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 3k2w_1_A DATA FIRST_RESID 5 DATA SEQUENCE DLHFKNKVNF IGGQYVPSNE SDTIDILSPS TGKVIGEIPA GCKADAENAL DATA SEQUENCE EVAQAAQKAW AKLTARTRQN MLRTFANKIR ENKHILAPML VAEQGKLLSV DATA SEQUENCE AEMEVDVTAT FIDYGCDNAL TIEGDILPSD NQDEKIYIHK VPRGVVVGIT DATA SEQUENCE AWNFPLALAG RKIGPALITG NTMVLKPTQE TPLATTELGR IAKEAGLPDG DATA SEQUENCE VLNVINGTGS VVGQTLCESP ITKMITMTGS TVAGKQIYKT SAEYMTPVML DATA SEQUENCE ELGGKAPMVV MDDADLDKAA EDALWGRFAN CGQVCTCVER LYVHASVYDE DATA SEQUENCE FMAKFLPLVK GLKVGDPMDA DSQMGPKCNQ REIDNIDHIV HEAIKQGATV DATA SEQUENCE ATGGKXXXXX XXXXGCWYEP TVLVDVKQDN IVVHEETFGP ILPIVKVSSM DATA SEQUENCE EQAIEFCNDS IYGLSAYVHT QSFANINQAI SDLEVGEVYI NRGMGEQHQG DATA SEQUENCE FHNGWKQSGF GGEDGKFGLE QYLEKKTVYI NEAE 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.294 176.300 -0.010 0.000 2.045 5 D CA 0.000 54.010 54.000 0.017 0.000 0.868 5 D CB 0.000 40.816 40.800 0.027 0.000 0.688 6 L N 1.956 123.122 121.223 -0.095 0.000 2.307 6 L HA 0.438 4.780 4.340 0.003 0.000 0.282 6 L C 0.221 176.898 176.870 -0.323 0.000 1.051 6 L CA -0.680 53.989 54.840 -0.284 0.000 0.804 6 L CB 1.459 43.125 42.059 -0.655 0.000 1.197 6 L HN 0.197 nan 8.230 nan 0.000 0.431 7 H N 3.590 122.463 119.070 -0.329 0.000 2.966 7 H HA 0.118 4.675 4.556 0.003 0.000 0.217 7 H C -0.373 174.833 175.328 -0.204 0.000 1.906 7 H CA -0.355 55.572 56.048 -0.200 0.000 1.351 7 H CB -0.338 29.343 29.762 -0.135 0.000 1.722 7 H HN 0.323 nan 8.280 nan 0.000 0.562 8 F N 1.310 121.252 119.950 -0.014 0.000 2.646 8 F HA -0.113 4.416 4.527 0.003 0.000 0.363 8 F C 1.367 177.124 175.800 -0.071 0.000 1.143 8 F CA 0.344 58.323 58.000 -0.034 0.000 1.356 8 F CB 0.554 39.534 39.000 -0.034 0.000 1.055 8 F HN 0.071 nan 8.300 nan 0.000 0.606 9 K N 3.243 123.723 120.400 0.134 0.000 2.142 9 K HA 0.113 4.435 4.320 0.003 0.000 0.250 9 K C -0.427 176.202 176.600 0.047 0.000 1.148 9 K CA -0.216 56.048 56.287 -0.038 0.000 1.040 9 K CB -0.463 31.930 32.500 -0.177 0.000 1.569 9 K HN 0.475 nan 8.250 nan 0.000 0.361 10 N N 1.857 120.583 118.700 0.043 0.000 2.530 10 N HA 0.036 4.778 4.740 0.003 0.000 0.273 10 N C 0.095 175.623 175.510 0.029 0.000 1.173 10 N CA 0.019 53.087 53.050 0.030 0.000 0.967 10 N CB 0.757 39.256 38.487 0.019 0.000 1.109 10 N HN 0.301 nan 8.380 nan 0.000 0.453 11 K N -1.407 119.011 120.400 0.029 0.000 3.071 11 K HA -0.184 4.138 4.320 0.003 0.000 0.265 11 K C -0.495 176.144 176.600 0.065 0.000 1.060 11 K CA 0.396 56.705 56.287 0.036 0.000 0.767 11 K CB -1.710 30.804 32.500 0.023 0.000 1.241 11 K HN 0.429 nan 8.250 nan 0.000 0.486 12 V N -3.099 116.876 119.914 0.101 0.000 3.078 12 V HA 0.631 4.753 4.120 0.003 0.000 0.311 12 V C -0.180 176.034 176.094 0.199 0.000 1.138 12 V CA -1.312 61.087 62.300 0.164 0.000 1.007 12 V CB 2.275 34.246 31.823 0.247 0.000 1.045 12 V HN 0.096 nan 8.190 nan 0.000 0.432 13 N N 0.689 119.501 118.700 0.188 0.000 2.459 13 N HA 0.594 5.336 4.740 0.003 0.000 0.288 13 N C -1.502 174.127 175.510 0.198 0.000 1.186 13 N CA -0.371 52.782 53.050 0.171 0.000 0.917 13 N CB 2.330 40.865 38.487 0.080 0.000 1.219 13 N HN 0.888 nan 8.380 nan 0.000 0.525 14 F N 1.466 121.382 119.950 -0.056 0.000 2.375 14 F HA 0.580 5.109 4.527 0.003 0.000 0.361 14 F C -0.890 174.799 175.800 -0.185 0.000 1.117 14 F CA -0.608 57.226 58.000 -0.277 0.000 1.037 14 F CB 0.354 39.078 39.000 -0.460 0.000 1.192 14 F HN 0.266 nan 8.300 nan 0.000 0.452 15 I N 5.319 125.508 120.570 -0.635 0.000 2.534 15 I HA 0.386 4.558 4.170 0.003 0.000 0.288 15 I C 0.534 176.329 176.117 -0.536 0.000 1.077 15 I CA -0.902 60.131 61.300 -0.445 0.000 1.051 15 I CB 2.032 39.906 38.000 -0.211 0.000 1.234 15 I HN 0.792 nan 8.210 nan 0.000 0.425 16 G N 3.972 112.503 108.800 -0.447 0.000 2.249 16 G HA2 -0.078 3.884 3.960 0.003 0.000 0.273 16 G HA3 -0.078 3.884 3.960 0.003 0.000 0.273 16 G C 0.966 175.619 174.900 -0.411 0.000 1.036 16 G CA 0.644 45.539 45.100 -0.341 0.000 0.824 16 G HN 1.669 nan 8.290 nan 0.000 0.504 17 G N -2.521 105.853 108.800 -0.710 0.000 2.194 17 G HA2 -0.160 3.802 3.960 0.003 0.000 0.236 17 G HA3 -0.160 3.802 3.960 0.003 0.000 0.236 17 G C 0.123 174.660 174.900 -0.605 0.000 0.987 17 G CA 0.931 45.708 45.100 -0.540 0.000 0.635 17 G HN 1.217 nan 8.290 nan 0.000 0.520 18 Q N -0.444 118.897 119.800 -0.765 0.000 2.365 18 Q HA 0.547 4.888 4.340 0.003 0.000 0.269 18 Q C -0.929 174.828 176.000 -0.405 0.000 1.061 18 Q CA -0.904 54.674 55.803 -0.375 0.000 0.816 18 Q CB 1.427 30.054 28.738 -0.185 0.000 1.325 18 Q HN 0.299 nan 8.270 nan 0.000 0.446 19 Y N 1.078 121.409 120.300 0.052 0.000 2.537 19 Y HA 0.211 4.762 4.550 0.003 0.000 0.339 19 Y C 0.685 176.601 175.900 0.027 0.000 1.066 19 Y CA -0.148 58.022 58.100 0.117 0.000 1.357 19 Y CB 0.386 38.951 38.460 0.174 0.000 1.175 19 Y HN 0.234 nan 8.280 nan 0.000 0.525 20 V N 3.381 123.373 119.914 0.130 0.000 2.914 20 V HA 0.761 4.883 4.120 0.003 0.000 0.314 20 V C -2.752 173.391 176.094 0.082 0.000 1.084 20 V CA -2.962 59.377 62.300 0.065 0.000 0.963 20 V CB 2.123 33.939 31.823 -0.012 0.000 1.025 20 V HN 0.444 nan 8.190 nan 0.000 0.432 21 P HA 0.286 nan 4.420 nan 0.000 0.278 21 P C 0.129 177.450 177.300 0.036 0.000 1.258 21 P CA -0.061 63.070 63.100 0.052 0.000 0.811 21 P CB 1.375 33.099 31.700 0.040 0.000 1.063 22 S N 0.351 116.071 115.700 0.034 0.000 2.580 22 S HA 0.008 4.480 4.470 0.003 0.000 0.261 22 S C 1.357 175.966 174.600 0.016 0.000 1.366 22 S CA -0.206 58.008 58.200 0.024 0.000 0.996 22 S CB -0.528 62.687 63.200 0.025 0.000 0.902 22 S HN 0.341 nan 8.310 nan 0.000 0.566 23 N N 1.008 119.714 118.700 0.011 0.000 2.422 23 N HA 0.099 4.841 4.740 0.003 0.000 0.181 23 N C -0.445 175.069 175.510 0.008 0.000 1.080 23 N CA 0.469 53.523 53.050 0.007 0.000 0.893 23 N CB 0.244 38.733 38.487 0.004 0.000 0.973 23 N HN 0.609 nan 8.380 nan 0.000 0.456 24 E N -0.461 119.745 120.200 0.010 0.000 2.248 24 E HA 0.188 4.540 4.350 0.003 0.000 0.267 24 E C 0.197 176.803 176.600 0.011 0.000 0.877 24 E CA -0.322 56.083 56.400 0.009 0.000 0.759 24 E CB 1.519 31.224 29.700 0.008 0.000 1.182 24 E HN 0.032 nan 8.360 nan 0.000 0.418 25 S N 1.159 116.865 115.700 0.009 0.000 2.555 25 S HA -0.084 4.388 4.470 0.003 0.000 0.230 25 S C 0.692 175.296 174.600 0.007 0.000 0.978 25 S CA 0.173 58.379 58.200 0.009 0.000 0.934 25 S CB 0.022 63.226 63.200 0.007 0.000 0.766 25 S HN 0.483 nan 8.310 nan 0.000 0.533 26 D N 2.906 123.310 120.400 0.007 0.000 2.423 26 D HA 0.258 4.900 4.640 0.003 0.000 0.238 26 D C 0.354 176.658 176.300 0.005 0.000 1.142 26 D CA 0.765 54.768 54.000 0.005 0.000 0.884 26 D CB 1.225 42.028 40.800 0.005 0.000 1.199 26 D HN 0.470 nan 8.370 nan 0.000 0.438 27 T N -0.016 114.539 114.554 0.001 0.000 2.901 27 T HA 0.697 5.049 4.350 0.003 0.000 0.293 27 T C -0.137 174.559 174.700 -0.006 0.000 1.084 27 T CA -0.875 61.224 62.100 -0.001 0.000 1.008 27 T CB 0.909 69.773 68.868 -0.005 0.000 1.170 27 T HN 0.276 nan 8.240 nan 0.000 0.509 28 I N 1.392 121.956 120.570 -0.010 0.000 2.509 28 I HA 0.427 4.599 4.170 0.003 0.000 0.293 28 I C -0.954 175.143 176.117 -0.033 0.000 1.020 28 I CA -0.968 60.321 61.300 -0.018 0.000 1.088 28 I CB 2.081 40.074 38.000 -0.012 0.000 1.267 28 I HN 0.658 nan 8.210 nan 0.000 0.430 29 D N 5.328 125.703 120.400 -0.042 0.000 2.210 29 D HA 0.518 5.159 4.640 0.003 0.000 0.249 29 D C -0.627 175.627 176.300 -0.077 0.000 1.062 29 D CA -0.010 53.954 54.000 -0.060 0.000 0.891 29 D CB 1.657 42.425 40.800 -0.053 0.000 1.186 29 D HN 0.196 nan 8.370 nan 0.000 0.432 30 I N 2.681 123.186 120.570 -0.108 0.000 2.321 30 I HA 0.223 4.395 4.170 0.003 0.000 0.291 30 I C -0.815 175.225 176.117 -0.129 0.000 0.998 30 I CA -0.563 60.661 61.300 -0.127 0.000 1.227 30 I CB 0.807 38.708 38.000 -0.164 0.000 1.368 30 I HN 0.072 nan 8.210 nan 0.000 0.466 31 L N 4.818 125.975 121.223 -0.111 0.000 2.334 31 L HA 0.481 4.823 4.340 0.003 0.000 0.275 31 L C 0.414 177.224 176.870 -0.101 0.000 1.036 31 L CA -0.169 54.614 54.840 -0.096 0.000 0.807 31 L CB 1.718 43.725 42.059 -0.088 0.000 1.231 31 L HN 0.540 nan 8.230 nan 0.000 0.438 32 S N 3.632 119.286 115.700 -0.077 0.000 2.523 32 S HA 0.363 4.835 4.470 0.003 0.000 0.275 32 S C -1.507 173.034 174.600 -0.098 0.000 1.281 32 S CA -1.123 57.035 58.200 -0.069 0.000 1.050 32 S CB 0.750 63.936 63.200 -0.023 0.000 0.937 32 S HN 0.506 nan 8.310 nan 0.000 0.492 33 P HA 0.014 nan 4.420 nan 0.000 0.226 33 P C 0.865 177.984 177.300 -0.301 0.000 1.153 33 P CA 0.638 63.592 63.100 -0.243 0.000 0.777 33 P CB 0.164 31.688 31.700 -0.293 0.000 0.794 34 S N -0.162 115.450 115.700 -0.146 0.000 2.370 34 S HA -0.049 4.423 4.470 0.003 0.000 0.214 34 S C 2.067 176.804 174.600 0.228 0.000 1.033 34 S CA 1.806 60.027 58.200 0.036 0.000 0.941 34 S CB -1.031 62.232 63.200 0.106 0.000 0.886 34 S HN 0.372 nan 8.310 nan 0.000 0.521 35 T N -1.649 112.980 114.554 0.126 0.000 2.901 35 T HA 0.400 4.752 4.350 0.003 0.000 0.252 35 T C 1.665 176.416 174.700 0.084 0.000 1.035 35 T CA 1.392 63.563 62.100 0.118 0.000 1.142 35 T CB -0.258 68.656 68.868 0.077 0.000 0.869 35 T HN 0.671 nan 8.240 nan 0.000 0.442 36 G N 1.198 110.019 108.800 0.036 0.000 2.253 36 G HA2 -0.166 3.796 3.960 0.003 0.000 0.209 36 G HA3 -0.166 3.796 3.960 0.003 0.000 0.209 36 G C 0.111 175.008 174.900 -0.005 0.000 0.997 36 G CA -0.043 45.064 45.100 0.011 0.000 0.640 36 G HN 0.695 nan 8.290 nan 0.000 0.496 37 K N 0.308 120.708 120.400 0.001 0.000 2.180 37 K HA 0.504 4.826 4.320 0.003 0.000 0.251 37 K C 0.487 177.068 176.600 -0.031 0.000 1.014 37 K CA -0.298 55.985 56.287 -0.008 0.000 0.913 37 K CB 1.336 33.839 32.500 0.005 0.000 1.008 37 K HN 0.004 nan 8.250 nan 0.000 0.490 38 V N 4.184 124.076 119.914 -0.036 0.000 2.405 38 V HA 0.005 4.126 4.120 0.003 0.000 0.264 38 V C 1.129 177.177 176.094 -0.077 0.000 1.048 38 V CA 0.284 62.547 62.300 -0.061 0.000 0.966 38 V CB 0.091 31.883 31.823 -0.052 0.000 1.015 38 V HN 0.602 nan 8.190 nan 0.000 0.477 39 I N 3.434 123.927 120.570 -0.130 0.000 2.703 39 I HA 0.398 4.570 4.170 0.003 0.000 0.259 39 I C 1.230 177.146 176.117 -0.336 0.000 1.151 39 I CA 0.843 62.029 61.300 -0.190 0.000 1.470 39 I CB -0.131 37.719 38.000 -0.249 0.000 1.112 39 I HN 0.704 nan 8.210 nan 0.000 0.437 40 G N 0.249 108.849 108.800 -0.333 0.000 2.488 40 G HA2 0.520 4.482 3.960 0.003 0.000 0.301 40 G HA3 0.520 4.482 3.960 0.003 0.000 0.301 40 G C -1.814 172.968 174.900 -0.196 0.000 1.339 40 G CA -0.418 44.485 45.100 -0.327 0.000 0.803 40 G HN 0.026 nan 8.290 nan 0.000 0.482 41 E N -0.561 119.556 120.200 -0.139 0.000 2.287 41 E HA 0.494 4.846 4.350 0.003 0.000 0.274 41 E C -0.745 175.831 176.600 -0.040 0.000 0.896 41 E CA -0.678 55.677 56.400 -0.075 0.000 0.788 41 E CB 1.990 31.660 29.700 -0.050 0.000 1.244 41 E HN 0.705 nan 8.360 nan 0.000 0.408 42 I N -0.054 120.501 120.570 -0.025 0.000 2.863 42 I HA 0.729 4.901 4.170 0.003 0.000 0.311 42 I C -2.580 173.545 176.117 0.013 0.000 1.026 42 I CA -2.967 58.337 61.300 0.007 0.000 1.077 42 I CB 1.665 39.676 38.000 0.019 0.000 1.262 42 I HN 0.243 nan 8.210 nan 0.000 0.461 43 P HA 0.038 nan 4.420 nan 0.000 0.267 43 P C 0.049 177.361 177.300 0.020 0.000 1.200 43 P CA 0.140 63.255 63.100 0.024 0.000 0.772 43 P CB 0.843 32.564 31.700 0.034 0.000 0.855 44 A N 2.972 125.801 122.820 0.015 0.000 2.067 44 A HA 0.378 4.700 4.320 0.003 0.000 0.217 44 A C 1.065 178.660 177.584 0.018 0.000 1.156 44 A CA 1.110 53.155 52.037 0.014 0.000 0.683 44 A CB -1.328 17.677 19.000 0.009 0.000 0.808 44 A HN 0.787 nan 8.150 nan 0.000 0.455 45 G N -1.868 106.943 108.800 0.019 0.000 2.731 45 G HA2 0.055 4.016 3.960 0.003 0.000 0.686 45 G HA3 0.055 4.016 3.960 0.003 0.000 0.686 45 G C -0.114 174.795 174.900 0.016 0.000 1.395 45 G CA -0.269 44.843 45.100 0.020 0.000 0.870 45 G HN 1.974 nan 8.290 nan 0.000 0.591 46 C N 0.522 119.831 119.300 0.015 0.000 3.213 46 C HA 0.875 5.337 4.460 0.003 0.000 0.319 46 C C 1.702 176.699 174.990 0.011 0.000 1.386 46 C CA -0.049 58.976 59.018 0.012 0.000 1.494 46 C CB 1.524 29.270 27.740 0.010 0.000 1.905 46 C HN 1.287 nan 8.230 nan 0.000 0.456 47 K N 0.543 120.950 120.400 0.010 0.000 2.147 47 K HA -0.062 4.260 4.320 0.003 0.000 0.205 47 K C 1.993 178.597 176.600 0.005 0.000 1.049 47 K CA 1.915 58.208 56.287 0.009 0.000 0.936 47 K CB -0.446 32.060 32.500 0.010 0.000 0.722 47 K HN 0.823 nan 8.250 nan 0.000 0.446 48 A N 1.429 124.251 122.820 0.004 0.000 1.933 48 A HA -0.173 4.149 4.320 0.003 0.000 0.218 48 A C 1.535 179.118 177.584 -0.003 0.000 1.175 48 A CA 1.864 53.901 52.037 -0.000 0.000 0.628 48 A CB -0.416 18.584 19.000 -0.000 0.000 0.814 48 A HN 0.383 nan 8.150 nan 0.000 0.444 49 D N 0.300 120.701 120.400 0.001 0.000 2.084 49 D HA -0.046 4.596 4.640 0.003 0.000 0.196 49 D C 2.289 178.588 176.300 -0.002 0.000 0.985 49 D CA 1.680 55.681 54.000 0.001 0.000 0.826 49 D CB -0.643 40.163 40.800 0.010 0.000 0.978 49 D HN 0.394 nan 8.370 nan 0.000 0.456 50 A N 1.042 123.864 122.820 0.003 0.000 1.908 50 A HA -0.224 4.098 4.320 0.003 0.000 0.218 50 A C 2.066 179.646 177.584 -0.006 0.000 1.181 50 A CA 1.655 53.694 52.037 0.003 0.000 0.627 50 A CB -0.627 18.379 19.000 0.009 0.000 0.818 50 A HN 0.222 nan 8.150 nan 0.000 0.445 51 E N -0.483 119.713 120.200 -0.007 0.000 2.150 51 E HA -0.177 4.175 4.350 0.003 0.000 0.193 51 E C 2.028 178.615 176.600 -0.021 0.000 0.985 51 E CA 0.944 57.336 56.400 -0.014 0.000 0.814 51 E CB -0.221 29.472 29.700 -0.010 0.000 0.752 51 E HN 0.770 nan 8.360 nan 0.000 0.466 52 N N 0.792 119.479 118.700 -0.022 0.000 2.080 52 N HA -0.153 4.588 4.740 0.003 0.000 0.189 52 N C 1.993 177.479 175.510 -0.041 0.000 1.036 52 N CA 1.203 54.235 53.050 -0.031 0.000 0.846 52 N CB -0.037 38.432 38.487 -0.030 0.000 1.015 52 N HN 0.076 nan 8.380 nan 0.000 0.423 53 A N 1.497 124.294 122.820 -0.038 0.000 1.986 53 A HA -0.111 4.211 4.320 0.003 0.000 0.220 53 A C 2.346 179.904 177.584 -0.042 0.000 1.171 53 A CA 1.032 53.042 52.037 -0.045 0.000 0.640 53 A CB -0.656 18.327 19.000 -0.028 0.000 0.811 53 A HN 0.377 nan 8.150 nan 0.000 0.451 54 L N -1.238 119.965 121.223 -0.032 0.000 2.072 54 L HA -0.134 4.208 4.340 0.003 0.000 0.205 54 L C 2.540 179.388 176.870 -0.037 0.000 1.079 54 L CA 1.374 56.196 54.840 -0.031 0.000 0.752 54 L CB -0.441 41.601 42.059 -0.027 0.000 0.906 54 L HN 0.433 nan 8.230 nan 0.000 0.436 55 E N -0.532 119.644 120.200 -0.038 0.000 2.150 55 E HA -0.164 4.187 4.350 0.003 0.000 0.193 55 E C 2.223 178.797 176.600 -0.043 0.000 0.985 55 E CA 1.031 57.408 56.400 -0.039 0.000 0.814 55 E CB 0.070 29.749 29.700 -0.035 0.000 0.752 55 E HN 0.260 nan 8.360 nan 0.000 0.466 56 V N 1.158 121.039 119.914 -0.054 0.000 2.379 56 V HA -0.205 3.916 4.120 0.003 0.000 0.245 56 V C 2.310 178.363 176.094 -0.069 0.000 1.044 56 V CA 1.678 63.937 62.300 -0.068 0.000 1.036 56 V CB -0.623 31.144 31.823 -0.094 0.000 0.664 56 V HN 0.300 nan 8.190 nan 0.000 0.453 57 A N -0.647 122.133 122.820 -0.067 0.000 1.940 57 A HA -0.325 3.997 4.320 0.003 0.000 0.219 57 A C 2.256 179.816 177.584 -0.039 0.000 1.176 57 A CA 2.242 54.240 52.037 -0.065 0.000 0.631 57 A CB -0.548 18.419 19.000 -0.055 0.000 0.814 57 A HN 0.601 nan 8.150 nan 0.000 0.446 58 Q N -0.826 118.956 119.800 -0.030 0.000 2.119 58 Q HA -0.056 4.286 4.340 0.003 0.000 0.201 58 Q C 2.092 178.086 176.000 -0.009 0.000 0.972 58 Q CA 1.266 57.060 55.803 -0.015 0.000 0.847 58 Q CB -0.273 28.451 28.738 -0.023 0.000 0.903 58 Q HN 0.620 nan 8.270 nan 0.000 0.433 59 A N 0.047 122.855 122.820 -0.020 0.000 2.066 59 A HA 0.092 4.413 4.320 0.003 0.000 0.218 59 A C 2.004 179.585 177.584 -0.006 0.000 1.157 59 A CA 1.169 53.196 52.037 -0.015 0.000 0.670 59 A CB -0.335 18.649 19.000 -0.026 0.000 0.804 59 A HN 0.468 nan 8.150 nan 0.000 0.453 60 A N -1.484 121.328 122.820 -0.014 0.000 2.178 60 A HA 0.035 4.357 4.320 0.003 0.000 0.211 60 A C 2.015 179.638 177.584 0.064 0.000 1.157 60 A CA 0.991 53.027 52.037 -0.002 0.000 0.780 60 A CB -0.238 18.724 19.000 -0.064 0.000 0.828 60 A HN 0.458 nan 8.150 nan 0.000 0.476 61 Q N 0.702 120.542 119.800 0.067 0.000 2.083 61 Q HA -0.131 4.211 4.340 0.003 0.000 0.198 61 Q C 1.617 177.716 176.000 0.164 0.000 0.969 61 Q CA 1.628 57.516 55.803 0.140 0.000 0.838 61 Q CB -0.108 28.687 28.738 0.096 0.000 0.900 61 Q HN 0.709 nan 8.270 nan 0.000 0.436 62 K N -0.014 120.443 120.400 0.095 0.000 2.057 62 K HA -0.070 4.251 4.320 0.003 0.000 0.207 62 K C 2.073 178.718 176.600 0.074 0.000 1.049 62 K CA 1.252 57.580 56.287 0.068 0.000 0.931 62 K CB -0.175 32.346 32.500 0.036 0.000 0.714 62 K HN 0.176 nan 8.250 nan 0.000 0.440 63 A N 1.080 123.954 122.820 0.091 0.000 2.015 63 A HA -0.168 4.154 4.320 0.003 0.000 0.219 63 A C 1.867 179.543 177.584 0.153 0.000 1.163 63 A CA 0.858 52.950 52.037 0.093 0.000 0.646 63 A CB -0.779 18.271 19.000 0.084 0.000 0.806 63 A HN 0.633 nan 8.150 nan 0.000 0.448 64 W N 0.533 121.826 121.300 -0.012 0.000 2.409 64 W HA -0.071 4.591 4.660 0.003 0.000 0.299 64 W C 2.084 178.600 176.519 -0.006 0.000 1.203 64 W CA 1.329 58.668 57.345 -0.010 0.000 1.298 64 W CB -0.081 29.372 29.460 -0.011 0.000 1.127 64 W HN 0.396 nan 8.180 nan 0.000 0.528 65 A N 0.619 123.429 122.820 -0.016 0.000 2.014 65 A HA -0.167 4.155 4.320 0.003 0.000 0.218 65 A C 1.993 179.490 177.584 -0.145 0.000 1.163 65 A CA 1.287 53.241 52.037 -0.138 0.000 0.652 65 A CB -0.742 18.252 19.000 -0.009 0.000 0.808 65 A HN 0.187 nan 8.150 nan 0.000 0.449 66 K N -0.236 120.115 120.400 -0.082 0.000 2.366 66 K HA 0.097 4.419 4.320 0.003 0.000 0.198 66 K C 0.109 176.650 176.600 -0.098 0.000 1.044 66 K CA -0.007 56.239 56.287 -0.069 0.000 0.973 66 K CB -0.277 32.206 32.500 -0.028 0.000 0.767 66 K HN 0.485 nan 8.250 nan 0.000 0.475 67 L N 2.624 123.756 121.223 -0.151 0.000 2.456 67 L HA 0.003 4.345 4.340 0.003 0.000 0.272 67 L C 0.936 177.681 176.870 -0.209 0.000 1.189 67 L CA -0.190 54.543 54.840 -0.178 0.000 0.846 67 L CB 0.671 42.577 42.059 -0.256 0.000 1.111 67 L HN 0.192 nan 8.230 nan 0.000 0.475 68 T N -0.321 114.143 114.554 -0.150 0.000 2.855 68 T HA 0.125 4.477 4.350 0.003 0.000 0.314 68 T C 1.232 175.830 174.700 -0.169 0.000 1.077 68 T CA -0.111 61.910 62.100 -0.132 0.000 1.095 68 T CB 1.188 70.005 68.868 -0.086 0.000 0.987 68 T HN 0.688 nan 8.240 nan 0.000 0.546 69 A N 1.704 124.441 122.820 -0.137 0.000 1.940 69 A HA -0.088 4.234 4.320 0.003 0.000 0.219 69 A C 2.513 180.032 177.584 -0.108 0.000 1.176 69 A CA 1.819 53.777 52.037 -0.133 0.000 0.631 69 A CB -0.833 18.111 19.000 -0.093 0.000 0.814 69 A HN 0.981 nan 8.150 nan 0.000 0.446 70 R N -0.774 119.676 120.500 -0.082 0.000 2.075 70 R HA -0.105 4.237 4.340 0.003 0.000 0.232 70 R C 2.132 178.399 176.300 -0.056 0.000 1.126 70 R CA 1.965 58.030 56.100 -0.057 0.000 0.963 70 R CB -0.607 29.668 30.300 -0.042 0.000 0.858 70 R HN 0.478 nan 8.270 nan 0.000 0.435 71 T N 0.676 115.185 114.554 -0.076 0.000 2.684 71 T HA -0.150 4.202 4.350 0.003 0.000 0.267 71 T C 1.817 176.472 174.700 -0.076 0.000 1.036 71 T CA 1.559 63.618 62.100 -0.068 0.000 1.148 71 T CB -0.208 68.608 68.868 -0.087 0.000 0.863 71 T HN 0.351 nan 8.240 nan 0.000 0.436 72 R N 0.631 121.024 120.500 -0.178 0.000 2.092 72 R HA -0.068 4.273 4.340 0.003 0.000 0.231 72 R C 2.722 179.018 176.300 -0.007 0.000 1.119 72 R CA 1.190 57.169 56.100 -0.201 0.000 0.970 72 R CB -0.256 29.772 30.300 -0.452 0.000 0.864 72 R HN 0.527 nan 8.270 nan 0.000 0.440 73 Q N 0.691 120.476 119.800 -0.026 0.000 2.050 73 Q HA -0.163 4.179 4.340 0.003 0.000 0.202 73 Q C 1.497 177.523 176.000 0.044 0.000 0.980 73 Q CA 1.456 57.266 55.803 0.011 0.000 0.840 73 Q CB 0.075 28.803 28.738 -0.017 0.000 0.898 73 Q HN 0.266 nan 8.270 nan 0.000 0.424 74 N N 0.262 118.983 118.700 0.034 0.000 2.084 74 N HA -0.147 4.595 4.740 0.003 0.000 0.190 74 N C 1.799 177.363 175.510 0.091 0.000 1.030 74 N CA 1.535 54.616 53.050 0.052 0.000 0.849 74 N CB -0.319 38.189 38.487 0.034 0.000 1.012 74 N HN 0.316 nan 8.380 nan 0.000 0.423 75 M N 0.369 120.039 119.600 0.117 0.000 2.108 75 M HA -0.121 4.361 4.480 0.003 0.000 0.261 75 M C 1.893 178.321 176.300 0.215 0.000 1.066 75 M CA 1.395 56.797 55.300 0.169 0.000 1.107 75 M CB -0.205 32.539 32.600 0.240 0.000 1.356 75 M HN 0.068 nan 8.290 nan 0.000 0.406 76 L N -1.322 120.044 121.223 0.238 0.000 2.179 76 L HA -0.102 4.240 4.340 0.003 0.000 0.208 76 L C 2.553 179.557 176.870 0.223 0.000 1.096 76 L CA 0.688 55.705 54.840 0.295 0.000 0.779 76 L CB -0.526 41.701 42.059 0.279 0.000 0.922 76 L HN 0.214 nan 8.230 nan 0.000 0.443 77 R N -0.319 120.267 120.500 0.143 0.000 2.081 77 R HA -0.120 4.222 4.340 0.003 0.000 0.235 77 R C 2.263 178.623 176.300 0.099 0.000 1.131 77 R CA 1.900 58.057 56.100 0.095 0.000 0.960 77 R CB -0.715 29.623 30.300 0.065 0.000 0.856 77 R HN 0.336 nan 8.270 nan 0.000 0.436 78 T N 1.363 115.991 114.554 0.123 0.000 2.684 78 T HA -0.188 4.164 4.350 0.003 0.000 0.267 78 T C 1.424 176.233 174.700 0.181 0.000 1.036 78 T CA 1.443 63.620 62.100 0.128 0.000 1.148 78 T CB -0.407 68.535 68.868 0.123 0.000 0.863 78 T HN 0.165 nan 8.240 nan 0.000 0.436 79 F N 2.525 122.502 119.950 0.046 0.000 2.126 79 F HA -0.028 4.501 4.527 0.003 0.000 0.299 79 F C 2.447 178.271 175.800 0.039 0.000 1.096 79 F CA 0.733 58.755 58.000 0.037 0.000 1.255 79 F CB -1.021 38.000 39.000 0.036 0.000 0.997 79 F HN 0.158 nan 8.300 nan 0.000 0.479 80 A N 0.217 122.985 122.820 -0.087 0.000 1.972 80 A HA -0.192 4.129 4.320 0.003 0.000 0.219 80 A C 2.101 179.636 177.584 -0.082 0.000 1.169 80 A CA 1.763 53.698 52.037 -0.169 0.000 0.635 80 A CB -0.810 18.156 19.000 -0.057 0.000 0.810 80 A HN 0.484 nan 8.150 nan 0.000 0.446 81 N N -0.041 118.656 118.700 -0.006 0.000 2.216 81 N HA -0.069 4.673 4.740 0.003 0.000 0.183 81 N C 1.531 177.053 175.510 0.020 0.000 1.017 81 N CA 0.995 54.053 53.050 0.013 0.000 0.861 81 N CB -0.179 38.328 38.487 0.034 0.000 0.986 81 N HN 0.388 nan 8.380 nan 0.000 0.428 82 K N 0.885 121.312 120.400 0.044 0.000 2.148 82 K HA 0.024 4.346 4.320 0.003 0.000 0.204 82 K C 2.085 178.705 176.600 0.032 0.000 1.050 82 K CA 0.427 56.754 56.287 0.067 0.000 0.942 82 K CB -0.226 32.356 32.500 0.136 0.000 0.724 82 K HN 0.259 nan 8.250 nan 0.000 0.446 83 I N 0.914 121.453 120.570 -0.052 0.000 2.226 83 I HA -0.267 3.904 4.170 0.003 0.000 0.245 83 I C 2.578 178.683 176.117 -0.019 0.000 1.100 83 I CA 1.170 62.423 61.300 -0.079 0.000 1.374 83 I CB -0.174 37.692 38.000 -0.224 0.000 1.057 83 I HN 0.131 nan 8.210 nan 0.000 0.413 84 R N 1.025 121.515 120.500 -0.017 0.000 2.083 84 R HA -0.186 4.156 4.340 0.003 0.000 0.237 84 R C 1.324 177.648 176.300 0.039 0.000 1.137 84 R CA 1.566 57.672 56.100 0.011 0.000 0.951 84 R CB -0.474 29.829 30.300 0.004 0.000 0.851 84 R HN 0.523 nan 8.270 nan 0.000 0.434 85 E N 0.592 120.819 120.200 0.045 0.000 2.424 85 E HA 0.005 4.357 4.350 0.003 0.000 0.237 85 E C -0.085 176.603 176.600 0.146 0.000 1.381 85 E CA 0.150 56.589 56.400 0.065 0.000 1.587 85 E CB 0.055 29.778 29.700 0.038 0.000 1.398 85 E HN 0.194 nan 8.360 nan 0.000 0.439 86 N N 0.819 119.624 118.700 0.175 0.000 1.958 86 N HA -0.004 4.738 4.740 0.003 0.000 0.223 86 N C 0.795 176.373 175.510 0.113 0.000 1.395 86 N CA -0.115 53.039 53.050 0.174 0.000 0.737 86 N CB 0.433 38.952 38.487 0.054 0.000 1.155 86 N HN 0.172 nan 8.380 nan 0.000 0.529 87 K N 1.266 121.767 120.400 0.168 0.000 2.113 87 K HA -0.200 4.122 4.320 0.003 0.000 0.208 87 K C 1.910 178.575 176.600 0.109 0.000 1.047 87 K CA 1.632 57.985 56.287 0.109 0.000 0.928 87 K CB -0.077 32.480 32.500 0.095 0.000 0.716 87 K HN 0.357 nan 8.250 nan 0.000 0.446 88 H N -0.115 118.956 119.070 0.001 0.000 2.421 88 H HA -0.096 4.462 4.556 0.003 0.000 0.298 88 H C 1.916 177.237 175.328 -0.012 0.000 1.087 88 H CA 1.475 57.522 56.048 -0.003 0.000 1.330 88 H CB -0.481 29.276 29.762 -0.007 0.000 1.388 88 H HN 0.278 nan 8.280 nan 0.000 0.526 89 I N -0.037 120.182 120.570 -0.585 0.000 2.385 89 I HA -0.155 4.017 4.170 0.003 0.000 0.244 89 I C 2.162 178.169 176.117 -0.183 0.000 1.089 89 I CA 0.308 61.360 61.300 -0.413 0.000 1.410 89 I CB -0.049 37.674 38.000 -0.461 0.000 1.117 89 I HN 0.073 nan 8.210 nan 0.000 0.429 90 L N 0.909 122.066 121.223 -0.111 0.000 2.056 90 L HA -0.104 4.238 4.340 0.003 0.000 0.207 90 L C 2.677 179.555 176.870 0.014 0.000 1.078 90 L CA 2.062 56.886 54.840 -0.027 0.000 0.749 90 L CB -1.390 40.671 42.059 0.003 0.000 0.901 90 L HN 0.189 nan 8.230 nan 0.000 0.433 91 A N -0.102 122.731 122.820 0.021 0.000 1.902 91 A HA -0.098 4.224 4.320 0.003 0.000 0.217 91 A C 0.071 177.681 177.584 0.044 0.000 1.181 91 A CA 1.574 53.638 52.037 0.045 0.000 0.623 91 A CB -1.858 17.173 19.000 0.053 0.000 0.818 91 A HN 0.325 nan 8.150 nan 0.000 0.443 92 P HA -0.141 nan 4.420 nan 0.000 0.217 92 P C 1.671 179.008 177.300 0.062 0.000 1.150 92 P CA 1.222 64.343 63.100 0.035 0.000 0.832 92 P CB -0.199 31.505 31.700 0.006 0.000 0.787 93 M N -1.621 118.010 119.600 0.052 0.000 2.108 93 M HA -0.149 4.332 4.480 0.003 0.000 0.261 93 M C 2.011 178.405 176.300 0.157 0.000 1.066 93 M CA 1.793 57.182 55.300 0.147 0.000 1.107 93 M CB -0.905 31.762 32.600 0.112 0.000 1.356 93 M HN -0.046 nan 8.290 nan 0.000 0.406 94 L N -0.878 120.408 121.223 0.104 0.000 2.072 94 L HA -0.139 4.203 4.340 0.003 0.000 0.205 94 L C 2.524 179.432 176.870 0.064 0.000 1.079 94 L CA 0.685 55.579 54.840 0.090 0.000 0.752 94 L CB -0.674 41.437 42.059 0.086 0.000 0.906 94 L HN 0.194 nan 8.230 nan 0.000 0.436 95 V N -0.143 119.807 119.914 0.061 0.000 2.427 95 V HA -0.236 3.886 4.120 0.003 0.000 0.248 95 V C 2.561 178.680 176.094 0.042 0.000 1.051 95 V CA 1.754 64.080 62.300 0.044 0.000 1.048 95 V CB -0.233 31.622 31.823 0.053 0.000 0.666 95 V HN 0.369 nan 8.190 nan 0.000 0.456 96 A N 1.254 124.119 122.820 0.075 0.000 1.859 96 A HA -0.296 4.026 4.320 0.003 0.000 0.217 96 A C 2.190 179.790 177.584 0.027 0.000 1.198 96 A CA 2.330 54.415 52.037 0.079 0.000 0.629 96 A CB -0.826 18.277 19.000 0.172 0.000 0.830 96 A HN 0.880 nan 8.150 nan 0.000 0.446 97 E N -1.013 119.208 120.200 0.034 0.000 2.299 97 E HA -0.135 4.217 4.350 0.003 0.000 0.193 97 E C 1.775 178.356 176.600 -0.032 0.000 0.998 97 E CA 1.234 57.625 56.400 -0.015 0.000 0.851 97 E CB -0.108 29.593 29.700 0.002 0.000 0.795 97 E HN 0.730 nan 8.360 nan 0.000 0.492 98 Q N 0.383 120.174 119.800 -0.014 0.000 2.404 98 Q HA 0.202 4.543 4.340 0.003 0.000 0.262 98 Q C 1.230 177.188 176.000 -0.069 0.000 0.846 98 Q CA 0.970 56.759 55.803 -0.023 0.000 0.978 98 Q CB 0.666 29.429 28.738 0.043 0.000 1.156 98 Q HN 0.234 nan 8.270 nan 0.000 0.548 99 G N 1.825 110.590 108.800 -0.059 0.000 2.171 99 G HA2 -0.304 3.658 3.960 0.003 0.000 0.238 99 G HA3 -0.304 3.658 3.960 0.003 0.000 0.238 99 G C -0.462 174.397 174.900 -0.068 0.000 1.039 99 G CA 0.326 45.374 45.100 -0.087 0.000 0.759 99 G HN 0.613 nan 8.290 nan 0.000 0.501 100 K N -0.014 120.362 120.400 -0.041 0.000 2.098 100 K HA 0.742 5.064 4.320 0.003 0.000 0.257 100 K C 0.953 177.572 176.600 0.032 0.000 0.999 100 K CA -1.102 55.172 56.287 -0.021 0.000 0.924 100 K CB 1.352 33.819 32.500 -0.055 0.000 1.028 100 K HN 0.178 nan 8.250 nan 0.000 0.466 101 L N 2.272 123.534 121.223 0.065 0.000 2.499 101 L HA -0.080 4.262 4.340 0.003 0.000 0.281 101 L C 1.829 178.742 176.870 0.072 0.000 1.234 101 L CA -0.182 54.708 54.840 0.084 0.000 0.839 101 L CB -0.077 42.045 42.059 0.106 0.000 1.104 101 L HN 0.702 nan 8.230 nan 0.000 0.500 102 L N 1.455 122.719 121.223 0.069 0.000 2.079 102 L HA -0.238 4.103 4.340 0.003 0.000 0.210 102 L C 2.708 179.613 176.870 0.058 0.000 1.081 102 L CA 1.894 56.771 54.840 0.062 0.000 0.752 102 L CB -0.033 42.060 42.059 0.057 0.000 0.896 102 L HN 1.021 nan 8.230 nan 0.000 0.433 103 S N -1.495 114.237 115.700 0.054 0.000 2.383 103 S HA -0.123 4.349 4.470 0.003 0.000 0.227 103 S C 1.717 176.347 174.600 0.050 0.000 1.026 103 S CA 1.110 59.335 58.200 0.041 0.000 0.981 103 S CB -0.646 62.567 63.200 0.023 0.000 0.818 103 S HN 0.244 nan 8.310 nan 0.000 0.472 104 V N 2.022 121.979 119.914 0.071 0.000 2.809 104 V HA 0.090 4.211 4.120 0.003 0.000 0.256 104 V C 2.968 179.145 176.094 0.139 0.000 1.080 104 V CA 1.256 63.622 62.300 0.110 0.000 1.102 104 V CB -1.273 30.627 31.823 0.128 0.000 0.705 104 V HN 0.661 nan 8.190 nan 0.000 0.475 105 A N -0.216 122.665 122.820 0.102 0.000 1.970 105 A HA -0.120 4.201 4.320 0.003 0.000 0.216 105 A C 2.171 179.813 177.584 0.095 0.000 1.170 105 A CA 1.263 53.362 52.037 0.104 0.000 0.645 105 A CB -0.260 18.786 19.000 0.078 0.000 0.816 105 A HN 0.549 nan 8.150 nan 0.000 0.447 106 E N -0.479 119.766 120.200 0.075 0.000 2.047 106 E HA -0.142 4.209 4.350 0.003 0.000 0.191 106 E C 2.042 178.677 176.600 0.058 0.000 0.987 106 E CA 1.356 57.792 56.400 0.060 0.000 0.799 106 E CB -0.255 29.473 29.700 0.046 0.000 0.752 106 E HN 0.616 nan 8.360 nan 0.000 0.449 107 M N 0.425 120.060 119.600 0.058 0.000 2.082 107 M HA -0.267 4.214 4.480 0.003 0.000 0.258 107 M C 2.406 178.752 176.300 0.075 0.000 1.069 107 M CA 1.656 56.985 55.300 0.048 0.000 1.102 107 M CB -0.305 32.321 32.600 0.043 0.000 1.336 107 M HN 0.102 nan 8.290 nan 0.000 0.404 108 E N 0.279 120.559 120.200 0.133 0.000 2.118 108 E HA -0.177 4.175 4.350 0.003 0.000 0.195 108 E C 1.729 178.408 176.600 0.131 0.000 0.992 108 E CA 1.590 58.097 56.400 0.179 0.000 0.804 108 E CB 0.058 29.922 29.700 0.274 0.000 0.741 108 E HN 0.333 nan 8.360 nan 0.000 0.458 109 V N 1.679 121.650 119.914 0.095 0.000 2.343 109 V HA -0.236 3.886 4.120 0.003 0.000 0.247 109 V C 1.838 177.960 176.094 0.047 0.000 1.051 109 V CA 2.036 64.375 62.300 0.064 0.000 1.036 109 V CB -0.563 31.291 31.823 0.052 0.000 0.654 109 V HN 0.308 nan 8.190 nan 0.000 0.451 110 D N 0.360 120.786 120.400 0.042 0.000 2.084 110 D HA -0.123 4.519 4.640 0.003 0.000 0.196 110 D C 2.242 178.560 176.300 0.029 0.000 0.985 110 D CA 1.420 55.433 54.000 0.023 0.000 0.826 110 D CB -0.470 40.334 40.800 0.007 0.000 0.978 110 D HN 0.311 nan 8.370 nan 0.000 0.456 111 V N 1.331 121.267 119.914 0.036 0.000 2.392 111 V HA -0.258 3.864 4.120 0.003 0.000 0.249 111 V C 2.506 178.696 176.094 0.161 0.000 1.059 111 V CA 1.978 64.304 62.300 0.043 0.000 1.051 111 V CB -0.956 30.880 31.823 0.022 0.000 0.658 111 V HN 0.230 nan 8.190 nan 0.000 0.455 112 T N 0.473 115.136 114.554 0.183 0.000 2.684 112 T HA -0.212 4.140 4.350 0.003 0.000 0.267 112 T C 2.024 176.789 174.700 0.109 0.000 1.036 112 T CA 1.860 64.071 62.100 0.185 0.000 1.148 112 T CB -0.417 68.500 68.868 0.082 0.000 0.863 112 T HN 0.608 nan 8.240 nan 0.000 0.436 113 A N 1.609 124.452 122.820 0.038 0.000 1.930 113 A HA -0.051 4.271 4.320 0.003 0.000 0.215 113 A C 2.622 180.236 177.584 0.050 0.000 1.176 113 A CA 1.919 53.952 52.037 -0.007 0.000 0.632 113 A CB -1.100 17.881 19.000 -0.032 0.000 0.819 113 A HN 0.625 nan 8.150 nan 0.000 0.445 114 T N -3.171 111.429 114.554 0.076 0.000 2.867 114 T HA -0.102 4.249 4.350 0.003 0.000 0.268 114 T C 1.707 176.494 174.700 0.145 0.000 1.057 114 T CA 1.289 63.461 62.100 0.120 0.000 1.136 114 T CB -0.670 68.262 68.868 0.106 0.000 0.874 114 T HN 0.322 nan 8.240 nan 0.000 0.466 115 F N 1.153 121.092 119.950 -0.018 0.000 2.126 115 F HA 0.081 4.610 4.527 0.003 0.000 0.299 115 F C 2.332 178.097 175.800 -0.058 0.000 1.096 115 F CA 0.942 58.784 58.000 -0.263 0.000 1.255 115 F CB -0.236 38.608 39.000 -0.260 0.000 0.997 115 F HN 0.115 nan 8.300 nan 0.000 0.479 116 I N -0.494 120.176 120.570 0.168 0.000 2.286 116 I HA -0.264 3.908 4.170 0.003 0.000 0.245 116 I C 1.859 178.041 176.117 0.109 0.000 1.104 116 I CA 1.035 62.399 61.300 0.107 0.000 1.397 116 I CB -0.453 37.561 38.000 0.025 0.000 1.072 116 I HN 0.055 nan 8.210 nan 0.000 0.417 117 D N 0.292 120.756 120.400 0.107 0.000 2.117 117 D HA -0.243 4.399 4.640 0.003 0.000 0.197 117 D C 1.923 178.290 176.300 0.111 0.000 0.987 117 D CA 1.369 55.426 54.000 0.095 0.000 0.829 117 D CB -0.329 40.525 40.800 0.090 0.000 0.961 117 D HN 0.346 nan 8.370 nan 0.000 0.460 118 Y N 1.292 121.636 120.300 0.074 0.000 2.165 118 Y HA -0.153 4.399 4.550 0.003 0.000 0.286 118 Y C 2.294 178.230 175.900 0.060 0.000 1.155 118 Y CA 2.121 60.269 58.100 0.080 0.000 1.164 118 Y CB -0.468 38.062 38.460 0.117 0.000 0.978 118 Y HN -0.041 nan 8.280 nan 0.000 0.513 119 G N -0.868 107.984 108.800 0.087 0.000 2.418 119 G HA2 -0.284 3.678 3.960 0.003 0.000 0.217 119 G HA3 -0.284 3.678 3.960 0.003 0.000 0.217 119 G C 1.707 176.568 174.900 -0.065 0.000 1.158 119 G CA 1.124 46.225 45.100 0.001 0.000 0.771 119 G HN 0.536 nan 8.290 nan 0.000 0.545 120 C N 0.780 120.069 119.300 -0.018 0.000 2.413 120 C HA -0.032 4.430 4.460 0.003 0.000 0.277 120 C C 2.513 177.458 174.990 -0.076 0.000 1.265 120 C CA 0.749 59.754 59.018 -0.021 0.000 1.752 120 C CB -0.636 27.117 27.740 0.021 0.000 1.998 120 C HN 0.439 nan 8.230 nan 0.000 0.489 121 D N 0.720 121.041 120.400 -0.133 0.000 2.221 121 D HA -0.094 4.548 4.640 0.003 0.000 0.204 121 D C 1.696 177.881 176.300 -0.192 0.000 0.982 121 D CA 1.040 54.940 54.000 -0.166 0.000 0.857 121 D CB -0.571 40.095 40.800 -0.224 0.000 0.934 121 D HN 0.591 nan 8.370 nan 0.000 0.475 122 N N -0.009 118.550 118.700 -0.234 0.000 2.336 122 N HA 0.083 4.824 4.740 0.003 0.000 0.189 122 N C 1.516 176.959 175.510 -0.111 0.000 1.113 122 N CA 0.186 53.122 53.050 -0.191 0.000 0.858 122 N CB 0.571 38.924 38.487 -0.222 0.000 0.970 122 N HN 0.057 nan 8.380 nan 0.000 0.471 123 A N 1.068 123.833 122.820 -0.091 0.000 1.908 123 A HA -0.064 4.258 4.320 0.003 0.000 0.218 123 A C 1.962 179.508 177.584 -0.063 0.000 1.181 123 A CA 1.041 53.037 52.037 -0.069 0.000 0.627 123 A CB -0.331 18.633 19.000 -0.060 0.000 0.818 123 A HN 0.222 nan 8.150 nan 0.000 0.445 124 L N -0.569 120.617 121.223 -0.061 0.000 2.640 124 L HA 0.063 4.405 4.340 0.003 0.000 0.230 124 L C 1.998 178.838 176.870 -0.050 0.000 1.123 124 L CA 0.985 55.794 54.840 -0.051 0.000 0.900 124 L CB 0.034 42.066 42.059 -0.045 0.000 1.146 124 L HN 0.591 nan 8.230 nan 0.000 0.484 125 T N -3.820 110.698 114.554 -0.059 0.000 2.971 125 T HA 0.279 4.631 4.350 0.003 0.000 0.252 125 T C 0.779 175.446 174.700 -0.056 0.000 1.022 125 T CA -0.214 61.851 62.100 -0.058 0.000 0.980 125 T CB 0.050 68.877 68.868 -0.069 0.000 1.044 125 T HN -0.029 nan 8.240 nan 0.000 0.501 126 I N 3.357 123.894 120.570 -0.054 0.000 2.683 126 I HA 0.178 4.350 4.170 0.003 0.000 0.286 126 I C 0.324 176.420 176.117 -0.034 0.000 1.175 126 I CA 0.263 61.538 61.300 -0.042 0.000 1.429 126 I CB 0.314 38.296 38.000 -0.030 0.000 1.371 126 I HN 0.484 nan 8.210 nan 0.000 0.569 127 E N 4.960 125.140 120.200 -0.033 0.000 2.356 127 E HA 0.657 5.009 4.350 0.003 0.000 0.275 127 E C -0.651 175.928 176.600 -0.034 0.000 0.904 127 E CA -1.073 55.307 56.400 -0.033 0.000 0.757 127 E CB 1.729 31.406 29.700 -0.039 0.000 1.232 127 E HN 0.544 nan 8.360 nan 0.000 0.442 128 G N 1.100 109.874 108.800 -0.044 0.000 2.532 128 G HA2 0.410 4.372 3.960 0.003 0.000 0.291 128 G HA3 0.410 4.372 3.960 0.003 0.000 0.291 128 G C -0.849 174.002 174.900 -0.080 0.000 1.349 128 G CA -0.454 44.607 45.100 -0.065 0.000 1.038 128 G HN 0.560 nan 8.290 nan 0.000 0.518 129 D N -0.559 119.780 120.400 -0.102 0.000 2.481 129 D HA 0.465 5.107 4.640 0.003 0.000 0.244 129 D C -0.492 175.721 176.300 -0.145 0.000 1.057 129 D CA -0.059 53.879 54.000 -0.103 0.000 0.848 129 D CB 2.377 43.125 40.800 -0.087 0.000 1.388 129 D HN 0.189 nan 8.370 nan 0.000 0.475 130 I N 1.882 122.353 120.570 -0.164 0.000 2.362 130 I HA 0.370 4.542 4.170 0.003 0.000 0.289 130 I C -0.366 175.599 176.117 -0.255 0.000 0.994 130 I CA -0.557 60.572 61.300 -0.284 0.000 1.158 130 I CB 1.173 39.018 38.000 -0.259 0.000 1.315 130 I HN 0.041 nan 8.210 nan 0.000 0.451 131 L N 7.421 128.457 121.223 -0.313 0.000 2.323 131 L HA 0.658 4.999 4.340 0.003 0.000 0.265 131 L C -2.299 174.445 176.870 -0.210 0.000 1.012 131 L CA -1.750 52.959 54.840 -0.218 0.000 0.820 131 L CB 2.211 44.158 42.059 -0.188 0.000 1.334 131 L HN 0.361 nan 8.230 nan 0.000 0.427 132 P HA 0.127 nan 4.420 nan 0.000 0.276 132 P C -1.071 176.182 177.300 -0.080 0.000 1.244 132 P CA -0.361 62.679 63.100 -0.100 0.000 0.801 132 P CB 1.609 33.271 31.700 -0.063 0.000 1.006 133 S N 0.119 115.791 115.700 -0.047 0.000 2.537 133 S HA 0.259 4.731 4.470 0.003 0.000 0.301 133 S C 0.587 175.199 174.600 0.019 0.000 1.092 133 S CA -0.567 57.636 58.200 0.004 0.000 1.048 133 S CB 0.487 63.708 63.200 0.034 0.000 1.053 133 S HN 0.204 nan 8.310 nan 0.000 0.501 134 D N 2.405 122.829 120.400 0.041 0.000 2.378 134 D HA 0.065 4.707 4.640 0.003 0.000 0.222 134 D C -0.107 176.212 176.300 0.032 0.000 0.980 134 D CA 0.894 54.914 54.000 0.033 0.000 0.907 134 D CB -0.238 40.584 40.800 0.038 0.000 0.899 134 D HN 0.561 nan 8.370 nan 0.000 0.527 135 N N 0.241 118.967 118.700 0.043 0.000 2.456 135 N HA 0.251 4.992 4.740 0.003 0.000 0.296 135 N C -0.289 175.238 175.510 0.029 0.000 1.102 135 N CA -0.627 52.444 53.050 0.036 0.000 0.924 135 N CB 1.514 40.029 38.487 0.046 0.000 1.186 135 N HN -0.112 nan 8.380 nan 0.000 0.492 136 Q N 0.723 120.536 119.800 0.022 0.000 2.417 136 Q HA 0.031 4.372 4.340 0.003 0.000 0.241 136 Q C -0.537 175.477 176.000 0.024 0.000 1.008 136 Q CA 0.091 55.904 55.803 0.017 0.000 0.901 136 Q CB 0.486 29.232 28.738 0.013 0.000 1.259 136 Q HN 0.593 nan 8.270 nan 0.000 0.489 137 D N 0.834 121.246 120.400 0.021 0.000 2.751 137 D HA -0.208 4.434 4.640 0.003 0.000 0.233 137 D C -0.478 175.847 176.300 0.042 0.000 1.149 137 D CA 1.273 55.290 54.000 0.028 0.000 0.682 137 D CB -0.870 39.947 40.800 0.028 0.000 1.068 137 D HN 0.596 nan 8.370 nan 0.000 0.429 138 E N -0.220 120.004 120.200 0.040 0.000 2.331 138 E HA 0.498 4.850 4.350 0.003 0.000 0.275 138 E C -1.057 175.553 176.600 0.017 0.000 0.895 138 E CA -0.775 55.660 56.400 0.059 0.000 0.753 138 E CB 1.842 31.590 29.700 0.081 0.000 1.216 138 E HN -0.064 nan 8.360 nan 0.000 0.434 139 K N 3.093 123.500 120.400 0.010 0.000 2.385 139 K HA 0.551 4.873 4.320 0.003 0.000 0.248 139 K C -0.834 175.626 176.600 -0.233 0.000 0.955 139 K CA -0.742 55.447 56.287 -0.163 0.000 0.816 139 K CB 1.860 34.200 32.500 -0.266 0.000 1.250 139 K HN 0.419 nan 8.250 nan 0.000 0.434 140 I N 2.476 122.796 120.570 -0.417 0.000 2.404 140 I HA 0.341 4.513 4.170 0.003 0.000 0.293 140 I C -1.121 174.676 176.117 -0.532 0.000 0.992 140 I CA -0.904 60.127 61.300 -0.449 0.000 1.149 140 I CB 0.863 38.548 38.000 -0.524 0.000 1.315 140 I HN 0.433 nan 8.210 nan 0.000 0.446 141 Y N 5.836 126.019 120.300 -0.195 0.000 2.409 141 Y HA 0.597 5.149 4.550 0.003 0.000 0.343 141 Y C -0.165 175.644 175.900 -0.152 0.000 0.973 141 Y CA -0.853 57.138 58.100 -0.182 0.000 1.064 141 Y CB 1.641 40.013 38.460 -0.147 0.000 1.207 141 Y HN 0.313 nan 8.280 nan 0.000 0.452 142 I N 4.371 124.910 120.570 -0.051 0.000 2.390 142 I HA 0.254 4.426 4.170 0.003 0.000 0.283 142 I C -0.341 175.743 176.117 -0.055 0.000 1.016 142 I CA -0.515 60.780 61.300 -0.009 0.000 1.151 142 I CB 0.459 38.447 38.000 -0.020 0.000 1.293 142 I HN 0.612 nan 8.210 nan 0.000 0.458 143 H N 5.705 124.803 119.070 0.046 0.000 2.505 143 H HA 0.407 4.965 4.556 0.003 0.000 0.351 143 H C -0.479 174.863 175.328 0.024 0.000 1.151 143 H CA -0.487 55.579 56.048 0.030 0.000 1.339 143 H CB 1.553 31.324 29.762 0.015 0.000 1.483 143 H HN 0.381 nan 8.280 nan 0.000 0.558 144 K N 2.081 122.558 120.400 0.128 0.000 2.307 144 K HA 0.402 4.724 4.320 0.003 0.000 0.263 144 K C -0.574 176.075 176.600 0.081 0.000 0.973 144 K CA -0.638 55.700 56.287 0.086 0.000 0.846 144 K CB 2.078 34.609 32.500 0.053 0.000 1.100 144 K HN 0.367 nan 8.250 nan 0.000 0.438 145 V N 0.135 120.093 119.914 0.073 0.000 3.040 145 V HA 0.613 4.735 4.120 0.003 0.000 0.312 145 V C -2.882 173.250 176.094 0.064 0.000 1.115 145 V CA -3.000 59.333 62.300 0.055 0.000 0.998 145 V CB 1.807 33.656 31.823 0.042 0.000 1.042 145 V HN 0.483 nan 8.190 nan 0.000 0.433 146 P HA 0.363 nan 4.420 nan 0.000 0.269 146 P C 0.393 177.745 177.300 0.087 0.000 1.215 146 P CA -0.153 63.000 63.100 0.088 0.000 0.780 146 P CB 0.542 32.296 31.700 0.090 0.000 0.898 147 R N 1.435 121.999 120.500 0.107 0.000 2.073 147 R HA 0.117 4.459 4.340 0.003 0.000 0.229 147 R C 1.306 177.649 176.300 0.071 0.000 1.120 147 R CA 1.368 57.520 56.100 0.086 0.000 0.967 147 R CB -0.570 29.785 30.300 0.092 0.000 0.862 147 R HN 0.804 nan 8.270 nan 0.000 0.436 148 G N -0.355 108.497 108.800 0.087 0.000 2.253 148 G HA2 -0.183 3.779 3.960 0.003 0.000 0.190 148 G HA3 -0.183 3.779 3.960 0.003 0.000 0.190 148 G C -1.054 173.891 174.900 0.074 0.000 1.274 148 G CA -0.491 44.650 45.100 0.070 0.000 1.275 148 G HN 0.004 nan 8.290 nan 0.000 0.518 149 V N 1.285 121.226 119.914 0.044 0.000 2.488 149 V HA 0.525 4.647 4.120 0.003 0.000 0.277 149 V C 0.634 176.758 176.094 0.052 0.000 1.046 149 V CA -0.434 61.887 62.300 0.036 0.000 0.986 149 V CB 1.074 32.901 31.823 0.006 0.000 0.989 149 V HN 0.694 nan 8.190 nan 0.000 0.475 150 V N 5.913 125.871 119.914 0.074 0.000 2.472 150 V HA 0.354 4.475 4.120 0.003 0.000 0.290 150 V C 0.081 176.218 176.094 0.071 0.000 1.037 150 V CA -0.540 61.819 62.300 0.098 0.000 0.908 150 V CB 1.983 33.916 31.823 0.185 0.000 0.985 150 V HN 0.613 nan 8.190 nan 0.000 0.454 151 V N 4.089 124.040 119.914 0.062 0.000 2.383 151 V HA 0.624 4.746 4.120 0.003 0.000 0.275 151 V C 0.748 176.886 176.094 0.072 0.000 1.036 151 V CA -0.100 62.232 62.300 0.053 0.000 0.889 151 V CB 1.416 33.260 31.823 0.035 0.000 0.985 151 V HN 0.983 nan 8.190 nan 0.000 0.459 152 G N 5.253 114.096 108.800 0.072 0.000 2.417 152 G HA2 0.724 4.686 3.960 0.003 0.000 0.320 152 G HA3 0.724 4.686 3.960 0.003 0.000 0.320 152 G C -0.994 173.943 174.900 0.061 0.000 1.204 152 G CA -0.443 44.703 45.100 0.077 0.000 0.923 152 G HN 0.608 nan 8.290 nan 0.000 0.466 153 I N 2.095 122.700 120.570 0.058 0.000 2.436 153 I HA 0.387 4.559 4.170 0.003 0.000 0.289 153 I C 0.464 176.612 176.117 0.051 0.000 1.010 153 I CA -0.597 60.735 61.300 0.054 0.000 1.098 153 I CB 2.509 40.537 38.000 0.048 0.000 1.266 153 I HN 0.588 nan 8.210 nan 0.000 0.434 154 T N 2.630 117.218 114.554 0.056 0.000 2.950 154 T HA 0.868 5.220 4.350 0.003 0.000 0.288 154 T C 0.017 174.748 174.700 0.051 0.000 1.035 154 T CA -0.754 61.377 62.100 0.052 0.000 1.028 154 T CB 1.963 70.868 68.868 0.063 0.000 1.109 154 T HN 0.561 nan 8.240 nan 0.000 0.514 155 A N 1.038 123.870 122.820 0.021 0.000 2.257 155 A HA 0.595 4.916 4.320 0.003 0.000 0.290 155 A C 1.088 178.698 177.584 0.043 0.000 1.201 155 A CA -0.830 51.176 52.037 -0.051 0.000 0.863 155 A CB 0.208 19.093 19.000 -0.192 0.000 1.256 155 A HN 1.112 nan 8.150 nan 0.000 0.506 156 W N -0.072 121.279 121.300 0.085 0.000 2.872 156 W HA -0.003 4.659 4.660 0.003 0.000 0.266 156 W C 1.151 177.695 176.519 0.041 0.000 1.276 156 W CA 0.703 58.085 57.345 0.061 0.000 1.471 156 W CB -0.671 28.813 29.460 0.040 0.000 1.071 156 W HN 0.824 nan 8.180 nan 0.000 0.619 157 N N 2.056 120.721 118.700 -0.059 0.000 2.188 157 N HA -0.192 4.550 4.740 0.003 0.000 0.184 157 N C -0.201 175.112 175.510 -0.329 0.000 1.018 157 N CA 0.976 53.970 53.050 -0.093 0.000 0.858 157 N CB -1.107 37.278 38.487 -0.170 0.000 0.989 157 N HN 0.121 nan 8.380 nan 0.000 0.426 158 F N -0.326 119.672 119.950 0.080 0.000 2.931 158 F HA 0.417 4.946 4.527 0.003 0.000 0.375 158 F C -1.874 173.977 175.800 0.085 0.000 1.243 158 F CA -1.928 56.127 58.000 0.091 0.000 1.206 158 F CB 2.290 41.340 39.000 0.084 0.000 1.643 158 F HN -0.150 nan 8.300 nan 0.000 0.593 159 P HA -0.143 nan 4.420 nan 0.000 0.216 159 P C 1.850 179.240 177.300 0.150 0.000 1.153 159 P CA 1.011 64.211 63.100 0.167 0.000 0.848 159 P CB 0.669 32.461 31.700 0.152 0.000 0.787 160 L N -0.944 120.377 121.223 0.163 0.000 2.127 160 L HA 0.125 4.467 4.340 0.003 0.000 0.203 160 L C 2.373 179.321 176.870 0.129 0.000 1.080 160 L CA 1.330 56.248 54.840 0.130 0.000 0.768 160 L CB -1.327 40.805 42.059 0.121 0.000 0.924 160 L HN -0.156 nan 8.230 nan 0.000 0.444 161 A N -0.462 122.473 122.820 0.192 0.000 1.908 161 A HA -0.201 4.121 4.320 0.003 0.000 0.218 161 A C 2.221 179.830 177.584 0.041 0.000 1.181 161 A CA 1.941 54.107 52.037 0.215 0.000 0.627 161 A CB -0.921 18.235 19.000 0.261 0.000 0.818 161 A HN 0.434 nan 8.150 nan 0.000 0.445 162 L N -0.970 120.276 121.223 0.039 0.000 2.131 162 L HA -0.191 4.150 4.340 0.003 0.000 0.210 162 L C 3.032 179.845 176.870 -0.094 0.000 1.092 162 L CA 0.918 55.718 54.840 -0.065 0.000 0.759 162 L CB -0.452 41.627 42.059 0.032 0.000 0.903 162 L HN 0.469 nan 8.230 nan 0.000 0.435 163 A N 0.087 122.897 122.820 -0.017 0.000 1.897 163 A HA -0.052 4.269 4.320 0.003 0.000 0.215 163 A C 2.401 179.964 177.584 -0.035 0.000 1.181 163 A CA 1.443 53.480 52.037 0.000 0.000 0.620 163 A CB -1.077 17.955 19.000 0.054 0.000 0.821 163 A HN 0.410 nan 8.150 nan 0.000 0.443 164 G N -0.578 108.193 108.800 -0.048 0.000 2.418 164 G HA2 -0.251 3.710 3.960 0.003 0.000 0.217 164 G HA3 -0.251 3.710 3.960 0.003 0.000 0.217 164 G C 1.690 176.470 174.900 -0.200 0.000 1.158 164 G CA 0.960 46.036 45.100 -0.039 0.000 0.771 164 G HN 0.536 nan 8.290 nan 0.000 0.545 165 R N 0.355 120.457 120.500 -0.664 0.000 2.170 165 R HA -0.085 4.257 4.340 0.003 0.000 0.242 165 R C 2.199 178.261 176.300 -0.397 0.000 1.145 165 R CA 1.667 57.092 56.100 -1.124 0.000 0.984 165 R CB -0.070 29.440 30.300 -1.317 0.000 0.869 165 R HN 0.335 nan 8.270 nan 0.000 0.455 166 K N -0.966 119.310 120.400 -0.206 0.000 2.306 166 K HA 0.138 4.460 4.320 0.003 0.000 0.200 166 K C 1.986 178.537 176.600 -0.082 0.000 1.083 166 K CA 0.313 56.562 56.287 -0.062 0.000 0.959 166 K CB 0.156 32.669 32.500 0.021 0.000 0.994 166 K HN 0.049 nan 8.250 nan 0.000 0.492 167 I N 1.545 122.095 120.570 -0.034 0.000 2.163 167 I HA -0.254 3.918 4.170 0.003 0.000 0.243 167 I C 2.393 178.513 176.117 0.005 0.000 1.085 167 I CA 1.590 62.903 61.300 0.021 0.000 1.347 167 I CB -0.685 37.393 38.000 0.131 0.000 1.044 167 I HN 0.298 nan 8.210 nan 0.000 0.408 168 G N 1.946 110.746 108.800 -0.000 0.000 2.679 168 G HA2 -0.235 3.726 3.960 0.003 0.000 0.217 168 G HA3 -0.235 3.726 3.960 0.003 0.000 0.217 168 G C -0.497 174.375 174.900 -0.046 0.000 1.267 168 G CA 1.227 46.343 45.100 0.027 0.000 0.799 168 G HN 0.298 nan 8.290 nan 0.000 0.606 169 P HA 0.002 nan 4.420 nan 0.000 0.219 169 P C 1.986 178.937 177.300 -0.581 0.000 1.150 169 P CA 1.968 64.871 63.100 -0.329 0.000 0.814 169 P CB -0.161 31.305 31.700 -0.391 0.000 0.787 170 A N 0.402 122.789 122.820 -0.722 0.000 1.855 170 A HA -0.112 4.210 4.320 0.003 0.000 0.215 170 A C 2.422 179.988 177.584 -0.030 0.000 1.191 170 A CA 1.439 53.216 52.037 -0.433 0.000 0.613 170 A CB -1.508 17.387 19.000 -0.174 0.000 0.829 170 A HN 0.112 nan 8.150 nan 0.000 0.442 171 L N -1.259 119.996 121.223 0.053 0.000 2.095 171 L HA -0.053 4.289 4.340 0.003 0.000 0.204 171 L C 2.457 179.562 176.870 0.392 0.000 1.080 171 L CA 0.768 55.787 54.840 0.299 0.000 0.759 171 L CB -0.513 41.685 42.059 0.231 0.000 0.914 171 L HN 0.358 nan 8.230 nan 0.000 0.439 172 I N 0.777 121.458 120.570 0.185 0.000 2.335 172 I HA -0.272 3.900 4.170 0.003 0.000 0.251 172 I C 2.307 178.438 176.117 0.024 0.000 1.129 172 I CA 1.863 63.217 61.300 0.089 0.000 1.402 172 I CB -0.272 37.749 38.000 0.034 0.000 1.069 172 I HN 0.328 nan 8.210 nan 0.000 0.424 173 T N -2.286 112.299 114.554 0.052 0.000 3.169 173 T HA 0.358 4.710 4.350 0.003 0.000 0.250 173 T C 1.442 176.179 174.700 0.060 0.000 1.111 173 T CA 0.261 62.391 62.100 0.049 0.000 1.010 173 T CB -0.448 68.474 68.868 0.090 0.000 0.984 173 T HN 0.599 nan 8.240 nan 0.000 0.537 174 G N 1.552 110.398 108.800 0.077 0.000 2.141 174 G HA2 -0.239 3.722 3.960 0.003 0.000 0.242 174 G HA3 -0.239 3.722 3.960 0.003 0.000 0.242 174 G C -0.090 174.994 174.900 0.308 0.000 0.982 174 G CA -0.341 44.784 45.100 0.042 0.000 0.662 174 G HN 0.593 nan 8.290 nan 0.000 0.527 175 N N 1.074 119.970 118.700 0.328 0.000 2.513 175 N HA 0.491 5.233 4.740 0.003 0.000 0.274 175 N C 0.743 176.402 175.510 0.248 0.000 1.189 175 N CA 0.774 53.985 53.050 0.268 0.000 0.975 175 N CB 1.088 39.697 38.487 0.204 0.000 1.157 175 N HN 0.541 nan 8.380 nan 0.000 0.465 176 T N -2.087 112.525 114.554 0.096 0.000 2.912 176 T HA 0.642 4.993 4.350 0.003 0.000 0.280 176 T C 0.103 174.784 174.700 -0.032 0.000 0.989 176 T CA -0.860 61.188 62.100 -0.087 0.000 0.995 176 T CB 1.517 70.313 68.868 -0.120 0.000 1.077 176 T HN 0.482 nan 8.240 nan 0.000 0.531 177 M N 1.654 121.210 119.600 -0.074 0.000 2.393 177 M HA 0.601 5.083 4.480 0.003 0.000 0.299 177 M C -2.074 174.212 176.300 -0.024 0.000 1.103 177 M CA -0.881 54.407 55.300 -0.021 0.000 0.910 177 M CB 2.007 34.601 32.600 -0.010 0.000 1.659 177 M HN 0.524 nan 8.290 nan 0.000 0.445 178 V N 5.361 125.277 119.914 0.003 0.000 2.357 178 V HA 0.443 4.565 4.120 0.003 0.000 0.284 178 V C -0.796 175.317 176.094 0.031 0.000 1.018 178 V CA -0.753 61.553 62.300 0.010 0.000 0.841 178 V CB 1.189 33.015 31.823 0.004 0.000 0.991 178 V HN 0.760 nan 8.190 nan 0.000 0.437 179 L N 5.323 126.570 121.223 0.040 0.000 2.295 179 L HA 0.710 5.052 4.340 0.003 0.000 0.285 179 L C -0.298 176.608 176.870 0.060 0.000 1.035 179 L CA -0.328 54.544 54.840 0.053 0.000 0.806 179 L CB 1.380 43.474 42.059 0.058 0.000 1.214 179 L HN 0.665 nan 8.230 nan 0.000 0.426 180 K N 7.095 127.531 120.400 0.061 0.000 2.559 180 K HA 0.624 4.946 4.320 0.003 0.000 0.249 180 K C -2.779 173.864 176.600 0.072 0.000 0.958 180 K CA -1.857 54.468 56.287 0.064 0.000 0.901 180 K CB 1.368 33.901 32.500 0.055 0.000 1.124 180 K HN 0.328 nan 8.250 nan 0.000 0.437 181 P HA 0.120 nan 4.420 nan 0.000 0.276 181 P C -0.604 176.755 177.300 0.098 0.000 1.252 181 P CA -0.433 62.723 63.100 0.093 0.000 0.802 181 P CB 0.522 32.282 31.700 0.100 0.000 1.035 182 T N -1.946 112.683 114.554 0.126 0.000 2.932 182 T HA -0.010 4.341 4.350 0.003 0.000 0.312 182 T C 1.476 176.237 174.700 0.101 0.000 1.071 182 T CA -0.128 62.057 62.100 0.141 0.000 1.128 182 T CB -0.003 69.012 68.868 0.245 0.000 0.984 182 T HN 0.569 nan 8.240 nan 0.000 0.549 183 Q N 1.239 121.084 119.800 0.074 0.000 2.291 183 Q HA -0.150 4.191 4.340 0.003 0.000 0.206 183 Q C 1.746 177.754 176.000 0.013 0.000 0.976 183 Q CA 1.464 57.290 55.803 0.039 0.000 0.875 183 Q CB -0.212 28.542 28.738 0.026 0.000 0.927 183 Q HN 0.895 nan 8.270 nan 0.000 0.450 184 E N 1.184 121.395 120.200 0.017 0.000 2.046 184 E HA -0.071 4.281 4.350 0.003 0.000 0.190 184 E C 0.343 176.933 176.600 -0.016 0.000 0.982 184 E CA 1.503 57.878 56.400 -0.043 0.000 0.800 184 E CB 0.362 29.982 29.700 -0.133 0.000 0.756 184 E HN 0.513 nan 8.360 nan 0.000 0.449 185 T N -1.257 113.336 114.554 0.065 0.000 3.327 185 T HA 0.285 4.636 4.350 0.003 0.000 0.373 185 T C -2.474 172.283 174.700 0.095 0.000 1.589 185 T CA -1.640 60.510 62.100 0.082 0.000 1.497 185 T CB 1.486 70.443 68.868 0.148 0.000 1.032 185 T HN -0.092 nan 8.240 nan 0.000 0.640 186 P HA 0.353 nan 4.420 nan 0.000 0.282 186 P C 1.161 178.519 177.300 0.096 0.000 1.327 186 P CA -0.300 62.848 63.100 0.080 0.000 0.949 186 P CB 0.498 32.234 31.700 0.060 0.000 1.445 187 L N -0.200 121.082 121.223 0.097 0.000 2.084 187 L HA 0.092 4.434 4.340 0.003 0.000 0.202 187 L C 2.693 179.694 176.870 0.219 0.000 1.074 187 L CA 1.455 56.393 54.840 0.164 0.000 0.757 187 L CB -1.258 40.880 42.059 0.132 0.000 0.918 187 L HN -0.123 nan 8.230 nan 0.000 0.444 188 A N -0.172 122.765 122.820 0.194 0.000 1.908 188 A HA -0.210 4.112 4.320 0.003 0.000 0.218 188 A C 2.352 180.010 177.584 0.123 0.000 1.181 188 A CA 2.438 54.563 52.037 0.147 0.000 0.627 188 A CB -1.005 18.072 19.000 0.128 0.000 0.818 188 A HN 0.408 nan 8.150 nan 0.000 0.445 189 T N -0.206 114.421 114.554 0.123 0.000 2.788 189 T HA -0.102 4.250 4.350 0.003 0.000 0.268 189 T C 1.910 176.679 174.700 0.115 0.000 1.044 189 T CA 1.872 64.040 62.100 0.112 0.000 1.139 189 T CB -0.494 68.439 68.868 0.108 0.000 0.867 189 T HN 0.574 nan 8.240 nan 0.000 0.454 190 T N 1.867 116.507 114.554 0.143 0.000 2.915 190 T HA -0.033 4.319 4.350 0.003 0.000 0.269 190 T C 1.868 176.700 174.700 0.220 0.000 1.071 190 T CA 0.637 62.852 62.100 0.192 0.000 1.132 190 T CB -0.129 68.871 68.868 0.221 0.000 0.878 190 T HN 0.267 nan 8.240 nan 0.000 0.479 191 E N 1.350 121.646 120.200 0.159 0.000 2.160 191 E HA -0.038 4.314 4.350 0.003 0.000 0.195 191 E C 2.163 178.811 176.600 0.080 0.000 0.991 191 E CA 0.605 57.077 56.400 0.120 0.000 0.810 191 E CB -0.390 29.351 29.700 0.068 0.000 0.742 191 E HN 0.513 nan 8.360 nan 0.000 0.466 192 L N -0.161 121.098 121.223 0.060 0.000 2.189 192 L HA -0.164 4.178 4.340 0.003 0.000 0.214 192 L C 2.413 179.199 176.870 -0.140 0.000 1.097 192 L CA 1.180 56.063 54.840 0.072 0.000 0.764 192 L CB -0.782 41.370 42.059 0.155 0.000 0.900 192 L HN 0.175 nan 8.230 nan 0.000 0.436 193 G N -0.312 108.208 108.800 -0.466 0.000 2.418 193 G HA2 -0.269 3.693 3.960 0.003 0.000 0.217 193 G HA3 -0.269 3.693 3.960 0.003 0.000 0.217 193 G C 1.773 176.032 174.900 -1.068 0.000 1.158 193 G CA 0.526 44.702 45.100 -1.540 0.000 0.771 193 G HN 0.253 nan 8.290 nan 0.000 0.545 194 R N 0.043 120.369 120.500 -0.291 0.000 2.070 194 R HA -0.003 4.339 4.340 0.003 0.000 0.233 194 R C 2.638 178.928 176.300 -0.017 0.000 1.137 194 R CA 1.389 57.498 56.100 0.015 0.000 0.945 194 R CB -0.386 30.006 30.300 0.154 0.000 0.845 194 R HN 0.417 nan 8.270 nan 0.000 0.430 195 I N 0.837 121.419 120.570 0.021 0.000 2.208 195 I HA -0.279 3.893 4.170 0.003 0.000 0.245 195 I C 2.598 178.793 176.117 0.129 0.000 1.097 195 I CA 1.440 62.818 61.300 0.128 0.000 1.363 195 I CB -0.393 37.732 38.000 0.208 0.000 1.051 195 I HN 0.289 nan 8.210 nan 0.000 0.413 196 A N 0.212 122.971 122.820 -0.102 0.000 1.933 196 A HA -0.215 4.106 4.320 0.003 0.000 0.218 196 A C 2.404 179.846 177.584 -0.237 0.000 1.175 196 A CA 1.499 53.231 52.037 -0.508 0.000 0.628 196 A CB -0.404 18.102 19.000 -0.824 0.000 0.814 196 A HN 0.235 nan 8.150 nan 0.000 0.444 197 K N -0.188 120.140 120.400 -0.120 0.000 2.025 197 K HA -0.119 4.203 4.320 0.003 0.000 0.207 197 K C 1.889 178.500 176.600 0.018 0.000 1.049 197 K CA 1.577 57.866 56.287 0.003 0.000 0.933 197 K CB -0.225 32.332 32.500 0.094 0.000 0.714 197 K HN 0.671 nan 8.250 nan 0.000 0.438 198 E N 0.034 120.253 120.200 0.032 0.000 2.110 198 E HA -0.150 4.202 4.350 0.003 0.000 0.193 198 E C 1.747 178.380 176.600 0.056 0.000 0.988 198 E CA 0.973 57.404 56.400 0.050 0.000 0.804 198 E CB -0.063 29.674 29.700 0.063 0.000 0.745 198 E HN 0.282 nan 8.360 nan 0.000 0.458 199 A N 0.303 123.161 122.820 0.064 0.000 2.172 199 A HA 0.086 4.408 4.320 0.003 0.000 0.216 199 A C 1.830 179.450 177.584 0.060 0.000 1.154 199 A CA 1.123 53.214 52.037 0.090 0.000 0.701 199 A CB -0.418 18.683 19.000 0.169 0.000 0.789 199 A HN 0.381 nan 8.150 nan 0.000 0.465 200 G N -2.180 106.637 108.800 0.028 0.000 2.141 200 G HA2 -0.170 3.792 3.960 0.003 0.000 0.231 200 G HA3 -0.170 3.792 3.960 0.003 0.000 0.231 200 G C 0.041 174.957 174.900 0.026 0.000 0.984 200 G CA 0.111 45.231 45.100 0.034 0.000 0.660 200 G HN 0.589 nan 8.290 nan 0.000 0.525 201 L N 2.080 123.281 121.223 -0.037 0.000 2.499 201 L HA 0.451 4.793 4.340 0.003 0.000 0.273 201 L C -1.314 175.510 176.870 -0.077 0.000 1.195 201 L CA -0.957 53.827 54.840 -0.093 0.000 0.882 201 L CB 0.261 42.149 42.059 -0.285 0.000 1.133 201 L HN -0.008 nan 8.230 nan 0.000 0.483 202 P HA 0.009 nan 4.420 nan 0.000 0.266 202 P C -1.181 176.056 177.300 -0.105 0.000 1.195 202 P CA -0.235 62.846 63.100 -0.032 0.000 0.768 202 P CB 0.296 32.026 31.700 0.050 0.000 0.838 203 D N 1.991 122.344 120.400 -0.079 0.000 2.520 203 D HA 0.190 4.832 4.640 0.003 0.000 0.243 203 D C 1.619 177.831 176.300 -0.147 0.000 1.160 203 D CA 1.825 55.754 54.000 -0.119 0.000 0.877 203 D CB -0.043 40.692 40.800 -0.108 0.000 1.150 203 D HN 0.687 nan 8.370 nan 0.000 0.494 204 G N 1.155 109.843 108.800 -0.188 0.000 2.194 204 G HA2 -0.321 3.641 3.960 0.003 0.000 0.236 204 G HA3 -0.321 3.641 3.960 0.003 0.000 0.236 204 G C 1.203 175.978 174.900 -0.207 0.000 0.987 204 G CA 0.146 45.137 45.100 -0.182 0.000 0.635 204 G HN 0.456 nan 8.290 nan 0.000 0.520 205 V N 0.316 120.050 119.914 -0.300 0.000 2.379 205 V HA 0.252 4.374 4.120 0.003 0.000 0.245 205 V C 1.420 177.278 176.094 -0.393 0.000 1.044 205 V CA 1.842 63.834 62.300 -0.513 0.000 1.036 205 V CB 0.067 31.320 31.823 -0.951 0.000 0.664 205 V HN 0.435 nan 8.190 nan 0.000 0.453 206 L N 1.748 122.811 121.223 -0.267 0.000 2.372 206 L HA 0.489 4.831 4.340 0.003 0.000 0.273 206 L C -1.215 175.663 176.870 0.013 0.000 0.989 206 L CA -0.212 54.541 54.840 -0.145 0.000 0.841 206 L CB 1.229 43.170 42.059 -0.196 0.000 1.225 206 L HN 0.332 nan 8.230 nan 0.000 0.414 207 N N 3.916 122.623 118.700 0.012 0.000 2.361 207 N HA 0.413 5.155 4.740 0.003 0.000 0.302 207 N C -0.935 174.633 175.510 0.097 0.000 1.074 207 N CA -0.337 52.754 53.050 0.068 0.000 0.850 207 N CB 3.298 41.763 38.487 -0.038 0.000 1.228 207 N HN 0.331 nan 8.380 nan 0.000 0.491 208 V N 2.546 122.558 119.914 0.163 0.000 2.487 208 V HA 0.691 4.813 4.120 0.003 0.000 0.298 208 V C -0.483 175.679 176.094 0.114 0.000 1.028 208 V CA -0.669 61.705 62.300 0.122 0.000 0.860 208 V CB 0.927 32.819 31.823 0.114 0.000 0.991 208 V HN 0.625 nan 8.190 nan 0.000 0.427 209 I N 3.578 124.197 120.570 0.082 0.000 2.689 209 I HA 0.721 4.893 4.170 0.003 0.000 0.299 209 I C -0.763 175.397 176.117 0.071 0.000 1.059 209 I CA -0.829 60.514 61.300 0.071 0.000 1.055 209 I CB 2.513 40.539 38.000 0.043 0.000 1.243 209 I HN 0.515 nan 8.210 nan 0.000 0.425 210 N N 2.551 121.292 118.700 0.069 0.000 2.362 210 N HA 0.874 5.615 4.740 0.003 0.000 0.299 210 N C -0.177 175.361 175.510 0.047 0.000 1.170 210 N CA -0.141 52.947 53.050 0.063 0.000 0.825 210 N CB 2.241 40.770 38.487 0.071 0.000 1.299 210 N HN 1.141 nan 8.380 nan 0.000 0.502 211 G N -0.724 108.102 108.800 0.043 0.000 2.332 211 G HA2 0.023 3.985 3.960 0.003 0.000 0.265 211 G HA3 0.023 3.985 3.960 0.003 0.000 0.265 211 G C -0.957 173.963 174.900 0.033 0.000 1.329 211 G CA -0.485 44.634 45.100 0.033 0.000 0.949 211 G HN 0.605 nan 8.290 nan 0.000 0.476 212 T N -1.127 113.444 114.554 0.028 0.000 2.868 212 T HA 0.513 4.865 4.350 0.003 0.000 0.292 212 T C 1.726 176.446 174.700 0.033 0.000 1.028 212 T CA 0.906 63.023 62.100 0.028 0.000 1.059 212 T CB 1.399 70.280 68.868 0.022 0.000 0.991 212 T HN 1.801 nan 8.240 nan 0.000 0.531 213 G N 0.495 109.317 108.800 0.037 0.000 2.443 213 G HA2 -0.139 3.823 3.960 0.003 0.000 0.219 213 G HA3 -0.139 3.823 3.960 0.003 0.000 0.219 213 G C 1.668 176.587 174.900 0.031 0.000 1.131 213 G CA 0.655 45.778 45.100 0.038 0.000 0.775 213 G HN 0.909 nan 8.290 nan 0.000 0.547 214 S N -0.462 115.254 115.700 0.027 0.000 2.470 214 S HA 0.121 4.592 4.470 0.003 0.000 0.225 214 S C 1.906 176.519 174.600 0.021 0.000 1.006 214 S CA 0.954 59.168 58.200 0.022 0.000 0.934 214 S CB 0.272 63.484 63.200 0.019 0.000 0.778 214 S HN 0.109 nan 8.310 nan 0.000 0.517 215 V N 0.540 120.467 119.914 0.021 0.000 2.735 215 V HA 0.137 4.259 4.120 0.003 0.000 0.234 215 V C 2.422 178.529 176.094 0.021 0.000 1.121 215 V CA 0.638 62.949 62.300 0.019 0.000 1.160 215 V CB -0.486 31.347 31.823 0.017 0.000 0.908 215 V HN 0.350 nan 8.190 nan 0.000 0.495 216 V N 1.301 121.230 119.914 0.024 0.000 2.283 216 V HA -0.092 4.030 4.120 0.003 0.000 0.243 216 V C 2.709 178.820 176.094 0.027 0.000 1.039 216 V CA 2.360 64.675 62.300 0.025 0.000 1.016 216 V CB -1.355 30.485 31.823 0.029 0.000 0.650 216 V HN 0.612 nan 8.190 nan 0.000 0.449 217 G N -0.951 107.867 108.800 0.031 0.000 2.476 217 G HA2 -0.296 3.666 3.960 0.003 0.000 0.218 217 G HA3 -0.296 3.666 3.960 0.003 0.000 0.218 217 G C 1.529 176.446 174.900 0.029 0.000 1.164 217 G CA 0.811 45.931 45.100 0.033 0.000 0.768 217 G HN 0.439 nan 8.290 nan 0.000 0.560 218 Q N -0.021 119.795 119.800 0.027 0.000 2.046 218 Q HA -0.084 4.258 4.340 0.003 0.000 0.200 218 Q C 2.943 178.959 176.000 0.027 0.000 0.975 218 Q CA 1.793 57.612 55.803 0.026 0.000 0.836 218 Q CB -0.897 27.855 28.738 0.024 0.000 0.896 218 Q HN 0.475 nan 8.270 nan 0.000 0.428 219 T N 2.177 116.746 114.554 0.024 0.000 2.684 219 T HA -0.124 4.228 4.350 0.003 0.000 0.267 219 T C 2.121 176.833 174.700 0.021 0.000 1.036 219 T CA 1.046 63.160 62.100 0.023 0.000 1.148 219 T CB -0.324 68.554 68.868 0.017 0.000 0.863 219 T HN 0.167 nan 8.240 nan 0.000 0.436 220 L N 0.445 121.679 121.223 0.019 0.000 2.017 220 L HA -0.133 4.209 4.340 0.003 0.000 0.208 220 L C 2.959 179.841 176.870 0.019 0.000 1.073 220 L CA 1.114 55.964 54.840 0.016 0.000 0.745 220 L CB -0.838 41.233 42.059 0.020 0.000 0.894 220 L HN 0.382 nan 8.230 nan 0.000 0.432 221 C N -0.308 119.007 119.300 0.024 0.000 2.446 221 C HA -0.123 4.339 4.460 0.003 0.000 0.277 221 C C 2.620 177.636 174.990 0.045 0.000 1.275 221 C CA 0.494 59.528 59.018 0.026 0.000 1.727 221 C CB -0.775 26.977 27.740 0.021 0.000 2.010 221 C HN 0.494 nan 8.230 nan 0.000 0.486 222 E N 0.485 120.718 120.200 0.054 0.000 2.274 222 E HA -0.084 4.268 4.350 0.003 0.000 0.194 222 E C 1.088 177.774 176.600 0.142 0.000 0.996 222 E CA 0.223 56.680 56.400 0.095 0.000 0.840 222 E CB -0.020 29.724 29.700 0.073 0.000 0.772 222 E HN 0.461 nan 8.360 nan 0.000 0.491 223 S N 1.161 116.894 115.700 0.056 0.000 2.562 223 S HA 0.022 4.494 4.470 0.003 0.000 0.281 223 S C -1.564 172.938 174.600 -0.163 0.000 1.333 223 S CA -1.352 56.835 58.200 -0.022 0.000 1.052 223 S CB 0.823 64.000 63.200 -0.038 0.000 0.884 223 S HN -0.039 nan 8.310 nan 0.000 0.506 224 P HA 0.032 nan 4.420 nan 0.000 0.233 224 P C 1.309 178.385 177.300 -0.372 0.000 1.167 224 P CA 0.677 63.267 63.100 -0.850 0.000 0.770 224 P CB -0.011 31.027 31.700 -1.105 0.000 0.837 225 I N -0.310 120.131 120.570 -0.215 0.000 2.361 225 I HA -0.105 4.066 4.170 0.003 0.000 0.251 225 I C 0.662 176.730 176.117 -0.082 0.000 1.133 225 I CA 0.988 62.216 61.300 -0.120 0.000 1.413 225 I CB -0.937 37.015 38.000 -0.079 0.000 1.073 225 I HN -0.097 nan 8.210 nan 0.000 0.424 226 T N 2.654 117.163 114.554 -0.076 0.000 2.779 226 T HA 0.080 4.432 4.350 0.003 0.000 0.296 226 T C 1.047 175.733 174.700 -0.024 0.000 0.938 226 T CA -0.217 61.864 62.100 -0.031 0.000 1.119 226 T CB 0.918 69.778 68.868 -0.013 0.000 0.891 226 T HN 0.080 nan 8.240 nan 0.000 0.526 227 K N 2.437 122.836 120.400 -0.001 0.000 2.353 227 K HA 0.338 4.659 4.320 0.003 0.000 0.195 227 K C 0.259 176.868 176.600 0.015 0.000 1.031 227 K CA 0.185 56.477 56.287 0.009 0.000 1.079 227 K CB 0.457 32.969 32.500 0.021 0.000 0.857 227 K HN 0.643 nan 8.250 nan 0.000 0.535 228 M N 0.098 119.707 119.600 0.016 0.000 2.569 228 M HA 0.301 4.783 4.480 0.003 0.000 0.287 228 M C -2.040 174.267 176.300 0.013 0.000 1.130 228 M CA -0.458 54.843 55.300 0.002 0.000 0.885 228 M CB 1.514 34.115 32.600 0.002 0.000 1.759 228 M HN -0.117 nan 8.290 nan 0.000 0.515 229 I N 2.202 122.768 120.570 -0.007 0.000 2.447 229 I HA 0.421 4.592 4.170 0.003 0.000 0.287 229 I C -0.526 175.600 176.117 0.015 0.000 1.023 229 I CA -0.480 60.827 61.300 0.011 0.000 1.083 229 I CB 2.277 40.273 38.000 -0.006 0.000 1.245 229 I HN 0.658 nan 8.210 nan 0.000 0.434 230 T N 7.798 122.385 114.554 0.054 0.000 2.786 230 T HA 0.610 4.962 4.350 0.003 0.000 0.283 230 T C -0.806 173.937 174.700 0.073 0.000 0.992 230 T CA -0.490 61.652 62.100 0.070 0.000 0.954 230 T CB 0.688 69.635 68.868 0.131 0.000 0.934 230 T HN 0.526 nan 8.240 nan 0.000 0.440 231 M N 4.413 124.052 119.600 0.065 0.000 2.446 231 M HA 0.500 4.982 4.480 0.003 0.000 0.294 231 M C -1.571 174.760 176.300 0.051 0.000 1.158 231 M CA -0.281 55.052 55.300 0.054 0.000 0.899 231 M CB 2.179 34.807 32.600 0.047 0.000 1.687 231 M HN 0.609 nan 8.290 nan 0.000 0.455 232 T N 3.104 117.678 114.554 0.034 0.000 2.812 232 T HA 0.868 5.219 4.350 0.003 0.000 0.282 232 T C -0.019 174.667 174.700 -0.023 0.000 0.990 232 T CA -0.268 61.842 62.100 0.017 0.000 0.960 232 T CB 1.689 70.570 68.868 0.022 0.000 0.948 232 T HN 0.973 nan 8.240 nan 0.000 0.438 233 G N 1.685 110.453 108.800 -0.053 0.000 2.435 233 G HA2 0.509 4.471 3.960 0.003 0.000 0.228 233 G HA3 0.509 4.471 3.960 0.003 0.000 0.228 233 G C -0.591 174.231 174.900 -0.131 0.000 1.198 233 G CA -0.261 44.774 45.100 -0.109 0.000 0.948 233 G HN 0.911 nan 8.290 nan 0.000 0.487 234 S N -0.637 115.001 115.700 -0.104 0.000 2.603 234 S HA 0.470 4.941 4.470 0.003 0.000 0.268 234 S C 1.334 175.925 174.600 -0.015 0.000 1.317 234 S CA 0.984 59.132 58.200 -0.086 0.000 1.012 234 S CB 1.312 64.485 63.200 -0.046 0.000 0.926 234 S HN 0.752 nan 8.310 nan 0.000 0.539 235 T N 1.585 116.152 114.554 0.022 0.000 2.746 235 T HA -0.093 4.259 4.350 0.003 0.000 0.267 235 T C 1.866 176.588 174.700 0.037 0.000 1.039 235 T CA 1.315 63.450 62.100 0.059 0.000 1.142 235 T CB -0.493 68.448 68.868 0.122 0.000 0.866 235 T HN 0.457 nan 8.240 nan 0.000 0.444 236 V N 1.680 121.613 119.914 0.031 0.000 2.332 236 V HA -0.182 3.940 4.120 0.003 0.000 0.248 236 V C 2.863 178.972 176.094 0.025 0.000 1.055 236 V CA 1.791 64.105 62.300 0.024 0.000 1.038 236 V CB -1.091 30.747 31.823 0.025 0.000 0.651 236 V HN 0.556 nan 8.190 nan 0.000 0.450 237 A N 0.087 122.923 122.820 0.027 0.000 1.968 237 A HA 0.026 4.348 4.320 0.003 0.000 0.217 237 A C 2.384 179.990 177.584 0.037 0.000 1.169 237 A CA 1.536 53.592 52.037 0.031 0.000 0.638 237 A CB -0.987 18.031 19.000 0.031 0.000 0.812 237 A HN 0.518 nan 8.150 nan 0.000 0.446 238 G N 0.128 108.952 108.800 0.040 0.000 2.421 238 G HA2 -0.240 3.722 3.960 0.003 0.000 0.216 238 G HA3 -0.240 3.722 3.960 0.003 0.000 0.216 238 G C 1.653 176.597 174.900 0.074 0.000 1.171 238 G CA 1.065 46.201 45.100 0.060 0.000 0.775 238 G HN 0.555 nan 8.290 nan 0.000 0.543 239 K N -0.096 120.331 120.400 0.045 0.000 2.097 239 K HA -0.094 4.228 4.320 0.003 0.000 0.206 239 K C 2.529 179.162 176.600 0.056 0.000 1.049 239 K CA 1.203 57.506 56.287 0.027 0.000 0.933 239 K CB -0.146 32.345 32.500 -0.016 0.000 0.717 239 K HN 0.405 nan 8.250 nan 0.000 0.442 240 Q N 1.037 120.864 119.800 0.044 0.000 2.079 240 Q HA -0.106 4.235 4.340 0.003 0.000 0.200 240 Q C 2.030 178.058 176.000 0.047 0.000 0.974 240 Q CA 1.163 56.989 55.803 0.039 0.000 0.840 240 Q CB 0.042 28.798 28.738 0.030 0.000 0.898 240 Q HN 0.282 nan 8.270 nan 0.000 0.430 241 I N -0.339 120.261 120.570 0.051 0.000 2.315 241 I HA -0.261 3.911 4.170 0.003 0.000 0.248 241 I C 1.958 178.089 176.117 0.023 0.000 1.117 241 I CA 0.888 62.208 61.300 0.033 0.000 1.404 241 I CB -0.243 37.775 38.000 0.030 0.000 1.071 241 I HN 0.306 nan 8.210 nan 0.000 0.419 242 Y N 1.898 122.153 120.300 -0.074 0.000 2.128 242 Y HA -0.321 4.231 4.550 0.003 0.000 0.284 242 Y C 2.503 178.343 175.900 -0.100 0.000 1.154 242 Y CA 1.795 59.819 58.100 -0.126 0.000 1.149 242 Y CB -0.213 38.144 38.460 -0.172 0.000 0.976 242 Y HN -0.062 nan 8.280 nan 0.000 0.505 243 K N -0.734 119.768 120.400 0.170 0.000 2.020 243 K HA -0.178 4.144 4.320 0.003 0.000 0.212 243 K C 2.029 178.641 176.600 0.020 0.000 1.050 243 K CA 2.381 58.719 56.287 0.085 0.000 0.929 243 K CB -0.690 31.839 32.500 0.048 0.000 0.714 243 K HN 0.280 nan 8.250 nan 0.000 0.443 244 T N 0.001 114.560 114.554 0.009 0.000 2.833 244 T HA -0.159 4.193 4.350 0.003 0.000 0.269 244 T C 1.870 176.555 174.700 -0.025 0.000 1.054 244 T CA 1.585 63.683 62.100 -0.004 0.000 1.135 244 T CB -0.387 68.487 68.868 0.009 0.000 0.869 244 T HN 0.425 nan 8.240 nan 0.000 0.466 245 S N 1.536 117.194 115.700 -0.070 0.000 2.481 245 S HA 0.157 4.629 4.470 0.003 0.000 0.231 245 S C 2.347 176.885 174.600 -0.103 0.000 0.996 245 S CA 0.684 58.825 58.200 -0.099 0.000 0.942 245 S CB -0.437 62.638 63.200 -0.209 0.000 0.768 245 S HN 0.479 nan 8.310 nan 0.000 0.520 246 A N 1.942 124.700 122.820 -0.102 0.000 1.917 246 A HA -0.172 4.150 4.320 0.003 0.000 0.219 246 A C 2.138 179.656 177.584 -0.110 0.000 1.182 246 A CA 2.023 54.006 52.037 -0.090 0.000 0.633 246 A CB -1.040 17.931 19.000 -0.049 0.000 0.819 246 A HN 0.655 nan 8.150 nan 0.000 0.448 247 E N -0.823 119.283 120.200 -0.156 0.000 2.058 247 E HA -0.192 4.160 4.350 0.003 0.000 0.194 247 E C 1.061 177.378 176.600 -0.471 0.000 0.997 247 E CA 1.746 57.945 56.400 -0.335 0.000 0.801 247 E CB -0.400 29.047 29.700 -0.422 0.000 0.746 247 E HN 0.713 nan 8.360 nan 0.000 0.450 248 Y N -0.659 119.622 120.300 -0.033 0.000 2.524 248 Y HA 0.381 4.932 4.550 0.003 0.000 0.266 248 Y C 0.184 176.061 175.900 -0.037 0.000 1.180 248 Y CA 0.098 58.181 58.100 -0.028 0.000 1.244 248 Y CB -0.021 38.425 38.460 -0.023 0.000 1.125 248 Y HN -0.073 nan 8.280 nan 0.000 0.524 249 M N 0.738 120.350 119.600 0.020 0.000 2.253 249 M HA -0.226 4.256 4.480 0.003 0.000 0.195 249 M C -0.647 175.642 176.300 -0.018 0.000 0.512 249 M CA 0.693 55.980 55.300 -0.021 0.000 0.442 249 M CB -1.598 30.997 32.600 -0.009 0.000 1.189 249 M HN 0.122 nan 8.290 nan 0.000 0.923 250 T N 2.158 116.697 114.554 -0.025 0.000 2.752 250 T HA 0.353 4.705 4.350 0.003 0.000 0.295 250 T C -1.880 172.763 174.700 -0.094 0.000 0.923 250 T CA -0.891 61.193 62.100 -0.027 0.000 1.112 250 T CB 0.563 69.429 68.868 -0.004 0.000 0.884 250 T HN 0.215 nan 8.240 nan 0.000 0.525 251 P HA 0.178 nan 4.420 nan 0.000 0.266 251 P C -0.577 176.666 177.300 -0.094 0.000 1.195 251 P CA -0.278 62.779 63.100 -0.072 0.000 0.768 251 P CB 0.411 32.097 31.700 -0.022 0.000 0.838 252 V N 0.718 120.565 119.914 -0.112 0.000 2.656 252 V HA 0.673 4.794 4.120 0.003 0.000 0.307 252 V C -0.502 175.641 176.094 0.082 0.000 1.051 252 V CA -1.063 61.190 62.300 -0.080 0.000 0.893 252 V CB 2.101 33.796 31.823 -0.213 0.000 0.999 252 V HN 0.546 nan 8.190 nan 0.000 0.426 253 M N 6.049 125.690 119.600 0.068 0.000 2.125 253 M HA 0.692 5.174 4.480 0.003 0.000 0.321 253 M C -2.197 174.180 176.300 0.129 0.000 0.983 253 M CA -0.529 54.847 55.300 0.127 0.000 0.934 253 M CB 1.295 33.918 32.600 0.038 0.000 1.542 253 M HN 0.801 nan 8.290 nan 0.000 0.424 254 L N 4.569 125.903 121.223 0.186 0.000 2.381 254 L HA 0.581 4.923 4.340 0.003 0.000 0.274 254 L C -0.755 176.185 176.870 0.118 0.000 0.988 254 L CA -0.787 54.142 54.840 0.147 0.000 0.824 254 L CB 1.938 44.105 42.059 0.180 0.000 1.263 254 L HN 0.592 nan 8.230 nan 0.000 0.410 255 E N 4.738 124.986 120.200 0.079 0.000 2.145 255 E HA 0.630 4.982 4.350 0.003 0.000 0.262 255 E C -0.615 176.003 176.600 0.031 0.000 0.883 255 E CA -0.212 56.220 56.400 0.053 0.000 0.748 255 E CB 2.352 32.103 29.700 0.085 0.000 1.140 255 E HN 0.484 nan 8.360 nan 0.000 0.417 256 L N 0.072 121.307 121.223 0.020 0.000 2.778 256 L HA 0.681 5.023 4.340 0.003 0.000 0.246 256 L C 1.168 178.012 176.870 -0.044 0.000 1.820 256 L CA -1.312 53.529 54.840 0.003 0.000 1.986 256 L CB 0.021 42.116 42.059 0.060 0.000 2.298 256 L HN 0.470 nan 8.230 nan 0.000 0.580 257 G N -1.301 107.475 108.800 -0.041 0.000 2.651 257 G HA2 0.515 4.477 3.960 0.003 0.000 0.260 257 G HA3 0.515 4.477 3.960 0.003 0.000 0.260 257 G C -0.561 174.102 174.900 -0.394 0.000 1.216 257 G CA 0.290 45.236 45.100 -0.256 0.000 0.913 257 G HN 0.755 nan 8.290 nan 0.000 0.535 258 G N -1.349 107.057 108.800 -0.657 0.000 2.684 258 G HA2 0.502 4.463 3.960 0.003 0.000 0.290 258 G HA3 0.502 4.463 3.960 0.003 0.000 0.290 258 G C -1.161 173.425 174.900 -0.523 0.000 1.425 258 G CA -0.626 44.160 45.100 -0.522 0.000 0.822 258 G HN 0.557 nan 8.290 nan 0.000 0.482 259 K N 0.293 120.584 120.400 -0.181 0.000 3.301 259 K HA 0.594 4.916 4.320 0.003 0.000 0.170 259 K C 0.287 176.917 176.600 0.049 0.000 1.061 259 K CA -0.282 55.988 56.287 -0.029 0.000 0.807 259 K CB 0.409 32.990 32.500 0.135 0.000 0.889 259 K HN 0.826 nan 8.250 nan 0.000 0.564 260 A N 2.473 125.328 122.820 0.057 0.000 2.522 260 A HA 0.327 4.649 4.320 0.003 0.000 0.256 260 A C -2.268 175.411 177.584 0.158 0.000 1.086 260 A CA -0.658 51.458 52.037 0.131 0.000 0.763 260 A CB -0.396 18.742 19.000 0.231 0.000 1.024 260 A HN 0.300 nan 8.150 nan 0.000 0.502 261 P HA 0.367 nan 4.420 nan 0.000 0.282 261 P C -0.539 176.931 177.300 0.283 0.000 1.249 261 P CA -0.415 62.820 63.100 0.225 0.000 0.806 261 P CB 1.032 32.937 31.700 0.342 0.000 0.984 262 M N 3.094 122.811 119.600 0.195 0.000 2.181 262 M HA 0.358 4.839 4.480 0.003 0.000 0.323 262 M C -1.553 174.852 176.300 0.176 0.000 1.004 262 M CA -0.827 54.584 55.300 0.185 0.000 0.941 262 M CB 1.163 33.779 32.600 0.026 0.000 1.579 262 M HN -0.046 nan 8.290 nan 0.000 0.427 263 V N 6.146 126.175 119.914 0.192 0.000 2.350 263 V HA 0.381 4.503 4.120 0.003 0.000 0.276 263 V C -0.441 175.707 176.094 0.089 0.000 1.028 263 V CA -0.653 61.745 62.300 0.163 0.000 0.860 263 V CB 1.222 33.120 31.823 0.126 0.000 0.990 263 V HN 0.657 nan 8.190 nan 0.000 0.453 264 V N 6.669 126.577 119.914 -0.010 0.000 2.370 264 V HA 0.510 4.632 4.120 0.003 0.000 0.283 264 V C 0.142 176.196 176.094 -0.067 0.000 1.023 264 V CA -0.206 62.025 62.300 -0.116 0.000 0.857 264 V CB 1.475 33.004 31.823 -0.489 0.000 0.985 264 V HN 0.822 nan 8.190 nan 0.000 0.443 265 M N 1.368 120.950 119.600 -0.030 0.000 2.792 265 M HA 0.400 4.882 4.480 0.003 0.000 0.290 265 M C 1.031 177.268 176.300 -0.104 0.000 1.155 265 M CA -0.646 54.635 55.300 -0.032 0.000 0.781 265 M CB 1.921 34.490 32.600 -0.052 0.000 1.741 265 M HN 0.669 nan 8.290 nan 0.000 0.473 266 D N 1.144 121.346 120.400 -0.331 0.000 2.192 266 D HA -0.222 4.420 4.640 0.003 0.000 0.189 266 D C 0.417 176.638 176.300 -0.132 0.000 1.007 266 D CA 2.166 55.940 54.000 -0.376 0.000 0.859 266 D CB 0.006 40.489 40.800 -0.529 0.000 0.936 266 D HN 0.602 nan 8.370 nan 0.000 0.447 267 D N -1.144 119.199 120.400 -0.095 0.000 2.643 267 D HA 0.352 4.994 4.640 0.003 0.000 0.244 267 D C -0.183 176.116 176.300 -0.002 0.000 1.257 267 D CA -0.366 53.613 54.000 -0.034 0.000 0.831 267 D CB -0.332 40.453 40.800 -0.026 0.000 1.043 267 D HN 0.167 nan 8.370 nan 0.000 0.488 268 A N 0.302 123.119 122.820 -0.005 0.000 2.386 268 A HA 0.280 4.602 4.320 0.003 0.000 0.248 268 A C 0.225 177.819 177.584 0.017 0.000 1.082 268 A CA -0.459 51.589 52.037 0.018 0.000 0.789 268 A CB 0.359 19.343 19.000 -0.027 0.000 1.025 268 A HN 0.167 nan 8.150 nan 0.000 0.490 269 D N 1.161 121.581 120.400 0.033 0.000 2.358 269 D HA 0.181 4.823 4.640 0.003 0.000 0.258 269 D C 0.532 176.804 176.300 -0.048 0.000 1.223 269 D CA -0.119 53.890 54.000 0.015 0.000 0.886 269 D CB 0.656 41.484 40.800 0.046 0.000 1.120 269 D HN 0.244 nan 8.370 nan 0.000 0.482 270 L N 3.703 124.931 121.223 0.008 0.000 2.270 270 L HA 0.046 4.388 4.340 0.003 0.000 0.210 270 L C 1.737 178.674 176.870 0.111 0.000 1.104 270 L CA 1.002 55.883 54.840 0.069 0.000 0.804 270 L CB -0.157 41.991 42.059 0.149 0.000 0.937 270 L HN 0.377 nan 8.230 nan 0.000 0.450 271 D N -1.169 119.271 120.400 0.066 0.000 2.194 271 D HA -0.130 4.511 4.640 0.003 0.000 0.204 271 D C 2.082 178.419 176.300 0.061 0.000 0.964 271 D CA 0.662 54.705 54.000 0.072 0.000 0.846 271 D CB 0.253 41.087 40.800 0.057 0.000 0.962 271 D HN -0.050 nan 8.370 nan 0.000 0.490 272 K N 0.379 120.790 120.400 0.017 0.000 2.116 272 K HA 0.150 4.472 4.320 0.003 0.000 0.203 272 K C 1.768 178.320 176.600 -0.080 0.000 1.052 272 K CA 0.817 57.117 56.287 0.021 0.000 0.952 272 K CB -0.274 32.265 32.500 0.066 0.000 0.729 272 K HN 0.045 nan 8.250 nan 0.000 0.446 273 A N 0.452 123.059 122.820 -0.355 0.000 1.933 273 A HA -0.074 4.248 4.320 0.003 0.000 0.218 273 A C 2.282 179.850 177.584 -0.026 0.000 1.175 273 A CA 1.908 53.632 52.037 -0.523 0.000 0.628 273 A CB -0.828 17.764 19.000 -0.680 0.000 0.814 273 A HN 0.323 nan 8.150 nan 0.000 0.444 274 A N -0.720 122.205 122.820 0.174 0.000 1.930 274 A HA -0.144 4.177 4.320 0.003 0.000 0.217 274 A C 2.012 179.760 177.584 0.273 0.000 1.175 274 A CA 1.679 53.899 52.037 0.304 0.000 0.627 274 A CB -0.374 18.774 19.000 0.246 0.000 0.815 274 A HN 0.621 nan 8.150 nan 0.000 0.443 275 E N -0.631 119.693 120.200 0.207 0.000 2.230 275 E HA -0.120 4.232 4.350 0.003 0.000 0.192 275 E C 0.971 177.741 176.600 0.285 0.000 0.987 275 E CA 0.626 57.182 56.400 0.260 0.000 0.841 275 E CB 0.038 29.898 29.700 0.266 0.000 0.783 275 E HN 0.497 nan 8.360 nan 0.000 0.481 276 D N 0.448 120.964 120.400 0.193 0.000 2.117 276 D HA -0.130 4.512 4.640 0.003 0.000 0.198 276 D C 1.751 178.092 176.300 0.069 0.000 0.982 276 D CA 1.206 55.296 54.000 0.149 0.000 0.828 276 D CB -0.168 40.750 40.800 0.197 0.000 0.967 276 D HN 0.201 nan 8.370 nan 0.000 0.464 277 A N 0.593 123.443 122.820 0.049 0.000 1.969 277 A HA -0.095 4.227 4.320 0.003 0.000 0.218 277 A C 2.084 179.772 177.584 0.173 0.000 1.169 277 A CA 0.770 52.793 52.037 -0.023 0.000 0.635 277 A CB -0.568 18.285 19.000 -0.245 0.000 0.810 277 A HN 0.221 nan 8.150 nan 0.000 0.445 278 L N -1.122 120.293 121.223 0.320 0.000 1.937 278 L HA -0.107 4.235 4.340 0.003 0.000 0.213 278 L C 2.183 179.128 176.870 0.125 0.000 1.077 278 L CA 2.207 57.220 54.840 0.289 0.000 0.758 278 L CB -1.005 41.057 42.059 0.006 0.000 0.888 278 L HN 0.559 nan 8.230 nan 0.000 0.433 279 W N -0.147 121.264 121.300 0.185 0.000 2.519 279 W HA 0.112 4.773 4.660 0.003 0.000 0.266 279 W C 2.374 178.913 176.519 0.032 0.000 1.253 279 W CA 0.717 58.134 57.345 0.120 0.000 1.274 279 W CB -0.955 28.550 29.460 0.077 0.000 1.114 279 W HN 0.363 nan 8.180 nan 0.000 0.596 280 G N 0.500 109.385 108.800 0.142 0.000 2.448 280 G HA2 -0.276 3.686 3.960 0.003 0.000 0.219 280 G HA3 -0.276 3.686 3.960 0.003 0.000 0.219 280 G C 1.555 176.382 174.900 -0.121 0.000 1.127 280 G CA 1.376 46.429 45.100 -0.078 0.000 0.766 280 G HN 0.139 nan 8.290 nan 0.000 0.552 281 R N -0.133 120.291 120.500 -0.126 0.000 2.072 281 R HA 0.270 4.612 4.340 0.003 0.000 0.214 281 R C 1.638 177.748 176.300 -0.317 0.000 1.168 281 R CA 0.522 56.408 56.100 -0.357 0.000 1.020 281 R CB -0.877 28.977 30.300 -0.743 0.000 0.914 281 R HN 0.254 nan 8.270 nan 0.000 0.449 282 F N 1.374 121.316 119.950 -0.014 0.000 2.797 282 F HA 0.470 4.999 4.527 0.003 0.000 0.302 282 F C 0.708 176.535 175.800 0.045 0.000 1.130 282 F CA 0.058 58.032 58.000 -0.043 0.000 1.387 282 F CB -0.032 38.871 39.000 -0.162 0.000 1.107 282 F HN 0.070 nan 8.300 nan 0.000 0.577 283 A N 0.343 123.325 122.820 0.272 0.000 2.440 283 A HA 0.202 4.524 4.320 0.003 0.000 0.251 283 A C 0.847 178.546 177.584 0.192 0.000 1.089 283 A CA -0.327 51.923 52.037 0.356 0.000 0.779 283 A CB -0.248 18.986 19.000 0.389 0.000 1.022 283 A HN 0.416 nan 8.150 nan 0.000 0.492 284 N N -0.237 118.572 118.700 0.181 0.000 2.699 284 N HA -0.202 4.540 4.740 0.003 0.000 0.256 284 N C 0.297 175.795 175.510 -0.021 0.000 0.993 284 N CA 1.085 54.164 53.050 0.048 0.000 0.759 284 N CB -1.746 36.730 38.487 -0.018 0.000 0.906 284 N HN 1.399 nan 8.380 nan 0.000 0.541 285 C N -0.530 118.793 119.300 0.038 0.000 3.989 285 C HA -0.122 4.340 4.460 0.003 0.000 0.297 285 C C 1.772 176.703 174.990 -0.098 0.000 1.435 285 C CA 1.504 60.530 59.018 0.013 0.000 2.040 285 C CB -2.145 25.587 27.740 -0.015 0.000 1.308 285 C HN 1.534 nan 8.230 nan 0.000 0.704 286 G N 0.197 108.921 108.800 -0.127 0.000 2.196 286 G HA2 -0.333 3.628 3.960 0.003 0.000 0.268 286 G HA3 -0.333 3.628 3.960 0.003 0.000 0.268 286 G C 0.149 174.783 174.900 -0.444 0.000 0.975 286 G CA 0.824 45.777 45.100 -0.244 0.000 0.648 286 G HN 0.907 nan 8.290 nan 0.000 0.538 287 Q N 0.162 119.650 119.800 -0.520 0.000 3.122 287 Q HA 0.479 4.821 4.340 0.003 0.000 0.360 287 Q C -0.324 175.320 176.000 -0.593 0.000 1.300 287 Q CA -0.103 55.038 55.803 -1.104 0.000 0.982 287 Q CB 0.805 29.173 28.738 -0.616 0.000 1.534 287 Q HN 0.392 nan 8.270 nan 0.000 0.474 288 V N -1.447 118.312 119.914 -0.257 0.000 2.888 288 V HA 0.111 4.233 4.120 0.003 0.000 0.309 288 V C 0.573 176.855 176.094 0.313 0.000 1.114 288 V CA -0.939 61.490 62.300 0.215 0.000 0.940 288 V CB 1.719 33.687 31.823 0.241 0.000 1.021 288 V HN 0.477 nan 8.190 nan 0.000 0.426 289 C N 1.536 121.050 119.300 0.356 0.000 2.449 289 C HA -0.063 4.399 4.460 0.003 0.000 0.283 289 C C 2.466 177.553 174.990 0.161 0.000 1.453 289 C CA 1.409 60.565 59.018 0.230 0.000 1.779 289 C CB -1.263 26.557 27.740 0.132 0.000 1.779 289 C HN 1.061 nan 8.230 nan 0.000 0.546 290 T N -3.382 111.285 114.554 0.187 0.000 3.081 290 T HA 0.092 4.444 4.350 0.003 0.000 0.250 290 T C 0.569 175.366 174.700 0.161 0.000 1.100 290 T CA -0.064 62.151 62.100 0.192 0.000 1.038 290 T CB -0.627 68.363 68.868 0.202 0.000 0.962 290 T HN 0.437 nan 8.240 nan 0.000 0.516 291 C N 2.738 122.091 119.300 0.087 0.000 2.597 291 C HA 0.219 4.681 4.460 0.003 0.000 0.412 291 C C 1.117 176.096 174.990 -0.018 0.000 1.348 291 C CA -1.066 57.948 59.018 -0.006 0.000 1.769 291 C CB -0.517 27.191 27.740 -0.054 0.000 2.641 291 C HN 0.433 nan 8.230 nan 0.000 0.612 292 V N 5.547 125.382 119.914 -0.132 0.000 2.493 292 V HA 0.017 4.139 4.120 0.003 0.000 0.292 292 V C 1.096 177.123 176.094 -0.111 0.000 1.016 292 V CA 1.054 63.276 62.300 -0.129 0.000 1.097 292 V CB 0.129 31.823 31.823 -0.215 0.000 0.947 292 V HN 0.907 nan 8.190 nan 0.000 0.479 293 E N 4.430 124.592 120.200 -0.063 0.000 2.514 293 E HA 0.178 4.530 4.350 0.003 0.000 0.215 293 E C 0.277 176.829 176.600 -0.080 0.000 0.946 293 E CA -0.021 56.338 56.400 -0.068 0.000 1.038 293 E CB 0.918 30.598 29.700 -0.033 0.000 1.069 293 E HN 0.834 nan 8.360 nan 0.000 0.503 294 R N 0.262 120.702 120.500 -0.099 0.000 2.604 294 R HA 0.439 4.781 4.340 0.003 0.000 0.261 294 R C -1.359 174.791 176.300 -0.249 0.000 1.080 294 R CA -0.804 55.181 56.100 -0.192 0.000 0.917 294 R CB 1.197 31.356 30.300 -0.234 0.000 1.252 294 R HN -0.166 nan 8.270 nan 0.000 0.456 295 L N 2.939 123.966 121.223 -0.325 0.000 2.346 295 L HA 0.561 4.903 4.340 0.003 0.000 0.274 295 L C -1.277 175.334 176.870 -0.432 0.000 1.007 295 L CA -0.949 53.737 54.840 -0.255 0.000 0.818 295 L CB 1.551 43.544 42.059 -0.110 0.000 1.284 295 L HN 0.729 nan 8.230 nan 0.000 0.424 296 Y N 2.957 123.275 120.300 0.030 0.000 2.341 296 Y HA 0.607 5.158 4.550 0.003 0.000 0.338 296 Y C -0.007 175.898 175.900 0.008 0.000 0.965 296 Y CA -0.851 57.283 58.100 0.056 0.000 1.108 296 Y CB 2.181 40.697 38.460 0.093 0.000 1.180 296 Y HN 0.203 nan 8.280 nan 0.000 0.458 297 V N 2.888 122.912 119.914 0.184 0.000 2.588 297 V HA 0.196 4.317 4.120 0.003 0.000 0.304 297 V C -0.186 176.008 176.094 0.167 0.000 1.042 297 V CA -1.052 61.320 62.300 0.120 0.000 0.877 297 V CB 1.472 33.424 31.823 0.215 0.000 0.996 297 V HN 0.755 nan 8.190 nan 0.000 0.425 298 H N 2.915 122.017 119.070 0.054 0.000 2.964 298 H HA 0.130 4.688 4.556 0.003 0.000 0.328 298 H C 1.270 176.659 175.328 0.101 0.000 1.030 298 H CA 0.530 56.611 56.048 0.054 0.000 1.445 298 H CB 1.797 31.575 29.762 0.026 0.000 1.449 298 H HN 0.877 nan 8.280 nan 0.000 0.581 299 A N 3.760 126.451 122.820 -0.214 0.000 1.978 299 A HA -0.185 4.136 4.320 0.003 0.000 0.220 299 A C 2.428 180.061 177.584 0.081 0.000 1.170 299 A CA 1.803 53.799 52.037 -0.067 0.000 0.636 299 A CB -0.380 18.523 19.000 -0.163 0.000 0.810 299 A HN 0.723 nan 8.150 nan 0.000 0.448 300 S N -0.917 114.868 115.700 0.143 0.000 2.419 300 S HA -0.069 4.403 4.470 0.003 0.000 0.233 300 S C 1.460 176.180 174.600 0.201 0.000 1.016 300 S CA 1.530 59.861 58.200 0.219 0.000 0.974 300 S CB -0.215 63.180 63.200 0.325 0.000 0.786 300 S HN 1.027 nan 8.310 nan 0.000 0.492 301 V N -2.029 118.024 119.914 0.232 0.000 3.346 301 V HA 0.372 4.493 4.120 0.003 0.000 0.309 301 V C 1.204 177.441 176.094 0.239 0.000 1.457 301 V CA -0.542 61.873 62.300 0.191 0.000 1.069 301 V CB -1.270 30.638 31.823 0.141 0.000 0.944 301 V HN 0.401 nan 8.190 nan 0.000 0.449 302 Y N 2.087 122.474 120.300 0.145 0.000 2.165 302 Y HA -0.215 4.337 4.550 0.003 0.000 0.286 302 Y C 2.115 178.131 175.900 0.194 0.000 1.155 302 Y CA 2.466 60.672 58.100 0.178 0.000 1.164 302 Y CB 0.111 38.645 38.460 0.123 0.000 0.978 302 Y HN 0.322 nan 8.280 nan 0.000 0.513 303 D N -0.049 120.360 120.400 0.016 0.000 2.084 303 D HA -0.195 4.446 4.640 0.003 0.000 0.196 303 D C 1.978 178.232 176.300 -0.078 0.000 0.985 303 D CA 1.963 55.906 54.000 -0.095 0.000 0.826 303 D CB -0.478 40.340 40.800 0.030 0.000 0.978 303 D HN 0.760 nan 8.370 nan 0.000 0.456 304 E N -0.162 120.047 120.200 0.017 0.000 2.358 304 E HA -0.087 4.264 4.350 0.003 0.000 0.195 304 E C 1.954 178.584 176.600 0.051 0.000 1.010 304 E CA 0.251 56.665 56.400 0.022 0.000 0.856 304 E CB -0.616 29.110 29.700 0.044 0.000 0.795 304 E HN 0.338 nan 8.360 nan 0.000 0.504 305 F N 1.114 121.040 119.950 -0.040 0.000 2.113 305 F HA -0.102 4.427 4.527 0.003 0.000 0.297 305 F C 2.071 177.866 175.800 -0.008 0.000 1.103 305 F CA 1.248 59.236 58.000 -0.021 0.000 1.248 305 F CB -0.001 38.990 39.000 -0.014 0.000 0.999 305 F HN -0.033 nan 8.300 nan 0.000 0.475 306 M N 0.897 120.319 119.600 -0.296 0.000 2.149 306 M HA -0.176 4.305 4.480 0.003 0.000 0.261 306 M C 2.539 178.680 176.300 -0.265 0.000 1.064 306 M CA 1.608 56.698 55.300 -0.351 0.000 1.102 306 M CB -1.900 30.471 32.600 -0.382 0.000 1.369 306 M HN 0.397 nan 8.290 nan 0.000 0.408 307 A N -0.161 122.544 122.820 -0.191 0.000 1.940 307 A HA -0.213 4.109 4.320 0.003 0.000 0.219 307 A C 2.314 179.814 177.584 -0.140 0.000 1.176 307 A CA 1.924 53.879 52.037 -0.136 0.000 0.631 307 A CB -0.466 18.485 19.000 -0.082 0.000 0.814 307 A HN 0.475 nan 8.150 nan 0.000 0.446 308 K N -1.991 118.317 120.400 -0.154 0.000 2.067 308 K HA 0.069 4.390 4.320 0.003 0.000 0.203 308 K C 1.757 178.253 176.600 -0.173 0.000 1.048 308 K CA 1.257 57.468 56.287 -0.128 0.000 0.954 308 K CB -0.251 32.213 32.500 -0.061 0.000 0.737 308 K HN 0.463 nan 8.250 nan 0.000 0.444 309 F N 1.283 120.926 119.950 -0.511 0.000 2.163 309 F HA -0.067 4.462 4.527 0.003 0.000 0.297 309 F C 1.805 177.405 175.800 -0.334 0.000 1.094 309 F CA 0.710 58.400 58.000 -0.517 0.000 1.290 309 F CB -0.310 38.088 39.000 -1.003 0.000 1.017 309 F HN -0.118 nan 8.300 nan 0.000 0.483 310 L N 1.362 122.284 121.223 -0.502 0.000 2.012 310 L HA -0.074 4.268 4.340 0.003 0.000 0.210 310 L C -0.808 175.814 176.870 -0.413 0.000 1.073 310 L CA 2.132 56.678 54.840 -0.490 0.000 0.748 310 L CB -1.830 40.067 42.059 -0.270 0.000 0.891 310 L HN 0.002 nan 8.230 nan 0.000 0.431 311 P HA -0.154 nan 4.420 nan 0.000 0.220 311 P C 1.998 179.137 177.300 -0.269 0.000 1.148 311 P CA 0.955 63.912 63.100 -0.239 0.000 0.803 311 P CB -0.034 31.564 31.700 -0.169 0.000 0.782 312 L N -0.876 120.156 121.223 -0.318 0.000 2.093 312 L HA -0.104 4.238 4.340 0.003 0.000 0.208 312 L C 2.261 178.876 176.870 -0.424 0.000 1.085 312 L CA 1.713 56.368 54.840 -0.307 0.000 0.755 312 L CB -1.320 40.592 42.059 -0.244 0.000 0.904 312 L HN -0.067 nan 8.230 nan 0.000 0.435 313 V N -0.240 119.314 119.914 -0.601 0.000 2.295 313 V HA -0.268 3.854 4.120 0.003 0.000 0.246 313 V C 2.468 178.263 176.094 -0.498 0.000 1.049 313 V CA 1.484 63.376 62.300 -0.679 0.000 1.024 313 V CB -0.480 30.869 31.823 -0.791 0.000 0.648 313 V HN 0.303 nan 8.190 nan 0.000 0.447 314 K N 0.823 120.996 120.400 -0.379 0.000 2.209 314 K HA -0.072 4.250 4.320 0.003 0.000 0.204 314 K C 1.983 178.446 176.600 -0.228 0.000 1.048 314 K CA 1.212 57.337 56.287 -0.270 0.000 0.940 314 K CB -0.800 31.571 32.500 -0.215 0.000 0.729 314 K HN 0.525 nan 8.250 nan 0.000 0.451 315 G N -0.027 108.634 108.800 -0.231 0.000 2.679 315 G HA2 -0.053 3.909 3.960 0.003 0.000 0.212 315 G HA3 -0.053 3.909 3.960 0.003 0.000 0.212 315 G C 0.146 174.944 174.900 -0.170 0.000 1.137 315 G CA -0.163 44.833 45.100 -0.173 0.000 0.787 315 G HN 0.130 nan 8.290 nan 0.000 0.534 316 L N 1.253 122.331 121.223 -0.241 0.000 2.530 316 L HA 0.133 4.475 4.340 0.003 0.000 0.273 316 L C 0.587 177.374 176.870 -0.138 0.000 1.141 316 L CA -0.531 54.172 54.840 -0.228 0.000 0.905 316 L CB 0.751 42.592 42.059 -0.363 0.000 1.202 316 L HN -0.069 nan 8.230 nan 0.000 0.473 317 K N 4.410 124.768 120.400 -0.070 0.000 2.166 317 K HA 0.120 4.442 4.320 0.003 0.000 0.273 317 K C -0.604 175.995 176.600 -0.003 0.000 1.095 317 K CA -0.097 56.168 56.287 -0.036 0.000 0.985 317 K CB 0.182 32.678 32.500 -0.008 0.000 1.172 317 K HN 0.290 nan 8.250 nan 0.000 0.401 318 V N 4.119 124.024 119.914 -0.014 0.000 2.508 318 V HA 0.763 4.885 4.120 0.003 0.000 0.281 318 V C 0.343 176.455 176.094 0.031 0.000 1.041 318 V CA 1.076 63.411 62.300 0.059 0.000 1.016 318 V CB 0.075 31.940 31.823 0.070 0.000 0.984 318 V HN 0.917 nan 8.190 nan 0.000 0.478 319 G N 4.435 113.309 108.800 0.123 0.000 2.317 319 G HA2 0.195 4.157 3.960 0.003 0.000 0.293 319 G HA3 0.195 4.157 3.960 0.003 0.000 0.293 319 G C -1.247 173.770 174.900 0.195 0.000 1.287 319 G CA -0.322 44.752 45.100 -0.045 0.000 0.850 319 G HN 0.944 nan 8.290 nan 0.000 0.515 320 D N 0.405 120.860 120.400 0.092 0.000 2.472 320 D HA 0.332 4.974 4.640 0.003 0.000 0.248 320 D C -1.054 175.373 176.300 0.210 0.000 1.174 320 D CA -1.155 52.994 54.000 0.248 0.000 0.883 320 D CB 1.459 42.330 40.800 0.118 0.000 1.149 320 D HN 0.010 nan 8.370 nan 0.000 0.488 321 P HA -0.061 nan 4.420 nan 0.000 0.230 321 P C 1.077 178.442 177.300 0.108 0.000 1.158 321 P CA 0.583 63.771 63.100 0.146 0.000 0.769 321 P CB 0.135 31.904 31.700 0.114 0.000 0.807 322 M N -1.063 118.601 119.600 0.106 0.000 2.541 322 M HA 0.080 4.561 4.480 0.003 0.000 0.252 322 M C 0.172 176.513 176.300 0.068 0.000 1.125 322 M CA 0.504 55.852 55.300 0.080 0.000 1.091 322 M CB -0.999 31.646 32.600 0.076 0.000 1.420 322 M HN -0.091 nan 8.290 nan 0.000 0.486 323 D N 0.365 120.809 120.400 0.073 0.000 2.359 323 D HA 0.430 5.072 4.640 0.003 0.000 0.230 323 D C 1.003 177.339 176.300 0.060 0.000 1.118 323 D CA -0.002 54.031 54.000 0.056 0.000 0.844 323 D CB 1.278 42.105 40.800 0.046 0.000 1.059 323 D HN 0.130 nan 8.370 nan 0.000 0.493 324 A N 3.971 126.820 122.820 0.050 0.000 2.139 324 A HA -0.178 4.144 4.320 0.003 0.000 0.221 324 A C 1.529 179.144 177.584 0.052 0.000 1.159 324 A CA 1.226 53.292 52.037 0.049 0.000 0.662 324 A CB -0.188 18.834 19.000 0.037 0.000 0.796 324 A HN 0.683 nan 8.150 nan 0.000 0.463 325 D N 0.137 120.565 120.400 0.047 0.000 2.347 325 D HA -0.000 4.641 4.640 0.003 0.000 0.213 325 D C 0.743 177.077 176.300 0.055 0.000 0.985 325 D CA 0.923 54.949 54.000 0.043 0.000 0.879 325 D CB -0.028 40.787 40.800 0.025 0.000 0.919 325 D HN 0.560 nan 8.370 nan 0.000 0.526 326 S N -0.073 115.670 115.700 0.071 0.000 2.541 326 S HA 0.368 4.839 4.470 0.003 0.000 0.283 326 S C 0.608 175.289 174.600 0.134 0.000 1.196 326 S CA -0.677 57.576 58.200 0.089 0.000 1.062 326 S CB 2.312 65.570 63.200 0.096 0.000 1.009 326 S HN -0.169 nan 8.310 nan 0.000 0.502 327 Q N 0.764 120.655 119.800 0.151 0.000 2.319 327 Q HA 0.419 4.761 4.340 0.003 0.000 0.209 327 Q C -0.097 176.049 176.000 0.243 0.000 0.884 327 Q CA 0.346 56.303 55.803 0.256 0.000 0.938 327 Q CB 0.496 29.414 28.738 0.300 0.000 1.098 327 Q HN 0.743 nan 8.270 nan 0.000 0.517 328 M N -0.408 119.291 119.600 0.166 0.000 2.421 328 M HA 0.586 5.068 4.480 0.003 0.000 0.287 328 M C -1.060 175.363 176.300 0.205 0.000 1.183 328 M CA -0.576 54.825 55.300 0.169 0.000 0.916 328 M CB 1.747 34.418 32.600 0.118 0.000 1.701 328 M HN 0.198 nan 8.290 nan 0.000 0.470 329 G N 2.707 111.604 108.800 0.163 0.000 2.938 329 G HA2 0.817 4.779 3.960 0.003 0.000 0.258 329 G HA3 0.817 4.779 3.960 0.003 0.000 0.258 329 G C -3.062 171.789 174.900 -0.081 0.000 1.356 329 G CA -0.983 44.193 45.100 0.126 0.000 1.052 329 G HN 0.424 nan 8.290 nan 0.000 0.550 330 P HA 0.213 nan 4.420 nan 0.000 0.272 330 P C -0.513 176.569 177.300 -0.365 0.000 1.230 330 P CA -0.359 62.262 63.100 -0.798 0.000 0.788 330 P CB 0.910 31.863 31.700 -1.245 0.000 0.949 331 K N 0.564 120.794 120.400 -0.285 0.000 2.219 331 K HA 0.063 4.385 4.320 0.003 0.000 0.258 331 K C 1.361 177.793 176.600 -0.281 0.000 1.008 331 K CA -0.162 56.008 56.287 -0.195 0.000 0.928 331 K CB 0.042 32.471 32.500 -0.119 0.000 0.983 331 K HN 0.516 nan 8.250 nan 0.000 0.484 332 C N 1.417 120.529 119.300 -0.313 0.000 2.457 332 C HA -0.085 4.377 4.460 0.003 0.000 0.278 332 C C 0.684 175.418 174.990 -0.426 0.000 1.309 332 C CA 0.761 59.498 59.018 -0.470 0.000 1.735 332 C CB -0.942 26.213 27.740 -0.976 0.000 1.992 332 C HN 0.948 nan 8.230 nan 0.000 0.493 333 N N -2.397 116.088 118.700 -0.358 0.000 2.934 333 N HA 0.268 5.010 4.740 0.003 0.000 0.253 333 N C -0.281 175.137 175.510 -0.152 0.000 1.466 333 N CA -0.602 52.299 53.050 -0.248 0.000 0.858 333 N CB 0.396 38.725 38.487 -0.262 0.000 1.459 333 N HN -0.141 nan 8.380 nan 0.000 0.532 334 Q N -0.613 119.126 119.800 -0.101 0.000 2.167 334 Q HA 0.079 4.421 4.340 0.003 0.000 0.202 334 Q C 1.713 177.692 176.000 -0.035 0.000 0.970 334 Q CA 1.387 57.161 55.803 -0.048 0.000 0.855 334 Q CB -0.097 28.626 28.738 -0.025 0.000 0.911 334 Q HN 0.592 nan 8.270 nan 0.000 0.438 335 R N 0.317 120.788 120.500 -0.049 0.000 2.073 335 R HA -0.126 4.216 4.340 0.003 0.000 0.234 335 R C 1.768 178.062 176.300 -0.009 0.000 1.134 335 R CA 1.482 57.567 56.100 -0.026 0.000 0.952 335 R CB -0.116 30.167 30.300 -0.029 0.000 0.850 335 R HN 0.180 nan 8.270 nan 0.000 0.433 336 E N 0.292 120.479 120.200 -0.022 0.000 2.051 336 E HA -0.159 4.193 4.350 0.003 0.000 0.192 336 E C 2.021 178.605 176.600 -0.028 0.000 0.991 336 E CA 1.006 57.415 56.400 0.014 0.000 0.799 336 E CB -0.215 29.502 29.700 0.027 0.000 0.748 336 E HN 0.316 nan 8.360 nan 0.000 0.449 337 I N 1.983 122.524 120.570 -0.048 0.000 2.151 337 I HA -0.283 3.889 4.170 0.003 0.000 0.243 337 I C 1.831 177.929 176.117 -0.032 0.000 1.080 337 I CA 1.538 62.811 61.300 -0.045 0.000 1.339 337 I CB -0.866 37.147 38.000 0.020 0.000 1.039 337 I HN 0.083 nan 8.210 nan 0.000 0.409 338 D N 0.043 120.446 120.400 0.006 0.000 2.183 338 D HA -0.157 4.485 4.640 0.003 0.000 0.203 338 D C 1.867 178.194 176.300 0.044 0.000 0.969 338 D CA 0.938 54.959 54.000 0.035 0.000 0.842 338 D CB -0.245 40.574 40.800 0.031 0.000 0.957 338 D HN 0.333 nan 8.370 nan 0.000 0.484 339 N N 1.331 120.048 118.700 0.028 0.000 2.084 339 N HA -0.131 4.611 4.740 0.003 0.000 0.190 339 N C 2.076 177.609 175.510 0.039 0.000 1.030 339 N CA 1.113 54.203 53.050 0.066 0.000 0.849 339 N CB -0.216 38.312 38.487 0.067 0.000 1.012 339 N HN 0.299 nan 8.380 nan 0.000 0.423 340 I N -2.681 117.839 120.570 -0.084 0.000 2.546 340 I HA 0.009 4.181 4.170 0.003 0.000 0.255 340 I C 1.615 177.566 176.117 -0.276 0.000 1.163 340 I CA 1.382 62.553 61.300 -0.215 0.000 1.457 340 I CB -0.425 37.347 38.000 -0.379 0.000 1.092 340 I HN -0.028 nan 8.210 nan 0.000 0.434 341 D N 1.065 121.337 120.400 -0.213 0.000 2.117 341 D HA -0.286 4.356 4.640 0.003 0.000 0.198 341 D C 2.221 178.464 176.300 -0.095 0.000 0.982 341 D CA 1.601 55.542 54.000 -0.097 0.000 0.828 341 D CB -0.087 40.754 40.800 0.068 0.000 0.967 341 D HN 0.599 nan 8.370 nan 0.000 0.464 342 H N -0.132 118.915 119.070 -0.040 0.000 2.353 342 H HA -0.041 4.517 4.556 0.003 0.000 0.300 342 H C 1.853 177.197 175.328 0.027 0.000 1.090 342 H CA 1.706 57.777 56.048 0.037 0.000 1.327 342 H CB -0.306 29.484 29.762 0.046 0.000 1.383 342 H HN 0.232 nan 8.280 nan 0.000 0.508 343 I N -0.569 119.863 120.570 -0.230 0.000 2.353 343 I HA -0.193 3.979 4.170 0.003 0.000 0.248 343 I C 2.350 178.380 176.117 -0.144 0.000 1.119 343 I CA 0.671 61.830 61.300 -0.235 0.000 1.417 343 I CB -0.158 37.785 38.000 -0.094 0.000 1.078 343 I HN 0.163 nan 8.210 nan 0.000 0.421 344 V N 0.701 120.540 119.914 -0.125 0.000 2.255 344 V HA -0.356 3.766 4.120 0.003 0.000 0.247 344 V C 2.328 178.397 176.094 -0.041 0.000 1.051 344 V CA 2.291 64.541 62.300 -0.084 0.000 1.018 344 V CB -0.919 30.860 31.823 -0.073 0.000 0.641 344 V HN 0.475 nan 8.190 nan 0.000 0.445 345 H N -0.946 118.128 119.070 0.007 0.000 2.389 345 H HA -0.159 4.399 4.556 0.003 0.000 0.299 345 H C 2.359 177.672 175.328 -0.025 0.000 1.081 345 H CA 1.369 57.422 56.048 0.009 0.000 1.345 345 H CB 0.207 29.993 29.762 0.039 0.000 1.393 345 H HN 0.355 nan 8.280 nan 0.000 0.520 346 E N 0.631 120.843 120.200 0.019 0.000 2.208 346 E HA -0.046 4.305 4.350 0.003 0.000 0.193 346 E C 2.152 178.746 176.600 -0.010 0.000 0.988 346 E CA 0.754 57.136 56.400 -0.031 0.000 0.828 346 E CB -0.000 29.604 29.700 -0.161 0.000 0.763 346 E HN 0.458 nan 8.360 nan 0.000 0.478 347 A N 0.327 123.142 122.820 -0.008 0.000 1.873 347 A HA -0.116 4.206 4.320 0.003 0.000 0.215 347 A C 2.171 179.772 177.584 0.028 0.000 1.186 347 A CA 1.238 53.280 52.037 0.008 0.000 0.616 347 A CB -0.636 18.368 19.000 0.007 0.000 0.823 347 A HN 0.278 nan 8.150 nan 0.000 0.442 348 I N -0.128 120.471 120.570 0.048 0.000 2.091 348 I HA -0.356 3.816 4.170 0.003 0.000 0.239 348 I C 2.460 178.602 176.117 0.043 0.000 1.061 348 I CA 1.997 63.331 61.300 0.057 0.000 1.317 348 I CB -0.393 37.662 38.000 0.090 0.000 1.031 348 I HN 0.269 nan 8.210 nan 0.000 0.401 349 K N 0.312 120.737 120.400 0.043 0.000 2.127 349 K HA -0.281 4.040 4.320 0.003 0.000 0.208 349 K C 2.073 178.685 176.600 0.020 0.000 1.047 349 K CA 1.751 58.056 56.287 0.029 0.000 0.927 349 K CB -0.250 32.268 32.500 0.029 0.000 0.716 349 K HN 0.453 nan 8.250 nan 0.000 0.450 350 Q N -1.194 118.616 119.800 0.017 0.000 2.472 350 Q HA 0.022 4.364 4.340 0.003 0.000 0.208 350 Q C 0.512 176.520 176.000 0.012 0.000 0.958 350 Q CA 0.618 56.428 55.803 0.011 0.000 0.932 350 Q CB 0.820 29.562 28.738 0.006 0.000 1.007 350 Q HN 0.525 nan 8.270 nan 0.000 0.508 351 G N -0.392 108.419 108.800 0.018 0.000 2.188 351 G HA2 0.018 3.980 3.960 0.003 0.000 0.112 351 G HA3 0.018 3.980 3.960 0.003 0.000 0.112 351 G C -0.451 174.463 174.900 0.023 0.000 1.048 351 G CA -0.285 44.826 45.100 0.019 0.000 0.720 351 G HN 0.336 nan 8.290 nan 0.000 0.487 352 A N 0.275 123.112 122.820 0.029 0.000 2.342 352 A HA 0.884 5.206 4.320 0.003 0.000 0.323 352 A C 0.380 177.989 177.584 0.042 0.000 1.125 352 A CA -0.019 52.039 52.037 0.034 0.000 0.785 352 A CB 1.104 20.124 19.000 0.033 0.000 1.221 352 A HN 0.676 nan 8.150 nan 0.000 0.463 353 T N 1.590 116.172 114.554 0.047 0.000 2.869 353 T HA 0.385 4.737 4.350 0.003 0.000 0.295 353 T C 0.218 174.950 174.700 0.054 0.000 0.987 353 T CA -0.209 61.921 62.100 0.049 0.000 1.109 353 T CB 0.946 69.847 68.868 0.054 0.000 0.932 353 T HN 0.403 nan 8.240 nan 0.000 0.518 354 V N 3.040 122.983 119.914 0.049 0.000 2.488 354 V HA 0.361 4.483 4.120 0.003 0.000 0.277 354 V C 1.124 177.239 176.094 0.034 0.000 1.046 354 V CA -0.093 62.235 62.300 0.046 0.000 0.986 354 V CB 0.715 32.563 31.823 0.042 0.000 0.989 354 V HN 1.147 nan 8.190 nan 0.000 0.475 355 A N 4.489 127.330 122.820 0.035 0.000 1.956 355 A HA 0.324 4.646 4.320 0.003 0.000 0.212 355 A C 0.930 178.502 177.584 -0.020 0.000 1.188 355 A CA 0.876 52.921 52.037 0.013 0.000 0.675 355 A CB 0.220 19.235 19.000 0.025 0.000 0.845 355 A HN 0.744 nan 8.150 nan 0.000 0.455 356 T N -2.212 112.330 114.554 -0.019 0.000 2.840 356 T HA 0.583 4.935 4.350 0.003 0.000 0.317 356 T C -0.084 174.598 174.700 -0.029 0.000 1.401 356 T CA -0.001 62.069 62.100 -0.050 0.000 1.028 356 T CB 1.223 70.030 68.868 -0.102 0.000 1.317 356 T HN 1.829 nan 8.240 nan 0.000 0.495 357 G N -0.640 108.125 108.800 -0.058 0.000 2.787 357 G HA2 0.362 4.323 3.960 0.003 0.000 0.685 357 G HA3 0.362 4.323 3.960 0.003 0.000 0.685 357 G C 0.362 175.217 174.900 -0.074 0.000 1.437 357 G CA 0.062 45.118 45.100 -0.074 0.000 0.872 357 G HN 2.205 nan 8.290 nan 0.000 0.566 358 G N -0.397 108.270 108.800 -0.221 0.000 2.542 358 G HA2 0.437 4.399 3.960 0.003 0.000 0.223 358 G HA3 0.437 4.399 3.960 0.003 0.000 0.223 358 G C -0.201 174.398 174.900 -0.502 0.000 1.041 358 G CA 0.735 45.694 45.100 -0.236 0.000 0.928 358 G HN 0.859 nan 8.290 nan 0.000 0.558 370 C N 1.456 120.563 119.300 -0.321 0.000 2.250 370 C HA 0.629 5.091 4.460 0.003 0.000 0.319 370 C C -0.870 173.901 174.990 -0.366 0.000 1.124 370 C CA -0.801 58.077 59.018 -0.233 0.000 1.527 370 C CB -1.587 26.018 27.740 -0.226 0.000 2.001 370 C HN 0.543 nan 8.230 nan 0.000 0.435 371 W N 2.227 123.559 121.300 0.054 0.000 2.554 371 W HA 0.554 5.216 4.660 0.003 0.000 0.324 371 W C -0.214 176.376 176.519 0.117 0.000 1.018 371 W CA -0.579 56.805 57.345 0.065 0.000 1.243 371 W CB 0.554 30.028 29.460 0.023 0.000 1.345 371 W HN 0.548 nan 8.180 nan 0.000 0.441 372 Y N 2.186 122.588 120.300 0.170 0.000 2.596 372 Y HA 0.509 5.060 4.550 0.003 0.000 0.326 372 Y C 0.341 176.312 175.900 0.119 0.000 1.167 372 Y CA -0.971 57.197 58.100 0.113 0.000 1.246 372 Y CB 1.527 40.025 38.460 0.064 0.000 1.347 372 Y HN 0.499 nan 8.280 nan 0.000 0.515 373 E N 1.625 121.786 120.200 -0.065 0.000 2.238 373 E HA 0.403 4.755 4.350 0.003 0.000 0.267 373 E C -2.927 173.723 176.600 0.084 0.000 0.887 373 E CA -2.745 53.644 56.400 -0.018 0.000 0.769 373 E CB 1.787 31.405 29.700 -0.137 0.000 1.187 373 E HN 0.206 nan 8.360 nan 0.000 0.416 374 P HA -0.111 nan 4.420 nan 0.000 0.248 374 P C -0.967 176.366 177.300 0.055 0.000 1.127 374 P CA 0.817 63.906 63.100 -0.019 0.000 0.801 374 P CB 0.009 31.421 31.700 -0.480 0.000 0.732 375 T N 3.428 118.151 114.554 0.282 0.000 2.770 375 T HA 0.409 4.761 4.350 0.003 0.000 0.283 375 T C -0.077 174.755 174.700 0.220 0.000 0.988 375 T CA -0.457 61.764 62.100 0.203 0.000 0.957 375 T CB 0.929 69.953 68.868 0.259 0.000 0.930 375 T HN -0.086 nan 8.240 nan 0.000 0.443 376 V N 5.314 125.307 119.914 0.132 0.000 2.448 376 V HA 0.506 4.628 4.120 0.003 0.000 0.295 376 V C -0.487 175.671 176.094 0.107 0.000 1.025 376 V CA -0.870 61.516 62.300 0.145 0.000 0.859 376 V CB 1.489 33.372 31.823 0.100 0.000 0.988 376 V HN 0.738 nan 8.190 nan 0.000 0.431 377 L N 6.255 127.546 121.223 0.114 0.000 2.316 377 L HA 0.670 5.012 4.340 0.003 0.000 0.280 377 L C -0.028 176.903 176.870 0.101 0.000 1.006 377 L CA -0.709 54.185 54.840 0.089 0.000 0.836 377 L CB 1.571 43.671 42.059 0.068 0.000 1.221 377 L HN 0.577 nan 8.230 nan 0.000 0.418 378 V N -1.408 118.571 119.914 0.109 0.000 3.234 378 V HA 0.530 4.651 4.120 0.003 0.000 0.317 378 V C 0.435 176.585 176.094 0.093 0.000 1.081 378 V CA -0.592 61.791 62.300 0.138 0.000 1.037 378 V CB 1.288 33.227 31.823 0.194 0.000 1.148 378 V HN 0.804 nan 8.190 nan 0.000 0.453 379 D N -0.735 119.715 120.400 0.083 0.000 2.837 379 D HA -0.141 4.501 4.640 0.003 0.000 0.230 379 D C -0.171 176.144 176.300 0.025 0.000 1.152 379 D CA 0.914 54.938 54.000 0.041 0.000 0.736 379 D CB -0.918 39.910 40.800 0.046 0.000 1.084 379 D HN 0.551 nan 8.370 nan 0.000 0.429 380 V N 0.551 120.477 119.914 0.020 0.000 2.432 380 V HA 0.183 4.305 4.120 0.003 0.000 0.275 380 V C 0.942 177.028 176.094 -0.014 0.000 1.043 380 V CA -0.259 62.044 62.300 0.005 0.000 0.925 380 V CB 1.671 33.494 31.823 0.000 0.000 0.985 380 V HN -0.018 nan 8.190 nan 0.000 0.466 381 K N 2.810 123.200 120.400 -0.017 0.000 2.127 381 K HA 0.310 4.632 4.320 0.003 0.000 0.240 381 K C 0.983 177.540 176.600 -0.073 0.000 1.024 381 K CA -0.564 55.701 56.287 -0.037 0.000 0.918 381 K CB 0.516 33.001 32.500 -0.026 0.000 1.108 381 K HN 0.486 nan 8.250 nan 0.000 0.485 382 Q N 1.502 121.199 119.800 -0.171 0.000 2.084 382 Q HA -0.191 4.151 4.340 0.003 0.000 0.202 382 Q C 0.893 176.880 176.000 -0.022 0.000 0.978 382 Q CA 2.211 57.842 55.803 -0.286 0.000 0.844 382 Q CB -0.232 28.007 28.738 -0.832 0.000 0.898 382 Q HN 0.730 nan 8.270 nan 0.000 0.426 383 D N -0.746 119.653 120.400 -0.002 0.000 2.349 383 D HA -0.071 4.571 4.640 0.003 0.000 0.224 383 D C 0.002 176.320 176.300 0.029 0.000 1.029 383 D CA -0.092 53.929 54.000 0.035 0.000 0.879 383 D CB -0.734 40.045 40.800 -0.036 0.000 0.906 383 D HN 0.189 nan 8.370 nan 0.000 0.528 384 N N 1.231 119.968 118.700 0.061 0.000 2.441 384 N HA -0.080 4.662 4.740 0.003 0.000 0.251 384 N C 1.268 176.844 175.510 0.109 0.000 1.242 384 N CA -0.338 52.743 53.050 0.052 0.000 0.898 384 N CB 0.937 39.442 38.487 0.030 0.000 1.100 384 N HN -0.020 nan 8.380 nan 0.000 0.443 385 I N 3.393 123.996 120.570 0.054 0.000 2.335 385 I HA -0.198 3.973 4.170 0.003 0.000 0.251 385 I C 1.783 177.955 176.117 0.090 0.000 1.129 385 I CA 1.245 62.581 61.300 0.061 0.000 1.402 385 I CB -0.045 37.958 38.000 0.006 0.000 1.069 385 I HN 0.371 nan 8.210 nan 0.000 0.424 386 V N 0.455 120.402 119.914 0.055 0.000 3.217 386 V HA -0.107 4.015 4.120 0.003 0.000 0.264 386 V C 2.211 178.317 176.094 0.021 0.000 1.135 386 V CA 0.909 63.227 62.300 0.030 0.000 1.142 386 V CB 0.170 31.997 31.823 0.007 0.000 0.754 386 V HN 0.304 nan 8.190 nan 0.000 0.484 387 V N -0.453 119.480 119.914 0.032 0.000 2.719 387 V HA -0.102 4.020 4.120 0.003 0.000 0.252 387 V C 2.129 178.138 176.094 -0.142 0.000 1.065 387 V CA 1.823 64.079 62.300 -0.074 0.000 1.086 387 V CB -0.817 30.941 31.823 -0.108 0.000 0.700 387 V HN 0.667 nan 8.190 nan 0.000 0.467 388 H N -0.247 118.850 119.070 0.045 0.000 2.481 388 H HA 0.242 4.800 4.556 0.003 0.000 0.291 388 H C 0.987 176.391 175.328 0.127 0.000 1.009 388 H CA 0.156 56.251 56.048 0.080 0.000 1.282 388 H CB 0.924 30.714 29.762 0.047 0.000 1.457 388 H HN 0.431 nan 8.280 nan 0.000 0.525 389 E N 2.553 122.880 120.200 0.213 0.000 2.194 389 E HA 0.027 4.379 4.350 0.003 0.000 0.284 389 E C -0.257 176.429 176.600 0.143 0.000 1.035 389 E CA -0.242 56.269 56.400 0.184 0.000 0.836 389 E CB 0.873 30.649 29.700 0.128 0.000 1.070 389 E HN 0.228 nan 8.360 nan 0.000 0.401 390 E N 3.588 123.886 120.200 0.163 0.000 2.498 390 E HA -0.073 4.279 4.350 0.003 0.000 0.252 390 E C 0.567 177.210 176.600 0.072 0.000 1.025 390 E CA 0.432 56.859 56.400 0.045 0.000 0.938 390 E CB 0.643 30.265 29.700 -0.130 0.000 0.947 390 E HN 0.750 nan 8.360 nan 0.000 0.478 391 T N 2.617 117.209 114.554 0.063 0.000 2.851 391 T HA -0.121 4.231 4.350 0.003 0.000 0.262 391 T C 1.138 175.932 174.700 0.156 0.000 1.043 391 T CA 0.620 62.758 62.100 0.064 0.000 1.140 391 T CB -0.362 68.505 68.868 -0.002 0.000 0.872 391 T HN 0.738 nan 8.240 nan 0.000 0.446 392 F N 1.468 121.387 119.950 -0.052 0.000 3.057 392 F HA -0.163 4.366 4.527 0.003 0.000 0.287 392 F C 0.426 176.223 175.800 -0.006 0.000 0.834 392 F CA 0.308 58.288 58.000 -0.032 0.000 1.147 392 F CB -1.080 37.915 39.000 -0.008 0.000 1.245 392 F HN 0.722 nan 8.300 nan 0.000 0.509 393 G N -0.534 108.210 108.800 -0.093 0.000 2.721 393 G HA2 0.553 4.515 3.960 0.003 0.000 0.296 393 G HA3 0.553 4.515 3.960 0.003 0.000 0.296 393 G C -2.977 171.847 174.900 -0.126 0.000 1.383 393 G CA -0.529 44.492 45.100 -0.131 0.000 0.788 393 G HN -0.200 nan 8.290 nan 0.000 0.500 394 P HA 0.224 nan 4.420 nan 0.000 0.237 394 P C -0.779 176.584 177.300 0.105 0.000 1.701 394 P CA 0.196 63.326 63.100 0.050 0.000 0.955 394 P CB -0.490 31.423 31.700 0.355 0.000 1.937 395 I N 1.021 121.559 120.570 -0.053 0.000 2.447 395 I HA 0.308 4.480 4.170 0.003 0.000 0.287 395 I C -0.041 176.057 176.117 -0.030 0.000 1.023 395 I CA -0.416 60.896 61.300 0.020 0.000 1.083 395 I CB 2.501 40.500 38.000 -0.001 0.000 1.245 395 I HN -0.044 nan 8.210 nan 0.000 0.434 396 L N 8.800 130.054 121.223 0.052 0.000 2.442 396 L HA 0.539 4.881 4.340 0.003 0.000 0.261 396 L C -2.418 174.498 176.870 0.077 0.000 1.000 396 L CA -1.592 53.276 54.840 0.045 0.000 0.882 396 L CB 1.911 44.045 42.059 0.125 0.000 1.207 396 L HN 0.309 nan 8.230 nan 0.000 0.443 397 P HA 0.270 nan 4.420 nan 0.000 0.274 397 P C -0.900 176.391 177.300 -0.014 0.000 1.231 397 P CA -0.034 63.067 63.100 0.001 0.000 0.790 397 P CB 1.501 33.170 31.700 -0.051 0.000 0.951 398 I N 1.454 122.040 120.570 0.026 0.000 2.499 398 I HA 0.325 4.497 4.170 0.003 0.000 0.288 398 I C -0.419 175.701 176.117 0.006 0.000 1.048 398 I CA -0.929 60.394 61.300 0.039 0.000 1.062 398 I CB 2.343 40.477 38.000 0.224 0.000 1.238 398 I HN -0.016 nan 8.210 nan 0.000 0.426 399 V N 5.548 125.428 119.914 -0.057 0.000 2.540 399 V HA 0.402 4.524 4.120 0.003 0.000 0.302 399 V C -0.025 176.137 176.094 0.113 0.000 1.035 399 V CA -1.010 61.302 62.300 0.019 0.000 0.873 399 V CB 1.936 33.792 31.823 0.055 0.000 0.992 399 V HN 0.602 nan 8.190 nan 0.000 0.428 400 K N 2.727 123.126 120.400 -0.000 0.000 2.237 400 K HA 0.602 4.923 4.320 0.003 0.000 0.270 400 K C -0.466 176.199 176.600 0.108 0.000 1.015 400 K CA -0.260 55.995 56.287 -0.053 0.000 0.949 400 K CB 1.405 33.748 32.500 -0.261 0.000 0.976 400 K HN 0.638 nan 8.250 nan 0.000 0.472 401 V N -1.216 118.721 119.914 0.039 0.000 2.789 401 V HA 0.338 4.460 4.120 0.003 0.000 0.311 401 V C 0.621 176.584 176.094 -0.218 0.000 1.073 401 V CA -0.605 61.682 62.300 -0.021 0.000 0.921 401 V CB 1.845 33.671 31.823 0.006 0.000 1.009 401 V HN 0.849 nan 8.190 nan 0.000 0.426 402 S N 1.617 117.193 115.700 -0.206 0.000 2.501 402 S HA 0.295 4.767 4.470 0.003 0.000 0.220 402 S C 0.713 175.249 174.600 -0.106 0.000 0.997 402 S CA 0.504 58.560 58.200 -0.239 0.000 0.919 402 S CB -0.390 62.730 63.200 -0.135 0.000 0.778 402 S HN 1.918 nan 8.310 nan 0.000 0.523 403 S N -0.708 114.977 115.700 -0.026 0.000 2.611 403 S HA 0.545 5.017 4.470 0.003 0.000 0.268 403 S C 0.253 174.860 174.600 0.013 0.000 1.156 403 S CA -0.505 57.739 58.200 0.073 0.000 0.817 403 S CB 0.912 64.103 63.200 -0.015 0.000 1.122 403 S HN 0.025 nan 8.310 nan 0.000 0.466 404 M N 1.222 120.817 119.600 -0.009 0.000 2.099 404 M HA 0.107 4.589 4.480 0.003 0.000 0.262 404 M C 1.637 177.872 176.300 -0.108 0.000 1.067 404 M CA 1.990 57.255 55.300 -0.058 0.000 1.124 404 M CB -1.445 31.121 32.600 -0.058 0.000 1.353 404 M HN 0.849 nan 8.290 nan 0.000 0.410 405 E N -0.015 120.122 120.200 -0.106 0.000 2.070 405 E HA -0.293 4.059 4.350 0.003 0.000 0.197 405 E C 2.053 178.529 176.600 -0.207 0.000 1.004 405 E CA 2.064 58.387 56.400 -0.128 0.000 0.805 405 E CB -0.482 29.157 29.700 -0.102 0.000 0.744 405 E HN 0.756 nan 8.360 nan 0.000 0.451 406 Q N -0.243 119.387 119.800 -0.282 0.000 2.119 406 Q HA -0.114 4.228 4.340 0.003 0.000 0.201 406 Q C 2.058 177.632 176.000 -0.710 0.000 0.972 406 Q CA 1.418 56.898 55.803 -0.539 0.000 0.847 406 Q CB -0.161 28.235 28.738 -0.570 0.000 0.903 406 Q HN 0.290 nan 8.270 nan 0.000 0.433 407 A N 0.990 123.541 122.820 -0.447 0.000 1.902 407 A HA -0.175 4.147 4.320 0.003 0.000 0.217 407 A C 1.926 179.314 177.584 -0.326 0.000 1.181 407 A CA 1.364 53.161 52.037 -0.400 0.000 0.623 407 A CB -0.565 18.319 19.000 -0.194 0.000 0.818 407 A HN 0.466 nan 8.150 nan 0.000 0.443 408 I N 0.188 120.626 120.570 -0.219 0.000 2.142 408 I HA -0.220 3.952 4.170 0.003 0.000 0.240 408 I C 2.316 178.363 176.117 -0.118 0.000 1.078 408 I CA 1.521 62.736 61.300 -0.142 0.000 1.343 408 I CB -1.861 36.075 38.000 -0.106 0.000 1.046 408 I HN 0.453 nan 8.210 nan 0.000 0.405 409 E N 0.164 120.276 120.200 -0.147 0.000 2.114 409 E HA -0.245 4.106 4.350 0.003 0.000 0.199 409 E C 2.204 178.860 176.600 0.093 0.000 1.008 409 E CA 1.414 57.777 56.400 -0.062 0.000 0.810 409 E CB -0.178 29.446 29.700 -0.126 0.000 0.739 409 E HN 0.306 nan 8.360 nan 0.000 0.456 410 F N 0.134 119.961 119.950 -0.205 0.000 2.206 410 F HA -0.114 4.415 4.527 0.003 0.000 0.298 410 F C 2.436 178.115 175.800 -0.201 0.000 1.090 410 F CA 0.075 57.925 58.000 -0.250 0.000 1.323 410 F CB -1.078 37.581 39.000 -0.569 0.000 1.028 410 F HN 0.138 nan 8.300 nan 0.000 0.492 411 C N 0.454 119.721 119.300 -0.055 0.000 2.432 411 C HA -0.174 4.288 4.460 0.003 0.000 0.277 411 C C 2.411 177.437 174.990 0.059 0.000 1.249 411 C CA 1.033 60.072 59.018 0.034 0.000 1.725 411 C CB -1.158 26.577 27.740 -0.009 0.000 2.028 411 C HN 0.403 nan 8.230 nan 0.000 0.477 412 N N 0.841 119.564 118.700 0.039 0.000 2.512 412 N HA -0.055 4.686 4.740 0.003 0.000 0.183 412 N C 0.338 175.894 175.510 0.078 0.000 1.073 412 N CA 0.826 53.907 53.050 0.051 0.000 0.911 412 N CB -0.517 37.993 38.487 0.038 0.000 0.964 412 N HN 0.528 nan 8.380 nan 0.000 0.447 413 D N 0.336 120.793 120.400 0.094 0.000 2.608 413 D HA 0.155 4.797 4.640 0.003 0.000 0.224 413 D C -0.857 175.500 176.300 0.094 0.000 1.123 413 D CA 0.079 54.152 54.000 0.121 0.000 1.030 413 D CB -0.253 40.639 40.800 0.155 0.000 1.093 413 D HN -0.118 nan 8.370 nan 0.000 0.497 414 S N 0.769 116.530 115.700 0.101 0.000 2.547 414 S HA 0.318 4.790 4.470 0.003 0.000 0.270 414 S C 0.697 175.330 174.600 0.055 0.000 1.150 414 S CA -0.840 57.420 58.200 0.100 0.000 0.850 414 S CB 0.656 63.926 63.200 0.116 0.000 1.118 414 S HN 0.290 nan 8.310 nan 0.000 0.461 415 I N 0.304 120.849 120.570 -0.042 0.000 3.603 415 I HA 0.397 4.569 4.170 0.003 0.000 0.297 415 I C -0.190 175.750 176.117 -0.294 0.000 1.269 415 I CA -0.034 61.145 61.300 -0.202 0.000 1.361 415 I CB -0.192 37.621 38.000 -0.312 0.000 1.063 415 I HN 0.413 nan 8.210 nan 0.000 0.448 416 Y N 1.465 121.797 120.300 0.053 0.000 2.480 416 Y HA 0.708 5.259 4.550 0.003 0.000 0.323 416 Y C 1.068 176.997 175.900 0.048 0.000 1.267 416 Y CA -0.576 57.550 58.100 0.044 0.000 1.336 416 Y CB 1.456 39.935 38.460 0.032 0.000 1.361 416 Y HN -0.053 nan 8.280 nan 0.000 0.518 417 G N 0.556 109.492 108.800 0.226 0.000 5.114 417 G HA2 0.166 4.128 3.960 0.003 0.000 0.209 417 G HA3 0.166 4.128 3.960 0.003 0.000 0.209 417 G C -0.345 174.551 174.900 -0.007 0.000 1.021 417 G CA -0.231 44.928 45.100 0.098 0.000 0.608 417 G HN 0.497 nan 8.290 nan 0.000 0.360 418 L N 0.459 121.674 121.223 -0.013 0.000 2.071 418 L HA 0.513 4.855 4.340 0.003 0.000 0.201 418 L C 0.915 177.707 176.870 -0.130 0.000 1.076 418 L CA 1.636 56.419 54.840 -0.096 0.000 0.755 418 L CB -0.084 41.933 42.059 -0.071 0.000 0.915 418 L HN 0.194 nan 8.230 nan 0.000 0.445 419 S N -1.701 113.954 115.700 -0.075 0.000 2.618 419 S HA 0.890 5.362 4.470 0.003 0.000 0.277 419 S C -1.024 173.489 174.600 -0.146 0.000 1.138 419 S CA -0.264 57.877 58.200 -0.099 0.000 0.844 419 S CB 1.914 65.088 63.200 -0.043 0.000 1.127 419 S HN 0.438 nan 8.310 nan 0.000 0.474 420 A N 0.819 123.484 122.820 -0.258 0.000 2.589 420 A HA 0.772 5.094 4.320 0.003 0.000 0.296 420 A C -2.355 175.059 177.584 -0.282 0.000 1.062 420 A CA -0.700 51.233 52.037 -0.174 0.000 0.686 420 A CB 0.974 19.927 19.000 -0.079 0.000 1.282 420 A HN 0.710 nan 8.150 nan 0.000 0.404 421 Y N 0.337 120.679 120.300 0.071 0.000 2.361 421 Y HA 0.570 5.122 4.550 0.003 0.000 0.337 421 Y C -0.241 175.673 175.900 0.025 0.000 0.965 421 Y CA -0.889 57.243 58.100 0.054 0.000 1.091 421 Y CB 2.450 40.910 38.460 -0.000 0.000 1.182 421 Y HN 0.439 nan 8.280 nan 0.000 0.450 422 V N 3.537 123.514 119.914 0.105 0.000 2.487 422 V HA 0.343 4.465 4.120 0.003 0.000 0.298 422 V C -0.722 175.348 176.094 -0.040 0.000 1.028 422 V CA -0.821 61.505 62.300 0.043 0.000 0.860 422 V CB 1.409 33.233 31.823 0.002 0.000 0.991 422 V HN 0.711 nan 8.190 nan 0.000 0.427 423 H N 2.890 121.979 119.070 0.033 0.000 2.638 423 H HA 0.718 5.276 4.556 0.003 0.000 0.317 423 H C -0.269 175.052 175.328 -0.011 0.000 1.006 423 H CA 0.179 56.234 56.048 0.012 0.000 1.222 423 H CB 1.915 31.668 29.762 -0.015 0.000 1.419 423 H HN 0.778 nan 8.280 nan 0.000 0.489 424 T N 2.089 116.708 114.554 0.108 0.000 2.827 424 T HA 0.111 4.463 4.350 0.003 0.000 0.328 424 T C 0.102 174.834 174.700 0.053 0.000 1.598 424 T CA -0.483 61.647 62.100 0.051 0.000 1.043 424 T CB 1.595 70.469 68.868 0.010 0.000 1.447 424 T HN 0.629 nan 8.240 nan 0.000 0.491 425 Q N 0.695 120.518 119.800 0.039 0.000 2.319 425 Q HA 0.259 4.601 4.340 0.003 0.000 0.209 425 Q C 0.448 176.481 176.000 0.055 0.000 0.884 425 Q CA -0.093 55.738 55.803 0.046 0.000 0.938 425 Q CB 0.708 29.468 28.738 0.037 0.000 1.098 425 Q HN 0.525 nan 8.270 nan 0.000 0.517 426 S N -0.304 115.422 115.700 0.044 0.000 2.489 426 S HA 0.115 4.587 4.470 0.003 0.000 0.277 426 S C 0.486 175.149 174.600 0.105 0.000 1.230 426 S CA -0.585 57.652 58.200 0.063 0.000 1.053 426 S CB 0.393 63.604 63.200 0.018 0.000 0.955 426 S HN 0.380 nan 8.310 nan 0.000 0.488 427 F N 5.191 125.132 119.950 -0.016 0.000 2.102 427 F HA -0.005 4.524 4.527 0.003 0.000 0.298 427 F C 2.256 178.045 175.800 -0.018 0.000 1.105 427 F CA 1.734 59.725 58.000 -0.015 0.000 1.239 427 F CB -0.506 38.486 39.000 -0.012 0.000 0.991 427 F HN 0.755 nan 8.300 nan 0.000 0.474 428 A N 0.334 123.125 122.820 -0.049 0.000 1.972 428 A HA -0.217 4.105 4.320 0.003 0.000 0.219 428 A C 1.851 179.343 177.584 -0.153 0.000 1.169 428 A CA 2.000 53.946 52.037 -0.152 0.000 0.635 428 A CB -0.807 18.176 19.000 -0.029 0.000 0.810 428 A HN 0.515 nan 8.150 nan 0.000 0.446 429 N N -0.373 118.269 118.700 -0.096 0.000 2.333 429 N HA 0.060 4.802 4.740 0.003 0.000 0.178 429 N C 1.520 176.969 175.510 -0.101 0.000 1.018 429 N CA 0.897 53.895 53.050 -0.086 0.000 0.882 429 N CB -0.295 38.159 38.487 -0.056 0.000 0.984 429 N HN 0.539 nan 8.380 nan 0.000 0.434 430 I N 1.025 121.529 120.570 -0.110 0.000 2.286 430 I HA -0.189 3.983 4.170 0.003 0.000 0.245 430 I C 1.521 177.539 176.117 -0.165 0.000 1.104 430 I CA 0.734 61.969 61.300 -0.108 0.000 1.397 430 I CB -0.107 37.857 38.000 -0.059 0.000 1.072 430 I HN 0.078 nan 8.210 nan 0.000 0.417 431 N N 0.461 118.997 118.700 -0.273 0.000 2.166 431 N HA -0.232 4.510 4.740 0.003 0.000 0.186 431 N C 1.787 177.188 175.510 -0.182 0.000 1.019 431 N CA 1.144 54.023 53.050 -0.285 0.000 0.856 431 N CB -0.281 37.935 38.487 -0.451 0.000 0.993 431 N HN 0.473 nan 8.380 nan 0.000 0.426 432 Q N 0.391 120.097 119.800 -0.157 0.000 2.083 432 Q HA 0.016 4.358 4.340 0.003 0.000 0.198 432 Q C 1.933 177.874 176.000 -0.099 0.000 0.969 432 Q CA 1.230 56.965 55.803 -0.113 0.000 0.838 432 Q CB -0.013 28.666 28.738 -0.099 0.000 0.900 432 Q HN 0.339 nan 8.270 nan 0.000 0.436 433 A N 0.924 123.683 122.820 -0.101 0.000 1.865 433 A HA -0.214 4.108 4.320 0.003 0.000 0.217 433 A C 1.978 179.498 177.584 -0.106 0.000 1.191 433 A CA 1.516 53.496 52.037 -0.095 0.000 0.623 433 A CB -0.797 18.152 19.000 -0.085 0.000 0.826 433 A HN 0.455 nan 8.150 nan 0.000 0.444 434 I N -0.830 119.673 120.570 -0.111 0.000 2.179 434 I HA -0.230 3.942 4.170 0.003 0.000 0.242 434 I C 2.864 178.927 176.117 -0.091 0.000 1.088 434 I CA 1.603 62.837 61.300 -0.110 0.000 1.357 434 I CB -0.274 37.664 38.000 -0.103 0.000 1.051 434 I HN 0.416 nan 8.210 nan 0.000 0.409 435 S N 0.235 115.887 115.700 -0.080 0.000 2.368 435 S HA -0.194 4.278 4.470 0.003 0.000 0.225 435 S C 1.520 176.099 174.600 -0.035 0.000 1.030 435 S CA 1.990 60.159 58.200 -0.052 0.000 0.999 435 S CB -0.111 63.053 63.200 -0.059 0.000 0.844 435 S HN 0.392 nan 8.310 nan 0.000 0.459 436 D N -0.014 120.355 120.400 -0.052 0.000 2.423 436 D HA 0.293 4.934 4.640 0.003 0.000 0.212 436 D C 0.218 176.492 176.300 -0.043 0.000 1.060 436 D CA -0.070 53.909 54.000 -0.036 0.000 0.872 436 D CB 0.017 40.790 40.800 -0.045 0.000 1.012 436 D HN 0.332 nan 8.370 nan 0.000 0.503 437 L N 1.349 122.521 121.223 -0.084 0.000 2.461 437 L HA 0.125 4.467 4.340 0.003 0.000 0.272 437 L C 0.468 177.234 176.870 -0.173 0.000 1.197 437 L CA 0.411 55.181 54.840 -0.116 0.000 0.836 437 L CB 0.654 42.624 42.059 -0.149 0.000 1.105 437 L HN -0.164 nan 8.230 nan 0.000 0.477 438 E N 2.915 123.023 120.200 -0.154 0.000 2.884 438 E HA 0.276 4.628 4.350 0.003 0.000 0.221 438 E C -1.028 175.354 176.600 -0.365 0.000 1.137 438 E CA -0.217 56.107 56.400 -0.127 0.000 1.160 438 E CB 0.762 30.546 29.700 0.139 0.000 1.385 438 E HN 0.394 nan 8.360 nan 0.000 0.442 439 V N -3.330 116.017 119.914 -0.946 0.000 3.159 439 V HA 0.671 4.792 4.120 0.003 0.000 0.308 439 V C 0.958 176.097 176.094 -1.591 0.000 1.190 439 V CA -0.762 60.978 62.300 -0.933 0.000 1.037 439 V CB 1.370 32.918 31.823 -0.459 0.000 1.060 439 V HN 0.228 nan 8.190 nan 0.000 0.437 440 G N -0.291 107.860 108.800 -1.081 0.000 2.511 440 G HA2 0.175 4.136 3.960 0.003 0.000 0.217 440 G HA3 0.175 4.136 3.960 0.003 0.000 0.217 440 G C 0.364 175.017 174.900 -0.411 0.000 1.133 440 G CA 0.396 45.073 45.100 -0.705 0.000 0.792 440 G HN 0.793 nan 8.290 nan 0.000 0.539 441 E N 0.070 120.041 120.200 -0.382 0.000 2.283 441 E HA 0.410 4.761 4.350 0.003 0.000 0.258 441 E C -1.342 175.036 176.600 -0.370 0.000 0.893 441 E CA -0.480 55.719 56.400 -0.335 0.000 0.798 441 E CB 2.742 32.335 29.700 -0.179 0.000 1.242 441 E HN -0.064 nan 8.360 nan 0.000 0.414 442 V N 3.652 123.323 119.914 -0.406 0.000 2.439 442 V HA 0.300 4.422 4.120 0.003 0.000 0.282 442 V C -0.819 175.031 176.094 -0.408 0.000 1.039 442 V CA -0.442 61.668 62.300 -0.316 0.000 0.913 442 V CB 0.411 32.093 31.823 -0.234 0.000 0.983 442 V HN 0.569 nan 8.190 nan 0.000 0.460 443 Y N 4.353 124.492 120.300 -0.269 0.000 2.328 443 Y HA 0.542 5.093 4.550 0.003 0.000 0.333 443 Y C 0.015 175.852 175.900 -0.104 0.000 0.958 443 Y CA -0.943 57.061 58.100 -0.160 0.000 1.167 443 Y CB 1.478 39.862 38.460 -0.127 0.000 1.151 443 Y HN 0.349 nan 8.280 nan 0.000 0.470 444 I N 4.527 125.107 120.570 0.018 0.000 2.315 444 I HA 0.129 4.301 4.170 0.003 0.000 0.291 444 I C -0.015 176.061 176.117 -0.068 0.000 1.006 444 I CA -0.605 60.675 61.300 -0.034 0.000 1.265 444 I CB 0.818 38.797 38.000 -0.035 0.000 1.387 444 I HN 0.781 nan 8.210 nan 0.000 0.475 445 N N 5.099 123.662 118.700 -0.227 0.000 2.740 445 N HA -0.254 4.487 4.740 0.003 0.000 0.248 445 N C -0.201 175.164 175.510 -0.241 0.000 1.062 445 N CA 0.777 53.597 53.050 -0.383 0.000 0.704 445 N CB -0.689 37.752 38.487 -0.077 0.000 0.968 445 N HN 0.815 nan 8.380 nan 0.000 0.547 446 R N -3.241 117.132 120.500 -0.213 0.000 2.752 446 R HA 0.784 5.126 4.340 0.003 0.000 0.277 446 R C 0.405 176.784 176.300 0.132 0.000 1.024 446 R CA -0.463 55.670 56.100 0.054 0.000 0.866 446 R CB 0.039 30.407 30.300 0.114 0.000 1.278 446 R HN -0.057 nan 8.270 nan 0.000 0.473 447 G N 0.041 108.903 108.800 0.104 0.000 2.945 447 G HA2 0.429 4.391 3.960 0.003 0.000 0.156 447 G HA3 0.429 4.391 3.960 0.003 0.000 0.156 447 G C -0.524 174.326 174.900 -0.083 0.000 1.375 447 G CA -1.114 43.944 45.100 -0.069 0.000 1.039 447 G HN 0.451 nan 8.290 nan 0.000 0.586 448 M N 0.639 120.135 119.600 -0.174 0.000 2.245 448 M HA 0.430 4.912 4.480 0.003 0.000 0.330 448 M C 0.438 176.718 176.300 -0.034 0.000 1.098 448 M CA 1.255 56.488 55.300 -0.113 0.000 1.172 448 M CB 0.802 33.357 32.600 -0.076 0.000 1.467 448 M HN 0.918 nan 8.290 nan 0.000 0.454 449 G N 2.854 111.650 108.800 -0.006 0.000 3.084 449 G HA2 0.048 4.010 3.960 0.003 0.000 0.543 449 G HA3 0.048 4.010 3.960 0.003 0.000 0.543 449 G C -1.302 173.665 174.900 0.111 0.000 1.239 449 G CA -1.010 44.101 45.100 0.018 0.000 1.190 449 G HN 0.650 nan 8.290 nan 0.000 0.549 450 E N 1.232 121.469 120.200 0.061 0.000 2.312 450 E HA 0.713 5.065 4.350 0.003 0.000 0.259 450 E C 0.549 177.129 176.600 -0.033 0.000 1.122 450 E CA -0.549 55.895 56.400 0.074 0.000 0.922 450 E CB 1.054 30.759 29.700 0.009 0.000 1.109 450 E HN 0.620 nan 8.360 nan 0.000 0.442 451 Q N -0.382 119.399 119.800 -0.031 0.000 2.433 451 Q HA 0.290 4.632 4.340 0.003 0.000 0.279 451 Q C 0.014 175.976 176.000 -0.063 0.000 1.105 451 Q CA -0.897 54.823 55.803 -0.137 0.000 0.815 451 Q CB 1.337 29.994 28.738 -0.134 0.000 1.403 451 Q HN 0.538 nan 8.270 nan 0.000 0.435 452 H N 0.965 119.862 119.070 -0.289 0.000 2.423 452 H HA -0.127 4.431 4.556 0.003 0.000 0.297 452 H C 1.773 176.655 175.328 -0.744 0.000 1.075 452 H CA 1.435 57.205 56.048 -0.464 0.000 1.342 452 H CB 0.304 29.741 29.762 -0.542 0.000 1.395 452 H HN 0.560 nan 8.280 nan 0.000 0.530 453 Q N 0.863 120.434 119.800 -0.382 0.000 2.451 453 Q HA 0.090 4.432 4.340 0.003 0.000 0.206 453 Q C 1.156 177.144 176.000 -0.020 0.000 0.947 453 Q CA 0.575 56.246 55.803 -0.220 0.000 0.937 453 Q CB -0.045 28.710 28.738 0.027 0.000 1.025 453 Q HN 0.279 nan 8.270 nan 0.000 0.511 454 G N 0.937 109.747 108.800 0.016 0.000 2.494 454 G HA2 0.340 4.301 3.960 0.003 0.000 0.270 454 G HA3 0.340 4.301 3.960 0.003 0.000 0.270 454 G C -1.273 173.811 174.900 0.307 0.000 1.423 454 G CA -0.517 44.661 45.100 0.130 0.000 1.055 454 G HN 0.234 nan 8.290 nan 0.000 0.536 455 F N -0.082 119.941 119.950 0.122 0.000 2.716 455 F HA 0.363 4.891 4.527 0.003 0.000 0.354 455 F C -0.651 175.257 175.800 0.180 0.000 1.168 455 F CA -1.427 56.678 58.000 0.174 0.000 1.045 455 F CB 1.164 40.284 39.000 0.200 0.000 1.311 455 F HN 0.428 nan 8.300 nan 0.000 0.477 456 H N 4.244 123.271 119.070 -0.071 0.000 3.118 456 H HA 0.263 4.821 4.556 0.003 0.000 0.266 456 H C -0.624 174.464 175.328 -0.401 0.000 1.465 456 H CA 0.235 56.186 56.048 -0.163 0.000 1.460 456 H CB -0.078 29.686 29.762 0.003 0.000 1.661 456 H HN 0.471 nan 8.280 nan 0.000 0.516 457 N N 2.735 121.060 118.700 -0.625 0.000 2.573 457 N HA 0.254 4.996 4.740 0.003 0.000 0.262 457 N C -0.402 174.948 175.510 -0.266 0.000 1.029 457 N CA -0.494 52.193 53.050 -0.605 0.000 0.882 457 N CB 1.008 38.967 38.487 -0.881 0.000 1.204 457 N HN 0.581 nan 8.380 nan 0.000 0.519 458 G N 2.221 110.900 108.800 -0.201 0.000 2.358 458 G HA2 0.187 4.149 3.960 0.003 0.000 0.273 458 G HA3 0.187 4.149 3.960 0.003 0.000 0.273 458 G C -0.304 174.687 174.900 0.151 0.000 1.215 458 G CA -0.333 44.739 45.100 -0.046 0.000 0.910 458 G HN 0.421 nan 8.290 nan 0.000 0.467 459 W N 1.802 123.037 121.300 -0.109 0.000 2.086 459 W HA 0.448 5.110 4.660 0.003 0.000 0.355 459 W C 1.268 177.765 176.519 -0.037 0.000 1.313 459 W CA -0.948 56.350 57.345 -0.079 0.000 1.358 459 W CB 0.402 29.822 29.460 -0.067 0.000 1.166 459 W HN 0.813 nan 8.180 nan 0.000 0.630 460 K N -0.472 120.028 120.400 0.166 0.000 1.751 460 K HA -0.326 3.996 4.320 0.003 0.000 0.134 460 K C 1.049 177.679 176.600 0.050 0.000 1.167 460 K CA 1.831 58.166 56.287 0.080 0.000 0.330 460 K CB -1.173 31.386 32.500 0.097 0.000 0.663 460 K HN 0.377 nan 8.250 nan 0.000 0.817 461 Q N 0.506 120.322 119.800 0.027 0.000 2.360 461 Q HA 0.158 4.500 4.340 0.003 0.000 0.202 461 Q C 1.375 177.463 176.000 0.146 0.000 0.915 461 Q CA 0.633 56.443 55.803 0.012 0.000 0.943 461 Q CB 0.845 29.486 28.738 -0.162 0.000 1.064 461 Q HN 0.358 nan 8.270 nan 0.000 0.511 462 S N -0.068 115.750 115.700 0.198 0.000 2.522 462 S HA 0.186 4.657 4.470 0.003 0.000 0.227 462 S C 0.791 175.451 174.600 0.100 0.000 0.986 462 S CA 0.613 58.932 58.200 0.199 0.000 0.929 462 S CB 0.318 63.610 63.200 0.153 0.000 0.769 462 S HN 0.553 nan 8.310 nan 0.000 0.529 463 G N -0.036 108.827 108.800 0.105 0.000 2.317 463 G HA2 0.438 4.400 3.960 0.003 0.000 0.293 463 G HA3 0.438 4.400 3.960 0.003 0.000 0.293 463 G C -2.210 172.803 174.900 0.190 0.000 1.287 463 G CA -0.862 44.304 45.100 0.112 0.000 0.850 463 G HN 0.109 nan 8.290 nan 0.000 0.515 464 F N -0.092 119.883 119.950 0.043 0.000 2.596 464 F HA 0.561 5.090 4.527 0.003 0.000 0.311 464 F C 0.987 176.824 175.800 0.062 0.000 1.116 464 F CA 1.099 59.142 58.000 0.072 0.000 0.957 464 F CB 1.978 41.079 39.000 0.167 0.000 1.250 464 F HN 1.949 nan 8.300 nan 0.000 0.444 465 G N 2.685 111.269 108.800 -0.360 0.000 2.990 465 G HA2 0.183 4.145 3.960 0.003 0.000 0.225 465 G HA3 0.183 4.145 3.960 0.003 0.000 0.225 465 G C 0.844 175.778 174.900 0.058 0.000 1.304 465 G CA 0.402 45.454 45.100 -0.081 0.000 0.816 465 G HN 2.397 nan 8.290 nan 0.000 0.528 466 G N -0.459 108.348 108.800 0.011 0.000 2.712 466 G HA2 0.413 4.374 3.960 0.003 0.000 0.686 466 G HA3 0.413 4.374 3.960 0.003 0.000 0.686 466 G C -0.735 174.276 174.900 0.186 0.000 1.181 466 G CA 0.894 45.907 45.100 -0.144 0.000 0.762 466 G HN 1.427 nan 8.290 nan 0.000 0.641 467 E N 0.515 120.799 120.200 0.140 0.000 2.336 467 E HA 0.613 4.964 4.350 0.003 0.000 0.267 467 E C -0.483 176.383 176.600 0.443 0.000 0.906 467 E CA -0.204 56.388 56.400 0.319 0.000 0.781 467 E CB 1.421 31.253 29.700 0.220 0.000 1.261 467 E HN 0.811 nan 8.360 nan 0.000 0.436 468 D N 0.083 120.723 120.400 0.401 0.000 10.746 468 D HA -0.053 4.588 4.640 0.003 0.000 0.347 468 D C 0.286 176.800 176.300 0.357 0.000 3.135 468 D CA 1.590 55.794 54.000 0.340 0.000 2.657 468 D CB -0.940 40.035 40.800 0.291 0.000 1.219 468 D HN 0.949 nan 8.370 nan 0.000 0.943 469 G N 0.516 109.413 108.800 0.161 0.000 2.598 469 G HA2 -0.365 3.597 3.960 0.003 0.000 0.244 469 G HA3 -0.365 3.597 3.960 0.003 0.000 0.244 469 G C 0.821 175.861 174.900 0.234 0.000 1.302 469 G CA 1.087 46.282 45.100 0.160 0.000 0.903 469 G HN 0.845 nan 8.290 nan 0.000 0.575 470 K N -0.598 119.816 120.400 0.024 0.000 2.057 470 K HA 0.104 4.426 4.320 0.003 0.000 0.206 470 K C 2.442 178.869 176.600 -0.288 0.000 1.050 470 K CA 2.161 58.327 56.287 -0.201 0.000 0.935 470 K CB -0.224 31.968 32.500 -0.512 0.000 0.715 470 K HN 0.444 nan 8.250 nan 0.000 0.439 471 F N 0.130 119.942 119.950 -0.230 0.000 2.293 471 F HA 0.061 4.590 4.527 0.003 0.000 0.297 471 F C 2.383 178.111 175.800 -0.120 0.000 1.089 471 F CA 0.791 58.546 58.000 -0.408 0.000 1.377 471 F CB -0.380 37.908 39.000 -1.188 0.000 1.051 471 F HN 0.195 nan 8.300 nan 0.000 0.511 472 G N 0.260 109.218 108.800 0.262 0.000 2.404 472 G HA2 -0.238 3.724 3.960 0.003 0.000 0.215 472 G HA3 -0.238 3.724 3.960 0.003 0.000 0.215 472 G C 1.586 176.710 174.900 0.373 0.000 1.174 472 G CA 0.754 46.107 45.100 0.422 0.000 0.780 472 G HN 0.279 nan 8.290 nan 0.000 0.537 473 L N 0.596 122.018 121.223 0.332 0.000 2.093 473 L HA 0.068 4.410 4.340 0.003 0.000 0.208 473 L C 2.573 179.618 176.870 0.291 0.000 1.085 473 L CA 2.205 57.259 54.840 0.356 0.000 0.755 473 L CB -0.426 41.766 42.059 0.223 0.000 0.904 473 L HN 0.242 nan 8.230 nan 0.000 0.435 474 E N -0.183 120.112 120.200 0.158 0.000 2.171 474 E HA -0.288 4.064 4.350 0.003 0.000 0.197 474 E C 2.160 178.829 176.600 0.115 0.000 0.997 474 E CA 1.542 58.007 56.400 0.108 0.000 0.810 474 E CB -0.203 29.535 29.700 0.064 0.000 0.738 474 E HN 0.657 nan 8.360 nan 0.000 0.467 475 Q N -1.508 118.349 119.800 0.094 0.000 2.364 475 Q HA -0.115 4.227 4.340 0.003 0.000 0.207 475 Q C 0.846 176.775 176.000 -0.118 0.000 0.970 475 Q CA 0.840 56.627 55.803 -0.027 0.000 0.888 475 Q CB -0.010 28.672 28.738 -0.094 0.000 0.951 475 Q HN 0.447 nan 8.270 nan 0.000 0.469 476 Y N -0.433 119.925 120.300 0.095 0.000 2.471 476 Y HA 0.182 4.734 4.550 0.003 0.000 0.286 476 Y C 0.055 176.000 175.900 0.074 0.000 1.188 476 Y CA 0.183 58.335 58.100 0.086 0.000 1.286 476 Y CB 0.504 39.020 38.460 0.092 0.000 1.072 476 Y HN -0.034 nan 8.280 nan 0.000 0.517 477 L N 0.245 121.572 121.223 0.172 0.000 2.385 477 L HA 0.408 4.750 4.340 0.003 0.000 0.273 477 L C -0.416 176.507 176.870 0.088 0.000 0.990 477 L CA -1.044 53.872 54.840 0.125 0.000 0.821 477 L CB 2.079 44.203 42.059 0.109 0.000 1.279 477 L HN -0.160 nan 8.230 nan 0.000 0.412 478 E N 2.494 122.742 120.200 0.080 0.000 2.277 478 E HA 0.412 4.764 4.350 0.003 0.000 0.274 478 E C -1.130 175.511 176.600 0.069 0.000 1.022 478 E CA -0.446 55.994 56.400 0.067 0.000 0.853 478 E CB 1.119 30.855 29.700 0.060 0.000 1.086 478 E HN 0.203 nan 8.360 nan 0.000 0.397 479 K N 1.902 122.342 120.400 0.067 0.000 2.118 479 K HA 0.465 4.787 4.320 0.003 0.000 0.254 479 K C -0.783 175.867 176.600 0.083 0.000 0.961 479 K CA -0.609 55.724 56.287 0.076 0.000 0.876 479 K CB 1.348 33.887 32.500 0.066 0.000 1.077 479 K HN 0.302 nan 8.250 nan 0.000 0.440 480 K N 0.997 121.463 120.400 0.110 0.000 2.545 480 K HA 0.335 4.657 4.320 0.003 0.000 0.252 480 K C -1.221 175.476 176.600 0.162 0.000 0.948 480 K CA -0.349 56.005 56.287 0.113 0.000 0.827 480 K CB 1.351 33.895 32.500 0.072 0.000 1.128 480 K HN 0.588 nan 8.250 nan 0.000 0.429 481 T N 2.989 117.627 114.554 0.139 0.000 2.771 481 T HA 0.288 4.640 4.350 0.003 0.000 0.291 481 T C -0.466 174.340 174.700 0.177 0.000 0.954 481 T CA -0.507 61.673 62.100 0.132 0.000 1.045 481 T CB 1.070 70.007 68.868 0.115 0.000 0.917 481 T HN 0.249 nan 8.240 nan 0.000 0.484 482 V N 4.180 124.208 119.914 0.190 0.000 2.417 482 V HA 0.388 4.510 4.120 0.003 0.000 0.291 482 V C -1.069 175.136 176.094 0.185 0.000 1.024 482 V CA -1.021 61.414 62.300 0.224 0.000 0.861 482 V CB 0.872 32.819 31.823 0.207 0.000 0.985 482 V HN 0.780 nan 8.190 nan 0.000 0.436 483 Y N 4.640 125.033 120.300 0.155 0.000 2.342 483 Y HA 0.593 5.145 4.550 0.003 0.000 0.338 483 Y C 0.237 176.219 175.900 0.136 0.000 0.965 483 Y CA -0.576 57.605 58.100 0.135 0.000 1.159 483 Y CB 1.350 39.856 38.460 0.077 0.000 1.157 483 Y HN 0.470 nan 8.280 nan 0.000 0.486 484 I N 4.048 124.792 120.570 0.291 0.000 2.330 484 I HA 0.189 4.360 4.170 0.003 0.000 0.289 484 I C -0.162 176.055 176.117 0.167 0.000 1.001 484 I CA -0.522 60.909 61.300 0.219 0.000 1.193 484 I CB 1.070 39.213 38.000 0.238 0.000 1.345 484 I HN 0.633 nan 8.210 nan 0.000 0.461 485 N N 6.312 125.086 118.700 0.124 0.000 2.408 485 N HA 0.121 4.863 4.740 0.003 0.000 0.257 485 N C 0.420 175.973 175.510 0.071 0.000 1.064 485 N CA -0.242 52.862 53.050 0.089 0.000 0.952 485 N CB 0.988 39.516 38.487 0.069 0.000 1.093 485 N HN 0.628 nan 8.380 nan 0.000 0.490 486 E N 2.018 122.258 120.200 0.066 0.000 2.447 486 E HA 0.066 4.418 4.350 0.003 0.000 0.195 486 E C 0.244 176.867 176.600 0.038 0.000 1.028 486 E CA -0.223 56.209 56.400 0.053 0.000 0.876 486 E CB 0.442 30.175 29.700 0.056 0.000 0.885 486 E HN 0.584 nan 8.360 nan 0.000 0.500 487 A N 2.388 125.229 122.820 0.035 0.000 2.522 487 A HA -0.009 4.313 4.320 0.003 0.000 0.256 487 A C 0.251 177.849 177.584 0.023 0.000 1.086 487 A CA 0.124 52.176 52.037 0.026 0.000 0.763 487 A CB -0.000 19.015 19.000 0.024 0.000 1.024 487 A HN 0.089 nan 8.150 nan 0.000 0.502 488 E N 0.000 120.211 120.200 0.019 0.000 2.725 488 E HA 0.000 4.352 4.350 0.003 0.000 0.291 488 E CA 0.000 56.409 56.400 0.016 0.000 0.976 488 E CB 0.000 29.708 29.700 0.013 0.000 0.812 488 E HN 0.000 nan 8.360 nan 0.000 0.440