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 1wp1_1_A DATA FIRST_RESID 1 DATA SEQUENCE CSLIPDYQRP EAPVAAAYPQ GQAYGQNTGA AAVPAADIGW REFFRDPQLQ DATA SEQUENCE QLIGVALENN RDLRVAALNV EAFRAQYRIQ RADLFPRIGV DGSGTRQRLP DATA SEQUENCE GDLSTTGSPA ISSQYGVTLG TTAWELDLFG RLRSLRDQAL EQYLATEQAQ DATA SEQUENCE RSAQTTLVAS VATAYLTLKA DQAQLQLTKD TLGTYQKSFD LTQRSYDVGV DATA SEQUENCE ASALDLRQAQ TAVEGARATL AQYTRLVAQD QNALVLLLGS GIPANLPQGL DATA SEQUENCE GLDQTLLTEV PAGLPSDLLQ RRPDILEAEH QLMAANASIG AARAAFFPSI DATA SEQUENCE SLTANAGTMS RQLSGLFDAG SGSWLFQPSI NLPIFTAGSL RASLDYAKIQ DATA SEQUENCE KDINVAQYEK AIQTAFQEVA DGLAARGTFT EQLQAQRDLV KASDEYYQLA DATA SEQUENCE DKRYRTGVDN YLTLLDAQRS LFTAQQQLIT DRLNQLTSEV NLYKALGGGW DATA SEQUENCE NQQTVT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.932 174.990 -0.097 0.000 1.270 1 C CA 0.000 58.929 59.018 -0.149 0.000 1.963 1 C CB 0.000 27.636 27.740 -0.174 0.000 2.134 2 S N 1.196 116.855 115.700 -0.068 0.000 2.478 2 S HA 0.707 5.177 4.470 0.001 0.000 0.312 2 S C -0.069 174.499 174.600 -0.053 0.000 1.094 2 S CA -0.541 57.632 58.200 -0.046 0.000 1.081 2 S CB 0.559 63.744 63.200 -0.026 0.000 1.007 2 S HN 0.653 nan 8.310 nan 0.000 0.475 3 L N 5.162 126.351 121.223 -0.056 0.000 2.741 3 L HA 0.412 4.753 4.340 0.001 0.000 0.237 3 L C -0.065 176.784 176.870 -0.034 0.000 1.178 3 L CA -0.065 54.734 54.840 -0.069 0.000 0.973 3 L CB -0.147 41.842 42.059 -0.116 0.000 1.255 3 L HN 0.578 nan 8.230 nan 0.000 0.498 4 I N 1.621 122.180 120.570 -0.019 0.000 2.556 4 I HA 0.093 4.263 4.170 0.001 0.000 0.284 4 I C -1.719 174.398 176.117 0.000 0.000 1.114 4 I CA -1.634 59.663 61.300 -0.005 0.000 1.418 4 I CB 0.403 38.404 38.000 0.001 0.000 1.394 4 I HN -0.090 nan 8.210 nan 0.000 0.552 5 P HA 0.062 nan 4.420 nan 0.000 0.270 5 P C -0.908 176.413 177.300 0.035 0.000 1.223 5 P CA -0.336 62.772 63.100 0.014 0.000 0.785 5 P CB 0.397 32.106 31.700 0.015 0.000 0.923 6 D N 0.207 120.626 120.400 0.033 0.000 2.399 6 D HA -0.001 4.640 4.640 0.001 0.000 0.241 6 D C -0.464 175.893 176.300 0.095 0.000 1.133 6 D CA 0.541 54.569 54.000 0.047 0.000 0.890 6 D CB 0.046 40.854 40.800 0.013 0.000 1.201 6 D HN 0.304 nan 8.370 nan 0.000 0.432 7 Y N 1.658 121.934 120.300 -0.040 0.000 2.335 7 Y HA 0.281 4.832 4.550 0.001 0.000 0.339 7 Y C -0.553 175.312 175.900 -0.059 0.000 0.987 7 Y CA -0.963 57.102 58.100 -0.057 0.000 1.140 7 Y CB 1.057 39.475 38.460 -0.069 0.000 1.173 7 Y HN 0.125 nan 8.280 nan 0.000 0.486 8 Q N 6.557 126.065 119.800 -0.486 0.000 2.425 8 Q HA 0.298 4.638 4.340 0.001 0.000 0.254 8 Q C -0.535 175.001 176.000 -0.773 0.000 1.032 8 Q CA -0.682 54.782 55.803 -0.564 0.000 0.798 8 Q CB 0.558 29.152 28.738 -0.240 0.000 1.210 8 Q HN 0.765 nan 8.270 nan 0.000 0.491 9 R N 4.713 124.552 120.500 -1.102 0.000 2.486 9 R HA 0.006 4.347 4.340 0.001 0.000 0.304 9 R C -2.041 174.144 176.300 -0.192 0.000 0.913 9 R CA -0.567 55.204 56.100 -0.548 0.000 1.124 9 R CB 0.074 30.187 30.300 -0.311 0.000 0.891 9 R HN 0.441 nan 8.270 nan 0.000 0.410 10 P HA 0.040 nan 4.420 nan 0.000 0.274 10 P C -1.024 176.334 177.300 0.097 0.000 1.246 10 P CA -0.239 62.898 63.100 0.061 0.000 0.795 10 P CB 0.531 32.324 31.700 0.154 0.000 1.006 11 E N 0.720 120.944 120.200 0.041 0.000 2.328 11 E HA 0.171 4.522 4.350 0.001 0.000 0.265 11 E C 0.118 176.727 176.600 0.015 0.000 1.057 11 E CA -0.081 56.329 56.400 0.016 0.000 0.916 11 E CB 0.266 29.959 29.700 -0.011 0.000 0.993 11 E HN 0.449 nan 8.360 nan 0.000 0.446 12 A N 6.389 129.210 122.820 0.001 0.000 2.522 12 A HA -0.013 4.307 4.320 0.001 0.000 0.275 12 A C -1.512 176.029 177.584 -0.072 0.000 1.058 12 A CA -0.540 51.467 52.037 -0.050 0.000 0.880 12 A CB -0.422 18.551 19.000 -0.045 0.000 0.946 12 A HN 0.318 nan 8.150 nan 0.000 0.526 13 P HA 0.208 nan 4.420 nan 0.000 0.243 13 P C -0.260 176.945 177.300 -0.159 0.000 1.668 13 P CA 0.161 63.201 63.100 -0.100 0.000 0.898 13 P CB -0.616 31.036 31.700 -0.079 0.000 1.637 14 V N -3.822 115.979 119.914 -0.189 0.000 3.019 14 V HA 0.883 5.003 4.120 0.001 0.000 0.317 14 V C 0.219 176.122 176.094 -0.317 0.000 1.094 14 V CA -1.930 60.157 62.300 -0.355 0.000 1.000 14 V CB 1.213 32.772 31.823 -0.440 0.000 1.060 14 V HN 0.101 nan 8.190 nan 0.000 0.443 15 A N 1.505 124.052 122.820 -0.455 0.000 2.555 15 A HA 0.551 4.871 4.320 0.001 0.000 0.233 15 A C 1.630 179.149 177.584 -0.109 0.000 1.060 15 A CA 0.456 52.349 52.037 -0.240 0.000 0.759 15 A CB -0.028 18.848 19.000 -0.207 0.000 0.995 15 A HN 2.076 nan 8.150 nan 0.000 0.506 16 A N 2.093 124.865 122.820 -0.080 0.000 1.933 16 A HA 0.325 4.646 4.320 0.001 0.000 0.218 16 A C 1.423 178.956 177.584 -0.084 0.000 1.175 16 A CA 1.750 53.744 52.037 -0.071 0.000 0.628 16 A CB -0.605 18.359 19.000 -0.061 0.000 0.814 16 A HN 1.982 nan 8.150 nan 0.000 0.444 17 A N -1.486 121.305 122.820 -0.048 0.000 2.312 17 A HA 0.611 4.931 4.320 0.001 0.000 0.326 17 A C -0.471 177.150 177.584 0.062 0.000 1.172 17 A CA -0.731 51.274 52.037 -0.054 0.000 0.821 17 A CB 0.133 19.119 19.000 -0.024 0.000 1.166 17 A HN 0.352 nan 8.150 nan 0.000 0.493 18 Y N 1.536 121.873 120.300 0.061 0.000 2.788 18 Y HA 0.107 4.657 4.550 0.001 0.000 0.341 18 Y C -1.624 174.192 175.900 -0.141 0.000 1.258 18 Y CA -0.611 57.432 58.100 -0.095 0.000 1.503 18 Y CB 0.003 38.313 38.460 -0.250 0.000 1.325 18 Y HN 0.488 nan 8.280 nan 0.000 0.614 19 P HA 0.014 nan 4.420 nan 0.000 0.270 19 P C -0.798 176.062 177.300 -0.732 0.000 1.223 19 P CA -0.006 62.879 63.100 -0.359 0.000 0.785 19 P CB 0.624 32.095 31.700 -0.382 0.000 0.923 20 Q N 0.257 119.827 119.800 -0.382 0.000 2.633 20 Q HA 0.793 5.133 4.340 0.001 0.000 0.292 20 Q C 0.162 176.212 176.000 0.083 0.000 1.089 20 Q CA -0.547 55.150 55.803 -0.177 0.000 0.811 20 Q CB 1.986 30.695 28.738 -0.047 0.000 1.472 20 Q HN 0.739 nan 8.270 nan 0.000 0.464 21 G N 0.082 109.000 108.800 0.197 0.000 2.347 21 G HA2 -0.130 3.830 3.960 0.001 0.000 0.341 21 G HA3 -0.130 3.830 3.960 0.001 0.000 0.341 21 G C -0.217 174.801 174.900 0.197 0.000 1.287 21 G CA -0.172 45.053 45.100 0.209 0.000 0.984 21 G HN 0.432 nan 8.290 nan 0.000 0.526 22 Q N -0.507 119.356 119.800 0.105 0.000 2.291 22 Q HA 0.223 4.564 4.340 0.001 0.000 0.206 22 Q C 2.603 178.601 176.000 -0.004 0.000 0.976 22 Q CA 2.835 58.663 55.803 0.043 0.000 0.875 22 Q CB -0.255 28.488 28.738 0.009 0.000 0.927 22 Q HN 1.174 nan 8.270 nan 0.000 0.450 23 A N -1.234 121.548 122.820 -0.063 0.000 2.218 23 A HA 0.107 4.427 4.320 0.001 0.000 0.209 23 A C -0.502 176.879 177.584 -0.339 0.000 1.168 23 A CA 0.104 51.963 52.037 -0.297 0.000 0.804 23 A CB 0.124 18.796 19.000 -0.546 0.000 0.834 23 A HN 0.303 nan 8.150 nan 0.000 0.482 24 Y N -0.921 119.376 120.300 -0.005 0.000 2.409 24 Y HA 0.571 5.122 4.550 0.001 0.000 0.343 24 Y C 1.027 176.931 175.900 0.007 0.000 0.973 24 Y CA -1.263 56.837 58.100 -0.000 0.000 1.064 24 Y CB 0.867 39.332 38.460 0.008 0.000 1.207 24 Y HN 0.107 nan 8.280 nan 0.000 0.452 25 G N 1.876 110.776 108.800 0.166 0.000 2.690 25 G HA2 0.121 4.081 3.960 0.001 0.000 0.239 25 G HA3 0.121 4.081 3.960 0.001 0.000 0.239 25 G C -0.357 174.607 174.900 0.107 0.000 1.233 25 G CA -0.725 44.441 45.100 0.109 0.000 0.847 25 G HN 0.505 nan 8.290 nan 0.000 0.588 26 Q N 0.633 120.475 119.800 0.071 0.000 2.361 26 Q HA -0.008 4.333 4.340 0.001 0.000 0.276 26 Q C 0.226 176.258 176.000 0.053 0.000 1.022 26 Q CA -0.037 55.798 55.803 0.054 0.000 0.898 26 Q CB 0.321 29.084 28.738 0.040 0.000 1.246 26 Q HN 0.463 nan 8.270 nan 0.000 0.410 27 N N 1.787 120.513 118.700 0.044 0.000 2.411 27 N HA -0.047 4.694 4.740 0.001 0.000 0.265 27 N C 0.822 176.361 175.510 0.049 0.000 1.266 27 N CA 0.364 53.447 53.050 0.054 0.000 0.889 27 N CB 0.639 39.154 38.487 0.046 0.000 1.069 27 N HN 0.545 nan 8.380 nan 0.000 0.476 28 T N -0.481 114.109 114.554 0.059 0.000 3.148 28 T HA 0.214 4.564 4.350 0.001 0.000 0.253 28 T C 1.143 175.868 174.700 0.042 0.000 1.134 28 T CA 0.074 62.203 62.100 0.047 0.000 1.051 28 T CB -0.249 68.647 68.868 0.047 0.000 0.959 28 T HN 0.666 nan 8.240 nan 0.000 0.525 29 G N 1.817 110.644 108.800 0.045 0.000 2.601 29 G HA2 0.042 4.002 3.960 0.001 0.000 0.261 29 G HA3 0.042 4.002 3.960 0.001 0.000 0.261 29 G C 0.221 175.139 174.900 0.030 0.000 1.289 29 G CA -0.269 44.847 45.100 0.027 0.000 0.920 29 G HN 1.303 nan 8.290 nan 0.000 0.571 30 A N -0.293 122.538 122.820 0.017 0.000 2.498 30 A HA 0.694 5.014 4.320 0.001 0.000 0.239 30 A C 0.822 178.420 177.584 0.024 0.000 1.068 30 A CA 1.390 53.438 52.037 0.017 0.000 0.766 30 A CB 0.178 19.184 19.000 0.009 0.000 1.003 30 A HN 2.501 nan 8.150 nan 0.000 0.497 31 A N 1.623 124.459 122.820 0.026 0.000 2.303 31 A HA 0.629 4.950 4.320 0.001 0.000 0.320 31 A C 1.129 178.726 177.584 0.023 0.000 1.192 31 A CA 0.048 52.102 52.037 0.028 0.000 0.821 31 A CB 0.669 19.690 19.000 0.035 0.000 1.188 31 A HN 1.930 nan 8.150 nan 0.000 0.492 32 A N 2.380 125.212 122.820 0.021 0.000 1.865 32 A HA 0.112 4.433 4.320 0.001 0.000 0.217 32 A C 0.848 178.444 177.584 0.020 0.000 1.191 32 A CA 1.930 53.978 52.037 0.018 0.000 0.623 32 A CB -0.422 18.588 19.000 0.016 0.000 0.826 32 A HN 1.095 nan 8.150 nan 0.000 0.444 33 V N 1.671 121.599 119.914 0.023 0.000 2.284 33 V HA 0.283 4.404 4.120 0.001 0.000 0.274 33 V C -2.603 173.510 176.094 0.030 0.000 1.023 33 V CA -1.807 60.509 62.300 0.026 0.000 0.808 33 V CB 0.799 32.638 31.823 0.027 0.000 1.035 33 V HN 0.185 nan 8.190 nan 0.000 0.445 34 P HA 0.036 nan 4.420 nan 0.000 0.266 34 P C 0.979 178.293 177.300 0.023 0.000 1.193 34 P CA 0.293 63.408 63.100 0.025 0.000 0.770 34 P CB 0.846 32.558 31.700 0.020 0.000 0.836 35 A N 3.679 126.507 122.820 0.013 0.000 1.940 35 A HA -0.199 4.122 4.320 0.001 0.000 0.219 35 A C 2.131 179.686 177.584 -0.050 0.000 1.176 35 A CA 2.102 54.142 52.037 0.004 0.000 0.631 35 A CB -1.561 17.426 19.000 -0.022 0.000 0.814 35 A HN 0.574 nan 8.150 nan 0.000 0.446 36 A N -0.611 122.170 122.820 -0.066 0.000 2.076 36 A HA -0.192 4.129 4.320 0.001 0.000 0.220 36 A C 1.660 179.244 177.584 0.000 0.000 1.160 36 A CA 1.824 53.816 52.037 -0.076 0.000 0.653 36 A CB -0.390 18.589 19.000 -0.036 0.000 0.801 36 A HN 0.479 nan 8.150 nan 0.000 0.455 37 D N -0.744 119.675 120.400 0.031 0.000 2.354 37 D HA 0.149 4.789 4.640 0.001 0.000 0.209 37 D C 0.295 176.637 176.300 0.071 0.000 1.015 37 D CA 0.161 54.194 54.000 0.055 0.000 0.867 37 D CB 0.085 40.911 40.800 0.043 0.000 0.933 37 D HN 0.426 nan 8.370 nan 0.000 0.520 38 I N 1.473 122.107 120.570 0.107 0.000 2.396 38 I HA 0.142 4.313 4.170 0.001 0.000 0.289 38 I C 1.294 177.532 176.117 0.201 0.000 1.056 38 I CA -0.460 60.925 61.300 0.142 0.000 1.365 38 I CB 1.288 39.395 38.000 0.179 0.000 1.407 38 I HN -0.185 nan 8.210 nan 0.000 0.509 39 G N 6.900 115.752 108.800 0.086 0.000 2.491 39 G HA2 -0.047 3.913 3.960 0.001 0.000 0.242 39 G HA3 -0.047 3.913 3.960 0.001 0.000 0.242 39 G C 0.856 175.819 174.900 0.106 0.000 1.266 39 G CA -0.483 44.624 45.100 0.010 0.000 0.844 39 G HN 0.967 nan 8.290 nan 0.000 0.571 40 W N 2.331 123.786 121.300 0.258 0.000 2.402 40 W HA -0.069 4.592 4.660 0.001 0.000 0.286 40 W C 1.705 178.399 176.519 0.292 0.000 1.221 40 W CA 0.317 57.879 57.345 0.362 0.000 1.257 40 W CB -0.563 29.221 29.460 0.540 0.000 1.120 40 W HN 0.546 nan 8.180 nan 0.000 0.551 41 R N 1.659 121.966 120.500 -0.322 0.000 2.159 41 R HA -0.206 4.135 4.340 0.001 0.000 0.237 41 R C 2.208 178.465 176.300 -0.072 0.000 1.131 41 R CA 2.238 58.178 56.100 -0.266 0.000 0.982 41 R CB -0.548 29.419 30.300 -0.555 0.000 0.868 41 R HN 0.461 nan 8.270 nan 0.000 0.453 42 E N -1.546 118.616 120.200 -0.064 0.000 2.075 42 E HA -0.107 4.243 4.350 0.001 0.000 0.190 42 E C 1.570 178.144 176.600 -0.044 0.000 0.969 42 E CA 0.518 56.894 56.400 -0.039 0.000 0.815 42 E CB -0.320 29.361 29.700 -0.032 0.000 0.776 42 E HN 0.298 nan 8.360 nan 0.000 0.457 43 F N 0.691 120.491 119.950 -0.250 0.000 2.171 43 F HA 0.015 4.543 4.527 0.001 0.000 0.300 43 F C 0.088 175.537 175.800 -0.585 0.000 1.090 43 F CA 0.952 58.622 58.000 -0.550 0.000 1.293 43 F CB 0.006 38.350 39.000 -1.094 0.000 1.013 43 F HN -0.098 nan 8.300 nan 0.000 0.486 44 F N 1.535 121.355 119.950 -0.217 0.000 2.334 44 F HA 0.350 4.877 4.527 0.001 0.000 0.365 44 F C 1.391 177.100 175.800 -0.151 0.000 1.124 44 F CA -0.499 57.353 58.000 -0.246 0.000 1.166 44 F CB 0.453 39.416 39.000 -0.062 0.000 1.355 44 F HN -0.238 nan 8.300 nan 0.000 0.532 45 R N 0.111 120.575 120.500 -0.060 0.000 2.148 45 R HA -0.121 4.219 4.340 0.001 0.000 0.227 45 R C 0.422 176.725 176.300 0.004 0.000 1.103 45 R CA 0.727 56.803 56.100 -0.040 0.000 0.983 45 R CB -0.106 30.148 30.300 -0.077 0.000 0.874 45 R HN 0.481 nan 8.270 nan 0.000 0.451 46 D N 1.053 121.471 120.400 0.029 0.000 2.382 46 D HA 0.009 4.649 4.640 0.001 0.000 0.259 46 D C -1.828 174.469 176.300 -0.006 0.000 1.224 46 D CA -2.076 51.938 54.000 0.024 0.000 0.894 46 D CB 1.462 42.298 40.800 0.060 0.000 1.127 46 D HN -0.075 nan 8.370 nan 0.000 0.487 47 P HA -0.108 nan 4.420 nan 0.000 0.223 47 P C 1.176 178.457 177.300 -0.032 0.000 1.151 47 P CA 0.863 63.960 63.100 -0.005 0.000 0.787 47 P CB 0.251 31.952 31.700 0.000 0.000 0.788 48 Q N -0.428 119.342 119.800 -0.049 0.000 2.049 48 Q HA -0.124 4.216 4.340 0.001 0.000 0.198 48 Q C 1.987 177.831 176.000 -0.259 0.000 0.971 48 Q CA 0.894 56.652 55.803 -0.076 0.000 0.833 48 Q CB -0.740 28.018 28.738 0.033 0.000 0.896 48 Q HN 0.023 nan 8.270 nan 0.000 0.434 49 L N 1.359 122.276 121.223 -0.509 0.000 2.043 49 L HA -0.261 4.079 4.340 0.001 0.000 0.212 49 L C 2.132 178.797 176.870 -0.341 0.000 1.075 49 L CA 1.971 56.374 54.840 -0.729 0.000 0.752 49 L CB -0.618 40.965 42.059 -0.792 0.000 0.891 49 L HN 0.333 nan 8.230 nan 0.000 0.432 50 Q N -1.178 118.554 119.800 -0.114 0.000 2.061 50 Q HA -0.297 4.043 4.340 0.001 0.000 0.204 50 Q C 2.316 178.388 176.000 0.120 0.000 0.984 50 Q CA 2.104 57.980 55.803 0.123 0.000 0.846 50 Q CB -0.271 28.560 28.738 0.154 0.000 0.902 50 Q HN 0.659 nan 8.270 nan 0.000 0.421 51 Q N 0.465 120.275 119.800 0.016 0.000 2.084 51 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 51 Q C 2.093 178.067 176.000 -0.043 0.000 0.978 51 Q CA 0.943 56.753 55.803 0.012 0.000 0.844 51 Q CB 0.018 28.751 28.738 -0.007 0.000 0.898 51 Q HN 0.381 nan 8.270 nan 0.000 0.426 52 L N 0.121 121.271 121.223 -0.121 0.000 2.017 52 L HA -0.233 4.107 4.340 0.001 0.000 0.208 52 L C 2.390 179.144 176.870 -0.192 0.000 1.073 52 L CA 1.089 55.837 54.840 -0.153 0.000 0.745 52 L CB -0.502 41.425 42.059 -0.219 0.000 0.894 52 L HN 0.321 nan 8.230 nan 0.000 0.432 53 I N 0.014 120.415 120.570 -0.282 0.000 2.151 53 I HA -0.259 3.911 4.170 0.001 0.000 0.243 53 I C 2.657 178.557 176.117 -0.361 0.000 1.080 53 I CA 1.595 62.633 61.300 -0.436 0.000 1.339 53 I CB -0.874 36.677 38.000 -0.748 0.000 1.039 53 I HN 0.291 nan 8.210 nan 0.000 0.409 54 G N 0.384 109.087 108.800 -0.161 0.000 2.446 54 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 54 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 54 G C 1.711 176.591 174.900 -0.033 0.000 1.168 54 G CA 1.100 46.205 45.100 0.008 0.000 0.771 54 G HN 0.258 nan 8.290 nan 0.000 0.551 55 V N 1.662 121.549 119.914 -0.045 0.000 2.287 55 V HA -0.199 3.922 4.120 0.001 0.000 0.248 55 V C 3.359 179.420 176.094 -0.054 0.000 1.053 55 V CA 2.224 64.501 62.300 -0.038 0.000 1.027 55 V CB -1.010 30.791 31.823 -0.037 0.000 0.646 55 V HN 0.508 nan 8.190 nan 0.000 0.447 56 A N -0.156 122.608 122.820 -0.094 0.000 1.908 56 A HA -0.164 4.156 4.320 0.001 0.000 0.218 56 A C 2.187 179.722 177.584 -0.083 0.000 1.181 56 A CA 1.906 53.886 52.037 -0.095 0.000 0.627 56 A CB -0.563 18.357 19.000 -0.135 0.000 0.818 56 A HN 0.528 nan 8.150 nan 0.000 0.445 57 L N -1.056 120.102 121.223 -0.108 0.000 2.083 57 L HA -0.196 4.144 4.340 0.001 0.000 0.209 57 L C 2.528 179.389 176.870 -0.016 0.000 1.083 57 L CA 1.697 56.498 54.840 -0.065 0.000 0.752 57 L CB -0.722 41.291 42.059 -0.078 0.000 0.899 57 L HN 0.474 nan 8.230 nan 0.000 0.433 58 E N -0.002 120.191 120.200 -0.012 0.000 2.106 58 E HA -0.141 4.210 4.350 0.001 0.000 0.192 58 E C 1.600 178.202 176.600 0.004 0.000 0.984 58 E CA 0.917 57.320 56.400 0.005 0.000 0.806 58 E CB 0.201 29.905 29.700 0.006 0.000 0.750 58 E HN 0.489 nan 8.360 nan 0.000 0.458 59 N N -0.103 118.593 118.700 -0.007 0.000 2.239 59 N HA -0.044 4.697 4.740 0.001 0.000 0.208 59 N C 0.003 175.510 175.510 -0.004 0.000 1.200 59 N CA -0.065 52.982 53.050 -0.004 0.000 0.895 59 N CB 0.381 38.863 38.487 -0.008 0.000 1.085 59 N HN 0.035 nan 8.380 nan 0.000 0.500 60 N N 2.591 121.284 118.700 -0.011 0.000 2.438 60 N HA -0.001 4.740 4.740 0.001 0.000 0.267 60 N C 0.913 176.424 175.510 0.002 0.000 1.222 60 N CA -0.010 53.035 53.050 -0.009 0.000 0.930 60 N CB 0.729 39.204 38.487 -0.020 0.000 1.083 60 N HN 0.009 nan 8.380 nan 0.000 0.476 61 R N 2.947 123.450 120.500 0.005 0.000 2.120 61 R HA -0.096 4.244 4.340 0.001 0.000 0.234 61 R C 0.808 177.116 176.300 0.014 0.000 1.123 61 R CA 0.926 57.032 56.100 0.011 0.000 0.975 61 R CB -0.328 29.978 30.300 0.011 0.000 0.866 61 R HN 0.657 nan 8.270 nan 0.000 0.446 62 D N 0.772 121.178 120.400 0.010 0.000 2.117 62 D HA -0.123 4.517 4.640 0.001 0.000 0.198 62 D C 1.947 178.256 176.300 0.015 0.000 0.982 62 D CA 0.712 54.719 54.000 0.012 0.000 0.828 62 D CB -0.082 40.722 40.800 0.007 0.000 0.967 62 D HN 0.058 nan 8.370 nan 0.000 0.464 63 L N 1.089 122.322 121.223 0.015 0.000 2.093 63 L HA -0.060 4.281 4.340 0.001 0.000 0.208 63 L C 2.308 179.199 176.870 0.036 0.000 1.085 63 L CA 1.393 56.248 54.840 0.026 0.000 0.755 63 L CB -0.303 41.773 42.059 0.028 0.000 0.904 63 L HN -0.167 nan 8.230 nan 0.000 0.435 64 R N -1.141 119.378 120.500 0.032 0.000 2.081 64 R HA -0.135 4.206 4.340 0.001 0.000 0.235 64 R C 2.055 178.379 176.300 0.040 0.000 1.131 64 R CA 1.806 57.929 56.100 0.037 0.000 0.960 64 R CB -0.310 30.008 30.300 0.030 0.000 0.856 64 R HN 0.329 nan 8.270 nan 0.000 0.436 65 V N 1.034 120.969 119.914 0.035 0.000 2.295 65 V HA -0.251 3.870 4.120 0.001 0.000 0.246 65 V C 2.480 178.600 176.094 0.043 0.000 1.049 65 V CA 1.966 64.289 62.300 0.040 0.000 1.024 65 V CB -0.788 31.056 31.823 0.034 0.000 0.648 65 V HN 0.572 nan 8.190 nan 0.000 0.447 66 A N -0.092 122.747 122.820 0.031 0.000 1.908 66 A HA -0.153 4.167 4.320 0.001 0.000 0.218 66 A C 2.409 180.008 177.584 0.024 0.000 1.181 66 A CA 2.254 54.300 52.037 0.016 0.000 0.627 66 A CB -0.756 18.243 19.000 -0.002 0.000 0.818 66 A HN 0.585 nan 8.150 nan 0.000 0.445 67 A N -0.371 122.475 122.820 0.044 0.000 1.898 67 A HA 0.014 4.334 4.320 0.001 0.000 0.216 67 A C 2.149 179.777 177.584 0.074 0.000 1.181 67 A CA 1.367 53.440 52.037 0.060 0.000 0.620 67 A CB -0.611 18.436 19.000 0.080 0.000 0.819 67 A HN 0.459 nan 8.150 nan 0.000 0.442 68 L N -0.365 120.902 121.223 0.073 0.000 2.079 68 L HA -0.236 4.104 4.340 0.001 0.000 0.210 68 L C 2.452 179.391 176.870 0.115 0.000 1.081 68 L CA 1.597 56.487 54.840 0.083 0.000 0.752 68 L CB -0.545 41.554 42.059 0.068 0.000 0.896 68 L HN 0.428 nan 8.230 nan 0.000 0.433 69 N N -0.464 118.309 118.700 0.122 0.000 2.188 69 N HA -0.139 4.601 4.740 0.001 0.000 0.184 69 N C 1.739 177.409 175.510 0.268 0.000 1.018 69 N CA 0.890 54.062 53.050 0.204 0.000 0.858 69 N CB -0.056 38.528 38.487 0.161 0.000 0.989 69 N HN 0.017 nan 8.380 nan 0.000 0.426 70 V N 1.230 121.225 119.914 0.136 0.000 2.287 70 V HA -0.206 3.915 4.120 0.001 0.000 0.248 70 V C 2.171 178.435 176.094 0.283 0.000 1.053 70 V CA 1.619 63.998 62.300 0.132 0.000 1.027 70 V CB -0.456 31.381 31.823 0.025 0.000 0.646 70 V HN 0.352 nan 8.190 nan 0.000 0.447 71 E N 0.329 120.657 120.200 0.212 0.000 2.077 71 E HA -0.183 4.168 4.350 0.001 0.000 0.193 71 E C 2.405 179.115 176.600 0.183 0.000 0.989 71 E CA 1.503 58.016 56.400 0.189 0.000 0.800 71 E CB -0.728 29.047 29.700 0.125 0.000 0.746 71 E HN 0.567 nan 8.360 nan 0.000 0.452 72 A N 0.801 123.728 122.820 0.179 0.000 1.892 72 A HA -0.200 4.120 4.320 0.001 0.000 0.218 72 A C 2.112 179.740 177.584 0.073 0.000 1.188 72 A CA 1.588 53.687 52.037 0.103 0.000 0.631 72 A CB -0.966 18.085 19.000 0.085 0.000 0.822 72 A HN 0.195 nan 8.150 nan 0.000 0.447 73 F N -0.756 119.268 119.950 0.122 0.000 2.325 73 F HA -0.008 4.520 4.527 0.001 0.000 0.299 73 F C 2.422 178.348 175.800 0.210 0.000 1.090 73 F CA 1.448 59.545 58.000 0.161 0.000 1.392 73 F CB -0.176 38.921 39.000 0.161 0.000 1.053 73 F HN 0.171 nan 8.300 nan 0.000 0.521 74 R N 0.404 121.131 120.500 0.378 0.000 2.075 74 R HA -0.129 4.212 4.340 0.001 0.000 0.232 74 R C 2.363 178.731 176.300 0.114 0.000 1.126 74 R CA 1.210 57.380 56.100 0.116 0.000 0.963 74 R CB -0.430 29.875 30.300 0.010 0.000 0.858 74 R HN 0.234 nan 8.270 nan 0.000 0.435 75 A N 0.468 123.343 122.820 0.091 0.000 1.940 75 A HA -0.237 4.083 4.320 0.001 0.000 0.219 75 A C 2.039 179.630 177.584 0.013 0.000 1.176 75 A CA 1.577 53.636 52.037 0.036 0.000 0.631 75 A CB -0.499 18.512 19.000 0.019 0.000 0.814 75 A HN 0.385 nan 8.150 nan 0.000 0.446 76 Q N -1.437 118.372 119.800 0.015 0.000 2.079 76 Q HA -0.173 4.167 4.340 0.001 0.000 0.200 76 Q C 1.820 177.851 176.000 0.052 0.000 0.974 76 Q CA 2.117 57.912 55.803 -0.013 0.000 0.840 76 Q CB -0.635 28.040 28.738 -0.106 0.000 0.898 76 Q HN 0.757 nan 8.270 nan 0.000 0.430 77 Y N 0.468 120.769 120.300 0.001 0.000 2.145 77 Y HA -0.179 4.372 4.550 0.001 0.000 0.286 77 Y C 1.925 177.815 175.900 -0.017 0.000 1.145 77 Y CA 1.978 60.074 58.100 -0.006 0.000 1.148 77 Y CB -0.174 38.252 38.460 -0.056 0.000 0.981 77 Y HN 0.031 nan 8.280 nan 0.000 0.507 78 R N 0.057 120.437 120.500 -0.200 0.000 2.127 78 R HA -0.145 4.196 4.340 0.001 0.000 0.238 78 R C 2.226 178.413 176.300 -0.189 0.000 1.134 78 R CA 1.844 57.787 56.100 -0.261 0.000 0.975 78 R CB -0.434 29.813 30.300 -0.088 0.000 0.865 78 R HN 0.445 nan 8.270 nan 0.000 0.447 79 I N 0.703 121.205 120.570 -0.114 0.000 2.133 79 I HA -0.296 3.875 4.170 0.001 0.000 0.238 79 I C 2.389 178.457 176.117 -0.082 0.000 1.074 79 I CA 1.214 62.469 61.300 -0.075 0.000 1.342 79 I CB -0.346 37.627 38.000 -0.045 0.000 1.053 79 I HN 0.127 nan 8.210 nan 0.000 0.404 80 Q N 0.539 120.285 119.800 -0.089 0.000 2.135 80 Q HA -0.272 4.069 4.340 0.001 0.000 0.204 80 Q C 2.212 178.147 176.000 -0.109 0.000 0.981 80 Q CA 1.571 57.332 55.803 -0.069 0.000 0.856 80 Q CB -0.670 28.052 28.738 -0.027 0.000 0.902 80 Q HN 0.506 nan 8.270 nan 0.000 0.425 81 R N 0.653 121.000 120.500 -0.256 0.000 2.091 81 R HA -0.113 4.227 4.340 0.001 0.000 0.238 81 R C 2.098 178.398 176.300 0.001 0.000 1.136 81 R CA 1.473 57.433 56.100 -0.233 0.000 0.959 81 R CB -0.253 29.756 30.300 -0.485 0.000 0.856 81 R HN 0.232 nan 8.270 nan 0.000 0.437 82 A N 0.302 123.122 122.820 -0.001 0.000 2.121 82 A HA -0.120 4.200 4.320 0.001 0.000 0.218 82 A C 1.669 179.337 177.584 0.141 0.000 1.154 82 A CA 1.357 53.460 52.037 0.110 0.000 0.679 82 A CB -0.338 18.675 19.000 0.021 0.000 0.795 82 A HN 0.409 nan 8.150 nan 0.000 0.458 83 D N 0.049 120.484 120.400 0.059 0.000 2.350 83 D HA -0.034 4.607 4.640 0.001 0.000 0.216 83 D C 1.294 177.626 176.300 0.052 0.000 0.968 83 D CA 0.717 54.749 54.000 0.054 0.000 0.894 83 D CB 0.046 40.860 40.800 0.024 0.000 0.909 83 D HN 0.550 nan 8.370 nan 0.000 0.520 84 L N -0.909 120.290 121.223 -0.039 0.000 2.611 84 L HA 0.233 4.573 4.340 0.001 0.000 0.229 84 L C 0.020 176.633 176.870 -0.427 0.000 1.137 84 L CA -0.029 54.666 54.840 -0.240 0.000 0.901 84 L CB -0.220 41.568 42.059 -0.452 0.000 1.098 84 L HN -0.205 nan 8.230 nan 0.000 0.456 85 F N -0.063 119.954 119.950 0.112 0.000 2.577 85 F HA 0.548 5.076 4.527 0.001 0.000 0.318 85 F C -2.348 173.288 175.800 -0.273 0.000 1.065 85 F CA -2.659 55.312 58.000 -0.048 0.000 0.929 85 F CB 1.360 40.313 39.000 -0.078 0.000 1.237 85 F HN -0.286 nan 8.300 nan 0.000 0.468 86 P HA 0.275 nan 4.420 nan 0.000 0.281 86 P C -0.993 176.126 177.300 -0.302 0.000 1.252 86 P CA -0.527 62.102 63.100 -0.785 0.000 0.778 86 P CB 0.625 31.591 31.700 -1.223 0.000 0.895 87 R N 2.959 123.358 120.500 -0.168 0.000 2.296 87 R HA 0.361 4.701 4.340 0.001 0.000 0.323 87 R C -0.146 176.103 176.300 -0.084 0.000 1.067 87 R CA -0.108 55.941 56.100 -0.083 0.000 0.946 87 R CB -0.134 30.151 30.300 -0.026 0.000 0.991 87 R HN 0.490 nan 8.270 nan 0.000 0.448 88 I N 2.508 123.032 120.570 -0.077 0.000 2.382 88 I HA 0.377 4.548 4.170 0.001 0.000 0.286 88 I C 0.680 176.780 176.117 -0.028 0.000 1.002 88 I CA -0.177 61.089 61.300 -0.056 0.000 1.135 88 I CB 2.022 39.978 38.000 -0.073 0.000 1.288 88 I HN 0.668 nan 8.210 nan 0.000 0.448 89 G N 4.622 113.417 108.800 -0.008 0.000 3.175 89 G HA2 0.678 4.638 3.960 0.001 0.000 0.255 89 G HA3 0.678 4.638 3.960 0.001 0.000 0.255 89 G C -1.278 173.633 174.900 0.020 0.000 1.352 89 G CA -0.480 44.623 45.100 0.004 0.000 1.037 89 G HN 0.221 nan 8.290 nan 0.000 0.556 90 V N 1.247 121.178 119.914 0.027 0.000 2.305 90 V HA 0.268 4.388 4.120 0.001 0.000 0.275 90 V C -1.188 174.934 176.094 0.045 0.000 1.020 90 V CA -0.539 61.787 62.300 0.044 0.000 0.811 90 V CB 0.985 32.838 31.823 0.050 0.000 1.031 90 V HN 0.587 nan 8.190 nan 0.000 0.439 91 D N 4.201 124.629 120.400 0.046 0.000 2.468 91 D HA 0.354 4.995 4.640 0.001 0.000 0.218 91 D C 0.869 177.192 176.300 0.040 0.000 1.155 91 D CA 0.158 54.181 54.000 0.038 0.000 0.924 91 D CB 1.271 42.090 40.800 0.033 0.000 1.029 91 D HN 0.601 nan 8.370 nan 0.000 0.515 92 G N 1.665 110.490 108.800 0.041 0.000 2.985 92 G HA2 0.156 4.117 3.960 0.001 0.000 0.282 92 G HA3 0.156 4.117 3.960 0.001 0.000 0.282 92 G C 0.648 175.563 174.900 0.026 0.000 0.791 92 G CA -0.355 44.769 45.100 0.041 0.000 1.934 92 G HN 0.352 nan 8.290 nan 0.000 0.563 93 S N 0.561 116.267 115.700 0.011 0.000 2.633 93 S HA 0.710 5.180 4.470 0.001 0.000 0.257 93 S C 0.711 175.277 174.600 -0.057 0.000 1.265 93 S CA 0.418 58.606 58.200 -0.020 0.000 0.980 93 S CB 0.849 64.035 63.200 -0.024 0.000 1.017 93 S HN 1.382 nan 8.310 nan 0.000 0.577 94 G N 1.800 110.521 108.800 -0.131 0.000 3.021 94 G HA2 0.279 4.240 3.960 0.001 0.000 0.243 94 G HA3 0.279 4.240 3.960 0.001 0.000 0.243 94 G C -0.734 173.964 174.900 -0.336 0.000 3.652 94 G CA -0.634 44.280 45.100 -0.311 0.000 0.499 94 G HN 0.720 nan 8.290 nan 0.000 0.342 95 T N 0.575 114.944 114.554 -0.308 0.000 2.910 95 T HA 0.649 4.999 4.350 0.001 0.000 0.293 95 T C 0.416 174.961 174.700 -0.259 0.000 1.015 95 T CA -0.313 61.655 62.100 -0.221 0.000 1.094 95 T CB 1.988 70.770 68.868 -0.143 0.000 0.968 95 T HN 0.616 nan 8.240 nan 0.000 0.521 96 R N 2.251 122.656 120.500 -0.159 0.000 2.985 96 R HA 0.167 4.508 4.340 0.001 0.000 0.259 96 R C -0.765 175.500 176.300 -0.058 0.000 1.815 96 R CA -0.487 55.548 56.100 -0.108 0.000 1.278 96 R CB 0.495 30.740 30.300 -0.092 0.000 1.403 96 R HN 0.868 nan 8.270 nan 0.000 0.534 97 Q N 2.596 122.368 119.800 -0.047 0.000 2.257 97 Q HA 0.439 4.779 4.340 0.001 0.000 0.262 97 Q C -0.920 175.068 176.000 -0.019 0.000 0.997 97 Q CA -1.111 54.673 55.803 -0.032 0.000 0.873 97 Q CB 2.402 31.120 28.738 -0.033 0.000 1.312 97 Q HN 0.252 nan 8.270 nan 0.000 0.450 98 R N 2.801 123.292 120.500 -0.015 0.000 2.255 98 R HA 0.455 4.796 4.340 0.001 0.000 0.326 98 R C -1.107 175.187 176.300 -0.010 0.000 0.986 98 R CA -0.342 55.752 56.100 -0.010 0.000 0.847 98 R CB 0.638 30.934 30.300 -0.007 0.000 1.111 98 R HN 0.739 nan 8.270 nan 0.000 0.452 99 L N 5.680 126.898 121.223 -0.009 0.000 2.332 99 L HA 0.622 4.963 4.340 0.001 0.000 0.269 99 L C -1.995 174.871 176.870 -0.007 0.000 1.016 99 L CA -2.446 52.388 54.840 -0.009 0.000 0.809 99 L CB 1.891 43.944 42.059 -0.010 0.000 1.280 99 L HN 0.560 nan 8.230 nan 0.000 0.447 100 P HA 0.154 nan 4.420 nan 0.000 0.279 100 P C 0.493 177.790 177.300 -0.005 0.000 1.276 100 P CA -0.442 62.655 63.100 -0.005 0.000 0.801 100 P CB 0.685 32.381 31.700 -0.005 0.000 1.127 101 G N 0.946 109.744 108.800 -0.004 0.000 2.440 101 G HA2 -0.254 3.706 3.960 0.001 0.000 0.218 101 G HA3 -0.254 3.706 3.960 0.001 0.000 0.218 101 G C 0.835 175.732 174.900 -0.004 0.000 1.154 101 G CA 1.021 46.118 45.100 -0.004 0.000 0.767 101 G HN 0.638 nan 8.290 nan 0.000 0.552 102 D N 0.129 120.526 120.400 -0.005 0.000 2.378 102 D HA 0.014 4.655 4.640 0.001 0.000 0.227 102 D C 1.906 178.203 176.300 -0.006 0.000 1.012 102 D CA 0.338 54.335 54.000 -0.005 0.000 0.905 102 D CB -0.124 40.673 40.800 -0.005 0.000 0.895 102 D HN 0.442 nan 8.370 nan 0.000 0.532 103 L N -0.188 121.031 121.223 -0.006 0.000 2.803 103 L HA 0.122 4.462 4.340 0.001 0.000 0.246 103 L C 1.028 177.893 176.870 -0.007 0.000 1.100 103 L CA -0.069 54.766 54.840 -0.007 0.000 0.919 103 L CB 0.213 42.267 42.059 -0.008 0.000 1.285 103 L HN -0.052 nan 8.230 nan 0.000 0.522 104 S N -0.606 115.090 115.700 -0.006 0.000 2.596 104 S HA -0.001 4.469 4.470 0.001 0.000 0.260 104 S C 1.445 176.042 174.600 -0.006 0.000 1.336 104 S CA 0.159 58.355 58.200 -0.006 0.000 0.993 104 S CB 0.830 64.027 63.200 -0.005 0.000 0.923 104 S HN 0.329 nan 8.310 nan 0.000 0.567 105 T N -1.885 112.666 114.554 -0.006 0.000 2.867 105 T HA -0.123 4.227 4.350 0.001 0.000 0.268 105 T C 1.935 176.633 174.700 -0.004 0.000 1.057 105 T CA 1.526 63.623 62.100 -0.005 0.000 1.136 105 T CB -1.437 67.428 68.868 -0.005 0.000 0.874 105 T HN 0.894 nan 8.240 nan 0.000 0.466 106 T N -1.121 113.431 114.554 -0.004 0.000 2.814 106 T HA 0.413 4.764 4.350 0.001 0.000 0.254 106 T C 2.112 176.810 174.700 -0.003 0.000 1.037 106 T CA 1.302 63.401 62.100 -0.003 0.000 1.143 106 T CB -0.713 68.154 68.868 -0.002 0.000 0.866 106 T HN 0.977 nan 8.240 nan 0.000 0.431 107 G N 0.646 109.444 108.800 -0.003 0.000 2.255 107 G HA2 -0.067 3.893 3.960 0.001 0.000 0.196 107 G HA3 -0.067 3.893 3.960 0.001 0.000 0.196 107 G C 0.275 175.173 174.900 -0.003 0.000 0.998 107 G CA 0.253 45.351 45.100 -0.003 0.000 0.656 107 G HN 1.319 nan 8.290 nan 0.000 0.490 108 S N -0.099 115.599 115.700 -0.003 0.000 2.648 108 S HA 0.782 5.253 4.470 0.001 0.000 0.305 108 S C -3.169 171.430 174.600 -0.003 0.000 1.094 108 S CA -1.784 56.415 58.200 -0.002 0.000 0.983 108 S CB 2.544 65.743 63.200 -0.002 0.000 1.101 108 S HN 0.012 nan 8.310 nan 0.000 0.514 109 P HA 0.240 nan 4.420 nan 0.000 0.253 109 P C -0.788 176.511 177.300 -0.002 0.000 1.170 109 P CA 0.523 63.621 63.100 -0.003 0.000 0.806 109 P CB -0.241 31.457 31.700 -0.002 0.000 0.775 110 A N 4.345 127.163 122.820 -0.002 0.000 2.313 110 A HA 0.752 5.073 4.320 0.001 0.000 0.323 110 A C -0.392 177.191 177.584 -0.001 0.000 1.133 110 A CA -0.767 51.269 52.037 -0.001 0.000 0.847 110 A CB 0.970 19.969 19.000 -0.002 0.000 1.308 110 A HN 0.435 nan 8.150 nan 0.000 0.475 111 I N 2.170 122.741 120.570 0.001 0.000 2.464 111 I HA 0.225 4.396 4.170 0.001 0.000 0.277 111 I C 0.450 176.570 176.117 0.005 0.000 1.040 111 I CA -0.182 61.120 61.300 0.002 0.000 1.153 111 I CB 1.280 39.284 38.000 0.007 0.000 1.274 111 I HN 0.702 nan 8.210 nan 0.000 0.469 112 S N 4.195 119.894 115.700 -0.002 0.000 2.707 112 S HA 0.833 5.304 4.470 0.001 0.000 0.276 112 S C -0.008 174.587 174.600 -0.008 0.000 1.179 112 S CA -0.466 57.733 58.200 -0.001 0.000 0.992 112 S CB 1.912 65.107 63.200 -0.009 0.000 1.030 112 S HN 0.673 nan 8.310 nan 0.000 0.554 113 S N -0.251 115.445 115.700 -0.006 0.000 2.608 113 S HA 0.484 4.954 4.470 0.001 0.000 0.285 113 S C -1.540 173.044 174.600 -0.026 0.000 1.108 113 S CA -1.004 57.173 58.200 -0.037 0.000 0.858 113 S CB 0.619 63.843 63.200 0.040 0.000 1.077 113 S HN 1.154 nan 8.310 nan 0.000 0.450 114 Q N 0.993 120.687 119.800 -0.176 0.000 2.553 114 Q HA 0.831 5.172 4.340 0.001 0.000 0.293 114 Q C -1.941 173.833 176.000 -0.377 0.000 1.038 114 Q CA -1.076 54.671 55.803 -0.094 0.000 0.777 114 Q CB 1.441 30.150 28.738 -0.048 0.000 1.487 114 Q HN 0.729 nan 8.270 nan 0.000 0.426 115 Y N -1.346 118.925 120.300 -0.048 0.000 2.571 115 Y HA 0.723 5.273 4.550 0.000 0.000 0.341 115 Y C -0.238 175.620 175.900 -0.070 0.000 1.076 115 Y CA -0.565 57.500 58.100 -0.058 0.000 1.029 115 Y CB 3.168 41.585 38.460 -0.072 0.000 1.308 115 Y HN 0.936 nan 8.280 nan 0.000 0.461 116 G N 0.901 109.743 108.800 0.070 0.000 2.902 116 G HA2 0.355 4.315 3.960 0.001 0.000 0.293 116 G HA3 0.355 4.315 3.960 0.001 0.000 0.293 116 G C -1.909 172.996 174.900 0.009 0.000 3.296 116 G CA -0.694 44.412 45.100 0.010 0.000 0.614 116 G HN 0.487 nan 8.290 nan 0.000 0.354 117 V N 2.018 121.921 119.914 -0.018 0.000 2.458 117 V HA 0.456 4.576 4.120 0.001 0.000 0.287 117 V C 1.049 177.187 176.094 0.073 0.000 1.009 117 V CA 0.883 63.206 62.300 0.037 0.000 1.091 117 V CB 0.790 32.651 31.823 0.063 0.000 0.960 117 V HN 0.731 nan 8.190 nan 0.000 0.476 118 T N 5.298 119.901 114.554 0.081 0.000 2.858 118 T HA 0.759 5.109 4.350 0.001 0.000 0.285 118 T C -1.153 173.601 174.700 0.091 0.000 1.052 118 T CA -0.687 61.469 62.100 0.094 0.000 1.009 118 T CB 1.526 70.445 68.868 0.085 0.000 1.241 118 T HN 0.538 nan 8.240 nan 0.000 0.542 119 L N 1.452 122.729 121.223 0.090 0.000 2.541 119 L HA 0.728 5.069 4.340 0.001 0.000 0.266 119 L C -0.367 176.542 176.870 0.064 0.000 0.966 119 L CA 0.046 54.926 54.840 0.067 0.000 0.871 119 L CB 0.940 43.036 42.059 0.061 0.000 1.232 119 L HN 0.973 nan 8.230 nan 0.000 0.408 120 G N 1.906 110.734 108.800 0.047 0.000 2.341 120 G HA2 0.371 4.332 3.960 0.001 0.000 0.299 120 G HA3 0.371 4.332 3.960 0.001 0.000 0.299 120 G C -1.496 173.420 174.900 0.026 0.000 1.274 120 G CA -0.323 44.804 45.100 0.045 0.000 0.853 120 G HN 0.391 nan 8.290 nan 0.000 0.493 121 T N 0.431 115.007 114.554 0.036 0.000 2.940 121 T HA 0.718 5.069 4.350 0.001 0.000 0.288 121 T C -0.521 174.221 174.700 0.070 0.000 1.033 121 T CA -0.300 61.819 62.100 0.032 0.000 1.033 121 T CB 1.722 70.596 68.868 0.010 0.000 1.079 121 T HN 0.548 nan 8.240 nan 0.000 0.496 122 T N 1.923 116.518 114.554 0.069 0.000 2.807 122 T HA 0.562 4.912 4.350 0.001 0.000 0.279 122 T C 0.815 175.574 174.700 0.099 0.000 0.993 122 T CA 0.119 62.262 62.100 0.071 0.000 0.970 122 T CB 1.239 70.135 68.868 0.047 0.000 0.950 122 T HN 0.982 nan 8.240 nan 0.000 0.441 123 A N 1.998 124.872 122.820 0.090 0.000 2.798 123 A HA -0.173 4.147 4.320 0.001 0.000 0.282 123 A C 0.355 178.027 177.584 0.146 0.000 1.464 123 A CA 0.503 52.590 52.037 0.083 0.000 0.844 123 A CB -2.252 16.779 19.000 0.051 0.000 1.006 123 A HN 0.913 nan 8.150 nan 0.000 0.577 124 W N 1.356 122.646 121.300 -0.017 0.000 2.534 124 W HA 0.348 5.009 4.660 0.001 0.000 0.340 124 W C 0.378 176.883 176.519 -0.023 0.000 1.352 124 W CA 0.658 57.993 57.345 -0.015 0.000 1.305 124 W CB -0.169 29.286 29.460 -0.009 0.000 1.299 124 W HN 0.541 nan 8.180 nan 0.000 0.572 125 E N 5.982 126.164 120.200 -0.030 0.000 2.194 125 E HA 0.231 4.581 4.350 0.001 0.000 0.284 125 E C -1.049 175.253 176.600 -0.496 0.000 1.035 125 E CA -0.566 55.711 56.400 -0.205 0.000 0.836 125 E CB 0.490 30.155 29.700 -0.058 0.000 1.070 125 E HN 0.561 nan 8.360 nan 0.000 0.401 126 L N 4.759 125.641 121.223 -0.568 0.000 2.264 126 L HA 0.157 4.498 4.340 0.001 0.000 0.289 126 L C 0.085 176.765 176.870 -0.317 0.000 1.044 126 L CA -0.250 54.211 54.840 -0.632 0.000 0.807 126 L CB 1.092 42.758 42.059 -0.655 0.000 1.192 126 L HN 0.612 nan 8.230 nan 0.000 0.425 127 D N 2.679 122.925 120.400 -0.258 0.000 3.038 127 D HA 0.005 4.645 4.640 0.001 0.000 0.243 127 D C 1.252 177.458 176.300 -0.157 0.000 1.245 127 D CA -0.043 53.863 54.000 -0.156 0.000 0.871 127 D CB 0.365 41.086 40.800 -0.131 0.000 1.089 127 D HN 0.375 nan 8.370 nan 0.000 0.464 128 L N -0.090 121.021 121.223 -0.186 0.000 1.989 128 L HA -0.100 4.240 4.340 0.001 0.000 0.211 128 L C 1.157 177.757 176.870 -0.449 0.000 1.071 128 L CA 1.939 56.583 54.840 -0.328 0.000 0.749 128 L CB -0.521 41.312 42.059 -0.376 0.000 0.890 128 L HN 0.153 nan 8.230 nan 0.000 0.431 129 F N -0.184 119.706 119.950 -0.099 0.000 2.727 129 F HA 0.388 4.915 4.527 0.001 0.000 0.302 129 F C 1.674 177.387 175.800 -0.145 0.000 1.097 129 F CA 0.442 58.346 58.000 -0.161 0.000 1.330 129 F CB -0.039 38.845 39.000 -0.194 0.000 1.084 129 F HN 0.257 nan 8.300 nan 0.000 0.578 130 G N 0.675 109.478 108.800 0.006 0.000 2.132 130 G HA2 -0.311 3.650 3.960 0.001 0.000 0.228 130 G HA3 -0.311 3.650 3.960 0.001 0.000 0.228 130 G C 1.236 176.140 174.900 0.006 0.000 1.000 130 G CA 0.342 45.429 45.100 -0.021 0.000 0.693 130 G HN 0.345 nan 8.290 nan 0.000 0.515 131 R N -0.460 120.058 120.500 0.030 0.000 2.083 131 R HA 0.010 4.350 4.340 0.001 0.000 0.237 131 R C 2.520 178.833 176.300 0.022 0.000 1.137 131 R CA 1.966 58.089 56.100 0.038 0.000 0.951 131 R CB -0.246 30.085 30.300 0.052 0.000 0.851 131 R HN 0.540 nan 8.270 nan 0.000 0.434 132 L N -0.471 120.754 121.223 0.004 0.000 2.072 132 L HA -0.067 4.273 4.340 0.001 0.000 0.205 132 L C 2.803 179.672 176.870 -0.001 0.000 1.079 132 L CA 1.070 55.910 54.840 -0.001 0.000 0.752 132 L CB -0.437 41.613 42.059 -0.016 0.000 0.906 132 L HN 0.171 nan 8.230 nan 0.000 0.436 133 R N -0.201 120.291 120.500 -0.014 0.000 2.091 133 R HA -0.165 4.176 4.340 0.001 0.000 0.238 133 R C 2.468 178.781 176.300 0.022 0.000 1.136 133 R CA 1.759 57.856 56.100 -0.003 0.000 0.959 133 R CB -0.103 30.184 30.300 -0.021 0.000 0.856 133 R HN 0.247 nan 8.270 nan 0.000 0.437 134 S N 0.868 116.579 115.700 0.019 0.000 2.343 134 S HA -0.125 4.346 4.470 0.001 0.000 0.219 134 S C 1.883 176.509 174.600 0.044 0.000 1.033 134 S CA 1.260 59.477 58.200 0.028 0.000 1.014 134 S CB -0.252 62.963 63.200 0.024 0.000 0.915 134 S HN 0.282 nan 8.310 nan 0.000 0.435 135 L N 1.278 122.527 121.223 0.043 0.000 2.081 135 L HA -0.192 4.148 4.340 0.001 0.000 0.212 135 L C 2.848 179.761 176.870 0.071 0.000 1.080 135 L CA 1.309 56.181 54.840 0.053 0.000 0.754 135 L CB -0.515 41.570 42.059 0.043 0.000 0.893 135 L HN 0.281 nan 8.230 nan 0.000 0.433 136 R N 0.547 121.088 120.500 0.068 0.000 2.061 136 R HA -0.167 4.174 4.340 0.001 0.000 0.230 136 R C 1.705 178.117 176.300 0.186 0.000 1.140 136 R CA 2.037 58.201 56.100 0.105 0.000 0.940 136 R CB -0.451 29.887 30.300 0.064 0.000 0.839 136 R HN 0.363 nan 8.270 nan 0.000 0.429 137 D N 0.666 121.149 120.400 0.137 0.000 2.221 137 D HA -0.203 4.438 4.640 0.001 0.000 0.204 137 D C 1.832 178.190 176.300 0.096 0.000 0.982 137 D CA 0.940 55.011 54.000 0.118 0.000 0.857 137 D CB -0.132 40.710 40.800 0.070 0.000 0.934 137 D HN 0.481 nan 8.370 nan 0.000 0.475 138 Q N 0.579 120.434 119.800 0.092 0.000 2.079 138 Q HA -0.094 4.246 4.340 0.001 0.000 0.200 138 Q C 2.055 178.131 176.000 0.127 0.000 0.974 138 Q CA 1.318 57.171 55.803 0.084 0.000 0.840 138 Q CB 0.013 28.796 28.738 0.074 0.000 0.898 138 Q HN 0.177 nan 8.270 nan 0.000 0.430 139 A N 0.702 123.625 122.820 0.171 0.000 1.969 139 A HA -0.136 4.184 4.320 0.001 0.000 0.218 139 A C 1.929 179.671 177.584 0.264 0.000 1.169 139 A CA 1.057 53.237 52.037 0.237 0.000 0.635 139 A CB -0.521 18.626 19.000 0.245 0.000 0.810 139 A HN 0.481 nan 8.150 nan 0.000 0.445 140 L N -0.259 121.086 121.223 0.202 0.000 2.072 140 L HA -0.059 4.281 4.340 0.001 0.000 0.205 140 L C 2.073 178.973 176.870 0.049 0.000 1.079 140 L CA 2.020 56.862 54.840 0.003 0.000 0.752 140 L CB -0.580 41.406 42.059 -0.122 0.000 0.906 140 L HN 0.330 nan 8.230 nan 0.000 0.436 141 E N -0.372 119.859 120.200 0.052 0.000 2.106 141 E HA -0.217 4.133 4.350 0.001 0.000 0.192 141 E C 2.111 178.706 176.600 -0.009 0.000 0.984 141 E CA 1.109 57.525 56.400 0.027 0.000 0.806 141 E CB -0.160 29.562 29.700 0.037 0.000 0.750 141 E HN 0.683 nan 8.360 nan 0.000 0.458 142 Q N -0.302 119.536 119.800 0.064 0.000 2.124 142 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 142 Q C 2.111 178.079 176.000 -0.054 0.000 0.977 142 Q CA 1.335 57.166 55.803 0.045 0.000 0.850 142 Q CB -0.336 28.549 28.738 0.246 0.000 0.901 142 Q HN 0.349 nan 8.270 nan 0.000 0.429 143 Y N 1.485 121.776 120.300 -0.015 0.000 2.097 143 Y HA -0.241 4.309 4.550 0.001 0.000 0.282 143 Y C 1.862 177.626 175.900 -0.226 0.000 1.152 143 Y CA 1.444 59.509 58.100 -0.057 0.000 1.136 143 Y CB -0.434 38.010 38.460 -0.027 0.000 0.975 143 Y HN -0.021 nan 8.280 nan 0.000 0.498 144 L N 0.225 121.178 121.223 -0.451 0.000 2.042 144 L HA -0.279 4.061 4.340 0.001 0.000 0.210 144 L C 2.870 179.298 176.870 -0.736 0.000 1.076 144 L CA 1.317 55.701 54.840 -0.761 0.000 0.749 144 L CB -1.144 40.379 42.059 -0.893 0.000 0.893 144 L HN 0.435 nan 8.230 nan 0.000 0.432 145 A N -0.223 122.309 122.820 -0.480 0.000 1.883 145 A HA -0.230 4.090 4.320 0.001 0.000 0.217 145 A C 2.355 179.723 177.584 -0.360 0.000 1.186 145 A CA 2.516 54.386 52.037 -0.278 0.000 0.624 145 A CB -1.023 17.875 19.000 -0.169 0.000 0.822 145 A HN 0.433 nan 8.150 nan 0.000 0.444 146 T N -0.625 113.632 114.554 -0.494 0.000 2.788 146 T HA -0.138 4.213 4.350 0.001 0.000 0.268 146 T C 1.791 176.238 174.700 -0.421 0.000 1.044 146 T CA 1.438 63.230 62.100 -0.515 0.000 1.139 146 T CB -0.228 68.207 68.868 -0.722 0.000 0.867 146 T HN 0.684 nan 8.240 nan 0.000 0.454 147 E N 0.612 120.495 120.200 -0.529 0.000 2.085 147 E HA -0.199 4.152 4.350 0.001 0.000 0.194 147 E C 2.388 178.735 176.600 -0.422 0.000 0.994 147 E CA 0.956 57.059 56.400 -0.494 0.000 0.801 147 E CB 0.054 29.387 29.700 -0.611 0.000 0.743 147 E HN 0.351 nan 8.360 nan 0.000 0.453 148 Q N -0.360 119.216 119.800 -0.373 0.000 2.119 148 Q HA -0.094 4.247 4.340 0.001 0.000 0.201 148 Q C 2.113 177.954 176.000 -0.265 0.000 0.972 148 Q CA 1.187 56.810 55.803 -0.299 0.000 0.847 148 Q CB -0.285 28.353 28.738 -0.167 0.000 0.903 148 Q HN 0.334 nan 8.270 nan 0.000 0.433 149 A N 1.077 123.754 122.820 -0.237 0.000 1.940 149 A HA -0.248 4.072 4.320 0.001 0.000 0.219 149 A C 2.109 179.589 177.584 -0.173 0.000 1.176 149 A CA 1.663 53.590 52.037 -0.184 0.000 0.631 149 A CB -0.560 18.329 19.000 -0.185 0.000 0.814 149 A HN 0.391 nan 8.150 nan 0.000 0.446 150 Q N -0.415 119.258 119.800 -0.211 0.000 2.020 150 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 150 Q C 2.378 178.251 176.000 -0.211 0.000 0.982 150 Q CA 1.714 57.416 55.803 -0.169 0.000 0.838 150 Q CB -0.157 28.480 28.738 -0.167 0.000 0.899 150 Q HN 0.697 nan 8.270 nan 0.000 0.423 151 R N -0.250 119.982 120.500 -0.446 0.000 2.083 151 R HA -0.137 4.203 4.340 0.001 0.000 0.237 151 R C 2.633 178.828 176.300 -0.175 0.000 1.137 151 R CA 1.448 57.225 56.100 -0.538 0.000 0.951 151 R CB -0.605 29.136 30.300 -0.930 0.000 0.851 151 R HN 0.186 nan 8.270 nan 0.000 0.434 152 S N 0.453 116.051 115.700 -0.169 0.000 2.359 152 S HA -0.221 4.250 4.470 0.001 0.000 0.223 152 S C 2.108 176.683 174.600 -0.042 0.000 1.039 152 S CA 1.491 59.638 58.200 -0.090 0.000 1.042 152 S CB -0.240 62.905 63.200 -0.091 0.000 0.915 152 S HN 0.487 nan 8.310 nan 0.000 0.439 153 A N 0.747 123.540 122.820 -0.045 0.000 1.908 153 A HA -0.228 4.092 4.320 0.001 0.000 0.218 153 A C 2.153 179.749 177.584 0.020 0.000 1.181 153 A CA 2.120 54.149 52.037 -0.013 0.000 0.627 153 A CB -1.031 17.960 19.000 -0.015 0.000 0.818 153 A HN 0.756 nan 8.150 nan 0.000 0.445 154 Q N -0.346 119.493 119.800 0.064 0.000 2.050 154 Q HA -0.202 4.139 4.340 0.001 0.000 0.202 154 Q C 2.191 178.240 176.000 0.082 0.000 0.980 154 Q CA 2.847 58.722 55.803 0.119 0.000 0.840 154 Q CB -0.432 28.500 28.738 0.323 0.000 0.898 154 Q HN 0.791 nan 8.270 nan 0.000 0.424 155 T N -2.334 112.274 114.554 0.089 0.000 2.759 155 T HA -0.143 4.207 4.350 0.001 0.000 0.269 155 T C 1.874 176.600 174.700 0.042 0.000 1.042 155 T CA 1.724 63.862 62.100 0.063 0.000 1.140 155 T CB -0.840 68.038 68.868 0.015 0.000 0.864 155 T HN 0.233 nan 8.240 nan 0.000 0.455 156 T N 2.054 116.622 114.554 0.023 0.000 2.708 156 T HA 0.019 4.369 4.350 0.001 0.000 0.266 156 T C 1.777 176.485 174.700 0.014 0.000 1.037 156 T CA 1.246 63.358 62.100 0.019 0.000 1.146 156 T CB -0.569 68.303 68.868 0.007 0.000 0.865 156 T HN 0.214 nan 8.240 nan 0.000 0.435 157 L N 1.381 122.604 121.223 -0.001 0.000 2.012 157 L HA -0.067 4.274 4.340 0.001 0.000 0.210 157 L C 2.468 179.301 176.870 -0.062 0.000 1.073 157 L CA 1.539 56.360 54.840 -0.032 0.000 0.748 157 L CB -0.854 41.179 42.059 -0.044 0.000 0.891 157 L HN 0.095 nan 8.230 nan 0.000 0.431 158 V N -0.048 119.830 119.914 -0.059 0.000 2.287 158 V HA -0.328 3.793 4.120 0.001 0.000 0.248 158 V C 2.786 178.893 176.094 0.022 0.000 1.053 158 V CA 1.762 64.013 62.300 -0.082 0.000 1.027 158 V CB -1.526 30.314 31.823 0.028 0.000 0.646 158 V HN 0.603 nan 8.190 nan 0.000 0.447 159 A N -0.353 122.536 122.820 0.116 0.000 1.908 159 A HA -0.223 4.098 4.320 0.001 0.000 0.218 159 A C 2.482 180.114 177.584 0.080 0.000 1.181 159 A CA 2.400 54.534 52.037 0.161 0.000 0.627 159 A CB -0.722 18.367 19.000 0.149 0.000 0.818 159 A HN 0.519 nan 8.150 nan 0.000 0.445 160 S N -0.592 115.127 115.700 0.031 0.000 2.368 160 S HA -0.099 4.371 4.470 0.001 0.000 0.224 160 S C 1.906 176.499 174.600 -0.011 0.000 1.029 160 S CA 1.286 59.494 58.200 0.013 0.000 0.988 160 S CB -0.431 62.770 63.200 0.001 0.000 0.838 160 S HN 0.340 nan 8.310 nan 0.000 0.462 161 V N 2.173 122.051 119.914 -0.059 0.000 2.261 161 V HA -0.220 3.901 4.120 0.001 0.000 0.246 161 V C 2.688 178.724 176.094 -0.097 0.000 1.047 161 V CA 1.800 64.040 62.300 -0.099 0.000 1.015 161 V CB -1.231 30.483 31.823 -0.183 0.000 0.642 161 V HN 0.541 nan 8.190 nan 0.000 0.446 162 A N -0.500 122.226 122.820 -0.156 0.000 1.908 162 A HA -0.243 4.078 4.320 0.001 0.000 0.218 162 A C 2.388 180.005 177.584 0.056 0.000 1.181 162 A CA 2.603 54.556 52.037 -0.141 0.000 0.627 162 A CB -0.963 17.936 19.000 -0.168 0.000 0.818 162 A HN 0.516 nan 8.150 nan 0.000 0.445 163 T N 0.045 114.635 114.554 0.060 0.000 2.777 163 T HA 0.045 4.396 4.350 0.001 0.000 0.266 163 T C 2.240 176.971 174.700 0.053 0.000 1.040 163 T CA 1.444 63.583 62.100 0.066 0.000 1.141 163 T CB -0.403 68.501 68.868 0.060 0.000 0.868 163 T HN 0.592 nan 8.240 nan 0.000 0.444 164 A N 0.488 123.336 122.820 0.046 0.000 1.902 164 A HA -0.096 4.224 4.320 0.001 0.000 0.217 164 A C 2.089 179.709 177.584 0.061 0.000 1.181 164 A CA 1.512 53.573 52.037 0.040 0.000 0.623 164 A CB -1.005 18.012 19.000 0.028 0.000 0.818 164 A HN 0.593 nan 8.150 nan 0.000 0.443 165 Y N 0.533 120.799 120.300 -0.056 0.000 2.145 165 Y HA -0.156 4.395 4.550 0.001 0.000 0.286 165 Y C 1.944 177.816 175.900 -0.046 0.000 1.145 165 Y CA 1.919 59.983 58.100 -0.059 0.000 1.148 165 Y CB -0.282 38.124 38.460 -0.089 0.000 0.981 165 Y HN 0.216 nan 8.280 nan 0.000 0.507 166 L N -1.007 120.242 121.223 0.043 0.000 2.093 166 L HA -0.216 4.124 4.340 0.001 0.000 0.208 166 L C 2.309 179.119 176.870 -0.100 0.000 1.085 166 L CA 1.739 56.545 54.840 -0.056 0.000 0.755 166 L CB -0.937 41.142 42.059 0.033 0.000 0.904 166 L HN 0.183 nan 8.230 nan 0.000 0.435 167 T N 0.314 114.837 114.554 -0.053 0.000 2.746 167 T HA -0.196 4.154 4.350 0.001 0.000 0.267 167 T C 1.845 176.501 174.700 -0.073 0.000 1.039 167 T CA 1.306 63.378 62.100 -0.046 0.000 1.142 167 T CB -0.279 68.582 68.868 -0.013 0.000 0.866 167 T HN 0.116 nan 8.240 nan 0.000 0.444 168 L N 1.225 122.388 121.223 -0.099 0.000 2.012 168 L HA -0.027 4.314 4.340 0.001 0.000 0.210 168 L C 2.292 179.055 176.870 -0.178 0.000 1.073 168 L CA 1.913 56.678 54.840 -0.124 0.000 0.748 168 L CB -0.540 41.438 42.059 -0.134 0.000 0.891 168 L HN 0.024 nan 8.230 nan 0.000 0.431 169 K N -0.733 119.502 120.400 -0.276 0.000 2.097 169 K HA -0.046 4.274 4.320 0.001 0.000 0.205 169 K C 2.032 178.523 176.600 -0.182 0.000 1.050 169 K CA 1.292 57.411 56.287 -0.280 0.000 0.938 169 K CB -0.388 31.888 32.500 -0.374 0.000 0.718 169 K HN 0.474 nan 8.250 nan 0.000 0.442 170 A N 1.219 123.948 122.820 -0.151 0.000 1.858 170 A HA -0.209 4.112 4.320 0.001 0.000 0.216 170 A C 1.762 179.258 177.584 -0.148 0.000 1.190 170 A CA 2.118 54.079 52.037 -0.127 0.000 0.617 170 A CB -0.739 18.205 19.000 -0.093 0.000 0.827 170 A HN 0.325 nan 8.150 nan 0.000 0.443 171 D N -0.726 119.604 120.400 -0.116 0.000 2.178 171 D HA -0.126 4.514 4.640 0.001 0.000 0.202 171 D C 2.140 178.348 176.300 -0.154 0.000 0.974 171 D CA 1.166 55.097 54.000 -0.115 0.000 0.841 171 D CB -0.316 40.493 40.800 0.015 0.000 0.953 171 D HN 0.614 nan 8.370 nan 0.000 0.478 172 Q N 0.212 119.935 119.800 -0.127 0.000 2.124 172 Q HA -0.090 4.250 4.340 0.001 0.000 0.202 172 Q C 2.184 178.101 176.000 -0.139 0.000 0.977 172 Q CA 1.311 57.045 55.803 -0.116 0.000 0.850 172 Q CB -0.020 28.653 28.738 -0.109 0.000 0.901 172 Q HN 0.204 nan 8.270 nan 0.000 0.429 173 A N 0.746 123.472 122.820 -0.157 0.000 1.873 173 A HA -0.216 4.105 4.320 0.001 0.000 0.215 173 A C 2.029 179.487 177.584 -0.210 0.000 1.186 173 A CA 1.119 53.065 52.037 -0.152 0.000 0.616 173 A CB -0.421 18.499 19.000 -0.132 0.000 0.823 173 A HN 0.259 nan 8.150 nan 0.000 0.442 174 Q N -0.736 118.856 119.800 -0.346 0.000 2.077 174 Q HA -0.234 4.107 4.340 0.001 0.000 0.206 174 Q C 2.133 177.829 176.000 -0.507 0.000 0.989 174 Q CA 1.735 57.168 55.803 -0.616 0.000 0.853 174 Q CB -0.777 27.128 28.738 -1.388 0.000 0.907 174 Q HN 0.600 nan 8.270 nan 0.000 0.418 175 L N 0.972 121.969 121.223 -0.378 0.000 2.017 175 L HA -0.227 4.113 4.340 0.001 0.000 0.208 175 L C 2.496 179.325 176.870 -0.067 0.000 1.073 175 L CA 2.004 56.779 54.840 -0.108 0.000 0.745 175 L CB -0.639 41.403 42.059 -0.030 0.000 0.894 175 L HN 0.129 nan 8.230 nan 0.000 0.432 176 Q N -0.593 119.153 119.800 -0.091 0.000 2.050 176 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 176 Q C 2.159 178.115 176.000 -0.074 0.000 0.980 176 Q CA 2.279 58.039 55.803 -0.072 0.000 0.840 176 Q CB -0.709 27.985 28.738 -0.072 0.000 0.898 176 Q HN 0.546 nan 8.270 nan 0.000 0.424 177 L N -0.143 121.036 121.223 -0.073 0.000 2.042 177 L HA -0.183 4.157 4.340 0.001 0.000 0.210 177 L C 1.972 178.818 176.870 -0.041 0.000 1.076 177 L CA 2.505 57.322 54.840 -0.037 0.000 0.749 177 L CB -1.062 41.007 42.059 0.017 0.000 0.893 177 L HN 0.243 nan 8.230 nan 0.000 0.432 178 T N -0.466 114.107 114.554 0.032 0.000 2.746 178 T HA -0.193 4.158 4.350 0.001 0.000 0.267 178 T C 1.868 176.491 174.700 -0.129 0.000 1.039 178 T CA 1.717 63.828 62.100 0.019 0.000 1.142 178 T CB -0.193 68.820 68.868 0.241 0.000 0.866 178 T HN 0.348 nan 8.240 nan 0.000 0.444 179 K N 0.836 121.189 120.400 -0.079 0.000 2.020 179 K HA -0.171 4.150 4.320 0.001 0.000 0.212 179 K C 2.135 178.644 176.600 -0.151 0.000 1.050 179 K CA 1.802 58.032 56.287 -0.095 0.000 0.929 179 K CB -0.224 32.239 32.500 -0.061 0.000 0.714 179 K HN 0.270 nan 8.250 nan 0.000 0.443 180 D N -0.197 120.106 120.400 -0.161 0.000 2.117 180 D HA -0.115 4.526 4.640 0.001 0.000 0.197 180 D C 1.907 178.030 176.300 -0.294 0.000 0.987 180 D CA 1.346 55.239 54.000 -0.179 0.000 0.829 180 D CB -0.459 40.251 40.800 -0.150 0.000 0.961 180 D HN 0.186 nan 8.370 nan 0.000 0.460 181 T N 1.252 115.536 114.554 -0.449 0.000 2.777 181 T HA -0.110 4.240 4.350 0.001 0.000 0.266 181 T C 1.930 176.097 174.700 -0.888 0.000 1.040 181 T CA 0.429 62.047 62.100 -0.802 0.000 1.141 181 T CB -0.317 67.816 68.868 -1.226 0.000 0.868 181 T HN 0.026 nan 8.240 nan 0.000 0.444 182 L N 1.724 122.598 121.223 -0.582 0.000 1.989 182 L HA 0.047 4.387 4.340 0.001 0.000 0.211 182 L C 2.610 179.353 176.870 -0.211 0.000 1.071 182 L CA 2.215 56.844 54.840 -0.352 0.000 0.749 182 L CB -1.315 40.635 42.059 -0.183 0.000 0.890 182 L HN 0.293 nan 8.230 nan 0.000 0.431 183 G N -1.813 106.882 108.800 -0.174 0.000 2.505 183 G HA2 -0.335 3.625 3.960 0.001 0.000 0.220 183 G HA3 -0.335 3.625 3.960 0.001 0.000 0.220 183 G C 1.440 176.303 174.900 -0.062 0.000 1.145 183 G CA 1.510 46.554 45.100 -0.093 0.000 0.761 183 G HN 0.475 nan 8.290 nan 0.000 0.571 184 T N -0.094 114.379 114.554 -0.135 0.000 2.812 184 T HA -0.049 4.302 4.350 0.001 0.000 0.264 184 T C 2.071 176.858 174.700 0.145 0.000 1.042 184 T CA 1.119 63.201 62.100 -0.030 0.000 1.140 184 T CB -0.380 68.424 68.868 -0.106 0.000 0.870 184 T HN 0.528 nan 8.240 nan 0.000 0.445 185 Y N 1.441 121.726 120.300 -0.026 0.000 2.181 185 Y HA -0.202 4.348 4.550 0.001 0.000 0.288 185 Y C 3.016 178.972 175.900 0.092 0.000 1.146 185 Y CA 0.562 58.681 58.100 0.031 0.000 1.164 185 Y CB -0.291 38.159 38.460 -0.017 0.000 0.982 185 Y HN 0.227 nan 8.280 nan 0.000 0.515 186 Q N 0.632 120.547 119.800 0.191 0.000 2.061 186 Q HA -0.233 4.107 4.340 0.001 0.000 0.204 186 Q C 2.268 178.395 176.000 0.213 0.000 0.984 186 Q CA 1.721 57.622 55.803 0.163 0.000 0.846 186 Q CB -0.107 28.672 28.738 0.068 0.000 0.902 186 Q HN 0.325 nan 8.270 nan 0.000 0.421 187 K N -0.345 120.150 120.400 0.159 0.000 2.032 187 K HA -0.183 4.137 4.320 0.001 0.000 0.209 187 K C 2.320 179.026 176.600 0.177 0.000 1.048 187 K CA 1.512 57.886 56.287 0.144 0.000 0.927 187 K CB -0.271 32.293 32.500 0.108 0.000 0.712 187 K HN 0.095 nan 8.250 nan 0.000 0.441 188 S N 0.072 115.904 115.700 0.221 0.000 2.368 188 S HA -0.188 4.283 4.470 0.001 0.000 0.225 188 S C 1.822 176.553 174.600 0.218 0.000 1.030 188 S CA 1.245 59.584 58.200 0.231 0.000 0.999 188 S CB -0.481 62.885 63.200 0.276 0.000 0.844 188 S HN 0.435 nan 8.310 nan 0.000 0.459 189 F N 2.303 122.322 119.950 0.114 0.000 2.161 189 F HA -0.102 4.426 4.527 0.001 0.000 0.300 189 F C 1.787 177.617 175.800 0.050 0.000 1.089 189 F CA 2.090 60.122 58.000 0.053 0.000 1.282 189 F CB -0.452 38.562 39.000 0.024 0.000 1.010 189 F HN 0.220 nan 8.300 nan 0.000 0.485 190 D N 0.693 121.193 120.400 0.168 0.000 2.117 190 D HA -0.160 4.481 4.640 0.001 0.000 0.198 190 D C 2.462 178.741 176.300 -0.036 0.000 0.982 190 D CA 1.406 55.445 54.000 0.065 0.000 0.828 190 D CB -0.582 40.306 40.800 0.147 0.000 0.967 190 D HN 0.340 nan 8.370 nan 0.000 0.464 191 L N 0.593 121.829 121.223 0.022 0.000 2.042 191 L HA -0.171 4.169 4.340 0.001 0.000 0.210 191 L C 2.392 179.269 176.870 0.011 0.000 1.076 191 L CA 1.283 56.144 54.840 0.035 0.000 0.749 191 L CB -0.626 41.484 42.059 0.086 0.000 0.893 191 L HN 0.063 nan 8.230 nan 0.000 0.432 192 T N -1.528 113.007 114.554 -0.032 0.000 2.821 192 T HA -0.243 4.108 4.350 0.001 0.000 0.267 192 T C 1.753 176.353 174.700 -0.167 0.000 1.046 192 T CA 1.286 63.357 62.100 -0.048 0.000 1.139 192 T CB -0.097 68.693 68.868 -0.130 0.000 0.871 192 T HN 0.232 nan 8.240 nan 0.000 0.454 193 Q N 1.359 120.940 119.800 -0.365 0.000 2.050 193 Q HA -0.026 4.315 4.340 0.001 0.000 0.202 193 Q C 2.348 178.325 176.000 -0.038 0.000 0.980 193 Q CA 1.539 57.180 55.803 -0.270 0.000 0.840 193 Q CB -0.144 28.373 28.738 -0.368 0.000 0.898 193 Q HN 0.386 nan 8.270 nan 0.000 0.424 194 R N -0.500 119.980 120.500 -0.033 0.000 2.105 194 R HA -0.121 4.219 4.340 0.001 0.000 0.239 194 R C 2.598 178.907 176.300 0.015 0.000 1.135 194 R CA 1.337 57.441 56.100 0.006 0.000 0.967 194 R CB -0.507 29.797 30.300 0.007 0.000 0.861 194 R HN 0.262 nan 8.270 nan 0.000 0.442 195 S N 0.006 115.721 115.700 0.024 0.000 2.348 195 S HA -0.210 4.260 4.470 0.001 0.000 0.221 195 S C 1.809 176.436 174.600 0.045 0.000 1.033 195 S CA 1.180 59.400 58.200 0.032 0.000 1.010 195 S CB -0.345 62.891 63.200 0.060 0.000 0.891 195 S HN 0.449 nan 8.310 nan 0.000 0.442 196 Y N 2.373 122.644 120.300 -0.048 0.000 2.114 196 Y HA -0.190 4.361 4.550 0.001 0.000 0.282 196 Y C 1.893 177.770 175.900 -0.037 0.000 1.165 196 Y CA 2.370 60.441 58.100 -0.048 0.000 1.148 196 Y CB -0.655 37.758 38.460 -0.079 0.000 0.972 196 Y HN 0.295 nan 8.280 nan 0.000 0.504 197 D N -0.657 119.761 120.400 0.031 0.000 2.221 197 D HA -0.168 4.472 4.640 0.001 0.000 0.204 197 D C 1.926 178.154 176.300 -0.120 0.000 0.982 197 D CA 1.395 55.365 54.000 -0.050 0.000 0.857 197 D CB -0.303 40.514 40.800 0.028 0.000 0.934 197 D HN 0.346 nan 8.370 nan 0.000 0.475 198 V N -1.015 118.841 119.914 -0.096 0.000 3.647 198 V HA 0.289 4.410 4.120 0.001 0.000 0.279 198 V C 1.399 177.431 176.094 -0.104 0.000 1.314 198 V CA 0.930 63.183 62.300 -0.079 0.000 1.125 198 V CB 0.385 32.182 31.823 -0.044 0.000 0.907 198 V HN 0.405 nan 8.190 nan 0.000 0.434 199 G N -0.899 107.802 108.800 -0.164 0.000 2.179 199 G HA2 -0.215 3.745 3.960 0.001 0.000 0.220 199 G HA3 -0.215 3.745 3.960 0.001 0.000 0.220 199 G C 0.491 175.323 174.900 -0.113 0.000 0.990 199 G CA 0.423 45.424 45.100 -0.165 0.000 0.646 199 G HN 0.317 nan 8.290 nan 0.000 0.517 200 V N 0.697 120.565 119.914 -0.077 0.000 2.735 200 V HA 0.635 4.756 4.120 0.001 0.000 0.234 200 V C 2.074 178.177 176.094 0.015 0.000 1.121 200 V CA 1.438 63.716 62.300 -0.036 0.000 1.160 200 V CB -0.408 31.389 31.823 -0.043 0.000 0.908 200 V HN 1.106 nan 8.190 nan 0.000 0.495 201 A N 1.490 124.352 122.820 0.070 0.000 2.483 201 A HA 0.434 4.754 4.320 0.001 0.000 0.238 201 A C 0.640 178.347 177.584 0.205 0.000 1.070 201 A CA 0.589 52.733 52.037 0.178 0.000 0.770 201 A CB 0.002 19.139 19.000 0.227 0.000 1.008 201 A HN 0.631 nan 8.150 nan 0.000 0.497 202 S N 1.001 116.822 115.700 0.201 0.000 2.672 202 S HA 0.560 5.031 4.470 0.001 0.000 0.276 202 S C 1.237 175.952 174.600 0.191 0.000 1.207 202 S CA -0.180 58.140 58.200 0.200 0.000 1.002 202 S CB 1.378 64.651 63.200 0.123 0.000 0.998 202 S HN 1.647 nan 8.310 nan 0.000 0.542 203 A N 1.193 124.130 122.820 0.194 0.000 1.917 203 A HA -0.088 4.232 4.320 0.001 0.000 0.219 203 A C 2.048 179.580 177.584 -0.087 0.000 1.182 203 A CA 1.791 53.812 52.037 -0.027 0.000 0.633 203 A CB -1.187 17.837 19.000 0.041 0.000 0.819 203 A HN 1.005 nan 8.150 nan 0.000 0.448 204 L N -0.074 121.132 121.223 -0.029 0.000 1.989 204 L HA -0.239 4.101 4.340 0.001 0.000 0.211 204 L C 1.947 178.739 176.870 -0.130 0.000 1.071 204 L CA 2.618 57.426 54.840 -0.053 0.000 0.749 204 L CB -0.558 41.498 42.059 -0.006 0.000 0.890 204 L HN 0.370 nan 8.230 nan 0.000 0.431 205 D N -0.333 119.989 120.400 -0.131 0.000 2.126 205 D HA -0.261 4.379 4.640 0.001 0.000 0.190 205 D C 2.150 178.108 176.300 -0.571 0.000 1.001 205 D CA 1.781 55.567 54.000 -0.357 0.000 0.841 205 D CB -0.438 40.276 40.800 -0.143 0.000 0.949 205 D HN 0.298 nan 8.370 nan 0.000 0.446 206 L N 0.986 121.995 121.223 -0.357 0.000 2.012 206 L HA -0.147 4.193 4.340 0.001 0.000 0.210 206 L C 2.239 178.986 176.870 -0.205 0.000 1.073 206 L CA 1.623 56.254 54.840 -0.349 0.000 0.748 206 L CB -0.247 41.568 42.059 -0.407 0.000 0.891 206 L HN -0.125 nan 8.230 nan 0.000 0.431 207 R N -0.511 119.882 120.500 -0.178 0.000 2.081 207 R HA -0.145 4.196 4.340 0.001 0.000 0.235 207 R C 2.181 178.409 176.300 -0.120 0.000 1.131 207 R CA 1.545 57.581 56.100 -0.106 0.000 0.960 207 R CB -0.809 29.439 30.300 -0.087 0.000 0.856 207 R HN 0.583 nan 8.270 nan 0.000 0.436 208 Q N 0.046 119.726 119.800 -0.200 0.000 2.030 208 Q HA -0.117 4.224 4.340 0.001 0.000 0.204 208 Q C 2.192 178.080 176.000 -0.187 0.000 0.986 208 Q CA 1.962 57.656 55.803 -0.182 0.000 0.843 208 Q CB -0.295 28.337 28.738 -0.177 0.000 0.904 208 Q HN 0.373 nan 8.270 nan 0.000 0.420 209 A N 1.015 123.605 122.820 -0.382 0.000 1.892 209 A HA -0.342 3.978 4.320 0.001 0.000 0.218 209 A C 2.041 179.676 177.584 0.085 0.000 1.188 209 A CA 1.980 53.936 52.037 -0.134 0.000 0.631 209 A CB -0.824 18.059 19.000 -0.195 0.000 0.822 209 A HN 0.483 nan 8.150 nan 0.000 0.447 210 Q N -1.122 118.755 119.800 0.129 0.000 2.061 210 Q HA -0.197 4.144 4.340 0.001 0.000 0.204 210 Q C 2.085 178.053 176.000 -0.052 0.000 0.984 210 Q CA 2.371 58.178 55.803 0.006 0.000 0.846 210 Q CB -0.570 28.170 28.738 0.004 0.000 0.902 210 Q HN 0.533 nan 8.270 nan 0.000 0.421 211 T N 0.171 114.701 114.554 -0.040 0.000 2.680 211 T HA -0.280 4.070 4.350 0.001 0.000 0.268 211 T C 1.613 176.293 174.700 -0.033 0.000 1.033 211 T CA 1.669 63.747 62.100 -0.036 0.000 1.152 211 T CB -0.468 68.379 68.868 -0.035 0.000 0.859 211 T HN 0.552 nan 8.240 nan 0.000 0.452 212 A N 0.149 122.925 122.820 -0.073 0.000 1.930 212 A HA 0.010 4.330 4.320 0.001 0.000 0.217 212 A C 2.539 180.147 177.584 0.040 0.000 1.175 212 A CA 1.316 53.256 52.037 -0.161 0.000 0.627 212 A CB -0.707 17.964 19.000 -0.549 0.000 0.815 212 A HN 0.400 nan 8.150 nan 0.000 0.443 213 V N 0.587 120.527 119.914 0.044 0.000 2.270 213 V HA -0.205 3.915 4.120 0.001 0.000 0.245 213 V C 2.549 178.668 176.094 0.042 0.000 1.043 213 V CA 2.105 64.453 62.300 0.079 0.000 1.014 213 V CB -0.733 31.045 31.823 -0.075 0.000 0.645 213 V HN 0.560 nan 8.190 nan 0.000 0.447 214 E N 0.756 120.948 120.200 -0.012 0.000 2.110 214 E HA -0.155 4.196 4.350 0.001 0.000 0.193 214 E C 2.352 178.972 176.600 0.033 0.000 0.988 214 E CA 1.462 57.855 56.400 -0.012 0.000 0.804 214 E CB -0.812 28.866 29.700 -0.036 0.000 0.745 214 E HN 0.612 nan 8.360 nan 0.000 0.458 215 G N 1.573 110.411 108.800 0.063 0.000 2.440 215 G HA2 -0.224 3.737 3.960 0.001 0.000 0.218 215 G HA3 -0.224 3.737 3.960 0.001 0.000 0.218 215 G C 1.787 176.784 174.900 0.161 0.000 1.154 215 G CA 1.388 46.550 45.100 0.104 0.000 0.767 215 G HN 0.405 nan 8.290 nan 0.000 0.552 216 A N 0.583 123.522 122.820 0.199 0.000 1.933 216 A HA 0.027 4.347 4.320 0.001 0.000 0.218 216 A C 2.409 180.049 177.584 0.094 0.000 1.175 216 A CA 1.598 53.738 52.037 0.172 0.000 0.628 216 A CB -0.393 18.662 19.000 0.091 0.000 0.814 216 A HN 0.347 nan 8.150 nan 0.000 0.444 217 R N -0.606 119.927 120.500 0.055 0.000 2.091 217 R HA -0.127 4.213 4.340 0.001 0.000 0.238 217 R C 2.445 178.763 176.300 0.031 0.000 1.136 217 R CA 1.309 57.424 56.100 0.024 0.000 0.959 217 R CB -0.398 29.901 30.300 -0.002 0.000 0.856 217 R HN 0.532 nan 8.270 nan 0.000 0.437 218 A N 0.004 122.846 122.820 0.036 0.000 1.898 218 A HA -0.116 4.205 4.320 0.001 0.000 0.216 218 A C 2.121 179.712 177.584 0.011 0.000 1.181 218 A CA 1.777 53.823 52.037 0.016 0.000 0.620 218 A CB -0.675 18.332 19.000 0.010 0.000 0.819 218 A HN 0.284 nan 8.150 nan 0.000 0.442 219 T N 0.320 114.909 114.554 0.059 0.000 2.788 219 T HA -0.148 4.202 4.350 0.001 0.000 0.268 219 T C 1.818 176.577 174.700 0.100 0.000 1.044 219 T CA 1.477 63.613 62.100 0.060 0.000 1.139 219 T CB -0.394 68.620 68.868 0.243 0.000 0.867 219 T HN 0.317 nan 8.240 nan 0.000 0.454 220 L N 1.605 122.903 121.223 0.126 0.000 1.989 220 L HA -0.024 4.316 4.340 0.001 0.000 0.211 220 L C 2.654 179.568 176.870 0.074 0.000 1.071 220 L CA 2.093 57.004 54.840 0.119 0.000 0.749 220 L CB -1.113 40.983 42.059 0.062 0.000 0.890 220 L HN 0.230 nan 8.230 nan 0.000 0.431 221 A N -1.018 121.818 122.820 0.027 0.000 1.883 221 A HA -0.319 4.001 4.320 0.001 0.000 0.217 221 A C 2.315 179.887 177.584 -0.021 0.000 1.186 221 A CA 1.985 54.024 52.037 0.003 0.000 0.624 221 A CB -0.903 18.091 19.000 -0.009 0.000 0.822 221 A HN 0.701 nan 8.150 nan 0.000 0.444 222 Q N -1.346 118.408 119.800 -0.076 0.000 2.014 222 Q HA -0.259 4.081 4.340 0.001 0.000 0.207 222 Q C 1.954 177.861 176.000 -0.154 0.000 0.993 222 Q CA 2.395 58.096 55.803 -0.170 0.000 0.850 222 Q CB -0.373 28.177 28.738 -0.314 0.000 0.916 222 Q HN 0.783 nan 8.270 nan 0.000 0.417 223 Y N 0.265 120.567 120.300 0.005 0.000 2.352 223 Y HA -0.151 4.400 4.550 0.001 0.000 0.292 223 Y C 2.599 178.494 175.900 -0.007 0.000 1.136 223 Y CA 1.242 59.341 58.100 -0.002 0.000 1.227 223 Y CB 0.007 38.470 38.460 0.006 0.000 0.991 223 Y HN 0.238 nan 8.280 nan 0.000 0.545 224 T N -0.182 114.452 114.554 0.133 0.000 2.746 224 T HA -0.231 4.120 4.350 0.001 0.000 0.267 224 T C 1.899 176.626 174.700 0.045 0.000 1.039 224 T CA 1.536 63.678 62.100 0.071 0.000 1.142 224 T CB -0.223 68.670 68.868 0.042 0.000 0.866 224 T HN 0.325 nan 8.240 nan 0.000 0.444 225 R N 0.705 121.220 120.500 0.024 0.000 2.062 225 R HA 0.013 4.353 4.340 0.001 0.000 0.231 225 R C 2.413 178.725 176.300 0.019 0.000 1.136 225 R CA 1.155 57.259 56.100 0.008 0.000 0.948 225 R CB -0.459 29.832 30.300 -0.015 0.000 0.845 225 R HN 0.346 nan 8.270 nan 0.000 0.430 226 L N 0.418 121.661 121.223 0.033 0.000 2.042 226 L HA -0.185 4.155 4.340 0.001 0.000 0.210 226 L C 2.520 179.424 176.870 0.057 0.000 1.076 226 L CA 1.059 55.931 54.840 0.053 0.000 0.749 226 L CB -0.514 41.605 42.059 0.099 0.000 0.893 226 L HN 0.115 nan 8.230 nan 0.000 0.432 227 V N 0.247 120.202 119.914 0.069 0.000 2.287 227 V HA -0.333 3.788 4.120 0.001 0.000 0.248 227 V C 2.777 178.879 176.094 0.014 0.000 1.053 227 V CA 1.995 64.314 62.300 0.032 0.000 1.027 227 V CB -0.798 31.039 31.823 0.024 0.000 0.646 227 V HN 0.506 nan 8.190 nan 0.000 0.447 228 A N -0.966 121.863 122.820 0.016 0.000 1.898 228 A HA -0.270 4.051 4.320 0.001 0.000 0.216 228 A C 2.140 179.728 177.584 0.007 0.000 1.181 228 A CA 1.834 53.876 52.037 0.009 0.000 0.620 228 A CB -0.469 18.536 19.000 0.008 0.000 0.819 228 A HN 0.639 nan 8.150 nan 0.000 0.442 229 Q N -0.359 119.446 119.800 0.009 0.000 2.167 229 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 229 Q C 1.353 177.357 176.000 0.007 0.000 0.970 229 Q CA 1.288 57.095 55.803 0.007 0.000 0.855 229 Q CB -0.231 28.511 28.738 0.005 0.000 0.911 229 Q HN 0.592 nan 8.270 nan 0.000 0.438 230 D N 0.956 121.360 120.400 0.008 0.000 2.123 230 D HA -0.172 4.469 4.640 0.001 0.000 0.196 230 D C 1.874 178.175 176.300 0.002 0.000 0.992 230 D CA 1.202 55.204 54.000 0.003 0.000 0.833 230 D CB -0.155 40.642 40.800 -0.005 0.000 0.954 230 D HN 0.336 nan 8.370 nan 0.000 0.455 231 Q N 0.217 120.018 119.800 0.001 0.000 2.084 231 Q HA -0.115 4.225 4.340 0.001 0.000 0.202 231 Q C 1.879 177.883 176.000 0.007 0.000 0.978 231 Q CA 0.858 56.664 55.803 0.004 0.000 0.844 231 Q CB -0.079 28.661 28.738 0.003 0.000 0.898 231 Q HN 0.255 nan 8.270 nan 0.000 0.426 232 N N 0.803 119.506 118.700 0.005 0.000 2.084 232 N HA -0.142 4.599 4.740 0.001 0.000 0.190 232 N C 1.713 177.225 175.510 0.005 0.000 1.030 232 N CA 1.435 54.487 53.050 0.004 0.000 0.849 232 N CB -0.452 38.037 38.487 0.004 0.000 1.012 232 N HN 0.255 nan 8.380 nan 0.000 0.423 233 A N 1.229 124.052 122.820 0.005 0.000 1.883 233 A HA -0.114 4.206 4.320 0.001 0.000 0.217 233 A C 2.280 179.867 177.584 0.006 0.000 1.186 233 A CA 1.159 53.200 52.037 0.005 0.000 0.624 233 A CB -0.863 18.141 19.000 0.007 0.000 0.822 233 A HN 0.246 nan 8.150 nan 0.000 0.444 234 L N -0.053 121.176 121.223 0.010 0.000 2.042 234 L HA -0.121 4.219 4.340 0.001 0.000 0.210 234 L C 2.361 179.234 176.870 0.004 0.000 1.076 234 L CA 1.935 56.784 54.840 0.014 0.000 0.749 234 L CB -0.456 41.624 42.059 0.035 0.000 0.893 234 L HN 0.152 nan 8.230 nan 0.000 0.432 235 V N -0.527 119.390 119.914 0.005 0.000 2.490 235 V HA -0.254 3.867 4.120 0.001 0.000 0.250 235 V C 2.414 178.506 176.094 -0.003 0.000 1.061 235 V CA 1.621 63.921 62.300 0.001 0.000 1.064 235 V CB -0.584 31.241 31.823 0.003 0.000 0.670 235 V HN 0.528 nan 8.190 nan 0.000 0.461 236 L N -0.247 120.975 121.223 -0.002 0.000 1.988 236 L HA -0.097 4.243 4.340 0.001 0.000 0.207 236 L C 2.221 179.086 176.870 -0.008 0.000 1.071 236 L CA 1.873 56.712 54.840 -0.003 0.000 0.744 236 L CB -0.529 41.529 42.059 -0.000 0.000 0.893 236 L HN 0.178 nan 8.230 nan 0.000 0.433 237 L N -0.797 120.420 121.223 -0.011 0.000 2.081 237 L HA -0.270 4.070 4.340 0.001 0.000 0.212 237 L C 2.512 179.363 176.870 -0.032 0.000 1.080 237 L CA 1.324 56.151 54.840 -0.021 0.000 0.754 237 L CB -0.672 41.373 42.059 -0.024 0.000 0.893 237 L HN 0.352 nan 8.230 nan 0.000 0.433 238 L N -0.433 120.773 121.223 -0.030 0.000 2.201 238 L HA -0.071 4.269 4.340 0.001 0.000 0.212 238 L C 1.800 178.655 176.870 -0.026 0.000 1.105 238 L CA 0.854 55.672 54.840 -0.036 0.000 0.775 238 L CB -1.014 41.028 42.059 -0.029 0.000 0.913 238 L HN 0.554 nan 8.230 nan 0.000 0.440 239 G N 0.459 109.249 108.800 -0.016 0.000 2.166 239 G HA2 -0.336 3.624 3.960 0.001 0.000 0.260 239 G HA3 -0.336 3.624 3.960 0.001 0.000 0.260 239 G C 0.318 175.214 174.900 -0.006 0.000 0.986 239 G CA 0.612 45.706 45.100 -0.009 0.000 0.683 239 G HN 0.603 nan 8.290 nan 0.000 0.527 240 S N -2.156 113.539 115.700 -0.007 0.000 2.661 240 S HA 0.758 5.229 4.470 0.001 0.000 0.268 240 S C 0.396 174.994 174.600 -0.004 0.000 1.162 240 S CA 0.454 58.652 58.200 -0.004 0.000 0.817 240 S CB 0.926 64.124 63.200 -0.004 0.000 1.141 240 S HN 1.777 nan 8.310 nan 0.000 0.477 241 G N 0.111 108.911 108.800 -0.001 0.000 2.636 241 G HA2 0.484 4.444 3.960 0.001 0.000 0.246 241 G HA3 0.484 4.444 3.960 0.001 0.000 0.246 241 G C -0.165 174.736 174.900 0.001 0.000 1.216 241 G CA -0.821 44.280 45.100 0.001 0.000 0.854 241 G HN 0.803 nan 8.290 nan 0.000 0.572 242 I N 2.174 122.746 120.570 0.004 0.000 2.587 242 I HA 0.068 4.239 4.170 0.001 0.000 0.284 242 I C -1.455 174.666 176.117 0.007 0.000 1.134 242 I CA -1.114 60.191 61.300 0.008 0.000 1.410 242 I CB 0.784 38.793 38.000 0.016 0.000 1.392 242 I HN 0.275 nan 8.210 nan 0.000 0.545 243 P HA 0.043 nan 4.420 nan 0.000 0.269 243 P C 0.057 177.361 177.300 0.007 0.000 1.217 243 P CA -0.247 62.855 63.100 0.004 0.000 0.783 243 P CB 0.724 32.425 31.700 0.001 0.000 0.898 244 A N 1.444 124.267 122.820 0.006 0.000 2.308 244 A HA 0.090 4.410 4.320 0.001 0.000 0.217 244 A C 0.677 178.265 177.584 0.007 0.000 1.216 244 A CA 0.382 52.423 52.037 0.006 0.000 0.864 244 A CB -0.438 18.565 19.000 0.005 0.000 0.902 244 A HN 0.507 nan 8.150 nan 0.000 0.499 245 N N 0.364 119.068 118.700 0.007 0.000 2.646 245 N HA 0.258 4.999 4.740 0.001 0.000 0.296 245 N C -0.926 174.588 175.510 0.008 0.000 1.886 245 N CA -0.100 52.954 53.050 0.007 0.000 0.855 245 N CB 0.571 39.061 38.487 0.005 0.000 1.336 245 N HN 0.288 nan 8.380 nan 0.000 0.496 246 L N 1.335 122.564 121.223 0.011 0.000 2.483 246 L HA 0.181 4.521 4.340 0.001 0.000 0.276 246 L C -1.409 175.469 176.870 0.013 0.000 1.213 246 L CA -0.894 53.953 54.840 0.013 0.000 0.843 246 L CB -0.160 41.913 42.059 0.024 0.000 1.107 246 L HN -0.015 nan 8.230 nan 0.000 0.487 247 P HA 0.058 nan 4.420 nan 0.000 0.271 247 P C -0.983 176.330 177.300 0.021 0.000 1.244 247 P CA -0.451 62.656 63.100 0.012 0.000 0.793 247 P CB 0.359 32.063 31.700 0.007 0.000 0.984 248 Q N -0.208 119.604 119.800 0.020 0.000 2.327 248 Q HA 0.364 4.705 4.340 0.001 0.000 0.254 248 Q C 0.863 176.888 176.000 0.042 0.000 0.952 248 Q CA -0.134 55.685 55.803 0.027 0.000 0.884 248 Q CB 0.656 29.404 28.738 0.017 0.000 1.224 248 Q HN 0.578 nan 8.270 nan 0.000 0.422 249 G N 1.565 110.404 108.800 0.065 0.000 2.553 249 G HA2 0.455 4.415 3.960 0.001 0.000 0.278 249 G HA3 0.455 4.415 3.960 0.001 0.000 0.278 249 G C -0.601 174.340 174.900 0.068 0.000 1.349 249 G CA -0.579 44.585 45.100 0.107 0.000 1.037 249 G HN 0.469 nan 8.290 nan 0.000 0.508 250 L N -0.273 121.000 121.223 0.084 0.000 2.362 250 L HA 0.543 4.883 4.340 0.001 0.000 0.271 250 L C 0.928 177.809 176.870 0.019 0.000 1.002 250 L CA -1.008 53.857 54.840 0.041 0.000 0.818 250 L CB 2.031 44.114 42.059 0.040 0.000 1.298 250 L HN 0.683 nan 8.230 nan 0.000 0.420 251 G N 1.242 110.038 108.800 -0.006 0.000 2.606 251 G HA2 0.347 4.307 3.960 0.001 0.000 0.252 251 G HA3 0.347 4.307 3.960 0.001 0.000 0.252 251 G C 0.775 175.658 174.900 -0.030 0.000 1.206 251 G CA -0.552 44.530 45.100 -0.029 0.000 0.861 251 G HN 0.663 nan 8.290 nan 0.000 0.561 252 L N 0.424 121.619 121.223 -0.047 0.000 2.362 252 L HA -0.030 4.310 4.340 0.001 0.000 0.219 252 L C 2.408 179.256 176.870 -0.038 0.000 1.134 252 L CA 1.056 55.868 54.840 -0.047 0.000 0.807 252 L CB -0.285 41.736 42.059 -0.064 0.000 0.927 252 L HN 0.690 nan 8.230 nan 0.000 0.447 253 D N -0.560 119.821 120.400 -0.033 0.000 2.178 253 D HA -0.144 4.496 4.640 0.001 0.000 0.202 253 D C 0.990 177.277 176.300 -0.022 0.000 0.974 253 D CA 0.595 54.580 54.000 -0.025 0.000 0.841 253 D CB -0.258 40.529 40.800 -0.022 0.000 0.953 253 D HN 0.402 nan 8.370 nan 0.000 0.478 254 Q N 0.220 120.008 119.800 -0.021 0.000 2.526 254 Q HA 0.239 4.580 4.340 0.001 0.000 0.207 254 Q C -0.174 175.810 176.000 -0.025 0.000 1.078 254 Q CA 0.189 55.981 55.803 -0.019 0.000 1.041 254 Q CB 0.265 28.995 28.738 -0.013 0.000 1.228 254 Q HN -0.020 nan 8.270 nan 0.000 0.603 255 T N 1.315 115.851 114.554 -0.029 0.000 2.743 255 T HA 0.270 4.620 4.350 0.001 0.000 0.293 255 T C 0.835 175.501 174.700 -0.056 0.000 0.945 255 T CA -0.201 61.873 62.100 -0.043 0.000 1.030 255 T CB 0.268 69.110 68.868 -0.043 0.000 0.912 255 T HN 0.374 nan 8.240 nan 0.000 0.483 256 L N 2.940 124.118 121.223 -0.075 0.000 2.537 256 L HA 0.418 4.758 4.340 0.001 0.000 0.224 256 L C 0.108 176.858 176.870 -0.200 0.000 1.065 256 L CA 0.361 55.152 54.840 -0.082 0.000 0.860 256 L CB 0.110 42.150 42.059 -0.031 0.000 1.086 256 L HN 0.364 nan 8.230 nan 0.000 0.482 257 L N -0.461 120.597 121.223 -0.274 0.000 2.381 257 L HA 0.410 4.751 4.340 0.001 0.000 0.268 257 L C -0.313 176.341 176.870 -0.360 0.000 0.997 257 L CA -0.512 54.003 54.840 -0.543 0.000 0.818 257 L CB 2.189 43.902 42.059 -0.576 0.000 1.310 257 L HN -0.186 nan 8.230 nan 0.000 0.416 258 T N 0.865 115.174 114.554 -0.407 0.000 2.901 258 T HA 0.048 4.399 4.350 0.001 0.000 0.301 258 T C 0.078 174.789 174.700 0.018 0.000 1.012 258 T CA -0.083 61.944 62.100 -0.122 0.000 1.135 258 T CB 0.815 69.660 68.868 -0.038 0.000 0.936 258 T HN 0.473 nan 8.240 nan 0.000 0.539 259 E N 2.712 122.929 120.200 0.028 0.000 2.415 259 E HA 0.190 4.540 4.350 0.001 0.000 0.260 259 E C -0.869 175.789 176.600 0.097 0.000 1.016 259 E CA -0.016 56.423 56.400 0.065 0.000 0.924 259 E CB 0.238 29.960 29.700 0.037 0.000 0.961 259 E HN 0.287 nan 8.360 nan 0.000 0.459 260 V N 7.613 127.601 119.914 0.122 0.000 2.483 260 V HA 0.485 4.606 4.120 0.001 0.000 0.295 260 V C -2.027 174.103 176.094 0.060 0.000 1.035 260 V CA -1.777 60.580 62.300 0.096 0.000 0.896 260 V CB 1.769 33.642 31.823 0.084 0.000 0.986 260 V HN 0.815 nan 8.190 nan 0.000 0.447 261 P HA 0.369 nan 4.420 nan 0.000 0.286 261 P C 0.312 177.631 177.300 0.031 0.000 1.261 261 P CA -0.453 62.671 63.100 0.039 0.000 0.821 261 P CB 1.600 33.324 31.700 0.040 0.000 1.013 262 A N 2.789 125.628 122.820 0.031 0.000 1.892 262 A HA 0.168 4.488 4.320 0.001 0.000 0.218 262 A C 1.298 178.949 177.584 0.112 0.000 1.188 262 A CA 2.005 54.060 52.037 0.031 0.000 0.631 262 A CB -1.749 17.280 19.000 0.048 0.000 0.822 262 A HN 0.933 nan 8.150 nan 0.000 0.447 263 G N -2.152 106.712 108.800 0.107 0.000 2.698 263 G HA2 -0.138 3.822 3.960 0.001 0.000 0.233 263 G HA3 -0.138 3.822 3.960 0.001 0.000 0.233 263 G C -0.342 174.642 174.900 0.140 0.000 1.352 263 G CA -0.091 45.072 45.100 0.105 0.000 0.879 263 G HN 0.903 nan 8.290 nan 0.000 0.567 264 L N 1.060 122.315 121.223 0.053 0.000 2.334 264 L HA 0.410 4.751 4.340 0.001 0.000 0.273 264 L C -1.142 175.625 176.870 -0.172 0.000 1.013 264 L CA -1.999 52.791 54.840 -0.083 0.000 0.816 264 L CB 2.193 44.209 42.059 -0.072 0.000 1.278 264 L HN 0.372 nan 8.230 nan 0.000 0.431 265 P HA -0.285 nan 4.420 nan 0.000 0.219 265 P C 1.633 178.884 177.300 -0.082 0.000 1.158 265 P CA 1.934 64.820 63.100 -0.357 0.000 0.895 265 P CB 0.066 31.595 31.700 -0.284 0.000 0.792 266 S N -1.312 114.341 115.700 -0.078 0.000 2.440 266 S HA -0.209 4.261 4.470 0.001 0.000 0.238 266 S C 1.606 176.202 174.600 -0.008 0.000 1.010 266 S CA 1.584 59.764 58.200 -0.032 0.000 0.972 266 S CB -1.229 61.951 63.200 -0.033 0.000 0.774 266 S HN 0.126 nan 8.310 nan 0.000 0.501 267 D N 1.750 122.149 120.400 -0.001 0.000 2.264 267 D HA 0.026 4.667 4.640 0.001 0.000 0.208 267 D C 1.823 178.134 176.300 0.019 0.000 0.966 267 D CA 0.744 54.753 54.000 0.015 0.000 0.864 267 D CB -0.343 40.472 40.800 0.025 0.000 0.933 267 D HN 0.444 nan 8.370 nan 0.000 0.499 268 L N 0.323 121.560 121.223 0.024 0.000 2.083 268 L HA -0.130 4.211 4.340 0.001 0.000 0.209 268 L C 2.433 179.308 176.870 0.009 0.000 1.083 268 L CA 0.673 55.524 54.840 0.019 0.000 0.752 268 L CB -0.324 41.756 42.059 0.034 0.000 0.899 268 L HN 0.048 nan 8.230 nan 0.000 0.433 269 L N -0.931 120.300 121.223 0.014 0.000 2.217 269 L HA -0.129 4.212 4.340 0.001 0.000 0.211 269 L C 2.294 179.196 176.870 0.054 0.000 1.107 269 L CA 0.801 55.665 54.840 0.040 0.000 0.783 269 L CB -0.495 41.597 42.059 0.055 0.000 0.919 269 L HN 0.392 nan 8.230 nan 0.000 0.442 270 Q N -0.574 119.246 119.800 0.033 0.000 2.384 270 Q HA 0.082 4.422 4.340 0.001 0.000 0.207 270 Q C 1.664 177.677 176.000 0.021 0.000 0.904 270 Q CA 0.447 56.267 55.803 0.029 0.000 0.933 270 Q CB 0.793 29.545 28.738 0.024 0.000 1.077 270 Q HN 0.408 nan 8.270 nan 0.000 0.522 271 R N -0.686 119.822 120.500 0.013 0.000 2.573 271 R HA 0.188 4.528 4.340 0.001 0.000 0.224 271 R C 0.600 176.889 176.300 -0.018 0.000 0.904 271 R CA -0.149 55.952 56.100 0.002 0.000 0.995 271 R CB 0.690 30.991 30.300 0.003 0.000 1.430 271 R HN -0.034 nan 8.270 nan 0.000 0.631 272 R N 3.025 123.513 120.500 -0.019 0.000 2.316 272 R HA 0.125 4.466 4.340 0.001 0.000 0.314 272 R C -1.828 174.449 176.300 -0.039 0.000 1.069 272 R CA -1.532 54.546 56.100 -0.036 0.000 0.959 272 R CB 0.928 31.208 30.300 -0.032 0.000 0.987 272 R HN -0.177 nan 8.270 nan 0.000 0.446 273 P HA -0.177 nan 4.420 nan 0.000 0.215 273 P C 0.407 177.668 177.300 -0.064 0.000 1.153 273 P CA 1.286 64.330 63.100 -0.094 0.000 0.853 273 P CB 0.105 31.710 31.700 -0.157 0.000 0.788 274 D N -0.766 119.602 120.400 -0.052 0.000 2.348 274 D HA -0.083 4.557 4.640 0.001 0.000 0.216 274 D C 1.782 178.082 176.300 -0.001 0.000 0.970 274 D CA 0.720 54.700 54.000 -0.033 0.000 0.889 274 D CB -0.567 40.212 40.800 -0.034 0.000 0.912 274 D HN 0.243 nan 8.370 nan 0.000 0.524 275 I N 0.396 120.967 120.570 0.003 0.000 2.400 275 I HA -0.145 4.025 4.170 0.001 0.000 0.248 275 I C 2.574 178.780 176.117 0.149 0.000 1.109 275 I CA 0.363 61.684 61.300 0.034 0.000 1.425 275 I CB -0.007 37.974 38.000 -0.030 0.000 1.094 275 I HN -0.092 nan 8.210 nan 0.000 0.425 276 L N 0.399 121.672 121.223 0.083 0.000 2.046 276 L HA -0.222 4.118 4.340 0.001 0.000 0.208 276 L C 2.574 179.502 176.870 0.096 0.000 1.077 276 L CA 1.393 56.274 54.840 0.069 0.000 0.747 276 L CB -0.630 41.460 42.059 0.052 0.000 0.896 276 L HN 0.302 nan 8.230 nan 0.000 0.432 277 E N 0.562 120.803 120.200 0.069 0.000 2.048 277 E HA -0.333 4.018 4.350 0.001 0.000 0.202 277 E C 2.183 178.816 176.600 0.055 0.000 1.021 277 E CA 1.753 58.177 56.400 0.040 0.000 0.825 277 E CB -0.078 29.604 29.700 -0.030 0.000 0.756 277 E HN 0.466 nan 8.360 nan 0.000 0.454 278 A N 0.912 123.784 122.820 0.087 0.000 1.940 278 A HA -0.259 4.062 4.320 0.001 0.000 0.219 278 A C 2.065 179.703 177.584 0.090 0.000 1.176 278 A CA 1.800 53.915 52.037 0.130 0.000 0.631 278 A CB -0.637 18.489 19.000 0.209 0.000 0.814 278 A HN 0.456 nan 8.150 nan 0.000 0.446 279 E N -1.084 119.142 120.200 0.043 0.000 2.058 279 E HA -0.241 4.110 4.350 0.001 0.000 0.194 279 E C 1.931 178.303 176.600 -0.380 0.000 0.997 279 E CA 1.225 57.411 56.400 -0.357 0.000 0.801 279 E CB -0.223 29.259 29.700 -0.363 0.000 0.746 279 E HN 0.763 nan 8.360 nan 0.000 0.450 280 H N 0.136 119.111 119.070 -0.159 0.000 2.319 280 H HA -0.103 4.453 4.556 0.001 0.000 0.299 280 H C 2.306 177.534 175.328 -0.165 0.000 1.092 280 H CA 1.228 57.170 56.048 -0.176 0.000 1.302 280 H CB -0.042 29.631 29.762 -0.149 0.000 1.373 280 H HN 0.214 nan 8.280 nan 0.000 0.497 281 Q N 0.485 120.277 119.800 -0.013 0.000 2.096 281 Q HA -0.129 4.211 4.340 0.001 0.000 0.204 281 Q C 2.629 178.582 176.000 -0.078 0.000 0.982 281 Q CA 0.729 56.512 55.803 -0.033 0.000 0.850 281 Q CB -0.733 27.996 28.738 -0.015 0.000 0.901 281 Q HN 0.315 nan 8.270 nan 0.000 0.422 282 L N 0.114 121.256 121.223 -0.136 0.000 2.017 282 L HA -0.135 4.205 4.340 0.001 0.000 0.208 282 L C 2.174 178.886 176.870 -0.264 0.000 1.073 282 L CA 1.748 56.479 54.840 -0.182 0.000 0.745 282 L CB -0.550 41.367 42.059 -0.237 0.000 0.894 282 L HN 0.163 nan 8.230 nan 0.000 0.432 283 M N -1.043 118.312 119.600 -0.409 0.000 2.279 283 M HA -0.132 4.349 4.480 0.001 0.000 0.264 283 M C 2.132 178.313 176.300 -0.199 0.000 1.062 283 M CA 1.506 56.533 55.300 -0.454 0.000 1.099 283 M CB -0.386 31.893 32.600 -0.536 0.000 1.394 283 M HN 0.464 nan 8.290 nan 0.000 0.426 284 A N 0.146 122.898 122.820 -0.113 0.000 1.874 284 A HA 0.060 4.380 4.320 0.001 0.000 0.214 284 A C 2.363 179.929 177.584 -0.031 0.000 1.189 284 A CA 1.486 53.502 52.037 -0.035 0.000 0.615 284 A CB -0.963 18.041 19.000 0.008 0.000 0.830 284 A HN 0.441 nan 8.150 nan 0.000 0.443 285 A N 0.594 123.386 122.820 -0.046 0.000 1.917 285 A HA -0.303 4.018 4.320 0.001 0.000 0.219 285 A C 1.956 179.518 177.584 -0.037 0.000 1.182 285 A CA 2.427 54.442 52.037 -0.036 0.000 0.633 285 A CB -0.909 18.062 19.000 -0.049 0.000 0.819 285 A HN 0.679 nan 8.150 nan 0.000 0.448 286 N N -0.153 118.507 118.700 -0.067 0.000 2.142 286 N HA -0.036 4.705 4.740 0.001 0.000 0.186 286 N C 1.719 177.212 175.510 -0.028 0.000 1.023 286 N CA 1.840 54.860 53.050 -0.051 0.000 0.852 286 N CB -0.362 38.074 38.487 -0.086 0.000 0.998 286 N HN 0.353 nan 8.380 nan 0.000 0.424 287 A N -0.071 122.729 122.820 -0.033 0.000 1.972 287 A HA -0.137 4.184 4.320 0.001 0.000 0.219 287 A C 2.258 179.850 177.584 0.014 0.000 1.169 287 A CA 1.940 53.974 52.037 -0.005 0.000 0.635 287 A CB -1.147 17.855 19.000 0.003 0.000 0.810 287 A HN 0.550 nan 8.150 nan 0.000 0.446 288 S N -0.204 115.507 115.700 0.020 0.000 2.474 288 S HA -0.077 4.393 4.470 0.001 0.000 0.235 288 S C 1.753 176.379 174.600 0.042 0.000 0.997 288 S CA 1.159 59.383 58.200 0.041 0.000 0.949 288 S CB -0.739 62.494 63.200 0.055 0.000 0.766 288 S HN 0.481 nan 8.310 nan 0.000 0.517 289 I N 2.282 122.867 120.570 0.024 0.000 2.179 289 I HA -0.042 4.129 4.170 0.001 0.000 0.242 289 I C 2.980 179.110 176.117 0.022 0.000 1.088 289 I CA 1.071 62.384 61.300 0.022 0.000 1.357 289 I CB -1.249 36.754 38.000 0.006 0.000 1.051 289 I HN 0.462 nan 8.210 nan 0.000 0.409 290 G N 0.923 109.731 108.800 0.014 0.000 2.649 290 G HA2 -0.401 3.560 3.960 0.001 0.000 0.220 290 G HA3 -0.401 3.560 3.960 0.001 0.000 0.220 290 G C 1.832 176.751 174.900 0.031 0.000 1.189 290 G CA 1.416 46.523 45.100 0.011 0.000 0.777 290 G HN 0.526 nan 8.290 nan 0.000 0.602 291 A N 1.084 123.930 122.820 0.044 0.000 1.884 291 A HA 0.094 4.415 4.320 0.001 0.000 0.219 291 A C 2.885 180.521 177.584 0.087 0.000 1.197 291 A CA 3.130 55.204 52.037 0.062 0.000 0.637 291 A CB -1.061 17.976 19.000 0.062 0.000 0.827 291 A HN 1.187 nan 8.150 nan 0.000 0.450 292 A N -0.966 121.908 122.820 0.090 0.000 1.969 292 A HA -0.111 4.210 4.320 0.001 0.000 0.218 292 A C 2.228 179.900 177.584 0.146 0.000 1.169 292 A CA 1.475 53.587 52.037 0.124 0.000 0.635 292 A CB -0.415 18.657 19.000 0.121 0.000 0.810 292 A HN 0.562 nan 8.150 nan 0.000 0.445 293 R N -0.595 119.951 120.500 0.076 0.000 2.075 293 R HA -0.047 4.293 4.340 0.001 0.000 0.232 293 R C 2.415 178.847 176.300 0.220 0.000 1.126 293 R CA 1.138 57.260 56.100 0.037 0.000 0.963 293 R CB -0.401 29.899 30.300 -0.001 0.000 0.858 293 R HN 0.493 nan 8.270 nan 0.000 0.435 294 A N 1.010 123.939 122.820 0.181 0.000 2.019 294 A HA -0.089 4.231 4.320 0.001 0.000 0.219 294 A C 2.245 180.009 177.584 0.299 0.000 1.164 294 A CA 1.510 53.682 52.037 0.225 0.000 0.644 294 A CB -0.481 18.597 19.000 0.130 0.000 0.805 294 A HN 0.403 nan 8.150 nan 0.000 0.449 295 A N -1.369 121.619 122.820 0.280 0.000 2.125 295 A HA 0.057 4.377 4.320 0.001 0.000 0.219 295 A C 1.758 179.476 177.584 0.222 0.000 1.156 295 A CA 1.279 53.447 52.037 0.220 0.000 0.671 295 A CB -0.621 18.483 19.000 0.175 0.000 0.794 295 A HN 0.447 nan 8.150 nan 0.000 0.459 296 F N -1.044 118.916 119.950 0.017 0.000 2.118 296 F HA 0.192 4.719 4.527 0.001 0.000 0.293 296 F C 0.863 176.518 175.800 -0.243 0.000 1.102 296 F CA -0.187 57.721 58.000 -0.153 0.000 1.247 296 F CB -0.817 38.006 39.000 -0.294 0.000 1.017 296 F HN 0.093 nan 8.300 nan 0.000 0.475 297 F N 1.091 121.018 119.950 -0.039 0.000 2.539 297 F HA 0.183 4.710 4.527 0.001 0.000 0.340 297 F C -1.656 174.019 175.800 -0.209 0.000 1.185 297 F CA -2.180 55.607 58.000 -0.356 0.000 1.333 297 F CB -0.840 37.631 39.000 -0.883 0.000 1.152 297 F HN -0.231 nan 8.300 nan 0.000 0.602 298 P HA 0.037 nan 4.420 nan 0.000 0.269 298 P C -0.869 176.543 177.300 0.188 0.000 1.217 298 P CA -0.156 62.998 63.100 0.091 0.000 0.783 298 P CB 0.693 32.483 31.700 0.150 0.000 0.898 299 S N 1.776 117.545 115.700 0.114 0.000 2.524 299 S HA 0.391 4.861 4.470 0.001 0.000 0.227 299 S C -0.272 174.341 174.600 0.020 0.000 1.304 299 S CA -0.765 57.484 58.200 0.081 0.000 1.185 299 S CB -0.832 62.398 63.200 0.050 0.000 1.104 299 S HN 0.198 nan 8.310 nan 0.000 0.475 300 I N 3.169 123.737 120.570 -0.004 0.000 2.752 300 I HA 0.321 4.491 4.170 0.001 0.000 0.287 300 I C 0.710 176.749 176.117 -0.129 0.000 1.188 300 I CA 0.091 61.345 61.300 -0.076 0.000 1.427 300 I CB 0.797 38.723 38.000 -0.123 0.000 1.365 300 I HN 0.568 nan 8.210 nan 0.000 0.585 301 S N 5.772 121.392 115.700 -0.134 0.000 2.579 301 S HA 0.798 5.268 4.470 0.001 0.000 0.272 301 S C -1.486 173.032 174.600 -0.136 0.000 1.141 301 S CA -0.686 57.434 58.200 -0.134 0.000 0.843 301 S CB 1.736 64.895 63.200 -0.068 0.000 1.122 301 S HN 0.506 nan 8.310 nan 0.000 0.468 302 L N 2.746 123.919 121.223 -0.082 0.000 2.562 302 L HA 0.650 4.990 4.340 0.001 0.000 0.266 302 L C -1.046 175.855 176.870 0.051 0.000 0.949 302 L CA 0.235 55.039 54.840 -0.061 0.000 0.879 302 L CB 1.963 43.992 42.059 -0.050 0.000 1.278 302 L HN 0.753 nan 8.230 nan 0.000 0.404 303 T N 3.743 118.285 114.554 -0.019 0.000 2.797 303 T HA 0.932 5.282 4.350 0.001 0.000 0.279 303 T C -0.511 174.209 174.700 0.033 0.000 0.991 303 T CA -0.204 61.916 62.100 0.034 0.000 0.979 303 T CB 1.557 70.440 68.868 0.025 0.000 0.943 303 T HN 0.837 nan 8.240 nan 0.000 0.444 304 A N 3.445 126.328 122.820 0.106 0.000 2.449 304 A HA 0.854 5.174 4.320 0.001 0.000 0.302 304 A C -0.796 176.890 177.584 0.170 0.000 1.048 304 A CA -0.791 51.352 52.037 0.176 0.000 0.708 304 A CB 1.436 20.567 19.000 0.219 0.000 1.274 304 A HN 0.648 nan 8.150 nan 0.000 0.410 305 N N -0.860 117.975 118.700 0.226 0.000 2.571 305 N HA 0.899 5.640 4.740 0.001 0.000 0.273 305 N C -1.181 174.473 175.510 0.241 0.000 1.340 305 N CA 0.377 53.554 53.050 0.212 0.000 0.789 305 N CB 2.262 40.880 38.487 0.219 0.000 1.514 305 N HN 1.387 nan 8.380 nan 0.000 0.499 306 A N -0.504 122.441 122.820 0.208 0.000 2.573 306 A HA 0.767 5.087 4.320 0.001 0.000 0.299 306 A C -0.435 177.255 177.584 0.175 0.000 1.060 306 A CA 0.153 52.322 52.037 0.221 0.000 0.736 306 A CB 0.648 19.734 19.000 0.143 0.000 1.280 306 A HN 0.922 nan 8.150 nan 0.000 0.401 307 G N -0.144 108.765 108.800 0.183 0.000 2.392 307 G HA2 0.742 4.702 3.960 0.001 0.000 0.260 307 G HA3 0.742 4.702 3.960 0.001 0.000 0.260 307 G C -0.612 174.369 174.900 0.136 0.000 1.226 307 G CA 0.643 45.837 45.100 0.157 0.000 0.913 307 G HN 2.077 nan 8.290 nan 0.000 0.483 308 T N -1.627 112.974 114.554 0.079 0.000 2.890 308 T HA 0.719 5.069 4.350 0.001 0.000 0.295 308 T C -0.247 174.415 174.700 -0.064 0.000 0.993 308 T CA -0.439 61.662 62.100 0.001 0.000 0.979 308 T CB 1.308 70.141 68.868 -0.060 0.000 0.967 308 T HN 0.545 nan 8.240 nan 0.000 0.441 309 M N 2.541 122.119 119.600 -0.036 0.000 2.654 309 M HA 0.761 5.242 4.480 0.001 0.000 0.310 309 M C 0.095 176.377 176.300 -0.031 0.000 1.211 309 M CA -0.713 54.570 55.300 -0.028 0.000 0.947 309 M CB 2.211 34.801 32.600 -0.018 0.000 1.647 309 M HN 0.840 nan 8.290 nan 0.000 0.481 310 S N -0.697 115.007 115.700 0.007 0.000 2.611 310 S HA 0.454 4.925 4.470 0.001 0.000 0.268 310 S C -0.264 174.386 174.600 0.083 0.000 1.156 310 S CA -0.672 57.532 58.200 0.007 0.000 0.817 310 S CB 1.695 64.862 63.200 -0.055 0.000 1.122 310 S HN 0.785 nan 8.310 nan 0.000 0.466 311 R N 0.978 121.512 120.500 0.056 0.000 2.161 311 R HA 0.327 4.668 4.340 0.001 0.000 0.213 311 R C 0.203 176.597 176.300 0.156 0.000 1.055 311 R CA 1.375 57.534 56.100 0.099 0.000 0.996 311 R CB -0.013 30.311 30.300 0.041 0.000 0.901 311 R HN 0.687 nan 8.270 nan 0.000 0.456 312 Q N -0.832 118.954 119.800 -0.024 0.000 2.413 312 Q HA 0.209 4.549 4.340 0.001 0.000 0.276 312 Q C 0.022 175.647 176.000 -0.624 0.000 1.099 312 Q CA -0.576 55.051 55.803 -0.293 0.000 0.814 312 Q CB 1.842 30.473 28.738 -0.179 0.000 1.379 312 Q HN 0.035 nan 8.270 nan 0.000 0.436 313 L N 1.659 122.210 121.223 -1.120 0.000 2.081 313 L HA -0.236 4.104 4.340 0.001 0.000 0.212 313 L C 2.022 178.667 176.870 -0.375 0.000 1.080 313 L CA 2.766 57.119 54.840 -0.811 0.000 0.754 313 L CB -0.542 41.132 42.059 -0.642 0.000 0.893 313 L HN 0.853 nan 8.230 nan 0.000 0.433 314 S N -1.345 114.188 115.700 -0.278 0.000 2.469 314 S HA -0.041 4.430 4.470 0.001 0.000 0.238 314 S C 1.745 176.274 174.600 -0.119 0.000 0.998 314 S CA 0.704 58.811 58.200 -0.154 0.000 0.957 314 S CB -1.055 62.077 63.200 -0.113 0.000 0.764 314 S HN 0.553 nan 8.310 nan 0.000 0.514 315 G N 0.232 108.947 108.800 -0.143 0.000 3.126 315 G HA2 0.386 4.347 3.960 0.001 0.000 0.224 315 G HA3 0.386 4.347 3.960 0.001 0.000 0.224 315 G C 1.025 175.855 174.900 -0.117 0.000 1.142 315 G CA -0.217 44.825 45.100 -0.097 0.000 0.759 315 G HN 0.438 nan 8.290 nan 0.000 0.550 316 L N -0.469 120.632 121.223 -0.203 0.000 1.955 316 L HA 0.048 4.388 4.340 0.001 0.000 0.213 316 L C 1.328 177.973 176.870 -0.375 0.000 1.072 316 L CA 1.218 55.839 54.840 -0.365 0.000 0.755 316 L CB -0.268 41.444 42.059 -0.579 0.000 0.888 316 L HN 0.200 nan 8.230 nan 0.000 0.432 317 F N -0.360 119.586 119.950 -0.006 0.000 2.894 317 F HA 0.175 4.703 4.527 0.001 0.000 0.310 317 F C 0.403 176.202 175.800 -0.002 0.000 1.204 317 F CA -0.529 57.472 58.000 0.001 0.000 1.290 317 F CB 0.052 39.053 39.000 0.002 0.000 1.317 317 F HN 0.054 nan 8.300 nan 0.000 0.545 318 D N 0.992 121.458 120.400 0.110 0.000 2.252 318 D HA 0.464 5.104 4.640 0.001 0.000 0.245 318 D C -0.270 176.070 176.300 0.067 0.000 1.009 318 D CA -0.393 53.649 54.000 0.070 0.000 0.870 318 D CB 2.230 43.044 40.800 0.024 0.000 1.251 318 D HN 0.224 nan 8.370 nan 0.000 0.460 319 A N 0.913 123.766 122.820 0.056 0.000 2.586 319 A HA 0.369 4.690 4.320 0.001 0.000 0.231 319 A C 1.327 178.936 177.584 0.041 0.000 1.055 319 A CA 0.918 52.985 52.037 0.050 0.000 0.756 319 A CB -0.343 18.679 19.000 0.037 0.000 0.988 319 A HN 0.975 nan 8.150 nan 0.000 0.509 320 G N 0.939 109.767 108.800 0.045 0.000 2.258 320 G HA2 -0.253 3.707 3.960 0.001 0.000 0.274 320 G HA3 -0.253 3.707 3.960 0.001 0.000 0.274 320 G C 0.817 175.732 174.900 0.024 0.000 1.021 320 G CA 1.324 46.445 45.100 0.036 0.000 0.798 320 G HN 2.164 nan 8.290 nan 0.000 0.507 321 S N -0.783 114.935 115.700 0.029 0.000 2.577 321 S HA 0.498 4.968 4.470 0.001 0.000 0.219 321 S C 1.486 176.096 174.600 0.017 0.000 0.962 321 S CA 0.619 58.824 58.200 0.008 0.000 0.921 321 S CB 0.546 63.740 63.200 -0.009 0.000 0.789 321 S HN 1.611 nan 8.310 nan 0.000 0.497 322 G N 1.895 110.724 108.800 0.049 0.000 2.349 322 G HA2 0.370 4.330 3.960 0.001 0.000 0.232 322 G HA3 0.370 4.330 3.960 0.001 0.000 0.232 322 G C -0.139 174.781 174.900 0.033 0.000 1.240 322 G CA 0.342 45.489 45.100 0.078 0.000 0.870 322 G HN 0.808 nan 8.290 nan 0.000 0.528 323 S N 2.024 117.760 115.700 0.060 0.000 2.564 323 S HA 0.852 5.323 4.470 0.001 0.000 0.274 323 S C -0.768 173.908 174.600 0.127 0.000 1.124 323 S CA -0.992 57.194 58.200 -0.024 0.000 0.869 323 S CB 2.064 65.253 63.200 -0.019 0.000 1.105 323 S HN 1.319 nan 8.310 nan 0.000 0.472 324 W N 0.448 121.778 121.300 0.050 0.000 3.005 324 W HA 0.787 5.448 4.660 0.001 0.000 0.343 324 W C -2.799 173.767 176.519 0.080 0.000 1.243 324 W CA -1.006 56.379 57.345 0.066 0.000 1.186 324 W CB 1.051 30.552 29.460 0.067 0.000 1.453 324 W HN 0.847 nan 8.180 nan 0.000 0.575 325 L N 2.173 123.767 121.223 0.619 0.000 2.472 325 L HA 0.822 5.163 4.340 0.001 0.000 0.260 325 L C -2.166 175.036 176.870 0.554 0.000 0.963 325 L CA -0.885 54.232 54.840 0.460 0.000 0.829 325 L CB 2.323 44.515 42.059 0.222 0.000 1.348 325 L HN 0.413 nan 8.230 nan 0.000 0.408 326 F N 3.982 124.128 119.950 0.326 0.000 2.585 326 F HA 0.587 5.115 4.527 0.001 0.000 0.319 326 F C -1.078 174.816 175.800 0.156 0.000 1.165 326 F CA 0.008 58.134 58.000 0.211 0.000 0.949 326 F CB 1.405 40.512 39.000 0.179 0.000 1.218 326 F HN 0.626 nan 8.300 nan 0.000 0.453 327 Q N 8.733 128.263 119.800 -0.451 0.000 3.258 327 Q HA 0.323 4.663 4.340 0.001 0.000 0.214 327 Q C -2.889 172.911 176.000 -0.332 0.000 0.873 327 Q CA -1.922 53.722 55.803 -0.265 0.000 0.752 327 Q CB 1.954 30.648 28.738 -0.074 0.000 1.396 327 Q HN 0.353 nan 8.270 nan 0.000 0.463 328 P HA 0.173 nan 4.420 nan 0.000 0.274 328 P C -0.724 176.509 177.300 -0.112 0.000 1.246 328 P CA -0.267 62.695 63.100 -0.231 0.000 0.795 328 P CB 1.114 32.714 31.700 -0.166 0.000 1.006 329 S N 0.335 115.984 115.700 -0.085 0.000 2.606 329 S HA 0.198 4.668 4.470 0.001 0.000 0.156 329 S C 0.206 174.786 174.600 -0.034 0.000 1.308 329 S CA -0.509 57.662 58.200 -0.049 0.000 1.228 329 S CB -0.572 62.601 63.200 -0.044 0.000 1.568 329 S HN 0.500 nan 8.310 nan 0.000 0.397 330 I N 2.933 123.491 120.570 -0.021 0.000 2.752 330 I HA 0.106 4.277 4.170 0.001 0.000 0.289 330 I C -0.343 175.777 176.117 0.005 0.000 1.197 330 I CA 0.642 61.942 61.300 -0.001 0.000 1.432 330 I CB 0.294 38.305 38.000 0.017 0.000 1.359 330 I HN 0.366 nan 8.210 nan 0.000 0.571 331 N N 7.815 126.522 118.700 0.011 0.000 2.461 331 N HA 0.270 5.011 4.740 0.001 0.000 0.284 331 N C -1.827 173.686 175.510 0.005 0.000 1.049 331 N CA -0.635 52.418 53.050 0.004 0.000 0.889 331 N CB 1.691 40.175 38.487 -0.004 0.000 1.365 331 N HN 0.570 nan 8.380 nan 0.000 0.499 332 L N 5.271 126.490 121.223 -0.008 0.000 2.295 332 L HA 0.678 5.018 4.340 0.001 0.000 0.281 332 L C -2.370 174.469 176.870 -0.051 0.000 1.018 332 L CA -1.542 53.279 54.840 -0.030 0.000 0.841 332 L CB 0.893 42.934 42.059 -0.031 0.000 1.218 332 L HN 0.435 nan 8.230 nan 0.000 0.424 333 P HA 0.117 nan 4.420 nan 0.000 0.265 333 P C 0.275 177.508 177.300 -0.113 0.000 1.187 333 P CA 0.269 63.304 63.100 -0.107 0.000 0.766 333 P CB 0.728 32.322 31.700 -0.176 0.000 0.820 334 I N 0.244 120.771 120.570 -0.071 0.000 4.046 334 I HA 0.157 4.328 4.170 0.001 0.000 0.285 334 I C 0.257 176.388 176.117 0.023 0.000 1.183 334 I CA 0.369 61.649 61.300 -0.034 0.000 1.337 334 I CB 0.230 38.233 38.000 0.004 0.000 1.478 334 I HN 0.194 nan 8.210 nan 0.000 0.452 335 F N 2.711 122.594 119.950 -0.111 0.000 2.500 335 F HA 0.501 5.028 4.527 0.001 0.000 0.349 335 F C -0.266 175.467 175.800 -0.113 0.000 1.127 335 F CA -0.267 57.670 58.000 -0.104 0.000 0.998 335 F CB 1.143 40.099 39.000 -0.073 0.000 1.237 335 F HN -0.270 nan 8.300 nan 0.000 0.439 336 T N 4.193 118.331 114.554 -0.693 0.000 2.944 336 T HA 0.535 4.886 4.350 0.001 0.000 0.284 336 T C 0.502 174.446 174.700 -1.260 0.000 1.010 336 T CA -0.217 61.436 62.100 -0.745 0.000 1.025 336 T CB 1.735 70.322 68.868 -0.467 0.000 1.079 336 T HN 0.620 nan 8.240 nan 0.000 0.516 337 A N 0.693 122.991 122.820 -0.871 0.000 2.648 337 A HA 0.546 4.866 4.320 0.001 0.000 0.269 337 A C 1.601 178.987 177.584 -0.330 0.000 1.392 337 A CA 0.218 51.876 52.037 -0.630 0.000 1.019 337 A CB -1.391 17.467 19.000 -0.236 0.000 1.009 337 A HN 1.414 nan 8.150 nan 0.000 0.565 338 G N -0.951 107.638 108.800 -0.351 0.000 2.194 338 G HA2 -0.315 3.646 3.960 0.001 0.000 0.236 338 G HA3 -0.315 3.646 3.960 0.001 0.000 0.236 338 G C 1.442 176.250 174.900 -0.154 0.000 0.987 338 G CA 0.936 45.919 45.100 -0.194 0.000 0.635 338 G HN 0.898 nan 8.290 nan 0.000 0.520 339 S N -0.090 115.494 115.700 -0.193 0.000 2.368 339 S HA -0.090 4.381 4.470 0.001 0.000 0.226 339 S C 2.513 177.050 174.600 -0.104 0.000 1.044 339 S CA 1.977 60.094 58.200 -0.138 0.000 1.062 339 S CB -0.278 62.827 63.200 -0.158 0.000 0.931 339 S HN 0.595 nan 8.310 nan 0.000 0.440 340 L N 0.807 121.922 121.223 -0.179 0.000 2.093 340 L HA -0.038 4.303 4.340 0.001 0.000 0.208 340 L C 2.883 179.842 176.870 0.149 0.000 1.085 340 L CA 1.459 56.223 54.840 -0.126 0.000 0.755 340 L CB -0.553 41.189 42.059 -0.528 0.000 0.904 340 L HN 0.338 nan 8.230 nan 0.000 0.435 341 R N 0.558 121.128 120.500 0.117 0.000 2.096 341 R HA -0.163 4.177 4.340 0.001 0.000 0.235 341 R C 2.315 178.698 176.300 0.137 0.000 1.127 341 R CA 1.413 57.658 56.100 0.241 0.000 0.968 341 R CB -0.162 30.226 30.300 0.147 0.000 0.861 341 R HN 0.335 nan 8.270 nan 0.000 0.440 342 A N 0.034 122.896 122.820 0.070 0.000 1.898 342 A HA -0.095 4.225 4.320 0.001 0.000 0.216 342 A C 2.199 179.845 177.584 0.103 0.000 1.181 342 A CA 1.701 53.777 52.037 0.065 0.000 0.620 342 A CB -0.530 18.481 19.000 0.018 0.000 0.819 342 A HN 0.390 nan 8.150 nan 0.000 0.442 343 S N -0.715 115.037 115.700 0.087 0.000 2.400 343 S HA -0.129 4.342 4.470 0.001 0.000 0.232 343 S C 1.790 176.496 174.600 0.176 0.000 1.025 343 S CA 1.469 59.735 58.200 0.109 0.000 0.993 343 S CB -0.299 62.945 63.200 0.074 0.000 0.808 343 S HN 0.468 nan 8.310 nan 0.000 0.478 344 L N 1.641 122.968 121.223 0.172 0.000 2.179 344 L HA 0.039 4.380 4.340 0.001 0.000 0.208 344 L C 1.477 178.408 176.870 0.102 0.000 1.096 344 L CA 1.601 56.520 54.840 0.132 0.000 0.779 344 L CB -0.647 41.473 42.059 0.101 0.000 0.922 344 L HN 0.047 nan 8.230 nan 0.000 0.443 345 D N -1.191 119.276 120.400 0.112 0.000 2.097 345 D HA -0.272 4.368 4.640 0.001 0.000 0.195 345 D C 1.989 178.348 176.300 0.099 0.000 0.989 345 D CA 1.640 55.691 54.000 0.086 0.000 0.827 345 D CB -0.385 40.467 40.800 0.086 0.000 0.966 345 D HN 0.412 nan 8.370 nan 0.000 0.456 346 Y N 1.588 121.903 120.300 0.025 0.000 2.114 346 Y HA -0.294 4.256 4.550 0.001 0.000 0.282 346 Y C 2.270 178.183 175.900 0.021 0.000 1.165 346 Y CA 2.105 60.218 58.100 0.022 0.000 1.148 346 Y CB -0.349 38.125 38.460 0.023 0.000 0.972 346 Y HN -0.031 nan 8.280 nan 0.000 0.504 347 A N -0.176 122.708 122.820 0.107 0.000 1.930 347 A HA -0.141 4.179 4.320 0.001 0.000 0.217 347 A C 2.199 179.757 177.584 -0.044 0.000 1.175 347 A CA 1.686 53.739 52.037 0.027 0.000 0.627 347 A CB -0.468 18.588 19.000 0.093 0.000 0.815 347 A HN 0.508 nan 8.150 nan 0.000 0.443 348 K N -0.451 119.935 120.400 -0.024 0.000 2.057 348 K HA -0.005 4.315 4.320 0.001 0.000 0.206 348 K C 1.765 178.328 176.600 -0.062 0.000 1.050 348 K CA 1.377 57.645 56.287 -0.031 0.000 0.935 348 K CB -0.343 32.149 32.500 -0.012 0.000 0.715 348 K HN 0.488 nan 8.250 nan 0.000 0.439 349 I N 1.465 121.981 120.570 -0.091 0.000 2.163 349 I HA -0.319 3.851 4.170 0.001 0.000 0.243 349 I C 2.476 178.497 176.117 -0.160 0.000 1.085 349 I CA 1.191 62.420 61.300 -0.117 0.000 1.347 349 I CB -0.195 37.726 38.000 -0.131 0.000 1.044 349 I HN 0.192 nan 8.210 nan 0.000 0.408 350 Q N 0.546 120.195 119.800 -0.252 0.000 2.181 350 Q HA -0.255 4.085 4.340 0.001 0.000 0.205 350 Q C 2.129 178.063 176.000 -0.109 0.000 0.980 350 Q CA 1.425 57.096 55.803 -0.221 0.000 0.862 350 Q CB -0.432 28.136 28.738 -0.284 0.000 0.905 350 Q HN 0.518 nan 8.270 nan 0.000 0.429 351 K N 0.599 120.950 120.400 -0.081 0.000 2.057 351 K HA -0.149 4.172 4.320 0.001 0.000 0.206 351 K C 1.378 177.958 176.600 -0.032 0.000 1.050 351 K CA 1.263 57.522 56.287 -0.047 0.000 0.935 351 K CB 0.136 32.617 32.500 -0.030 0.000 0.715 351 K HN 0.070 nan 8.250 nan 0.000 0.439 352 D N 1.071 121.449 120.400 -0.036 0.000 2.097 352 D HA -0.161 4.479 4.640 0.001 0.000 0.195 352 D C 2.041 178.332 176.300 -0.014 0.000 0.989 352 D CA 1.206 55.195 54.000 -0.019 0.000 0.827 352 D CB -0.209 40.578 40.800 -0.022 0.000 0.966 352 D HN 0.277 nan 8.370 nan 0.000 0.456 353 I N 1.446 121.996 120.570 -0.033 0.000 2.145 353 I HA -0.309 3.861 4.170 0.001 0.000 0.244 353 I C 2.098 178.214 176.117 -0.002 0.000 1.075 353 I CA 1.064 62.350 61.300 -0.024 0.000 1.332 353 I CB -0.311 37.662 38.000 -0.046 0.000 1.033 353 I HN 0.036 nan 8.210 nan 0.000 0.410 354 N N 0.257 118.953 118.700 -0.006 0.000 2.331 354 N HA -0.085 4.655 4.740 0.001 0.000 0.180 354 N C 1.950 177.493 175.510 0.055 0.000 1.019 354 N CA 0.942 54.001 53.050 0.015 0.000 0.881 354 N CB 0.104 38.583 38.487 -0.014 0.000 0.972 354 N HN 0.191 nan 8.380 nan 0.000 0.435 355 V N 1.915 121.857 119.914 0.048 0.000 2.287 355 V HA -0.254 3.867 4.120 0.001 0.000 0.248 355 V C 2.498 178.666 176.094 0.123 0.000 1.053 355 V CA 2.080 64.436 62.300 0.093 0.000 1.027 355 V CB -0.779 31.080 31.823 0.061 0.000 0.646 355 V HN 0.294 nan 8.190 nan 0.000 0.447 356 A N -1.092 121.768 122.820 0.067 0.000 1.929 356 A HA -0.232 4.088 4.320 0.001 0.000 0.216 356 A C 2.143 179.757 177.584 0.050 0.000 1.176 356 A CA 1.609 53.674 52.037 0.048 0.000 0.628 356 A CB -0.409 18.604 19.000 0.022 0.000 0.816 356 A HN 0.641 nan 8.150 nan 0.000 0.444 357 Q N -2.038 117.797 119.800 0.060 0.000 2.167 357 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 357 Q C 1.926 177.978 176.000 0.086 0.000 0.970 357 Q CA 1.612 57.448 55.803 0.055 0.000 0.855 357 Q CB -0.327 28.439 28.738 0.048 0.000 0.911 357 Q HN 0.838 nan 8.270 nan 0.000 0.438 358 Y N 1.723 122.019 120.300 -0.007 0.000 2.242 358 Y HA -0.170 4.381 4.550 0.001 0.000 0.291 358 Y C 1.687 177.586 175.900 -0.001 0.000 1.137 358 Y CA 1.520 59.617 58.100 -0.005 0.000 1.181 358 Y CB 0.141 38.603 38.460 0.002 0.000 0.989 358 Y HN 0.056 nan 8.280 nan 0.000 0.527 359 E N -0.093 120.099 120.200 -0.014 0.000 2.072 359 E HA -0.224 4.127 4.350 0.001 0.000 0.191 359 E C 2.062 178.592 176.600 -0.117 0.000 0.985 359 E CA 1.309 57.645 56.400 -0.106 0.000 0.801 359 E CB -0.125 29.565 29.700 -0.016 0.000 0.750 359 E HN 0.224 nan 8.360 nan 0.000 0.452 360 K N 1.452 121.818 120.400 -0.057 0.000 2.009 360 K HA -0.176 4.144 4.320 0.001 0.000 0.210 360 K C 1.939 178.507 176.600 -0.054 0.000 1.049 360 K CA 1.739 58.001 56.287 -0.041 0.000 0.929 360 K CB -0.565 31.927 32.500 -0.013 0.000 0.714 360 K HN 0.088 nan 8.250 nan 0.000 0.440 361 A N 0.668 123.445 122.820 -0.071 0.000 1.917 361 A HA -0.178 4.142 4.320 0.001 0.000 0.219 361 A C 2.315 179.838 177.584 -0.102 0.000 1.182 361 A CA 2.094 54.086 52.037 -0.075 0.000 0.633 361 A CB -0.828 18.127 19.000 -0.075 0.000 0.819 361 A HN 0.423 nan 8.150 nan 0.000 0.448 362 I N -0.789 119.667 120.570 -0.189 0.000 2.179 362 I HA -0.324 3.847 4.170 0.001 0.000 0.242 362 I C 2.835 178.940 176.117 -0.021 0.000 1.088 362 I CA 1.704 62.913 61.300 -0.151 0.000 1.357 362 I CB -0.443 37.405 38.000 -0.253 0.000 1.051 362 I HN 0.428 nan 8.210 nan 0.000 0.409 363 Q N -0.004 119.776 119.800 -0.033 0.000 2.050 363 Q HA -0.192 4.148 4.340 0.001 0.000 0.202 363 Q C 2.270 178.320 176.000 0.082 0.000 0.980 363 Q CA 2.232 58.045 55.803 0.015 0.000 0.840 363 Q CB -0.339 28.383 28.738 -0.027 0.000 0.898 363 Q HN 0.483 nan 8.270 nan 0.000 0.424 364 T N 0.965 115.544 114.554 0.042 0.000 2.684 364 T HA -0.228 4.122 4.350 0.001 0.000 0.267 364 T C 1.901 176.644 174.700 0.073 0.000 1.036 364 T CA 1.384 63.514 62.100 0.051 0.000 1.148 364 T CB -0.405 68.475 68.868 0.020 0.000 0.863 364 T HN 0.437 nan 8.240 nan 0.000 0.436 365 A N 0.852 123.710 122.820 0.062 0.000 1.883 365 A HA -0.072 4.248 4.320 0.001 0.000 0.217 365 A C 2.036 179.690 177.584 0.116 0.000 1.186 365 A CA 1.577 53.651 52.037 0.061 0.000 0.624 365 A CB -1.093 17.929 19.000 0.036 0.000 0.822 365 A HN 0.493 nan 8.150 nan 0.000 0.444 366 F N 0.482 120.462 119.950 0.050 0.000 2.069 366 F HA -0.272 4.256 4.527 0.001 0.000 0.298 366 F C 2.666 178.525 175.800 0.099 0.000 1.113 366 F CA 2.488 60.560 58.000 0.121 0.000 1.214 366 F CB -0.239 38.810 39.000 0.082 0.000 0.978 366 F HN 0.361 nan 8.300 nan 0.000 0.474 367 Q N 0.775 120.783 119.800 0.347 0.000 2.096 367 Q HA -0.289 4.052 4.340 0.001 0.000 0.208 367 Q C 2.017 178.067 176.000 0.084 0.000 0.993 367 Q CA 2.488 58.423 55.803 0.220 0.000 0.862 367 Q CB -0.443 28.393 28.738 0.164 0.000 0.915 367 Q HN 0.630 nan 8.270 nan 0.000 0.416 368 E N -0.586 119.642 120.200 0.046 0.000 2.110 368 E HA -0.132 4.218 4.350 0.001 0.000 0.193 368 E C 2.164 178.732 176.600 -0.053 0.000 0.988 368 E CA 1.339 57.743 56.400 0.006 0.000 0.804 368 E CB 0.101 29.805 29.700 0.007 0.000 0.745 368 E HN 0.198 nan 8.360 nan 0.000 0.458 369 V N 1.360 121.194 119.914 -0.132 0.000 2.323 369 V HA -0.210 3.911 4.120 0.001 0.000 0.244 369 V C 2.356 178.236 176.094 -0.357 0.000 1.041 369 V CA 1.605 63.734 62.300 -0.285 0.000 1.025 369 V CB -0.735 30.836 31.823 -0.421 0.000 0.656 369 V HN 0.294 nan 8.190 nan 0.000 0.451 370 A N 0.463 123.067 122.820 -0.360 0.000 1.884 370 A HA -0.343 3.977 4.320 0.001 0.000 0.219 370 A C 1.966 179.579 177.584 0.049 0.000 1.197 370 A CA 2.477 54.427 52.037 -0.145 0.000 0.637 370 A CB -0.925 18.075 19.000 -0.001 0.000 0.827 370 A HN 0.547 nan 8.150 nan 0.000 0.450 371 D N -0.549 119.867 120.400 0.028 0.000 2.133 371 D HA -0.111 4.529 4.640 0.001 0.000 0.195 371 D C 2.053 178.356 176.300 0.006 0.000 0.997 371 D CA 1.527 55.542 54.000 0.025 0.000 0.840 371 D CB -0.872 39.947 40.800 0.032 0.000 0.947 371 D HN 0.478 nan 8.370 nan 0.000 0.452 372 G N 0.640 109.429 108.800 -0.018 0.000 2.440 372 G HA2 -0.211 3.749 3.960 0.001 0.000 0.218 372 G HA3 -0.211 3.749 3.960 0.001 0.000 0.218 372 G C 1.734 176.634 174.900 -0.000 0.000 1.154 372 G CA 0.411 45.507 45.100 -0.006 0.000 0.767 372 G HN 0.284 nan 8.290 nan 0.000 0.552 373 L N 0.497 121.706 121.223 -0.023 0.000 2.217 373 L HA 0.077 4.418 4.340 0.001 0.000 0.211 373 L C 3.322 180.187 176.870 -0.009 0.000 1.107 373 L CA 0.682 55.545 54.840 0.038 0.000 0.783 373 L CB -0.317 41.796 42.059 0.089 0.000 0.919 373 L HN 0.297 nan 8.230 nan 0.000 0.442 374 A N 0.310 123.052 122.820 -0.130 0.000 1.930 374 A HA -0.109 4.212 4.320 0.001 0.000 0.217 374 A C 2.553 179.996 177.584 -0.235 0.000 1.175 374 A CA 1.591 53.370 52.037 -0.430 0.000 0.627 374 A CB -0.508 18.257 19.000 -0.392 0.000 0.815 374 A HN 0.372 nan 8.150 nan 0.000 0.443 375 A N -0.252 122.530 122.820 -0.063 0.000 1.873 375 A HA -0.141 4.179 4.320 0.001 0.000 0.215 375 A C 2.259 179.936 177.584 0.154 0.000 1.186 375 A CA 1.608 53.700 52.037 0.092 0.000 0.616 375 A CB -0.514 18.686 19.000 0.333 0.000 0.823 375 A HN 0.519 nan 8.150 nan 0.000 0.442 376 R N -0.463 120.099 120.500 0.103 0.000 2.120 376 R HA -0.116 4.225 4.340 0.001 0.000 0.234 376 R C 1.950 178.281 176.300 0.051 0.000 1.123 376 R CA 1.397 57.556 56.100 0.097 0.000 0.975 376 R CB -0.525 29.817 30.300 0.070 0.000 0.866 376 R HN 0.467 nan 8.270 nan 0.000 0.446 377 G N -1.230 107.563 108.800 -0.012 0.000 2.848 377 G HA2 -0.123 3.837 3.960 0.001 0.000 0.208 377 G HA3 -0.123 3.837 3.960 0.001 0.000 0.208 377 G C 1.044 175.901 174.900 -0.072 0.000 1.152 377 G CA 0.948 46.028 45.100 -0.033 0.000 0.789 377 G HN 0.538 nan 8.290 nan 0.000 0.531 378 T N -4.029 110.460 114.554 -0.108 0.000 3.010 378 T HA 0.203 4.553 4.350 0.001 0.000 0.252 378 T C 1.861 176.466 174.700 -0.159 0.000 0.963 378 T CA -0.315 61.675 62.100 -0.184 0.000 0.952 378 T CB -0.345 68.327 68.868 -0.327 0.000 1.182 378 T HN 0.052 nan 8.240 nan 0.000 0.495 379 F N 2.737 122.667 119.950 -0.033 0.000 2.269 379 F HA -0.023 4.504 4.527 0.001 0.000 0.301 379 F C 2.719 178.511 175.800 -0.014 0.000 1.082 379 F CA 1.215 59.202 58.000 -0.021 0.000 1.360 379 F CB -0.427 38.564 39.000 -0.016 0.000 1.041 379 F HN 0.168 nan 8.300 nan 0.000 0.512 380 T N -0.898 113.747 114.554 0.151 0.000 2.777 380 T HA -0.181 4.170 4.350 0.001 0.000 0.266 380 T C 1.643 176.378 174.700 0.059 0.000 1.040 380 T CA 1.408 63.562 62.100 0.090 0.000 1.141 380 T CB -0.238 68.666 68.868 0.060 0.000 0.868 380 T HN 0.140 nan 8.240 nan 0.000 0.444 381 E N 0.938 121.157 120.200 0.031 0.000 2.110 381 E HA -0.118 4.233 4.350 0.001 0.000 0.193 381 E C 2.281 178.890 176.600 0.014 0.000 0.988 381 E CA 0.912 57.317 56.400 0.009 0.000 0.804 381 E CB -0.121 29.568 29.700 -0.017 0.000 0.745 381 E HN 0.507 nan 8.360 nan 0.000 0.458 382 Q N -0.114 119.699 119.800 0.021 0.000 2.049 382 Q HA -0.096 4.245 4.340 0.001 0.000 0.198 382 Q C 2.091 178.133 176.000 0.070 0.000 0.971 382 Q CA 0.921 56.742 55.803 0.030 0.000 0.833 382 Q CB 0.008 28.752 28.738 0.010 0.000 0.896 382 Q HN 0.282 nan 8.270 nan 0.000 0.434 383 L N 0.553 121.840 121.223 0.107 0.000 2.083 383 L HA -0.217 4.124 4.340 0.001 0.000 0.209 383 L C 2.642 179.542 176.870 0.050 0.000 1.083 383 L CA 1.137 56.026 54.840 0.082 0.000 0.752 383 L CB -0.377 41.731 42.059 0.081 0.000 0.899 383 L HN 0.298 nan 8.230 nan 0.000 0.433 384 Q N 0.368 120.194 119.800 0.043 0.000 2.096 384 Q HA -0.193 4.147 4.340 0.001 0.000 0.204 384 Q C 2.174 178.189 176.000 0.026 0.000 0.982 384 Q CA 2.266 58.087 55.803 0.030 0.000 0.850 384 Q CB -0.303 28.450 28.738 0.025 0.000 0.901 384 Q HN 0.443 nan 8.270 nan 0.000 0.422 385 A N -0.304 122.531 122.820 0.024 0.000 1.930 385 A HA -0.178 4.142 4.320 0.001 0.000 0.217 385 A C 2.058 179.657 177.584 0.025 0.000 1.175 385 A CA 1.622 53.670 52.037 0.019 0.000 0.627 385 A CB -0.649 18.358 19.000 0.012 0.000 0.815 385 A HN 0.459 nan 8.150 nan 0.000 0.443 386 Q N -0.139 119.680 119.800 0.031 0.000 2.167 386 Q HA -0.056 4.284 4.340 0.001 0.000 0.202 386 Q C 2.140 178.160 176.000 0.032 0.000 0.970 386 Q CA 1.641 57.464 55.803 0.034 0.000 0.855 386 Q CB -0.265 28.498 28.738 0.041 0.000 0.911 386 Q HN 0.634 nan 8.270 nan 0.000 0.438 387 R N -0.123 120.395 120.500 0.030 0.000 2.075 387 R HA -0.110 4.230 4.340 0.001 0.000 0.232 387 R C 1.543 177.861 176.300 0.030 0.000 1.126 387 R CA 1.454 57.570 56.100 0.027 0.000 0.963 387 R CB -0.080 30.234 30.300 0.023 0.000 0.858 387 R HN 0.386 nan 8.270 nan 0.000 0.435 388 D N 0.705 121.122 120.400 0.028 0.000 2.117 388 D HA -0.180 4.460 4.640 0.001 0.000 0.197 388 D C 1.822 178.144 176.300 0.036 0.000 0.987 388 D CA 0.866 54.883 54.000 0.029 0.000 0.829 388 D CB -0.219 40.594 40.800 0.022 0.000 0.961 388 D HN 0.086 nan 8.370 nan 0.000 0.460 389 L N 0.830 122.075 121.223 0.037 0.000 2.046 389 L HA -0.144 4.196 4.340 0.001 0.000 0.208 389 L C 2.254 179.161 176.870 0.062 0.000 1.077 389 L CA 1.290 56.158 54.840 0.047 0.000 0.747 389 L CB -0.553 41.531 42.059 0.042 0.000 0.896 389 L HN -0.135 nan 8.230 nan 0.000 0.432 390 V N 0.036 119.982 119.914 0.054 0.000 2.233 390 V HA -0.368 3.753 4.120 0.001 0.000 0.247 390 V C 2.666 178.801 176.094 0.068 0.000 1.050 390 V CA 2.291 64.626 62.300 0.059 0.000 1.010 390 V CB -0.750 31.099 31.823 0.043 0.000 0.637 390 V HN 0.541 nan 8.190 nan 0.000 0.444 391 K N -0.058 120.377 120.400 0.057 0.000 2.044 391 K HA -0.261 4.059 4.320 0.001 0.000 0.210 391 K C 2.158 178.806 176.600 0.081 0.000 1.049 391 K CA 1.956 58.279 56.287 0.061 0.000 0.927 391 K CB -0.377 32.150 32.500 0.045 0.000 0.713 391 K HN 0.453 nan 8.250 nan 0.000 0.443 392 A N 0.217 123.084 122.820 0.079 0.000 1.897 392 A HA -0.093 4.228 4.320 0.001 0.000 0.215 392 A C 2.171 179.849 177.584 0.157 0.000 1.181 392 A CA 1.827 53.917 52.037 0.090 0.000 0.620 392 A CB -0.556 18.478 19.000 0.056 0.000 0.821 392 A HN 0.345 nan 8.150 nan 0.000 0.443 393 S N -0.087 115.714 115.700 0.168 0.000 2.370 393 S HA -0.192 4.278 4.470 0.001 0.000 0.226 393 S C 1.836 176.581 174.600 0.243 0.000 1.033 393 S CA 1.623 59.970 58.200 0.245 0.000 1.011 393 S CB -0.376 62.929 63.200 0.175 0.000 0.852 393 S HN 0.732 nan 8.310 nan 0.000 0.457 394 D N 1.056 121.561 120.400 0.176 0.000 2.117 394 D HA -0.104 4.537 4.640 0.001 0.000 0.198 394 D C 1.997 178.426 176.300 0.216 0.000 0.982 394 D CA 1.029 55.140 54.000 0.185 0.000 0.828 394 D CB -0.143 40.728 40.800 0.119 0.000 0.967 394 D HN 0.322 nan 8.370 nan 0.000 0.464 395 E N -0.352 119.951 120.200 0.172 0.000 2.058 395 E HA -0.228 4.123 4.350 0.001 0.000 0.194 395 E C 2.099 178.819 176.600 0.201 0.000 0.997 395 E CA 0.788 57.277 56.400 0.149 0.000 0.801 395 E CB -0.697 29.069 29.700 0.110 0.000 0.746 395 E HN 0.445 nan 8.360 nan 0.000 0.450 396 Y N 1.393 121.740 120.300 0.078 0.000 2.114 396 Y HA -0.327 4.223 4.550 0.001 0.000 0.282 396 Y C 2.260 178.206 175.900 0.076 0.000 1.165 396 Y CA 1.589 59.729 58.100 0.067 0.000 1.148 396 Y CB -1.106 37.400 38.460 0.077 0.000 0.972 396 Y HN 0.103 nan 8.280 nan 0.000 0.504 397 Y N 1.112 121.396 120.300 -0.027 0.000 2.128 397 Y HA -0.299 4.252 4.550 0.001 0.000 0.284 397 Y C 2.509 178.378 175.900 -0.053 0.000 1.154 397 Y CA 2.500 60.519 58.100 -0.136 0.000 1.149 397 Y CB -0.709 37.705 38.460 -0.076 0.000 0.976 397 Y HN 0.290 nan 8.280 nan 0.000 0.505 398 Q N 0.079 119.792 119.800 -0.144 0.000 2.030 398 Q HA -0.206 4.135 4.340 0.001 0.000 0.204 398 Q C 2.408 178.295 176.000 -0.188 0.000 0.986 398 Q CA 2.202 57.879 55.803 -0.211 0.000 0.843 398 Q CB -0.373 28.353 28.738 -0.019 0.000 0.904 398 Q HN 0.530 nan 8.270 nan 0.000 0.420 399 L N 0.035 121.216 121.223 -0.069 0.000 1.971 399 L HA -0.276 4.064 4.340 0.001 0.000 0.215 399 L C 2.507 179.334 176.870 -0.071 0.000 1.072 399 L CA 1.283 56.104 54.840 -0.032 0.000 0.758 399 L CB -0.647 41.441 42.059 0.050 0.000 0.889 399 L HN 0.279 nan 8.230 nan 0.000 0.433 400 A N -0.772 121.991 122.820 -0.095 0.000 1.908 400 A HA -0.315 4.005 4.320 0.001 0.000 0.218 400 A C 2.123 179.597 177.584 -0.184 0.000 1.181 400 A CA 2.206 54.166 52.037 -0.128 0.000 0.627 400 A CB -0.768 18.100 19.000 -0.220 0.000 0.818 400 A HN 0.548 nan 8.150 nan 0.000 0.445 401 D N -0.507 119.692 120.400 -0.334 0.000 2.097 401 D HA -0.201 4.440 4.640 0.001 0.000 0.195 401 D C 2.012 178.237 176.300 -0.125 0.000 0.989 401 D CA 1.670 55.500 54.000 -0.283 0.000 0.827 401 D CB -0.145 40.367 40.800 -0.480 0.000 0.966 401 D HN 0.548 nan 8.370 nan 0.000 0.456 402 K N 0.728 121.047 120.400 -0.135 0.000 2.020 402 K HA -0.194 4.127 4.320 0.001 0.000 0.212 402 K C 2.322 178.887 176.600 -0.059 0.000 1.050 402 K CA 1.222 57.461 56.287 -0.080 0.000 0.929 402 K CB -0.055 32.404 32.500 -0.068 0.000 0.714 402 K HN 0.039 nan 8.250 nan 0.000 0.443 403 R N -0.748 119.727 120.500 -0.042 0.000 2.127 403 R HA -0.194 4.146 4.340 0.001 0.000 0.238 403 R C 2.424 178.713 176.300 -0.019 0.000 1.134 403 R CA 1.713 57.799 56.100 -0.022 0.000 0.975 403 R CB -0.563 29.739 30.300 0.004 0.000 0.865 403 R HN 0.392 nan 8.270 nan 0.000 0.447 404 Y N 1.741 121.984 120.300 -0.094 0.000 2.133 404 Y HA -0.147 4.404 4.550 0.001 0.000 0.287 404 Y C 2.257 178.135 175.900 -0.037 0.000 1.134 404 Y CA 1.350 59.401 58.100 -0.081 0.000 1.133 404 Y CB -0.011 38.344 38.460 -0.173 0.000 0.987 404 Y HN -0.200 nan 8.280 nan 0.000 0.502 405 R N -0.630 119.714 120.500 -0.260 0.000 2.127 405 R HA -0.117 4.223 4.340 0.001 0.000 0.238 405 R C 1.954 178.104 176.300 -0.250 0.000 1.134 405 R CA 1.596 57.539 56.100 -0.260 0.000 0.975 405 R CB -1.452 28.802 30.300 -0.078 0.000 0.865 405 R HN 0.314 nan 8.270 nan 0.000 0.447 406 T N -0.802 113.636 114.554 -0.193 0.000 3.107 406 T HA 0.181 4.532 4.350 0.001 0.000 0.249 406 T C 1.075 175.691 174.700 -0.141 0.000 1.096 406 T CA 0.804 62.826 62.100 -0.131 0.000 1.012 406 T CB 0.262 69.080 68.868 -0.083 0.000 0.977 406 T HN 0.573 nan 8.240 nan 0.000 0.527 407 G N 0.664 109.336 108.800 -0.213 0.000 2.205 407 G HA2 -0.297 3.663 3.960 0.001 0.000 0.261 407 G HA3 -0.297 3.663 3.960 0.001 0.000 0.261 407 G C 1.143 175.991 174.900 -0.087 0.000 0.980 407 G CA 0.490 45.490 45.100 -0.166 0.000 0.632 407 G HN 0.454 nan 8.290 nan 0.000 0.533 408 V N -0.015 119.857 119.914 -0.070 0.000 2.594 408 V HA 0.139 4.260 4.120 0.001 0.000 0.253 408 V C 1.126 177.220 176.094 0.000 0.000 1.069 408 V CA 2.320 64.603 62.300 -0.029 0.000 1.082 408 V CB -0.042 31.767 31.823 -0.024 0.000 0.680 408 V HN 0.632 nan 8.190 nan 0.000 0.469 409 D N -2.056 118.354 120.400 0.018 0.000 2.615 409 D HA 0.241 4.882 4.640 0.001 0.000 0.267 409 D C -0.935 175.469 176.300 0.174 0.000 1.236 409 D CA -0.625 53.418 54.000 0.073 0.000 0.839 409 D CB 1.280 42.118 40.800 0.062 0.000 1.380 409 D HN 0.214 nan 8.370 nan 0.000 0.433 410 N N -0.279 118.525 118.700 0.173 0.000 2.408 410 N HA 0.081 4.821 4.740 0.001 0.000 0.260 410 N C 0.540 176.145 175.510 0.157 0.000 1.242 410 N CA -0.129 53.057 53.050 0.228 0.000 0.959 410 N CB 0.217 38.789 38.487 0.142 0.000 1.201 410 N HN 0.453 nan 8.380 nan 0.000 0.511 411 Y N -0.626 119.641 120.300 -0.055 0.000 2.373 411 Y HA -0.008 4.543 4.550 0.001 0.000 0.293 411 Y C 1.902 177.701 175.900 -0.169 0.000 1.129 411 Y CA 0.638 58.540 58.100 -0.330 0.000 1.226 411 Y CB 0.014 38.197 38.460 -0.462 0.000 1.000 411 Y HN 0.568 nan 8.280 nan 0.000 0.549 412 L N -0.430 120.831 121.223 0.064 0.000 2.083 412 L HA -0.203 4.138 4.340 0.001 0.000 0.209 412 L C 2.118 178.985 176.870 -0.005 0.000 1.083 412 L CA 2.382 57.249 54.840 0.045 0.000 0.752 412 L CB -1.117 40.976 42.059 0.057 0.000 0.899 412 L HN 0.141 nan 8.230 nan 0.000 0.433 413 T N -0.284 114.261 114.554 -0.016 0.000 2.777 413 T HA -0.164 4.186 4.350 0.001 0.000 0.266 413 T C 1.799 176.409 174.700 -0.149 0.000 1.040 413 T CA 1.496 63.592 62.100 -0.007 0.000 1.141 413 T CB -0.431 68.469 68.868 0.052 0.000 0.868 413 T HN 0.304 nan 8.240 nan 0.000 0.444 414 L N 1.059 122.120 121.223 -0.271 0.000 2.012 414 L HA 0.012 4.353 4.340 0.001 0.000 0.210 414 L C 2.176 178.863 176.870 -0.305 0.000 1.073 414 L CA 1.521 56.118 54.840 -0.405 0.000 0.748 414 L CB -0.997 40.616 42.059 -0.745 0.000 0.891 414 L HN 0.138 nan 8.230 nan 0.000 0.431 415 L N -0.116 120.961 121.223 -0.242 0.000 2.012 415 L HA -0.247 4.094 4.340 0.001 0.000 0.210 415 L C 2.250 179.072 176.870 -0.080 0.000 1.073 415 L CA 2.292 57.072 54.840 -0.101 0.000 0.748 415 L CB -0.963 41.108 42.059 0.020 0.000 0.891 415 L HN 0.514 nan 8.230 nan 0.000 0.431 416 D N -0.972 119.393 120.400 -0.057 0.000 2.116 416 D HA -0.226 4.415 4.640 0.001 0.000 0.193 416 D C 2.108 178.357 176.300 -0.086 0.000 0.998 416 D CA 1.589 55.586 54.000 -0.005 0.000 0.836 416 D CB -0.069 40.787 40.800 0.094 0.000 0.951 416 D HN 0.424 nan 8.370 nan 0.000 0.449 417 A N -0.164 122.430 122.820 -0.377 0.000 1.933 417 A HA -0.218 4.103 4.320 0.001 0.000 0.218 417 A C 2.192 179.692 177.584 -0.140 0.000 1.175 417 A CA 1.645 53.298 52.037 -0.640 0.000 0.628 417 A CB -0.695 17.660 19.000 -1.076 0.000 0.814 417 A HN 0.356 nan 8.150 nan 0.000 0.444 418 Q N -0.637 119.137 119.800 -0.044 0.000 2.030 418 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 418 Q C 2.397 178.453 176.000 0.094 0.000 0.986 418 Q CA 1.887 57.698 55.803 0.013 0.000 0.843 418 Q CB -0.184 28.502 28.738 -0.087 0.000 0.904 418 Q HN 0.658 nan 8.270 nan 0.000 0.420 419 R N -0.083 120.460 120.500 0.073 0.000 2.083 419 R HA -0.109 4.231 4.340 0.001 0.000 0.237 419 R C 2.524 178.908 176.300 0.140 0.000 1.137 419 R CA 1.656 57.840 56.100 0.140 0.000 0.951 419 R CB -0.293 30.060 30.300 0.089 0.000 0.851 419 R HN 0.107 nan 8.270 nan 0.000 0.434 420 S N 1.243 117.010 115.700 0.112 0.000 2.370 420 S HA -0.142 4.328 4.470 0.001 0.000 0.226 420 S C 1.838 176.515 174.600 0.129 0.000 1.033 420 S CA 1.115 59.395 58.200 0.134 0.000 1.011 420 S CB -0.290 63.037 63.200 0.212 0.000 0.852 420 S HN 0.169 nan 8.310 nan 0.000 0.457 421 L N 1.003 122.298 121.223 0.119 0.000 2.017 421 L HA 0.080 4.420 4.340 0.001 0.000 0.208 421 L C 1.915 178.886 176.870 0.167 0.000 1.073 421 L CA 1.625 56.526 54.840 0.102 0.000 0.745 421 L CB -0.712 41.349 42.059 0.003 0.000 0.894 421 L HN 0.376 nan 8.230 nan 0.000 0.432 422 F N -0.327 119.629 119.950 0.010 0.000 2.206 422 F HA -0.231 4.297 4.527 0.001 0.000 0.298 422 F C 2.373 178.192 175.800 0.031 0.000 1.090 422 F CA 1.359 59.370 58.000 0.018 0.000 1.323 422 F CB -0.036 39.011 39.000 0.078 0.000 1.028 422 F HN 0.315 nan 8.300 nan 0.000 0.492 423 T N -1.612 112.939 114.554 -0.004 0.000 2.904 423 T HA 0.013 4.363 4.350 0.001 0.000 0.267 423 T C 1.980 176.647 174.700 -0.054 0.000 1.059 423 T CA 0.703 62.731 62.100 -0.119 0.000 1.137 423 T CB -0.661 68.176 68.868 -0.052 0.000 0.879 423 T HN 0.244 nan 8.240 nan 0.000 0.467 424 A N 1.711 124.539 122.820 0.014 0.000 1.898 424 A HA -0.081 4.239 4.320 0.001 0.000 0.216 424 A C 2.483 180.074 177.584 0.012 0.000 1.181 424 A CA 1.474 53.525 52.037 0.023 0.000 0.620 424 A CB -0.792 18.240 19.000 0.053 0.000 0.819 424 A HN 0.604 nan 8.150 nan 0.000 0.442 425 Q N -0.622 119.194 119.800 0.027 0.000 2.050 425 Q HA -0.237 4.103 4.340 0.001 0.000 0.202 425 Q C 2.374 178.359 176.000 -0.025 0.000 0.980 425 Q CA 1.807 57.624 55.803 0.023 0.000 0.840 425 Q CB -0.230 28.554 28.738 0.077 0.000 0.898 425 Q HN 0.766 nan 8.270 nan 0.000 0.424 426 Q N 0.232 119.979 119.800 -0.088 0.000 2.061 426 Q HA -0.268 4.072 4.340 0.001 0.000 0.204 426 Q C 2.156 178.113 176.000 -0.073 0.000 0.984 426 Q CA 1.553 57.278 55.803 -0.130 0.000 0.846 426 Q CB -0.146 28.451 28.738 -0.235 0.000 0.902 426 Q HN 0.221 nan 8.270 nan 0.000 0.421 427 Q N 0.776 120.543 119.800 -0.055 0.000 2.181 427 Q HA -0.176 4.165 4.340 0.001 0.000 0.205 427 Q C 1.795 177.791 176.000 -0.005 0.000 0.980 427 Q CA 1.086 56.877 55.803 -0.020 0.000 0.862 427 Q CB -0.269 28.465 28.738 -0.008 0.000 0.905 427 Q HN 0.334 nan 8.270 nan 0.000 0.429 428 L N -0.340 120.878 121.223 -0.008 0.000 2.093 428 L HA -0.030 4.310 4.340 0.001 0.000 0.208 428 L C 1.896 178.755 176.870 -0.019 0.000 1.085 428 L CA 1.553 56.393 54.840 -0.001 0.000 0.755 428 L CB -0.449 41.611 42.059 0.002 0.000 0.904 428 L HN 0.366 nan 8.230 nan 0.000 0.435 429 I N -1.110 119.437 120.570 -0.039 0.000 2.252 429 I HA -0.278 3.892 4.170 0.001 0.000 0.245 429 I C 2.160 178.244 176.117 -0.054 0.000 1.102 429 I CA 1.595 62.860 61.300 -0.059 0.000 1.385 429 I CB -0.622 37.324 38.000 -0.091 0.000 1.064 429 I HN 0.245 nan 8.210 nan 0.000 0.414 430 T N 0.131 114.663 114.554 -0.036 0.000 2.746 430 T HA -0.163 4.187 4.350 0.001 0.000 0.267 430 T C 1.481 176.170 174.700 -0.018 0.000 1.039 430 T CA 1.502 63.590 62.100 -0.020 0.000 1.142 430 T CB -0.305 68.565 68.868 0.003 0.000 0.866 430 T HN 0.302 nan 8.240 nan 0.000 0.444 431 D N 0.771 121.177 120.400 0.009 0.000 2.123 431 D HA -0.088 4.553 4.640 0.001 0.000 0.196 431 D C 2.308 178.548 176.300 -0.100 0.000 0.992 431 D CA 0.977 55.002 54.000 0.041 0.000 0.833 431 D CB -0.262 40.607 40.800 0.116 0.000 0.954 431 D HN 0.181 nan 8.370 nan 0.000 0.455 432 R N 0.749 121.197 120.500 -0.087 0.000 2.075 432 R HA -0.073 4.267 4.340 0.001 0.000 0.232 432 R C 2.127 178.327 176.300 -0.166 0.000 1.126 432 R CA 0.672 56.697 56.100 -0.126 0.000 0.963 432 R CB -0.955 29.300 30.300 -0.075 0.000 0.858 432 R HN 0.152 nan 8.270 nan 0.000 0.435 433 L N 1.112 122.260 121.223 -0.124 0.000 2.013 433 L HA -0.189 4.152 4.340 0.001 0.000 0.212 433 L C 1.291 178.063 176.870 -0.164 0.000 1.073 433 L CA 2.056 56.829 54.840 -0.112 0.000 0.753 433 L CB -0.932 41.085 42.059 -0.071 0.000 0.890 433 L HN 0.256 nan 8.230 nan 0.000 0.432 434 N N -0.395 118.177 118.700 -0.215 0.000 2.309 434 N HA -0.198 4.543 4.740 0.001 0.000 0.182 434 N C 1.750 176.865 175.510 -0.658 0.000 1.018 434 N CA 1.420 54.300 53.050 -0.284 0.000 0.876 434 N CB -0.239 38.178 38.487 -0.117 0.000 0.972 434 N HN 0.756 nan 8.380 nan 0.000 0.434 435 Q N 0.505 119.733 119.800 -0.954 0.000 2.137 435 Q HA 0.080 4.420 4.340 0.001 0.000 0.198 435 Q C 1.913 177.672 176.000 -0.402 0.000 0.960 435 Q CA 0.868 56.002 55.803 -1.115 0.000 0.847 435 Q CB -0.523 27.604 28.738 -1.019 0.000 0.915 435 Q HN 0.228 nan 8.270 nan 0.000 0.448 436 L N 0.649 121.721 121.223 -0.252 0.000 2.046 436 L HA -0.160 4.181 4.340 0.001 0.000 0.208 436 L C 2.375 179.228 176.870 -0.029 0.000 1.077 436 L CA 1.740 56.521 54.840 -0.099 0.000 0.747 436 L CB -0.745 41.276 42.059 -0.064 0.000 0.896 436 L HN 0.367 nan 8.230 nan 0.000 0.432 437 T N -1.068 113.453 114.554 -0.056 0.000 2.788 437 T HA -0.152 4.198 4.350 0.001 0.000 0.268 437 T C 2.113 176.834 174.700 0.035 0.000 1.044 437 T CA 1.571 63.677 62.100 0.011 0.000 1.139 437 T CB -0.079 68.785 68.868 -0.006 0.000 0.867 437 T HN 0.292 nan 8.240 nan 0.000 0.454 438 S N 1.137 116.830 115.700 -0.012 0.000 2.382 438 S HA -0.086 4.384 4.470 0.001 0.000 0.228 438 S C 2.065 176.715 174.600 0.082 0.000 1.027 438 S CA 0.819 59.052 58.200 0.055 0.000 0.991 438 S CB -0.187 63.077 63.200 0.106 0.000 0.823 438 S HN 0.489 nan 8.310 nan 0.000 0.469 439 E N 0.780 121.031 120.200 0.086 0.000 2.107 439 E HA -0.012 4.338 4.350 0.001 0.000 0.191 439 E C 2.274 179.024 176.600 0.251 0.000 0.982 439 E CA 0.543 57.034 56.400 0.152 0.000 0.809 439 E CB -0.370 29.422 29.700 0.152 0.000 0.756 439 E HN 0.317 nan 8.360 nan 0.000 0.459 440 V N 2.130 122.205 119.914 0.269 0.000 2.295 440 V HA -0.287 3.833 4.120 0.001 0.000 0.246 440 V C 1.877 178.139 176.094 0.279 0.000 1.049 440 V CA 2.022 64.553 62.300 0.385 0.000 1.024 440 V CB -0.652 31.387 31.823 0.359 0.000 0.648 440 V HN 0.279 nan 8.190 nan 0.000 0.447 441 N N -0.229 118.574 118.700 0.173 0.000 2.188 441 N HA -0.161 4.580 4.740 0.001 0.000 0.184 441 N C 1.733 177.284 175.510 0.069 0.000 1.018 441 N CA 1.053 54.169 53.050 0.110 0.000 0.858 441 N CB -0.169 38.365 38.487 0.079 0.000 0.989 441 N HN 0.344 nan 8.380 nan 0.000 0.426 442 L N 0.500 121.764 121.223 0.068 0.000 2.017 442 L HA -0.187 4.154 4.340 0.001 0.000 0.208 442 L C 2.019 178.886 176.870 -0.005 0.000 1.073 442 L CA 1.637 56.486 54.840 0.015 0.000 0.745 442 L CB -1.057 41.014 42.059 0.020 0.000 0.894 442 L HN 0.205 nan 8.230 nan 0.000 0.432 443 Y N 0.652 120.856 120.300 -0.161 0.000 2.097 443 Y HA -0.291 4.259 4.550 0.001 0.000 0.282 443 Y C 2.712 178.498 175.900 -0.191 0.000 1.152 443 Y CA 2.575 60.471 58.100 -0.339 0.000 1.136 443 Y CB -0.441 37.499 38.460 -0.865 0.000 0.975 443 Y HN 0.234 nan 8.280 nan 0.000 0.498 444 K N 0.673 121.018 120.400 -0.092 0.000 2.044 444 K HA -0.235 4.086 4.320 0.001 0.000 0.210 444 K C 2.099 178.620 176.600 -0.132 0.000 1.049 444 K CA 1.688 57.901 56.287 -0.123 0.000 0.927 444 K CB -0.625 31.889 32.500 0.023 0.000 0.713 444 K HN 0.470 nan 8.250 nan 0.000 0.443 445 A N 0.976 123.745 122.820 -0.085 0.000 2.014 445 A HA -0.013 4.308 4.320 0.001 0.000 0.218 445 A C 2.219 179.750 177.584 -0.089 0.000 1.163 445 A CA 0.704 52.700 52.037 -0.070 0.000 0.652 445 A CB -0.281 18.690 19.000 -0.048 0.000 0.808 445 A HN 0.320 nan 8.150 nan 0.000 0.449 446 L N -1.820 119.327 121.223 -0.127 0.000 2.217 446 L HA 0.072 4.412 4.340 0.001 0.000 0.211 446 L C 1.856 178.654 176.870 -0.120 0.000 1.107 446 L CA 1.067 55.840 54.840 -0.111 0.000 0.783 446 L CB -0.022 41.969 42.059 -0.114 0.000 0.919 446 L HN 0.585 nan 8.230 nan 0.000 0.442 447 G N -2.188 106.502 108.800 -0.183 0.000 2.559 447 G HA2 0.134 4.095 3.960 0.001 0.000 0.202 447 G HA3 0.134 4.095 3.960 0.001 0.000 0.202 447 G C 0.575 175.323 174.900 -0.252 0.000 0.992 447 G CA -0.369 44.635 45.100 -0.159 0.000 0.764 447 G HN 0.655 nan 8.290 nan 0.000 0.525 448 G N -0.634 107.839 108.800 -0.545 0.000 2.499 448 G HA2 0.391 4.352 3.960 0.001 0.000 0.232 448 G HA3 0.391 4.352 3.960 0.001 0.000 0.232 448 G C 0.637 175.068 174.900 -0.780 0.000 1.251 448 G CA 0.893 45.559 45.100 -0.722 0.000 0.917 448 G HN 1.976 nan 8.290 nan 0.000 0.580 449 G N -1.073 107.647 108.800 -0.133 0.000 4.713 449 G HA2 0.451 4.412 3.960 0.001 0.000 0.318 449 G HA3 0.451 4.412 3.960 0.001 0.000 0.318 449 G C 0.521 175.669 174.900 0.413 0.000 1.435 449 G CA 0.887 46.189 45.100 0.336 0.000 0.965 449 G HN 0.915 nan 8.290 nan 0.000 0.542 450 W N 1.979 123.363 121.300 0.141 0.000 2.443 450 W HA 0.068 4.729 4.660 0.001 0.000 0.296 450 W C -0.442 176.218 176.519 0.236 0.000 1.202 450 W CA 0.192 57.624 57.345 0.144 0.000 1.312 450 W CB 0.302 29.794 29.460 0.054 0.000 1.120 450 W HN 0.176 nan 8.180 nan 0.000 0.536 451 N N 2.214 120.951 118.700 0.062 0.000 2.520 451 N HA -0.050 4.691 4.740 0.001 0.000 0.273 451 N C 0.757 176.223 175.510 -0.072 0.000 1.155 451 N CA 0.267 53.260 53.050 -0.094 0.000 0.967 451 N CB 1.543 40.022 38.487 -0.012 0.000 1.092 451 N HN 0.238 nan 8.380 nan 0.000 0.457 452 Q N 1.506 121.155 119.800 -0.251 0.000 2.020 452 Q HA -0.077 4.264 4.340 0.001 0.000 0.198 452 Q C -0.182 175.462 176.000 -0.592 0.000 0.974 452 Q CA 1.246 56.662 55.803 -0.645 0.000 0.829 452 Q CB 0.361 28.852 28.738 -0.411 0.000 0.894 452 Q HN 0.528 nan 8.270 nan 0.000 0.433 453 Q N 0.420 120.032 119.800 -0.313 0.000 2.248 453 Q HA 0.287 4.627 4.340 0.001 0.000 0.263 453 Q C -0.854 175.078 176.000 -0.113 0.000 1.007 453 Q CA -0.405 55.273 55.803 -0.209 0.000 0.877 453 Q CB 1.579 30.222 28.738 -0.158 0.000 1.315 453 Q HN 0.123 nan 8.270 nan 0.000 0.454 454 T N 1.089 115.601 114.554 -0.070 0.000 2.871 454 T HA 0.145 4.496 4.350 0.001 0.000 0.296 454 T C 0.174 174.863 174.700 -0.018 0.000 0.998 454 T CA -0.076 62.011 62.100 -0.021 0.000 1.162 454 T CB 0.027 68.889 68.868 -0.010 0.000 0.947 454 T HN 0.210 nan 8.240 nan 0.000 0.536 455 V N 5.362 125.278 119.914 0.003 0.000 2.432 455 V HA 0.348 4.469 4.120 0.001 0.000 0.275 455 V C 1.114 177.216 176.094 0.013 0.000 1.043 455 V CA -0.913 61.392 62.300 0.009 0.000 0.925 455 V CB 0.899 32.738 31.823 0.026 0.000 0.985 455 V HN 1.096 nan 8.190 nan 0.000 0.466 456 T N 0.000 114.559 114.554 0.008 0.000 3.816 456 T HA 0.000 4.350 4.350 0.001 0.000 0.228 456 T CA 0.000 62.105 62.100 0.009 0.000 1.349 456 T CB 0.000 68.870 68.868 0.004 0.000 0.612 456 T HN 0.000 nan 8.240 nan 0.000 0.658