1.203 110.048 108.800 0.075 0.000 2.507 144 G HA2 0.542 4.502 3.960 -0.000 0.000 0.271 144 G HA3 0.542 4.502 3.960 -0.000 0.000 0.271 144 G C -0.875 174.012 174.900 -0.021 0.000 1.189 144 G CA -0.414 44.707 45.100 0.034 0.000 0.859 144 G HN 0.648 nan 8.290 nan 0.000 0.542 145 V N 1.260 121.009 119.914 -0.274 0.000 2.447 145 V HA 0.399 4.519 4.120 -0.000 0.000 0.292 145 V C -1.237 174.619 176.094 -0.395 0.000 1.021 145 V CA -0.554 61.642 62.300 -0.174 0.000 0.850 145 V CB 0.995 32.752 31.823 -0.109 0.000 1.005 145 V HN 0.571 nan 8.190 nan 0.000 0.426 146 F N 2.241 122.197 119.950 0.010 0.000 2.434 146 F HA 0.618 5.145 4.527 -0.000 0.000 0.355 146 F C 0.532 176.344 175.800 0.019 0.000 1.115 146 F CA -0.426 57.583 58.000 0.015 0.000 1.010 146 F CB 2.058 41.068 39.000 0.017 0.000 1.234 146 F HN 0.305 nan 8.300 nan 0.000 0.439 147 T N 1.954 116.584 114.554 0.127 0.000 2.840 147 T HA 0.518 4.868 4.350 -0.000 0.000 0.287 147 T C 0.240 174.985 174.700 0.076 0.000 0.991 147 T CA -0.887 61.263 62.100 0.082 0.000 0.964 147 T CB 1.549 70.433 68.868 0.026 0.000 0.954 147 T HN 0.733 nan 8.240 nan 0.000 0.438 148 G N 1.910 110.759 108.800 0.081 0.000 2.349 148 G HA2 0.540 4.500 3.960 -0.000 0.000 0.281 148 G HA3 0.540 4.500 3.960 -0.000 0.000 0.281 148 G C -0.739 174.192 174.900 0.051 0.000 1.182 148 G CA -0.253 44.891 45.100 0.072 0.000 0.899 148 G HN 0.661 nan 8.290 nan 0.000 0.455 149 V N 2.246 122.186 119.914 0.043 0.000 2.808 149 V HA 0.695 4.815 4.120 -0.000 0.000 0.308 149 V C 0.814 176.929 176.094 0.035 0.000 1.099 149 V CA 0.047 62.365 62.300 0.031 0.000 0.920 149 V CB 1.570 33.400 31.823 0.012 0.000 1.014 149 V HN 0.876 nan 8.190 nan 0.000 0.425 150 G N 1.838 110.660 108.800 0.037 0.000 2.766 150 G HA2 0.200 4.160 3.960 -0.000 0.000 0.206 150 G HA3 0.200 4.160 3.960 -0.000 0.000 0.206 150 G C 0.543 175.461 174.900 0.031 0.000 2.072 150 G CA 0.576 45.699 45.100 0.038 0.000 0.798 150 G HN 0.672 nan 8.290 nan 0.000 0.703 151 T N 0.054 114.629 114.554 0.035 0.000 2.926 151 T HA 0.403 4.753 4.350 -0.000 0.000 0.307 151 T C -0.636 174.085 174.700 0.034 0.000 1.059 151 T CA -0.167 61.953 62.100 0.034 0.000 1.122 151 T CB 0.630 69.525 68.868 0.043 0.000 0.972 151 T HN 0.125 nan 8.240 nan 0.000 0.545 152 V N 6.321 126.253 119.914 0.029 0.000 2.376 152 V HA 0.366 4.486 4.120 -0.000 0.000 0.287 152 V C -0.002 176.120 176.094 0.045 0.000 1.015 152 V CA -0.678 61.643 62.300 0.034 0.000 0.834 152 V CB 1.619 33.452 31.823 0.016 0.000 1.001 152 V HN 1.023 nan 8.190 nan 0.000 0.428 153 D N 2.600 123.045 120.400 0.075 0.000 2.720 153 D HA 0.014 4.654 4.640 -0.000 0.000 0.285 153 D C 0.551 176.893 176.300 0.071 0.000 1.359 153 D CA -0.302 53.735 54.000 0.062 0.000 0.818 153 D CB 0.243 41.081 40.800 0.063 0.000 1.108 153 D HN 0.415 nan 8.370 nan 0.000 0.474 154 Y N 1.794 122.051 120.300 -0.070 0.000 2.159 154 Y HA 0.289 4.839 4.550 -0.000 0.000 0.285 154 Y C 1.552 177.351 175.900 -0.168 0.000 1.106 154 Y CA 1.345 59.355 58.100 -0.151 0.000 1.095 154 Y CB -0.548 37.787 38.460 -0.207 0.000 1.015 154 Y HN 0.033 nan 8.280 nan 0.000 0.491 155 G N 0.912 109.468 108.800 -0.407 0.000 2.516 155 G HA2 0.347 4.307 3.960 -0.000 0.000 0.276 155 G HA3 0.347 4.307 3.960 -0.000 0.000 0.276 155 G C -2.514 172.171 174.900 -0.358 0.000 1.390 155 G CA -0.895 43.851 45.100 -0.590 0.000 1.050 155 G HN 0.251 nan 8.290 nan 0.000 0.519 156 P HA 0.305 nan 4.420 nan 0.000 0.282 156 P C -0.342 176.901 177.300 -0.095 0.000 1.259 156 P CA -0.653 62.362 63.100 -0.142 0.000 0.826 156 P CB 1.258 32.892 31.700 -0.111 0.000 1.064 157 R N 1.608 122.068 120.500 -0.065 0.000 2.784 157 R HA 0.050 4.390 4.340 -0.000 0.000 0.266 157 R C -1.385 174.893 176.300 -0.036 0.000 1.044 157 R CA -0.960 55.113 56.100 -0.044 0.000 1.151 157 R CB -0.820 29.459 30.300 -0.036 0.000 1.037 157 R HN 0.378 nan 8.270 nan 0.000 0.478 158 P HA -0.160 nan 4.420 nan 0.000 0.217 158 P C -0.072 177.216 177.300 -0.020 0.000 1.148 158 P CA 1.368 64.456 63.100 -0.020 0.000 0.828 158 P CB 0.187 31.875 31.700 -0.020 0.000 0.783 159 D N -1.132 119.256 120.400 -0.021 0.000 2.312 159 D HA -0.108 4.532 4.640 -0.000 0.000 0.211 159 D C 1.545 177.834 176.300 -0.018 0.000 0.964 159 D CA 0.792 54.781 54.000 -0.018 0.000 0.877 159 D CB -0.318 40.471 40.800 -0.018 0.000 0.924 159 D HN 0.479 nan 8.370 nan 0.000 0.515 160 E N -0.267 119.920 120.200 -0.022 0.000 2.601 160 E HA 0.298 4.648 4.350 -0.000 0.000 0.219 160 E C 0.255 176.842 176.600 -0.022 0.000 0.964 160 E CA -0.353 56.035 56.400 -0.021 0.000 1.050 160 E CB 0.409 30.094 29.700 -0.024 0.000 1.068 160 E HN 0.022 nan 8.360 nan 0.000 0.496 161 A N 2.877 125.683 122.820 -0.023 0.000 2.483 161 A HA 0.330 4.650 4.320 -0.000 0.000 0.238 161 A C -2.146 175.435 177.584 -0.004 0.000 1.070 161 A CA -0.954 51.071 52.037 -0.020 0.000 0.770 161 A CB -0.314 18.678 19.000 -0.013 0.000 1.008 161 A HN 0.063 nan 8.150 nan 0.000 0.497 162 P HA 0.006 nan 4.420 nan 0.000 0.269 162 P C 0.016 177.329 177.300 0.022 0.000 1.211 162 P CA -0.036 63.074 63.100 0.016 0.000 0.781 162 P CB 0.450 32.167 31.700 0.027 0.000 0.877 163 D N 0.882 121.296 120.400 0.022 0.000 2.183 163 D HA -0.118 4.522 4.640 -0.000 0.000 0.203 163 D C 1.358 177.680 176.300 0.037 0.000 0.969 163 D CA 1.171 55.184 54.000 0.022 0.000 0.842 163 D CB -0.130 40.679 40.800 0.016 0.000 0.957 163 D HN 0.544 nan 8.370 nan 0.000 0.484 164 E N 0.215 120.445 120.200 0.050 0.000 2.401 164 E HA -0.068 4.282 4.350 -0.000 0.000 0.199 164 E C 1.142 177.815 176.600 0.120 0.000 1.023 164 E CA 0.280 56.724 56.400 0.073 0.000 0.859 164 E CB 0.522 30.263 29.700 0.068 0.000 0.780 164 E HN 0.047 nan 8.360 nan 0.000 0.523 165 V N 0.859 120.843 119.914 0.116 0.000 3.159 165 V HA 0.100 4.220 4.120 -0.000 0.000 0.333 165 V C 1.185 177.377 176.094 0.163 0.000 1.424 165 V CA 0.051 62.458 62.300 0.179 0.000 1.125 165 V CB 0.251 32.140 31.823 0.110 0.000 1.075 165 V HN 0.179 nan 8.190 nan 0.000 0.482 166 L N 0.162 121.431 121.223 0.077 0.000 2.095 166 L HA 0.147 4.487 4.340 -0.000 0.000 0.204 166 L C 2.281 179.128 176.870 -0.039 0.000 1.080 166 L CA 1.781 56.630 54.840 0.014 0.000 0.759 166 L CB -0.303 41.752 42.059 -0.007 0.000 0.914 166 L HN 0.493 nan 8.230 nan 0.000 0.439 167 G N -1.914 106.802 108.800 -0.141 0.000 2.776 167 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.209 167 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.209 167 G C 0.637 175.334 174.900 -0.338 0.000 1.145 167 G CA 0.187 45.123 45.100 -0.273 0.000 0.791 167 G HN 0.393 nan 8.290 nan 0.000 0.530 168 Y N -0.954 119.333 120.300 -0.022 0.000 2.481 168 Y HA 0.284 4.834 4.550 -0.000 0.000 0.247 168 Y C 2.092 177.976 175.900 -0.026 0.000 1.151 168 Y CA -0.561 57.522 58.100 -0.028 0.000 1.238 168 Y CB 0.579 39.025 38.460 -0.024 0.000 1.179 168 Y HN 0.040 nan 8.280 nan 0.000 0.524 169 V N -0.716 119.258 119.914 0.100 0.000 2.302 169 V HA -0.113 4.007 4.120 -0.000 0.000 0.243 169 V C 2.442 178.555 176.094 0.032 0.000 1.036 169 V CA 2.064 64.400 62.300 0.061 0.000 1.020 169 V CB -1.022 30.818 31.823 0.028 0.000 0.657 169 V HN 0.485 nan 8.190 nan 0.000 0.453 170 G N -0.765 108.040 108.800 0.008 0.000 2.514 170 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.217 170 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.217 170 G C 1.765 176.661 174.900 -0.007 0.000 1.198 170 G CA 1.729 46.824 45.100 -0.007 0.000 0.780 170 G HN 0.395 nan 8.290 nan 0.000 0.565 171 T N 0.476 115.027 114.554 -0.005 0.000 2.881 171 T HA -0.007 4.343 4.350 -0.000 0.000 0.270 171 T C 2.329 177.022 174.700 -0.012 0.000 1.068 171 T CA 1.809 63.902 62.100 -0.011 0.000 1.131 171 T CB -0.469 68.397 68.868 -0.004 0.000 0.871 171 T HN 0.341 nan 8.240 nan 0.000 0.479 172 G N -0.025 108.781 108.800 0.011 0.000 2.572 172 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.216 172 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.216 172 G C 1.464 176.344 174.900 -0.033 0.000 1.133 172 G CA 1.268 46.358 45.100 -0.018 0.000 0.791 172 G HN 0.620 nan 8.290 nan 0.000 0.538 173 T N -2.557 111.993 114.554 -0.006 0.000 3.003 173 T HA 0.542 4.892 4.350 -0.000 0.000 0.261 173 T C 1.119 175.808 174.700 -0.017 0.000 1.003 173 T CA 0.367 62.466 62.100 -0.002 0.000 0.917 173 T CB 0.693 69.580 68.868 0.031 0.000 1.084 173 T HN 0.276 nan 8.240 nan 0.000 0.522 174 A N 1.897 124.702 122.820 -0.025 0.000 2.545 174 A HA 0.574 4.894 4.320 -0.000 0.000 0.297 174 A C 1.731 179.295 177.584 -0.034 0.000 1.340 174 A CA 0.198 52.219 52.037 -0.026 0.000 1.016 174 A CB -0.517 18.467 19.000 -0.028 0.000 1.122 174 A HN 0.297 nan 8.150 nan 0.000 0.537 175 S N 2.343 118.028 115.700 -0.026 0.000 2.565 175 S HA -0.351 4.118 4.470 -0.000 0.000 0.310 175 S C 2.371 176.952 174.600 -0.030 0.000 1.244 175 S CA 2.972 61.158 58.200 -0.025 0.000 1.170 175 S CB -0.537 62.657 63.200 -0.011 0.000 1.179 175 S HN 1.496 nan 8.310 nan 0.000 0.441 176 S N -0.005 115.678 115.700 -0.029 0.000 2.442 176 S HA -0.006 4.464 4.470 -0.000 0.000 0.236 176 S C 1.610 176.184 174.600 -0.044 0.000 1.007 176 S CA 1.199 59.379 58.200 -0.034 0.000 0.965 176 S CB -0.407 62.775 63.200 -0.031 0.000 0.773 176 S HN 0.415 nan 8.310 nan 0.000 0.504 177 V N 1.658 121.543 119.914 -0.048 0.000 3.217 177 V HA 0.152 4.272 4.120 -0.000 0.000 0.264 177 V C 2.785 178.839 176.094 -0.067 0.000 1.135 177 V CA 0.948 63.214 62.300 -0.056 0.000 1.142 177 V CB -1.163 30.623 31.823 -0.060 0.000 0.754 177 V HN 0.635 nan 8.190 nan 0.000 0.484 178 A N -0.091 122.688 122.820 -0.069 0.000 2.014 178 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 178 A C 2.438 179.983 177.584 -0.066 0.000 1.163 178 A CA 1.998 53.987 52.037 -0.081 0.000 0.652 178 A CB -0.278 18.678 19.000 -0.073 0.000 0.808 178 A HN 0.512 nan 8.150 nan 0.000 0.449 179 S N -0.558 115.109 115.700 -0.056 0.000 2.356 179 S HA 0.075 4.545 4.470 -0.000 0.000 0.219 179 S C 2.112 176.682 174.600 -0.050 0.000 1.036 179 S CA 0.747 58.911 58.200 -0.061 0.000 0.965 179 S CB -0.633 62.519 63.200 -0.080 0.000 0.864 179 S HN 0.678 nan 8.310 nan 0.000 0.471 180 G N 1.634 110.409 108.800 -0.042 0.000 2.408 180 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 180 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 180 G C 1.374 176.294 174.900 0.032 0.000 1.150 180 G CA 0.439 45.529 45.100 -0.016 0.000 0.776 180 G HN 0.358 nan 8.290 nan 0.000 0.542 181 R N -0.080 120.428 120.500 0.014 0.000 2.081 181 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 181 R C 2.638 178.989 176.300 0.085 0.000 1.131 181 R CA 1.269 57.408 56.100 0.065 0.000 0.960 181 R CB -0.367 29.926 30.300 -0.012 0.000 0.856 181 R HN 0.251 nan 8.270 nan 0.000 0.436 182 V N 1.041 120.963 119.914 0.015 0.000 2.332 182 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 182 V C 2.461 178.598 176.094 0.072 0.000 1.055 182 V CA 2.050 64.365 62.300 0.025 0.000 1.038 182 V CB -0.719 31.103 31.823 -0.000 0.000 0.651 182 V HN 0.534 nan 8.190 nan 0.000 0.450 183 A N -1.086 121.771 122.820 0.062 0.000 1.930 183 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 183 A C 2.156 179.809 177.584 0.115 0.000 1.175 183 A CA 1.920 53.996 52.037 0.065 0.000 0.627 183 A CB -0.723 18.297 19.000 0.033 0.000 0.815 183 A HN 0.650 nan 8.150 nan 0.000 0.443 184 Y N 0.216 120.532 120.300 0.027 0.000 2.145 184 Y HA -0.267 4.283 4.550 -0.000 0.000 0.286 184 Y C 2.514 178.465 175.900 0.085 0.000 1.145 184 Y CA 1.439 59.566 58.100 0.044 0.000 1.148 184 Y CB -0.900 37.579 38.460 0.031 0.000 0.981 184 Y HN 0.376 nan 8.280 nan 0.000 0.507 185 C N 0.591 119.882 119.300 -0.015 0.000 2.455 185 C HA -0.153 4.307 4.460 -0.000 0.000 0.281 185 C C 2.651 177.685 174.990 0.073 0.000 1.237 185 C CA 1.335 60.343 59.018 -0.016 0.000 1.726 185 C CB -1.462 26.417 27.740 0.232 0.000 2.068 185 C HN 0.580 nan 8.230 nan 0.000 0.466 186 L N 0.954 122.278 121.223 0.169 0.000 2.610 186 L HA 0.163 4.503 4.340 -0.000 0.000 0.232 186 L C 1.722 178.637 176.870 0.075 0.000 1.149 186 L CA 1.023 55.975 54.840 0.187 0.000 0.872 186 L CB -1.401 40.766 42.059 0.179 0.000 0.992 186 L HN 0.655 nan 8.230 nan 0.000 0.447 187 G N 1.263 110.078 108.800 0.025 0.000 2.198 187 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 187 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 187 G C 0.077 174.990 174.900 0.021 0.000 1.042 187 G CA -0.127 44.977 45.100 0.007 0.000 0.791 187 G HN 0.282 nan 8.290 nan 0.000 0.502 188 L N -0.763 120.475 121.223 0.026 0.000 2.326 188 L HA 0.466 4.806 4.340 -0.000 0.000 0.278 188 L C 1.217 178.096 176.870 0.015 0.000 1.092 188 L CA -0.350 54.499 54.840 0.015 0.000 0.810 188 L CB 1.016 43.079 42.059 0.007 0.000 1.153 188 L HN 0.244 nan 8.230 nan 0.000 0.439 189 E N 1.413 121.619 120.200 0.011 0.000 2.562 189 E HA 0.134 4.484 4.350 -0.000 0.000 0.214 189 E C 0.855 177.456 176.600 0.003 0.000 0.979 189 E CA -0.282 56.124 56.400 0.011 0.000 1.002 189 E CB 1.073 30.784 29.700 0.017 0.000 1.048 189 E HN 0.832 nan 8.360 nan 0.000 0.488 190 G N 3.059 111.858 108.800 -0.002 0.000 2.651 190 G HA2 0.169 4.129 3.960 -0.000 0.000 0.260 190 G HA3 0.169 4.129 3.960 -0.000 0.000 0.260 190 G C -2.260 172.608 174.900 -0.053 0.000 1.216 190 G CA -0.871 44.226 45.100 -0.005 0.000 0.913 190 G HN -0.103 nan 8.290 nan 0.000 0.535 191 P HA 0.381 nan 4.420 nan 0.000 0.268 191 P C -0.386 176.714 177.300 -0.335 0.000 1.204 191 P CA 0.087 63.097 63.100 -0.149 0.000 0.768 191 P CB 1.406 33.052 31.700 -0.091 0.000 0.842 195 V N 2.278 122.230 119.914 0.063 0.000 2.495 195 V HA 0.688 4.808 4.120 -0.000 0.000 0.298 195 V C -0.743 175.388 176.094 0.062 0.000 1.031 195 V CA -0.605 61.740 62.300 0.075 0.000 0.871 195 V CB 1.926 33.814 31.823 0.108 0.000 0.988 195 V HN 0.915 nan 8.190 nan 0.000 0.432 196 D N 2.471 122.903 120.400 0.053 0.000 2.440 196 D HA 0.466 5.106 4.640 -0.000 0.000 0.239 196 D C 0.167 176.498 176.300 0.051 0.000 1.084 196 D CA -0.172 53.857 54.000 0.049 0.000 0.843 196 D CB 1.965 42.787 40.800 0.037 0.000 1.097 196 D HN 0.505 nan 8.370 nan 0.000 0.531 197 T N 2.057 116.645 114.554 0.057 0.000 3.337 197 T HA 0.569 4.919 4.350 -0.000 0.000 0.299 197 T C 0.506 175.243 174.700 0.061 0.000 0.998 197 T CA 0.406 62.540 62.100 0.057 0.000 0.948 197 T CB -0.002 68.902 68.868 0.059 0.000 1.170 197 T HN 0.717 nan 8.240 nan 0.000 0.508 198 A N 0.581 123.437 122.820 0.061 0.000 5.821 198 A HA -0.297 4.023 4.320 -0.000 0.000 0.282 198 A C 2.019 179.654 177.584 0.086 0.000 2.032 198 A CA 1.007 53.085 52.037 0.069 0.000 0.715 198 A CB -1.886 17.158 19.000 0.074 0.000 1.178 198 A HN 0.592 nan 8.150 nan 0.000 0.370 199 C N -0.225 119.145 119.300 0.117 0.000 2.396 199 C HA -0.093 4.367 4.460 -0.000 0.000 0.279 199 C C 2.905 177.974 174.990 0.133 0.000 1.229 199 C CA 2.010 61.142 59.018 0.189 0.000 1.801 199 C CB -1.968 25.978 27.740 0.343 0.000 2.050 199 C HN 1.299 nan 8.230 nan 0.000 0.491 200 S N 0.298 116.047 115.700 0.081 0.000 2.548 200 S HA 0.007 4.477 4.470 -0.000 0.000 0.215 200 S C 1.478 176.112 174.600 0.057 0.000 0.976 200 S CA 0.734 58.959 58.200 0.042 0.000 0.908 200 S CB -0.317 62.895 63.200 0.020 0.000 0.781 200 S HN 0.605 nan 8.310 nan 0.000 0.519 201 S N 2.629 118.372 115.700 0.071 0.000 2.390 201 S HA -0.192 4.278 4.470 -0.000 0.000 0.234 201 S C 2.255 176.905 174.600 0.083 0.000 1.063 201 S CA 1.761 60.007 58.200 0.076 0.000 1.108 201 S CB -1.445 61.800 63.200 0.075 0.000 0.975 201 S HN 0.755 nan 8.310 nan 0.000 0.442 202 G N 1.968 110.820 108.800 0.086 0.000 2.681 202 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 202 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 202 G C 1.300 176.249 174.900 0.081 0.000 1.210 202 G CA 1.468 46.622 45.100 0.091 0.000 0.783 202 G HN 0.476 nan 8.290 nan 0.000 0.609 203 L N 0.019 121.278 121.223 0.061 0.000 2.072 203 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 203 L C 3.247 180.163 176.870 0.077 0.000 1.079 203 L CA 1.531 56.402 54.840 0.052 0.000 0.752 203 L CB -1.048 41.017 42.059 0.010 0.000 0.906 203 L HN 0.233 nan 8.230 nan 0.000 0.436 204 T N 0.414 115.012 114.554 0.073 0.000 2.665 204 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 204 T C 2.043 176.830 174.700 0.145 0.000 1.035 204 T CA 1.608 63.770 62.100 0.104 0.000 1.151 204 T CB -0.282 68.639 68.868 0.089 0.000 0.862 204 T HN 0.467 nan 8.240 nan 0.000 0.438 205 A N 1.200 124.094 122.820 0.123 0.000 1.877 205 A HA -0.015 4.304 4.320 -0.000 0.000 0.216 205 A C 2.316 179.934 177.584 0.058 0.000 1.186 205 A CA 1.588 53.707 52.037 0.136 0.000 0.620 205 A CB -0.991 18.102 19.000 0.154 0.000 0.822 205 A HN 0.506 nan 8.150 nan 0.000 0.443 206 L N -1.111 120.149 121.223 0.062 0.000 1.971 206 L HA -0.290 4.050 4.340 -0.000 0.000 0.215 206 L C 2.602 179.453 176.870 -0.032 0.000 1.072 206 L CA 2.854 57.704 54.840 0.017 0.000 0.758 206 L CB -0.600 41.489 42.059 0.051 0.000 0.889 206 L HN 0.697 nan 8.230 nan 0.000 0.433 207 H N -0.204 118.828 119.070 -0.062 0.000 2.325 207 H HA -0.272 4.284 4.556 -0.000 0.000 0.293 207 H C 2.037 177.281 175.328 -0.140 0.000 1.106 207 H CA 2.685 58.690 56.048 -0.072 0.000 1.247 207 H CB -0.389 29.358 29.762 -0.026 0.000 1.359 207 H HN 0.409 nan 8.280 nan 0.000 0.488 208 L N 0.059 121.117 121.223 -0.274 0.000 2.083 208 L HA -0.033 4.307 4.340 -0.000 0.000 0.209 208 L C 1.923 178.299 176.870 -0.823 0.000 1.083 208 L CA 0.417 55.001 54.840 -0.426 0.000 0.752 208 L CB -0.626 41.347 42.059 -0.144 0.000 0.899 208 L HN 0.413 nan 8.230 nan 0.000 0.433 212 S N 0.919 116.498 115.700 -0.202 0.000 2.368 212 S HA 0.040 4.510 4.470 -0.000 0.000 0.224 212 S C 2.002 176.578 174.600 -0.040 0.000 1.029 212 S CA 1.040 59.191 58.200 -0.082 0.000 0.988 212 S CB -0.079 63.094 63.200 -0.045 0.000 0.838 212 S HN 0.169 nan 8.310 nan 0.000 0.462 213 L N 0.521 121.701 121.223 -0.072 0.000 2.093 213 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 213 L C 2.580 179.429 176.870 -0.035 0.000 1.085 213 L CA 1.172 55.991 54.840 -0.035 0.000 0.755 213 L CB -0.388 41.644 42.059 -0.045 0.000 0.904 213 L HN 0.196 nan 8.230 nan 0.000 0.435 214 R N -0.470 119.994 120.500 -0.059 0.000 2.280 214 R HA -0.031 4.309 4.340 -0.000 0.000 0.207 214 R C 1.800 178.081 176.300 -0.030 0.000 1.043 214 R CA 0.571 56.640 56.100 -0.051 0.000 1.006 214 R CB 0.020 30.278 30.300 -0.070 0.000 0.885 214 R HN 0.263 nan 8.270 nan 0.000 0.467 215 R N -0.196 120.291 120.500 -0.023 0.000 2.437 215 R HA 0.045 4.385 4.340 -0.000 0.000 0.257 215 R C -0.439 175.867 176.300 0.009 0.000 0.927 215 R CA 0.009 56.105 56.100 -0.006 0.000 1.078 215 R CB 0.680 30.977 30.300 -0.006 0.000 1.161 215 R HN 0.087 nan 8.270 nan 0.000 0.529 216 D N 0.328 120.735 120.400 0.011 0.000 3.076 216 D HA -0.198 4.442 4.640 -0.000 0.000 0.218 216 D C 0.357 176.677 176.300 0.033 0.000 1.156 216 D CA 1.002 55.016 54.000 0.023 0.000 0.921 216 D CB -0.694 40.120 40.800 0.023 0.000 1.113 216 D HN 0.444 nan 8.370 nan 0.000 0.418 217 E N -0.693 119.533 120.200 0.043 0.000 2.265 217 E HA -0.088 4.262 4.350 -0.000 0.000 0.196 217 E C 1.114 177.756 176.600 0.070 0.000 0.996 217 E CA 1.395 57.832 56.400 0.062 0.000 0.832 217 E CB 0.089 29.846 29.700 0.095 0.000 0.756 217 E HN 0.666 nan 8.360 nan 0.000 0.491 218 C N -4.900 114.442 119.300 0.069 0.000 3.306 218 C HA 0.620 5.080 4.460 -0.000 0.000 0.335 218 C C 1.281 176.302 174.990 0.051 0.000 1.382 218 C CA -0.552 58.506 59.018 0.066 0.000 1.254 218 C CB 0.983 28.781 27.740 0.098 0.000 1.555 218 C HN 0.124 nan 8.230 nan 0.000 0.463 219 G N -0.551 108.276 108.800 0.045 0.000 2.719 219 G HA2 0.456 4.416 3.960 -0.000 0.000 0.211 219 G HA3 0.456 4.416 3.960 -0.000 0.000 0.211 219 G C -0.270 174.652 174.900 0.038 0.000 1.140 219 G CA 0.643 45.766 45.100 0.039 0.000 0.790 219 G HN 0.790 nan 8.290 nan 0.000 0.529 220 L N -0.341 120.905 121.223 0.038 0.000 2.424 220 L HA 0.834 5.174 4.340 -0.000 0.000 0.258 220 L C -1.240 175.663 176.870 0.054 0.000 0.995 220 L CA -0.676 54.179 54.840 0.024 0.000 0.821 220 L CB 2.359 44.407 42.059 -0.019 0.000 1.383 220 L HN 0.121 nan 8.230 nan 0.000 0.410 221 A N 3.413 126.268 122.820 0.060 0.000 2.547 221 A HA 0.742 5.062 4.320 -0.000 0.000 0.297 221 A C -1.979 175.671 177.584 0.109 0.000 1.056 221 A CA -0.440 51.677 52.037 0.133 0.000 0.688 221 A CB 1.350 20.457 19.000 0.179 0.000 1.282 221 A HN 0.577 nan 8.150 nan 0.000 0.400 222 L N 2.218 123.524 121.223 0.139 0.000 2.283 222 L HA 0.597 4.937 4.340 -0.000 0.000 0.281 222 L C 0.564 177.530 176.870 0.160 0.000 1.033 222 L CA -0.319 54.585 54.840 0.106 0.000 0.848 222 L CB 1.403 43.500 42.059 0.064 0.000 1.226 222 L HN 0.823 nan 8.230 nan 0.000 0.429 223 A N 2.824 125.724 122.820 0.134 0.000 2.289 223 A HA 0.852 5.172 4.320 -0.000 0.000 0.298 223 A C 0.330 177.979 177.584 0.108 0.000 1.208 223 A CA 0.039 52.158 52.037 0.136 0.000 0.845 223 A CB 0.819 19.866 19.000 0.079 0.000 1.125 223 A HN 0.739 nan 8.150 nan 0.000 0.517 224 G N 0.049 108.914 108.800 0.109 0.000 2.663 224 G HA2 0.768 4.728 3.960 -0.000 0.000 0.299 224 G HA3 0.768 4.728 3.960 -0.000 0.000 0.299 224 G C -0.527 174.421 174.900 0.079 0.000 1.372 224 G CA -0.063 45.087 45.100 0.084 0.000 0.781 224 G HN 1.593 nan 8.290 nan 0.000 0.491 225 G N -1.599 107.240 108.800 0.064 0.000 2.755 225 G HA2 0.688 4.648 3.960 -0.000 0.000 0.297 225 G HA3 0.688 4.648 3.960 -0.000 0.000 0.297 225 G C -1.579 173.343 174.900 0.037 0.000 1.441 225 G CA -0.139 44.998 45.100 0.062 0.000 0.964 225 G HN 1.410 nan 8.290 nan 0.000 0.540 226 V N -0.117 119.814 119.914 0.028 0.000 2.709 226 V HA 0.865 4.985 4.120 -0.000 0.000 0.308 226 V C -0.266 175.848 176.094 0.033 0.000 1.062 226 V CA -0.868 61.436 62.300 0.007 0.000 0.901 226 V CB 1.874 33.682 31.823 -0.026 0.000 1.003 226 V HN 0.814 nan 8.190 nan 0.000 0.425 227 T N 2.972 117.554 114.554 0.047 0.000 2.928 227 T HA 0.717 5.067 4.350 -0.000 0.000 0.296 227 T C -0.504 174.242 174.700 0.077 0.000 1.000 227 T CA -0.310 61.829 62.100 0.065 0.000 0.989 227 T CB 1.895 70.811 68.868 0.080 0.000 1.005 227 T HN 0.504 nan 8.240 nan 0.000 0.442 231 S N 1.976 117.895 115.700 0.364 0.000 2.648 231 S HA 0.684 5.154 4.470 -0.000 0.000 0.305 231 S C -2.788 171.517 174.600 -0.492 0.000 1.094 231 S CA -1.240 56.925 58.200 -0.059 0.000 0.983 231 S CB 1.845 65.005 63.200 -0.067 0.000 1.101 231 S HN 0.063 nan 8.310 nan 0.000 0.514 232 P HA 0.215 nan 4.420 nan 0.000 0.255 232 P C 1.374 178.545 177.300 -0.214 0.000 1.301 232 P CA 0.094 62.688 63.100 -0.843 0.000 0.817 232 P CB -0.579 30.487 31.700 -1.057 0.000 1.259 233 G N 1.656 110.361 108.800 -0.158 0.000 2.469 233 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.219 233 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.219 233 G C 1.662 176.559 174.900 -0.005 0.000 1.150 233 G CA 0.967 46.026 45.100 -0.068 0.000 0.763 233 G HN 0.361 nan 8.290 nan 0.000 0.561 234 A N 0.223 123.070 122.820 0.046 0.000 1.933 234 A HA 0.131 4.451 4.320 -0.000 0.000 0.218 234 A C 2.174 179.845 177.584 0.146 0.000 1.175 234 A CA 1.394 53.486 52.037 0.091 0.000 0.628 234 A CB -0.519 18.558 19.000 0.128 0.000 0.814 234 A HN 0.304 nan 8.150 nan 0.000 0.444 235 F N 0.842 120.851 119.950 0.098 0.000 2.069 235 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 235 F C 2.837 178.667 175.800 0.049 0.000 1.113 235 F CA 2.114 60.172 58.000 0.098 0.000 1.214 235 F CB -0.968 38.054 39.000 0.036 0.000 0.978 235 F HN 0.170 nan 8.300 nan 0.000 0.474 236 T N -0.558 114.096 114.554 0.166 0.000 2.684 236 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 236 T C 2.223 176.920 174.700 -0.005 0.000 1.036 236 T CA 1.815 63.948 62.100 0.055 0.000 1.148 236 T CB -0.924 67.942 68.868 -0.004 0.000 0.863 236 T HN 0.455 nan 8.240 nan 0.000 0.436 237 E N 1.002 121.153 120.200 -0.082 0.000 2.058 237 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 237 E C 1.710 178.140 176.600 -0.284 0.000 0.997 237 E CA 1.360 57.617 56.400 -0.237 0.000 0.801 237 E CB -1.202 28.262 29.700 -0.393 0.000 0.746 237 E HN 0.662 nan 8.360 nan 0.000 0.450 238 F N 0.021 119.976 119.950 0.009 0.000 2.780 238 F HA 0.241 4.768 4.527 -0.000 0.000 0.299 238 F C 2.342 178.120 175.800 -0.037 0.000 1.146 238 F CA 0.382 58.371 58.000 -0.019 0.000 1.428 238 F CB 0.301 39.275 39.000 -0.044 0.000 1.115 238 F HN 0.039 nan 8.300 nan 0.000 0.583 239 R N -1.313 119.272 120.500 0.143 0.000 2.313 239 R HA 0.072 4.412 4.340 -0.000 0.000 0.199 239 R C 1.797 178.126 176.300 0.049 0.000 0.958 239 R CA 0.451 56.608 56.100 0.095 0.000 1.047 239 R CB 0.015 30.380 30.300 0.109 0.000 0.955 239 R HN 0.107 nan 8.270 nan 0.000 0.481 240 S N -0.406 115.310 115.700 0.026 0.000 2.655 240 S HA 0.097 4.567 4.470 -0.000 0.000 0.231 240 S C 0.544 175.147 174.600 0.006 0.000 1.044 240 S CA -0.094 58.107 58.200 0.001 0.000 0.910 240 S CB 0.384 63.568 63.200 -0.028 0.000 0.833 240 S HN 0.141 nan 8.310 nan 0.000 0.581 241 Q N 1.096 120.896 119.800 0.000 0.000 2.624 241 Q HA 0.149 4.489 4.340 -0.000 0.000 0.256 241 Q C 0.935 176.976 176.000 0.068 0.000 1.119 241 Q CA 0.412 56.240 55.803 0.042 0.000 0.995 241 Q CB -0.218 28.565 28.738 0.074 0.000 1.318 241 Q HN 0.463 nan 8.270 nan 0.000 0.534 242 G N -0.821 108.018 108.800 0.064 0.000 2.580 242 G HA2 0.346 4.306 3.960 -0.000 0.000 0.225 242 G HA3 0.346 4.306 3.960 -0.000 0.000 0.225 242 G C 0.583 175.490 174.900 0.012 0.000 1.521 242 G CA 0.295 45.414 45.100 0.032 0.000 1.068 242 G HN 0.883 nan 8.290 nan 0.000 0.564 243 G N -2.270 106.483 108.800 -0.079 0.000 2.194 243 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.236 243 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.236 243 G C 0.330 174.888 174.900 -0.568 0.000 0.987 243 G CA 0.330 45.290 45.100 -0.233 0.000 0.635 243 G HN 0.570 nan 8.290 nan 0.000 0.520 244 L N 1.356 122.332 121.223 -0.412 0.000 2.312 244 L HA 0.700 5.040 4.340 -0.000 0.000 0.281 244 L C 1.128 177.851 176.870 -0.245 0.000 1.070 244 L CA -0.415 54.153 54.840 -0.453 0.000 0.805 244 L CB 1.548 43.458 42.059 -0.248 0.000 1.174 244 L HN 0.321 nan 8.230 nan 0.000 0.434 245 A N 2.334 125.024 122.820 -0.217 0.000 2.462 245 A HA 0.411 4.731 4.320 -0.000 0.000 0.243 245 A C 1.119 178.667 177.584 -0.061 0.000 1.076 245 A CA 0.377 52.346 52.037 -0.114 0.000 0.773 245 A CB 0.738 19.681 19.000 -0.095 0.000 1.010 245 A HN 0.965 nan 8.150 nan 0.000 0.493 246 A N 1.238 124.033 122.820 -0.042 0.000 2.019 246 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 246 A C 1.707 179.287 177.584 -0.007 0.000 1.164 246 A CA 1.838 53.867 52.037 -0.014 0.000 0.644 246 A CB -0.358 18.633 19.000 -0.014 0.000 0.805 246 A HN 0.857 nan 8.150 nan 0.000 0.449 247 D N -0.910 119.472 120.400 -0.031 0.000 2.219 247 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 247 D C 1.583 177.878 176.300 -0.007 0.000 0.970 247 D CA 1.542 55.519 54.000 -0.039 0.000 0.851 247 D CB -0.159 40.580 40.800 -0.101 0.000 0.943 247 D HN 0.576 nan 8.370 nan 0.000 0.488 248 G N 0.673 109.479 108.800 0.010 0.000 2.162 248 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 248 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 248 G C 0.316 175.237 174.900 0.036 0.000 0.976 248 G CA 0.279 45.413 45.100 0.056 0.000 0.655 248 G HN 0.346 nan 8.290 nan 0.000 0.533 249 R N -0.866 119.615 120.500 -0.033 0.000 2.621 249 R HA 0.524 4.864 4.340 -0.000 0.000 0.292 249 R C -0.315 175.939 176.300 -0.075 0.000 0.969 249 R CA -0.530 55.529 56.100 -0.068 0.000 0.887 249 R CB 1.559 31.703 30.300 -0.260 0.000 1.180 249 R HN 0.187 nan 8.270 nan 0.000 0.450 250 C N 2.330 121.631 119.300 0.000 0.000 2.514 250 C HA 0.232 4.692 4.460 -0.000 0.000 0.392 250 C C 0.451 175.454 174.990 0.021 0.000 1.294 250 C CA -0.549 58.472 59.018 0.005 0.000 1.957 250 C CB -0.237 27.511 27.740 0.013 0.000 2.541 250 C HN 0.641 nan 8.230 nan 0.000 0.569 251 K N 3.271 123.665 120.400 -0.009 0.000 2.800 251 K HA 0.240 4.560 4.320 -0.000 0.000 0.185 251 K C -2.620 173.981 176.600 0.002 0.000 1.082 251 K CA -1.144 55.179 56.287 0.060 0.000 0.978 251 K CB 0.255 32.778 32.500 0.039 0.000 1.364 251 K HN 0.465 nan 8.250 nan 0.000 0.592 252 P HA -0.081 nan 4.420 nan 0.000 0.258 252 P C -0.326 176.767 177.300 -0.345 0.000 1.172 252 P CA 0.410 63.183 63.100 -0.545 0.000 0.762 252 P CB 0.129 31.337 31.700 -0.820 0.000 0.764 253 F N -0.513 119.592 119.950 0.258 0.000 2.619 253 F HA -0.259 4.268 4.527 -0.000 0.000 0.425 253 F C 1.133 177.139 175.800 0.343 0.000 0.575 253 F CA 1.043 59.275 58.000 0.385 0.000 1.289 253 F CB -2.823 36.557 39.000 0.634 0.000 1.859 253 F HN 0.353 nan 8.300 nan 0.000 0.280 254 S N 0.880 116.721 115.700 0.234 0.000 2.617 254 S HA 0.367 4.837 4.470 -0.000 0.000 0.269 254 S C 1.240 175.821 174.600 -0.032 0.000 1.292 254 S CA -0.174 57.947 58.200 -0.133 0.000 1.010 254 S CB 2.065 65.177 63.200 -0.147 0.000 0.944 254 S HN 0.379 nan 8.310 nan 0.000 0.536 255 K N 1.117 121.460 120.400 -0.095 0.000 2.113 255 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 255 K C 1.730 178.316 176.600 -0.023 0.000 1.047 255 K CA 1.420 57.689 56.287 -0.030 0.000 0.928 255 K CB -0.775 31.697 32.500 -0.047 0.000 0.716 255 K HN 0.829 nan 8.250 nan 0.000 0.446 256 A N 0.529 123.324 122.820 -0.041 0.000 2.261 256 A HA 0.235 4.555 4.320 -0.000 0.000 0.208 256 A C 0.471 178.042 177.584 -0.022 0.000 1.223 256 A CA 0.484 52.505 52.037 -0.026 0.000 0.833 256 A CB -0.478 18.508 19.000 -0.023 0.000 0.830 256 A HN 0.371 nan 8.150 nan 0.000 0.483 257 A N 0.305 123.118 122.820 -0.011 0.000 2.444 257 A HA 0.391 4.710 4.320 -0.000 0.000 0.273 257 A C 0.505 178.075 177.584 -0.023 0.000 1.136 257 A CA -0.106 51.923 52.037 -0.014 0.000 0.799 257 A CB 0.143 19.146 19.000 0.004 0.000 1.081 257 A HN 0.404 nan 8.150 nan 0.000 0.509 258 D N 1.859 122.234 120.400 -0.041 0.000 2.290 258 D HA 0.333 4.973 4.640 -0.000 0.000 0.224 258 D C 1.032 177.291 176.300 -0.068 0.000 0.967 258 D CA 1.726 55.696 54.000 -0.051 0.000 0.893 258 D CB 0.234 40.996 40.800 -0.064 0.000 1.037 258 D HN 0.867 nan 8.370 nan 0.000 0.477 259 G N -0.110 108.639 108.800 -0.085 0.000 2.316 259 G HA2 0.333 4.293 3.960 -0.000 0.000 0.296 259 G HA3 0.333 4.293 3.960 -0.000 0.000 0.296 259 G C -1.143 173.678 174.900 -0.130 0.000 1.399 259 G CA -0.738 44.273 45.100 -0.149 0.000 0.833 259 G HN 0.058 nan 8.290 nan 0.000 0.565 260 F N -0.136 119.753 119.950 -0.101 0.000 2.368 260 F HA 0.811 5.338 4.527 -0.000 0.000 0.308 260 F C 0.640 176.376 175.800 -0.108 0.000 1.198 260 F CA -1.020 56.917 58.000 -0.105 0.000 1.130 260 F CB 0.843 39.783 39.000 -0.100 0.000 1.300 260 F HN 0.722 nan 8.300 nan 0.000 0.537 261 G N 1.429 110.392 108.800 0.272 0.000 2.544 261 G HA2 0.561 4.521 3.960 -0.000 0.000 0.313 261 G HA3 0.561 4.521 3.960 -0.000 0.000 0.313 261 G C -1.331 173.696 174.900 0.211 0.000 1.316 261 G CA -0.961 44.236 45.100 0.162 0.000 0.944 261 G HN 0.796 nan 8.290 nan 0.000 0.489 262 L N 1.605 122.874 121.223 0.077 0.000 2.455 262 L HA 0.467 4.807 4.340 -0.000 0.000 0.272 262 L C 0.877 177.777 176.870 0.050 0.000 1.174 262 L CA 0.192 55.008 54.840 -0.040 0.000 0.869 262 L CB 0.924 42.759 42.059 -0.374 0.000 1.130 262 L HN 0.654 nan 8.230 nan 0.000 0.474 263 A N 3.783 126.644 122.820 0.069 0.000 2.504 263 A HA 0.888 5.208 4.320 -0.000 0.000 0.285 263 A C -1.285 176.380 177.584 0.135 0.000 1.261 263 A CA -0.583 51.532 52.037 0.130 0.000 0.741 263 A CB 1.718 20.803 19.000 0.141 0.000 1.327 263 A HN 0.711 nan 8.150 nan 0.000 0.441 264 E N -1.015 119.278 120.200 0.155 0.000 2.366 264 E HA 0.680 5.030 4.350 -0.000 0.000 0.278 264 E C -0.358 176.334 176.600 0.154 0.000 0.923 264 E CA -0.709 55.779 56.400 0.146 0.000 0.761 264 E CB 1.977 31.766 29.700 0.147 0.000 1.231 264 E HN 1.548 nan 8.360 nan 0.000 0.443 265 G N 0.045 108.915 108.800 0.118 0.000 2.430 265 G HA2 0.684 4.644 3.960 -0.000 0.000 0.300 265 G HA3 0.684 4.644 3.960 -0.000 0.000 0.300 265 G C -1.835 172.989 174.900 -0.128 0.000 1.330 265 G CA -0.360 44.767 45.100 0.046 0.000 0.813 265 G HN 0.948 nan 8.290 nan 0.000 0.487 266 A N -1.113 121.402 122.820 -0.509 0.000 2.518 266 A HA 0.886 5.206 4.320 -0.000 0.000 0.295 266 A C -0.290 176.991 177.584 -0.505 0.000 1.052 266 A CA 0.409 52.222 52.037 -0.373 0.000 0.824 266 A CB 1.274 20.107 19.000 -0.279 0.000 1.325 266 A HN 2.286 nan 8.150 nan 0.000 0.394 267 G N 0.107 108.803 108.800 -0.174 0.000 2.659 267 G HA2 0.753 4.713 3.960 -0.000 0.000 0.296 267 G HA3 0.753 4.713 3.960 -0.000 0.000 0.296 267 G C -1.428 173.487 174.900 0.026 0.000 1.369 267 G CA -0.569 44.498 45.100 -0.055 0.000 0.937 267 G HN 1.410 nan 8.290 nan 0.000 0.485 268 V N 0.476 120.420 119.914 0.050 0.000 2.971 268 V HA 0.647 4.767 4.120 -0.000 0.000 0.309 268 V C -1.177 174.967 176.094 0.083 0.000 1.130 268 V CA -0.840 61.499 62.300 0.065 0.000 0.964 268 V CB 2.009 33.862 31.823 0.051 0.000 1.029 268 V HN 0.636 nan 8.190 nan 0.000 0.427 269 L N 2.704 123.975 121.223 0.080 0.000 2.381 269 L HA 0.622 4.962 4.340 -0.000 0.000 0.274 269 L C -0.262 176.643 176.870 0.059 0.000 0.988 269 L CA -0.262 54.623 54.840 0.075 0.000 0.824 269 L CB 2.085 44.189 42.059 0.076 0.000 1.263 269 L HN 0.482 nan 8.230 nan 0.000 0.410 270 V N 4.835 124.777 119.914 0.047 0.000 2.488 270 V HA 0.381 4.501 4.120 -0.000 0.000 0.277 270 V C 0.178 176.290 176.094 0.030 0.000 1.046 270 V CA -0.322 61.993 62.300 0.026 0.000 0.986 270 V CB 0.988 32.813 31.823 0.005 0.000 0.989 270 V HN 0.477 nan 8.190 nan 0.000 0.475 271 L N 4.920 126.159 121.223 0.026 0.000 2.354 271 L HA 0.710 5.050 4.340 -0.000 0.000 0.269 271 L C -0.488 176.393 176.870 0.019 0.000 1.005 271 L CA -0.461 54.391 54.840 0.020 0.000 0.819 271 L CB 2.146 44.210 42.059 0.008 0.000 1.311 271 L HN 0.659 nan 8.230 nan 0.000 0.423 272 Q N 1.811 121.621 119.800 0.017 0.000 2.352 272 Q HA 0.276 4.616 4.340 -0.000 0.000 0.270 272 Q C -0.936 175.072 176.000 0.013 0.000 1.006 272 Q CA -0.911 54.905 55.803 0.022 0.000 0.880 272 Q CB 2.597 31.360 28.738 0.041 0.000 1.392 272 Q HN 0.513 nan 8.270 nan 0.000 0.401 273 R N 2.547 123.054 120.500 0.010 0.000 2.584 273 R HA -0.163 4.177 4.340 -0.000 0.000 0.315 273 R C 1.268 177.579 176.300 0.019 0.000 0.863 273 R CA 0.047 56.151 56.100 0.008 0.000 1.139 273 R CB 0.202 30.512 30.300 0.017 0.000 0.880 273 R HN 0.679 nan 8.270 nan 0.000 0.413 274 L N 4.318 125.549 121.223 0.012 0.000 2.021 274 L HA -0.296 4.044 4.340 -0.000 0.000 0.215 274 L C 2.131 179.022 176.870 0.036 0.000 1.074 274 L CA 2.620 57.472 54.840 0.021 0.000 0.760 274 L CB -0.698 41.372 42.059 0.018 0.000 0.889 274 L HN 0.867 nan 8.230 nan 0.000 0.433 275 S N -0.541 115.192 115.700 0.055 0.000 2.368 275 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 275 S C 2.148 176.774 174.600 0.044 0.000 1.030 275 S CA 0.975 59.212 58.200 0.061 0.000 0.999 275 S CB -1.137 62.121 63.200 0.096 0.000 0.844 275 S HN 0.605 nan 8.310 nan 0.000 0.459 276 A N 2.236 125.082 122.820 0.043 0.000 1.908 276 A HA 0.230 4.550 4.320 -0.000 0.000 0.218 276 A C 2.569 180.174 177.584 0.035 0.000 1.181 276 A CA 1.944 54.003 52.037 0.038 0.000 0.627 276 A CB -1.535 17.489 19.000 0.041 0.000 0.818 276 A HN 0.951 nan 8.150 nan 0.000 0.445 277 A N -0.624 122.217 122.820 0.034 0.000 1.930 277 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 277 A C 2.207 179.803 177.584 0.020 0.000 1.175 277 A CA 1.415 53.470 52.037 0.031 0.000 0.627 277 A CB -0.393 18.626 19.000 0.031 0.000 0.815 277 A HN 0.400 nan 8.150 nan 0.000 0.443 278 R N -0.356 120.155 120.500 0.019 0.000 2.070 278 R HA -0.113 4.227 4.340 -0.000 0.000 0.233 278 R C 2.310 178.616 176.300 0.010 0.000 1.137 278 R CA 1.723 57.830 56.100 0.012 0.000 0.945 278 R CB -0.942 29.366 30.300 0.014 0.000 0.845 278 R HN 0.686 nan 8.270 nan 0.000 0.430 279 R N 1.389 121.897 120.500 0.014 0.000 2.105 279 R HA -0.120 4.220 4.340 -0.000 0.000 0.239 279 R C 1.286 177.591 176.300 0.009 0.000 1.135 279 R CA 1.655 57.762 56.100 0.012 0.000 0.967 279 R CB 0.008 30.317 30.300 0.016 0.000 0.861 279 R HN 0.320 nan 8.270 nan 0.000 0.442 280 E N -0.958 119.248 120.200 0.010 0.000 2.476 280 E HA 0.076 4.426 4.350 -0.000 0.000 0.191 280 E C 0.519 177.115 176.600 -0.008 0.000 1.064 280 E CA 0.346 56.746 56.400 0.001 0.000 0.866 280 E CB 0.538 30.240 29.700 0.003 0.000 0.952 280 E HN 0.635 nan 8.360 nan 0.000 0.492 281 G N 2.596 111.394 108.800 -0.002 0.000 2.203 281 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.263 281 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.263 281 G C 0.119 175.015 174.900 -0.007 0.000 1.012 281 G CA 0.234 45.331 45.100 -0.004 0.000 0.749 281 G HN 0.177 nan 8.290 nan 0.000 0.512 282 R N 0.531 121.028 120.500 -0.004 0.000 2.531 282 R HA 0.399 4.739 4.340 -0.000 0.000 0.273 282 R C -2.131 174.172 176.300 0.004 0.000 1.070 282 R CA -1.454 54.645 56.100 -0.002 0.000 1.112 282 R CB 0.696 31.006 30.300 0.017 0.000 1.049 282 R HN 0.157 nan 8.270 nan 0.000 0.508 283 P HA 0.048 nan 4.420 nan 0.000 0.276 283 P C -0.574 176.728 177.300 0.003 0.000 1.243 283 P CA -0.079 63.022 63.100 0.000 0.000 0.768 283 P CB 0.833 32.535 31.700 0.003 0.000 0.856 284 V N 6.029 125.938 119.914 -0.009 0.000 2.318 284 V HA 0.083 4.203 4.120 -0.000 0.000 0.271 284 V C 1.831 177.909 176.094 -0.028 0.000 1.030 284 V CA -0.160 62.134 62.300 -0.010 0.000 0.844 284 V CB 0.745 32.561 31.823 -0.012 0.000 1.015 284 V HN 0.506 nan 8.190 nan 0.000 0.460 285 L N 3.829 125.039 121.223 -0.022 0.000 2.023 285 L HA 0.189 4.529 4.340 -0.000 0.000 0.205 285 L C 1.123 177.958 176.870 -0.058 0.000 1.073 285 L CA 1.733 56.548 54.840 -0.042 0.000 0.745 285 L CB -0.156 41.892 42.059 -0.018 0.000 0.900 285 L HN 0.755 nan 8.230 nan 0.000 0.435 286 A N -1.455 121.345 122.820 -0.033 0.000 2.529 286 A HA 0.677 4.997 4.320 -0.000 0.000 0.296 286 A C -1.551 176.025 177.584 -0.013 0.000 1.205 286 A CA -0.393 51.623 52.037 -0.035 0.000 0.671 286 A CB 1.622 20.605 19.000 -0.028 0.000 1.301 286 A HN -0.215 nan 8.150 nan 0.000 0.450 287 V N 0.948 120.858 119.914 -0.007 0.000 2.525 287 V HA 0.377 4.497 4.120 -0.000 0.000 0.299 287 V C -0.775 175.327 176.094 0.014 0.000 1.034 287 V CA -0.233 62.069 62.300 0.002 0.000 0.863 287 V CB 1.364 33.187 31.823 0.000 0.000 0.999 287 V HN 0.682 nan 8.190 nan 0.000 0.423 288 L N 4.893 126.125 121.223 0.015 0.000 2.319 288 L HA 0.492 4.832 4.340 -0.000 0.000 0.280 288 L C 1.176 178.056 176.870 0.017 0.000 1.099 288 L CA 0.010 54.862 54.840 0.021 0.000 0.828 288 L CB 0.915 42.984 42.059 0.017 0.000 1.150 288 L HN 0.637 nan 8.230 nan 0.000 0.442 289 R N 1.432 121.950 120.500 0.030 0.000 2.316 289 R HA 0.334 4.674 4.340 -0.000 0.000 0.201 289 R C 0.186 176.505 176.300 0.032 0.000 0.888 289 R CA 0.335 56.451 56.100 0.027 0.000 1.041 289 R CB 1.014 31.338 30.300 0.041 0.000 1.115 289 R HN 0.818 nan 8.270 nan 0.000 0.559 290 G N -0.570 108.260 108.800 0.050 0.000 2.596 290 G HA2 0.379 4.339 3.960 -0.000 0.000 0.296 290 G HA3 0.379 4.339 3.960 -0.000 0.000 0.296 290 G C -1.455 173.502 174.900 0.095 0.000 1.513 290 G CA -0.161 44.979 45.100 0.066 0.000 0.851 290 G HN 0.146 nan 8.290 nan 0.000 0.548 291 S N -0.751 115.026 115.700 0.128 0.000 2.685 291 S HA 1.006 5.476 4.470 -0.000 0.000 0.282 291 S C -0.476 174.200 174.600 0.127 0.000 1.159 291 S CA -0.093 58.197 58.200 0.150 0.000 0.833 291 S CB 2.019 65.358 63.200 0.232 0.000 1.151 291 S HN 2.551 nan 8.310 nan 0.000 0.485 292 A N 0.256 123.087 122.820 0.019 0.000 2.589 292 A HA 0.760 5.080 4.320 -0.000 0.000 0.296 292 A C -1.634 175.836 177.584 -0.190 0.000 1.062 292 A CA -0.678 51.314 52.037 -0.075 0.000 0.686 292 A CB 1.495 20.506 19.000 0.019 0.000 1.282 292 A HN 1.330 nan 8.150 nan 0.000 0.404 293 V N 2.740 122.501 119.914 -0.255 0.000 2.686 293 V HA 0.616 4.736 4.120 -0.000 0.000 0.306 293 V C -0.228 175.821 176.094 -0.075 0.000 1.065 293 V CA -0.229 61.959 62.300 -0.187 0.000 0.894 293 V CB 1.823 33.465 31.823 -0.301 0.000 1.004 293 V HN 1.184 nan 8.190 nan 0.000 0.424 294 N N 2.885 121.570 118.700 -0.025 0.000 2.902 294 N HA 0.531 5.271 4.740 -0.000 0.000 0.268 294 N C -1.578 173.932 175.510 0.000 0.000 1.450 294 N CA -1.050 51.993 53.050 -0.011 0.000 0.819 294 N CB 2.084 40.563 38.487 -0.013 0.000 1.540 294 N HN 0.415 nan 8.380 nan 0.000 0.545 295 Q N 0.141 119.939 119.800 -0.003 0.000 2.301 295 Q HA 0.154 4.494 4.340 -0.000 0.000 0.267 295 Q C -0.721 175.269 176.000 -0.016 0.000 1.035 295 Q CA -0.306 55.496 55.803 -0.002 0.000 0.856 295 Q CB 1.864 30.603 28.738 0.002 0.000 1.337 295 Q HN 0.864 nan 8.270 nan 0.000 0.450 296 D N 0.281 120.669 120.400 -0.020 0.000 2.339 296 D HA 0.143 4.783 4.640 -0.000 0.000 0.217 296 D C 0.979 177.263 176.300 -0.026 0.000 1.050 296 D CA 0.620 54.597 54.000 -0.038 0.000 0.856 296 D CB 0.198 40.959 40.800 -0.066 0.000 0.922 296 D HN 0.777 nan 8.370 nan 0.000 0.518 297 G N 0.926 109.718 108.800 -0.014 0.000 2.514 297 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.265 297 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.265 297 G C 0.346 175.241 174.900 -0.007 0.000 1.150 297 G CA 0.407 45.501 45.100 -0.010 0.000 0.959 297 G HN 1.010 nan 8.290 nan 0.000 0.556 298 A N 0.821 123.635 122.820 -0.009 0.000 3.078 298 A HA 0.701 5.021 4.320 -0.000 0.000 0.279 298 A C 0.992 178.572 177.584 -0.008 0.000 1.594 298 A CA 1.210 53.243 52.037 -0.006 0.000 1.301 298 A CB -0.902 18.095 19.000 -0.006 0.000 1.162 298 A HN 2.114 nan 8.150 nan 0.000 0.585 299 S N 0.633 116.329 115.700 -0.006 0.000 2.646 299 S HA 0.188 4.658 4.470 -0.000 0.000 0.273 299 S C 0.940 175.540 174.600 0.000 0.000 1.168 299 S CA -0.558 57.638 58.200 -0.006 0.000 1.013 299 S CB 0.199 63.395 63.200 -0.006 0.000 1.098 299 S HN 0.473 nan 8.310 nan 0.000 0.544 300 N N 1.007 119.709 118.700 0.003 0.000 2.519 300 N HA 0.174 4.914 4.740 -0.000 0.000 0.186 300 N C 0.675 176.194 175.510 0.015 0.000 1.062 300 N CA 1.078 54.133 53.050 0.008 0.000 0.910 300 N CB -0.454 38.040 38.487 0.011 0.000 0.958 300 N HN 0.866 nan 8.380 nan 0.000 0.445 301 G N -1.142 107.669 108.800 0.018 0.000 2.377 301 G HA2 0.171 4.131 3.960 -0.000 0.000 0.297 301 G HA3 0.171 4.131 3.960 -0.000 0.000 0.297 301 G C 0.139 175.056 174.900 0.029 0.000 1.547 301 G CA -0.716 44.399 45.100 0.024 0.000 0.833 301 G HN 0.012 nan 8.290 nan 0.000 0.583 302 L N 0.937 122.179 121.223 0.030 0.000 2.051 302 L HA -0.029 4.311 4.340 -0.000 0.000 0.214 302 L C 2.800 179.700 176.870 0.050 0.000 1.076 302 L CA 3.632 58.492 54.840 0.034 0.000 0.758 302 L CB -0.532 41.545 42.059 0.031 0.000 0.890 302 L HN 0.925 nan 8.230 nan 0.000 0.433 303 T N -3.046 111.547 114.554 0.065 0.000 3.107 303 T HA 0.450 4.800 4.350 -0.000 0.000 0.249 303 T C 0.768 175.523 174.700 0.092 0.000 1.096 303 T CA 0.093 62.250 62.100 0.094 0.000 1.012 303 T CB -0.519 68.425 68.868 0.127 0.000 0.977 303 T HN 0.397 nan 8.240 nan 0.000 0.527 304 A N 3.674 126.532 122.820 0.064 0.000 2.409 304 A HA 0.595 4.915 4.320 -0.000 0.000 0.262 304 A C -2.163 175.442 177.584 0.034 0.000 1.113 304 A CA -1.623 50.445 52.037 0.052 0.000 0.790 304 A CB 0.186 19.206 19.000 0.034 0.000 1.046 304 A HN 0.314 nan 8.150 nan 0.000 0.496 305 P HA 0.213 nan 4.420 nan 0.000 0.277 305 P C -0.445 176.823 177.300 -0.053 0.000 1.240 305 P CA -0.184 62.902 63.100 -0.024 0.000 0.798 305 P CB 1.391 33.080 31.700 -0.019 0.000 0.979 306 S N 0.894 116.534 115.700 -0.101 0.000 2.669 306 S HA 0.438 4.908 4.470 -0.000 0.000 0.315 306 S C 1.537 176.050 174.600 -0.144 0.000 1.106 306 S CA -0.197 57.946 58.200 -0.095 0.000 1.107 306 S CB 0.128 63.286 63.200 -0.070 0.000 0.990 306 S HN 0.547 nan 8.310 nan 0.000 0.471 307 G N 5.616 114.346 108.800 -0.117 0.000 2.505 307 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.220 307 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.220 307 G C -1.071 173.759 174.900 -0.116 0.000 1.145 307 G CA 1.093 46.121 45.100 -0.120 0.000 0.761 307 G HN 0.649 nan 8.290 nan 0.000 0.571 308 P HA -0.028 nan 4.420 nan 0.000 0.216 308 P C 2.156 179.398 177.300 -0.096 0.000 1.150 308 P CA 1.936 64.987 63.100 -0.082 0.000 0.837 308 P CB -0.135 31.527 31.700 -0.064 0.000 0.786 309 A N -0.408 122.346 122.820 -0.111 0.000 1.929 309 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 309 A C 2.237 179.732 177.584 -0.148 0.000 1.176 309 A CA 1.326 53.296 52.037 -0.111 0.000 0.628 309 A CB -1.231 17.706 19.000 -0.105 0.000 0.816 309 A HN 0.169 nan 8.150 nan 0.000 0.444 310 Q N -0.509 119.144 119.800 -0.245 0.000 2.096 310 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 310 Q C 2.285 178.194 176.000 -0.151 0.000 0.982 310 Q CA 1.819 57.434 55.803 -0.313 0.000 0.850 310 Q CB -0.250 28.174 28.738 -0.524 0.000 0.901 310 Q HN 0.765 nan 8.270 nan 0.000 0.422 311 Q N 0.207 119.927 119.800 -0.133 0.000 2.084 311 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 311 Q C 2.146 178.079 176.000 -0.112 0.000 0.978 311 Q CA 1.076 56.810 55.803 -0.116 0.000 0.844 311 Q CB -0.064 28.616 28.738 -0.097 0.000 0.898 311 Q HN 0.277 nan 8.270 nan 0.000 0.426 312 R N -0.187 120.259 120.500 -0.090 0.000 2.073 312 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 312 R C 2.373 178.637 176.300 -0.061 0.000 1.134 312 R CA 1.351 57.409 56.100 -0.070 0.000 0.952 312 R CB -0.551 29.716 30.300 -0.055 0.000 0.850 312 R HN 0.145 nan 8.270 nan 0.000 0.433 313 V N 1.270 121.157 119.914 -0.046 0.000 2.427 313 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 313 V C 2.076 178.150 176.094 -0.034 0.000 1.051 313 V CA 1.559 63.855 62.300 -0.008 0.000 1.048 313 V CB -0.210 31.645 31.823 0.054 0.000 0.666 313 V HN 0.288 nan 8.190 nan 0.000 0.456 314 I N -0.341 120.147 120.570 -0.137 0.000 2.151 314 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 314 I C 2.767 178.764 176.117 -0.201 0.000 1.080 314 I CA 2.011 63.110 61.300 -0.334 0.000 1.339 314 I CB -0.423 37.326 38.000 -0.418 0.000 1.039 314 I HN 0.275 nan 8.210 nan 0.000 0.409 315 R N 0.276 120.683 120.500 -0.155 0.000 2.062 315 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 315 R C 2.735 179.006 176.300 -0.048 0.000 1.128 315 R CA 1.556 57.587 56.100 -0.114 0.000 0.960 315 R CB -0.609 29.629 30.300 -0.102 0.000 0.855 315 R HN 0.353 nan 8.270 nan 0.000 0.432 316 R N 1.212 121.695 120.500 -0.028 0.000 2.105 316 R HA -0.051 4.289 4.340 -0.000 0.000 0.239 316 R C 2.251 178.569 176.300 0.030 0.000 1.135 316 R CA 1.747 57.848 56.100 0.001 0.000 0.967 316 R CB -1.423 28.880 30.300 0.004 0.000 0.861 316 R HN 0.427 nan 8.270 nan 0.000 0.442 317 A N 0.966 123.818 122.820 0.054 0.000 1.858 317 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 317 A C 2.520 180.167 177.584 0.105 0.000 1.190 317 A CA 1.524 53.631 52.037 0.116 0.000 0.617 317 A CB -0.412 18.733 19.000 0.243 0.000 0.827 317 A HN 0.466 nan 8.150 nan 0.000 0.443 318 L N -0.782 120.487 121.223 0.077 0.000 2.127 318 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 318 L C 2.620 179.515 176.870 0.042 0.000 1.089 318 L CA 1.572 56.449 54.840 0.063 0.000 0.757 318 L CB -0.464 41.598 42.059 0.005 0.000 0.899 318 L HN 0.495 nan 8.230 nan 0.000 0.434 319 E N -0.025 120.190 120.200 0.025 0.000 2.047 319 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 319 E C 1.790 178.409 176.600 0.032 0.000 0.987 319 E CA 1.006 57.418 56.400 0.021 0.000 0.799 319 E CB 0.047 29.754 29.700 0.011 0.000 0.752 319 E HN 0.515 nan 8.360 nan 0.000 0.449 320 N N 0.332 119.057 118.700 0.042 0.000 2.396 320 N HA -0.069 4.671 4.740 -0.000 0.000 0.180 320 N C 1.475 177.012 175.510 0.044 0.000 1.028 320 N CA 0.815 53.892 53.050 0.045 0.000 0.893 320 N CB 0.008 38.532 38.487 0.062 0.000 0.967 320 N HN 0.093 nan 8.380 nan 0.000 0.440 321 A N 0.501 123.355 122.820 0.056 0.000 1.897 321 A HA 0.257 4.577 4.320 -0.000 0.000 0.215 321 A C 1.502 179.111 177.584 0.043 0.000 1.181 321 A CA 1.438 53.509 52.037 0.056 0.000 0.620 321 A CB -0.652 18.395 19.000 0.080 0.000 0.821 321 A HN 0.318 nan 8.150 nan 0.000 0.443 322 G N -1.704 107.122 108.800 0.043 0.000 2.255 322 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.239 322 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.239 322 G C -0.223 174.704 174.900 0.046 0.000 1.083 322 G CA 0.059 45.182 45.100 0.037 0.000 0.826 322 G HN 1.063 nan 8.290 nan 0.000 0.493 323 V N 0.009 119.956 119.914 0.056 0.000 2.962 323 V HA 0.681 4.801 4.120 -0.000 0.000 0.313 323 V C 0.493 176.627 176.094 0.066 0.000 1.099 323 V CA -1.259 61.084 62.300 0.071 0.000 0.971 323 V CB 2.091 33.973 31.823 0.098 0.000 1.028 323 V HN 0.373 nan 8.190 nan 0.000 0.430 324 R N 1.140 121.683 120.500 0.072 0.000 2.428 324 R HA 0.579 4.919 4.340 -0.000 0.000 0.294 324 R C 1.215 177.571 176.300 0.092 0.000 1.000 324 R CA 0.226 56.362 56.100 0.059 0.000 0.960 324 R CB 1.810 32.140 30.300 0.050 0.000 1.076 324 R HN 0.927 nan 8.270 nan 0.000 0.475 325 A N 2.947 125.797 122.820 0.048 0.000 1.927 325 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 325 A C 1.955 179.668 177.584 0.215 0.000 1.185 325 A CA 2.249 54.337 52.037 0.085 0.000 0.639 325 A CB -1.030 17.914 19.000 -0.093 0.000 0.820 325 A HN 0.914 nan 8.150 nan 0.000 0.451 326 G N -0.728 108.147 108.800 0.125 0.000 2.479 326 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 326 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 326 G C 0.927 175.905 174.900 0.131 0.000 1.115 326 G CA 1.125 46.296 45.100 0.118 0.000 0.757 326 G HN 0.542 nan 8.290 nan 0.000 0.560 327 D N -0.224 120.261 120.400 0.143 0.000 2.347 327 D HA 0.030 4.670 4.640 -0.000 0.000 0.215 327 D C 0.867 177.273 176.300 0.176 0.000 0.976 327 D CA 0.207 54.293 54.000 0.143 0.000 0.884 327 D CB 0.444 41.319 40.800 0.125 0.000 0.915 327 D HN 0.114 nan 8.370 nan 0.000 0.526 328 V N 2.246 122.282 119.914 0.204 0.000 2.432 328 V HA 0.062 4.182 4.120 -0.000 0.000 0.275 328 V C 0.938 177.099 176.094 0.112 0.000 1.043 328 V CA -0.232 62.176 62.300 0.179 0.000 0.925 328 V CB 2.057 33.993 31.823 0.189 0.000 0.985 328 V HN -0.041 nan 8.190 nan 0.000 0.466 329 D N 2.589 123.080 120.400 0.152 0.000 2.324 329 D HA 0.053 4.693 4.640 -0.000 0.000 0.212 329 D C -0.104 176.202 176.300 0.010 0.000 0.984 329 D CA 1.028 55.089 54.000 0.103 0.000 0.885 329 D CB 0.828 41.729 40.800 0.168 0.000 0.996 329 D HN 0.533 nan 8.370 nan 0.000 0.505 330 Y N 0.617 120.793 120.300 -0.207 0.000 2.553 330 Y HA 0.442 4.992 4.550 -0.000 0.000 0.347 330 Y C -1.566 174.225 175.900 -0.183 0.000 1.019 330 Y CA -0.877 57.063 58.100 -0.266 0.000 1.032 330 Y CB 1.886 39.992 38.460 -0.591 0.000 1.284 330 Y HN -0.385 nan 8.280 nan 0.000 0.466 331 V N 4.648 123.945 119.914 -1.028 0.000 2.623 331 V HA 0.282 4.402 4.120 -0.000 0.000 0.304 331 V C -0.941 174.620 176.094 -0.888 0.000 1.054 331 V CA -0.977 60.887 62.300 -0.726 0.000 0.882 331 V CB 1.801 33.344 31.823 -0.466 0.000 1.002 331 V HN 0.679 nan 8.190 nan 0.000 0.424 332 E N 3.518 123.462 120.200 -0.426 0.000 1.941 332 E HA 0.476 4.826 4.350 -0.000 0.000 0.275 332 E C 0.191 176.745 176.600 -0.077 0.000 1.113 332 E CA -0.074 56.237 56.400 -0.149 0.000 0.878 332 E CB 1.310 31.047 29.700 0.062 0.000 1.070 332 E HN 0.804 nan 8.360 nan 0.000 0.399 333 A N 3.375 126.188 122.820 -0.013 0.000 2.332 333 A HA 0.065 4.385 4.320 -0.000 0.000 0.258 333 A C 1.319 178.965 177.584 0.102 0.000 1.087 333 A CA -0.136 51.968 52.037 0.111 0.000 0.802 333 A CB 0.283 19.470 19.000 0.312 0.000 1.042 333 A HN 0.860 nan 8.150 nan 0.000 0.489 334 H N 1.479 120.513 119.070 -0.059 0.000 2.265 334 H HA -0.144 4.412 4.556 -0.000 0.000 0.295 334 H C 1.574 176.855 175.328 -0.078 0.000 1.084 334 H CA 1.473 57.440 56.048 -0.135 0.000 1.261 334 H CB -0.117 29.574 29.762 -0.118 0.000 1.360 334 H HN 1.196 nan 8.280 nan 0.000 0.487 335 G N 0.588 109.400 108.800 0.020 0.000 2.386 335 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.295 335 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.295 335 G C 0.966 175.664 174.900 -0.337 0.000 0.979 335 G CA 0.952 45.904 45.100 -0.246 0.000 1.193 335 G HN 0.696 nan 8.290 nan 0.000 0.508 336 T N -2.869 111.505 114.554 -0.300 0.000 3.067 336 T HA 0.377 4.727 4.350 -0.000 0.000 0.261 336 T C 2.299 176.958 174.700 -0.069 0.000 1.110 336 T CA 1.381 63.340 62.100 -0.235 0.000 1.113 336 T CB 0.206 68.939 68.868 -0.225 0.000 0.917 336 T HN 2.249 nan 8.240 nan 0.000 0.499 337 G N 0.972 109.708 108.800 -0.108 0.000 2.141 337 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.242 337 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.242 337 G C 0.144 175.047 174.900 0.005 0.000 0.982 337 G CA 0.124 45.188 45.100 -0.061 0.000 0.662 337 G HN 0.742 nan 8.290 nan 0.000 0.527 338 T N -0.046 114.539 114.554 0.051 0.000 2.898 338 T HA 0.371 4.720 4.350 -0.000 0.000 0.301 338 T C 1.715 176.446 174.700 0.052 0.000 1.049 338 T CA 0.220 62.367 62.100 0.077 0.000 1.095 338 T CB 1.264 70.217 68.868 0.141 0.000 0.976 338 T HN 0.350 nan 8.240 nan 0.000 0.539 339 R N 0.731 121.255 120.500 0.041 0.000 2.119 339 R HA 0.130 4.470 4.340 -0.000 0.000 0.222 339 R C 2.150 178.477 176.300 0.044 0.000 1.088 339 R CA 0.637 56.758 56.100 0.035 0.000 0.984 339 R CB -0.133 30.180 30.300 0.022 0.000 0.884 339 R HN 0.521 nan 8.270 nan 0.000 0.447 340 L N -0.564 120.692 121.223 0.055 0.000 2.131 340 L HA 0.017 4.357 4.340 -0.000 0.000 0.206 340 L C 2.414 179.326 176.870 0.069 0.000 1.087 340 L CA 1.427 56.302 54.840 0.058 0.000 0.767 340 L CB -0.887 41.210 42.059 0.063 0.000 0.917 340 L HN 0.341 nan 8.230 nan 0.000 0.441 341 G N 0.049 108.906 108.800 0.095 0.000 2.414 341 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.215 341 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.215 341 G C 1.095 176.074 174.900 0.133 0.000 1.188 341 G CA 0.709 45.887 45.100 0.129 0.000 0.783 341 G HN 0.276 nan 8.290 nan 0.000 0.537 342 D N 1.437 121.910 120.400 0.122 0.000 2.092 342 D HA -0.070 4.570 4.640 -0.000 0.000 0.193 342 D C 0.252 176.591 176.300 0.065 0.000 0.994 342 D CA 1.242 55.357 54.000 0.191 0.000 0.828 342 D CB -1.424 39.490 40.800 0.191 0.000 0.963 342 D HN 0.228 nan 8.370 nan 0.000 0.450 343 P HA -0.095 nan 4.420 nan 0.000 0.214 343 P C 1.750 178.902 177.300 -0.246 0.000 1.163 343 P CA 0.899 63.833 63.100 -0.277 0.000 0.889 343 P CB -0.032 31.607 31.700 -0.101 0.000 0.790 344 I N -0.558 119.997 120.570 -0.026 0.000 2.264 344 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 344 I C 2.556 178.666 176.117 -0.012 0.000 1.111 344 I CA 1.582 62.895 61.300 0.022 0.000 1.382 344 I CB -0.572 37.435 38.000 0.013 0.000 1.060 344 I HN 0.049 nan 8.210 nan 0.000 0.418 345 E N 0.843 121.054 120.200 0.019 0.000 2.046 345 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 345 E C 2.309 178.916 176.600 0.012 0.000 0.982 345 E CA 1.284 57.735 56.400 0.085 0.000 0.800 345 E CB 0.183 30.058 29.700 0.290 0.000 0.756 345 E HN 0.257 nan 8.360 nan 0.000 0.449 346 V N 0.720 120.557 119.914 -0.127 0.000 2.358 346 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 346 V C 1.938 177.907 176.094 -0.209 0.000 1.047 346 V CA 2.244 64.377 62.300 -0.279 0.000 1.035 346 V CB -0.791 30.693 31.823 -0.564 0.000 0.658 346 V HN 0.387 nan 8.190 nan 0.000 0.452 347 H N 0.229 119.214 119.070 -0.142 0.000 2.319 347 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 347 H C 2.336 177.615 175.328 -0.082 0.000 1.092 347 H CA 1.390 57.365 56.048 -0.121 0.000 1.302 347 H CB -0.192 29.502 29.762 -0.115 0.000 1.373 347 H HN 0.458 nan 8.280 nan 0.000 0.497 348 A N 0.796 123.643 122.820 0.045 0.000 1.940 348 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 348 A C 2.313 179.903 177.584 0.011 0.000 1.176 348 A CA 1.265 53.302 52.037 -0.000 0.000 0.631 348 A CB -0.653 18.323 19.000 -0.041 0.000 0.814 348 A HN 0.309 nan 8.150 nan 0.000 0.446 349 L N -1.050 120.196 121.223 0.038 0.000 2.109 349 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 349 L C 2.455 179.363 176.870 0.064 0.000 1.086 349 L CA 0.719 55.614 54.840 0.092 0.000 0.760 349 L CB -0.378 41.723 42.059 0.071 0.000 0.910 349 L HN 0.351 nan 8.230 nan 0.000 0.437 350 L N -0.437 120.799 121.223 0.021 0.000 2.191 350 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 350 L C 1.771 178.649 176.870 0.013 0.000 1.103 350 L CA 1.267 56.119 54.840 0.019 0.000 0.769 350 L CB -0.203 41.873 42.059 0.030 0.000 0.908 350 L HN 0.348 nan 8.230 nan 0.000 0.438 351 S N -3.122 112.578 115.700 -0.001 0.000 2.526 351 S HA 0.223 4.693 4.470 -0.000 0.000 0.245 351 S C 0.617 175.187 174.600 -0.051 0.000 1.103 351 S CA -0.003 58.183 58.200 -0.024 0.000 1.095 351 S CB 0.108 63.289 63.200 -0.032 0.000 0.826 351 S HN 0.403 nan 8.310 nan 0.000 0.468 352 T N -2.338 112.183 114.554 -0.056 0.000 3.482 352 T HA 0.231 4.581 4.350 -0.000 0.000 0.195 352 T C 1.014 175.622 174.700 -0.154 0.000 0.940 352 T CA -0.078 61.931 62.100 -0.153 0.000 1.044 352 T CB -0.638 68.075 68.868 -0.259 0.000 1.209 352 T HN 0.123 nan 8.240 nan 0.000 0.318 353 Y N 2.421 122.701 120.300 -0.034 0.000 2.181 353 Y HA 0.195 4.745 4.550 -0.000 0.000 0.288 353 Y C 2.879 178.759 175.900 -0.032 0.000 1.146 353 Y CA 1.547 59.632 58.100 -0.025 0.000 1.164 353 Y CB -0.802 37.644 38.460 -0.024 0.000 0.982 353 Y HN 0.524 nan 8.280 nan 0.000 0.515 354 G N -1.032 107.836 108.800 0.114 0.000 2.511 354 G HA2 -0.068 3.891 3.960 -0.000 0.000 0.217 354 G HA3 -0.068 3.891 3.960 -0.000 0.000 0.217 354 G C 1.866 176.775 174.900 0.015 0.000 1.133 354 G CA 0.674 45.800 45.100 0.043 0.000 0.792 354 G HN 0.455 nan 8.290 nan 0.000 0.539 355 A N 1.033 123.855 122.820 0.004 0.000 1.902 355 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 355 A C 1.732 179.316 177.584 -0.001 0.000 1.181 355 A CA 1.098 53.131 52.037 -0.007 0.000 0.623 355 A CB -0.223 18.763 19.000 -0.023 0.000 0.818 355 A HN 0.396 nan 8.150 nan 0.000 0.443 356 E N 0.238 120.442 120.200 0.006 0.000 2.545 356 E HA 0.110 4.460 4.350 -0.000 0.000 0.271 356 E C -0.532 176.084 176.600 0.026 0.000 1.508 356 E CA -0.111 56.298 56.400 0.014 0.000 1.774 356 E CB 0.091 29.802 29.700 0.017 0.000 1.460 356 E HN 0.238 nan 8.360 nan 0.000 0.449 357 R N 0.290 120.799 120.500 0.015 0.000 2.799 357 R HA 0.305 4.645 4.340 -0.000 0.000 0.270 357 R C -0.467 175.834 176.300 0.002 0.000 1.010 357 R CA -0.820 55.286 56.100 0.010 0.000 0.916 357 R CB 0.751 31.048 30.300 -0.005 0.000 1.228 357 R HN 0.074 nan 8.270 nan 0.000 0.469 358 D N 1.627 122.028 120.400 0.000 0.000 2.362 358 D HA 0.110 4.750 4.640 -0.000 0.000 0.242 358 D C -1.364 174.923 176.300 -0.022 0.000 1.132 358 D CA -1.149 52.849 54.000 -0.004 0.000 0.907 358 D CB 1.052 41.854 40.800 0.004 0.000 1.195 358 D HN 0.064 nan 8.370 nan 0.000 0.429 359 P HA -0.142 nan 4.420 nan 0.000 0.214 359 P C 1.078 178.357 177.300 -0.035 0.000 1.163 359 P CA 0.767 63.847 63.100 -0.032 0.000 0.883 359 P CB 0.235 31.925 31.700 -0.017 0.000 0.788 360 D N -0.316 120.077 120.400 -0.012 0.000 2.315 360 D HA -0.216 4.424 4.640 -0.000 0.000 0.198 360 D C 0.039 176.346 176.300 0.011 0.000 1.010 360 D CA 1.491 55.494 54.000 0.004 0.000 0.911 360 D CB -0.144 40.664 40.800 0.014 0.000 0.897 360 D HN 0.230 nan 8.370 nan 0.000 0.455 361 D N -0.983 119.413 120.400 -0.007 0.000 2.323 361 D HA 0.229 4.869 4.640 -0.000 0.000 0.242 361 D C -2.728 173.526 176.300 -0.075 0.000 1.347 361 D CA -1.525 52.475 54.000 0.000 0.000 0.988 361 D CB 1.856 42.681 40.800 0.042 0.000 1.314 361 D HN -0.101 nan 8.370 nan 0.000 0.564 362 P HA 0.259 nan 4.420 nan 0.000 0.281 362 P C -0.481 176.573 177.300 -0.410 0.000 1.281 362 P CA -0.985 61.908 63.100 -0.345 0.000 0.811 362 P CB 1.016 32.382 31.700 -0.556 0.000 1.154 363 L N 0.821 121.836 121.223 -0.346 0.000 2.371 363 L HA 0.264 4.604 4.340 -0.000 0.000 0.272 363 L C -0.882 175.718 176.870 -0.450 0.000 1.124 363 L CA -0.240 54.427 54.840 -0.288 0.000 0.816 363 L CB -0.231 41.719 42.059 -0.181 0.000 1.129 363 L HN 0.431 nan 8.230 nan 0.000 0.448 364 W N 5.716 126.918 121.300 -0.163 0.000 2.478 364 W HA 0.580 5.240 4.660 -0.000 0.000 0.318 364 W C -0.166 176.214 176.519 -0.233 0.000 1.062 364 W CA -0.380 56.885 57.345 -0.134 0.000 1.210 364 W CB 1.570 30.982 29.460 -0.080 0.000 1.325 364 W HN 0.282 nan 8.180 nan 0.000 0.496 365 I N 2.782 123.417 120.570 0.107 0.000 2.608 365 I HA 0.818 4.988 4.170 -0.000 0.000 0.295 365 I C 0.390 176.568 176.117 0.101 0.000 1.049 365 I CA -0.607 60.629 61.300 -0.107 0.000 1.063 365 I CB 2.028 39.928 38.000 -0.165 0.000 1.248 365 I HN 0.559 nan 8.210 nan 0.000 0.424 366 G N 2.453 111.307 108.800 0.090 0.000 2.600 366 G HA2 0.581 4.541 3.960 -0.000 0.000 0.293 366 G HA3 0.581 4.541 3.960 -0.000 0.000 0.293 366 G C -1.920 173.113 174.900 0.222 0.000 1.408 366 G CA -0.424 44.832 45.100 0.260 0.000 0.782 366 G HN 0.484 nan 8.290 nan 0.000 0.482 367 S N -1.169 114.624 115.700 0.155 0.000 2.603 367 S HA 0.377 4.847 4.470 -0.000 0.000 0.274 367 S C 1.069 175.695 174.600 0.042 0.000 1.168 367 S CA 0.076 58.319 58.200 0.071 0.000 0.963 367 S CB 1.405 64.594 63.200 -0.019 0.000 1.078 367 S HN 1.553 nan 8.310 nan 0.000 0.477 368 V N 4.235 124.175 119.914 0.043 0.000 2.720 368 V HA -0.074 4.046 4.120 -0.000 0.000 0.256 368 V C 2.148 178.265 176.094 0.037 0.000 1.082 368 V CA 1.422 63.750 62.300 0.046 0.000 1.101 368 V CB -1.012 30.860 31.823 0.083 0.000 0.693 368 V HN 0.848 nan 8.190 nan 0.000 0.479 369 K N 1.933 122.326 120.400 -0.011 0.000 2.280 369 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 369 K C 2.393 179.016 176.600 0.038 0.000 1.047 369 K CA 1.528 57.804 56.287 -0.018 0.000 0.942 369 K CB -0.337 32.090 32.500 -0.121 0.000 0.739 369 K HN 0.735 nan 8.250 nan 0.000 0.457 370 S N 0.647 116.373 115.700 0.043 0.000 2.474 370 S HA -0.111 4.359 4.470 -0.000 0.000 0.235 370 S C 1.316 175.974 174.600 0.097 0.000 0.997 370 S CA 1.286 59.547 58.200 0.101 0.000 0.949 370 S CB -0.185 63.050 63.200 0.057 0.000 0.766 370 S HN 0.351 nan 8.310 nan 0.000 0.517 371 N N 1.202 119.954 118.700 0.087 0.000 2.499 371 N HA 0.328 5.068 4.740 -0.000 0.000 0.182 371 N C 1.640 177.312 175.510 0.269 0.000 1.034 371 N CA 0.988 54.113 53.050 0.125 0.000 0.882 371 N CB 0.043 38.604 38.487 0.124 0.000 1.125 371 N HN 0.666 nan 8.380 nan 0.000 0.436 372 I N -4.138 116.563 120.570 0.218 0.000 4.403 372 I HA 0.546 4.715 4.170 -0.000 0.000 0.331 372 I C 0.638 176.841 176.117 0.142 0.000 1.327 372 I CA -0.310 61.108 61.300 0.197 0.000 1.175 372 I CB 0.570 38.644 38.000 0.124 0.000 1.165 372 I HN 0.037 nan 8.210 nan 0.000 0.413 373 G N 1.925 110.796 108.800 0.118 0.000 2.710 373 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.668 373 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.668 373 G C -0.896 174.063 174.900 0.098 0.000 1.320 373 G CA -0.331 44.837 45.100 0.112 0.000 0.860 373 G HN 0.563 nan 8.290 nan 0.000 0.538 374 H N 0.490 119.544 119.070 -0.027 0.000 3.160 374 H HA 0.465 5.021 4.556 -0.000 0.000 0.257 374 H C 1.551 176.845 175.328 -0.056 0.000 1.140 374 H CA 1.128 57.108 56.048 -0.114 0.000 1.492 374 H CB 0.695 30.281 29.762 -0.293 0.000 1.529 374 H HN 0.578 nan 8.280 nan 0.000 0.490 375 T N 3.809 118.519 114.554 0.260 0.000 3.107 375 T HA 0.087 4.437 4.350 -0.000 0.000 0.249 375 T C 0.615 175.438 174.700 0.205 0.000 1.096 375 T CA 0.668 62.892 62.100 0.206 0.000 1.012 375 T CB 0.020 69.015 68.868 0.212 0.000 0.977 375 T HN 0.867 nan 8.240 nan 0.000 0.527 376 Q N -0.390 119.589 119.800 0.299 0.000 1.351 376 Q HA -0.306 4.034 4.340 -0.000 0.000 0.305 376 Q C 1.602 177.703 176.000 0.168 0.000 0.944 376 Q CA 0.971 56.852 55.803 0.130 0.000 0.833 376 Q CB -1.867 26.829 28.738 -0.069 0.000 3.590 376 Q HN 0.365 nan 8.270 nan 0.000 0.523 377 A N 0.256 123.139 122.820 0.106 0.000 2.009 377 A HA -0.146 4.174 4.320 -0.000 0.000 0.222 377 A C 2.061 179.720 177.584 0.125 0.000 1.175 377 A CA 3.257 55.357 52.037 0.105 0.000 0.651 377 A CB -0.902 18.144 19.000 0.076 0.000 0.815 377 A HN 0.817 nan 8.150 nan 0.000 0.459 378 A N -0.641 122.269 122.820 0.150 0.000 2.021 378 A HA 0.541 4.861 4.320 -0.000 0.000 0.216 378 A C 1.513 179.228 177.584 0.217 0.000 1.163 378 A CA 0.840 52.994 52.037 0.194 0.000 0.676 378 A CB -0.914 18.232 19.000 0.243 0.000 0.818 378 A HN 1.272 nan 8.150 nan 0.000 0.453 379 A N -1.359 121.573 122.820 0.186 0.000 2.555 379 A HA 0.409 4.729 4.320 -0.000 0.000 0.233 379 A C 1.730 179.375 177.584 0.101 0.000 1.060 379 A CA 0.923 53.028 52.037 0.114 0.000 0.759 379 A CB -0.582 18.459 19.000 0.069 0.000 0.995 379 A HN 2.057 nan 8.150 nan 0.000 0.506 380 G N 0.393 109.236 108.800 0.071 0.000 2.729 380 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 380 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 380 G C 1.095 176.053 174.900 0.095 0.000 1.252 380 G CA 0.736 45.870 45.100 0.056 0.000 0.751 380 G HN 1.367 nan 8.290 nan 0.000 0.527 381 V N 2.035 122.033 119.914 0.140 0.000 2.358 381 V HA 0.128 4.248 4.120 -0.000 0.000 0.246 381 V C 3.321 179.569 176.094 0.256 0.000 1.047 381 V CA 2.917 65.331 62.300 0.190 0.000 1.035 381 V CB -1.126 30.821 31.823 0.207 0.000 0.658 381 V HN 1.097 nan 8.190 nan 0.000 0.452 382 A N 0.862 123.825 122.820 0.238 0.000 1.892 382 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 382 A C 2.434 180.149 177.584 0.217 0.000 1.188 382 A CA 2.232 54.334 52.037 0.108 0.000 0.631 382 A CB -1.345 17.524 19.000 -0.220 0.000 0.822 382 A HN 0.527 nan 8.150 nan 0.000 0.447 383 G N -0.623 108.259 108.800 0.136 0.000 2.421 383 G HA2 0.060 4.020 3.960 -0.000 0.000 0.216 383 G HA3 0.060 4.020 3.960 -0.000 0.000 0.216 383 G C 0.993 175.979 174.900 0.144 0.000 1.171 383 G CA 0.984 46.155 45.100 0.119 0.000 0.775 383 G HN 0.368 nan 8.290 nan 0.000 0.543 387 A N 1.430 124.346 122.820 0.159 0.000 1.873 387 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 387 A C 1.991 179.633 177.584 0.097 0.000 1.186 387 A CA 1.851 54.003 52.037 0.193 0.000 0.616 387 A CB -0.605 18.534 19.000 0.232 0.000 0.823 387 A HN 0.114 nan 8.150 nan 0.000 0.442 388 V N 0.161 120.114 119.914 0.065 0.000 2.261 388 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 388 V C 2.604 178.638 176.094 -0.100 0.000 1.047 388 V CA 2.098 64.395 62.300 -0.005 0.000 1.015 388 V CB -0.889 30.952 31.823 0.030 0.000 0.642 388 V HN 0.569 nan 8.190 nan 0.000 0.446 389 L N 0.183 121.357 121.223 -0.083 0.000 2.012 389 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 389 L C 2.747 179.332 176.870 -0.475 0.000 1.073 389 L CA 1.852 56.548 54.840 -0.241 0.000 0.748 389 L CB -0.903 41.089 42.059 -0.112 0.000 0.891 389 L HN 0.364 nan 8.230 nan 0.000 0.431 390 A N -0.059 122.590 122.820 -0.286 0.000 1.908 390 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 390 A C 2.278 179.739 177.584 -0.204 0.000 1.181 390 A CA 1.671 53.613 52.037 -0.158 0.000 0.627 390 A CB -0.791 18.306 19.000 0.162 0.000 0.818 390 A HN 0.375 nan 8.150 nan 0.000 0.445 391 L N -1.266 119.798 121.223 -0.266 0.000 2.046 391 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 391 L C 2.875 179.470 176.870 -0.458 0.000 1.077 391 L CA 1.588 56.126 54.840 -0.502 0.000 0.747 391 L CB -0.416 41.409 42.059 -0.390 0.000 0.896 391 L HN 0.347 nan 8.230 nan 0.000 0.432 392 R N -1.057 119.175 120.500 -0.446 0.000 2.115 392 R HA -0.132 4.208 4.340 -0.000 0.000 0.230 392 R C 1.829 177.738 176.300 -0.651 0.000 1.111 392 R CA 1.270 57.039 56.100 -0.551 0.000 0.976 392 R CB -0.256 29.659 30.300 -0.642 0.000 0.870 392 R HN 0.483 nan 8.270 nan 0.000 0.445 393 H N -1.633 117.151 119.070 -0.477 0.000 2.575 393 H HA 0.228 4.784 4.556 -0.000 0.000 0.267 393 H C 0.862 176.072 175.328 -0.196 0.000 0.966 393 H CA 0.448 56.269 56.048 -0.378 0.000 1.165 393 H CB 1.021 30.405 29.762 -0.630 0.000 1.433 393 H HN 0.378 nan 8.280 nan 0.000 0.544 394 G N 0.633 109.347 108.800 -0.144 0.000 2.225 394 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.264 394 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.264 394 G C 0.012 174.968 174.900 0.093 0.000 1.060 394 G CA 0.693 45.736 45.100 -0.094 0.000 0.833 394 G HN 0.528 nan 8.290 nan 0.000 0.498 398 R N -0.582 119.804 120.500 -0.190 0.000 2.893 398 R HA 0.651 4.991 4.340 -0.000 0.000 0.279 398 R C -0.266 175.966 176.300 -0.113 0.000 1.076 398 R CA 0.099 56.105 56.100 -0.157 0.000 1.203 398 R CB -0.034 30.165 30.300 -0.169 0.000 1.137 398 R HN 0.384 nan 8.270 nan 0.000 0.541 399 T N 1.583 116.083 114.554 -0.089 0.000 2.890 399 T HA 0.319 4.669 4.350 -0.000 0.000 0.295 399 T C -0.050 174.626 174.700 -0.040 0.000 0.993 399 T CA -0.655 61.422 62.100 -0.038 0.000 0.979 399 T CB 0.743 69.628 68.868 0.028 0.000 0.967 399 T HN 0.241 nan 8.240 nan 0.000 0.441 400 L N 3.350 124.515 121.223 -0.097 0.000 2.476 400 L HA 0.280 4.620 4.340 -0.000 0.000 0.264 400 L C 0.739 177.550 176.870 -0.098 0.000 1.224 400 L CA -0.489 54.197 54.840 -0.256 0.000 0.821 400 L CB -0.004 41.712 42.059 -0.572 0.000 1.101 400 L HN 0.848 nan 8.230 nan 0.000 0.488 401 H N -0.086 119.033 119.070 0.081 0.000 2.819 401 H HA -0.204 4.352 4.556 -0.000 0.000 0.315 401 H C -0.592 174.830 175.328 0.157 0.000 1.242 401 H CA 0.324 56.423 56.048 0.086 0.000 1.157 401 H CB -1.941 27.852 29.762 0.052 0.000 1.451 401 H HN 0.365 nan 8.280 nan 0.000 0.430 402 F N 1.652 121.649 119.950 0.080 0.000 2.359 402 F HA 0.313 4.840 4.527 -0.000 0.000 0.355 402 F C 1.115 176.950 175.800 0.059 0.000 1.132 402 F CA 0.198 58.245 58.000 0.078 0.000 1.246 402 F CB -0.336 38.701 39.000 0.061 0.000 1.569 402 F HN 0.431 nan 8.300 nan 0.000 0.561 403 D N 2.277 122.606 120.400 -0.118 0.000 2.174 403 D HA 0.074 4.714 4.640 -0.000 0.000 0.215 403 D C 0.839 177.025 176.300 -0.190 0.000 1.021 403 D CA 1.847 55.783 54.000 -0.105 0.000 0.910 403 D CB -0.546 40.203 40.800 -0.085 0.000 1.142 403 D HN 0.571 nan 8.370 nan 0.000 0.473 404 E N -0.074 119.961 120.200 -0.276 0.000 2.277 404 E HA 0.617 4.967 4.350 -0.000 0.000 0.266 404 E C -2.937 173.356 176.600 -0.513 0.000 0.901 404 E CA -1.647 54.580 56.400 -0.287 0.000 0.782 404 E CB 1.306 30.933 29.700 -0.122 0.000 1.228 404 E HN 0.362 nan 8.360 nan 0.000 0.424 405 P HA 0.070 nan 4.420 nan 0.000 0.266 405 P C 0.027 177.404 177.300 0.128 0.000 1.193 405 P CA 0.020 62.952 63.100 -0.280 0.000 0.770 405 P CB 0.837 32.355 31.700 -0.303 0.000 0.836 406 S N 4.068 119.996 115.700 0.381 0.000 2.515 406 S HA 0.073 4.543 4.470 -0.000 0.000 0.285 406 S C -1.134 173.648 174.600 0.302 0.000 1.265 406 S CA -0.979 57.381 58.200 0.266 0.000 1.079 406 S CB -0.370 62.963 63.200 0.221 0.000 0.877 406 S HN 0.304 nan 8.310 nan 0.000 0.493 407 P HA -0.057 nan 4.420 nan 0.000 0.230 407 P C 0.663 178.018 177.300 0.092 0.000 1.158 407 P CA 0.799 63.989 63.100 0.151 0.000 0.769 407 P CB 0.175 31.928 31.700 0.089 0.000 0.807 408 Q N -0.501 119.329 119.800 0.050 0.000 2.331 408 Q HA 0.139 4.479 4.340 -0.000 0.000 0.203 408 Q C 1.061 177.032 176.000 -0.048 0.000 0.944 408 Q CA 0.408 56.220 55.803 0.014 0.000 0.892 408 Q CB -0.393 28.354 28.738 0.015 0.000 0.983 408 Q HN 0.325 nan 8.270 nan 0.000 0.482 409 I N 1.496 121.931 120.570 -0.225 0.000 2.519 409 I HA 0.039 4.209 4.170 -0.000 0.000 0.287 409 I C 0.331 176.192 176.117 -0.428 0.000 1.047 409 I CA -0.170 60.781 61.300 -0.582 0.000 1.381 409 I CB 1.025 38.256 38.000 -1.281 0.000 1.417 409 I HN 0.007 nan 8.210 nan 0.000 0.540 410 E N 5.781 125.946 120.200 -0.058 0.000 2.360 410 E HA 0.099 4.449 4.350 -0.000 0.000 0.253 410 E C -1.205 175.399 176.600 0.006 0.000 1.189 410 E CA -0.294 56.126 56.400 0.033 0.000 1.252 410 E CB 0.073 29.815 29.700 0.069 0.000 1.408 410 E HN 0.379 nan 8.360 nan 0.000 0.464 411 W N 1.233 122.573 121.300 0.067 0.000 2.274 411 W HA -0.068 4.592 4.660 0.000 0.000 0.345 411 W C 0.804 177.328 176.519 0.007 0.000 1.265 411 W CA 0.008 57.364 57.345 0.018 0.000 1.293 411 W CB 0.189 29.653 29.460 0.007 0.000 1.175 411 W HN 0.329 nan 8.180 nan 0.000 0.577 412 D N -0.117 120.416 120.400 0.222 0.000 2.802 412 D HA -0.110 4.530 4.640 -0.000 0.000 0.229 412 D C -0.151 176.193 176.300 0.074 0.000 1.203 412 D CA 1.539 55.602 54.000 0.106 0.000 0.712 412 D CB -1.676 39.173 40.800 0.082 0.000 0.973 412 D HN 0.379 nan 8.370 nan 0.000 0.407 416 V N -0.289 119.516 119.914 -0.180 0.000 3.457 416 V HA -0.015 4.105 4.120 -0.000 0.000 0.472 416 V C -0.057 175.920 176.094 -0.195 0.000 0.682 416 V CA 0.803 62.995 62.300 -0.182 0.000 1.992 416 V CB -1.861 29.931 31.823 -0.051 0.000 2.437 416 V HN 1.479 nan 8.190 nan 0.000 0.499 417 S N 3.162 118.595 115.700 -0.445 0.000 2.599 417 S HA 0.825 5.295 4.470 -0.000 0.000 0.287 417 S C -0.282 174.165 174.600 -0.255 0.000 1.105 417 S CA -0.700 57.233 58.200 -0.446 0.000 0.899 417 S CB 2.529 65.286 63.200 -0.738 0.000 1.100 417 S HN 0.753 nan 8.310 nan 0.000 0.482 418 V N 2.310 122.114 119.914 -0.183 0.000 2.370 418 V HA 0.327 4.447 4.120 -0.000 0.000 0.279 418 V C 0.225 176.290 176.094 -0.048 0.000 1.029 418 V CA -0.709 61.517 62.300 -0.124 0.000 0.870 418 V CB 1.485 33.097 31.823 -0.350 0.000 0.984 418 V HN 0.684 nan 8.190 nan 0.000 0.451 419 V N 6.320 126.317 119.914 0.138 0.000 2.377 419 V HA 0.100 4.220 4.120 -0.000 0.000 0.254 419 V C 1.390 177.380 176.094 -0.173 0.000 1.060 419 V CA 1.063 63.353 62.300 -0.017 0.000 1.068 419 V CB 0.575 32.332 31.823 -0.110 0.000 1.113 419 V HN 1.117 nan 8.190 nan 0.000 0.484 420 S N 3.615 119.175 115.700 -0.233 0.000 2.412 420 S HA 0.169 4.639 4.470 -0.000 0.000 0.223 420 S C 1.134 175.656 174.600 -0.131 0.000 1.048 420 S CA 0.785 58.858 58.200 -0.211 0.000 0.954 420 S CB -0.344 62.746 63.200 -0.183 0.000 0.840 420 S HN 1.322 nan 8.310 nan 0.000 0.503 421 Q N 1.265 120.989 119.800 -0.126 0.000 2.261 421 Q HA 0.778 5.118 4.340 -0.000 0.000 0.252 421 Q C 0.082 175.977 176.000 -0.174 0.000 0.915 421 Q CA -0.409 55.319 55.803 -0.125 0.000 0.915 421 Q CB 0.098 28.777 28.738 -0.097 0.000 1.204 421 Q HN 0.999 nan 8.270 nan 0.000 0.421 422 A N 3.309 126.033 122.820 -0.161 0.000 2.545 422 A HA 0.411 4.731 4.320 -0.000 0.000 0.253 422 A C 0.106 177.574 177.584 -0.194 0.000 1.074 422 A CA 0.019 51.950 52.037 -0.176 0.000 0.760 422 A CB 0.114 19.023 19.000 -0.151 0.000 1.005 422 A HN 0.703 nan 8.150 nan 0.000 0.506 423 R N 1.885 122.232 120.500 -0.255 0.000 2.589 423 R HA 0.463 4.803 4.340 -0.000 0.000 0.293 423 R C 0.201 176.380 176.300 -0.202 0.000 0.963 423 R CA -0.213 55.698 56.100 -0.315 0.000 0.905 423 R CB 1.967 31.903 30.300 -0.607 0.000 1.144 423 R HN 0.906 nan 8.270 nan 0.000 0.459 424 S N 1.244 116.867 115.700 -0.129 0.000 2.646 424 S HA 0.421 4.891 4.470 -0.000 0.000 0.276 424 S C -0.737 173.903 174.600 0.065 0.000 1.222 424 S CA -0.548 57.646 58.200 -0.011 0.000 1.014 424 S CB 1.188 64.390 63.200 0.004 0.000 0.991 424 S HN 0.701 nan 8.310 nan 0.000 0.533 425 W N 4.127 125.367 121.300 -0.101 0.000 2.073 425 W HA 0.435 5.095 4.660 -0.000 0.000 0.295 425 W C -3.079 173.405 176.519 -0.059 0.000 1.005 425 W CA -2.429 54.862 57.345 -0.090 0.000 1.451 425 W CB 0.699 30.088 29.460 -0.118 0.000 1.515 425 W HN 0.594 nan 8.180 nan 0.000 0.341 426 P HA 0.411 nan 4.420 nan 0.000 0.282 426 P C -0.203 177.046 177.300 -0.085 0.000 1.249 426 P CA -0.209 62.878 63.100 -0.022 0.000 0.806 426 P CB 1.305 33.011 31.700 0.011 0.000 0.984 427 A N 2.335 125.069 122.820 -0.144 0.000 2.522 427 A HA 0.503 4.823 4.320 -0.000 0.000 0.256 427 A C 0.883 178.431 177.584 -0.060 0.000 1.086 427 A CA 0.638 52.593 52.037 -0.138 0.000 0.763 427 A CB -0.884 18.028 19.000 -0.146 0.000 1.024 427 A HN 0.688 nan 8.150 nan 0.000 0.502 428 G N 0.435 109.217 108.800 -0.029 0.000 3.119 428 G HA2 0.552 4.512 3.960 -0.000 0.000 0.206 428 G HA3 0.552 4.512 3.960 -0.000 0.000 0.206 428 G C 0.833 175.734 174.900 0.001 0.000 1.313 428 G CA 0.619 45.721 45.100 0.002 0.000 1.010 428 G HN 0.863 nan 8.290 nan 0.000 0.578 429 E N -0.343 119.867 120.200 0.016 0.000 2.033 429 E HA -0.107 4.243 4.350 -0.000 0.000 0.199 429 E C 1.658 178.269 176.600 0.017 0.000 1.011 429 E CA 1.528 57.937 56.400 0.015 0.000 0.815 429 E CB -0.349 29.364 29.700 0.022 0.000 0.755 429 E HN 0.480 nan 8.360 nan 0.000 0.451 430 R N 0.679 121.199 120.500 0.032 0.000 2.539 430 R HA 0.328 4.668 4.340 -0.000 0.000 0.275 430 R C -2.476 173.840 176.300 0.026 0.000 1.077 430 R CA -1.965 54.158 56.100 0.038 0.000 1.097 430 R CB 0.891 31.229 30.300 0.063 0.000 1.018 430 R HN 0.193 nan 8.270 nan 0.000 0.483 431 P HA 0.088 nan 4.420 nan 0.000 0.268 431 P C -0.906 176.412 177.300 0.030 0.000 1.205 431 P CA 0.117 63.219 63.100 0.002 0.000 0.771 431 P CB 0.578 32.282 31.700 0.007 0.000 0.858 432 R N 3.148 123.635 120.500 -0.021 0.000 2.441 432 R HA 0.474 4.814 4.340 -0.000 0.000 0.284 432 R C 0.719 177.077 176.300 0.097 0.000 1.070 432 R CA -0.423 55.707 56.100 0.051 0.000 1.047 432 R CB 0.750 30.901 30.300 -0.249 0.000 1.016 432 R HN 0.540 nan 8.270 nan 0.000 0.477 433 R N 0.788 121.445 120.500 0.261 0.000 2.836 433 R HA 0.826 5.166 4.340 -0.000 0.000 0.269 433 R C -1.492 175.027 176.300 0.365 0.000 1.010 433 R CA -1.202 55.045 56.100 0.246 0.000 0.930 433 R CB 1.882 32.282 30.300 0.167 0.000 1.218 433 R HN 0.582 nan 8.270 nan 0.000 0.473 434 A N 0.286 123.280 122.820 0.289 0.000 2.515 434 A HA 0.763 5.083 4.320 -0.000 0.000 0.298 434 A C -0.620 177.037 177.584 0.120 0.000 1.059 434 A CA -0.449 51.745 52.037 0.262 0.000 0.698 434 A CB 2.070 21.332 19.000 0.436 0.000 1.289 434 A HN 0.831 nan 8.150 nan 0.000 0.404 435 G N -0.470 108.338 108.800 0.014 0.000 2.437 435 G HA2 0.594 4.553 3.960 -0.000 0.000 0.319 435 G HA3 0.594 4.553 3.960 -0.000 0.000 0.319 435 G C -1.076 173.700 174.900 -0.206 0.000 1.158 435 G CA -0.520 44.529 45.100 -0.086 0.000 0.899 435 G HN 1.137 nan 8.290 nan 0.000 0.502 436 V N 0.494 120.154 119.914 -0.424 0.000 2.686 436 V HA 0.629 4.749 4.120 -0.000 0.000 0.306 436 V C -0.320 175.540 176.094 -0.390 0.000 1.065 436 V CA -0.856 61.282 62.300 -0.269 0.000 0.894 436 V CB 1.851 33.599 31.823 -0.126 0.000 1.004 436 V HN 1.066 nan 8.190 nan 0.000 0.424 437 S N 2.117 117.677 115.700 -0.234 0.000 2.521 437 S HA 0.813 5.283 4.470 -0.000 0.000 0.295 437 S C -0.611 173.649 174.600 -0.567 0.000 1.098 437 S CA -0.755 57.248 58.200 -0.329 0.000 0.999 437 S CB 1.918 65.016 63.200 -0.170 0.000 1.034 437 S HN 0.732 nan 8.310 nan 0.000 0.483 438 S N 1.825 117.136 115.700 -0.648 0.000 2.647 438 S HA 0.745 5.215 4.470 -0.000 0.000 0.300 438 S C -1.819 172.342 174.600 -0.731 0.000 1.129 438 S CA -0.640 57.207 58.200 -0.588 0.000 1.029 438 S CB 0.034 63.125 63.200 -0.182 0.000 1.007 438 S HN 0.516 nan 8.310 nan 0.000 0.484 439 F N 2.904 122.344 119.950 -0.850 0.000 2.403 439 F HA 0.548 5.075 4.527 -0.000 0.000 0.355 439 F C 0.961 176.570 175.800 -0.318 0.000 1.119 439 F CA -1.102 56.586 58.000 -0.519 0.000 1.007 439 F CB 1.362 40.096 39.000 -0.442 0.000 1.194 439 F HN 0.634 nan 8.300 nan 0.000 0.443 440 G N 2.427 111.271 108.800 0.073 0.000 2.444 440 G HA2 0.329 4.289 3.960 -0.000 0.000 0.268 440 G HA3 0.329 4.289 3.960 -0.000 0.000 0.268 440 G C 0.889 175.861 174.900 0.120 0.000 1.203 440 G CA -0.427 44.734 45.100 0.102 0.000 0.835 440 G HN 0.840 nan 8.290 nan 0.000 0.543 441 I N 1.347 121.996 120.570 0.133 0.000 2.614 441 I HA -0.151 4.019 4.170 -0.000 0.000 0.258 441 I C 2.630 178.806 176.117 0.097 0.000 1.189 441 I CA 1.444 62.823 61.300 0.131 0.000 1.462 441 I CB 0.247 38.339 38.000 0.152 0.000 1.092 441 I HN 0.535 nan 8.210 nan 0.000 0.442 442 S N -0.317 115.430 115.700 0.079 0.000 2.607 442 S HA 0.165 4.635 4.470 -0.000 0.000 0.224 442 S C 1.568 176.197 174.600 0.048 0.000 0.969 442 S CA 0.397 58.632 58.200 0.058 0.000 0.927 442 S CB 0.114 63.343 63.200 0.049 0.000 0.772 442 S HN 0.651 nan 8.310 nan 0.000 0.533 443 G N 0.031 108.863 108.800 0.053 0.000 2.176 443 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.232 443 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.232 443 G C 0.106 175.026 174.900 0.034 0.000 0.986 443 G CA 0.088 45.209 45.100 0.035 0.000 0.643 443 G HN 0.614 nan 8.290 nan 0.000 0.522 444 T N 1.635 116.217 114.554 0.047 0.000 2.728 444 T HA 0.511 4.861 4.350 -0.000 0.000 0.296 444 T C 0.236 174.979 174.700 0.071 0.000 0.940 444 T CA -0.123 62.004 62.100 0.045 0.000 1.013 444 T CB 0.765 69.656 68.868 0.040 0.000 0.912 444 T HN 0.457 nan 8.240 nan 0.000 0.484 445 N N 1.223 119.975 118.700 0.087 0.000 2.466 445 N HA 0.747 5.487 4.740 -0.000 0.000 0.294 445 N C -0.804 174.783 175.510 0.130 0.000 1.129 445 N CA -0.873 52.296 53.050 0.198 0.000 0.931 445 N CB 1.428 40.046 38.487 0.219 0.000 1.193 445 N HN 0.692 nan 8.380 nan 0.000 0.500 446 A N 0.843 123.746 122.820 0.138 0.000 2.549 446 A HA 0.620 4.940 4.320 -0.000 0.000 0.297 446 A C -1.815 175.829 177.584 0.101 0.000 1.061 446 A CA -0.388 51.685 52.037 0.059 0.000 0.690 446 A CB 1.217 20.209 19.000 -0.012 0.000 1.287 446 A HN 0.863 nan 8.150 nan 0.000 0.402 447 H N -0.521 118.551 119.070 0.004 0.000 2.954 447 H HA 0.678 5.234 4.556 -0.000 0.000 0.361 447 H C -1.782 173.570 175.328 0.041 0.000 1.122 447 H CA -0.327 55.737 56.048 0.027 0.000 1.217 447 H CB 1.915 31.737 29.762 0.099 0.000 1.776 447 H HN 1.005 nan 8.280 nan 0.000 0.533 448 V N 5.996 125.772 119.914 -0.229 0.000 3.007 448 V HA 0.573 4.693 4.120 -0.000 0.000 0.311 448 V C -1.274 174.762 176.094 -0.097 0.000 1.120 448 V CA -0.656 61.602 62.300 -0.070 0.000 0.980 448 V CB 1.962 33.766 31.823 -0.031 0.000 1.033 448 V HN 0.779 nan 8.190 nan 0.000 0.429 449 I N 5.286 125.871 120.570 0.025 0.000 2.418 449 I HA 0.572 4.742 4.170 -0.000 0.000 0.287 449 I C -0.628 175.528 176.117 0.064 0.000 1.008 449 I CA -0.614 60.725 61.300 0.066 0.000 1.104 449 I CB 1.997 40.076 38.000 0.132 0.000 1.264 449 I HN 0.422 nan 8.210 nan 0.000 0.438 450 V N 5.328 125.287 119.914 0.075 0.000 2.667 450 V HA 0.550 4.670 4.120 -0.000 0.000 0.308 450 V C -0.306 175.835 176.094 0.078 0.000 1.048 450 V CA -0.684 61.658 62.300 0.070 0.000 0.928 450 V CB 1.879 33.749 31.823 0.079 0.000 1.004 450 V HN 0.733 nan 8.190 nan 0.000 0.444 451 E N 1.471 121.696 120.200 0.041 0.000 2.343 451 E HA 0.447 4.796 4.350 -0.000 0.000 0.270 451 E C -0.609 175.971 176.600 -0.034 0.000 0.895 451 E CA -0.780 55.632 56.400 0.020 0.000 0.767 451 E CB 2.066 31.780 29.700 0.024 0.000 1.248 451 E HN 0.908 nan 8.360 nan 0.000 0.440 452 E N 1.689 121.840 120.200 -0.082 0.000 2.404 452 E HA 0.346 4.696 4.350 -0.000 0.000 0.261 452 E C -0.522 176.024 176.600 -0.090 0.000 1.074 452 E CA -0.558 55.761 56.400 -0.134 0.000 0.917 452 E CB 0.792 30.370 29.700 -0.204 0.000 0.965 452 E HN 0.454 nan 8.360 nan 0.000 0.433 453 A N 3.506 126.267 122.820 -0.098 0.000 2.462 453 A HA 0.277 4.597 4.320 -0.000 0.000 0.243 453 A C -1.649 175.899 177.584 -0.061 0.000 1.076 453 A CA -1.022 50.974 52.037 -0.069 0.000 0.773 453 A CB -0.378 18.578 19.000 -0.075 0.000 1.010 453 A HN 0.715 nan 8.150 nan 0.000 0.493 454 P HA 0.184 nan 4.420 nan 0.000 0.297 454 P C -0.373 176.907 177.300 -0.034 0.000 1.303 454 P CA -0.537 62.545 63.100 -0.030 0.000 0.753 454 P CB 0.389 32.081 31.700 -0.013 0.000 1.281 455 E N -0.783 119.402 120.200 -0.026 0.000 2.360 455 E HA 0.370 4.720 4.350 -0.000 0.000 0.269 455 E C -0.476 176.109 176.600 -0.025 0.000 1.022 455 E CA 0.048 56.431 56.400 -0.027 0.000 0.887 455 E CB 0.540 30.227 29.700 -0.021 0.000 0.990 455 E HN 0.447 nan 8.360 nan 0.000 0.426 456 A N 4.148 126.950 122.820 -0.029 0.000 2.466 456 A HA 0.517 4.837 4.320 -0.000 0.000 0.291 456 A C -0.705 176.864 177.584 -0.025 0.000 1.234 456 A CA -0.535 51.486 52.037 -0.026 0.000 0.752 456 A CB 0.833 19.815 19.000 -0.031 0.000 1.153 456 A HN 0.517 nan 8.150 nan 0.000 0.458 467 P HA 0.500 nan 4.420 nan 0.000 0.270 467 P C -0.711 176.641 177.300 0.087 0.000 1.227 467 P CA -0.324 62.818 63.100 0.071 0.000 0.788 467 P CB 0.952 32.697 31.700 0.075 0.000 0.926 468 V N 1.453 121.413 119.914 0.076 0.000 2.969 468 V HA 0.352 4.472 4.120 -0.000 0.000 0.304 468 V C -2.645 173.452 176.094 0.006 0.000 1.192 468 V CA -1.452 60.889 62.300 0.068 0.000 0.962 468 V CB 2.677 34.588 31.823 0.146 0.000 1.045 468 V HN 0.563 nan 8.190 nan 0.000 0.428 469 P HA 0.381 nan 4.420 nan 0.000 0.291 469 P C -1.033 176.157 177.300 -0.182 0.000 1.340 469 P CA -0.155 62.807 63.100 -0.230 0.000 0.799 469 P CB 0.627 32.024 31.700 -0.505 0.000 0.917 470 L N 4.613 125.743 121.223 -0.156 0.000 2.259 470 L HA 0.385 4.725 4.340 -0.000 0.000 0.288 470 L C 0.868 177.593 176.870 -0.243 0.000 1.051 470 L CA -0.998 53.754 54.840 -0.148 0.000 0.824 470 L CB 1.441 43.459 42.059 -0.069 0.000 1.206 470 L HN 0.177 nan 8.230 nan 0.000 0.429 471 V N 6.465 126.158 119.914 -0.369 0.000 2.567 471 V HA 0.752 4.872 4.120 -0.000 0.000 0.289 471 V C -0.468 175.554 176.094 -0.119 0.000 1.049 471 V CA -0.304 61.787 62.300 -0.349 0.000 0.969 471 V CB 1.640 33.022 31.823 -0.736 0.000 0.995 471 V HN 0.644 nan 8.190 nan 0.000 0.471 472 L N 3.435 124.673 121.223 0.024 0.000 2.653 472 L HA 1.004 5.344 4.340 -0.000 0.000 0.257 472 L C -0.692 176.268 176.870 0.150 0.000 0.969 472 L CA -0.291 54.591 54.840 0.071 0.000 0.869 472 L CB 1.679 43.753 42.059 0.024 0.000 1.439 472 L HN 0.921 nan 8.230 nan 0.000 0.414 473 S N -0.815 115.000 115.700 0.192 0.000 2.547 473 S HA 0.991 5.461 4.470 -0.000 0.000 0.270 473 S C -0.556 174.286 174.600 0.403 0.000 1.150 473 S CA -0.170 58.195 58.200 0.276 0.000 0.850 473 S CB 1.398 64.762 63.200 0.273 0.000 1.118 473 S HN 1.486 nan 8.310 nan 0.000 0.461 474 G N 0.302 109.326 108.800 0.373 0.000 2.660 474 G HA2 0.537 4.497 3.960 -0.000 0.000 0.294 474 G HA3 0.537 4.497 3.960 -0.000 0.000 0.294 474 G C 0.150 175.178 174.900 0.214 0.000 1.369 474 G CA -0.980 44.297 45.100 0.296 0.000 0.912 474 G HN 0.464 nan 8.290 nan 0.000 0.479 475 R N -0.149 120.345 120.500 -0.010 0.000 2.081 475 R HA 0.002 4.342 4.340 -0.000 0.000 0.235 475 R C 0.604 176.832 176.300 -0.121 0.000 1.131 475 R CA 1.554 57.550 56.100 -0.172 0.000 0.960 475 R CB -0.414 29.636 30.300 -0.416 0.000 0.856 475 R HN 0.784 nan 8.270 nan 0.000 0.436 476 D N -1.796 118.480 120.400 -0.206 0.000 2.533 476 D HA 0.080 4.720 4.640 -0.000 0.000 0.247 476 D C 0.589 176.584 176.300 -0.508 0.000 1.056 476 D CA -0.714 53.003 54.000 -0.472 0.000 1.054 476 D CB 0.986 41.619 40.800 -0.278 0.000 1.400 476 D HN -0.118 nan 8.370 nan 0.000 0.533 477 E N -0.452 119.361 120.200 -0.645 0.000 2.047 477 E HA -0.269 4.081 4.350 -0.000 0.000 0.191 477 E C 1.716 178.236 176.600 -0.132 0.000 0.987 477 E CA 1.071 57.307 56.400 -0.273 0.000 0.799 477 E CB 0.053 29.696 29.700 -0.094 0.000 0.752 477 E HN 0.587 nan 8.360 nan 0.000 0.449 478 Q N 0.339 120.059 119.800 -0.133 0.000 2.248 478 Q HA -0.130 4.210 4.340 -0.000 0.000 0.208 478 Q C 0.482 176.412 176.000 -0.118 0.000 0.984 478 Q CA 0.944 56.688 55.803 -0.098 0.000 0.875 478 Q CB -0.122 28.563 28.738 -0.088 0.000 0.910 478 Q HN 0.295 nan 8.270 nan 0.000 0.433 482 A N 1.644 124.411 122.820 -0.089 0.000 1.908 482 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 482 A C 2.054 179.567 177.584 -0.119 0.000 1.181 482 A CA 2.089 54.061 52.037 -0.108 0.000 0.627 482 A CB -0.478 18.432 19.000 -0.150 0.000 0.818 482 A HN 0.311 nan 8.150 nan 0.000 0.445 483 Q N -0.313 119.398 119.800 -0.147 0.000 2.135 483 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 483 Q C 2.036 177.997 176.000 -0.066 0.000 0.981 483 Q CA 2.197 57.921 55.803 -0.131 0.000 0.856 483 Q CB -0.496 28.171 28.738 -0.119 0.000 0.902 483 Q HN 0.598 nan 8.270 nan 0.000 0.425 484 A N -0.368 122.427 122.820 -0.043 0.000 1.854 484 A HA 0.019 4.339 4.320 -0.000 0.000 0.214 484 A C 2.336 179.909 177.584 -0.018 0.000 1.192 484 A CA 1.375 53.400 52.037 -0.021 0.000 0.611 484 A CB -1.489 17.506 19.000 -0.009 0.000 0.832 484 A HN 0.550 nan 8.150 nan 0.000 0.442 485 G N -0.311 108.473 108.800 -0.025 0.000 2.505 485 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.220 485 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.220 485 G C 1.790 176.683 174.900 -0.011 0.000 1.145 485 G CA 1.317 46.406 45.100 -0.019 0.000 0.761 485 G HN 0.576 nan 8.290 nan 0.000 0.571 486 R N -0.756 119.730 120.500 -0.024 0.000 2.073 486 R HA 0.172 4.512 4.340 -0.000 0.000 0.229 486 R C 2.545 178.859 176.300 0.023 0.000 1.120 486 R CA 0.462 56.557 56.100 -0.009 0.000 0.967 486 R CB -0.466 29.810 30.300 -0.040 0.000 0.862 486 R HN 0.187 nan 8.270 nan 0.000 0.436 487 L N 0.675 121.903 121.223 0.008 0.000 2.081 487 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 487 L C 2.347 179.262 176.870 0.075 0.000 1.080 487 L CA 2.043 56.905 54.840 0.038 0.000 0.754 487 L CB -1.237 40.827 42.059 0.008 0.000 0.893 487 L HN 0.259 nan 8.230 nan 0.000 0.433 488 A N -0.728 122.116 122.820 0.041 0.000 1.933 488 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 488 A C 1.999 179.606 177.584 0.039 0.000 1.175 488 A CA 1.783 53.840 52.037 0.034 0.000 0.628 488 A CB -0.410 18.600 19.000 0.017 0.000 0.814 488 A HN 0.452 nan 8.150 nan 0.000 0.444 489 D N -1.641 118.789 120.400 0.049 0.000 2.103 489 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 489 D C 1.800 178.139 176.300 0.064 0.000 0.978 489 D CA 1.412 55.440 54.000 0.047 0.000 0.829 489 D CB -0.436 40.392 40.800 0.047 0.000 0.981 489 D HN 0.688 nan 8.370 nan 0.000 0.464 490 H N 0.897 119.970 119.070 0.005 0.000 2.389 490 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 490 H C 2.142 177.474 175.328 0.007 0.000 1.081 490 H CA 0.598 56.652 56.048 0.009 0.000 1.345 490 H CB 0.023 29.790 29.762 0.007 0.000 1.393 490 H HN 0.030 nan 8.280 nan 0.000 0.520 491 L N 1.063 122.297 121.223 0.017 0.000 2.056 491 L HA -0.021 4.318 4.340 -0.000 0.000 0.207 491 L C 2.873 179.696 176.870 -0.079 0.000 1.078 491 L CA 1.772 56.590 54.840 -0.037 0.000 0.749 491 L CB -1.241 40.846 42.059 0.046 0.000 0.901 491 L HN 0.365 nan 8.230 nan 0.000 0.433 492 A N -0.957 121.838 122.820 -0.043 0.000 1.872 492 A HA -0.160 4.160 4.320 -0.000 0.000 0.214 492 A C 2.403 179.958 177.584 -0.049 0.000 1.187 492 A CA 1.162 53.179 52.037 -0.034 0.000 0.614 492 A CB -0.419 18.574 19.000 -0.011 0.000 0.826 492 A HN 0.332 nan 8.150 nan 0.000 0.442 493 R N -0.509 119.958 120.500 -0.056 0.000 2.103 493 R HA -0.143 4.197 4.340 -0.000 0.000 0.242 493 R C 0.332 176.585 176.300 -0.078 0.000 1.142 493 R CA 1.559 57.628 56.100 -0.052 0.000 0.960 493 R CB -0.077 30.199 30.300 -0.039 0.000 0.858 493 R HN 0.468 nan 8.270 nan 0.000 0.439 494 E N -0.078 120.033 120.200 -0.148 0.000 2.346 494 E HA 0.148 4.498 4.350 -0.000 0.000 0.239 494 E C -2.088 174.436 176.600 -0.127 0.000 0.943 494 E CA -2.430 53.881 56.400 -0.148 0.000 0.751 494 E CB 1.332 30.896 29.700 -0.227 0.000 1.241 494 E HN -0.089 nan 8.360 nan 0.000 0.423 495 P HA -0.099 nan 4.420 nan 0.000 0.233 495 P C 1.028 178.305 177.300 -0.038 0.000 1.167 495 P CA 0.435 63.507 63.100 -0.048 0.000 0.770 495 P CB 0.216 31.899 31.700 -0.029 0.000 0.837 496 R N 0.317 120.791 120.500 -0.042 0.000 2.189 496 R HA -0.012 4.328 4.340 -0.000 0.000 0.223 496 R C 0.473 176.758 176.300 -0.025 0.000 1.092 496 R CA 0.411 56.493 56.100 -0.029 0.000 0.989 496 R CB -0.503 29.781 30.300 -0.026 0.000 0.876 496 R HN 0.052 nan 8.270 nan 0.000 0.457 497 N N 2.075 120.748 118.700 -0.045 0.000 2.406 497 N HA -0.084 4.656 4.740 -0.000 0.000 0.274 497 N C -0.902 174.613 175.510 0.008 0.000 1.249 497 N CA 0.373 53.416 53.050 -0.011 0.000 0.951 497 N CB 1.178 39.642 38.487 -0.038 0.000 1.241 497 N HN 0.137 nan 8.380 nan 0.000 0.485 498 S N 2.917 118.626 115.700 0.016 0.000 2.629 498 S HA -0.065 4.405 4.470 -0.000 0.000 0.302 498 S C 1.620 176.237 174.600 0.029 0.000 1.244 498 S CA -0.634 57.577 58.200 0.018 0.000 1.098 498 S CB 0.199 63.406 63.200 0.011 0.000 0.858 498 S HN 0.472 nan 8.310 nan 0.000 0.502 499 L N 6.103 127.346 121.223 0.035 0.000 2.042 499 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 499 L C 2.534 179.438 176.870 0.056 0.000 1.076 499 L CA 2.307 57.175 54.840 0.046 0.000 0.749 499 L CB -0.643 41.447 42.059 0.052 0.000 0.893 499 L HN 0.860 nan 8.230 nan 0.000 0.432 500 R N -0.622 119.924 120.500 0.076 0.000 2.080 500 R HA -0.193 4.147 4.340 -0.000 0.000 0.236 500 R C 1.890 178.172 176.300 -0.029 0.000 1.137 500 R CA 2.171 58.347 56.100 0.127 0.000 0.943 500 R CB -0.378 30.008 30.300 0.143 0.000 0.846 500 R HN 0.380 nan 8.270 nan 0.000 0.431 501 D N -0.595 119.789 120.400 -0.027 0.000 2.144 501 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 501 D C 1.776 178.038 176.300 -0.064 0.000 0.978 501 D CA 1.718 55.697 54.000 -0.037 0.000 0.833 501 D CB -0.438 40.358 40.800 -0.008 0.000 0.961 501 D HN 0.272 nan 8.370 nan 0.000 0.470 502 T N -0.214 114.313 114.554 -0.045 0.000 2.699 502 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 502 T C 1.953 176.554 174.700 -0.164 0.000 1.036 502 T CA 1.621 63.688 62.100 -0.056 0.000 1.147 502 T CB -0.676 68.202 68.868 0.018 0.000 0.862 502 T HN 0.304 nan 8.240 nan 0.000 0.446 503 G N 0.372 109.028 108.800 -0.241 0.000 2.394 503 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.214 503 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.214 503 G C 1.348 175.680 174.900 -0.946 0.000 1.176 503 G CA 0.377 45.229 45.100 -0.413 0.000 0.786 503 G HN 0.480 nan 8.290 nan 0.000 0.533 504 F N 2.498 121.575 119.950 -1.454 0.000 2.161 504 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 504 F C 2.676 178.178 175.800 -0.497 0.000 1.089 504 F CA 2.120 59.408 58.000 -1.186 0.000 1.282 504 F CB -0.465 38.113 39.000 -0.703 0.000 1.010 504 F HN 0.114 nan 8.300 nan 0.000 0.485 505 T N 1.094 115.372 114.554 -0.460 0.000 2.857 505 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 505 T C 2.169 176.668 174.700 -0.335 0.000 1.048 505 T CA 1.363 63.237 62.100 -0.376 0.000 1.139 505 T CB -0.472 68.297 68.868 -0.166 0.000 0.874 505 T HN 0.263 nan 8.240 nan 0.000 0.455 506 L N 0.474 121.516 121.223 -0.301 0.000 2.191 506 L HA -0.024 4.316 4.340 -0.000 0.000 0.212 506 L C 2.661 179.393 176.870 -0.229 0.000 1.103 506 L CA 1.060 55.767 54.840 -0.221 0.000 0.769 506 L CB -0.340 41.600 42.059 -0.199 0.000 0.908 506 L HN 0.281 nan 8.230 nan 0.000 0.438 507 A N -1.416 121.220 122.820 -0.307 0.000 2.197 507 A HA 0.011 4.331 4.320 -0.000 0.000 0.210 507 A C 2.048 179.516 177.584 -0.193 0.000 1.180 507 A CA 0.919 52.826 52.037 -0.218 0.000 0.846 507 A CB -0.147 18.784 19.000 -0.114 0.000 0.884 507 A HN 0.407 nan 8.150 nan 0.000 0.487 508 T N -4.548 109.772 114.554 -0.390 0.000 2.969 508 T HA 0.195 4.545 4.350 -0.000 0.000 0.250 508 T C 1.052 175.586 174.700 -0.276 0.000 1.021 508 T CA -0.052 61.823 62.100 -0.375 0.000 1.003 508 T CB 0.169 68.594 68.868 -0.738 0.000 1.040 508 T HN 0.162 nan 8.240 nan 0.000 0.492 509 R N 0.859 121.194 120.500 -0.275 0.000 2.659 509 R HA 0.479 4.819 4.340 -0.000 0.000 0.418 509 R C -0.220 176.014 176.300 -0.110 0.000 1.076 509 R CA -0.256 55.733 56.100 -0.185 0.000 1.093 509 R CB 0.433 30.614 30.300 -0.197 0.000 1.400 509 R HN 0.199 nan 8.270 nan 0.000 0.583 510 R N -0.101 120.341 120.500 -0.096 0.000 2.774 510 R HA 0.435 4.775 4.340 -0.000 0.000 0.272 510 R C -0.609 175.645 176.300 -0.076 0.000 1.000 510 R CA -0.734 55.346 56.100 -0.033 0.000 0.906 510 R CB 1.944 32.239 30.300 -0.009 0.000 1.227 510 R HN -0.094 nan 8.270 nan 0.000 0.468 511 S N 0.814 116.451 115.700 -0.104 0.000 2.545 511 S HA 0.390 4.860 4.470 -0.000 0.000 0.275 511 S C 0.032 174.272 174.600 -0.600 0.000 1.299 511 S CA -0.620 57.310 58.200 -0.450 0.000 1.048 511 S CB 1.283 64.044 63.200 -0.732 0.000 0.938 511 S HN 0.588 nan 8.310 nan 0.000 0.496 512 A N 3.620 126.138 122.820 -0.503 0.000 2.650 512 A HA 0.413 4.733 4.320 -0.000 0.000 0.320 512 A C -0.330 177.052 177.584 -0.336 0.000 1.466 512 A CA -0.763 51.112 52.037 -0.269 0.000 1.099 512 A CB -0.375 18.587 19.000 -0.064 0.000 1.136 512 A HN 0.855 nan 8.150 nan 0.000 0.532 513 W N 0.402 121.745 121.300 0.071 0.000 1.916 513 W HA 0.291 4.951 4.660 -0.000 0.000 0.403 513 W C 1.556 178.090 176.519 0.024 0.000 1.711 513 W CA -0.552 56.816 57.345 0.039 0.000 1.879 513 W CB 0.557 30.071 29.460 0.090 0.000 1.359 513 W HN 0.738 nan 8.180 nan 0.000 0.718 514 E N -0.492 119.921 120.200 0.356 0.000 2.047 514 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 514 E C 0.057 176.718 176.600 0.102 0.000 0.987 514 E CA 0.920 57.429 56.400 0.182 0.000 0.799 514 E CB -0.132 29.688 29.700 0.199 0.000 0.752 514 E HN 0.323 nan 8.360 nan 0.000 0.449 515 H N 0.648 119.777 119.070 0.099 0.000 2.594 515 H HA 0.344 4.900 4.556 -0.000 0.000 0.304 515 H C -0.320 175.061 175.328 0.089 0.000 1.068 515 H CA -0.238 55.852 56.048 0.069 0.000 1.308 515 H CB 0.786 30.580 29.762 0.052 0.000 1.409 515 H HN 0.014 nan 8.280 nan 0.000 0.460 516 R N 1.659 122.237 120.500 0.129 0.000 2.750 516 R HA 0.717 5.057 4.340 -0.000 0.000 0.281 516 R C -1.156 175.224 176.300 0.133 0.000 0.972 516 R CA -0.917 55.263 56.100 0.132 0.000 0.912 516 R CB 2.513 32.849 30.300 0.060 0.000 1.187 516 R HN 0.601 nan 8.270 nan 0.000 0.464 517 A N 1.764 124.673 122.820 0.148 0.000 2.475 517 A HA 0.730 5.050 4.320 -0.000 0.000 0.301 517 A C -1.212 176.435 177.584 0.105 0.000 1.059 517 A CA -0.652 51.453 52.037 0.114 0.000 0.710 517 A CB 1.945 20.990 19.000 0.074 0.000 1.288 517 A HN 0.360 nan 8.150 nan 0.000 0.408 518 V N 1.225 121.188 119.914 0.082 0.000 2.656 518 V HA 0.650 4.770 4.120 -0.000 0.000 0.307 518 V C -0.730 175.365 176.094 0.002 0.000 1.051 518 V CA -0.515 61.791 62.300 0.010 0.000 0.893 518 V CB 1.844 33.695 31.823 0.046 0.000 0.999 518 V HN 0.744 nan 8.190 nan 0.000 0.426 519 V N 4.563 124.454 119.914 -0.037 0.000 2.638 519 V HA 0.576 4.696 4.120 -0.000 0.000 0.306 519 V C -0.705 175.376 176.094 -0.021 0.000 1.052 519 V CA -0.587 61.705 62.300 -0.013 0.000 0.885 519 V CB 2.262 34.081 31.823 -0.007 0.000 0.999 519 V HN 0.622 nan 8.190 nan 0.000 0.424 520 V N 2.976 122.896 119.914 0.010 0.000 2.444 520 V HA 1.020 5.140 4.120 -0.000 0.000 0.294 520 V C 0.371 176.487 176.094 0.037 0.000 1.022 520 V CA -0.090 62.227 62.300 0.029 0.000 0.850 520 V CB 1.206 33.072 31.823 0.071 0.000 0.992 520 V HN 1.176 nan 8.190 nan 0.000 0.426 521 G N 2.988 111.812 108.800 0.039 0.000 2.404 521 G HA2 0.414 4.374 3.960 -0.000 0.000 0.298 521 G HA3 0.414 4.374 3.960 -0.000 0.000 0.298 521 G C -1.722 173.201 174.900 0.039 0.000 1.577 521 G CA -0.847 44.275 45.100 0.037 0.000 0.847 521 G HN 0.706 nan 8.290 nan 0.000 0.598 522 D N 1.203 121.625 120.400 0.036 0.000 2.389 522 D HA 0.261 4.901 4.640 -0.000 0.000 0.247 522 D C 1.398 177.714 176.300 0.027 0.000 1.128 522 D CA -0.526 53.495 54.000 0.035 0.000 0.884 522 D CB 1.944 42.763 40.800 0.031 0.000 1.194 522 D HN 0.658 nan 8.370 nan 0.000 0.441 523 R N 2.547 123.063 120.500 0.027 0.000 2.310 523 R HA -0.362 3.978 4.340 -0.000 0.000 0.188 523 R C 0.934 177.244 176.300 0.017 0.000 1.034 523 R CA 2.906 59.018 56.100 0.020 0.000 0.330 523 R CB -1.362 28.946 30.300 0.015 0.000 0.678 523 R HN 0.578 nan 8.270 nan 0.000 0.243 524 D N -0.560 119.849 120.400 0.014 0.000 2.104 524 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 524 D C 1.990 178.298 176.300 0.012 0.000 0.994 524 D CA 1.782 55.788 54.000 0.011 0.000 0.830 524 D CB -0.414 40.391 40.800 0.009 0.000 0.959 524 D HN 0.501 nan 8.370 nan 0.000 0.452 525 E N 0.500 120.709 120.200 0.015 0.000 2.077 525 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 525 E C 2.029 178.638 176.600 0.015 0.000 0.989 525 E CA 1.207 57.616 56.400 0.015 0.000 0.800 525 E CB -0.332 29.379 29.700 0.018 0.000 0.746 525 E HN 0.239 nan 8.360 nan 0.000 0.452 526 A N 0.580 123.410 122.820 0.018 0.000 1.892 526 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 526 A C 2.242 179.834 177.584 0.014 0.000 1.188 526 A CA 1.545 53.591 52.037 0.016 0.000 0.631 526 A CB -0.917 18.095 19.000 0.021 0.000 0.822 526 A HN 0.253 nan 8.150 nan 0.000 0.447 527 L N -1.050 120.182 121.223 0.014 0.000 2.013 527 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 527 L C 3.128 180.004 176.870 0.010 0.000 1.073 527 L CA 1.409 56.256 54.840 0.012 0.000 0.753 527 L CB -0.479 41.585 42.059 0.009 0.000 0.890 527 L HN 0.488 nan 8.230 nan 0.000 0.432 528 A N -0.251 122.574 122.820 0.009 0.000 1.872 528 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 528 A C 2.382 179.970 177.584 0.008 0.000 1.187 528 A CA 1.449 53.490 52.037 0.007 0.000 0.614 528 A CB -1.324 17.680 19.000 0.007 0.000 0.826 528 A HN 0.445 nan 8.150 nan 0.000 0.442 529 G N 0.044 108.850 108.800 0.009 0.000 2.469 529 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 529 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 529 G C 1.567 176.472 174.900 0.009 0.000 1.150 529 G CA 1.199 46.305 45.100 0.010 0.000 0.763 529 G HN 0.425 nan 8.290 nan 0.000 0.561 530 L N -0.205 121.023 121.223 0.008 0.000 2.046 530 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 530 L C 3.237 180.110 176.870 0.005 0.000 1.077 530 L CA 1.104 55.948 54.840 0.006 0.000 0.747 530 L CB -0.287 41.777 42.059 0.008 0.000 0.896 530 L HN 0.149 nan 8.230 nan 0.000 0.432 531 R N -0.193 120.310 120.500 0.005 0.000 2.092 531 R HA -0.109 4.231 4.340 -0.000 0.000 0.231 531 R C 2.355 178.656 176.300 0.002 0.000 1.119 531 R CA 1.269 57.371 56.100 0.003 0.000 0.970 531 R CB -0.593 29.709 30.300 0.003 0.000 0.864 531 R HN 0.364 nan 8.270 nan 0.000 0.440 532 A N 1.193 124.016 122.820 0.005 0.000 1.851 532 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 532 A C 2.457 180.045 177.584 0.007 0.000 1.195 532 A CA 1.763 53.803 52.037 0.006 0.000 0.622 532 A CB -0.828 18.177 19.000 0.008 0.000 0.831 532 A HN 0.101 nan 8.150 nan 0.000 0.444 533 V N 0.004 119.923 119.914 0.009 0.000 2.324 533 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 533 V C 3.032 179.129 176.094 0.005 0.000 1.060 533 V CA 2.202 64.509 62.300 0.012 0.000 1.042 533 V CB -1.378 30.454 31.823 0.015 0.000 0.650 533 V HN 0.654 nan 8.190 nan 0.000 0.450 534 A N -0.119 122.700 122.820 -0.001 0.000 1.902 534 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 534 A C 1.677 179.255 177.584 -0.009 0.000 1.181 534 A CA 1.958 53.989 52.037 -0.010 0.000 0.623 534 A CB -0.507 18.486 19.000 -0.011 0.000 0.818 534 A HN 0.554 nan 8.150 nan 0.000 0.443 535 D N -0.950 119.447 120.400 -0.004 0.000 2.370 535 D HA 0.357 4.997 4.640 -0.000 0.000 0.230 535 D C 1.169 177.468 176.300 -0.002 0.000 1.143 535 D CA 0.898 54.896 54.000 -0.004 0.000 0.834 535 D CB -0.268 40.530 40.800 -0.003 0.000 0.944 535 D HN 0.530 nan 8.370 nan 0.000 0.504 536 G N 1.010 109.810 108.800 0.001 0.000 2.179 536 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.257 536 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.257 536 G C 0.413 175.317 174.900 0.008 0.000 1.010 536 G CA 0.137 45.240 45.100 0.006 0.000 0.736 536 G HN 0.353 nan 8.290 nan 0.000 0.513 537 R N -0.790 119.715 120.500 0.008 0.000 2.923 537 R HA 0.822 5.162 4.340 -0.000 0.000 0.252 537 R C 0.430 176.736 176.300 0.010 0.000 1.130 537 R CA -0.741 55.363 56.100 0.008 0.000 1.043 537 R CB 1.166 31.469 30.300 0.005 0.000 1.205 537 R HN 0.430 nan 8.270 nan 0.000 0.495 538 I N -1.679 118.897 120.570 0.009 0.000 2.569 538 I HA 0.845 5.015 4.170 -0.000 0.000 0.296 538 I C -0.623 175.499 176.117 0.009 0.000 1.028 538 I CA -0.895 60.411 61.300 0.011 0.000 1.082 538 I CB 2.219 40.226 38.000 0.011 0.000 1.264 538 I HN 0.628 nan 8.210 nan 0.000 0.429 539 A N 3.330 126.156 122.820 0.010 0.000 2.530 539 A HA 0.664 4.984 4.320 -0.000 0.000 0.288 539 A C -1.263 176.327 177.584 0.010 0.000 1.172 539 A CA -0.688 51.354 52.037 0.009 0.000 0.733 539 A CB 1.282 20.287 19.000 0.009 0.000 1.320 539 A HN 0.711 nan 8.150 nan 0.000 0.419 540 D N -0.061 120.343 120.400 0.008 0.000 2.339 540 D HA 0.489 5.129 4.640 -0.000 0.000 0.245 540 D C -0.129 176.179 176.300 0.014 0.000 1.115 540 D CA 0.471 54.476 54.000 0.008 0.000 0.917 540 D CB 0.678 41.479 40.800 0.003 0.000 1.192 540 D HN 0.507 nan 8.370 nan 0.000 0.428 541 R N -0.526 119.985 120.500 0.017 0.000 3.336 541 R HA -0.150 4.190 4.340 -0.000 0.000 0.260 541 R C -0.682 175.636 176.300 0.031 0.000 1.032 541 R CA 0.619 56.736 56.100 0.027 0.000 0.693 541 R CB -2.050 28.269 30.300 0.032 0.000 1.134 541 R HN 0.275 nan 8.270 nan 0.000 0.433 542 T N -0.685 113.887 114.554 0.031 0.000 2.928 542 T HA 0.777 5.127 4.350 -0.000 0.000 0.296 542 T C -0.772 173.955 174.700 0.045 0.000 1.000 542 T CA 0.007 62.128 62.100 0.035 0.000 0.989 542 T CB 1.561 70.445 68.868 0.026 0.000 1.005 542 T HN 0.366 nan 8.240 nan 0.000 0.442 543 A N 2.367 125.225 122.820 0.064 0.000 2.337 543 A HA 0.885 5.205 4.320 -0.000 0.000 0.329 543 A C -0.125 177.507 177.584 0.080 0.000 1.146 543 A CA -0.748 51.336 52.037 0.078 0.000 0.800 543 A CB 1.601 20.671 19.000 0.116 0.000 1.220 543 A HN 0.671 nan 8.150 nan 0.000 0.472 544 T N 0.737 115.332 114.554 0.067 0.000 3.143 544 T HA 0.637 4.987 4.350 -0.000 0.000 0.312 544 T C -0.145 174.581 174.700 0.045 0.000 0.986 544 T CA 0.410 62.547 62.100 0.061 0.000 1.024 544 T CB 0.532 69.430 68.868 0.051 0.000 1.030 544 T HN 1.742 nan 8.240 nan 0.000 0.448 545 G N 2.507 111.328 108.800 0.034 0.000 2.782 545 G HA2 0.632 4.592 3.960 -0.000 0.000 0.304 545 G HA3 0.632 4.592 3.960 -0.000 0.000 0.304 545 G C -1.796 173.050 174.900 -0.089 0.000 1.315 545 G CA -0.590 44.502 45.100 -0.013 0.000 0.791 545 G HN 0.620 nan 8.290 nan 0.000 0.519 546 Q N -0.032 119.686 119.800 -0.136 0.000 2.337 546 Q HA 0.554 4.894 4.340 -0.000 0.000 0.260 546 Q C -0.235 175.673 176.000 -0.153 0.000 0.982 546 Q CA -0.665 54.992 55.803 -0.244 0.000 0.734 546 Q CB 2.044 30.609 28.738 -0.288 0.000 1.272 546 Q HN 0.849 nan 8.270 nan 0.000 0.461 547 A N 3.258 125.994 122.820 -0.139 0.000 2.445 547 A HA 0.515 4.835 4.320 -0.000 0.000 0.242 547 A C -0.170 177.363 177.584 -0.085 0.000 1.075 547 A CA 0.289 52.257 52.037 -0.116 0.000 0.777 547 A CB 0.437 19.354 19.000 -0.138 0.000 1.013 547 A HN 0.751 nan 8.150 nan 0.000 0.493 548 R N -0.166 120.292 120.500 -0.070 0.000 2.739 548 R HA 0.464 4.804 4.340 -0.000 0.000 0.271 548 R C -1.151 175.119 176.300 -0.050 0.000 1.010 548 R CA -0.718 55.352 56.100 -0.051 0.000 0.897 548 R CB 1.783 32.057 30.300 -0.043 0.000 1.236 548 R HN 0.594 nan 8.270 nan 0.000 0.466 549 T N 3.078 117.607 114.554 -0.042 0.000 2.738 549 T HA 0.185 4.535 4.350 -0.000 0.000 0.294 549 T C -0.223 174.446 174.700 -0.051 0.000 0.914 549 T CA -0.146 61.928 62.100 -0.044 0.000 1.052 549 T CB -0.047 68.799 68.868 -0.037 0.000 0.897 549 T HN 0.135 nan 8.240 nan 0.000 0.522 550 R N 4.174 124.640 120.500 -0.056 0.000 2.229 550 R HA 0.474 4.814 4.340 -0.000 0.000 0.332 550 R C -0.084 176.165 176.300 -0.085 0.000 0.989 550 R CA -0.599 55.461 56.100 -0.068 0.000 0.842 550 R CB 1.537 31.799 30.300 -0.062 0.000 1.119 550 R HN 0.418 nan 8.270 nan 0.000 0.456 551 R N 1.320 121.750 120.500 -0.116 0.000 2.473 551 R HA 0.386 4.726 4.340 -0.000 0.000 0.303 551 R C -0.597 175.544 176.300 -0.265 0.000 1.002 551 R CA -0.581 55.429 56.100 -0.151 0.000 0.884 551 R CB 2.216 32.442 30.300 -0.124 0.000 1.173 551 R HN 0.965 nan 8.270 nan 0.000 0.464 552 G N 1.667 110.295 108.800 -0.287 0.000 2.551 552 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.604 552 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.604 552 G C -0.946 173.956 174.900 0.004 0.000 1.116 552 G CA -0.991 43.842 45.100 -0.445 0.000 1.285 552 G HN 0.329 nan 8.290 nan 0.000 0.586 553 V N 1.313 121.286 119.914 0.098 0.000 2.394 553 V HA 0.890 5.010 4.120 -0.000 0.000 0.282 553 V C 0.827 176.919 176.094 -0.002 0.000 1.031 553 V CA 0.277 62.573 62.300 -0.007 0.000 0.881 553 V CB 1.107 32.896 31.823 -0.057 0.000 0.982 553 V HN 1.653 nan 8.190 nan 0.000 0.451 557 F N 5.753 125.807 119.950 0.172 0.000 2.532 557 F HA 0.578 5.105 4.527 -0.000 0.000 0.365 557 F C -1.987 173.892 175.800 0.130 0.000 1.112 557 F CA -1.934 56.156 58.000 0.150 0.000 1.082 557 F CB 1.978 41.086 39.000 0.179 0.000 1.319 557 F HN 0.279 nan 8.300 nan 0.000 0.457 558 P HA 0.385 nan 4.420 nan 0.000 0.289 558 P C 0.053 177.416 177.300 0.105 0.000 1.299 558 P CA -0.004 63.115 63.100 0.031 0.000 0.766 558 P CB 1.693 33.350 31.700 -0.071 0.000 1.226 559 G N -1.022 107.786 108.800 0.013 0.000 3.267 559 G HA2 0.151 4.111 3.960 -0.000 0.000 0.200 559 G HA3 0.151 4.111 3.960 -0.000 0.000 0.200 559 G C -0.235 174.702 174.900 0.061 0.000 1.603 559 G CA -0.148 45.009 45.100 0.095 0.000 0.753 559 G HN 0.416 nan 8.290 nan 0.000 0.755 560 Q N 0.427 120.263 119.800 0.060 0.000 2.395 560 Q HA 0.375 4.715 4.340 -0.000 0.000 0.271 560 Q C 1.149 177.148 176.000 -0.001 0.000 1.026 560 Q CA 1.197 57.025 55.803 0.043 0.000 0.900 560 Q CB 0.818 29.578 28.738 0.037 0.000 1.266 560 Q HN 1.319 nan 8.270 nan 0.000 0.430 561 G N 0.866 109.674 108.800 0.014 0.000 2.241 561 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.244 561 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.244 561 G C 0.854 175.799 174.900 0.074 0.000 0.998 561 G CA 0.709 45.819 45.100 0.016 0.000 0.621 561 G HN 0.744 nan 8.290 nan 0.000 0.519 562 A N -0.192 122.685 122.820 0.095 0.000 2.067 562 A HA 0.431 4.751 4.320 -0.000 0.000 0.217 562 A C 1.349 179.057 177.584 0.208 0.000 1.156 562 A CA 1.862 54.002 52.037 0.171 0.000 0.683 562 A CB -0.109 18.977 19.000 0.143 0.000 0.808 562 A HN 0.769 nan 8.150 nan 0.000 0.455 563 Q N 0.473 120.353 119.800 0.132 0.000 2.293 563 Q HA 0.486 4.826 4.340 -0.000 0.000 0.251 563 Q C -0.406 175.701 176.000 0.179 0.000 0.930 563 Q CA -0.225 55.635 55.803 0.094 0.000 0.893 563 Q CB 0.641 29.401 28.738 0.036 0.000 1.215 563 Q HN 0.647 nan 8.270 nan 0.000 0.425 564 W N 0.130 121.420 121.300 -0.016 0.000 3.031 564 W HA 0.462 5.122 4.660 -0.000 0.000 0.337 564 W C -1.012 175.494 176.519 -0.022 0.000 1.187 564 W CA -1.132 56.187 57.345 -0.043 0.000 1.166 564 W CB 0.881 30.300 29.460 -0.068 0.000 1.437 564 W HN 0.679 nan 8.180 nan 0.000 0.551 565 Q N 1.835 121.739 119.800 0.174 0.000 2.286 565 Q HA 0.452 4.792 4.340 -0.000 0.000 0.265 565 Q C 0.353 176.377 176.000 0.040 0.000 1.080 565 Q CA 1.591 57.421 55.803 0.045 0.000 0.906 565 Q CB -0.040 28.733 28.738 0.057 0.000 1.227 565 Q HN 0.889 nan 8.270 nan 0.000 0.409 569 R N 1.177 121.634 120.500 -0.072 0.000 2.097 569 R HA -0.220 4.120 4.340 -0.000 0.000 0.236 569 R C 1.274 177.572 176.300 -0.002 0.000 1.135 569 R CA 2.716 58.808 56.100 -0.014 0.000 0.934 569 R CB -0.252 30.044 30.300 -0.008 0.000 0.846 569 R HN 0.431 nan 8.270 nan 0.000 0.431 570 D N 0.320 120.715 120.400 -0.009 0.000 2.117 570 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 570 D C 1.771 178.033 176.300 -0.063 0.000 0.987 570 D CA 0.829 54.821 54.000 -0.013 0.000 0.829 570 D CB -0.308 40.499 40.800 0.012 0.000 0.961 570 D HN 0.195 nan 8.370 nan 0.000 0.460 571 L N 0.781 121.914 121.223 -0.150 0.000 2.376 571 L HA -0.009 4.331 4.340 -0.000 0.000 0.219 571 L C 1.859 178.643 176.870 -0.142 0.000 1.133 571 L CA 0.818 55.467 54.840 -0.318 0.000 0.816 571 L CB -0.385 41.231 42.059 -0.739 0.000 0.933 571 L HN 0.051 nan 8.230 nan 0.000 0.449 572 L N -0.849 120.402 121.223 0.046 0.000 2.093 572 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 572 L C 2.587 179.512 176.870 0.090 0.000 1.085 572 L CA 1.563 56.515 54.840 0.186 0.000 0.755 572 L CB -0.372 41.770 42.059 0.139 0.000 0.904 572 L HN 0.354 nan 8.230 nan 0.000 0.435 573 R N -0.220 120.301 120.500 0.034 0.000 2.052 573 R HA -0.133 4.207 4.340 -0.000 0.000 0.226 573 R C 2.005 178.308 176.300 0.004 0.000 1.145 573 R CA 1.426 57.537 56.100 0.018 0.000 0.952 573 R CB -0.156 30.149 30.300 0.009 0.000 0.847 573 R HN 0.384 nan 8.270 nan 0.000 0.431 574 E N -0.047 120.139 120.200 -0.024 0.000 2.338 574 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 574 E C 0.169 176.737 176.600 -0.053 0.000 1.007 574 E CA 0.451 56.827 56.400 -0.040 0.000 0.849 574 E CB 0.236 29.898 29.700 -0.063 0.000 0.774 574 E HN -0.023 nan 8.360 nan 0.000 0.506 575 S N -0.453 115.213 115.700 -0.057 0.000 2.532 575 S HA 0.174 4.644 4.470 -0.000 0.000 0.299 575 S C 0.161 174.780 174.600 0.031 0.000 1.105 575 S CA -0.713 57.457 58.200 -0.050 0.000 1.018 575 S CB 1.776 64.879 63.200 -0.162 0.000 1.021 575 S HN -0.072 nan 8.310 nan 0.000 0.483 576 Q N 3.520 123.331 119.800 0.017 0.000 2.036 576 Q HA 0.071 4.411 4.340 -0.000 0.000 0.195 576 Q C 1.899 177.914 176.000 0.026 0.000 0.971 576 Q CA 2.011 57.828 55.803 0.022 0.000 0.826 576 Q CB -0.816 27.927 28.738 0.009 0.000 0.896 576 Q HN 0.674 nan 8.270 nan 0.000 0.449 577 V N 1.058 120.982 119.914 0.017 0.000 2.277 577 V HA -0.313 3.807 4.120 -0.000 0.000 0.255 577 V C 2.082 178.193 176.094 0.028 0.000 1.074 577 V CA 2.329 64.638 62.300 0.014 0.000 1.058 577 V CB -0.782 31.045 31.823 0.008 0.000 0.656 577 V HN 0.417 nan 8.190 nan 0.000 0.449 578 F N 0.983 120.864 119.950 -0.115 0.000 2.060 578 F HA -0.042 4.485 4.527 -0.000 0.000 0.295 578 F C 2.320 178.071 175.800 -0.081 0.000 1.120 578 F CA 1.580 59.509 58.000 -0.119 0.000 1.205 578 F CB -0.669 38.225 39.000 -0.177 0.000 0.986 578 F HN 0.055 nan 8.300 nan 0.000 0.470 579 A N -0.049 122.812 122.820 0.069 0.000 1.978 579 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 579 A C 1.868 179.396 177.584 -0.094 0.000 1.170 579 A CA 2.050 54.069 52.037 -0.030 0.000 0.636 579 A CB -1.066 17.966 19.000 0.054 0.000 0.810 579 A HN 0.489 nan 8.150 nan 0.000 0.448 580 D N -0.644 119.717 120.400 -0.066 0.000 2.092 580 D HA -0.120 4.520 4.640 -0.000 0.000 0.193 580 D C 2.290 178.529 176.300 -0.102 0.000 0.994 580 D CA 1.650 55.612 54.000 -0.064 0.000 0.828 580 D CB -0.459 40.320 40.800 -0.036 0.000 0.963 580 D HN 0.376 nan 8.370 nan 0.000 0.450 581 S N -0.389 115.221 115.700 -0.149 0.000 2.348 581 S HA -0.114 4.356 4.470 -0.000 0.000 0.221 581 S C 2.020 176.477 174.600 -0.239 0.000 1.033 581 S CA 0.579 58.670 58.200 -0.181 0.000 1.010 581 S CB -0.243 62.829 63.200 -0.214 0.000 0.891 581 S HN 0.101 nan 8.310 nan 0.000 0.442 582 I N 1.374 121.727 120.570 -0.362 0.000 2.185 582 I HA -0.175 3.995 4.170 -0.000 0.000 0.246 582 I C 2.639 178.655 176.117 -0.168 0.000 1.088 582 I CA 1.528 62.640 61.300 -0.313 0.000 1.347 582 I CB -1.211 36.571 38.000 -0.364 0.000 1.041 582 I HN 0.279 nan 8.210 nan 0.000 0.415 583 R N 1.278 121.699 120.500 -0.130 0.000 2.075 583 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 583 R C 1.776 178.033 176.300 -0.072 0.000 1.126 583 R CA 1.379 57.431 56.100 -0.081 0.000 0.963 583 R CB -0.409 29.855 30.300 -0.059 0.000 0.858 583 R HN 0.348 nan 8.270 nan 0.000 0.435 584 D N -0.876 119.478 120.400 -0.076 0.000 2.182 584 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 584 D C 1.777 178.041 176.300 -0.061 0.000 0.986 584 D CA 1.066 55.031 54.000 -0.058 0.000 0.847 584 D CB -0.512 40.259 40.800 -0.048 0.000 0.942 584 D HN 0.242 nan 8.370 nan 0.000 0.467 585 C N 0.497 119.747 119.300 -0.084 0.000 2.462 585 C HA -0.071 4.389 4.460 -0.000 0.000 0.278 585 C C 2.603 177.561 174.990 -0.053 0.000 1.253 585 C CA 0.451 59.430 59.018 -0.065 0.000 1.713 585 C CB -0.755 26.928 27.740 -0.095 0.000 2.049 585 C HN 0.420 nan 8.230 nan 0.000 0.477 586 E N 0.464 120.625 120.200 -0.065 0.000 2.209 586 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 586 E C 2.409 178.961 176.600 -0.080 0.000 0.993 586 E CA 0.840 57.196 56.400 -0.074 0.000 0.819 586 E CB -0.161 29.507 29.700 -0.054 0.000 0.745 586 E HN 0.496 nan 8.360 nan 0.000 0.477 587 R N -0.234 120.229 120.500 -0.063 0.000 2.073 587 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 587 R C 2.108 178.375 176.300 -0.056 0.000 1.120 587 R CA 1.153 57.218 56.100 -0.058 0.000 0.967 587 R CB -0.172 30.101 30.300 -0.045 0.000 0.862 587 R HN 0.179 nan 8.270 nan 0.000 0.436 588 A N 0.316 123.111 122.820 -0.041 0.000 2.066 588 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 588 A C 1.869 179.455 177.584 0.003 0.000 1.157 588 A CA 0.785 52.812 52.037 -0.017 0.000 0.670 588 A CB -0.031 18.962 19.000 -0.011 0.000 0.804 588 A HN 0.315 nan 8.150 nan 0.000 0.453 589 L N -1.668 119.527 121.223 -0.047 0.000 2.590 589 L HA 0.170 4.510 4.340 -0.000 0.000 0.227 589 L C 2.692 179.462 176.870 -0.167 0.000 1.099 589 L CA 0.519 55.310 54.840 -0.081 0.000 0.872 589 L CB -0.122 41.832 42.059 -0.175 0.000 1.088 589 L HN 0.336 nan 8.230 nan 0.000 0.479 590 A N 1.606 124.326 122.820 -0.167 0.000 1.917 590 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 590 A C 0.076 177.533 177.584 -0.212 0.000 1.182 590 A CA 1.875 53.799 52.037 -0.189 0.000 0.633 590 A CB -1.705 17.212 19.000 -0.138 0.000 0.819 590 A HN 0.297 nan 8.150 nan 0.000 0.448 591 P HA -0.145 nan 4.420 nan 0.000 0.215 591 P C 0.561 177.612 177.300 -0.415 0.000 1.157 591 P CA 1.742 64.609 63.100 -0.388 0.000 0.863 591 P CB -0.405 30.939 31.700 -0.593 0.000 0.787 592 H N -1.919 117.054 119.070 -0.162 0.000 2.563 592 H HA 0.293 4.849 4.556 -0.000 0.000 0.264 592 H C 0.350 175.560 175.328 -0.197 0.000 0.957 592 H CA -0.159 55.793 56.048 -0.159 0.000 1.173 592 H CB 0.181 29.847 29.762 -0.161 0.000 1.420 592 H HN -0.064 nan 8.280 nan 0.000 0.551 593 V N 2.005 121.799 119.914 -0.200 0.000 2.760 593 V HA 0.059 4.179 4.120 -0.000 0.000 0.309 593 V C -0.491 175.337 176.094 -0.444 0.000 1.077 593 V CA -0.755 61.303 62.300 -0.402 0.000 0.910 593 V CB 2.175 33.548 31.823 -0.751 0.000 1.008 593 V HN 0.416 nan 8.190 nan 0.000 0.424 594 D N 2.966 123.171 120.400 -0.326 0.000 2.358 594 D HA 0.048 4.688 4.640 -0.000 0.000 0.224 594 D C -0.026 176.258 176.300 -0.027 0.000 1.123 594 D CA -0.174 53.745 54.000 -0.136 0.000 0.833 594 D CB 0.246 41.041 40.800 -0.009 0.000 0.946 594 D HN 0.502 nan 8.370 nan 0.000 0.505 595 W N -0.704 120.589 121.300 -0.012 0.000 2.929 595 W HA 0.606 5.266 4.660 -0.000 0.000 0.345 595 W C -0.597 175.914 176.519 -0.013 0.000 1.151 595 W CA -1.374 55.964 57.345 -0.012 0.000 1.111 595 W CB 0.544 29.998 29.460 -0.010 0.000 1.449 595 W HN -0.170 nan 8.180 nan 0.000 0.572 596 S N 1.181 117.076 115.700 0.326 0.000 2.499 596 S HA 0.204 4.674 4.470 -0.000 0.000 0.279 596 S C 0.687 175.494 174.600 0.344 0.000 1.219 596 S CA -0.652 57.664 58.200 0.193 0.000 1.062 596 S CB 1.062 64.333 63.200 0.118 0.000 0.978 596 S HN 0.582 nan 8.310 nan 0.000 0.489 597 L N 4.168 125.515 121.223 0.206 0.000 2.093 597 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 597 L C 2.302 179.257 176.870 0.141 0.000 1.085 597 L CA 1.460 56.447 54.840 0.246 0.000 0.755 597 L CB -0.652 41.473 42.059 0.109 0.000 0.904 597 L HN 0.777 nan 8.230 nan 0.000 0.435 598 T N -0.823 113.780 114.554 0.083 0.000 2.732 598 T HA -0.159 4.191 4.350 -0.000 0.000 0.261 598 T C 1.359 176.089 174.700 0.050 0.000 1.040 598 T CA 1.394 63.523 62.100 0.048 0.000 1.145 598 T CB -0.209 68.675 68.868 0.027 0.000 0.866 598 T HN 0.327 nan 8.240 nan 0.000 0.427 599 D N 1.322 121.758 120.400 0.061 0.000 2.133 599 D HA -0.076 4.564 4.640 -0.000 0.000 0.195 599 D C 2.060 178.380 176.300 0.034 0.000 0.997 599 D CA 0.521 54.549 54.000 0.047 0.000 0.840 599 D CB -0.533 40.303 40.800 0.060 0.000 0.947 599 D HN 0.165 nan 8.370 nan 0.000 0.452 600 L N 0.342 121.598 121.223 0.055 0.000 1.970 600 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 600 L C 2.278 179.135 176.870 -0.022 0.000 1.071 600 L CA 1.425 56.262 54.840 -0.005 0.000 0.751 600 L CB -0.515 41.543 42.059 -0.003 0.000 0.889 600 L HN 0.109 nan 8.230 nan 0.000 0.432 601 L N -1.075 120.151 121.223 0.005 0.000 2.044 601 L HA -0.160 4.180 4.340 -0.000 0.000 0.205 601 L C 2.597 179.457 176.870 -0.016 0.000 1.075 601 L CA 1.103 55.933 54.840 -0.017 0.000 0.747 601 L CB -0.331 41.733 42.059 0.009 0.000 0.903 601 L HN 0.196 nan 8.230 nan 0.000 0.435 602 S N -0.320 115.383 115.700 0.006 0.000 2.414 602 S HA -0.050 4.420 4.470 -0.000 0.000 0.227 602 S C 1.808 176.410 174.600 0.003 0.000 1.022 602 S CA 0.992 59.197 58.200 0.008 0.000 0.958 602 S CB -0.139 63.071 63.200 0.017 0.000 0.797 602 S HN 0.569 nan 8.310 nan 0.000 0.493 603 G N 0.416 109.216 108.800 0.000 0.000 2.744 603 G HA2 0.301 4.261 3.960 -0.000 0.000 0.211 603 G HA3 0.301 4.261 3.960 -0.000 0.000 0.211 603 G C 0.645 175.538 174.900 -0.011 0.000 1.143 603 G CA 0.382 45.480 45.100 -0.003 0.000 0.788 603 G HN 0.755 nan 8.290 nan 0.000 0.534 604 A N -0.205 122.602 122.820 -0.021 0.000 2.687 604 A HA -0.185 4.135 4.320 -0.000 0.000 0.299 604 A C 1.031 178.595 177.584 -0.033 0.000 1.497 604 A CA 0.776 52.797 52.037 -0.027 0.000 0.751 604 A CB -1.475 17.525 19.000 0.000 0.000 1.048 604 A HN 0.404 nan 8.150 nan 0.000 0.464 605 R N -0.844 119.624 120.500 -0.053 0.000 2.637 605 R HA 0.409 4.749 4.340 -0.000 0.000 0.269 605 R C -2.385 173.868 176.300 -0.078 0.000 1.089 605 R CA -1.778 54.284 56.100 -0.064 0.000 1.177 605 R CB -0.437 29.811 30.300 -0.086 0.000 1.091 605 R HN 0.256 nan 8.270 nan 0.000 0.540 606 P HA -0.079 nan 4.420 nan 0.000 0.266 606 P C -0.240 176.992 177.300 -0.114 0.000 1.186 606 P CA 0.299 63.352 63.100 -0.078 0.000 0.767 606 P CB 0.360 32.017 31.700 -0.072 0.000 0.820 607 L N 2.729 123.899 121.223 -0.090 0.000 3.025 607 L HA 0.220 4.560 4.340 -0.000 0.000 0.307 607 L C 0.289 177.121 176.870 -0.065 0.000 1.303 607 L CA 0.371 55.151 54.840 -0.101 0.000 0.817 607 L CB -0.056 41.956 42.059 -0.079 0.000 1.227 607 L HN 0.279 nan 8.230 nan 0.000 0.571 608 D N -1.512 118.850 120.400 -0.063 0.000 2.469 608 D HA 0.083 4.723 4.640 -0.000 0.000 0.213 608 D C 0.618 176.909 176.300 -0.015 0.000 1.135 608 D CA -0.294 53.689 54.000 -0.027 0.000 0.834 608 D CB 0.497 41.285 40.800 -0.021 0.000 1.009 608 D HN 0.153 nan 8.370 nan 0.000 0.507 609 R N 1.186 121.657 120.500 -0.049 0.000 2.221 609 R HA 0.274 4.614 4.340 -0.000 0.000 0.327 609 R C 1.317 177.615 176.300 -0.003 0.000 1.033 609 R CA -0.335 55.747 56.100 -0.031 0.000 0.887 609 R CB 2.066 32.319 30.300 -0.078 0.000 1.057 609 R HN -0.167 nan 8.270 nan 0.000 0.455 610 V N 2.539 122.477 119.914 0.040 0.000 2.324 610 V HA -0.311 3.809 4.120 -0.000 0.000 0.250 610 V C 1.748 177.860 176.094 0.030 0.000 1.060 610 V CA 2.207 64.532 62.300 0.041 0.000 1.042 610 V CB -0.511 31.278 31.823 -0.057 0.000 0.650 610 V HN 0.804 nan 8.190 nan 0.000 0.450 611 D N -0.082 120.343 120.400 0.042 0.000 2.348 611 D HA -0.071 4.569 4.640 -0.000 0.000 0.216 611 D C 1.788 178.248 176.300 0.267 0.000 0.970 611 D CA 0.855 54.927 54.000 0.119 0.000 0.889 611 D CB -0.078 40.796 40.800 0.122 0.000 0.912 611 D HN 0.417 nan 8.370 nan 0.000 0.524 612 V N 0.228 120.195 119.914 0.087 0.000 2.581 612 V HA -0.094 4.026 4.120 -0.000 0.000 0.240 612 V C 2.711 178.790 176.094 -0.025 0.000 1.054 612 V CA 0.461 62.674 62.300 -0.146 0.000 1.076 612 V CB 0.064 31.542 31.823 -0.575 0.000 0.748 612 V HN 0.051 nan 8.190 nan 0.000 0.474 613 V N 0.124 120.031 119.914 -0.011 0.000 2.237 613 V HA -0.305 3.815 4.120 -0.000 0.000 0.245 613 V C 2.518 178.673 176.094 0.102 0.000 1.046 613 V CA 2.203 64.519 62.300 0.027 0.000 1.007 613 V CB -0.808 31.040 31.823 0.041 0.000 0.638 613 V HN 0.545 nan 8.190 nan 0.000 0.445 614 Q N -0.315 119.552 119.800 0.112 0.000 2.061 614 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 614 Q C 0.180 176.275 176.000 0.158 0.000 0.984 614 Q CA 2.242 58.116 55.803 0.119 0.000 0.846 614 Q CB -1.465 27.316 28.738 0.071 0.000 0.902 614 Q HN 0.558 nan 8.270 nan 0.000 0.421 615 P HA -0.112 nan 4.420 nan 0.000 0.217 615 P C 0.824 178.309 177.300 0.308 0.000 1.150 615 P CA 1.751 64.980 63.100 0.216 0.000 0.832 615 P CB -0.112 31.703 31.700 0.192 0.000 0.787 616 A N -0.768 122.241 122.820 0.315 0.000 2.015 616 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 616 A C 2.200 179.866 177.584 0.136 0.000 1.163 616 A CA 1.025 53.200 52.037 0.229 0.000 0.646 616 A CB -1.570 17.533 19.000 0.171 0.000 0.806 616 A HN 0.148 nan 8.150 nan 0.000 0.448 617 L N -1.743 119.568 121.223 0.146 0.000 2.131 617 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 617 L C 2.372 179.332 176.870 0.151 0.000 1.087 617 L CA 1.373 56.290 54.840 0.129 0.000 0.767 617 L CB -0.309 41.832 42.059 0.136 0.000 0.917 617 L HN 0.529 nan 8.230 nan 0.000 0.441 618 F N 0.736 120.713 119.950 0.045 0.000 2.126 618 F HA -0.279 4.248 4.527 -0.000 0.000 0.299 618 F C 2.231 178.026 175.800 -0.008 0.000 1.096 618 F CA 1.579 59.583 58.000 0.007 0.000 1.255 618 F CB -0.401 38.572 39.000 -0.045 0.000 0.997 618 F HN 0.065 nan 8.300 nan 0.000 0.479 619 A N 0.543 123.247 122.820 -0.195 0.000 1.855 619 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 619 A C 1.496 178.930 177.584 -0.250 0.000 1.191 619 A CA 1.123 52.971 52.037 -0.315 0.000 0.613 619 A CB -1.296 17.650 19.000 -0.090 0.000 0.829 619 A HN 0.143 nan 8.150 nan 0.000 0.442 623 S N 0.917 116.559 115.700 -0.096 0.000 2.357 623 S HA -0.006 4.464 4.470 -0.000 0.000 0.221 623 S C 1.833 176.532 174.600 0.166 0.000 1.031 623 S CA 1.731 59.844 58.200 -0.144 0.000 0.982 623 S CB -0.190 62.607 63.200 -0.672 0.000 0.853 623 S HN 0.472 nan 8.310 nan 0.000 0.458 624 L N 1.302 122.733 121.223 0.346 0.000 2.129 624 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 624 L C 2.750 179.903 176.870 0.471 0.000 1.087 624 L CA 1.185 56.273 54.840 0.412 0.000 0.757 624 L CB -0.736 41.581 42.059 0.430 0.000 0.896 624 L HN 0.345 nan 8.230 nan 0.000 0.434 625 A N 0.015 123.089 122.820 0.422 0.000 1.855 625 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 625 A C 2.574 180.365 177.584 0.345 0.000 1.191 625 A CA 1.650 53.952 52.037 0.441 0.000 0.613 625 A CB -0.834 18.409 19.000 0.406 0.000 0.829 625 A HN 0.383 nan 8.150 nan 0.000 0.442 626 A N -0.518 122.436 122.820 0.223 0.000 1.948 626 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 626 A C 2.232 179.916 177.584 0.167 0.000 1.177 626 A CA 1.713 53.844 52.037 0.157 0.000 0.636 626 A CB -0.606 18.442 19.000 0.081 0.000 0.815 626 A HN 0.547 nan 8.150 nan 0.000 0.449 627 L N -2.386 118.932 121.223 0.160 0.000 2.072 627 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 627 L C 2.463 179.449 176.870 0.193 0.000 1.079 627 L CA 1.284 56.146 54.840 0.038 0.000 0.752 627 L CB -0.320 41.579 42.059 -0.268 0.000 0.906 627 L HN 0.670 nan 8.230 nan 0.000 0.436 628 W N 0.539 122.015 121.300 0.292 0.000 2.325 628 W HA -0.215 4.445 4.660 -0.000 0.000 0.299 628 W C 2.690 179.339 176.519 0.216 0.000 1.215 628 W CA 1.183 58.710 57.345 0.304 0.000 1.244 628 W CB -0.065 29.516 29.460 0.201 0.000 1.140 628 W HN 0.071 nan 8.180 nan 0.000 0.523 629 R N -0.308 120.433 120.500 0.401 0.000 2.119 629 R HA -0.078 4.262 4.340 -0.000 0.000 0.222 629 R C 2.334 178.743 176.300 0.181 0.000 1.088 629 R CA 1.425 57.678 56.100 0.255 0.000 0.984 629 R CB -0.797 29.617 30.300 0.189 0.000 0.884 629 R HN 0.114 nan 8.270 nan 0.000 0.447 630 S N 0.269 116.070 115.700 0.168 0.000 2.547 630 S HA -0.111 4.359 4.470 -0.000 0.000 0.235 630 S C 0.975 175.541 174.600 -0.056 0.000 0.980 630 S CA 0.725 58.958 58.200 0.055 0.000 0.941 630 S CB -0.192 63.024 63.200 0.027 0.000 0.763 630 S HN 0.406 nan 8.310 nan 0.000 0.532 631 H N 0.335 119.449 119.070 0.073 0.000 2.486 631 H HA 0.329 4.885 4.556 -0.000 0.000 0.284 631 H C 1.473 176.817 175.328 0.026 0.000 1.103 631 H CA 0.048 56.103 56.048 0.011 0.000 1.089 631 H CB 0.181 29.904 29.762 -0.064 0.000 1.603 631 H HN 0.579 nan 8.280 nan 0.000 0.557 632 G N 1.474 110.358 108.800 0.141 0.000 2.179 632 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 632 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 632 G C 0.216 175.195 174.900 0.131 0.000 1.010 632 G CA 0.374 45.540 45.100 0.110 0.000 0.736 632 G HN 0.234 nan 8.290 nan 0.000 0.513 633 V N 1.079 121.116 119.914 0.206 0.000 2.334 633 V HA 0.449 4.569 4.120 -0.000 0.000 0.267 633 V C 0.069 176.242 176.094 0.131 0.000 1.040 633 V CA -0.410 61.993 62.300 0.172 0.000 0.866 633 V CB 1.454 33.441 31.823 0.272 0.000 1.019 633 V HN 0.305 nan 8.190 nan 0.000 0.468 634 E N 6.468 126.713 120.200 0.075 0.000 2.185 634 E HA 0.395 4.745 4.350 -0.000 0.000 0.261 634 E C -2.516 174.113 176.600 0.049 0.000 0.879 634 E CA -1.752 54.691 56.400 0.072 0.000 0.756 634 E CB 2.544 32.285 29.700 0.067 0.000 1.152 634 E HN 0.439 nan 8.360 nan 0.000 0.416 635 P HA 0.166 nan 4.420 nan 0.000 0.276 635 P C 0.011 177.365 177.300 0.090 0.000 1.243 635 P CA -0.129 62.999 63.100 0.046 0.000 0.768 635 P CB 1.317 33.053 31.700 0.059 0.000 0.856 636 A N 2.826 125.734 122.820 0.146 0.000 2.208 636 A HA 0.475 4.795 4.320 -0.000 0.000 0.209 636 A C 0.917 178.655 177.584 0.256 0.000 1.161 636 A CA 0.937 53.108 52.037 0.224 0.000 0.782 636 A CB -0.214 18.954 19.000 0.280 0.000 0.816 636 A HN 0.758 nan 8.150 nan 0.000 0.477 637 A N -1.268 121.619 122.820 0.112 0.000 2.608 637 A HA 0.594 4.914 4.320 -0.000 0.000 0.292 637 A C -0.855 176.726 177.584 -0.005 0.000 1.066 637 A CA 0.084 52.126 52.037 0.008 0.000 0.676 637 A CB 0.683 19.542 19.000 -0.234 0.000 1.277 637 A HN 1.322 nan 8.150 nan 0.000 0.413 638 V N -1.377 118.598 119.914 0.102 0.000 2.876 638 V HA 0.952 5.072 4.120 -0.000 0.000 0.312 638 V C -0.733 175.503 176.094 0.236 0.000 1.085 638 V CA -0.821 61.595 62.300 0.192 0.000 0.945 638 V CB 1.321 33.332 31.823 0.313 0.000 1.017 638 V HN 1.259 nan 8.190 nan 0.000 0.428 639 V N 1.276 121.364 119.914 0.290 0.000 2.876 639 V HA 1.001 5.121 4.120 -0.000 0.000 0.312 639 V C 0.538 176.905 176.094 0.455 0.000 1.085 639 V CA 0.099 62.590 62.300 0.318 0.000 0.945 639 V CB 1.517 33.494 31.823 0.256 0.000 1.017 639 V HN 1.427 nan 8.190 nan 0.000 0.428 640 G N 0.308 109.365 108.800 0.429 0.000 2.574 640 G HA2 0.607 4.567 3.960 -0.000 0.000 0.299 640 G HA3 0.607 4.567 3.960 -0.000 0.000 0.299 640 G C -1.774 173.372 174.900 0.411 0.000 1.298 640 G CA -0.435 44.931 45.100 0.444 0.000 0.952 640 G HN 0.766 nan 8.290 nan 0.000 0.477 641 H N 1.082 120.302 119.070 0.249 0.000 2.646 641 H HA 0.558 5.114 4.556 -0.000 0.000 0.328 641 H C 0.701 176.125 175.328 0.159 0.000 0.998 641 H CA 0.530 56.667 56.048 0.149 0.000 1.225 641 H CB 1.497 31.233 29.762 -0.042 0.000 1.457 641 H HN 0.815 nan 8.280 nan 0.000 0.505 642 S N 3.079 118.899 115.700 0.201 0.000 3.736 642 S HA -0.389 4.081 4.470 -0.000 0.000 0.627 642 S C 2.141 176.932 174.600 0.318 0.000 2.426 642 S CA 2.366 60.756 58.200 0.317 0.000 4.022 642 S CB -1.110 62.358 63.200 0.446 0.000 0.237 642 S HN 0.933 nan 8.310 nan 0.000 0.967 643 Q N 0.558 120.526 119.800 0.279 0.000 2.250 643 Q HA -0.203 4.137 4.340 -0.000 0.000 0.215 643 Q C 2.099 178.241 176.000 0.237 0.000 1.002 643 Q CA 2.405 58.334 55.803 0.210 0.000 0.910 643 Q CB -1.423 27.417 28.738 0.171 0.000 0.939 643 Q HN 0.990 nan 8.270 nan 0.000 0.416 644 G N 1.157 110.128 108.800 0.286 0.000 2.462 644 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 644 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 644 G C 1.163 176.255 174.900 0.320 0.000 1.121 644 G CA 0.781 46.071 45.100 0.316 0.000 0.758 644 G HN 0.481 nan 8.290 nan 0.000 0.559 645 E N -0.064 120.357 120.200 0.368 0.000 2.265 645 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 645 E C 2.380 179.267 176.600 0.479 0.000 0.996 645 E CA 0.431 57.096 56.400 0.442 0.000 0.832 645 E CB -0.081 29.942 29.700 0.539 0.000 0.756 645 E HN 0.567 nan 8.360 nan 0.000 0.491 646 I N 0.950 121.701 120.570 0.302 0.000 2.162 646 I HA -0.217 3.953 4.170 -0.000 0.000 0.238 646 I C 2.642 178.868 176.117 0.182 0.000 1.076 646 I CA 0.942 62.288 61.300 0.077 0.000 1.353 646 I CB -0.405 37.467 38.000 -0.215 0.000 1.063 646 I HN 0.010 nan 8.210 nan 0.000 0.408 647 A N 0.889 123.831 122.820 0.204 0.000 1.908 647 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 647 A C 2.513 179.870 177.584 -0.379 0.000 1.181 647 A CA 2.153 54.188 52.037 -0.002 0.000 0.627 647 A CB -0.927 17.959 19.000 -0.190 0.000 0.818 647 A HN 0.461 nan 8.150 nan 0.000 0.445 648 A N -0.297 122.309 122.820 -0.356 0.000 1.898 648 A HA 0.210 4.530 4.320 -0.000 0.000 0.216 648 A C 2.503 180.105 177.584 0.031 0.000 1.181 648 A CA 1.925 53.834 52.037 -0.215 0.000 0.620 648 A CB -1.028 18.099 19.000 0.212 0.000 0.819 648 A HN 1.123 nan 8.150 nan 0.000 0.442 649 A N -0.804 122.113 122.820 0.161 0.000 1.978 649 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 649 A C 2.015 179.692 177.584 0.153 0.000 1.170 649 A CA 2.296 54.458 52.037 0.209 0.000 0.636 649 A CB -0.776 18.466 19.000 0.404 0.000 0.810 649 A HN 0.818 nan 8.150 nan 0.000 0.448 650 H N -0.942 118.164 119.070 0.060 0.000 2.343 650 H HA 0.038 4.594 4.556 -0.000 0.000 0.303 650 H C 1.773 177.112 175.328 0.018 0.000 1.068 650 H CA 1.651 57.733 56.048 0.057 0.000 1.359 650 H CB -0.229 29.609 29.762 0.127 0.000 1.402 650 H HN 0.073 nan 8.280 nan 0.000 0.515 651 V N 0.914 120.742 119.914 -0.142 0.000 2.490 651 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 651 V C 2.552 178.602 176.094 -0.072 0.000 1.061 651 V CA 1.636 63.855 62.300 -0.135 0.000 1.064 651 V CB -1.112 30.707 31.823 -0.008 0.000 0.670 651 V HN 0.693 nan 8.190 nan 0.000 0.461 652 A N -0.612 122.195 122.820 -0.021 0.000 2.168 652 A HA 0.306 4.626 4.320 -0.000 0.000 0.215 652 A C 1.948 179.517 177.584 -0.026 0.000 1.152 652 A CA 1.134 53.176 52.037 0.009 0.000 0.716 652 A CB -0.542 18.484 19.000 0.044 0.000 0.794 652 A HN 1.301 nan 8.150 nan 0.000 0.465 653 G N -2.431 106.321 108.800 -0.080 0.000 2.142 653 G HA2 0.019 3.979 3.960 -0.000 0.000 0.225 653 G HA3 0.019 3.979 3.960 -0.000 0.000 0.225 653 G C 0.805 175.694 174.900 -0.019 0.000 1.015 653 G CA 0.642 45.700 45.100 -0.070 0.000 0.716 653 G HN 1.392 nan 8.290 nan 0.000 0.508 654 A N -0.988 121.837 122.820 0.008 0.000 2.147 654 A HA 0.730 5.050 4.320 -0.000 0.000 0.211 654 A C 0.887 178.516 177.584 0.074 0.000 1.160 654 A CA 0.925 52.984 52.037 0.037 0.000 0.781 654 A CB 0.335 19.362 19.000 0.044 0.000 0.842 654 A HN 0.793 nan 8.150 nan 0.000 0.475 655 L N 0.616 121.898 121.223 0.098 0.000 2.455 655 L HA 0.326 4.666 4.340 -0.000 0.000 0.264 655 L C -0.212 176.786 176.870 0.213 0.000 0.968 655 L CA -0.898 54.026 54.840 0.140 0.000 0.827 655 L CB 2.416 44.569 42.059 0.157 0.000 1.317 655 L HN 0.227 nan 8.230 nan 0.000 0.407 656 T N -0.666 113.978 114.554 0.150 0.000 2.930 656 T HA 0.099 4.449 4.350 -0.000 0.000 0.306 656 T C 1.085 175.896 174.700 0.186 0.000 1.045 656 T CA -0.622 61.579 62.100 0.168 0.000 1.134 656 T CB 1.203 70.118 68.868 0.079 0.000 0.961 656 T HN 0.517 nan 8.240 nan 0.000 0.545 657 L N 1.310 122.653 121.223 0.199 0.000 2.211 657 L HA -0.145 4.195 4.340 -0.000 0.000 0.216 657 L C 2.161 178.998 176.870 -0.055 0.000 1.092 657 L CA 1.906 56.699 54.840 -0.079 0.000 0.767 657 L CB -0.833 41.196 42.059 -0.051 0.000 0.894 657 L HN 0.800 nan 8.230 nan 0.000 0.437 658 E N -0.828 119.364 120.200 -0.012 0.000 2.112 658 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 658 E C 1.882 178.434 176.600 -0.079 0.000 0.979 658 E CA 1.047 57.434 56.400 -0.023 0.000 0.814 658 E CB -0.159 29.548 29.700 0.012 0.000 0.762 658 E HN 0.510 nan 8.360 nan 0.000 0.460 659 D N 0.310 120.662 120.400 -0.079 0.000 2.091 659 D HA -0.063 4.577 4.640 -0.000 0.000 0.199 659 D C 1.931 178.065 176.300 -0.277 0.000 0.980 659 D CA 1.398 55.314 54.000 -0.141 0.000 0.831 659 D CB -0.268 40.492 40.800 -0.068 0.000 0.987 659 D HN 0.166 nan 8.370 nan 0.000 0.460 660 A N 1.250 123.914 122.820 -0.260 0.000 1.940 660 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 660 A C 2.296 179.380 177.584 -0.833 0.000 1.176 660 A CA 2.433 54.181 52.037 -0.482 0.000 0.631 660 A CB -0.664 18.186 19.000 -0.249 0.000 0.814 660 A HN 0.252 nan 8.150 nan 0.000 0.446 661 A N -0.254 122.220 122.820 -0.577 0.000 1.855 661 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 661 A C 2.147 179.389 177.584 -0.571 0.000 1.191 661 A CA 1.951 53.679 52.037 -0.514 0.000 0.613 661 A CB -0.567 18.318 19.000 -0.192 0.000 0.829 661 A HN 0.525 nan 8.150 nan 0.000 0.442 662 K N -0.344 119.662 120.400 -0.657 0.000 2.015 662 K HA -0.213 4.107 4.320 -0.000 0.000 0.216 662 K C 2.026 178.242 176.600 -0.640 0.000 1.052 662 K CA 1.936 57.614 56.287 -1.015 0.000 0.937 662 K CB -0.480 31.588 32.500 -0.721 0.000 0.719 662 K HN 0.461 nan 8.250 nan 0.000 0.446 663 L N 0.601 121.495 121.223 -0.549 0.000 1.956 663 L HA -0.225 4.115 4.340 -0.000 0.000 0.216 663 L C 2.517 179.110 176.870 -0.461 0.000 1.073 663 L CA 1.656 56.187 54.840 -0.514 0.000 0.762 663 L CB -0.452 41.201 42.059 -0.677 0.000 0.889 663 L HN 0.188 nan 8.230 nan 0.000 0.433 664 V N -0.393 119.200 119.914 -0.534 0.000 2.594 664 V HA -0.251 3.869 4.120 -0.000 0.000 0.253 664 V C 2.447 178.383 176.094 -0.262 0.000 1.069 664 V CA 1.731 63.794 62.300 -0.396 0.000 1.082 664 V CB -0.078 31.460 31.823 -0.474 0.000 0.680 664 V HN 0.552 nan 8.190 nan 0.000 0.469 665 A N -0.855 121.787 122.820 -0.297 0.000 1.897 665 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 665 A C 2.280 179.776 177.584 -0.147 0.000 1.181 665 A CA 1.857 53.782 52.037 -0.187 0.000 0.620 665 A CB -0.502 18.376 19.000 -0.203 0.000 0.821 665 A HN 0.399 nan 8.150 nan 0.000 0.443 666 V N 0.057 119.851 119.914 -0.200 0.000 2.239 666 V HA -0.235 3.885 4.120 -0.000 0.000 0.242 666 V C 2.553 178.579 176.094 -0.113 0.000 1.038 666 V CA 2.115 64.333 62.300 -0.136 0.000 1.002 666 V CB -0.880 30.853 31.823 -0.151 0.000 0.641 666 V HN 0.683 nan 8.190 nan 0.000 0.449 667 R N 0.843 121.259 120.500 -0.140 0.000 2.159 667 R HA -0.299 4.041 4.340 -0.000 0.000 0.249 667 R C 2.477 178.707 176.300 -0.117 0.000 1.136 667 R CA 2.713 58.742 56.100 -0.118 0.000 0.951 667 R CB -0.510 29.703 30.300 -0.144 0.000 0.876 667 R HN 0.691 nan 8.270 nan 0.000 0.440 668 S N -0.413 115.220 115.700 -0.111 0.000 2.414 668 S HA -0.078 4.392 4.470 -0.000 0.000 0.227 668 S C 2.062 176.614 174.600 -0.080 0.000 1.022 668 S CA 0.621 58.759 58.200 -0.103 0.000 0.958 668 S CB -0.312 62.860 63.200 -0.048 0.000 0.797 668 S HN 0.403 nan 8.310 nan 0.000 0.493 669 R N 1.045 121.515 120.500 -0.051 0.000 2.082 669 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 669 R C 2.158 178.429 176.300 -0.048 0.000 1.136 669 R CA 2.037 58.120 56.100 -0.028 0.000 0.935 669 R CB -0.892 29.398 30.300 -0.018 0.000 0.842 669 R HN 0.387 nan 8.270 nan 0.000 0.430 670 V N 1.409 121.289 119.914 -0.057 0.000 2.392 670 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 670 V C 2.222 178.272 176.094 -0.075 0.000 1.059 670 V CA 1.418 63.688 62.300 -0.050 0.000 1.051 670 V CB -0.475 31.325 31.823 -0.038 0.000 0.658 670 V HN 0.341 nan 8.190 nan 0.000 0.455 671 L N -0.005 121.140 121.223 -0.130 0.000 2.456 671 L HA -0.034 4.306 4.340 -0.000 0.000 0.224 671 L C 2.313 179.053 176.870 -0.217 0.000 1.148 671 L CA 1.512 56.222 54.840 -0.217 0.000 0.825 671 L CB -0.923 40.913 42.059 -0.371 0.000 0.937 671 L HN 0.196 nan 8.230 nan 0.000 0.450 672 R N -0.920 119.501 120.500 -0.132 0.000 2.193 672 R HA -0.085 4.255 4.340 -0.000 0.000 0.229 672 R C 2.195 178.474 176.300 -0.035 0.000 1.110 672 R CA 0.838 56.894 56.100 -0.073 0.000 0.988 672 R CB -0.036 30.243 30.300 -0.035 0.000 0.871 672 R HN 0.321 nan 8.270 nan 0.000 0.458 673 R N -0.049 120.429 120.500 -0.036 0.000 2.193 673 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 673 R C 1.457 177.759 176.300 0.004 0.000 1.110 673 R CA 0.906 56.999 56.100 -0.011 0.000 0.988 673 R CB -0.051 30.243 30.300 -0.010 0.000 0.871 673 R HN 0.308 nan 8.270 nan 0.000 0.458 674 L N 0.118 121.342 121.223 0.002 0.000 2.611 674 L HA 0.187 4.527 4.340 -0.000 0.000 0.229 674 L C 1.078 178.001 176.870 0.088 0.000 1.137 674 L CA -0.493 54.375 54.840 0.045 0.000 0.901 674 L CB -0.088 42.008 42.059 0.061 0.000 1.098 674 L HN 0.048 nan 8.230 nan 0.000 0.456 675 G N 0.027 108.871 108.800 0.073 0.000 2.265 675 G HA2 0.272 4.232 3.960 -0.000 0.000 0.240 675 G HA3 0.272 4.232 3.960 -0.000 0.000 0.240 675 G C 1.155 176.096 174.900 0.067 0.000 1.270 675 G CA 0.439 45.595 45.100 0.094 0.000 0.901 675 G HN 0.456 nan 8.290 nan 0.000 0.507 676 G N 1.424 110.264 108.800 0.066 0.000 2.148 676 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.254 676 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.254 676 G C 0.744 175.664 174.900 0.034 0.000 0.981 676 G CA 0.738 45.862 45.100 0.040 0.000 0.670 676 G HN 0.802 nan 8.290 nan 0.000 0.528 677 Q N -0.648 119.179 119.800 0.045 0.000 2.155 677 Q HA 0.494 4.834 4.340 -0.000 0.000 0.220 677 Q C 1.103 177.122 176.000 0.032 0.000 0.819 677 Q CA 0.344 56.169 55.803 0.036 0.000 1.032 677 Q CB 1.299 30.061 28.738 0.041 0.000 1.151 677 Q HN 0.875 nan 8.270 nan 0.000 0.487 678 G N -0.741 108.074 108.800 0.025 0.000 2.450 678 G HA2 0.590 4.550 3.960 -0.000 0.000 0.273 678 G HA3 0.590 4.550 3.960 -0.000 0.000 0.273 678 G C -1.096 173.789 174.900 -0.024 0.000 1.221 678 G CA -0.063 45.040 45.100 0.004 0.000 0.900 678 G HN 0.208 nan 8.290 nan 0.000 0.483 682 S N 0.895 116.381 115.700 -0.356 0.000 2.548 682 S HA 0.813 5.283 4.470 -0.000 0.000 0.277 682 S C -0.534 173.771 174.600 -0.492 0.000 1.315 682 S CA -0.044 58.008 58.200 -0.246 0.000 1.050 682 S CB 0.132 63.250 63.200 -0.137 0.000 0.918 682 S HN 0.611 nan 8.310 nan 0.000 0.497 683 F N 0.274 120.217 119.950 -0.011 0.000 2.563 683 F HA 0.600 5.127 4.527 -0.000 0.000 0.316 683 F C 0.885 176.685 175.800 0.000 0.000 1.076 683 F CA -0.945 57.049 58.000 -0.010 0.000 0.921 683 F CB 1.972 40.950 39.000 -0.038 0.000 1.209 683 F HN 0.801 nan 8.300 nan 0.000 0.462 684 G N 3.309 112.235 108.800 0.210 0.000 2.915 684 G HA2 0.529 4.489 3.960 -0.000 0.000 0.298 684 G HA3 0.529 4.489 3.960 -0.000 0.000 0.298 684 G C -1.275 173.711 174.900 0.144 0.000 0.837 684 G CA -0.117 45.074 45.100 0.153 0.000 1.752 684 G HN 0.431 nan 8.290 nan 0.000 0.526 685 L N -0.671 120.608 121.223 0.093 0.000 2.940 685 L HA 0.850 5.190 4.340 -0.000 0.000 0.270 685 L C 0.261 177.151 176.870 0.032 0.000 1.030 685 L CA -1.387 53.478 54.840 0.043 0.000 0.928 685 L CB 0.359 42.390 42.059 -0.046 0.000 1.506 685 L HN 0.333 nan 8.230 nan 0.000 0.405 686 G N -0.887 107.926 108.800 0.020 0.000 2.580 686 G HA2 0.484 4.444 3.960 -0.000 0.000 0.278 686 G HA3 0.484 4.444 3.960 -0.000 0.000 0.278 686 G C 0.331 175.234 174.900 0.005 0.000 1.212 686 G CA 0.211 45.322 45.100 0.018 0.000 0.939 686 G HN 0.819 nan 8.290 nan 0.000 0.513 687 T N 0.091 114.649 114.554 0.008 0.000 2.833 687 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 687 T C 2.096 176.791 174.700 -0.008 0.000 1.054 687 T CA 1.880 63.980 62.100 0.001 0.000 1.135 687 T CB -0.040 68.831 68.868 0.005 0.000 0.869 687 T HN 0.541 nan 8.240 nan 0.000 0.466 688 E N 0.876 121.073 120.200 -0.007 0.000 2.086 688 E HA 0.006 4.356 4.350 -0.000 0.000 0.190 688 E C 2.594 179.182 176.600 -0.019 0.000 0.975 688 E CA 0.487 56.881 56.400 -0.009 0.000 0.813 688 E CB -0.215 29.482 29.700 -0.004 0.000 0.768 688 E HN 0.312 nan 8.360 nan 0.000 0.457 689 Q N 0.440 120.228 119.800 -0.020 0.000 2.062 689 Q HA -0.268 4.072 4.340 -0.000 0.000 0.209 689 Q C 2.243 178.199 176.000 -0.073 0.000 0.996 689 Q CA 1.921 57.701 55.803 -0.039 0.000 0.859 689 Q CB -0.548 28.169 28.738 -0.035 0.000 0.920 689 Q HN 0.325 nan 8.270 nan 0.000 0.415 690 A N 1.097 123.871 122.820 -0.077 0.000 1.835 690 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 690 A C 2.412 179.955 177.584 -0.068 0.000 1.199 690 A CA 2.350 54.323 52.037 -0.106 0.000 0.615 690 A CB -1.139 17.810 19.000 -0.086 0.000 0.838 690 A HN 0.427 nan 8.150 nan 0.000 0.444 691 A N 0.720 123.518 122.820 -0.038 0.000 1.944 691 A HA -0.354 3.966 4.320 -0.000 0.000 0.222 691 A C 1.906 179.479 177.584 -0.018 0.000 1.237 691 A CA 2.771 54.796 52.037 -0.019 0.000 0.668 691 A CB -0.950 18.043 19.000 -0.011 0.000 0.830 691 A HN 0.845 nan 8.150 nan 0.000 0.471 692 E N -0.728 119.456 120.200 -0.026 0.000 2.072 692 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 692 E C 2.095 178.676 176.600 -0.032 0.000 0.982 692 E CA 1.006 57.391 56.400 -0.025 0.000 0.803 692 E CB -0.374 29.312 29.700 -0.024 0.000 0.755 692 E HN 0.587 nan 8.360 nan 0.000 0.453 693 R N 0.118 120.592 120.500 -0.044 0.000 2.105 693 R HA -0.001 4.339 4.340 -0.000 0.000 0.239 693 R C 2.306 178.613 176.300 0.012 0.000 1.135 693 R CA 1.554 57.629 56.100 -0.042 0.000 0.967 693 R CB -0.323 29.924 30.300 -0.089 0.000 0.861 693 R HN 0.313 nan 8.270 nan 0.000 0.442 694 I N -0.493 120.095 120.570 0.031 0.000 3.228 694 I HA -0.012 4.158 4.170 -0.000 0.000 0.279 694 I C 1.868 178.094 176.117 0.181 0.000 1.221 694 I CA 0.386 61.769 61.300 0.139 0.000 1.458 694 I CB 0.162 38.178 38.000 0.027 0.000 1.105 694 I HN 0.198 nan 8.210 nan 0.000 0.445 695 G N 0.859 109.697 108.800 0.062 0.000 2.650 695 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.214 695 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.214 695 G C 1.702 176.599 174.900 -0.004 0.000 1.136 695 G CA 0.141 45.263 45.100 0.038 0.000 0.789 695 G HN 0.360 nan 8.290 nan 0.000 0.536 696 R N 0.013 120.460 120.500 -0.088 0.000 2.193 696 R HA 0.002 4.342 4.340 -0.000 0.000 0.229 696 R C 0.809 176.931 176.300 -0.296 0.000 1.110 696 R CA 0.752 56.711 56.100 -0.234 0.000 0.988 696 R CB -0.479 29.601 30.300 -0.367 0.000 0.871 696 R HN 0.351 nan 8.270 nan 0.000 0.458 697 F N 1.742 121.679 119.950 -0.021 0.000 2.663 697 F HA 0.364 4.891 4.527 -0.000 0.000 0.299 697 F C 0.973 176.768 175.800 -0.008 0.000 1.143 697 F CA -0.011 57.981 58.000 -0.013 0.000 1.387 697 F CB 0.100 39.091 39.000 -0.015 0.000 1.019 697 F HN 0.037 nan 8.300 nan 0.000 0.523 698 A N 1.124 124.012 122.820 0.113 0.000 1.600 698 A HA 0.102 4.422 4.320 -0.000 0.000 0.269 698 A C 1.671 179.305 177.584 0.082 0.000 1.116 698 A CA 1.240 53.323 52.037 0.076 0.000 1.028 698 A CB -1.510 17.513 19.000 0.039 0.000 1.026 698 A HN 1.182 nan 8.150 nan 0.000 0.277 699 G N -0.416 108.436 108.800 0.086 0.000 2.376 699 G HA2 0.093 4.053 3.960 -0.000 0.000 0.208 699 G HA3 0.093 4.053 3.960 -0.000 0.000 0.208 699 G C 1.430 176.363 174.900 0.055 0.000 1.032 699 G CA 0.986 46.123 45.100 0.062 0.000 0.641 699 G HN 2.081 nan 8.290 nan 0.000 0.503 700 A N 0.087 122.949 122.820 0.070 0.000 2.070 700 A HA 0.536 4.856 4.320 -0.000 0.000 0.220 700 A C 1.094 178.651 177.584 -0.045 0.000 1.159 700 A CA 1.521 53.569 52.037 0.018 0.000 0.656 700 A CB -0.195 18.821 19.000 0.028 0.000 0.800 700 A HN 0.886 nan 8.150 nan 0.000 0.453 701 L N -1.108 120.092 121.223 -0.039 0.000 2.370 701 L HA 0.557 4.897 4.340 -0.000 0.000 0.266 701 L C -0.580 176.288 176.870 -0.003 0.000 1.002 701 L CA -0.506 54.297 54.840 -0.062 0.000 0.818 701 L CB 2.422 44.383 42.059 -0.162 0.000 1.325 701 L HN -0.053 nan 8.230 nan 0.000 0.418 702 S N 1.353 117.057 115.700 0.007 0.000 2.570 702 S HA 0.624 5.094 4.470 -0.000 0.000 0.286 702 S C -0.490 174.126 174.600 0.028 0.000 1.099 702 S CA -0.579 57.636 58.200 0.025 0.000 0.913 702 S CB 2.050 65.274 63.200 0.040 0.000 1.085 702 S HN 0.369 nan 8.310 nan 0.000 0.480 703 I N 2.635 123.220 120.570 0.024 0.000 2.363 703 I HA 0.195 4.365 4.170 -0.000 0.000 0.292 703 I C 1.250 177.384 176.117 0.028 0.000 1.075 703 I CA -0.258 61.058 61.300 0.026 0.000 1.333 703 I CB 0.876 38.884 38.000 0.013 0.000 1.415 703 I HN 0.862 nan 8.210 nan 0.000 0.502 704 A N 5.016 127.861 122.820 0.040 0.000 1.930 704 A HA 0.045 4.365 4.320 -0.000 0.000 0.215 704 A C 0.907 178.422 177.584 -0.115 0.000 1.176 704 A CA 1.075 53.119 52.037 0.012 0.000 0.632 704 A CB -0.048 19.000 19.000 0.080 0.000 0.819 704 A HN 0.708 nan 8.150 nan 0.000 0.445 705 S N -1.774 113.902 115.700 -0.041 0.000 2.537 705 S HA 0.495 4.965 4.470 -0.000 0.000 0.271 705 S C -0.952 173.667 174.600 0.033 0.000 1.148 705 S CA -0.094 58.077 58.200 -0.048 0.000 0.868 705 S CB 1.309 64.502 63.200 -0.012 0.000 1.115 705 S HN 1.372 nan 8.310 nan 0.000 0.461 706 V N 1.011 120.949 119.914 0.041 0.000 2.350 706 V HA 0.635 4.755 4.120 -0.000 0.000 0.285 706 V C -0.397 175.783 176.094 0.143 0.000 1.014 706 V CA -0.535 61.809 62.300 0.073 0.000 0.831 706 V CB 0.867 32.713 31.823 0.039 0.000 1.000 706 V HN 0.922 nan 8.190 nan 0.000 0.433 707 N N 4.186 122.987 118.700 0.168 0.000 2.250 707 N HA 0.375 5.115 4.740 -0.000 0.000 0.190 707 N C 0.601 176.238 175.510 0.211 0.000 1.116 707 N CA 0.933 54.140 53.050 0.262 0.000 0.881 707 N CB 1.851 40.439 38.487 0.169 0.000 1.006 707 N HN 0.984 nan 8.380 nan 0.000 0.491 708 G N 0.475 109.343 108.800 0.113 0.000 2.441 708 G HA2 0.202 4.162 3.960 -0.000 0.000 0.294 708 G HA3 0.202 4.162 3.960 -0.000 0.000 0.294 708 G C -2.416 172.509 174.900 0.042 0.000 1.393 708 G CA -0.569 44.569 45.100 0.064 0.000 0.796 708 G HN -0.282 nan 8.290 nan 0.000 0.494 709 P HA -0.089 nan 4.420 nan 0.000 0.218 709 P C 1.178 178.496 177.300 0.030 0.000 1.149 709 P CA 1.090 64.203 63.100 0.021 0.000 0.817 709 P CB 0.381 32.088 31.700 0.012 0.000 0.785 710 R N -0.080 120.442 120.500 0.037 0.000 2.476 710 R HA 0.166 4.506 4.340 -0.000 0.000 0.276 710 R C -0.240 176.095 176.300 0.058 0.000 0.941 710 R CA 0.024 56.152 56.100 0.047 0.000 1.088 710 R CB 0.571 30.898 30.300 0.044 0.000 1.216 710 R HN 0.082 nan 8.270 nan 0.000 0.533 711 S N -0.149 115.586 115.700 0.057 0.000 2.552 711 S HA 0.635 5.105 4.470 -0.000 0.000 0.314 711 S C -0.692 173.954 174.600 0.077 0.000 1.099 711 S CA -0.710 57.528 58.200 0.064 0.000 1.070 711 S CB 2.222 65.450 63.200 0.046 0.000 0.998 711 S HN -0.048 nan 8.310 nan 0.000 0.474 712 V N 2.426 122.397 119.914 0.095 0.000 3.141 712 V HA 0.748 4.868 4.120 -0.000 0.000 0.312 712 V C -1.100 175.072 176.094 0.129 0.000 1.157 712 V CA -0.672 61.691 62.300 0.106 0.000 1.041 712 V CB 2.455 34.334 31.823 0.095 0.000 1.071 712 V HN 0.887 nan 8.190 nan 0.000 0.441 713 V N 2.551 122.539 119.914 0.122 0.000 2.588 713 V HA 0.607 4.727 4.120 -0.000 0.000 0.304 713 V C -0.595 175.591 176.094 0.152 0.000 1.042 713 V CA -0.565 61.815 62.300 0.132 0.000 0.877 713 V CB 1.921 33.791 31.823 0.078 0.000 0.996 713 V HN 0.550 nan 8.190 nan 0.000 0.425 714 V N 2.971 123.025 119.914 0.233 0.000 2.769 714 V HA 0.976 5.096 4.120 -0.000 0.000 0.312 714 V C 0.123 176.295 176.094 0.129 0.000 1.058 714 V CA -0.278 62.126 62.300 0.173 0.000 0.952 714 V CB 1.963 33.892 31.823 0.177 0.000 1.019 714 V HN 1.108 nan 8.190 nan 0.000 0.445 715 A N 2.046 124.910 122.820 0.073 0.000 2.549 715 A HA 1.024 5.344 4.320 -0.000 0.000 0.297 715 A C -0.154 177.439 177.584 0.016 0.000 1.061 715 A CA 0.146 52.210 52.037 0.045 0.000 0.690 715 A CB 2.025 21.065 19.000 0.066 0.000 1.287 715 A HN 1.643 nan 8.150 nan 0.000 0.402 716 G N 0.003 108.799 108.800 -0.006 0.000 2.399 716 G HA2 0.453 4.413 3.960 -0.000 0.000 0.256 716 G HA3 0.453 4.413 3.960 -0.000 0.000 0.256 716 G C -1.526 173.355 174.900 -0.033 0.000 1.236 716 G CA -0.658 44.427 45.100 -0.025 0.000 0.914 716 G HN 0.770 nan 8.290 nan 0.000 0.482 717 E N 1.217 121.386 120.200 -0.051 0.000 2.229 717 E HA 0.445 4.795 4.350 -0.000 0.000 0.283 717 E C 0.292 176.859 176.600 -0.055 0.000 1.030 717 E CA -0.107 56.270 56.400 -0.038 0.000 0.836 717 E CB 1.219 30.903 29.700 -0.026 0.000 1.068 717 E HN 0.595 nan 8.360 nan 0.000 0.401 718 S N 2.207 117.886 115.700 -0.034 0.000 2.549 718 S HA 0.445 4.915 4.470 -0.000 0.000 0.286 718 S C 1.032 175.615 174.600 -0.027 0.000 1.314 718 S CA -0.054 58.126 58.200 -0.033 0.000 1.062 718 S CB 1.132 64.320 63.200 -0.021 0.000 0.865 718 S HN 0.883 nan 8.310 nan 0.000 0.498 719 G N 3.380 112.163 108.800 -0.028 0.000 3.405 719 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.246 719 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.246 719 G C -1.860 173.014 174.900 -0.042 0.000 1.852 719 G CA -0.005 45.088 45.100 -0.012 0.000 1.510 719 G HN 0.610 nan 8.290 nan 0.000 0.570 720 P HA -0.061 nan 4.420 nan 0.000 0.218 720 P C 2.151 179.172 177.300 -0.465 0.000 1.154 720 P CA 1.702 64.589 63.100 -0.354 0.000 0.872 720 P CB -0.107 31.338 31.700 -0.424 0.000 0.790 721 L N -0.344 120.731 121.223 -0.248 0.000 2.056 721 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 721 L C 1.770 178.632 176.870 -0.014 0.000 1.078 721 L CA 1.982 56.749 54.840 -0.122 0.000 0.749 721 L CB -1.204 40.826 42.059 -0.048 0.000 0.901 721 L HN -0.142 nan 8.230 nan 0.000 0.433 722 D N -0.408 119.986 120.400 -0.011 0.000 2.178 722 D HA -0.190 4.450 4.640 -0.000 0.000 0.201 722 D C 1.974 178.308 176.300 0.058 0.000 0.980 722 D CA 1.209 55.227 54.000 0.029 0.000 0.842 722 D CB 0.142 40.953 40.800 0.019 0.000 0.948 722 D HN 0.556 nan 8.370 nan 0.000 0.472 723 E N 0.431 120.665 120.200 0.056 0.000 2.047 723 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 723 E C 2.413 179.092 176.600 0.131 0.000 0.987 723 E CA 0.253 56.722 56.400 0.116 0.000 0.799 723 E CB -0.025 29.802 29.700 0.211 0.000 0.752 723 E HN 0.222 nan 8.360 nan 0.000 0.449 724 L N 0.889 122.169 121.223 0.094 0.000 2.012 724 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 724 L C 2.466 179.459 176.870 0.205 0.000 1.073 724 L CA 1.177 56.057 54.840 0.065 0.000 0.748 724 L CB -0.333 41.642 42.059 -0.140 0.000 0.891 724 L HN 0.220 nan 8.230 nan 0.000 0.431 725 I N -0.554 120.186 120.570 0.284 0.000 2.264 725 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 725 I C 2.710 178.931 176.117 0.173 0.000 1.111 725 I CA 1.170 62.636 61.300 0.276 0.000 1.382 725 I CB -0.444 37.633 38.000 0.127 0.000 1.060 725 I HN 0.242 nan 8.210 nan 0.000 0.418 726 A N 0.259 123.155 122.820 0.128 0.000 1.832 726 A HA -0.241 4.079 4.320 -0.000 0.000 0.214 726 A C 2.274 179.923 177.584 0.108 0.000 1.200 726 A CA 1.528 53.624 52.037 0.098 0.000 0.610 726 A CB -0.753 18.294 19.000 0.079 0.000 0.842 726 A HN 0.416 nan 8.150 nan 0.000 0.444 727 E N -1.023 119.245 120.200 0.113 0.000 2.448 727 E HA -0.191 4.159 4.350 -0.000 0.000 0.203 727 E C 1.254 177.939 176.600 0.141 0.000 1.046 727 E CA 1.147 57.612 56.400 0.107 0.000 0.871 727 E CB -0.231 29.528 29.700 0.098 0.000 0.790 727 E HN 0.658 nan 8.360 nan 0.000 0.545 728 C N -0.959 118.449 119.300 0.180 0.000 2.937 728 C HA 0.162 4.622 4.460 -0.000 0.000 0.426 728 C C 2.023 177.147 174.990 0.223 0.000 1.321 728 C CA -0.314 58.868 59.018 0.274 0.000 2.082 728 C CB -0.155 27.771 27.740 0.311 0.000 2.834 728 C HN 0.395 nan 8.230 nan 0.000 0.593 729 E N 1.801 122.095 120.200 0.158 0.000 2.268 729 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 729 E C 1.900 178.542 176.600 0.070 0.000 0.995 729 E CA 1.046 57.503 56.400 0.096 0.000 0.836 729 E CB -0.053 29.690 29.700 0.071 0.000 0.763 729 E HN 0.638 nan 8.360 nan 0.000 0.491 730 A N 0.595 123.465 122.820 0.082 0.000 2.238 730 A HA -0.039 4.281 4.320 -0.000 0.000 0.208 730 A C 0.759 178.371 177.584 0.048 0.000 1.177 730 A CA 0.492 52.564 52.037 0.058 0.000 0.804 730 A CB 0.069 19.106 19.000 0.060 0.000 0.823 730 A HN 0.135 nan 8.150 nan 0.000 0.482 731 E N -1.863 118.366 120.200 0.048 0.000 2.948 731 E HA 0.409 4.759 4.350 -0.000 0.000 0.186 731 E C 0.315 176.816 176.600 -0.165 0.000 0.951 731 E CA 0.237 56.621 56.400 -0.026 0.000 1.308 731 E CB 0.468 30.188 29.700 0.034 0.000 1.037 731 E HN 0.710 nan 8.360 nan 0.000 0.469 732 A N 1.249 124.019 122.820 -0.083 0.000 2.899 732 A HA -0.212 4.108 4.320 -0.000 0.000 0.257 732 A C -0.081 177.445 177.584 -0.097 0.000 1.335 732 A CA 0.977 52.960 52.037 -0.090 0.000 0.924 732 A CB -1.988 16.951 19.000 -0.101 0.000 1.105 732 A HN 0.531 nan 8.150 nan 0.000 0.765 733 H N 0.629 119.734 119.070 0.058 0.000 2.690 733 H HA 0.311 4.867 4.556 -0.000 0.000 0.314 733 H C 0.640 176.018 175.328 0.084 0.000 1.069 733 H CA 0.225 56.321 56.048 0.080 0.000 1.436 733 H CB 0.659 30.492 29.762 0.118 0.000 1.462 733 H HN 0.436 nan 8.280 nan 0.000 0.511 734 K N 1.704 122.221 120.400 0.193 0.000 2.530 734 K HA 0.271 4.591 4.320 -0.000 0.000 0.280 734 K C -0.120 176.540 176.600 0.101 0.000 1.004 734 K CA 0.262 56.611 56.287 0.105 0.000 1.071 734 K CB 0.465 33.007 32.500 0.070 0.000 0.876 734 K HN 0.695 nan 8.250 nan 0.000 0.487 735 A N 3.723 126.526 122.820 -0.027 0.000 2.771 735 A HA 0.240 4.560 4.320 -0.000 0.000 0.301 735 A C -1.048 176.354 177.584 -0.303 0.000 1.194 735 A CA -0.927 50.967 52.037 -0.239 0.000 0.837 735 A CB 0.540 19.556 19.000 0.027 0.000 1.438 735 A HN 0.437 nan 8.150 nan 0.000 0.436 736 R N 1.859 122.149 120.500 -0.351 0.000 2.294 736 R HA 0.384 4.724 4.340 -0.000 0.000 0.319 736 R C -0.250 175.885 176.300 -0.274 0.000 0.984 736 R CA -0.734 55.224 56.100 -0.238 0.000 0.861 736 R CB 1.222 31.426 30.300 -0.162 0.000 1.104 736 R HN 0.621 nan 8.270 nan 0.000 0.451 737 R N 2.763 123.148 120.500 -0.192 0.000 2.538 737 R HA 0.085 4.425 4.340 -0.000 0.000 0.282 737 R C 0.378 176.598 176.300 -0.134 0.000 1.009 737 R CA 0.386 56.395 56.100 -0.152 0.000 1.063 737 R CB 0.191 30.431 30.300 -0.101 0.000 0.945 737 R HN 0.509 nan 8.270 nan 0.000 0.414 738 I N 5.956 126.445 120.570 -0.134 0.000 2.396 738 I HA 0.158 4.328 4.170 -0.000 0.000 0.292 738 I C -1.515 174.536 176.117 -0.111 0.000 0.999 738 I CA -2.102 59.128 61.300 -0.116 0.000 1.310 738 I CB 1.401 39.330 38.000 -0.120 0.000 1.404 738 I HN 0.271 nan 8.210 nan 0.000 0.496 739 P HA 0.227 nan 4.420 nan 0.000 0.260 739 P C -0.771 176.476 177.300 -0.088 0.000 1.651 739 P CA 0.032 63.088 63.100 -0.073 0.000 1.139 739 P CB 0.521 32.192 31.700 -0.048 0.000 1.756 740 V N 2.965 122.801 119.914 -0.129 0.000 2.789 740 V HA 0.063 4.183 4.120 -0.000 0.000 0.300 740 V C 0.793 176.759 176.094 -0.212 0.000 1.184 740 V CA -0.349 61.813 62.300 -0.231 0.000 0.930 740 V CB 2.344 33.909 31.823 -0.430 0.000 1.041 740 V HN 0.311 nan 8.190 nan 0.000 0.430 741 D N 2.330 122.669 120.400 -0.101 0.000 2.183 741 D HA -0.032 4.608 4.640 -0.000 0.000 0.203 741 D C 0.148 176.468 176.300 0.033 0.000 0.969 741 D CA 1.703 55.716 54.000 0.022 0.000 0.842 741 D CB 0.344 41.240 40.800 0.160 0.000 0.957 741 D HN 0.643 nan 8.370 nan 0.000 0.484 742 Y N -0.945 119.356 120.300 0.001 0.000 2.654 742 Y HA 0.653 5.203 4.550 -0.000 0.000 0.327 742 Y C -0.619 175.284 175.900 0.005 0.000 1.122 742 Y CA -1.716 56.384 58.100 0.000 0.000 1.227 742 Y CB 1.045 39.503 38.460 -0.004 0.000 1.370 742 Y HN -0.223 nan 8.280 nan 0.000 0.528 743 A N 1.377 124.308 122.820 0.185 0.000 2.545 743 A HA 0.614 4.934 4.320 -0.000 0.000 0.300 743 A C -0.915 176.758 177.584 0.147 0.000 1.252 743 A CA -0.652 51.444 52.037 0.098 0.000 0.753 743 A CB -0.184 18.847 19.000 0.051 0.000 1.144 743 A HN 0.694 nan 8.150 nan 0.000 0.457 744 S N 1.245 117.057 115.700 0.186 0.000 2.655 744 S HA 0.431 4.901 4.470 -0.000 0.000 0.265 744 S C 0.392 175.002 174.600 0.018 0.000 1.240 744 S CA -0.377 57.833 58.200 0.016 0.000 0.986 744 S CB 0.009 63.163 63.200 -0.078 0.000 0.985 744 S HN 0.774 nan 8.310 nan 0.000 0.562 745 H N -0.726 118.356 119.070 0.021 0.000 2.713 745 H HA -0.134 4.422 4.556 -0.000 0.000 0.311 745 H C 0.173 175.499 175.328 -0.002 0.000 1.175 745 H CA 0.949 56.990 56.048 -0.012 0.000 1.143 745 H CB -2.172 27.592 29.762 0.002 0.000 1.434 745 H HN 0.661 nan 8.280 nan 0.000 0.418 746 S N -1.853 113.876 115.700 0.048 0.000 2.638 746 S HA 0.523 4.993 4.470 -0.000 0.000 0.274 746 S C -2.279 172.338 174.600 0.028 0.000 1.157 746 S CA -1.126 57.100 58.200 0.044 0.000 0.826 746 S CB 3.207 66.436 63.200 0.048 0.000 1.139 746 S HN -0.185 nan 8.310 nan 0.000 0.474 747 P HA -0.098 nan 4.420 nan 0.000 0.217 747 P C 1.335 178.663 177.300 0.046 0.000 1.148 747 P CA 1.327 64.453 63.100 0.043 0.000 0.828 747 P CB -0.073 31.651 31.700 0.041 0.000 0.783 748 Q N -0.776 119.048 119.800 0.039 0.000 2.290 748 Q HA -0.159 4.181 4.340 -0.000 0.000 0.211 748 Q C 1.769 177.796 176.000 0.045 0.000 0.991 748 Q CA 1.214 57.042 55.803 0.041 0.000 0.893 748 Q CB -0.577 28.187 28.738 0.042 0.000 0.913 748 Q HN 0.167 nan 8.270 nan 0.000 0.428 749 V N -0.031 119.907 119.914 0.041 0.000 2.871 749 V HA -0.168 3.952 4.120 -0.000 0.000 0.256 749 V C 1.734 177.924 176.094 0.160 0.000 1.082 749 V CA 1.379 63.711 62.300 0.052 0.000 1.105 749 V CB -0.295 31.498 31.823 -0.050 0.000 0.713 749 V HN 0.277 nan 8.190 nan 0.000 0.473 750 E N 0.529 120.823 120.200 0.157 0.000 2.267 750 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 750 E C 2.306 178.963 176.600 0.094 0.000 0.998 750 E CA 1.317 57.818 56.400 0.170 0.000 0.830 750 E CB -0.175 29.588 29.700 0.106 0.000 0.751 750 E HN 0.554 nan 8.360 nan 0.000 0.491 751 S N -0.303 115.442 115.700 0.074 0.000 2.423 751 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 751 S C 1.565 176.192 174.600 0.045 0.000 1.014 751 S CA 0.669 58.896 58.200 0.045 0.000 0.965 751 S CB -0.044 63.178 63.200 0.036 0.000 0.785 751 S HN 0.294 nan 8.310 nan 0.000 0.495 752 L N 0.673 121.946 121.223 0.083 0.000 2.558 752 L HA 0.175 4.515 4.340 -0.000 0.000 0.225 752 L C 2.456 179.379 176.870 0.087 0.000 1.128 752 L CA 0.178 55.067 54.840 0.082 0.000 0.868 752 L CB -0.389 41.727 42.059 0.095 0.000 1.006 752 L HN 0.206 nan 8.230 nan 0.000 0.454 753 R N 1.198 121.729 120.500 0.051 0.000 2.080 753 R HA -0.251 4.089 4.340 -0.000 0.000 0.236 753 R C 2.155 178.356 176.300 -0.165 0.000 1.137 753 R CA 2.221 58.199 56.100 -0.204 0.000 0.943 753 R CB -0.117 29.916 30.300 -0.444 0.000 0.846 753 R HN 0.391 nan 8.270 nan 0.000 0.431 754 E N 0.167 120.306 120.200 -0.102 0.000 2.085 754 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 754 E C 1.858 178.433 176.600 -0.041 0.000 0.994 754 E CA 1.676 58.032 56.400 -0.073 0.000 0.801 754 E CB -0.026 29.645 29.700 -0.049 0.000 0.743 754 E HN 0.427 nan 8.360 nan 0.000 0.453 755 E N -0.023 120.165 120.200 -0.020 0.000 2.150 755 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 755 E C 2.175 178.776 176.600 0.000 0.000 0.985 755 E CA 0.691 57.086 56.400 -0.008 0.000 0.814 755 E CB 0.041 29.739 29.700 -0.003 0.000 0.752 755 E HN 0.298 nan 8.360 nan 0.000 0.466 756 L N 0.296 121.530 121.223 0.019 0.000 2.023 756 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 756 L C 2.508 179.398 176.870 0.034 0.000 1.073 756 L CA 0.842 55.709 54.840 0.045 0.000 0.745 756 L CB -0.340 41.797 42.059 0.131 0.000 0.900 756 L HN 0.231 nan 8.230 nan 0.000 0.435 757 L N -0.813 120.413 121.223 0.005 0.000 2.079 757 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 757 L C 2.591 179.460 176.870 -0.002 0.000 1.081 757 L CA 1.462 56.298 54.840 -0.005 0.000 0.752 757 L CB -0.914 41.107 42.059 -0.064 0.000 0.896 757 L HN 0.341 nan 8.230 nan 0.000 0.433 758 T N -0.198 114.349 114.554 -0.011 0.000 2.569 758 T HA -0.229 4.121 4.350 -0.000 0.000 0.263 758 T C 1.309 176.008 174.700 -0.001 0.000 1.074 758 T CA 1.858 63.953 62.100 -0.008 0.000 1.176 758 T CB -0.223 68.638 68.868 -0.011 0.000 0.863 758 T HN 0.561 nan 8.240 nan 0.000 0.410 759 E N 0.824 121.023 120.200 -0.003 0.000 2.496 759 E HA 0.221 4.571 4.350 -0.000 0.000 0.202 759 E C 1.146 177.737 176.600 -0.015 0.000 1.021 759 E CA -0.062 56.334 56.400 -0.006 0.000 1.015 759 E CB -0.155 29.541 29.700 -0.008 0.000 1.102 759 E HN 0.422 nan 8.360 nan 0.000 0.452 760 L N 0.501 121.722 121.223 -0.004 0.000 2.556 760 L HA 0.335 4.675 4.340 -0.000 0.000 0.226 760 L C 1.179 178.059 176.870 0.016 0.000 1.089 760 L CA -0.137 54.698 54.840 -0.009 0.000 0.864 760 L CB 0.310 42.380 42.059 0.018 0.000 1.067 760 L HN 0.153 nan 8.230 nan 0.000 0.477 761 A N 0.271 123.105 122.820 0.024 0.000 2.540 761 A HA 0.362 4.682 4.320 -0.000 0.000 0.239 761 A C 1.316 178.911 177.584 0.018 0.000 1.061 761 A CA 0.976 53.030 52.037 0.028 0.000 0.758 761 A CB -0.224 18.788 19.000 0.020 0.000 0.991 761 A HN 0.578 nan 8.150 nan 0.000 0.502 762 G N 0.942 109.755 108.800 0.022 0.000 2.184 762 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.206 762 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.206 762 G C 0.056 174.966 174.900 0.016 0.000 0.995 762 G CA 0.083 45.192 45.100 0.016 0.000 0.651 762 G HN 0.941 nan 8.290 nan 0.000 0.511 763 I N 2.071 122.658 120.570 0.029 0.000 2.474 763 I HA 0.581 4.751 4.170 -0.000 0.000 0.287 763 I C 0.770 176.918 176.117 0.052 0.000 1.048 763 I CA 0.122 61.442 61.300 0.033 0.000 1.383 763 I CB 1.706 39.741 38.000 0.057 0.000 1.412 763 I HN 0.169 nan 8.210 nan 0.000 0.531 764 S N 8.676 124.402 115.700 0.043 0.000 2.426 764 S HA 0.554 5.024 4.470 -0.000 0.000 0.236 764 S C -2.504 172.128 174.600 0.053 0.000 1.368 764 S CA -1.340 56.886 58.200 0.042 0.000 1.154 764 S CB 0.076 63.292 63.200 0.027 0.000 1.037 764 S HN 0.424 nan 8.310 nan 0.000 0.481 765 P HA 0.445 nan 4.420 nan 0.000 0.282 765 P C -0.863 176.451 177.300 0.024 0.000 1.249 765 P CA -0.503 62.632 63.100 0.060 0.000 0.806 765 P CB 1.375 33.108 31.700 0.057 0.000 0.984 766 V N 1.099 121.023 119.914 0.016 0.000 2.914 766 V HA 0.244 4.363 4.120 -0.000 0.000 0.314 766 V C 0.445 176.532 176.094 -0.012 0.000 1.084 766 V CA -0.739 61.563 62.300 0.003 0.000 0.963 766 V CB 2.020 33.849 31.823 0.009 0.000 1.025 766 V HN 0.537 nan 8.190 nan 0.000 0.432 767 S N 2.561 118.250 115.700 -0.019 0.000 2.544 767 S HA 0.431 4.901 4.470 -0.000 0.000 0.290 767 S C 0.304 174.893 174.600 -0.018 0.000 1.276 767 S CA 0.070 58.254 58.200 -0.026 0.000 1.075 767 S CB 0.544 63.729 63.200 -0.025 0.000 0.849 767 S HN 1.027 nan 8.310 nan 0.000 0.494 768 A N 2.828 125.635 122.820 -0.021 0.000 2.295 768 A HA 0.379 4.699 4.320 -0.000 0.000 0.318 768 A C 1.050 178.631 177.584 -0.006 0.000 1.134 768 A CA -0.653 51.377 52.037 -0.011 0.000 0.827 768 A CB 0.403 19.398 19.000 -0.008 0.000 1.136 768 A HN 0.813 nan 8.150 nan 0.000 0.493 769 D N 0.201 120.601 120.400 0.001 0.000 2.085 769 D HA -0.052 4.588 4.640 -0.000 0.000 0.199 769 D C 0.767 177.079 176.300 0.021 0.000 0.981 769 D CA 1.424 55.429 54.000 0.009 0.000 0.834 769 D CB 0.045 40.851 40.800 0.011 0.000 0.992 769 D HN 0.307 nan 8.370 nan 0.000 0.457 770 V N 1.355 121.286 119.914 0.029 0.000 2.811 770 V HA 0.281 4.401 4.120 -0.000 0.000 0.302 770 V C 0.664 176.785 176.094 0.044 0.000 1.063 770 V CA -0.625 61.706 62.300 0.053 0.000 1.088 770 V CB 1.183 33.044 31.823 0.064 0.000 0.982 770 V HN 0.187 nan 8.190 nan 0.000 0.485 771 A N 4.889 127.749 122.820 0.067 0.000 2.407 771 A HA 0.571 4.891 4.320 -0.000 0.000 0.248 771 A C -0.502 177.104 177.584 0.037 0.000 1.082 771 A CA -0.121 51.931 52.037 0.024 0.000 0.785 771 A CB 0.333 19.373 19.000 0.067 0.000 1.020 771 A HN 0.675 nan 8.150 nan 0.000 0.489 772 L N 2.788 123.980 121.223 -0.051 0.000 2.376 772 L HA 0.471 4.811 4.340 -0.000 0.000 0.275 772 L C -1.818 175.012 176.870 -0.067 0.000 0.987 772 L CA -0.452 54.401 54.840 0.022 0.000 0.828 772 L CB 1.032 43.093 42.059 0.003 0.000 1.249 772 L HN 0.681 nan 8.230 nan 0.000 0.409 773 Y N 3.051 123.350 120.300 -0.001 0.000 2.676 773 Y HA 0.228 4.778 4.550 -0.000 0.000 0.338 773 Y C 1.169 177.085 175.900 0.027 0.000 1.057 773 Y CA 0.042 58.137 58.100 -0.009 0.000 1.314 773 Y CB 1.062 39.492 38.460 -0.050 0.000 1.164 773 Y HN 0.674 nan 8.280 nan 0.000 0.509 774 S N 1.454 117.218 115.700 0.106 0.000 2.575 774 S HA -0.055 4.415 4.470 -0.000 0.000 0.295 774 S C 1.333 176.003 174.600 0.117 0.000 1.267 774 S CA 0.336 58.615 58.200 0.131 0.000 1.074 774 S CB 0.250 63.529 63.200 0.133 0.000 0.829 774 S HN 0.815 nan 8.310 nan 0.000 0.497 775 T N 2.156 116.781 114.554 0.118 0.000 3.129 775 T HA 0.038 4.388 4.350 -0.000 0.000 0.251 775 T C 1.532 176.231 174.700 -0.001 0.000 1.117 775 T CA 0.685 62.821 62.100 0.059 0.000 1.034 775 T CB -0.198 68.713 68.868 0.071 0.000 0.968 775 T HN 0.590 nan 8.240 nan 0.000 0.526 776 T N 2.194 116.741 114.554 -0.012 0.000 2.781 776 T HA -0.034 4.316 4.350 -0.000 0.000 0.252 776 T C 2.238 176.897 174.700 -0.068 0.000 1.039 776 T CA 1.488 63.514 62.100 -0.123 0.000 1.147 776 T CB -0.767 67.856 68.868 -0.409 0.000 0.865 776 T HN 0.423 nan 8.240 nan 0.000 0.423 777 T N 0.258 114.812 114.554 0.000 0.000 2.643 777 T HA 0.163 4.513 4.350 -0.000 0.000 0.264 777 T C 1.924 176.630 174.700 0.010 0.000 1.045 777 T CA 1.706 63.817 62.100 0.018 0.000 1.155 777 T CB -0.677 68.222 68.868 0.051 0.000 0.863 777 T HN 0.628 nan 8.240 nan 0.000 0.420 778 G N 0.054 108.867 108.800 0.022 0.000 2.491 778 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.203 778 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.203 778 G C 0.098 175.025 174.900 0.044 0.000 1.052 778 G CA -0.341 44.773 45.100 0.023 0.000 0.675 778 G HN 0.433 nan 8.290 nan 0.000 0.504 779 Q N 1.583 121.403 119.800 0.034 0.000 2.185 779 Q HA 0.559 4.899 4.340 -0.000 0.000 0.225 779 Q C -2.389 173.602 176.000 -0.015 0.000 0.983 779 Q CA -1.722 54.096 55.803 0.024 0.000 0.950 779 Q CB 1.138 29.873 28.738 -0.005 0.000 1.176 779 Q HN 0.358 nan 8.270 nan 0.000 0.510 780 P HA 0.334 nan 4.420 nan 0.000 0.274 780 P C -0.441 176.725 177.300 -0.223 0.000 1.246 780 P CA -0.160 62.704 63.100 -0.393 0.000 0.795 780 P CB 0.615 31.757 31.700 -0.930 0.000 1.006 781 I N -3.728 116.715 120.570 -0.213 0.000 3.095 781 I HA 0.526 4.696 4.170 -0.000 0.000 0.310 781 I C -0.881 175.152 176.117 -0.141 0.000 1.196 781 I CA -1.380 59.832 61.300 -0.147 0.000 0.985 781 I CB 2.091 40.012 38.000 -0.132 0.000 1.250 781 I HN 0.010 nan 8.210 nan 0.000 0.446 782 D N 2.457 122.788 120.400 -0.115 0.000 2.346 782 D HA 0.127 4.767 4.640 -0.000 0.000 0.260 782 D C 1.298 177.518 176.300 -0.133 0.000 1.252 782 D CA 0.314 54.253 54.000 -0.101 0.000 0.895 782 D CB 1.401 42.155 40.800 -0.077 0.000 1.097 782 D HN 0.748 nan 8.370 nan 0.000 0.489 783 T N 1.363 115.842 114.554 -0.124 0.000 2.995 783 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 783 T C 1.919 176.531 174.700 -0.147 0.000 1.091 783 T CA 0.684 62.690 62.100 -0.157 0.000 1.128 783 T CB -0.228 68.581 68.868 -0.098 0.000 0.891 783 T HN 0.334 nan 8.240 nan 0.000 0.492 784 A N 1.714 124.477 122.820 -0.096 0.000 2.093 784 A HA -0.007 4.313 4.320 -0.000 0.000 0.222 784 A C 1.703 179.227 177.584 -0.100 0.000 1.162 784 A CA 1.503 53.496 52.037 -0.072 0.000 0.655 784 A CB -1.450 17.522 19.000 -0.048 0.000 0.805 784 A HN 0.611 nan 8.150 nan 0.000 0.461 788 T N -2.066 112.637 114.554 0.247 0.000 2.622 788 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 788 T C 2.130 176.984 174.700 0.257 0.000 1.047 788 T CA 2.642 64.904 62.100 0.271 0.000 1.159 788 T CB -1.201 67.759 68.868 0.153 0.000 0.863 788 T HN 0.803 nan 8.240 nan 0.000 0.422 789 A N 0.595 123.517 122.820 0.170 0.000 1.986 789 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 789 A C 2.192 179.872 177.584 0.160 0.000 1.171 789 A CA 1.976 54.104 52.037 0.151 0.000 0.640 789 A CB -1.328 17.727 19.000 0.091 0.000 0.811 789 A HN 0.731 nan 8.150 nan 0.000 0.451 790 Y N -1.447 118.843 120.300 -0.017 0.000 2.163 790 Y HA -0.213 4.337 4.550 -0.000 0.000 0.288 790 Y C 2.089 177.895 175.900 -0.157 0.000 1.136 790 Y CA 1.884 59.881 58.100 -0.172 0.000 1.147 790 Y CB -0.450 37.771 38.460 -0.398 0.000 0.987 790 Y HN 0.436 nan 8.280 nan 0.000 0.509 791 W N -1.380 120.044 121.300 0.207 0.000 2.467 791 W HA -0.165 4.495 4.660 0.000 0.000 0.275 791 W C 2.247 178.775 176.519 0.014 0.000 1.239 791 W CA 1.079 58.486 57.345 0.104 0.000 1.266 791 W CB -0.675 28.872 29.460 0.145 0.000 1.112 791 W HN 0.194 nan 8.180 nan 0.000 0.576 792 Y N 1.449 121.843 120.300 0.156 0.000 2.097 792 Y HA -0.277 4.273 4.550 -0.000 0.000 0.282 792 Y C 2.389 178.279 175.900 -0.017 0.000 1.152 792 Y CA 2.306 60.440 58.100 0.056 0.000 1.136 792 Y CB -0.987 37.494 38.460 0.035 0.000 0.975 792 Y HN -0.098 nan 8.280 nan 0.000 0.498 793 A N 0.818 123.565 122.820 -0.121 0.000 1.917 793 A HA -0.330 3.990 4.320 -0.000 0.000 0.219 793 A C 2.295 179.695 177.584 -0.306 0.000 1.182 793 A CA 2.025 53.907 52.037 -0.258 0.000 0.633 793 A CB -1.260 17.601 19.000 -0.232 0.000 0.819 793 A HN 0.712 nan 8.150 nan 0.000 0.448 794 N N -0.084 118.423 118.700 -0.322 0.000 2.192 794 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 794 N C 1.628 177.130 175.510 -0.013 0.000 1.013 794 N CA 1.644 54.606 53.050 -0.147 0.000 0.863 794 N CB -0.238 38.273 38.487 0.041 0.000 0.990 794 N HN 0.589 nan 8.380 nan 0.000 0.430 795 L N -0.009 121.111 121.223 -0.172 0.000 2.168 795 L HA 0.007 4.347 4.340 -0.000 0.000 0.203 795 L C 2.568 179.170 176.870 -0.446 0.000 1.078 795 L CA 0.471 55.116 54.840 -0.326 0.000 0.780 795 L CB -0.128 41.757 42.059 -0.289 0.000 0.939 795 L HN 0.088 nan 8.230 nan 0.000 0.451 796 R N 0.392 120.617 120.500 -0.459 0.000 2.093 796 R HA -0.011 4.329 4.340 -0.000 0.000 0.224 796 R C 0.635 176.875 176.300 -0.100 0.000 1.101 796 R CA 0.703 56.592 56.100 -0.351 0.000 0.979 796 R CB 0.013 29.971 30.300 -0.570 0.000 0.877 796 R HN 0.159 nan 8.270 nan 0.000 0.441 797 E N 1.302 121.469 120.200 -0.056 0.000 2.349 797 E HA 0.005 4.354 4.350 -0.000 0.000 0.262 797 E C -0.679 175.971 176.600 0.083 0.000 1.088 797 E CA -0.331 56.072 56.400 0.005 0.000 0.899 797 E CB 0.563 30.228 29.700 -0.057 0.000 1.044 797 E HN 0.327 nan 8.360 nan 0.000 0.420 798 Q N 0.723 120.528 119.800 0.008 0.000 2.395 798 Q HA 0.025 4.365 4.340 -0.000 0.000 0.271 798 Q C 0.532 176.458 176.000 -0.123 0.000 1.026 798 Q CA -0.207 55.562 55.803 -0.056 0.000 0.900 798 Q CB 0.912 29.630 28.738 -0.032 0.000 1.266 798 Q HN 0.310 nan 8.270 nan 0.000 0.430 799 V N 3.093 122.870 119.914 -0.229 0.000 2.331 799 V HA -0.088 4.032 4.120 -0.000 0.000 0.242 799 V C 0.378 176.388 176.094 -0.141 0.000 1.034 799 V CA 1.379 63.516 62.300 -0.272 0.000 1.027 799 V CB -0.632 30.866 31.823 -0.540 0.000 0.667 799 V HN 1.058 nan 8.190 nan 0.000 0.457 800 R N -1.864 118.587 120.500 -0.082 0.000 3.407 800 R HA -0.220 4.120 4.340 -0.000 0.000 0.277 800 R C 0.697 177.013 176.300 0.026 0.000 1.119 800 R CA 0.652 56.743 56.100 -0.016 0.000 0.750 800 R CB -2.703 27.583 30.300 -0.024 0.000 1.258 800 R HN 0.442 nan 8.270 nan 0.000 0.432 801 F N 1.194 121.091 119.950 -0.088 0.000 2.234 801 F HA -0.142 4.385 4.527 0.000 0.000 0.299 801 F C 2.544 178.334 175.800 -0.017 0.000 1.087 801 F CA 2.037 60.020 58.000 -0.028 0.000 1.340 801 F CB 0.027 39.069 39.000 0.070 0.000 1.031 801 F HN 0.333 nan 8.300 nan 0.000 0.500 802 Q N 0.197 120.003 119.800 0.010 0.000 2.050 802 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 802 Q C 1.827 177.739 176.000 -0.146 0.000 0.980 802 Q CA 2.016 57.771 55.803 -0.080 0.000 0.840 802 Q CB -0.245 28.492 28.738 -0.001 0.000 0.898 802 Q HN 0.348 nan 8.270 nan 0.000 0.424 803 D N 0.105 120.450 120.400 -0.091 0.000 2.116 803 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 803 D C 1.678 177.914 176.300 -0.107 0.000 0.998 803 D CA 1.604 55.561 54.000 -0.072 0.000 0.836 803 D CB -0.266 40.515 40.800 -0.032 0.000 0.951 803 D HN 0.407 nan 8.370 nan 0.000 0.449 804 A N 0.308 123.029 122.820 -0.165 0.000 1.898 804 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 804 A C 2.390 179.771 177.584 -0.340 0.000 1.181 804 A CA 2.063 53.987 52.037 -0.188 0.000 0.620 804 A CB -0.865 18.031 19.000 -0.172 0.000 0.819 804 A HN 0.218 nan 8.150 nan 0.000 0.442 805 T N -0.554 113.699 114.554 -0.502 0.000 2.684 805 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 805 T C 2.089 176.630 174.700 -0.265 0.000 1.036 805 T CA 1.516 63.325 62.100 -0.485 0.000 1.148 805 T CB -0.268 68.257 68.868 -0.571 0.000 0.863 805 T HN 0.468 nan 8.240 nan 0.000 0.436 806 R N 0.745 121.129 120.500 -0.193 0.000 2.081 806 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 806 R C 2.554 178.817 176.300 -0.062 0.000 1.131 806 R CA 1.525 57.566 56.100 -0.099 0.000 0.960 806 R CB -0.207 30.052 30.300 -0.068 0.000 0.856 806 R HN 0.532 nan 8.270 nan 0.000 0.436 807 Q N 0.118 119.874 119.800 -0.074 0.000 2.124 807 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 807 Q C 2.285 178.244 176.000 -0.068 0.000 0.977 807 Q CA 1.404 57.200 55.803 -0.011 0.000 0.850 807 Q CB -0.061 28.732 28.738 0.092 0.000 0.901 807 Q HN 0.348 nan 8.270 nan 0.000 0.429 808 L N 0.070 121.123 121.223 -0.283 0.000 1.994 808 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 808 L C 2.558 179.501 176.870 0.122 0.000 1.071 808 L CA 1.093 55.770 54.840 -0.273 0.000 0.745 808 L CB -0.701 41.137 42.059 -0.367 0.000 0.892 808 L HN 0.225 nan 8.230 nan 0.000 0.431 809 A N -0.050 122.855 122.820 0.141 0.000 1.892 809 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 809 A C 2.171 179.820 177.584 0.108 0.000 1.188 809 A CA 2.190 54.326 52.037 0.165 0.000 0.631 809 A CB -0.622 18.435 19.000 0.094 0.000 0.822 809 A HN 0.479 nan 8.150 nan 0.000 0.447 810 E N -0.605 119.640 120.200 0.075 0.000 2.077 810 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 810 E C 2.135 178.788 176.600 0.088 0.000 0.989 810 E CA 0.962 57.402 56.400 0.067 0.000 0.800 810 E CB -0.279 29.453 29.700 0.054 0.000 0.746 810 E HN 0.615 nan 8.360 nan 0.000 0.452 811 A N -0.041 122.866 122.820 0.144 0.000 2.216 811 A HA 0.091 4.411 4.320 -0.000 0.000 0.214 811 A C 1.667 179.304 177.584 0.088 0.000 1.160 811 A CA 1.133 53.277 52.037 0.178 0.000 0.725 811 A CB -0.402 18.808 19.000 0.350 0.000 0.784 811 A HN 0.389 nan 8.150 nan 0.000 0.472 812 G N -2.689 106.156 108.800 0.075 0.000 2.138 812 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.193 812 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.193 812 G C -0.103 174.715 174.900 -0.136 0.000 0.998 812 G CA -0.203 44.869 45.100 -0.047 0.000 0.668 812 G HN 0.261 nan 8.290 nan 0.000 0.516 813 F N 1.504 121.398 119.950 -0.094 0.000 2.429 813 F HA 0.498 5.025 4.527 -0.000 0.000 0.348 813 F C 1.179 176.844 175.800 -0.224 0.000 1.109 813 F CA 0.442 58.309 58.000 -0.221 0.000 1.232 813 F CB 1.303 40.078 39.000 -0.376 0.000 1.157 813 F HN 0.164 nan 8.300 nan 0.000 0.564 814 D N 0.004 120.329 120.400 -0.125 0.000 2.538 814 D HA 0.330 4.970 4.640 -0.000 0.000 0.241 814 D C -0.490 175.756 176.300 -0.090 0.000 1.297 814 D CA -0.107 53.861 54.000 -0.053 0.000 0.804 814 D CB 0.051 40.829 40.800 -0.036 0.000 1.122 814 D HN 0.400 nan 8.370 nan 0.000 0.519 815 A N 0.453 123.107 122.820 -0.276 0.000 2.411 815 A HA 0.619 4.939 4.320 -0.000 0.000 0.285 815 A C -1.612 175.737 177.584 -0.392 0.000 1.129 815 A CA -0.686 51.232 52.037 -0.199 0.000 0.736 815 A CB 0.624 19.538 19.000 -0.143 0.000 1.186 815 A HN 0.060 nan 8.150 nan 0.000 0.445 816 F N 2.271 122.177 119.950 -0.075 0.000 2.388 816 F HA 0.476 5.003 4.527 -0.000 0.000 0.358 816 F C 0.114 175.816 175.800 -0.164 0.000 1.122 816 F CA -0.613 57.323 58.000 -0.108 0.000 1.056 816 F CB 2.190 41.149 39.000 -0.068 0.000 1.155 816 F HN 0.271 nan 8.300 nan 0.000 0.461 817 V N 3.146 122.971 119.914 -0.149 0.000 2.333 817 V HA 0.200 4.320 4.120 -0.000 0.000 0.274 817 V C 0.080 176.024 176.094 -0.251 0.000 1.028 817 V CA -0.904 61.209 62.300 -0.311 0.000 0.851 817 V CB 1.144 32.534 31.823 -0.722 0.000 1.000 817 V HN 0.678 nan 8.190 nan 0.000 0.456 818 E N 3.530 123.653 120.200 -0.128 0.000 2.129 818 E HA 0.237 4.587 4.350 -0.000 0.000 0.283 818 E C -0.634 175.914 176.600 -0.086 0.000 1.080 818 E CA -0.324 56.010 56.400 -0.111 0.000 0.867 818 E CB 1.434 31.109 29.700 -0.043 0.000 1.056 818 E HN 0.565 nan 8.360 nan 0.000 0.404 819 V N 5.039 124.836 119.914 -0.195 0.000 2.056 819 V HA 0.082 4.202 4.120 -0.000 0.000 0.267 819 V C 0.059 176.240 176.094 0.145 0.000 1.535 819 V CA -0.130 62.161 62.300 -0.016 0.000 1.475 819 V CB -0.567 31.132 31.823 -0.206 0.000 1.441 819 V HN 0.547 nan 8.190 nan 0.000 0.500 820 S N 2.184 117.987 115.700 0.170 0.000 2.627 820 S HA 0.669 5.139 4.470 -0.000 0.000 0.283 820 S C -2.429 172.310 174.600 0.233 0.000 1.127 820 S CA -1.579 56.737 58.200 0.194 0.000 0.863 820 S CB 2.512 65.798 63.200 0.143 0.000 1.121 820 S HN 0.175 nan 8.310 nan 0.000 0.479 821 P HA 0.132 nan 4.420 nan 0.000 0.226 821 P C -0.215 177.419 177.300 0.558 0.000 1.153 821 P CA 1.234 64.547 63.100 0.354 0.000 0.777 821 P CB -0.158 31.658 31.700 0.194 0.000 0.794 822 H N -1.306 117.929 119.070 0.276 0.000 3.026 822 H HA 0.309 4.865 4.556 -0.000 0.000 0.352 822 H C -2.899 172.485 175.328 0.093 0.000 1.090 822 H CA -2.161 53.996 56.048 0.182 0.000 1.268 822 H CB 1.737 31.616 29.762 0.196 0.000 1.816 822 H HN -0.272 nan 8.280 nan 0.000 0.518 823 P HA 0.011 nan 4.420 nan 0.000 0.276 823 P C -0.101 177.123 177.300 -0.127 0.000 1.264 823 P CA 0.138 63.133 63.100 -0.175 0.000 0.769 823 P CB 1.811 33.389 31.700 -0.205 0.000 0.840 824 V N 4.410 124.293 119.914 -0.053 0.000 3.359 824 V HA 0.093 4.213 4.120 -0.000 0.000 0.245 824 V C 1.625 177.649 176.094 -0.117 0.000 1.247 824 V CA 0.681 62.954 62.300 -0.046 0.000 1.145 824 V CB -0.103 31.705 31.823 -0.025 0.000 0.906 824 V HN 0.339 nan 8.190 nan 0.000 0.464 825 L N -0.328 120.800 121.223 -0.158 0.000 2.640 825 L HA 0.116 4.456 4.340 -0.000 0.000 0.230 825 L C 2.178 178.998 176.870 -0.084 0.000 1.123 825 L CA 0.578 55.300 54.840 -0.196 0.000 0.900 825 L CB -0.306 41.510 42.059 -0.404 0.000 1.146 825 L HN 0.228 nan 8.230 nan 0.000 0.484 826 T N 0.588 115.102 114.554 -0.067 0.000 2.570 826 T HA -0.240 4.110 4.350 -0.000 0.000 0.266 826 T C 2.030 176.707 174.700 -0.037 0.000 1.071 826 T CA 2.027 64.101 62.100 -0.044 0.000 1.172 826 T CB -0.180 68.657 68.868 -0.052 0.000 0.864 826 T HN 0.071 nan 8.240 nan 0.000 0.421 827 V N 1.148 121.040 119.914 -0.037 0.000 2.287 827 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 827 V C 2.832 178.916 176.094 -0.016 0.000 1.053 827 V CA 2.119 64.403 62.300 -0.026 0.000 1.027 827 V CB -1.407 30.402 31.823 -0.023 0.000 0.646 827 V HN 0.666 nan 8.190 nan 0.000 0.447 828 G N -0.320 108.478 108.800 -0.004 0.000 2.440 828 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 828 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 828 G C 1.565 176.479 174.900 0.023 0.000 1.154 828 G CA 1.189 46.306 45.100 0.029 0.000 0.767 828 G HN 0.504 nan 8.290 nan 0.000 0.552 829 I N 0.558 121.134 120.570 0.009 0.000 2.142 829 I HA -0.161 4.009 4.170 -0.000 0.000 0.240 829 I C 2.799 178.826 176.117 -0.149 0.000 1.078 829 I CA 1.411 62.648 61.300 -0.105 0.000 1.343 829 I CB -0.299 37.587 38.000 -0.190 0.000 1.046 829 I HN 0.258 nan 8.210 nan 0.000 0.405 830 E N 0.962 121.104 120.200 -0.096 0.000 2.110 830 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 830 E C 2.307 178.875 176.600 -0.053 0.000 0.988 830 E CA 1.325 57.681 56.400 -0.072 0.000 0.804 830 E CB -0.245 29.431 29.700 -0.040 0.000 0.745 830 E HN 0.538 nan 8.360 nan 0.000 0.458 831 A N 0.923 123.721 122.820 -0.038 0.000 1.969 831 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 831 A C 2.318 179.884 177.584 -0.031 0.000 1.169 831 A CA 1.577 53.600 52.037 -0.023 0.000 0.635 831 A CB -0.608 18.388 19.000 -0.007 0.000 0.810 831 A HN 0.149 nan 8.150 nan 0.000 0.445 832 T N 0.544 115.067 114.554 -0.051 0.000 2.701 832 T HA -0.059 4.291 4.350 -0.000 0.000 0.263 832 T C 1.817 176.474 174.700 -0.072 0.000 1.040 832 T CA 1.414 63.474 62.100 -0.065 0.000 1.147 832 T CB -0.391 68.413 68.868 -0.105 0.000 0.865 832 T HN 0.375 nan 8.240 nan 0.000 0.426 833 L N 1.058 122.222 121.223 -0.099 0.000 2.079 833 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 833 L C 2.295 179.145 176.870 -0.033 0.000 1.081 833 L CA 1.158 55.954 54.840 -0.073 0.000 0.752 833 L CB -0.636 41.373 42.059 -0.083 0.000 0.896 833 L HN 0.179 nan 8.230 nan 0.000 0.433 834 D N -1.059 119.323 120.400 -0.029 0.000 2.310 834 D HA -0.133 4.507 4.640 -0.000 0.000 0.212 834 D C 2.331 178.625 176.300 -0.011 0.000 0.965 834 D CA 0.889 54.880 54.000 -0.014 0.000 0.879 834 D CB 0.169 40.962 40.800 -0.012 0.000 0.921 834 D HN 0.097 nan 8.370 nan 0.000 0.510 835 S N -0.801 114.890 115.700 -0.016 0.000 2.406 835 S HA 0.113 4.583 4.470 -0.000 0.000 0.224 835 S C 1.451 176.045 174.600 -0.010 0.000 1.030 835 S CA 0.820 59.013 58.200 -0.011 0.000 0.958 835 S CB 0.272 63.463 63.200 -0.014 0.000 0.811 835 S HN 0.242 nan 8.310 nan 0.000 0.489 836 A N 0.407 123.219 122.820 -0.014 0.000 2.610 836 A HA 0.618 4.938 4.320 -0.000 0.000 0.291 836 A C -0.180 177.404 177.584 0.000 0.000 1.116 836 A CA -0.382 51.650 52.037 -0.009 0.000 0.963 836 A CB 0.238 19.228 19.000 -0.017 0.000 1.220 836 A HN 0.406 nan 8.150 nan 0.000 0.530 837 L N -0.189 121.036 121.223 0.003 0.000 2.350 837 L HA 0.474 4.814 4.340 -0.000 0.000 0.260 837 L C -2.534 174.341 176.870 0.008 0.000 1.015 837 L CA -2.511 52.336 54.840 0.012 0.000 0.821 837 L CB 2.291 44.363 42.059 0.021 0.000 1.370 837 L HN -0.031 nan 8.230 nan 0.000 0.416 838 P HA 0.047 nan 4.420 nan 0.000 0.258 838 P C -0.599 176.706 177.300 0.007 0.000 1.187 838 P CA -0.123 62.981 63.100 0.007 0.000 0.767 838 P CB 0.377 32.081 31.700 0.007 0.000 0.770 839 A N 3.607 126.430 122.820 0.005 0.000 2.567 839 A HA 0.098 4.418 4.320 -0.000 0.000 0.240 839 A C 1.010 178.596 177.584 0.005 0.000 1.053 839 A CA 0.456 52.496 52.037 0.004 0.000 0.755 839 A CB -0.707 18.295 19.000 0.003 0.000 0.978 839 A HN 0.682 nan 8.150 nan 0.000 0.507 840 D N -0.529 119.874 120.400 0.005 0.000 2.870 840 D HA -0.142 4.498 4.640 -0.000 0.000 0.228 840 D C 0.026 176.328 176.300 0.004 0.000 1.147 840 D CA 1.617 55.619 54.000 0.004 0.000 0.757 840 D CB -1.234 39.569 40.800 0.004 0.000 1.091 840 D HN 1.184 nan 8.370 nan 0.000 0.429 841 A N -0.182 122.642 122.820 0.006 0.000 2.399 841 A HA 0.711 5.031 4.320 -0.000 0.000 0.327 841 A C 1.505 179.095 177.584 0.010 0.000 1.367 841 A CA 0.766 52.806 52.037 0.006 0.000 0.842 841 A CB 0.718 19.722 19.000 0.006 0.000 1.142 841 A HN 1.049 nan 8.150 nan 0.000 0.495 842 G N 2.099 110.902 108.800 0.005 0.000 2.595 842 G HA2 0.172 4.132 3.960 -0.000 0.000 0.297 842 G HA3 0.172 4.132 3.960 -0.000 0.000 0.297 842 G C 0.982 175.897 174.900 0.024 0.000 1.181 842 G CA 1.365 46.470 45.100 0.007 0.000 0.963 842 G HN 2.757 nan 8.290 nan 0.000 0.541 843 A N -1.762 121.087 122.820 0.048 0.000 1.371 843 A HA 0.194 4.514 4.320 -0.000 0.000 0.173 843 A C 0.937 178.575 177.584 0.089 0.000 1.184 843 A CA 1.769 53.864 52.037 0.096 0.000 0.625 843 A CB -1.506 17.546 19.000 0.087 0.000 1.069 843 A HN 2.618 nan 8.150 nan 0.000 0.142 844 C N 5.463 124.836 119.300 0.121 0.000 2.322 844 C HA 0.725 5.185 4.460 -0.000 0.000 0.324 844 C C -0.227 174.845 174.990 0.138 0.000 1.249 844 C CA 0.007 59.077 59.018 0.086 0.000 1.453 844 C CB 0.289 28.051 27.740 0.037 0.000 2.145 844 C HN 1.311 nan 8.230 nan 0.000 0.466 845 V N 6.289 126.262 119.914 0.099 0.000 2.555 845 V HA 0.776 4.896 4.120 -0.000 0.000 0.302 845 V C -0.391 175.731 176.094 0.047 0.000 1.038 845 V CA -0.386 61.972 62.300 0.096 0.000 0.887 845 V CB 1.793 33.643 31.823 0.045 0.000 0.991 845 V HN 0.760 nan 8.190 nan 0.000 0.434 846 V N 3.135 123.069 119.914 0.033 0.000 2.711 846 V HA 0.707 4.827 4.120 -0.000 0.000 0.304 846 V C 0.476 176.581 176.094 0.019 0.000 1.097 846 V CA -0.104 62.211 62.300 0.026 0.000 0.906 846 V CB 2.155 33.995 31.823 0.027 0.000 1.015 846 V HN 0.989 nan 8.190 nan 0.000 0.427 847 G N 2.760 111.580 108.800 0.032 0.000 2.543 847 G HA2 0.531 4.491 3.960 -0.000 0.000 0.290 847 G HA3 0.531 4.491 3.960 -0.000 0.000 0.290 847 G C 0.513 175.501 174.900 0.146 0.000 1.310 847 G CA 0.527 45.654 45.100 0.046 0.000 1.025 847 G HN 0.629 nan 8.290 nan 0.000 0.502 848 T N -0.855 113.810 114.554 0.185 0.000 3.610 848 T HA 0.285 4.635 4.350 -0.000 0.000 0.209 848 T C 1.027 175.813 174.700 0.142 0.000 0.889 848 T CA -0.042 62.216 62.100 0.263 0.000 1.469 848 T CB -0.397 68.731 68.868 0.433 0.000 1.557 848 T HN 0.151 nan 8.240 nan 0.000 0.431 849 L N 0.497 121.828 121.223 0.179 0.000 2.440 849 L HA 0.671 5.011 4.340 -0.000 0.000 0.262 849 L C 0.202 177.167 176.870 0.159 0.000 1.072 849 L CA -0.947 54.002 54.840 0.183 0.000 0.798 849 L CB 0.955 43.180 42.059 0.276 0.000 1.307 849 L HN 0.165 nan 8.230 nan 0.000 0.475 850 R N -0.318 120.281 120.500 0.165 0.000 2.831 850 R HA 0.392 4.732 4.340 -0.000 0.000 0.266 850 R C -0.927 175.326 176.300 -0.078 0.000 1.051 850 R CA -0.909 55.235 56.100 0.073 0.000 0.943 850 R CB 1.966 32.241 30.300 -0.040 0.000 1.228 850 R HN 0.586 nan 8.270 nan 0.000 0.467 851 R N 1.227 121.621 120.500 -0.178 0.000 2.537 851 R HA -0.000 4.340 4.340 -0.000 0.000 0.280 851 R C -0.778 174.863 176.300 -1.098 0.000 1.058 851 R CA 0.595 56.017 56.100 -1.130 0.000 1.057 851 R CB 0.289 30.159 30.300 -0.717 0.000 0.973 851 R HN 0.673 nan 8.270 nan 0.000 0.438 852 D N 2.479 121.774 120.400 -1.841 0.000 2.882 852 D HA -0.192 4.448 4.640 -0.000 0.000 0.229 852 D C -0.609 175.438 176.300 -0.421 0.000 1.167 852 D CA 1.023 54.506 54.000 -0.862 0.000 0.759 852 D CB -0.295 40.270 40.800 -0.392 0.000 1.088 852 D HN 0.665 nan 8.370 nan 0.000 0.425 853 R N -0.518 119.751 120.500 -0.384 0.000 2.647 853 R HA 0.352 4.692 4.340 -0.000 0.000 0.295 853 R C 0.891 177.298 176.300 0.178 0.000 1.267 853 R CA 0.131 56.204 56.100 -0.044 0.000 1.386 853 R CB 0.840 31.095 30.300 -0.075 0.000 1.309 853 R HN 0.121 nan 8.270 nan 0.000 0.692 854 G N -0.137 108.893 108.800 0.383 0.000 2.485 854 G HA2 0.461 4.421 3.960 -0.000 0.000 0.260 854 G HA3 0.461 4.421 3.960 -0.000 0.000 0.260 854 G C 0.254 175.204 174.900 0.084 0.000 1.459 854 G CA 0.324 45.606 45.100 0.304 0.000 1.060 854 G HN 0.407 nan 8.290 nan 0.000 0.546 855 G N -2.277 106.499 108.800 -0.041 0.000 2.881 855 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.681 855 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.681 855 G C 0.840 175.675 174.900 -0.108 0.000 1.567 855 G CA -0.018 45.028 45.100 -0.090 0.000 1.013 855 G HN 0.809 nan 8.290 nan 0.000 0.580 856 L N 1.150 122.279 121.223 -0.156 0.000 1.994 856 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 856 L C 3.385 180.159 176.870 -0.159 0.000 1.071 856 L CA 2.541 57.234 54.840 -0.245 0.000 0.745 856 L CB -0.846 41.054 42.059 -0.264 0.000 0.892 856 L HN 1.012 nan 8.230 nan 0.000 0.431 857 A N -0.578 122.226 122.820 -0.027 0.000 2.032 857 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 857 A C 1.864 179.479 177.584 0.051 0.000 1.165 857 A CA 2.098 54.174 52.037 0.066 0.000 0.645 857 A CB -0.483 18.553 19.000 0.061 0.000 0.807 857 A HN 0.493 nan 8.150 nan 0.000 0.453 858 D N -1.550 118.859 120.400 0.016 0.000 2.162 858 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 858 D C 1.677 177.964 176.300 -0.023 0.000 0.964 858 D CA 1.018 55.024 54.000 0.011 0.000 0.847 858 D CB -0.351 40.464 40.800 0.024 0.000 0.988 858 D HN 0.489 nan 8.370 nan 0.000 0.480 859 F N 2.358 122.185 119.950 -0.206 0.000 2.091 859 F HA -0.263 4.264 4.527 -0.000 0.000 0.299 859 F C 2.407 178.029 175.800 -0.297 0.000 1.103 859 F CA 1.683 59.489 58.000 -0.325 0.000 1.228 859 F CB -0.242 38.462 39.000 -0.492 0.000 0.984 859 F HN -0.005 nan 8.300 nan 0.000 0.477 860 H N -0.455 118.552 119.070 -0.106 0.000 2.421 860 H HA -0.093 4.463 4.556 -0.000 0.000 0.298 860 H C 2.313 177.584 175.328 -0.094 0.000 1.087 860 H CA 1.795 57.773 56.048 -0.116 0.000 1.330 860 H CB -1.048 28.767 29.762 0.089 0.000 1.388 860 H HN 0.271 nan 8.280 nan 0.000 0.526 861 T N 0.562 115.143 114.554 0.045 0.000 2.833 861 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 861 T C 2.256 176.954 174.700 -0.002 0.000 1.054 861 T CA 1.124 63.249 62.100 0.042 0.000 1.135 861 T CB -0.236 68.650 68.868 0.030 0.000 0.869 861 T HN 0.458 nan 8.240 nan 0.000 0.466 862 A N 0.985 123.729 122.820 -0.127 0.000 1.897 862 A HA 0.140 4.460 4.320 -0.000 0.000 0.215 862 A C 2.278 179.821 177.584 -0.068 0.000 1.181 862 A CA 0.800 52.784 52.037 -0.089 0.000 0.620 862 A CB -0.796 18.133 19.000 -0.118 0.000 0.821 862 A HN 0.442 nan 8.150 nan 0.000 0.443 863 L N -0.484 120.510 121.223 -0.381 0.000 2.043 863 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 863 L C 2.728 179.651 176.870 0.089 0.000 1.075 863 L CA 1.272 55.920 54.840 -0.321 0.000 0.752 863 L CB -0.594 41.023 42.059 -0.737 0.000 0.891 863 L HN 0.519 nan 8.230 nan 0.000 0.432 864 G N -1.137 107.820 108.800 0.262 0.000 2.418 864 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 864 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 864 G C 1.404 176.480 174.900 0.295 0.000 1.158 864 G CA 0.311 45.654 45.100 0.404 0.000 0.771 864 G HN 0.272 nan 8.290 nan 0.000 0.545 865 E N 0.940 121.248 120.200 0.180 0.000 2.058 865 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 865 E C 2.964 179.653 176.600 0.148 0.000 0.997 865 E CA 1.209 57.692 56.400 0.137 0.000 0.801 865 E CB -0.618 29.140 29.700 0.097 0.000 0.746 865 E HN 0.353 nan 8.360 nan 0.000 0.450 866 A N 0.740 123.669 122.820 0.182 0.000 1.845 866 A HA -0.224 4.096 4.320 -0.000 0.000 0.215 866 A C 2.202 179.889 177.584 0.172 0.000 1.195 866 A CA 1.699 53.830 52.037 0.157 0.000 0.616 866 A CB -1.139 17.991 19.000 0.216 0.000 0.832 866 A HN 0.374 nan 8.150 nan 0.000 0.443 867 Y N 0.755 121.131 120.300 0.127 0.000 2.165 867 Y HA -0.161 4.389 4.550 -0.000 0.000 0.286 867 Y C 2.544 178.531 175.900 0.146 0.000 1.155 867 Y CA 1.488 59.690 58.100 0.171 0.000 1.164 867 Y CB -0.434 38.242 38.460 0.361 0.000 0.978 867 Y HN 0.300 nan 8.280 nan 0.000 0.513 868 A N -0.124 122.794 122.820 0.165 0.000 2.067 868 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 868 A C 1.888 179.441 177.584 -0.052 0.000 1.158 868 A CA 1.645 53.705 52.037 0.037 0.000 0.661 868 A CB -0.427 18.644 19.000 0.118 0.000 0.801 868 A HN 0.724 nan 8.150 nan 0.000 0.452 869 Q N -2.113 117.669 119.800 -0.031 0.000 2.319 869 Q HA 0.315 4.655 4.340 -0.000 0.000 0.209 869 Q C 0.939 176.898 176.000 -0.068 0.000 0.884 869 Q CA 0.504 56.279 55.803 -0.045 0.000 0.938 869 Q CB 0.681 29.413 28.738 -0.011 0.000 1.098 869 Q HN 0.815 nan 8.270 nan 0.000 0.517 870 G N 0.786 109.528 108.800 -0.095 0.000 2.198 870 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.156 870 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.156 870 G C 0.077 174.943 174.900 -0.057 0.000 1.012 870 G CA -0.396 44.639 45.100 -0.108 0.000 0.692 870 G HN 0.125 nan 8.290 nan 0.000 0.492 871 V N 0.979 120.886 119.914 -0.013 0.000 2.655 871 V HA 0.255 4.375 4.120 -0.000 0.000 0.300 871 V C 0.985 177.119 176.094 0.067 0.000 1.044 871 V CA 0.223 62.535 62.300 0.020 0.000 1.095 871 V CB 1.405 33.248 31.823 0.033 0.000 0.952 871 V HN 0.410 nan 8.190 nan 0.000 0.485 872 E N 3.027 123.259 120.200 0.053 0.000 2.220 872 E HA 0.312 4.662 4.350 -0.000 0.000 0.272 872 E C -0.943 175.715 176.600 0.097 0.000 1.099 872 E CA -0.057 56.392 56.400 0.082 0.000 0.907 872 E CB 0.844 30.575 29.700 0.051 0.000 1.022 872 E HN 0.500 nan 8.360 nan 0.000 0.428 873 V N 4.699 124.689 119.914 0.128 0.000 2.444 873 V HA 0.106 4.226 4.120 -0.000 0.000 0.294 873 V C -0.218 175.836 176.094 -0.068 0.000 1.022 873 V CA -0.925 61.354 62.300 -0.035 0.000 0.850 873 V CB 1.799 33.480 31.823 -0.236 0.000 0.992 873 V HN 0.654 nan 8.190 nan 0.000 0.426 874 D N 3.494 123.865 120.400 -0.050 0.000 2.336 874 D HA 0.110 4.750 4.640 -0.000 0.000 0.249 874 D C -0.011 176.286 176.300 -0.006 0.000 1.213 874 D CA -0.147 53.859 54.000 0.010 0.000 0.870 874 D CB 0.981 41.791 40.800 0.017 0.000 1.076 874 D HN 0.627 nan 8.370 nan 0.000 0.483 875 W N 2.302 123.659 121.300 0.094 0.000 3.290 875 W HA -0.019 4.641 4.660 -0.000 0.000 0.287 875 W C 2.333 178.886 176.519 0.056 0.000 1.288 875 W CA -0.333 57.063 57.345 0.087 0.000 1.725 875 W CB 0.352 29.831 29.460 0.031 0.000 1.103 875 W HN 0.378 nan 8.180 nan 0.000 0.670 876 S N 0.932 116.795 115.700 0.271 0.000 2.359 876 S HA -0.189 4.281 4.470 -0.000 0.000 0.224 876 S C -0.633 174.065 174.600 0.164 0.000 1.035 876 S CA 1.103 59.481 58.200 0.298 0.000 1.018 876 S CB -1.966 61.363 63.200 0.215 0.000 0.876 876 S HN 0.114 nan 8.310 nan 0.000 0.448 877 P HA -0.153 nan 4.420 nan 0.000 0.216 877 P C 1.687 178.972 177.300 -0.026 0.000 1.157 877 P CA 1.778 64.833 63.100 -0.075 0.000 0.880 877 P CB -0.288 31.235 31.700 -0.295 0.000 0.791 878 A N -0.974 121.803 122.820 -0.073 0.000 1.903 878 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 878 A C 0.843 178.262 177.584 -0.277 0.000 1.191 878 A CA 1.456 53.343 52.037 -0.249 0.000 0.638 878 A CB -1.725 16.859 19.000 -0.693 0.000 0.823 878 A HN 0.131 nan 8.150 nan 0.000 0.451 879 F N 0.696 120.724 119.950 0.131 0.000 2.462 879 F HA 0.530 5.057 4.527 -0.000 0.000 0.354 879 F C 0.851 176.662 175.800 0.017 0.000 1.192 879 F CA -0.910 57.142 58.000 0.087 0.000 1.173 879 F CB -0.396 38.716 39.000 0.186 0.000 1.402 879 F HN 0.242 nan 8.300 nan 0.000 0.595 880 A N 2.650 125.547 122.820 0.128 0.000 2.491 880 A HA 0.298 4.618 4.320 -0.000 0.000 0.261 880 A C 0.979 178.565 177.584 0.004 0.000 1.101 880 A CA -0.049 52.019 52.037 0.052 0.000 0.772 880 A CB -0.148 18.875 19.000 0.038 0.000 1.043 880 A HN 0.862 nan 8.150 nan 0.000 0.501 881 D N -0.549 119.821 120.400 -0.049 0.000 2.792 881 D HA -0.195 4.445 4.640 -0.000 0.000 0.192 881 D C 0.653 176.816 176.300 -0.228 0.000 1.007 881 D CA 1.558 55.495 54.000 -0.105 0.000 1.020 881 D CB -1.760 39.000 40.800 -0.065 0.000 1.089 881 D HN 1.149 nan 8.370 nan 0.000 0.438 882 A N 0.522 123.132 122.820 -0.351 0.000 2.492 882 A HA 0.430 4.750 4.320 -0.000 0.000 0.236 882 A C 0.689 177.781 177.584 -0.820 0.000 1.078 882 A CA 0.602 52.307 52.037 -0.553 0.000 0.773 882 A CB 0.470 19.108 19.000 -0.604 0.000 1.023 882 A HN 0.226 nan 8.150 nan 0.000 0.504 883 R N 0.793 121.010 120.500 -0.471 0.000 2.892 883 R HA 0.580 4.920 4.340 -0.000 0.000 0.265 883 R C -2.693 173.649 176.300 0.071 0.000 1.025 883 R CA -1.807 54.157 56.100 -0.226 0.000 0.982 883 R CB 1.336 31.572 30.300 -0.107 0.000 1.185 883 R HN 0.497 nan 8.270 nan 0.000 0.484 884 P HA 0.303 nan 4.420 nan 0.000 0.279 884 P C -1.056 176.282 177.300 0.064 0.000 1.282 884 P CA -0.405 62.797 63.100 0.170 0.000 0.788 884 P CB 0.817 32.579 31.700 0.103 0.000 1.139 885 V N -1.432 118.500 119.914 0.030 0.000 3.282 885 V HA 0.256 4.376 4.120 -0.000 0.000 0.295 885 V C -1.285 174.812 176.094 0.004 0.000 1.451 885 V CA -0.844 61.469 62.300 0.023 0.000 1.062 885 V CB 2.168 34.015 31.823 0.040 0.000 1.128 885 V HN 0.585 nan 8.190 nan 0.000 0.456 886 E N 2.197 122.412 120.200 0.025 0.000 2.259 886 E HA 0.599 4.949 4.350 -0.000 0.000 0.281 886 E C -1.347 175.204 176.600 -0.082 0.000 1.037 886 E CA 0.176 56.580 56.400 0.007 0.000 0.854 886 E CB 0.774 30.505 29.700 0.052 0.000 1.051 886 E HN 0.538 nan 8.360 nan 0.000 0.409 887 L N 5.267 126.397 121.223 -0.155 0.000 2.333 887 L HA 0.579 4.919 4.340 -0.000 0.000 0.263 887 L C -2.032 174.710 176.870 -0.214 0.000 1.014 887 L CA -2.605 52.029 54.840 -0.343 0.000 0.820 887 L CB 1.869 43.780 42.059 -0.246 0.000 1.352 887 L HN 0.576 nan 8.230 nan 0.000 0.421 888 P HA 0.064 nan 4.420 nan 0.000 0.271 888 P C -0.802 176.476 177.300 -0.036 0.000 1.238 888 P CA -0.254 62.791 63.100 -0.090 0.000 0.794 888 P CB 0.592 32.245 31.700 -0.077 0.000 0.959 889 V N 0.725 120.640 119.914 0.002 0.000 2.850 889 V HA 0.174 4.294 4.120 -0.000 0.000 0.315 889 V C -0.239 175.844 176.094 -0.019 0.000 1.064 889 V CA -0.758 61.574 62.300 0.053 0.000 0.979 889 V CB 1.039 32.925 31.823 0.105 0.000 1.039 889 V HN 0.404 nan 8.190 nan 0.000 0.452 890 Y N 6.599 126.814 120.300 -0.142 0.000 2.881 890 Y HA 0.066 4.616 4.550 -0.000 0.000 0.335 890 Y C -1.843 173.673 175.900 -0.641 0.000 1.263 890 Y CA -1.210 56.660 58.100 -0.383 0.000 1.572 890 Y CB 0.537 38.653 38.460 -0.574 0.000 1.237 890 Y HN 0.379 nan 8.280 nan 0.000 0.568 891 P HA 0.090 nan 4.420 nan 0.000 0.280 891 P C -1.094 175.891 177.300 -0.524 0.000 1.386 891 P CA 0.016 62.787 63.100 -0.549 0.000 0.899 891 P CB -0.272 31.173 31.700 -0.425 0.000 1.098 892 F N 1.884 121.778 119.950 -0.093 0.000 2.529 892 F HA 0.101 4.628 4.527 -0.000 0.000 0.365 892 F C 1.582 177.334 175.800 -0.079 0.000 1.102 892 F CA 0.558 58.526 58.000 -0.052 0.000 1.271 892 F CB 0.420 39.353 39.000 -0.111 0.000 1.120 892 F HN 0.196 nan 8.300 nan 0.000 0.579 893 Q N 4.770 124.650 119.800 0.133 0.000 2.571 893 Q HA 0.260 4.600 4.340 -0.000 0.000 0.222 893 Q C 0.045 176.056 176.000 0.020 0.000 1.167 893 Q CA -0.148 55.673 55.803 0.030 0.000 0.966 893 Q CB 0.539 29.271 28.738 -0.010 0.000 1.274 893 Q HN 0.614 nan 8.270 nan 0.000 0.552 894 R N 0.885 121.400 120.500 0.025 0.000 2.583 894 R HA 0.441 4.781 4.340 -0.000 0.000 0.268 894 R C 0.308 176.596 176.300 -0.021 0.000 1.101 894 R CA -0.244 55.867 56.100 0.017 0.000 1.180 894 R CB 0.963 31.290 30.300 0.045 0.000 1.128 894 R HN 0.470 nan 8.270 nan 0.000 0.568 895 Q N 0.243 120.017 119.800 -0.043 0.000 2.626 895 Q HA 0.371 4.711 4.340 -0.000 0.000 0.300 895 Q C -1.150 174.668 176.000 -0.305 0.000 0.988 895 Q CA -1.070 54.611 55.803 -0.203 0.000 0.761 895 Q CB 2.700 31.244 28.738 -0.323 0.000 1.494 895 Q HN 0.348 nan 8.270 nan 0.000 0.439 896 R N 0.729 120.998 120.500 -0.386 0.000 2.346 896 R HA 0.477 4.817 4.340 -0.000 0.000 0.311 896 R C -1.629 174.408 176.300 -0.438 0.000 0.983 896 R CA -0.045 55.901 56.100 -0.256 0.000 0.880 896 R CB 0.667 30.905 30.300 -0.104 0.000 1.100 896 R HN 0.501 nan 8.270 nan 0.000 0.453 897 Y N 3.340 123.772 120.300 0.220 0.000 2.391 897 Y HA 0.441 4.991 4.550 -0.000 0.000 0.341 897 Y C -0.720 175.423 175.900 0.404 0.000 0.965 897 Y CA -0.722 57.520 58.100 0.236 0.000 1.067 897 Y CB 1.799 40.359 38.460 0.166 0.000 1.199 897 Y HN 0.492 nan 8.280 nan 0.000 0.450 898 W N 6.358 127.816 121.300 0.264 0.000 2.916 898 W HA 0.356 5.016 4.660 -0.000 0.000 0.317 898 W C -2.244 174.390 176.519 0.191 0.000 1.047 898 W CA -0.801 56.706 57.345 0.270 0.000 1.234 898 W CB 1.161 30.721 29.460 0.167 0.000 1.143 898 W HN 0.505 nan 8.180 nan 0.000 0.372 899 L N 8.497 129.687 121.223 -0.055 0.000 2.315 899 L HA 0.235 4.575 4.340 -0.000 0.000 0.283 899 L C -1.324 175.267 176.870 -0.464 0.000 1.089 899 L CA -1.111 53.595 54.840 -0.223 0.000 0.833 899 L CB 0.846 42.735 42.059 -0.283 0.000 1.170 899 L HN 0.143 nan 8.230 nan 0.000 0.442 900 P HA 0.400 nan 4.420 nan 0.000 0.338 900 P C -0.405 176.840 177.300 -0.092 0.000 1.308 900 P CA -0.291 62.811 63.100 0.003 0.000 0.753 900 P CB 1.515 33.333 31.700 0.196 0.000 1.579 901 I N 0.000 120.565 120.570 -0.008 0.000 2.984 901 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 901 I CA 0.000 61.274 61.300 -0.043 0.000 1.566 901 I CB 0.000 37.977 38.000 -0.038 0.000 1.214 901 I HN 0.000 nan 8.210 nan 0.000 0.494