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 3bsn_1_A DATA FIRST_RESID 5 DATA SEQUENCE KGTYCGAPIL GPGSAPKLST KTKFWRSSTA PLPPGTYEPA YLGGKDPRVK DATA SEQUENCE GGPSLQQVMR DQLKPFTEPR GKPPKPSVLE AAKKTIINVL EQTIDPPDKW DATA SEQUENCE SFAQACASLD KTTSSGHPHH MRKNDCWNGE SFTGKLADQA SKANLMFEEG DATA SEQUENCE KNMTPVYTGA LKDELVKTDK IYGKIKKRLL WGSDLATMIR CARAFGGLMD DATA SEQUENCE ELKTHCVTLP IRVGMNMNED GPIIFERHSR YRYHYDADYS RWDSTQQRAV DATA SEQUENCE LAAALEIMVK FSSEPHLAQV VAEDLLSPSV VDVGDFTISI NEGLPSGVPC DATA SEQUENCE TSQWNSIAHW LLTLCALSEV TNLSPDIIQA NSLFSFYGDD EIVSTDIKLD DATA SEQUENCE PEKLTAKLKE YGLKPTRPDK TEGPLVISED LNGLTFLRRT VTRDPAGWFG DATA SEQUENCE KLEQSSILRQ MYWTRGPNHE DPSETMIPHS QRPIQLMSLL GEAALHGPAF DATA SEQUENCE YSKISKLVIA ELXXXXXDFY VPRQEPMFRW MRFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.591 176.600 -0.016 0.000 0.988 5 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 5 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 6 G N 1.465 110.254 108.800 -0.019 0.000 2.985 6 G HA2 0.302 4.272 3.960 0.016 0.000 0.282 6 G HA3 0.302 4.272 3.960 0.016 0.000 0.282 6 G C -0.676 174.191 174.900 -0.056 0.000 0.791 6 G CA 0.161 45.236 45.100 -0.041 0.000 1.934 6 G HN 0.505 nan 8.290 nan 0.000 0.563 7 T N 0.503 115.020 114.554 -0.061 0.000 2.893 7 T HA 0.548 4.908 4.350 0.016 0.000 0.293 7 T C -1.825 172.863 174.700 -0.019 0.000 1.027 7 T CA -0.587 61.489 62.100 -0.040 0.000 0.988 7 T CB 1.421 70.276 68.868 -0.022 0.000 1.043 7 T HN 0.238 nan 8.240 nan 0.000 0.461 8 Y N 3.195 123.376 120.300 -0.199 0.000 2.327 8 Y HA 0.373 4.932 4.550 0.016 0.000 0.325 8 Y C 0.524 176.358 175.900 -0.111 0.000 0.999 8 Y CA -1.173 56.794 58.100 -0.222 0.000 1.195 8 Y CB 0.239 38.491 38.460 -0.346 0.000 1.132 8 Y HN 0.982 nan 8.280 nan 0.000 0.455 9 C N 3.539 122.652 119.300 -0.311 0.000 4.274 9 C HA -0.128 4.342 4.460 0.016 0.000 0.297 9 C C 1.523 176.461 174.990 -0.087 0.000 1.446 9 C CA 1.152 60.038 59.018 -0.220 0.000 2.016 9 C CB -2.241 25.347 27.740 -0.254 0.000 1.273 9 C HN 1.773 nan 8.230 nan 0.000 0.782 10 G N -1.438 107.328 108.800 -0.058 0.000 2.176 10 G HA2 0.243 4.213 3.960 0.016 0.000 0.252 10 G HA3 0.243 4.213 3.960 0.016 0.000 0.252 10 G C -0.126 174.775 174.900 0.001 0.000 1.024 10 G CA 0.496 45.583 45.100 -0.023 0.000 0.755 10 G HN 2.415 nan 8.290 nan 0.000 0.507 11 A N 0.116 122.943 122.820 0.012 0.000 2.386 11 A HA 0.923 5.253 4.320 0.016 0.000 0.311 11 A C -2.265 175.337 177.584 0.030 0.000 1.068 11 A CA -1.601 50.457 52.037 0.036 0.000 0.743 11 A CB 2.112 21.149 19.000 0.063 0.000 1.258 11 A HN 0.144 nan 8.150 nan 0.000 0.429 12 P HA 0.178 nan 4.420 nan 0.000 0.266 12 P C -0.703 176.601 177.300 0.008 0.000 1.195 12 P CA 0.485 63.593 63.100 0.013 0.000 0.768 12 P CB 0.454 32.166 31.700 0.020 0.000 0.838 13 I N 3.573 124.130 120.570 -0.022 0.000 2.315 13 I HA 0.133 4.313 4.170 0.016 0.000 0.291 13 I C 1.613 177.737 176.117 0.011 0.000 1.006 13 I CA -0.429 60.849 61.300 -0.036 0.000 1.265 13 I CB 0.858 38.778 38.000 -0.133 0.000 1.387 13 I HN 0.212 nan 8.210 nan 0.000 0.475 14 L N 5.944 127.187 121.223 0.033 0.000 2.529 14 L HA 0.425 4.775 4.340 0.016 0.000 0.223 14 L C 1.017 177.913 176.870 0.044 0.000 1.113 14 L CA 0.035 54.897 54.840 0.035 0.000 0.861 14 L CB -0.302 41.777 42.059 0.033 0.000 1.012 14 L HN 0.880 nan 8.230 nan 0.000 0.461 15 G N -0.379 108.463 108.800 0.069 0.000 2.352 15 G HA2 0.069 4.039 3.960 0.016 0.000 0.283 15 G HA3 0.069 4.039 3.960 0.016 0.000 0.283 15 G C -3.116 171.842 174.900 0.096 0.000 1.308 15 G CA -0.813 44.332 45.100 0.074 0.000 0.892 15 G HN -0.266 nan 8.290 nan 0.000 0.504 16 P HA 0.497 nan 4.420 nan 0.000 0.276 16 P C 0.390 177.668 177.300 -0.038 0.000 1.261 16 P CA 0.352 63.422 63.100 -0.050 0.000 0.800 16 P CB 1.230 32.883 31.700 -0.078 0.000 1.066 17 G N -0.806 107.936 108.800 -0.096 0.000 2.491 17 G HA2 0.462 4.431 3.960 0.016 0.000 0.327 17 G HA3 0.462 4.431 3.960 0.016 0.000 0.327 17 G C 0.229 175.108 174.900 -0.035 0.000 1.189 17 G CA -0.536 44.538 45.100 -0.044 0.000 0.956 17 G HN 0.523 nan 8.290 nan 0.000 0.491 18 S N -1.588 114.125 115.700 0.022 0.000 2.847 18 S HA 0.519 4.999 4.470 0.016 0.000 0.254 18 S C 0.836 175.420 174.600 -0.027 0.000 1.039 18 S CA 0.446 58.659 58.200 0.022 0.000 1.113 18 S CB 0.237 63.485 63.200 0.080 0.000 1.092 18 S HN 1.154 nan 8.310 nan 0.000 0.620 19 A N 3.094 125.867 122.820 -0.078 0.000 2.462 19 A HA 0.585 4.915 4.320 0.016 0.000 0.243 19 A C -2.292 175.122 177.584 -0.282 0.000 1.076 19 A CA -0.897 50.953 52.037 -0.313 0.000 0.773 19 A CB -0.703 18.197 19.000 -0.168 0.000 1.010 19 A HN 0.331 nan 8.150 nan 0.000 0.493 20 P HA 0.077 nan 4.420 nan 0.000 0.268 20 P C -0.314 176.905 177.300 -0.134 0.000 1.208 20 P CA 0.037 63.019 63.100 -0.197 0.000 0.777 20 P CB 0.387 31.982 31.700 -0.175 0.000 0.875 21 K N 1.483 121.827 120.400 -0.093 0.000 2.414 21 K HA 0.086 4.415 4.320 0.016 0.000 0.272 21 K C 0.014 176.577 176.600 -0.061 0.000 0.993 21 K CA -0.593 55.650 56.287 -0.073 0.000 0.964 21 K CB 0.015 32.479 32.500 -0.059 0.000 0.925 21 K HN 0.257 nan 8.250 nan 0.000 0.487 22 L N 1.855 123.046 121.223 -0.052 0.000 2.525 22 L HA -0.061 4.289 4.340 0.016 0.000 0.278 22 L C 0.883 177.727 176.870 -0.043 0.000 1.218 22 L CA 0.752 55.566 54.840 -0.042 0.000 0.878 22 L CB 0.418 42.457 42.059 -0.033 0.000 1.127 22 L HN 0.595 nan 8.230 nan 0.000 0.492 23 S N 1.259 116.937 115.700 -0.036 0.000 2.531 23 S HA 0.169 4.649 4.470 0.016 0.000 0.279 23 S C 1.005 175.570 174.600 -0.058 0.000 1.305 23 S CA 0.005 58.183 58.200 -0.037 0.000 1.058 23 S CB 0.287 63.475 63.200 -0.020 0.000 0.899 23 S HN 0.776 nan 8.310 nan 0.000 0.493 24 T N 1.912 116.425 114.554 -0.069 0.000 3.145 24 T HA 0.382 4.741 4.350 0.016 0.000 0.255 24 T C 0.144 174.778 174.700 -0.110 0.000 1.039 24 T CA -0.283 61.753 62.100 -0.107 0.000 0.928 24 T CB -0.157 68.647 68.868 -0.107 0.000 1.029 24 T HN 0.503 nan 8.240 nan 0.000 0.554 25 K N 0.567 120.922 120.400 -0.075 0.000 2.281 25 K HA 0.672 5.002 4.320 0.016 0.000 0.242 25 K C -0.796 175.779 176.600 -0.041 0.000 0.971 25 K CA -0.784 55.463 56.287 -0.066 0.000 0.834 25 K CB 2.154 34.641 32.500 -0.021 0.000 1.181 25 K HN 0.043 nan 8.250 nan 0.000 0.435 26 T N -0.015 114.518 114.554 -0.035 0.000 2.907 26 T HA 0.214 4.573 4.350 0.016 0.000 0.292 26 T C 0.222 174.989 174.700 0.111 0.000 1.043 26 T CA -0.762 61.359 62.100 0.036 0.000 1.003 26 T CB 0.948 69.845 68.868 0.048 0.000 1.084 26 T HN 0.699 nan 8.240 nan 0.000 0.483 27 K N 2.228 122.633 120.400 0.008 0.000 2.404 27 K HA 0.173 4.502 4.320 0.016 0.000 0.194 27 K C -0.543 176.076 176.600 0.032 0.000 1.023 27 K CA -0.054 56.227 56.287 -0.010 0.000 1.094 27 K CB 0.031 32.408 32.500 -0.206 0.000 0.841 27 K HN 0.361 nan 8.250 nan 0.000 0.523 28 F N 1.300 121.419 119.950 0.282 0.000 2.404 28 F HA 0.348 4.884 4.527 0.016 0.000 0.345 28 F C -0.449 175.705 175.800 0.591 0.000 1.110 28 F CA -0.769 57.449 58.000 0.364 0.000 1.130 28 F CB 0.595 39.581 39.000 -0.022 0.000 1.129 28 F HN -0.053 nan 8.300 nan 0.000 0.500 29 W N 3.056 124.772 121.300 0.694 0.000 2.739 29 W HA 0.552 5.221 4.660 0.015 0.000 0.331 29 W C -0.308 176.539 176.519 0.548 0.000 1.049 29 W CA -1.135 56.552 57.345 0.571 0.000 1.234 29 W CB 0.838 30.398 29.460 0.167 0.000 1.404 29 W HN 0.153 nan 8.180 nan 0.000 0.477 30 R N 1.156 121.935 120.500 0.464 0.000 2.585 30 R HA 0.019 4.369 4.340 0.016 0.000 0.275 30 R C 1.355 177.712 176.300 0.096 0.000 1.018 30 R CA 0.480 56.538 56.100 -0.069 0.000 1.072 30 R CB 0.612 30.796 30.300 -0.194 0.000 0.953 30 R HN 0.720 nan 8.270 nan 0.000 0.419 31 S N -0.228 115.472 115.700 -0.001 0.000 2.489 31 S HA -0.033 4.446 4.470 0.016 0.000 0.228 31 S C 0.838 175.437 174.600 -0.001 0.000 0.995 31 S CA 0.468 58.682 58.200 0.023 0.000 0.934 31 S CB 0.032 63.227 63.200 -0.009 0.000 0.771 31 S HN 0.702 nan 8.310 nan 0.000 0.522 32 S N 0.114 115.805 115.700 -0.016 0.000 2.703 32 S HA 0.457 4.937 4.470 0.016 0.000 0.273 32 S C 0.184 174.779 174.600 -0.009 0.000 1.178 32 S CA -0.061 58.136 58.200 -0.005 0.000 0.838 32 S CB 0.709 63.902 63.200 -0.012 0.000 1.178 32 S HN 0.358 nan 8.310 nan 0.000 0.494 33 T N -1.503 113.052 114.554 0.002 0.000 3.122 33 T HA 0.578 4.938 4.350 0.016 0.000 0.250 33 T C 0.787 175.485 174.700 -0.004 0.000 1.067 33 T CA 0.260 62.361 62.100 0.001 0.000 0.966 33 T CB -0.533 68.343 68.868 0.014 0.000 1.002 33 T HN 1.222 nan 8.240 nan 0.000 0.542 34 A N 2.954 125.775 122.820 0.002 0.000 2.498 34 A HA 0.515 4.845 4.320 0.016 0.000 0.239 34 A C -2.127 175.455 177.584 -0.003 0.000 1.068 34 A CA -1.115 50.929 52.037 0.012 0.000 0.766 34 A CB -0.363 18.660 19.000 0.038 0.000 1.003 34 A HN 0.324 nan 8.150 nan 0.000 0.497 35 P HA 0.240 nan 4.420 nan 0.000 0.271 35 P C -0.619 176.623 177.300 -0.097 0.000 1.216 35 P CA -0.117 62.956 63.100 -0.045 0.000 0.776 35 P CB 0.353 32.031 31.700 -0.037 0.000 0.881 36 L N 5.095 126.231 121.223 -0.144 0.000 2.410 36 L HA 0.193 4.542 4.340 0.016 0.000 0.273 36 L C -1.748 174.976 176.870 -0.245 0.000 1.152 36 L CA -1.708 52.967 54.840 -0.275 0.000 0.855 36 L CB -0.228 41.731 42.059 -0.166 0.000 1.129 36 L HN 0.258 nan 8.230 nan 0.000 0.463 37 P HA 0.064 nan 4.420 nan 0.000 0.266 37 P C -2.415 174.811 177.300 -0.124 0.000 1.195 37 P CA -0.786 62.188 63.100 -0.209 0.000 0.768 37 P CB -0.137 31.419 31.700 -0.239 0.000 0.838 38 P HA 0.028 nan 4.420 nan 0.000 0.262 38 P C 1.033 178.331 177.300 -0.003 0.000 1.182 38 P CA 1.343 64.424 63.100 -0.032 0.000 0.761 38 P CB 0.104 31.790 31.700 -0.023 0.000 0.795 39 G N 1.565 110.384 108.800 0.031 0.000 2.176 39 G HA2 -0.233 3.737 3.960 0.016 0.000 0.253 39 G HA3 -0.233 3.737 3.960 0.016 0.000 0.253 39 G C 0.342 175.334 174.900 0.153 0.000 0.979 39 G CA 0.124 45.276 45.100 0.086 0.000 0.641 39 G HN 0.604 nan 8.290 nan 0.000 0.530 40 T N 1.864 116.483 114.554 0.107 0.000 2.928 40 T HA 0.387 4.747 4.350 0.016 0.000 0.305 40 T C 0.399 175.308 174.700 0.348 0.000 1.035 40 T CA 0.019 62.215 62.100 0.159 0.000 1.145 40 T CB 0.675 69.559 68.868 0.026 0.000 0.963 40 T HN 0.174 nan 8.240 nan 0.000 0.545 41 Y N 2.216 122.585 120.300 0.115 0.000 2.550 41 Y HA 0.233 4.792 4.550 0.016 0.000 0.343 41 Y C 1.236 177.164 175.900 0.047 0.000 1.245 41 Y CA -0.601 57.523 58.100 0.040 0.000 1.462 41 Y CB 0.221 38.648 38.460 -0.054 0.000 1.340 41 Y HN 0.641 nan 8.280 nan 0.000 0.604 42 E N 2.724 122.936 120.200 0.021 0.000 2.393 42 E HA 0.378 4.737 4.350 0.016 0.000 0.273 42 E C -2.785 173.579 176.600 -0.392 0.000 0.918 42 E CA -2.477 53.840 56.400 -0.140 0.000 0.773 42 E CB 1.978 31.768 29.700 0.150 0.000 1.275 42 E HN 0.242 nan 8.360 nan 0.000 0.451 43 P HA -0.024 nan 4.420 nan 0.000 0.265 43 P C -0.880 176.298 177.300 -0.203 0.000 1.193 43 P CA 0.212 63.085 63.100 -0.378 0.000 0.765 43 P CB 0.424 31.977 31.700 -0.245 0.000 0.823 44 A N 3.893 126.626 122.820 -0.146 0.000 2.507 44 A HA -0.007 4.322 4.320 0.016 0.000 0.235 44 A C -0.087 177.476 177.584 -0.035 0.000 1.070 44 A CA -0.020 51.969 52.037 -0.080 0.000 0.768 44 A CB -0.641 18.335 19.000 -0.041 0.000 1.011 44 A HN 0.553 nan 8.150 nan 0.000 0.502 45 Y N 0.781 120.993 120.300 -0.147 0.000 2.987 45 Y HA 0.036 4.595 4.550 0.016 0.000 0.339 45 Y C 0.738 176.580 175.900 -0.097 0.000 1.272 45 Y CA 0.912 58.929 58.100 -0.138 0.000 1.562 45 Y CB 0.207 38.590 38.460 -0.128 0.000 1.253 45 Y HN 0.457 nan 8.280 nan 0.000 0.604 46 L N 5.629 126.459 121.223 -0.656 0.000 2.728 46 L HA 0.374 4.723 4.340 0.016 0.000 0.238 46 L C 1.055 177.563 176.870 -0.603 0.000 1.143 46 L CA 0.378 54.926 54.840 -0.488 0.000 0.937 46 L CB -0.530 41.339 42.059 -0.317 0.000 1.225 46 L HN 1.036 nan 8.230 nan 0.000 0.507 47 G N -0.313 107.784 108.800 -1.172 0.000 2.466 47 G HA2 -0.158 3.812 3.960 0.016 0.000 0.316 47 G HA3 -0.158 3.812 3.960 0.016 0.000 0.316 47 G C 0.531 175.177 174.900 -0.422 0.000 1.270 47 G CA -0.440 44.273 45.100 -0.643 0.000 0.982 47 G HN 0.058 nan 8.290 nan 0.000 0.506 48 G N -0.559 108.174 108.800 -0.112 0.000 2.498 48 G HA2 0.103 4.073 3.960 0.016 0.000 0.219 48 G HA3 0.103 4.073 3.960 0.016 0.000 0.219 48 G C 1.129 176.008 174.900 -0.036 0.000 1.119 48 G CA 1.574 46.671 45.100 -0.005 0.000 0.766 48 G HN 0.680 nan 8.290 nan 0.000 0.552 49 K N 0.452 120.795 120.400 -0.095 0.000 2.537 49 K HA 0.112 4.441 4.320 0.016 0.000 0.206 49 K C -0.426 176.108 176.600 -0.109 0.000 1.041 49 K CA -0.456 55.785 56.287 -0.077 0.000 1.090 49 K CB 0.654 33.115 32.500 -0.064 0.000 0.833 49 K HN 0.054 nan 8.250 nan 0.000 0.493 50 D N 2.016 122.315 120.400 -0.168 0.000 2.434 50 D HA -0.006 4.644 4.640 0.016 0.000 0.252 50 D C -1.721 174.538 176.300 -0.070 0.000 1.185 50 D CA -1.552 52.342 54.000 -0.177 0.000 0.886 50 D CB 1.382 42.007 40.800 -0.292 0.000 1.148 50 D HN -0.035 nan 8.370 nan 0.000 0.483 51 P HA -0.063 nan 4.420 nan 0.000 0.223 51 P C 0.796 178.114 177.300 0.030 0.000 1.144 51 P CA 0.997 64.087 63.100 -0.017 0.000 0.783 51 P CB 0.262 31.944 31.700 -0.031 0.000 0.771 52 R N -1.558 118.969 120.500 0.044 0.000 2.254 52 R HA 0.186 4.536 4.340 0.016 0.000 0.195 52 R C 0.018 176.414 176.300 0.159 0.000 0.957 52 R CA 0.294 56.472 56.100 0.130 0.000 1.024 52 R CB 0.352 30.733 30.300 0.135 0.000 0.952 52 R HN 0.024 nan 8.270 nan 0.000 0.484 53 V N 1.843 121.822 119.914 0.109 0.000 2.483 53 V HA 0.238 4.368 4.120 0.016 0.000 0.297 53 V C -0.524 175.637 176.094 0.111 0.000 1.027 53 V CA -0.975 61.406 62.300 0.135 0.000 0.855 53 V CB 1.982 33.930 31.823 0.209 0.000 0.995 53 V HN 0.049 nan 8.190 nan 0.000 0.424 54 K N 3.017 123.471 120.400 0.089 0.000 2.234 54 K HA 0.541 4.870 4.320 0.016 0.000 0.277 54 K C 0.914 177.549 176.600 0.058 0.000 1.038 54 K CA 0.252 56.578 56.287 0.063 0.000 0.888 54 K CB 1.374 33.903 32.500 0.049 0.000 1.091 54 K HN 1.099 nan 8.250 nan 0.000 0.467 55 G N 2.543 111.377 108.800 0.057 0.000 2.295 55 G HA2 -0.237 3.733 3.960 0.016 0.000 0.287 55 G HA3 -0.237 3.733 3.960 0.016 0.000 0.287 55 G C 0.349 175.280 174.900 0.053 0.000 1.055 55 G CA 0.032 45.161 45.100 0.048 0.000 0.922 55 G HN 0.814 nan 8.290 nan 0.000 0.503 56 G N -0.173 108.687 108.800 0.099 0.000 2.557 56 G HA2 0.790 4.759 3.960 0.016 0.000 0.292 56 G HA3 0.790 4.759 3.960 0.016 0.000 0.292 56 G C -1.192 173.771 174.900 0.105 0.000 1.237 56 G CA -0.586 44.561 45.100 0.078 0.000 0.978 56 G HN 0.343 nan 8.290 nan 0.000 0.498 57 P HA 0.161 nan 4.420 nan 0.000 0.270 57 P C 0.318 177.728 177.300 0.183 0.000 1.223 57 P CA -0.249 62.885 63.100 0.058 0.000 0.785 57 P CB 0.849 32.532 31.700 -0.027 0.000 0.923 58 S N 0.597 116.367 115.700 0.117 0.000 2.603 58 S HA 0.151 4.631 4.470 0.016 0.000 0.268 58 S C 1.530 176.206 174.600 0.127 0.000 1.317 58 S CA -0.687 57.578 58.200 0.107 0.000 1.012 58 S CB 0.105 63.342 63.200 0.061 0.000 0.926 58 S HN 0.367 nan 8.310 nan 0.000 0.539 59 L N 0.658 121.933 121.223 0.087 0.000 2.191 59 L HA -0.148 4.202 4.340 0.016 0.000 0.212 59 L C 2.699 179.603 176.870 0.057 0.000 1.103 59 L CA 1.136 56.020 54.840 0.074 0.000 0.769 59 L CB -0.636 41.431 42.059 0.012 0.000 0.908 59 L HN 0.675 nan 8.230 nan 0.000 0.438 60 Q N -0.239 119.594 119.800 0.056 0.000 2.079 60 Q HA -0.209 4.140 4.340 0.016 0.000 0.200 60 Q C 2.201 178.248 176.000 0.079 0.000 0.974 60 Q CA 1.417 57.266 55.803 0.076 0.000 0.840 60 Q CB -0.231 28.561 28.738 0.089 0.000 0.898 60 Q HN 0.486 nan 8.270 nan 0.000 0.430 61 Q N -0.505 119.333 119.800 0.063 0.000 2.079 61 Q HA -0.101 4.248 4.340 0.016 0.000 0.200 61 Q C 2.089 178.096 176.000 0.011 0.000 0.974 61 Q CA 1.427 57.249 55.803 0.032 0.000 0.840 61 Q CB -0.014 28.741 28.738 0.028 0.000 0.898 61 Q HN 0.234 nan 8.270 nan 0.000 0.430 62 V N 1.018 120.951 119.914 0.032 0.000 2.332 62 V HA -0.316 3.813 4.120 0.016 0.000 0.248 62 V C 2.244 178.343 176.094 0.008 0.000 1.055 62 V CA 1.966 64.278 62.300 0.020 0.000 1.038 62 V CB -0.531 31.334 31.823 0.069 0.000 0.651 62 V HN 0.447 nan 8.190 nan 0.000 0.450 63 M N -0.472 119.135 119.600 0.012 0.000 2.117 63 M HA -0.207 4.283 4.480 0.016 0.000 0.262 63 M C 2.449 178.730 176.300 -0.032 0.000 1.065 63 M CA 1.818 57.111 55.300 -0.013 0.000 1.114 63 M CB -0.195 32.400 32.600 -0.007 0.000 1.361 63 M HN 0.141 nan 8.290 nan 0.000 0.408 64 R N 0.217 120.693 120.500 -0.040 0.000 2.083 64 R HA -0.175 4.175 4.340 0.016 0.000 0.237 64 R C 1.620 177.869 176.300 -0.086 0.000 1.137 64 R CA 1.927 57.955 56.100 -0.120 0.000 0.951 64 R CB -0.457 29.745 30.300 -0.164 0.000 0.851 64 R HN 0.464 nan 8.270 nan 0.000 0.434 65 D N -0.027 120.344 120.400 -0.049 0.000 2.178 65 D HA -0.133 4.517 4.640 0.016 0.000 0.201 65 D C 1.951 178.253 176.300 0.004 0.000 0.980 65 D CA 0.974 54.956 54.000 -0.031 0.000 0.842 65 D CB -0.011 40.770 40.800 -0.032 0.000 0.948 65 D HN 0.190 nan 8.370 nan 0.000 0.472 66 Q N -0.177 119.636 119.800 0.021 0.000 2.245 66 Q HA 0.077 4.427 4.340 0.016 0.000 0.201 66 Q C 2.475 178.583 176.000 0.180 0.000 0.955 66 Q CA 0.250 56.104 55.803 0.084 0.000 0.870 66 Q CB 0.009 28.786 28.738 0.065 0.000 0.945 66 Q HN 0.363 nan 8.270 nan 0.000 0.461 67 L N 0.402 121.680 121.223 0.091 0.000 2.179 67 L HA -0.086 4.264 4.340 0.016 0.000 0.208 67 L C 2.338 179.328 176.870 0.201 0.000 1.096 67 L CA 0.742 55.663 54.840 0.135 0.000 0.779 67 L CB -0.198 41.835 42.059 -0.044 0.000 0.922 67 L HN 0.111 nan 8.230 nan 0.000 0.443 68 K N 0.195 120.639 120.400 0.073 0.000 2.059 68 K HA -0.215 4.115 4.320 0.016 0.000 0.212 68 K C -0.414 176.222 176.600 0.060 0.000 1.050 68 K CA 1.826 58.133 56.287 0.034 0.000 0.927 68 K CB -1.258 31.229 32.500 -0.021 0.000 0.714 68 K HN 0.262 nan 8.250 nan 0.000 0.447 69 P HA -0.144 nan 4.420 nan 0.000 0.221 69 P C 0.821 178.063 177.300 -0.097 0.000 1.145 69 P CA 1.188 64.257 63.100 -0.051 0.000 0.795 69 P CB -0.046 31.586 31.700 -0.113 0.000 0.775 70 F N -0.471 119.485 119.950 0.009 0.000 2.407 70 F HA -0.083 4.455 4.527 0.019 0.000 0.299 70 F C 2.096 177.896 175.800 -0.001 0.000 1.097 70 F CA 1.669 59.680 58.000 0.018 0.000 1.422 70 F CB -1.021 38.056 39.000 0.128 0.000 1.067 70 F HN 0.018 nan 8.300 nan 0.000 0.539 71 T N -3.844 110.801 114.554 0.151 0.000 3.040 71 T HA 0.162 4.521 4.350 0.016 0.000 0.250 71 T C 0.548 175.259 174.700 0.019 0.000 1.058 71 T CA -0.222 61.924 62.100 0.077 0.000 0.988 71 T CB -0.240 68.664 68.868 0.060 0.000 0.993 71 T HN 0.060 nan 8.240 nan 0.000 0.519 72 E N 2.638 122.836 120.200 -0.004 0.000 2.390 72 E HA 0.293 4.653 4.350 0.016 0.000 0.261 72 E C -2.454 174.122 176.600 -0.040 0.000 1.076 72 E CA -2.009 54.374 56.400 -0.029 0.000 0.905 72 E CB 0.197 29.870 29.700 -0.044 0.000 0.984 72 E HN 0.225 nan 8.360 nan 0.000 0.427 73 P HA -0.047 nan 4.420 nan 0.000 0.265 73 P C -0.616 176.649 177.300 -0.059 0.000 1.187 73 P CA 0.259 63.335 63.100 -0.041 0.000 0.766 73 P CB 0.504 32.183 31.700 -0.035 0.000 0.820 74 R N 1.653 122.117 120.500 -0.061 0.000 2.679 74 R HA 0.346 4.696 4.340 0.016 0.000 0.269 74 R C 1.188 177.451 176.300 -0.061 0.000 1.076 74 R CA -0.097 55.955 56.100 -0.080 0.000 1.160 74 R CB -0.169 30.082 30.300 -0.081 0.000 1.054 74 R HN 0.612 nan 8.270 nan 0.000 0.507 75 G N 0.975 109.737 108.800 -0.063 0.000 2.631 75 G HA2 0.043 4.012 3.960 0.016 0.000 0.271 75 G HA3 0.043 4.012 3.960 0.016 0.000 0.271 75 G C -0.469 174.429 174.900 -0.003 0.000 1.302 75 G CA -0.521 44.564 45.100 -0.025 0.000 1.002 75 G HN 0.331 nan 8.290 nan 0.000 0.519 76 K N 1.639 122.062 120.400 0.039 0.000 2.368 76 K HA 0.157 4.487 4.320 0.016 0.000 0.282 76 K C -2.076 174.572 176.600 0.079 0.000 1.035 76 K CA -1.095 55.227 56.287 0.057 0.000 0.973 76 K CB 0.980 33.525 32.500 0.074 0.000 0.957 76 K HN 0.254 nan 8.250 nan 0.000 0.474 77 P HA 0.101 nan 4.420 nan 0.000 0.271 77 P C -2.571 174.695 177.300 -0.058 0.000 1.216 77 P CA -1.385 61.674 63.100 -0.069 0.000 0.776 77 P CB -0.098 31.561 31.700 -0.067 0.000 0.881 78 P HA 0.050 nan 4.420 nan 0.000 0.266 78 P C 0.139 177.409 177.300 -0.049 0.000 1.195 78 P CA 0.100 63.079 63.100 -0.203 0.000 0.768 78 P CB 0.246 31.660 31.700 -0.478 0.000 0.838 79 K N 5.072 125.494 120.400 0.036 0.000 2.477 79 K HA -0.106 4.224 4.320 0.016 0.000 0.275 79 K C -1.474 175.122 176.600 -0.007 0.000 1.054 79 K CA -0.541 55.760 56.287 0.023 0.000 1.135 79 K CB -0.103 32.423 32.500 0.045 0.000 0.854 79 K HN 0.304 nan 8.250 nan 0.000 0.484 80 P HA -0.261 nan 4.420 nan 0.000 0.217 80 P C 1.095 178.386 177.300 -0.015 0.000 1.151 80 P CA 1.680 64.767 63.100 -0.021 0.000 0.849 80 P CB 0.144 31.835 31.700 -0.016 0.000 0.787 81 S N -0.944 114.754 115.700 -0.004 0.000 2.383 81 S HA -0.124 4.356 4.470 0.016 0.000 0.227 81 S C 1.996 176.598 174.600 0.004 0.000 1.026 81 S CA 1.449 59.649 58.200 0.001 0.000 0.981 81 S CB -1.839 61.365 63.200 0.007 0.000 0.818 81 S HN 0.159 nan 8.310 nan 0.000 0.472 82 V N -0.361 119.558 119.914 0.009 0.000 2.591 82 V HA 0.121 4.251 4.120 0.016 0.000 0.249 82 V C 2.261 178.352 176.094 -0.004 0.000 1.053 82 V CA 1.178 63.488 62.300 0.018 0.000 1.068 82 V CB -0.947 30.903 31.823 0.045 0.000 0.689 82 V HN 0.402 nan 8.190 nan 0.000 0.462 83 L N 1.163 122.367 121.223 -0.031 0.000 2.056 83 L HA -0.022 4.328 4.340 0.016 0.000 0.207 83 L C 2.514 179.355 176.870 -0.048 0.000 1.078 83 L CA 2.567 57.372 54.840 -0.059 0.000 0.749 83 L CB -0.887 41.120 42.059 -0.086 0.000 0.901 83 L HN 0.547 nan 8.230 nan 0.000 0.433 84 E N -0.153 120.027 120.200 -0.034 0.000 2.077 84 E HA -0.167 4.192 4.350 0.016 0.000 0.193 84 E C 2.086 178.672 176.600 -0.024 0.000 0.989 84 E CA 1.488 57.870 56.400 -0.029 0.000 0.800 84 E CB -0.336 29.352 29.700 -0.020 0.000 0.746 84 E HN 0.529 nan 8.360 nan 0.000 0.452 85 A N 0.815 123.628 122.820 -0.012 0.000 1.902 85 A HA -0.047 4.283 4.320 0.016 0.000 0.217 85 A C 2.461 180.039 177.584 -0.010 0.000 1.181 85 A CA 2.090 54.126 52.037 -0.002 0.000 0.623 85 A CB -1.071 17.938 19.000 0.015 0.000 0.818 85 A HN 0.401 nan 8.150 nan 0.000 0.443 86 A N -0.247 122.562 122.820 -0.019 0.000 1.902 86 A HA -0.168 4.161 4.320 0.016 0.000 0.217 86 A C 2.143 179.658 177.584 -0.115 0.000 1.181 86 A CA 1.994 54.005 52.037 -0.043 0.000 0.623 86 A CB -0.469 18.509 19.000 -0.037 0.000 0.818 86 A HN 0.564 nan 8.150 nan 0.000 0.443 87 K N -0.077 120.263 120.400 -0.100 0.000 2.009 87 K HA -0.191 4.138 4.320 0.016 0.000 0.210 87 K C 2.062 178.606 176.600 -0.094 0.000 1.049 87 K CA 1.831 58.052 56.287 -0.111 0.000 0.929 87 K CB -0.241 32.218 32.500 -0.069 0.000 0.714 87 K HN 0.404 nan 8.250 nan 0.000 0.440 88 K N -0.191 120.178 120.400 -0.052 0.000 2.103 88 K HA -0.116 4.214 4.320 0.016 0.000 0.207 88 K C 2.084 178.667 176.600 -0.029 0.000 1.048 88 K CA 1.929 58.201 56.287 -0.026 0.000 0.930 88 K CB -0.108 32.385 32.500 -0.011 0.000 0.716 88 K HN 0.263 nan 8.250 nan 0.000 0.444 89 T N 1.583 116.110 114.554 -0.046 0.000 2.708 89 T HA -0.113 4.246 4.350 0.016 0.000 0.266 89 T C 1.860 176.494 174.700 -0.109 0.000 1.037 89 T CA 1.193 63.272 62.100 -0.034 0.000 1.146 89 T CB -0.154 68.718 68.868 0.007 0.000 0.865 89 T HN 0.150 nan 8.240 nan 0.000 0.435 90 I N 0.514 120.899 120.570 -0.309 0.000 2.226 90 I HA -0.144 4.036 4.170 0.016 0.000 0.245 90 I C 2.264 178.211 176.117 -0.284 0.000 1.100 90 I CA 1.292 62.218 61.300 -0.623 0.000 1.374 90 I CB -0.439 36.973 38.000 -0.980 0.000 1.057 90 I HN 0.217 nan 8.210 nan 0.000 0.413 91 I N 0.985 121.503 120.570 -0.087 0.000 2.208 91 I HA -0.347 3.833 4.170 0.016 0.000 0.245 91 I C 2.072 178.286 176.117 0.161 0.000 1.097 91 I CA 1.970 63.369 61.300 0.164 0.000 1.363 91 I CB -0.578 37.525 38.000 0.173 0.000 1.051 91 I HN 0.324 nan 8.210 nan 0.000 0.413 92 N N -0.050 118.690 118.700 0.068 0.000 2.084 92 N HA -0.152 4.598 4.740 0.016 0.000 0.190 92 N C 1.858 177.400 175.510 0.054 0.000 1.030 92 N CA 1.198 54.289 53.050 0.068 0.000 0.849 92 N CB -0.105 38.411 38.487 0.048 0.000 1.012 92 N HN 0.056 nan 8.380 nan 0.000 0.423 93 V N 1.708 121.651 119.914 0.048 0.000 2.282 93 V HA -0.246 3.884 4.120 0.016 0.000 0.249 93 V C 2.175 178.279 176.094 0.016 0.000 1.057 93 V CA 1.577 63.930 62.300 0.088 0.000 1.032 93 V CB -0.636 31.348 31.823 0.269 0.000 0.645 93 V HN 0.324 nan 8.190 nan 0.000 0.447 94 L N -0.598 120.571 121.223 -0.090 0.000 2.056 94 L HA -0.182 4.168 4.340 0.016 0.000 0.207 94 L C 2.566 179.296 176.870 -0.233 0.000 1.078 94 L CA 1.624 56.272 54.840 -0.320 0.000 0.749 94 L CB -0.686 40.855 42.059 -0.863 0.000 0.901 94 L HN 0.377 nan 8.230 nan 0.000 0.433 95 E N -0.056 120.150 120.200 0.010 0.000 2.118 95 E HA -0.269 4.091 4.350 0.016 0.000 0.195 95 E C 2.149 178.781 176.600 0.052 0.000 0.992 95 E CA 1.156 57.654 56.400 0.162 0.000 0.804 95 E CB -0.019 29.807 29.700 0.211 0.000 0.741 95 E HN 0.551 nan 8.360 nan 0.000 0.458 96 Q N -0.813 118.995 119.800 0.013 0.000 2.435 96 Q HA -0.021 4.329 4.340 0.016 0.000 0.207 96 Q C 1.318 177.285 176.000 -0.054 0.000 0.956 96 Q CA 1.002 56.802 55.803 -0.005 0.000 0.917 96 Q CB 0.559 29.302 28.738 0.008 0.000 0.997 96 Q HN 0.174 nan 8.270 nan 0.000 0.497 97 T N 0.101 114.583 114.554 -0.119 0.000 3.138 97 T HA 0.188 4.548 4.350 0.016 0.000 0.245 97 T C 0.827 175.229 174.700 -0.497 0.000 0.982 97 T CA -0.104 61.844 62.100 -0.252 0.000 1.134 97 T CB 0.268 69.002 68.868 -0.223 0.000 1.032 97 T HN 0.232 nan 8.240 nan 0.000 0.442 98 I N 1.092 121.429 120.570 -0.388 0.000 2.664 98 I HA 0.593 4.773 4.170 0.016 0.000 0.308 98 I C -0.989 175.086 176.117 -0.071 0.000 0.984 98 I CA -1.079 60.015 61.300 -0.343 0.000 1.213 98 I CB 1.112 39.003 38.000 -0.183 0.000 1.379 98 I HN -0.022 nan 8.210 nan 0.000 0.501 99 D N 2.698 123.135 120.400 0.062 0.000 2.442 99 D HA 0.448 5.097 4.640 0.016 0.000 0.254 99 D C -2.661 173.715 176.300 0.127 0.000 1.069 99 D CA -1.855 52.208 54.000 0.104 0.000 1.017 99 D CB -0.015 40.862 40.800 0.127 0.000 1.172 99 D HN 0.345 nan 8.370 nan 0.000 0.561 100 P HA 0.160 nan 4.420 nan 0.000 0.267 100 P C -2.228 175.148 177.300 0.127 0.000 1.209 100 P CA -0.578 62.597 63.100 0.126 0.000 0.763 100 P CB -0.315 31.446 31.700 0.102 0.000 0.816 101 P HA 0.155 nan 4.420 nan 0.000 0.277 101 P C -0.567 176.815 177.300 0.136 0.000 1.240 101 P CA -0.173 63.004 63.100 0.127 0.000 0.798 101 P CB 0.757 32.518 31.700 0.103 0.000 0.979 102 D N 1.371 121.876 120.400 0.176 0.000 2.399 102 D HA 0.092 4.742 4.640 0.016 0.000 0.241 102 D C 0.476 176.932 176.300 0.261 0.000 1.133 102 D CA 0.284 54.417 54.000 0.222 0.000 0.890 102 D CB 0.608 41.577 40.800 0.282 0.000 1.201 102 D HN 0.224 nan 8.370 nan 0.000 0.432 103 K N 0.917 121.461 120.400 0.240 0.000 2.326 103 K HA 0.140 4.469 4.320 0.016 0.000 0.275 103 K C -0.455 176.409 176.600 0.440 0.000 1.018 103 K CA -0.234 56.210 56.287 0.262 0.000 0.962 103 K CB 0.693 33.309 32.500 0.194 0.000 0.953 103 K HN 0.302 nan 8.250 nan 0.000 0.475 104 W N 1.970 123.297 121.300 0.045 0.000 2.417 104 W HA 0.181 4.847 4.660 0.009 0.000 0.315 104 W C 0.365 176.908 176.519 0.041 0.000 1.045 104 W CA -0.911 56.450 57.345 0.025 0.000 1.221 104 W CB 0.989 30.442 29.460 -0.012 0.000 1.309 104 W HN 0.589 nan 8.180 nan 0.000 0.453 105 S N 2.197 118.013 115.700 0.195 0.000 2.608 105 S HA 0.114 4.593 4.470 0.016 0.000 0.261 105 S C 0.937 175.660 174.600 0.205 0.000 1.314 105 S CA -0.345 57.964 58.200 0.181 0.000 0.992 105 S CB 0.577 63.847 63.200 0.117 0.000 0.935 105 S HN 0.396 nan 8.310 nan 0.000 0.564 106 F N 1.677 121.677 119.950 0.085 0.000 2.120 106 F HA -0.073 4.469 4.527 0.024 0.000 0.300 106 F C 2.442 178.297 175.800 0.090 0.000 1.095 106 F CA 1.632 59.685 58.000 0.088 0.000 1.249 106 F CB -1.219 37.840 39.000 0.098 0.000 0.995 106 F HN 0.744 nan 8.300 nan 0.000 0.480 107 A N -0.122 122.685 122.820 -0.022 0.000 1.877 107 A HA -0.242 4.087 4.320 0.016 0.000 0.216 107 A C 2.157 179.655 177.584 -0.145 0.000 1.186 107 A CA 1.863 53.822 52.037 -0.131 0.000 0.620 107 A CB -0.908 18.069 19.000 -0.039 0.000 0.822 107 A HN 0.593 nan 8.150 nan 0.000 0.443 108 Q N -0.676 119.038 119.800 -0.143 0.000 2.084 108 Q HA -0.076 4.274 4.340 0.016 0.000 0.202 108 Q C 2.442 178.277 176.000 -0.274 0.000 0.978 108 Q CA 1.378 57.003 55.803 -0.298 0.000 0.844 108 Q CB -0.402 28.060 28.738 -0.460 0.000 0.898 108 Q HN 0.686 nan 8.270 nan 0.000 0.426 109 A N 0.306 123.094 122.820 -0.053 0.000 1.877 109 A HA -0.215 4.114 4.320 0.016 0.000 0.216 109 A C 2.320 179.913 177.584 0.015 0.000 1.186 109 A CA 1.464 53.571 52.037 0.117 0.000 0.620 109 A CB -1.032 18.063 19.000 0.157 0.000 0.822 109 A HN 0.517 nan 8.150 nan 0.000 0.443 110 C N -1.020 118.220 119.300 -0.101 0.000 2.425 110 C HA 0.079 4.549 4.460 0.016 0.000 0.277 110 C C 3.311 178.151 174.990 -0.250 0.000 1.280 110 C CA 0.674 59.639 59.018 -0.088 0.000 1.744 110 C CB -1.387 26.256 27.740 -0.160 0.000 1.989 110 C HN 0.702 nan 8.230 nan 0.000 0.491 111 A N 1.321 124.058 122.820 -0.138 0.000 1.933 111 A HA -0.166 4.164 4.320 0.016 0.000 0.218 111 A C 2.295 179.754 177.584 -0.207 0.000 1.175 111 A CA 2.284 54.240 52.037 -0.135 0.000 0.628 111 A CB -0.805 18.152 19.000 -0.072 0.000 0.814 111 A HN 0.717 nan 8.150 nan 0.000 0.444 112 S N -0.397 115.210 115.700 -0.155 0.000 2.423 112 S HA 0.098 4.578 4.470 0.016 0.000 0.231 112 S C 0.780 175.359 174.600 -0.035 0.000 1.014 112 S CA 0.114 58.275 58.200 -0.064 0.000 0.965 112 S CB -0.759 62.490 63.200 0.082 0.000 0.785 112 S HN 0.398 nan 8.310 nan 0.000 0.495 113 L N 2.237 123.411 121.223 -0.081 0.000 2.439 113 L HA 0.301 4.651 4.340 0.016 0.000 0.269 113 L C 0.357 177.151 176.870 -0.126 0.000 1.179 113 L CA -0.474 54.335 54.840 -0.051 0.000 0.828 113 L CB 0.091 42.160 42.059 0.017 0.000 1.106 113 L HN 0.148 nan 8.230 nan 0.000 0.467 114 D N 2.113 122.482 120.400 -0.053 0.000 2.339 114 D HA 0.013 4.663 4.640 0.016 0.000 0.256 114 D C 0.519 176.767 176.300 -0.087 0.000 1.214 114 D CA -0.098 53.865 54.000 -0.060 0.000 0.877 114 D CB 1.008 41.807 40.800 -0.000 0.000 1.111 114 D HN 0.286 nan 8.370 nan 0.000 0.478 115 K N 1.918 122.222 120.400 -0.159 0.000 2.459 115 K HA -0.010 4.319 4.320 0.016 0.000 0.193 115 K C 1.627 178.201 176.600 -0.044 0.000 1.030 115 K CA 0.409 56.598 56.287 -0.164 0.000 1.026 115 K CB -0.244 32.051 32.500 -0.342 0.000 0.809 115 K HN 0.544 nan 8.250 nan 0.000 0.504 116 T N -1.634 112.905 114.554 -0.024 0.000 3.088 116 T HA -0.010 4.349 4.350 0.016 0.000 0.259 116 T C 1.094 175.809 174.700 0.025 0.000 1.122 116 T CA 0.216 62.319 62.100 0.006 0.000 1.095 116 T CB -0.272 68.598 68.868 0.004 0.000 0.930 116 T HN 0.205 nan 8.240 nan 0.000 0.508 117 T N -0.588 113.984 114.554 0.030 0.000 2.937 117 T HA 0.610 4.969 4.350 0.016 0.000 0.283 117 T C 0.067 174.803 174.700 0.060 0.000 1.012 117 T CA -0.757 61.372 62.100 0.049 0.000 0.997 117 T CB 1.532 70.433 68.868 0.055 0.000 1.136 117 T HN 0.094 nan 8.240 nan 0.000 0.551 118 S N 0.007 115.752 115.700 0.075 0.000 2.579 118 S HA 0.213 4.692 4.470 0.016 0.000 0.275 118 S C 1.539 176.180 174.600 0.069 0.000 1.345 118 S CA -0.131 58.121 58.200 0.088 0.000 1.031 118 S CB 0.172 63.445 63.200 0.122 0.000 0.892 118 S HN 0.955 nan 8.310 nan 0.000 0.529 119 S N 3.401 119.130 115.700 0.048 0.000 2.561 119 S HA 0.317 4.796 4.470 0.016 0.000 0.225 119 S C 1.351 175.936 174.600 -0.025 0.000 0.977 119 S CA 0.367 58.562 58.200 -0.008 0.000 0.926 119 S CB -1.285 61.896 63.200 -0.031 0.000 0.769 119 S HN 1.734 nan 8.310 nan 0.000 0.533 120 G N 1.529 110.340 108.800 0.018 0.000 2.569 120 G HA2 -0.325 3.645 3.960 0.016 0.000 0.259 120 G HA3 -0.325 3.645 3.960 0.016 0.000 0.259 120 G C -0.246 174.451 174.900 -0.338 0.000 1.263 120 G CA 0.230 45.336 45.100 0.010 0.000 0.928 120 G HN 0.927 nan 8.290 nan 0.000 0.572 121 H N 2.861 121.728 119.070 -0.339 0.000 2.815 121 H HA 0.416 4.974 4.556 0.003 0.000 0.350 121 H C -0.891 174.205 175.328 -0.386 0.000 1.080 121 H CA -0.253 55.528 56.048 -0.445 0.000 1.433 121 H CB 1.426 31.086 29.762 -0.171 0.000 1.432 121 H HN 0.274 nan 8.280 nan 0.000 0.592 122 P HA 0.029 nan 4.420 nan 0.000 0.267 122 P C 0.282 177.036 177.300 -0.911 0.000 1.289 122 P CA 0.650 62.946 63.100 -1.340 0.000 0.866 122 P CB 0.566 31.488 31.700 -1.296 0.000 1.309 123 H N -1.082 117.703 119.070 -0.474 0.000 2.520 123 H HA 0.097 4.654 4.556 0.001 0.000 0.279 123 H C 0.341 175.606 175.328 -0.105 0.000 0.990 123 H CA 0.478 56.391 56.048 -0.225 0.000 1.288 123 H CB -0.494 29.182 29.762 -0.143 0.000 1.446 123 H HN 0.255 nan 8.280 nan 0.000 0.538 124 H N -0.440 118.660 119.070 0.051 0.000 2.713 124 H HA -0.142 4.430 4.556 0.026 0.000 0.311 124 H C 0.105 175.466 175.328 0.054 0.000 1.175 124 H CA 0.787 56.861 56.048 0.043 0.000 1.143 124 H CB -2.186 27.590 29.762 0.024 0.000 1.434 124 H HN 0.367 nan 8.280 nan 0.000 0.418 125 M N 0.085 119.761 119.600 0.127 0.000 2.472 125 M HA 0.286 4.776 4.480 0.016 0.000 0.331 125 M C 1.099 177.454 176.300 0.091 0.000 1.170 125 M CA -0.620 54.741 55.300 0.102 0.000 1.009 125 M CB 2.407 35.056 32.600 0.081 0.000 1.672 125 M HN 0.083 nan 8.290 nan 0.000 0.453 126 R N 1.946 122.497 120.500 0.085 0.000 2.480 126 R HA -0.010 4.340 4.340 0.016 0.000 0.303 126 R C 0.635 176.996 176.300 0.101 0.000 0.985 126 R CA 0.523 56.672 56.100 0.081 0.000 1.051 126 R CB 0.525 30.867 30.300 0.070 0.000 0.935 126 R HN 0.682 nan 8.270 nan 0.000 0.410 127 K N 2.669 123.134 120.400 0.108 0.000 2.103 127 K HA -0.247 4.083 4.320 0.016 0.000 0.207 127 K C 1.488 178.222 176.600 0.224 0.000 1.048 127 K CA 1.615 58.014 56.287 0.186 0.000 0.930 127 K CB -0.132 32.482 32.500 0.191 0.000 0.716 127 K HN 0.657 nan 8.250 nan 0.000 0.444 128 N N 0.961 119.742 118.700 0.134 0.000 2.520 128 N HA -0.129 4.621 4.740 0.016 0.000 0.185 128 N C 0.411 176.026 175.510 0.176 0.000 1.068 128 N CA 0.601 53.749 53.050 0.162 0.000 0.911 128 N CB 0.152 38.696 38.487 0.095 0.000 0.961 128 N HN 0.146 nan 8.380 nan 0.000 0.446 129 D N -0.680 119.809 120.400 0.148 0.000 2.355 129 D HA 0.065 4.714 4.640 0.016 0.000 0.218 129 D C 0.084 176.466 176.300 0.136 0.000 1.004 129 D CA 0.484 54.555 54.000 0.118 0.000 0.880 129 D CB 0.157 41.010 40.800 0.088 0.000 0.911 129 D HN 0.193 nan 8.370 nan 0.000 0.528 130 C N 1.103 120.531 119.300 0.213 0.000 3.206 130 C HA 0.260 4.730 4.460 0.016 0.000 0.206 130 C C -0.873 174.356 174.990 0.397 0.000 1.836 130 C CA -1.076 58.087 59.018 0.242 0.000 1.382 130 C CB 0.080 27.944 27.740 0.207 0.000 2.405 130 C HN 0.300 nan 8.230 nan 0.000 0.516 131 W N 3.058 124.384 121.300 0.044 0.000 2.968 131 W HA 0.273 4.938 4.660 0.008 0.000 0.337 131 W C -0.402 176.067 176.519 -0.083 0.000 1.060 131 W CA -0.385 56.912 57.345 -0.081 0.000 1.240 131 W CB 1.283 30.659 29.460 -0.139 0.000 1.370 131 W HN 0.523 nan 8.180 nan 0.000 0.459 132 N N 3.312 121.610 118.700 -0.670 0.000 2.280 132 N HA 0.214 4.964 4.740 0.016 0.000 0.192 132 N C 1.128 176.221 175.510 -0.695 0.000 1.109 132 N CA 0.922 53.655 53.050 -0.529 0.000 0.855 132 N CB 0.610 38.884 38.487 -0.355 0.000 0.974 132 N HN 0.774 nan 8.380 nan 0.000 0.482 133 G N 0.527 108.508 108.800 -1.364 0.000 2.278 133 G HA2 -0.294 3.676 3.960 0.016 0.000 0.210 133 G HA3 -0.294 3.676 3.960 0.016 0.000 0.210 133 G C 0.695 175.111 174.900 -0.806 0.000 1.000 133 G CA 0.371 44.992 45.100 -0.799 0.000 0.635 133 G HN 0.577 nan 8.290 nan 0.000 0.495 134 E N -0.526 119.026 120.200 -1.080 0.000 2.444 134 E HA 0.410 4.770 4.350 0.016 0.000 0.209 134 E C 0.878 176.971 176.600 -0.846 0.000 0.806 134 E CA 0.818 56.795 56.400 -0.704 0.000 1.240 134 E CB 0.596 30.084 29.700 -0.353 0.000 1.238 134 E HN 0.989 nan 8.360 nan 0.000 0.591 135 S N -0.086 114.992 115.700 -1.037 0.000 2.595 135 S HA 0.588 5.068 4.470 0.016 0.000 0.281 135 S C -0.708 173.622 174.600 -0.451 0.000 1.117 135 S CA -0.959 56.909 58.200 -0.553 0.000 0.873 135 S CB 0.902 63.992 63.200 -0.182 0.000 1.108 135 S HN 0.082 nan 8.310 nan 0.000 0.477 136 F N 2.118 122.157 119.950 0.149 0.000 2.459 136 F HA 0.492 5.038 4.527 0.032 0.000 0.346 136 F C 1.583 177.438 175.800 0.091 0.000 1.128 136 F CA 0.287 58.431 58.000 0.240 0.000 1.268 136 F CB 1.141 40.294 39.000 0.255 0.000 1.161 136 F HN 0.868 nan 8.300 nan 0.000 0.583 137 T N -0.793 113.931 114.554 0.283 0.000 2.926 137 T HA 0.752 5.112 4.350 0.016 0.000 0.289 137 T C 0.436 175.198 174.700 0.102 0.000 1.054 137 T CA -0.336 61.843 62.100 0.132 0.000 1.015 137 T CB 1.378 70.281 68.868 0.060 0.000 1.167 137 T HN 1.181 nan 8.240 nan 0.000 0.526 138 G N 1.576 110.403 108.800 0.045 0.000 2.611 138 G HA2 -0.341 3.629 3.960 0.016 0.000 0.301 138 G HA3 -0.341 3.629 3.960 0.016 0.000 0.301 138 G C 0.769 175.642 174.900 -0.044 0.000 1.233 138 G CA 0.695 45.794 45.100 -0.002 0.000 0.993 138 G HN 0.945 nan 8.290 nan 0.000 0.553 139 K N 0.068 120.383 120.400 -0.142 0.000 2.148 139 K HA 0.173 4.502 4.320 0.016 0.000 0.204 139 K C 2.658 179.079 176.600 -0.298 0.000 1.050 139 K CA 1.301 57.396 56.287 -0.320 0.000 0.942 139 K CB -0.198 31.896 32.500 -0.676 0.000 0.724 139 K HN 0.405 nan 8.250 nan 0.000 0.446 140 L N 0.301 121.418 121.223 -0.177 0.000 2.217 140 L HA -0.103 4.247 4.340 0.016 0.000 0.211 140 L C 2.519 179.386 176.870 -0.005 0.000 1.107 140 L CA 0.706 55.478 54.840 -0.112 0.000 0.783 140 L CB -0.584 41.433 42.059 -0.070 0.000 0.919 140 L HN 0.196 nan 8.230 nan 0.000 0.442 141 A N 0.152 123.038 122.820 0.110 0.000 1.902 141 A HA -0.277 4.053 4.320 0.016 0.000 0.217 141 A C 1.967 179.627 177.584 0.128 0.000 1.181 141 A CA 2.096 54.249 52.037 0.192 0.000 0.623 141 A CB -0.533 18.564 19.000 0.162 0.000 0.818 141 A HN 0.387 nan 8.150 nan 0.000 0.443 142 D N -1.040 119.393 120.400 0.056 0.000 2.117 142 D HA -0.195 4.455 4.640 0.016 0.000 0.198 142 D C 2.118 178.449 176.300 0.051 0.000 0.982 142 D CA 1.618 55.644 54.000 0.043 0.000 0.828 142 D CB -0.195 40.619 40.800 0.024 0.000 0.967 142 D HN 0.595 nan 8.370 nan 0.000 0.464 143 Q N -0.442 119.388 119.800 0.050 0.000 2.050 143 Q HA -0.138 4.212 4.340 0.016 0.000 0.202 143 Q C 2.075 178.102 176.000 0.045 0.000 0.980 143 Q CA 1.608 57.440 55.803 0.048 0.000 0.840 143 Q CB -0.229 28.542 28.738 0.054 0.000 0.898 143 Q HN 0.301 nan 8.270 nan 0.000 0.424 144 A N -0.017 122.843 122.820 0.067 0.000 1.902 144 A HA -0.182 4.148 4.320 0.016 0.000 0.217 144 A C 2.253 179.976 177.584 0.232 0.000 1.181 144 A CA 1.879 54.050 52.037 0.225 0.000 0.623 144 A CB -0.692 18.545 19.000 0.396 0.000 0.818 144 A HN 0.424 nan 8.150 nan 0.000 0.443 145 S N -0.708 115.059 115.700 0.110 0.000 2.355 145 S HA -0.140 4.340 4.470 0.016 0.000 0.222 145 S C 2.023 176.562 174.600 -0.102 0.000 1.031 145 S CA 1.560 59.696 58.200 -0.107 0.000 0.993 145 S CB -0.234 62.943 63.200 -0.039 0.000 0.859 145 S HN 0.668 nan 8.310 nan 0.000 0.453 146 K N 1.350 121.737 120.400 -0.021 0.000 2.057 146 K HA -0.075 4.255 4.320 0.016 0.000 0.207 146 K C 2.228 178.829 176.600 0.001 0.000 1.049 146 K CA 1.187 57.468 56.287 -0.010 0.000 0.931 146 K CB -0.355 32.151 32.500 0.010 0.000 0.714 146 K HN 0.290 nan 8.250 nan 0.000 0.440 147 A N 1.342 124.178 122.820 0.026 0.000 1.908 147 A HA -0.246 4.084 4.320 0.016 0.000 0.218 147 A C 1.904 179.531 177.584 0.073 0.000 1.181 147 A CA 2.099 54.169 52.037 0.056 0.000 0.627 147 A CB -0.901 18.145 19.000 0.076 0.000 0.818 147 A HN 0.501 nan 8.150 nan 0.000 0.445 148 N N -0.090 118.614 118.700 0.007 0.000 2.084 148 N HA -0.090 4.660 4.740 0.016 0.000 0.190 148 N C 1.546 177.065 175.510 0.016 0.000 1.030 148 N CA 1.692 54.719 53.050 -0.038 0.000 0.849 148 N CB -0.370 37.802 38.487 -0.525 0.000 1.012 148 N HN 0.476 nan 8.380 nan 0.000 0.423 149 L N -0.376 120.819 121.223 -0.047 0.000 2.093 149 L HA -0.099 4.251 4.340 0.016 0.000 0.208 149 L C 2.257 179.132 176.870 0.008 0.000 1.085 149 L CA 0.673 55.498 54.840 -0.026 0.000 0.755 149 L CB -0.374 41.658 42.059 -0.045 0.000 0.904 149 L HN 0.262 nan 8.230 nan 0.000 0.435 150 M N -0.931 118.686 119.600 0.029 0.000 2.117 150 M HA -0.224 4.266 4.480 0.016 0.000 0.262 150 M C 2.396 178.726 176.300 0.050 0.000 1.065 150 M CA 1.790 57.109 55.300 0.032 0.000 1.114 150 M CB -1.169 31.455 32.600 0.039 0.000 1.361 150 M HN 0.204 nan 8.290 nan 0.000 0.408 151 F N 1.838 121.765 119.950 -0.038 0.000 2.075 151 F HA -0.179 4.346 4.527 -0.004 0.000 0.297 151 F C 2.184 177.953 175.800 -0.053 0.000 1.113 151 F CA 1.790 59.760 58.000 -0.050 0.000 1.218 151 F CB -0.326 38.653 39.000 -0.035 0.000 0.984 151 F HN 0.229 nan 8.300 nan 0.000 0.472 152 E N -0.250 119.895 120.200 -0.092 0.000 2.204 152 E HA -0.196 4.164 4.350 0.016 0.000 0.194 152 E C 1.736 178.233 176.600 -0.171 0.000 0.989 152 E CA 1.362 57.656 56.400 -0.176 0.000 0.824 152 E CB -0.215 29.484 29.700 -0.001 0.000 0.756 152 E HN 0.614 nan 8.360 nan 0.000 0.477 153 E N -0.450 119.681 120.200 -0.116 0.000 2.479 153 E HA 0.072 4.432 4.350 0.016 0.000 0.193 153 E C 0.627 177.167 176.600 -0.100 0.000 1.049 153 E CA 0.177 56.526 56.400 -0.085 0.000 0.870 153 E CB 0.638 30.309 29.700 -0.048 0.000 0.944 153 E HN 0.293 nan 8.360 nan 0.000 0.492 154 G N 2.457 111.161 108.800 -0.161 0.000 2.273 154 G HA2 -0.323 3.647 3.960 0.016 0.000 0.280 154 G HA3 -0.323 3.647 3.960 0.016 0.000 0.280 154 G C -0.192 174.662 174.900 -0.077 0.000 1.047 154 G CA 0.405 45.416 45.100 -0.148 0.000 0.869 154 G HN 0.119 nan 8.290 nan 0.000 0.502 155 K N -0.182 120.186 120.400 -0.053 0.000 2.164 155 K HA 0.355 4.685 4.320 0.016 0.000 0.258 155 K C 0.279 176.876 176.600 -0.006 0.000 0.951 155 K CA -0.854 55.419 56.287 -0.024 0.000 0.844 155 K CB 0.885 33.375 32.500 -0.016 0.000 1.099 155 K HN 0.275 nan 8.250 nan 0.000 0.435 156 N N 1.918 120.617 118.700 -0.002 0.000 2.518 156 N HA 0.184 4.934 4.740 0.016 0.000 0.266 156 N C -0.609 174.909 175.510 0.013 0.000 1.196 156 N CA 0.483 53.538 53.050 0.008 0.000 0.947 156 N CB 0.538 39.030 38.487 0.008 0.000 1.098 156 N HN 0.252 nan 8.380 nan 0.000 0.450 157 M N 0.522 120.133 119.600 0.018 0.000 2.518 157 M HA 0.282 4.771 4.480 0.016 0.000 0.300 157 M C -0.846 175.459 176.300 0.008 0.000 1.175 157 M CA -0.758 54.550 55.300 0.014 0.000 0.890 157 M CB 2.265 34.875 32.600 0.017 0.000 1.710 157 M HN 0.359 nan 8.290 nan 0.000 0.453 158 T N 3.244 117.797 114.554 -0.001 0.000 2.729 158 T HA 0.369 4.729 4.350 0.016 0.000 0.296 158 T C -2.416 172.254 174.700 -0.050 0.000 0.928 158 T CA -1.049 61.044 62.100 -0.010 0.000 1.045 158 T CB 0.000 68.862 68.868 -0.009 0.000 0.902 158 T HN 0.288 nan 8.240 nan 0.000 0.500 159 P HA 0.312 nan 4.420 nan 0.000 0.271 159 P C -1.020 176.112 177.300 -0.280 0.000 1.216 159 P CA -0.436 62.534 63.100 -0.216 0.000 0.771 159 P CB 0.596 32.127 31.700 -0.280 0.000 0.864 160 V N 4.515 124.226 119.914 -0.338 0.000 2.376 160 V HA 0.281 4.410 4.120 0.016 0.000 0.287 160 V C -0.563 175.382 176.094 -0.247 0.000 1.015 160 V CA -0.585 61.541 62.300 -0.290 0.000 0.834 160 V CB 0.327 31.861 31.823 -0.483 0.000 1.001 160 V HN 0.405 nan 8.190 nan 0.000 0.428 161 Y N 1.729 122.079 120.300 0.084 0.000 2.335 161 Y HA 0.512 5.081 4.550 0.032 0.000 0.323 161 Y C 1.049 177.006 175.900 0.095 0.000 1.224 161 Y CA -0.479 57.710 58.100 0.148 0.000 1.241 161 Y CB 1.289 39.927 38.460 0.298 0.000 1.235 161 Y HN 0.467 nan 8.280 nan 0.000 0.492 162 T N 2.165 116.880 114.554 0.268 0.000 2.821 162 T HA 0.344 4.704 4.350 0.016 0.000 0.307 162 T C 0.347 175.082 174.700 0.057 0.000 1.034 162 T CA -0.874 61.326 62.100 0.166 0.000 0.953 162 T CB 0.340 69.347 68.868 0.232 0.000 0.968 162 T HN 0.950 nan 8.240 nan 0.000 0.462 163 G N 2.397 111.159 108.800 -0.063 0.000 2.272 163 G HA2 0.479 4.449 3.960 0.016 0.000 0.247 163 G HA3 0.479 4.449 3.960 0.016 0.000 0.247 163 G C -0.166 174.675 174.900 -0.098 0.000 1.272 163 G CA -0.253 44.736 45.100 -0.186 0.000 0.921 163 G HN 0.959 nan 8.290 nan 0.000 0.495 164 A N 2.262 125.026 122.820 -0.093 0.000 2.566 164 A HA 0.799 5.128 4.320 0.016 0.000 0.292 164 A C -0.792 176.771 177.584 -0.034 0.000 1.112 164 A CA -0.739 51.275 52.037 -0.039 0.000 0.707 164 A CB 1.361 20.364 19.000 0.007 0.000 1.302 164 A HN 0.718 nan 8.150 nan 0.000 0.409 165 L N 1.213 122.430 121.223 -0.010 0.000 2.333 165 L HA 0.474 4.824 4.340 0.016 0.000 0.280 165 L C 0.185 177.071 176.870 0.027 0.000 1.004 165 L CA -0.636 54.209 54.840 0.007 0.000 0.820 165 L CB 1.860 43.923 42.059 0.008 0.000 1.247 165 L HN 0.807 nan 8.230 nan 0.000 0.416 166 K N 2.008 122.435 120.400 0.044 0.000 2.379 166 K HA 0.025 4.355 4.320 0.016 0.000 0.284 166 K C -0.418 176.222 176.600 0.066 0.000 1.044 166 K CA -0.382 55.943 56.287 0.063 0.000 0.974 166 K CB 0.643 33.190 32.500 0.078 0.000 0.962 166 K HN 0.440 nan 8.250 nan 0.000 0.474 167 D N 4.882 125.334 120.400 0.087 0.000 2.352 167 D HA 0.033 4.682 4.640 0.016 0.000 0.245 167 D C -0.896 175.560 176.300 0.260 0.000 1.224 167 D CA 0.105 54.186 54.000 0.135 0.000 0.879 167 D CB 0.329 41.193 40.800 0.106 0.000 1.057 167 D HN 0.588 nan 8.370 nan 0.000 0.491 168 E N 2.199 122.519 120.200 0.200 0.000 2.430 168 E HA 0.359 4.719 4.350 0.016 0.000 0.279 168 E C -1.001 175.457 176.600 -0.236 0.000 1.003 168 E CA -1.027 55.447 56.400 0.123 0.000 0.801 168 E CB 0.595 30.345 29.700 0.083 0.000 1.313 168 E HN 0.203 nan 8.360 nan 0.000 0.459 169 L N 1.643 122.566 121.223 -0.501 0.000 2.331 169 L HA 0.497 4.846 4.340 0.016 0.000 0.278 169 L C 0.054 176.802 176.870 -0.202 0.000 1.106 169 L CA -0.652 53.887 54.840 -0.501 0.000 0.824 169 L CB 0.927 42.625 42.059 -0.601 0.000 1.142 169 L HN 0.521 nan 8.230 nan 0.000 0.443 170 V N -0.047 119.667 119.914 -0.333 0.000 3.130 170 V HA 0.487 4.617 4.120 0.016 0.000 0.310 170 V C -0.344 175.186 176.094 -0.939 0.000 1.158 170 V CA -1.479 60.471 62.300 -0.583 0.000 1.029 170 V CB 1.719 33.348 31.823 -0.324 0.000 1.057 170 V HN 0.619 nan 8.190 nan 0.000 0.436 171 K N 1.527 121.239 120.400 -1.148 0.000 2.511 171 K HA 0.088 4.418 4.320 0.016 0.000 0.280 171 K C 1.573 178.019 176.600 -0.257 0.000 1.008 171 K CA 0.841 56.736 56.287 -0.653 0.000 1.050 171 K CB 0.659 32.948 32.500 -0.351 0.000 0.889 171 K HN 1.044 nan 8.250 nan 0.000 0.484 172 T N -0.977 113.541 114.554 -0.058 0.000 2.803 172 T HA -0.194 4.166 4.350 0.016 0.000 0.269 172 T C 1.336 176.115 174.700 0.131 0.000 1.052 172 T CA 1.517 63.687 62.100 0.117 0.000 1.136 172 T CB -0.245 68.776 68.868 0.255 0.000 0.864 172 T HN 0.729 nan 8.240 nan 0.000 0.467 173 D N 1.791 122.221 120.400 0.051 0.000 2.263 173 D HA -0.123 4.526 4.640 0.016 0.000 0.208 173 D C 1.681 177.961 176.300 -0.032 0.000 0.971 173 D CA 0.843 54.864 54.000 0.034 0.000 0.867 173 D CB -0.440 40.365 40.800 0.010 0.000 0.929 173 D HN 0.436 nan 8.370 nan 0.000 0.492 174 K N -0.399 119.951 120.400 -0.084 0.000 2.486 174 K HA 0.168 4.498 4.320 0.016 0.000 0.194 174 K C 1.624 178.128 176.600 -0.161 0.000 1.033 174 K CA 0.303 56.519 56.287 -0.119 0.000 1.004 174 K CB 0.394 32.815 32.500 -0.131 0.000 0.798 174 K HN 0.285 nan 8.250 nan 0.000 0.495 175 I N -1.790 118.658 120.570 -0.204 0.000 3.443 175 I HA -0.061 4.119 4.170 0.016 0.000 0.277 175 I C 1.057 176.923 176.117 -0.417 0.000 1.169 175 I CA 0.357 61.437 61.300 -0.367 0.000 1.419 175 I CB 0.245 37.876 38.000 -0.615 0.000 1.331 175 I HN -0.022 nan 8.210 nan 0.000 0.458 176 Y N 0.889 121.164 120.300 -0.040 0.000 2.478 176 Y HA 0.373 4.933 4.550 0.017 0.000 0.261 176 Y C 1.681 177.551 175.900 -0.050 0.000 1.127 176 Y CA 0.123 58.203 58.100 -0.032 0.000 1.288 176 Y CB -0.134 38.319 38.460 -0.012 0.000 1.084 176 Y HN 0.022 nan 8.280 nan 0.000 0.530 177 G N -0.084 108.744 108.800 0.048 0.000 3.410 177 G HA2 0.178 4.147 3.960 0.016 0.000 0.189 177 G HA3 0.178 4.147 3.960 0.016 0.000 0.189 177 G C -0.750 174.114 174.900 -0.062 0.000 1.404 177 G CA -0.611 44.489 45.100 0.000 0.000 0.898 177 G HN -0.075 nan 8.290 nan 0.000 0.650 178 K N 0.996 121.359 120.400 -0.062 0.000 2.363 178 K HA 0.253 4.583 4.320 0.016 0.000 0.289 178 K C -0.095 176.434 176.600 -0.119 0.000 1.063 178 K CA -0.052 56.183 56.287 -0.086 0.000 0.967 178 K CB -0.530 31.933 32.500 -0.061 0.000 0.987 178 K HN 0.194 nan 8.250 nan 0.000 0.473 179 I N 5.152 125.613 120.570 -0.181 0.000 2.533 179 I HA 0.033 4.213 4.170 0.016 0.000 0.284 179 I C 0.235 176.263 176.117 -0.147 0.000 1.109 179 I CA 0.435 61.593 61.300 -0.237 0.000 1.412 179 I CB 0.463 38.177 38.000 -0.476 0.000 1.396 179 I HN 0.499 nan 8.210 nan 0.000 0.543 180 K N 6.609 126.945 120.400 -0.107 0.000 2.482 180 K HA 0.543 4.872 4.320 0.016 0.000 0.251 180 K C -0.987 175.593 176.600 -0.034 0.000 0.936 180 K CA -0.937 55.316 56.287 -0.058 0.000 0.791 180 K CB 2.498 34.969 32.500 -0.049 0.000 1.213 180 K HN 0.365 nan 8.250 nan 0.000 0.428 181 K N 1.749 122.148 120.400 -0.002 0.000 2.426 181 K HA 0.325 4.654 4.320 0.016 0.000 0.251 181 K C -1.139 175.479 176.600 0.029 0.000 0.941 181 K CA -0.952 55.345 56.287 0.016 0.000 0.808 181 K CB 2.004 34.529 32.500 0.041 0.000 1.265 181 K HN 0.486 nan 8.250 nan 0.000 0.432 182 R N 3.876 124.399 120.500 0.038 0.000 2.316 182 R HA 0.141 4.491 4.340 0.016 0.000 0.314 182 R C -0.701 175.640 176.300 0.068 0.000 1.069 182 R CA -0.524 55.616 56.100 0.066 0.000 0.959 182 R CB 0.349 30.694 30.300 0.075 0.000 0.987 182 R HN 0.462 nan 8.270 nan 0.000 0.446 183 L N 6.146 127.421 121.223 0.086 0.000 2.360 183 L HA 0.294 4.644 4.340 0.016 0.000 0.276 183 L C -1.228 175.687 176.870 0.076 0.000 1.121 183 L CA 0.323 55.179 54.840 0.026 0.000 0.845 183 L CB 0.760 42.819 42.059 -0.001 0.000 1.143 183 L HN 0.603 nan 8.230 nan 0.000 0.452 184 L N 4.778 126.001 121.223 -0.000 0.000 2.346 184 L HA 0.384 4.734 4.340 0.016 0.000 0.274 184 L C -1.256 175.619 176.870 0.008 0.000 1.007 184 L CA -0.523 54.383 54.840 0.110 0.000 0.818 184 L CB 1.655 43.783 42.059 0.115 0.000 1.284 184 L HN 0.649 nan 8.230 nan 0.000 0.424 185 W N 1.829 123.130 121.300 0.002 0.000 2.243 185 W HA 0.450 5.116 4.660 0.011 0.000 0.331 185 W C 0.793 177.432 176.519 0.200 0.000 0.895 185 W CA -0.819 56.526 57.345 -0.000 0.000 1.580 185 W CB 0.899 30.183 29.460 -0.295 0.000 1.568 185 W HN 0.507 nan 8.180 nan 0.000 0.372 186 G N 2.042 111.038 108.800 0.327 0.000 2.298 186 G HA2 0.195 4.165 3.960 0.016 0.000 0.263 186 G HA3 0.195 4.165 3.960 0.016 0.000 0.263 186 G C 0.344 175.443 174.900 0.331 0.000 1.229 186 G CA -0.256 45.015 45.100 0.285 0.000 0.976 186 G HN 0.245 nan 8.290 nan 0.000 0.459 187 S N 1.272 117.149 115.700 0.295 0.000 2.585 187 S HA 0.216 4.696 4.470 0.016 0.000 0.273 187 S C 0.475 175.114 174.600 0.066 0.000 1.339 187 S CA -0.229 58.080 58.200 0.182 0.000 1.028 187 S CB 0.843 64.153 63.200 0.183 0.000 0.906 187 S HN 0.860 nan 8.310 nan 0.000 0.528 188 D N 0.508 120.888 120.400 -0.034 0.000 2.225 188 D HA 0.260 4.910 4.640 0.016 0.000 0.249 188 D C 1.025 177.303 176.300 -0.036 0.000 1.052 188 D CA -0.794 53.186 54.000 -0.033 0.000 0.909 188 D CB 0.556 41.330 40.800 -0.044 0.000 1.186 188 D HN 0.228 nan 8.370 nan 0.000 0.431 189 L N 2.669 123.858 121.223 -0.057 0.000 2.051 189 L HA -0.182 4.168 4.340 0.016 0.000 0.214 189 L C 2.194 179.030 176.870 -0.057 0.000 1.076 189 L CA 2.437 57.221 54.840 -0.093 0.000 0.758 189 L CB -0.927 41.017 42.059 -0.192 0.000 0.890 189 L HN 0.743 nan 8.230 nan 0.000 0.433 190 A N -1.892 120.907 122.820 -0.035 0.000 1.908 190 A HA -0.224 4.105 4.320 0.016 0.000 0.218 190 A C 2.275 179.862 177.584 0.005 0.000 1.181 190 A CA 2.388 54.423 52.037 -0.003 0.000 0.627 190 A CB -1.188 17.813 19.000 0.001 0.000 0.818 190 A HN 0.517 nan 8.150 nan 0.000 0.445 191 T N 0.246 114.792 114.554 -0.014 0.000 2.777 191 T HA -0.140 4.220 4.350 0.016 0.000 0.266 191 T C 1.949 176.664 174.700 0.025 0.000 1.040 191 T CA 1.747 63.844 62.100 -0.004 0.000 1.141 191 T CB -0.356 68.482 68.868 -0.050 0.000 0.868 191 T HN 0.466 nan 8.240 nan 0.000 0.444 192 M N 0.315 119.933 119.600 0.030 0.000 2.082 192 M HA -0.063 4.426 4.480 0.016 0.000 0.258 192 M C 2.231 178.561 176.300 0.050 0.000 1.069 192 M CA 1.792 57.124 55.300 0.054 0.000 1.102 192 M CB -0.678 31.954 32.600 0.052 0.000 1.336 192 M HN 0.192 nan 8.290 nan 0.000 0.404 193 I N -0.465 120.132 120.570 0.045 0.000 2.286 193 I HA -0.243 3.937 4.170 0.016 0.000 0.245 193 I C 2.647 178.737 176.117 -0.046 0.000 1.104 193 I CA 1.222 62.560 61.300 0.062 0.000 1.397 193 I CB -0.300 37.791 38.000 0.153 0.000 1.072 193 I HN 0.219 nan 8.210 nan 0.000 0.417 194 R N -0.330 120.135 120.500 -0.058 0.000 2.081 194 R HA -0.153 4.197 4.340 0.016 0.000 0.235 194 R C 2.394 178.543 176.300 -0.252 0.000 1.131 194 R CA 1.660 57.665 56.100 -0.158 0.000 0.960 194 R CB -0.693 29.615 30.300 0.013 0.000 0.856 194 R HN 0.415 nan 8.270 nan 0.000 0.436 195 C N 0.053 119.297 119.300 -0.092 0.000 2.440 195 C HA 0.005 4.475 4.460 0.016 0.000 0.278 195 C C 2.927 177.865 174.990 -0.085 0.000 1.295 195 C CA 0.627 59.633 59.018 -0.020 0.000 1.738 195 C CB -0.842 26.978 27.740 0.134 0.000 1.987 195 C HN 0.579 nan 8.230 nan 0.000 0.492 196 A N 0.624 123.402 122.820 -0.069 0.000 1.902 196 A HA -0.174 4.156 4.320 0.016 0.000 0.217 196 A C 2.271 179.755 177.584 -0.166 0.000 1.181 196 A CA 1.330 53.343 52.037 -0.040 0.000 0.623 196 A CB -0.485 18.631 19.000 0.194 0.000 0.818 196 A HN 0.648 nan 8.150 nan 0.000 0.443 197 R N -0.698 119.620 120.500 -0.303 0.000 2.075 197 R HA -0.027 4.322 4.340 0.016 0.000 0.232 197 R C 2.509 178.476 176.300 -0.555 0.000 1.126 197 R CA 1.112 56.911 56.100 -0.502 0.000 0.963 197 R CB -0.436 29.201 30.300 -1.105 0.000 0.858 197 R HN 0.518 nan 8.270 nan 0.000 0.435 198 A N 0.456 122.876 122.820 -0.668 0.000 1.873 198 A HA -0.112 4.218 4.320 0.016 0.000 0.215 198 A C 1.427 178.589 177.584 -0.704 0.000 1.186 198 A CA 1.335 52.986 52.037 -0.644 0.000 0.616 198 A CB -0.194 18.160 19.000 -1.076 0.000 0.823 198 A HN 0.256 nan 8.150 nan 0.000 0.442 199 F N -1.361 118.441 119.950 -0.247 0.000 2.746 199 F HA 0.276 4.814 4.527 0.018 0.000 0.313 199 F C 2.321 177.832 175.800 -0.481 0.000 1.095 199 F CA -0.362 57.474 58.000 -0.273 0.000 1.224 199 F CB -0.748 38.132 39.000 -0.201 0.000 1.060 199 F HN 0.215 nan 8.300 nan 0.000 0.584 200 G N 0.938 109.307 108.800 -0.717 0.000 2.529 200 G HA2 -0.271 3.698 3.960 0.016 0.000 0.219 200 G HA3 -0.271 3.698 3.960 0.016 0.000 0.219 200 G C 2.052 176.118 174.900 -1.390 0.000 1.177 200 G CA 1.246 45.364 45.100 -1.636 0.000 0.773 200 G HN 0.473 nan 8.290 nan 0.000 0.573 201 G N 0.603 108.662 108.800 -1.234 0.000 2.440 201 G HA2 -0.149 3.820 3.960 0.016 0.000 0.218 201 G HA3 -0.149 3.820 3.960 0.016 0.000 0.218 201 G C 1.764 176.603 174.900 -0.100 0.000 1.154 201 G CA 1.154 46.052 45.100 -0.337 0.000 0.767 201 G HN 0.455 nan 8.290 nan 0.000 0.552 202 L N 0.315 121.478 121.223 -0.100 0.000 2.046 202 L HA 0.028 4.378 4.340 0.016 0.000 0.208 202 L C 2.678 179.548 176.870 0.000 0.000 1.077 202 L CA 1.638 56.487 54.840 0.015 0.000 0.747 202 L CB -0.391 41.721 42.059 0.090 0.000 0.896 202 L HN 0.086 nan 8.230 nan 0.000 0.432 203 M N -0.756 118.809 119.600 -0.058 0.000 2.108 203 M HA -0.200 4.290 4.480 0.016 0.000 0.261 203 M C 2.008 178.318 176.300 0.017 0.000 1.066 203 M CA 1.460 56.741 55.300 -0.032 0.000 1.107 203 M CB -1.542 31.020 32.600 -0.063 0.000 1.356 203 M HN 0.253 nan 8.290 nan 0.000 0.406 204 D N 0.204 120.627 120.400 0.039 0.000 2.123 204 D HA -0.175 4.475 4.640 0.016 0.000 0.196 204 D C 2.026 178.383 176.300 0.095 0.000 0.992 204 D CA 1.282 55.353 54.000 0.119 0.000 0.833 204 D CB -0.092 40.848 40.800 0.233 0.000 0.954 204 D HN 0.339 nan 8.370 nan 0.000 0.455 205 E N 0.105 120.364 120.200 0.097 0.000 2.072 205 E HA -0.064 4.295 4.350 0.016 0.000 0.191 205 E C 2.156 178.850 176.600 0.155 0.000 0.985 205 E CA 0.654 57.133 56.400 0.131 0.000 0.801 205 E CB -0.290 29.492 29.700 0.136 0.000 0.750 205 E HN 0.254 nan 8.360 nan 0.000 0.452 206 L N 0.407 121.688 121.223 0.097 0.000 2.083 206 L HA -0.142 4.208 4.340 0.016 0.000 0.209 206 L C 2.674 179.587 176.870 0.072 0.000 1.083 206 L CA 1.405 56.296 54.840 0.085 0.000 0.752 206 L CB -0.440 41.644 42.059 0.041 0.000 0.899 206 L HN 0.130 nan 8.230 nan 0.000 0.433 207 K N -0.170 120.258 120.400 0.046 0.000 2.057 207 K HA -0.170 4.159 4.320 0.016 0.000 0.207 207 K C 1.971 178.570 176.600 -0.002 0.000 1.049 207 K CA 1.849 58.151 56.287 0.025 0.000 0.931 207 K CB -0.064 32.458 32.500 0.037 0.000 0.714 207 K HN 0.236 nan 8.250 nan 0.000 0.440 208 T N 0.300 114.836 114.554 -0.030 0.000 2.803 208 T HA -0.128 4.232 4.350 0.016 0.000 0.269 208 T C 1.008 175.531 174.700 -0.295 0.000 1.052 208 T CA 1.105 63.105 62.100 -0.167 0.000 1.136 208 T CB -0.201 68.530 68.868 -0.227 0.000 0.864 208 T HN 0.337 nan 8.240 nan 0.000 0.467 209 H N -0.038 119.032 119.070 0.000 0.000 2.487 209 H HA 0.215 4.780 4.556 0.015 0.000 0.290 209 H C 2.085 177.396 175.328 -0.029 0.000 1.081 209 H CA -0.147 55.893 56.048 -0.013 0.000 1.116 209 H CB -0.462 29.293 29.762 -0.012 0.000 1.560 209 H HN 0.547 nan 8.280 nan 0.000 0.548 210 C N -1.104 118.218 119.300 0.036 0.000 2.432 210 C HA -0.002 4.467 4.460 0.016 0.000 0.282 210 C C 2.276 177.252 174.990 -0.023 0.000 1.388 210 C CA -0.061 58.960 59.018 0.004 0.000 1.777 210 C CB -1.352 26.389 27.740 0.002 0.000 1.882 210 C HN 0.205 nan 8.230 nan 0.000 0.520 211 V N 1.403 121.302 119.914 -0.025 0.000 2.871 211 V HA -0.081 4.048 4.120 0.016 0.000 0.256 211 V C 2.653 178.710 176.094 -0.063 0.000 1.082 211 V CA 2.346 64.615 62.300 -0.053 0.000 1.105 211 V CB -0.845 30.948 31.823 -0.050 0.000 0.713 211 V HN 0.690 nan 8.190 nan 0.000 0.473 212 T N -0.362 114.176 114.554 -0.027 0.000 2.983 212 T HA 0.279 4.638 4.350 0.016 0.000 0.250 212 T C 0.757 175.401 174.700 -0.093 0.000 1.037 212 T CA 0.298 62.372 62.100 -0.042 0.000 1.142 212 T CB 0.030 68.910 68.868 0.021 0.000 0.876 212 T HN 0.152 nan 8.240 nan 0.000 0.455 213 L N 1.741 122.919 121.223 -0.076 0.000 2.418 213 L HA 0.244 4.594 4.340 0.016 0.000 0.265 213 L C -1.559 175.148 176.870 -0.271 0.000 1.143 213 L CA -2.075 52.679 54.840 -0.144 0.000 0.809 213 L CB 0.692 42.722 42.059 -0.048 0.000 1.124 213 L HN -0.073 nan 8.230 nan 0.000 0.456 214 P HA -0.073 nan 4.420 nan 0.000 0.222 214 P C 0.117 177.236 177.300 -0.302 0.000 1.147 214 P CA 1.099 63.854 63.100 -0.575 0.000 0.790 214 P CB 0.128 31.218 31.700 -1.016 0.000 0.780 215 I N 0.533 120.992 120.570 -0.185 0.000 2.347 215 I HA 0.087 4.266 4.170 0.016 0.000 0.294 215 I C 1.321 177.404 176.117 -0.056 0.000 1.090 215 I CA -0.214 61.063 61.300 -0.038 0.000 1.314 215 I CB 0.577 38.593 38.000 0.027 0.000 1.423 215 I HN -0.206 nan 8.210 nan 0.000 0.503 216 R N 4.400 124.889 120.500 -0.017 0.000 2.334 216 R HA 0.168 4.517 4.340 0.016 0.000 0.220 216 R C 0.008 176.314 176.300 0.011 0.000 0.917 216 R CA -0.144 55.993 56.100 0.062 0.000 1.073 216 R CB -0.426 30.042 30.300 0.279 0.000 1.056 216 R HN 0.362 nan 8.270 nan 0.000 0.506 217 V N 1.181 120.931 119.914 -0.273 0.000 2.475 217 V HA 0.140 4.270 4.120 0.016 0.000 0.292 217 V C 1.497 177.568 176.094 -0.039 0.000 1.003 217 V CA 1.399 63.495 62.300 -0.340 0.000 1.120 217 V CB 0.404 31.976 31.823 -0.419 0.000 0.937 217 V HN 0.737 nan 8.190 nan 0.000 0.476 218 G N 4.002 112.851 108.800 0.082 0.000 2.211 218 G HA2 -0.187 3.783 3.960 0.016 0.000 0.201 218 G HA3 -0.187 3.783 3.960 0.016 0.000 0.201 218 G C 0.111 175.055 174.900 0.073 0.000 0.997 218 G CA -0.027 45.117 45.100 0.072 0.000 0.652 218 G HN 0.869 nan 8.290 nan 0.000 0.500 219 M N 0.483 120.144 119.600 0.102 0.000 2.233 219 M HA 0.619 5.108 4.480 0.016 0.000 0.350 219 M C -0.157 176.177 176.300 0.057 0.000 1.176 219 M CA -0.390 54.950 55.300 0.067 0.000 1.150 219 M CB 0.943 33.590 32.600 0.078 0.000 1.530 219 M HN 0.057 nan 8.290 nan 0.000 0.459 220 N N 3.971 122.680 118.700 0.015 0.000 2.439 220 N HA 0.151 4.901 4.740 0.016 0.000 0.249 220 N C 0.040 175.540 175.510 -0.016 0.000 1.003 220 N CA -0.331 52.721 53.050 0.003 0.000 0.942 220 N CB 1.342 39.821 38.487 -0.013 0.000 1.115 220 N HN 0.997 nan 8.380 nan 0.000 0.505 221 M N 4.067 123.670 119.600 0.005 0.000 2.159 221 M HA -0.095 4.395 4.480 0.016 0.000 0.263 221 M C 1.515 177.811 176.300 -0.006 0.000 1.063 221 M CA 1.625 56.931 55.300 0.011 0.000 1.110 221 M CB -0.574 32.066 32.600 0.067 0.000 1.374 221 M HN 0.653 nan 8.290 nan 0.000 0.411 222 N N -0.508 118.180 118.700 -0.020 0.000 2.188 222 N HA -0.157 4.593 4.740 0.016 0.000 0.184 222 N C 1.414 176.876 175.510 -0.081 0.000 1.018 222 N CA 1.610 54.626 53.050 -0.057 0.000 0.858 222 N CB 0.103 38.531 38.487 -0.098 0.000 0.989 222 N HN 0.587 nan 8.380 nan 0.000 0.426 223 E N -0.486 119.669 120.200 -0.075 0.000 2.162 223 E HA -0.014 4.345 4.350 0.016 0.000 0.193 223 E C 0.879 177.436 176.600 -0.071 0.000 0.953 223 E CA 0.454 56.810 56.400 -0.073 0.000 0.849 223 E CB 0.237 29.898 29.700 -0.065 0.000 0.810 223 E HN 0.283 nan 8.360 nan 0.000 0.470 224 D N 0.279 120.627 120.400 -0.086 0.000 2.240 224 D HA -0.019 4.630 4.640 0.016 0.000 0.206 224 D C 1.913 178.083 176.300 -0.218 0.000 0.963 224 D CA 0.794 54.724 54.000 -0.116 0.000 0.863 224 D CB -0.333 40.411 40.800 -0.094 0.000 0.973 224 D HN 0.181 nan 8.370 nan 0.000 0.501 225 G N 2.413 111.049 108.800 -0.272 0.000 2.553 225 G HA2 -0.251 3.719 3.960 0.016 0.000 0.218 225 G HA3 -0.251 3.719 3.960 0.016 0.000 0.218 225 G C -0.711 173.871 174.900 -0.531 0.000 1.195 225 G CA 0.824 45.562 45.100 -0.602 0.000 0.779 225 G HN 0.285 nan 8.290 nan 0.000 0.577 226 P HA -0.097 nan 4.420 nan 0.000 0.216 226 P C 1.899 179.239 177.300 0.067 0.000 1.153 226 P CA 1.022 64.200 63.100 0.130 0.000 0.858 226 P CB -0.104 31.674 31.700 0.131 0.000 0.789 227 I N -1.691 118.855 120.570 -0.039 0.000 2.202 227 I HA -0.195 3.985 4.170 0.016 0.000 0.242 227 I C 2.326 178.386 176.117 -0.096 0.000 1.091 227 I CA 1.310 62.585 61.300 -0.042 0.000 1.368 227 I CB -0.578 37.391 38.000 -0.052 0.000 1.058 227 I HN -0.148 nan 8.210 nan 0.000 0.410 228 I N 0.152 120.599 120.570 -0.205 0.000 2.226 228 I HA -0.287 3.893 4.170 0.016 0.000 0.245 228 I C 2.306 178.385 176.117 -0.064 0.000 1.100 228 I CA 1.479 62.654 61.300 -0.207 0.000 1.374 228 I CB -0.319 37.492 38.000 -0.315 0.000 1.057 228 I HN 0.084 nan 8.210 nan 0.000 0.413 229 F N 0.627 120.515 119.950 -0.104 0.000 2.186 229 F HA -0.146 4.390 4.527 0.016 0.000 0.299 229 F C 2.604 178.027 175.800 -0.628 0.000 1.090 229 F CA 0.948 58.753 58.000 -0.326 0.000 1.307 229 F CB -1.003 37.838 39.000 -0.265 0.000 1.019 229 F HN 0.094 nan 8.300 nan 0.000 0.489 230 E N 0.848 120.916 120.200 -0.221 0.000 2.077 230 E HA -0.182 4.178 4.350 0.016 0.000 0.193 230 E C 2.362 178.888 176.600 -0.124 0.000 0.989 230 E CA 0.964 57.246 56.400 -0.198 0.000 0.800 230 E CB -0.084 29.690 29.700 0.123 0.000 0.746 230 E HN 0.357 nan 8.360 nan 0.000 0.452 231 R N -0.574 119.877 120.500 -0.081 0.000 2.096 231 R HA -0.107 4.242 4.340 0.016 0.000 0.235 231 R C 2.498 178.788 176.300 -0.017 0.000 1.127 231 R CA 1.125 57.188 56.100 -0.063 0.000 0.968 231 R CB -0.379 29.854 30.300 -0.112 0.000 0.861 231 R HN 0.353 nan 8.270 nan 0.000 0.440 232 H N 0.168 119.181 119.070 -0.095 0.000 2.353 232 H HA -0.079 4.486 4.556 0.016 0.000 0.300 232 H C 2.362 177.722 175.328 0.054 0.000 1.090 232 H CA 1.992 58.000 56.048 -0.066 0.000 1.327 232 H CB -0.094 29.536 29.762 -0.221 0.000 1.383 232 H HN 0.266 nan 8.280 nan 0.000 0.508 233 S N 1.027 116.662 115.700 -0.108 0.000 2.442 233 S HA -0.118 4.361 4.470 0.016 0.000 0.236 233 S C 1.959 176.628 174.600 0.114 0.000 1.007 233 S CA 0.667 58.788 58.200 -0.133 0.000 0.965 233 S CB -0.217 62.750 63.200 -0.389 0.000 0.773 233 S HN 0.365 nan 8.310 nan 0.000 0.504 234 R N -0.442 120.096 120.500 0.062 0.000 2.237 234 R HA 0.115 4.465 4.340 0.016 0.000 0.219 234 R C -0.125 176.062 176.300 -0.188 0.000 1.080 234 R CA 0.527 56.581 56.100 -0.075 0.000 0.995 234 R CB -0.241 29.941 30.300 -0.196 0.000 0.875 234 R HN 0.486 nan 8.270 nan 0.000 0.462 235 Y N 0.051 120.336 120.300 -0.026 0.000 2.307 235 Y HA 0.125 4.685 4.550 0.016 0.000 0.324 235 Y C 1.688 177.434 175.900 -0.257 0.000 1.238 235 Y CA -0.447 57.574 58.100 -0.133 0.000 1.280 235 Y CB 0.694 39.058 38.460 -0.159 0.000 1.248 235 Y HN -0.240 nan 8.280 nan 0.000 0.508 236 R N 0.537 120.908 120.500 -0.216 0.000 2.075 236 R HA -0.011 4.339 4.340 0.016 0.000 0.226 236 R C -0.790 175.090 176.300 -0.700 0.000 1.114 236 R CA 1.047 56.853 56.100 -0.490 0.000 0.972 236 R CB 0.108 29.987 30.300 -0.701 0.000 0.869 236 R HN 0.631 nan 8.270 nan 0.000 0.437 237 Y N -0.068 120.054 120.300 -0.297 0.000 2.429 237 Y HA 0.428 4.987 4.550 0.016 0.000 0.342 237 Y C -0.367 175.235 175.900 -0.497 0.000 1.004 237 Y CA -0.982 56.954 58.100 -0.273 0.000 1.075 237 Y CB 1.652 40.086 38.460 -0.044 0.000 1.214 237 Y HN 0.011 nan 8.280 nan 0.000 0.455 238 H N 2.419 121.632 119.070 0.238 0.000 2.806 238 H HA 0.389 4.955 4.556 0.016 0.000 0.367 238 H C -1.561 173.873 175.328 0.178 0.000 1.136 238 H CA -0.973 55.139 56.048 0.107 0.000 1.178 238 H CB 2.481 32.247 29.762 0.007 0.000 1.718 238 H HN 0.784 nan 8.280 nan 0.000 0.540 239 Y N -0.077 120.314 120.300 0.151 0.000 2.534 239 Y HA 0.450 5.009 4.550 0.016 0.000 0.345 239 Y C -1.284 174.650 175.900 0.055 0.000 1.031 239 Y CA -1.169 56.986 58.100 0.092 0.000 1.022 239 Y CB 1.615 40.123 38.460 0.080 0.000 1.292 239 Y HN 0.490 nan 8.280 nan 0.000 0.459 240 D N 2.040 122.552 120.400 0.187 0.000 2.350 240 D HA 0.808 5.457 4.640 0.016 0.000 0.238 240 D C -1.167 175.249 176.300 0.194 0.000 0.989 240 D CA -0.730 53.334 54.000 0.105 0.000 0.921 240 D CB 2.032 42.852 40.800 0.033 0.000 1.297 240 D HN 1.097 nan 8.370 nan 0.000 0.490 241 A N 0.604 123.523 122.820 0.165 0.000 2.605 241 A HA 0.521 4.851 4.320 0.016 0.000 0.294 241 A C -1.785 175.837 177.584 0.063 0.000 1.062 241 A CA -0.872 51.209 52.037 0.073 0.000 0.682 241 A CB 1.899 20.919 19.000 0.034 0.000 1.278 241 A HN 0.624 nan 8.150 nan 0.000 0.410 242 D N -0.288 120.077 120.400 -0.059 0.000 2.490 242 D HA 0.656 5.306 4.640 0.016 0.000 0.232 242 D C -1.675 174.541 176.300 -0.140 0.000 1.053 242 D CA -0.018 53.993 54.000 0.019 0.000 0.914 242 D CB 1.618 42.447 40.800 0.047 0.000 1.431 242 D HN 0.374 nan 8.370 nan 0.000 0.483 243 Y N 0.172 120.540 120.300 0.115 0.000 2.409 243 Y HA 0.262 4.822 4.550 0.017 0.000 0.343 243 Y C 0.552 176.535 175.900 0.138 0.000 0.973 243 Y CA -0.710 57.489 58.100 0.165 0.000 1.064 243 Y CB 2.124 40.789 38.460 0.341 0.000 1.207 243 Y HN 0.094 nan 8.280 nan 0.000 0.452 244 S N 3.376 119.204 115.700 0.213 0.000 2.549 244 S HA 0.222 4.701 4.470 0.016 0.000 0.279 244 S C 0.214 174.892 174.600 0.131 0.000 1.321 244 S CA -0.724 57.554 58.200 0.131 0.000 1.054 244 S CB 0.164 63.402 63.200 0.064 0.000 0.899 244 S HN 0.702 nan 8.310 nan 0.000 0.497 245 R N 0.801 121.363 120.500 0.102 0.000 3.333 245 R HA -0.203 4.147 4.340 0.016 0.000 0.256 245 R C 0.917 177.234 176.300 0.029 0.000 1.010 245 R CA 0.521 56.648 56.100 0.044 0.000 0.680 245 R CB -1.700 28.574 30.300 -0.044 0.000 1.102 245 R HN 0.915 nan 8.270 nan 0.000 0.440 246 W N 2.541 123.812 121.300 -0.048 0.000 2.301 246 W HA -0.318 4.351 4.660 0.015 0.000 0.325 246 W C 1.587 177.988 176.519 -0.197 0.000 1.250 246 W CA 2.523 59.801 57.345 -0.111 0.000 1.261 246 W CB -0.431 28.981 29.460 -0.079 0.000 1.157 246 W HN 0.465 nan 8.180 nan 0.000 0.473 247 D N 0.579 120.937 120.400 -0.069 0.000 2.123 247 D HA -0.253 4.396 4.640 0.016 0.000 0.196 247 D C 2.095 178.076 176.300 -0.531 0.000 0.992 247 D CA 2.585 56.448 54.000 -0.228 0.000 0.833 247 D CB -1.317 39.533 40.800 0.084 0.000 0.954 247 D HN 0.241 nan 8.370 nan 0.000 0.455 248 S N -0.244 115.010 115.700 -0.744 0.000 2.447 248 S HA -0.142 4.338 4.470 0.016 0.000 0.233 248 S C 1.894 176.023 174.600 -0.784 0.000 1.006 248 S CA 1.491 58.871 58.200 -1.366 0.000 0.957 248 S CB -1.161 61.400 63.200 -1.065 0.000 0.773 248 S HN 0.522 nan 8.310 nan 0.000 0.507 249 T N -1.894 112.306 114.554 -0.589 0.000 3.107 249 T HA 0.218 4.577 4.350 0.016 0.000 0.249 249 T C 0.502 174.883 174.700 -0.533 0.000 1.096 249 T CA -0.408 61.407 62.100 -0.475 0.000 1.012 249 T CB -0.157 68.486 68.868 -0.376 0.000 0.977 249 T HN 0.164 nan 8.240 nan 0.000 0.527 250 Q N 2.076 121.496 119.800 -0.633 0.000 2.373 250 Q HA 0.313 4.663 4.340 0.016 0.000 0.255 250 Q C -0.206 175.555 176.000 -0.398 0.000 0.980 250 Q CA 0.349 55.791 55.803 -0.602 0.000 0.882 250 Q CB 0.704 29.042 28.738 -0.667 0.000 1.249 250 Q HN 0.616 nan 8.270 nan 0.000 0.438 251 Q N 1.849 121.444 119.800 -0.341 0.000 2.293 251 Q HA 0.306 4.655 4.340 0.016 0.000 0.261 251 Q C 0.820 176.702 176.000 -0.196 0.000 0.960 251 Q CA -0.749 54.916 55.803 -0.231 0.000 0.882 251 Q CB 1.546 30.163 28.738 -0.202 0.000 1.275 251 Q HN 0.296 nan 8.270 nan 0.000 0.445 252 R N 1.198 121.618 120.500 -0.134 0.000 2.193 252 R HA -0.117 4.233 4.340 0.016 0.000 0.229 252 R C 1.675 177.952 176.300 -0.038 0.000 1.110 252 R CA 1.159 57.217 56.100 -0.070 0.000 0.988 252 R CB -0.452 29.831 30.300 -0.027 0.000 0.871 252 R HN 0.734 nan 8.270 nan 0.000 0.458 253 A N 0.580 123.361 122.820 -0.065 0.000 1.933 253 A HA -0.095 4.235 4.320 0.016 0.000 0.218 253 A C 2.404 179.947 177.584 -0.069 0.000 1.175 253 A CA 1.344 53.346 52.037 -0.058 0.000 0.628 253 A CB -0.336 18.621 19.000 -0.072 0.000 0.814 253 A HN 0.099 nan 8.150 nan 0.000 0.444 254 V N 0.043 119.890 119.914 -0.113 0.000 2.407 254 V HA -0.167 3.963 4.120 0.016 0.000 0.245 254 V C 2.481 178.546 176.094 -0.048 0.000 1.041 254 V CA 1.567 63.793 62.300 -0.124 0.000 1.040 254 V CB -0.673 31.024 31.823 -0.211 0.000 0.671 254 V HN 0.557 nan 8.190 nan 0.000 0.455 255 L N 0.256 121.456 121.223 -0.039 0.000 2.131 255 L HA -0.156 4.194 4.340 0.016 0.000 0.210 255 L C 2.702 179.763 176.870 0.318 0.000 1.092 255 L CA 1.400 56.327 54.840 0.145 0.000 0.759 255 L CB -0.820 41.230 42.059 -0.015 0.000 0.903 255 L HN 0.379 nan 8.230 nan 0.000 0.435 256 A N 0.289 123.197 122.820 0.145 0.000 1.898 256 A HA -0.137 4.192 4.320 0.016 0.000 0.216 256 A C 2.576 180.195 177.584 0.058 0.000 1.181 256 A CA 1.623 53.719 52.037 0.099 0.000 0.620 256 A CB -0.621 18.407 19.000 0.047 0.000 0.819 256 A HN 0.379 nan 8.150 nan 0.000 0.442 257 A N -0.158 122.682 122.820 0.032 0.000 1.933 257 A HA 0.150 4.480 4.320 0.016 0.000 0.218 257 A C 2.468 180.064 177.584 0.019 0.000 1.175 257 A CA 2.073 54.113 52.037 0.004 0.000 0.628 257 A CB -0.919 18.063 19.000 -0.029 0.000 0.814 257 A HN 1.020 nan 8.150 nan 0.000 0.444 258 A N -0.354 122.512 122.820 0.077 0.000 1.873 258 A HA -0.014 4.316 4.320 0.016 0.000 0.215 258 A C 2.168 179.758 177.584 0.011 0.000 1.186 258 A CA 1.450 53.553 52.037 0.110 0.000 0.616 258 A CB -0.567 18.616 19.000 0.305 0.000 0.823 258 A HN 0.459 nan 8.150 nan 0.000 0.442 259 L N -0.777 120.421 121.223 -0.042 0.000 2.093 259 L HA -0.194 4.155 4.340 0.016 0.000 0.208 259 L C 2.580 179.398 176.870 -0.086 0.000 1.085 259 L CA 1.471 56.174 54.840 -0.228 0.000 0.755 259 L CB -0.502 41.394 42.059 -0.271 0.000 0.904 259 L HN 0.479 nan 8.230 nan 0.000 0.435 260 E N 0.282 120.467 120.200 -0.025 0.000 2.070 260 E HA -0.266 4.093 4.350 0.016 0.000 0.197 260 E C 2.203 178.813 176.600 0.016 0.000 1.004 260 E CA 1.543 57.942 56.400 -0.003 0.000 0.805 260 E CB -0.160 29.537 29.700 -0.005 0.000 0.744 260 E HN 0.469 nan 8.360 nan 0.000 0.451 261 I N 0.402 120.990 120.570 0.030 0.000 2.179 261 I HA -0.317 3.863 4.170 0.016 0.000 0.242 261 I C 2.460 178.687 176.117 0.183 0.000 1.088 261 I CA 1.167 62.535 61.300 0.113 0.000 1.357 261 I CB -0.217 37.822 38.000 0.064 0.000 1.051 261 I HN 0.160 nan 8.210 nan 0.000 0.409 262 M N -0.250 119.380 119.600 0.050 0.000 2.117 262 M HA -0.186 4.303 4.480 0.016 0.000 0.262 262 M C 2.378 178.805 176.300 0.211 0.000 1.065 262 M CA 1.545 56.860 55.300 0.025 0.000 1.114 262 M CB -0.418 31.964 32.600 -0.364 0.000 1.361 262 M HN 0.076 nan 8.290 nan 0.000 0.408 263 V N 0.526 120.553 119.914 0.188 0.000 2.261 263 V HA -0.306 3.824 4.120 0.016 0.000 0.246 263 V C 2.343 178.484 176.094 0.079 0.000 1.047 263 V CA 2.028 64.441 62.300 0.189 0.000 1.015 263 V CB -0.752 31.134 31.823 0.105 0.000 0.642 263 V HN 0.476 nan 8.190 nan 0.000 0.446 264 K N -0.541 119.860 120.400 0.001 0.000 2.113 264 K HA -0.211 4.118 4.320 0.016 0.000 0.208 264 K C 1.647 178.068 176.600 -0.299 0.000 1.047 264 K CA 2.085 58.258 56.287 -0.190 0.000 0.928 264 K CB -0.204 32.104 32.500 -0.321 0.000 0.716 264 K HN 0.463 nan 8.250 nan 0.000 0.446 265 F N 0.879 120.854 119.950 0.041 0.000 2.693 265 F HA 0.111 4.647 4.527 0.015 0.000 0.303 265 F C 0.819 176.654 175.800 0.059 0.000 1.097 265 F CA -0.397 57.629 58.000 0.043 0.000 1.330 265 F CB 0.286 39.306 39.000 0.033 0.000 1.067 265 F HN -0.058 nan 8.300 nan 0.000 0.565 266 S N -0.673 115.139 115.700 0.186 0.000 2.614 266 S HA 0.115 4.595 4.470 0.016 0.000 0.265 266 S C 1.521 176.165 174.600 0.074 0.000 1.303 266 S CA -0.087 58.190 58.200 0.130 0.000 1.000 266 S CB 1.307 64.561 63.200 0.091 0.000 0.935 266 S HN 0.253 nan 8.310 nan 0.000 0.551 267 S N 0.590 116.320 115.700 0.051 0.000 2.382 267 S HA -0.088 4.392 4.470 0.016 0.000 0.228 267 S C 0.183 174.816 174.600 0.056 0.000 1.027 267 S CA 0.890 59.129 58.200 0.065 0.000 0.991 267 S CB -0.690 62.557 63.200 0.079 0.000 0.823 267 S HN 0.833 nan 8.310 nan 0.000 0.469 268 E N 1.453 121.645 120.200 -0.014 0.000 3.037 268 E HA 0.367 4.726 4.350 0.016 0.000 0.220 268 E C -2.357 174.072 176.600 -0.284 0.000 1.142 268 E CA -2.026 54.279 56.400 -0.158 0.000 0.888 268 E CB 1.576 31.080 29.700 -0.326 0.000 1.329 268 E HN 0.190 nan 8.360 nan 0.000 0.409 269 P HA -0.276 nan 4.420 nan 0.000 0.216 269 P C 1.183 178.452 177.300 -0.053 0.000 1.153 269 P CA 1.391 64.479 63.100 -0.020 0.000 0.858 269 P CB 0.043 31.768 31.700 0.041 0.000 0.789 270 H N -0.878 118.146 119.070 -0.076 0.000 2.387 270 H HA -0.067 4.499 4.556 0.018 0.000 0.299 270 H C 1.821 177.069 175.328 -0.134 0.000 1.099 270 H CA 1.187 57.179 56.048 -0.093 0.000 1.315 270 H CB -1.439 28.267 29.762 -0.093 0.000 1.380 270 H HN 0.195 nan 8.280 nan 0.000 0.513 271 L N 0.179 121.026 121.223 -0.627 0.000 2.249 271 L HA 0.173 4.522 4.340 0.016 0.000 0.207 271 L C 2.996 179.669 176.870 -0.329 0.000 1.090 271 L CA 0.637 55.128 54.840 -0.582 0.000 0.802 271 L CB -0.344 41.108 42.059 -1.012 0.000 0.947 271 L HN 0.312 nan 8.230 nan 0.000 0.453 272 A N -0.115 122.551 122.820 -0.257 0.000 1.968 272 A HA -0.234 4.096 4.320 0.016 0.000 0.217 272 A C 2.183 179.704 177.584 -0.106 0.000 1.169 272 A CA 1.455 53.342 52.037 -0.251 0.000 0.638 272 A CB -0.378 18.423 19.000 -0.332 0.000 0.812 272 A HN 0.375 nan 8.150 nan 0.000 0.446 273 Q N 0.379 120.139 119.800 -0.066 0.000 2.112 273 Q HA -0.148 4.202 4.340 0.016 0.000 0.206 273 Q C 1.757 177.749 176.000 -0.013 0.000 0.987 273 Q CA 2.494 58.289 55.803 -0.014 0.000 0.858 273 Q CB -0.718 28.011 28.738 -0.016 0.000 0.905 273 Q HN 0.362 nan 8.270 nan 0.000 0.420 274 V N -0.532 119.356 119.914 -0.042 0.000 2.358 274 V HA -0.216 3.914 4.120 0.016 0.000 0.246 274 V C 2.328 178.424 176.094 0.004 0.000 1.047 274 V CA 1.571 63.855 62.300 -0.026 0.000 1.035 274 V CB -0.690 31.099 31.823 -0.055 0.000 0.658 274 V HN 0.277 nan 8.190 nan 0.000 0.452 275 V N 0.594 120.513 119.914 0.008 0.000 2.343 275 V HA -0.248 3.882 4.120 0.016 0.000 0.247 275 V C 2.771 178.906 176.094 0.068 0.000 1.051 275 V CA 1.971 64.294 62.300 0.040 0.000 1.036 275 V CB -1.317 30.503 31.823 -0.005 0.000 0.654 275 V HN 0.541 nan 8.190 nan 0.000 0.451 276 A N 1.108 123.984 122.820 0.092 0.000 1.883 276 A HA -0.281 4.049 4.320 0.016 0.000 0.217 276 A C 2.257 179.846 177.584 0.009 0.000 1.186 276 A CA 2.078 54.147 52.037 0.053 0.000 0.624 276 A CB -0.568 18.477 19.000 0.076 0.000 0.822 276 A HN 0.790 nan 8.150 nan 0.000 0.444 277 E N -0.578 119.636 120.200 0.024 0.000 2.150 277 E HA -0.220 4.140 4.350 0.016 0.000 0.193 277 E C 0.911 177.537 176.600 0.043 0.000 0.985 277 E CA 1.254 57.671 56.400 0.029 0.000 0.814 277 E CB -0.464 29.249 29.700 0.021 0.000 0.752 277 E HN 0.492 nan 8.360 nan 0.000 0.466 278 D N 1.236 121.662 120.400 0.043 0.000 2.178 278 D HA -0.055 4.595 4.640 0.016 0.000 0.202 278 D C 2.156 178.509 176.300 0.088 0.000 0.974 278 D CA 0.767 54.800 54.000 0.056 0.000 0.841 278 D CB -0.060 40.767 40.800 0.044 0.000 0.953 278 D HN 0.260 nan 8.370 nan 0.000 0.478 279 L N -0.030 121.242 121.223 0.082 0.000 2.156 279 L HA -0.073 4.276 4.340 0.016 0.000 0.208 279 L C 2.257 179.258 176.870 0.219 0.000 1.095 279 L CA 0.285 55.206 54.840 0.135 0.000 0.770 279 L CB -0.145 41.886 42.059 -0.047 0.000 0.914 279 L HN 0.048 nan 8.230 nan 0.000 0.439 280 L N -0.620 120.692 121.223 0.147 0.000 2.179 280 L HA 0.073 4.423 4.340 0.016 0.000 0.208 280 L C 1.471 178.420 176.870 0.132 0.000 1.096 280 L CA 0.782 55.730 54.840 0.180 0.000 0.779 280 L CB -0.115 42.015 42.059 0.118 0.000 0.922 280 L HN 0.027 nan 8.230 nan 0.000 0.443 281 S N 0.785 116.548 115.700 0.105 0.000 2.566 281 S HA 0.087 4.567 4.470 0.016 0.000 0.280 281 S C -2.237 172.423 174.600 0.099 0.000 1.343 281 S CA -0.786 57.465 58.200 0.085 0.000 1.036 281 S CB -0.044 63.199 63.200 0.073 0.000 0.866 281 S HN 0.137 nan 8.310 nan 0.000 0.526 282 P HA -0.020 nan 4.420 nan 0.000 0.259 282 P C -0.804 176.572 177.300 0.126 0.000 1.155 282 P CA 0.416 63.567 63.100 0.084 0.000 0.759 282 P CB 0.142 31.884 31.700 0.070 0.000 0.753 283 S N 2.252 118.038 115.700 0.144 0.000 2.481 283 S HA 0.171 4.651 4.470 0.016 0.000 0.276 283 S C 0.260 175.043 174.600 0.306 0.000 1.247 283 S CA -0.639 57.721 58.200 0.267 0.000 1.053 283 S CB 0.265 63.537 63.200 0.121 0.000 0.925 283 S HN 0.147 nan 8.310 nan 0.000 0.491 284 V N 4.940 125.034 119.914 0.299 0.000 2.427 284 V HA 0.268 4.397 4.120 0.016 0.000 0.268 284 V C 0.150 176.413 176.094 0.282 0.000 1.046 284 V CA -0.265 62.155 62.300 0.201 0.000 0.970 284 V CB 0.970 32.836 31.823 0.072 0.000 1.001 284 V HN 0.630 nan 8.190 nan 0.000 0.476 285 V N 5.019 125.061 119.914 0.213 0.000 2.531 285 V HA 0.463 4.593 4.120 0.016 0.000 0.301 285 V C -0.590 175.534 176.094 0.051 0.000 1.034 285 V CA -0.587 61.810 62.300 0.161 0.000 0.865 285 V CB 2.044 33.886 31.823 0.032 0.000 0.995 285 V HN 0.910 nan 8.190 nan 0.000 0.424 286 D N 4.906 125.333 120.400 0.044 0.000 2.365 286 D HA 0.152 4.801 4.640 0.016 0.000 0.237 286 D C 0.759 177.058 176.300 -0.001 0.000 1.190 286 D CA -0.033 53.985 54.000 0.029 0.000 0.867 286 D CB 1.701 42.542 40.800 0.069 0.000 1.050 286 D HN 0.556 nan 8.370 nan 0.000 0.491 287 V N 2.071 121.983 119.914 -0.002 0.000 3.499 287 V HA 0.443 4.573 4.120 0.016 0.000 0.308 287 V C 1.347 177.424 176.094 -0.027 0.000 1.319 287 V CA 0.530 62.824 62.300 -0.009 0.000 1.194 287 V CB -0.190 31.674 31.823 0.068 0.000 1.072 287 V HN 0.706 nan 8.190 nan 0.000 0.426 288 G N 1.033 109.798 108.800 -0.058 0.000 4.365 288 G HA2 -0.355 3.615 3.960 0.016 0.000 0.214 288 G HA3 -0.355 3.615 3.960 0.016 0.000 0.214 288 G C 0.578 175.371 174.900 -0.178 0.000 1.450 288 G CA 0.556 45.595 45.100 -0.102 0.000 0.937 288 G HN 0.499 nan 8.290 nan 0.000 0.625 289 D N 0.709 120.950 120.400 -0.264 0.000 2.277 289 D HA 0.343 4.992 4.640 0.016 0.000 0.208 289 D C 0.508 176.219 176.300 -0.981 0.000 0.962 289 D CA 0.959 54.601 54.000 -0.597 0.000 0.865 289 D CB 0.041 40.441 40.800 -0.666 0.000 0.939 289 D HN 0.328 nan 8.370 nan 0.000 0.510 290 F N -1.098 118.720 119.950 -0.220 0.000 2.613 290 F HA 0.355 4.891 4.527 0.014 0.000 0.310 290 F C 0.037 175.759 175.800 -0.131 0.000 1.085 290 F CA -1.068 56.799 58.000 -0.221 0.000 0.945 290 F CB 1.707 40.462 39.000 -0.408 0.000 1.298 290 F HN -0.538 nan 8.300 nan 0.000 0.455 291 T N 4.297 118.917 114.554 0.110 0.000 2.749 291 T HA 0.709 5.069 4.350 0.016 0.000 0.287 291 T C -0.256 174.489 174.700 0.076 0.000 0.970 291 T CA -0.376 61.764 62.100 0.066 0.000 0.980 291 T CB 0.293 69.180 68.868 0.031 0.000 0.924 291 T HN 0.536 nan 8.240 nan 0.000 0.456 292 I N -0.519 120.095 120.570 0.074 0.000 3.108 292 I HA 0.878 5.058 4.170 0.016 0.000 0.312 292 I C -0.395 175.776 176.117 0.090 0.000 1.095 292 I CA -1.038 60.306 61.300 0.075 0.000 1.000 292 I CB 2.396 40.455 38.000 0.098 0.000 1.229 292 I HN 0.458 nan 8.210 nan 0.000 0.454 293 S N 3.362 119.115 115.700 0.088 0.000 2.596 293 S HA 0.631 5.111 4.470 0.016 0.000 0.318 293 S C -0.806 173.862 174.600 0.113 0.000 1.097 293 S CA -0.661 57.601 58.200 0.103 0.000 1.080 293 S CB 0.629 63.873 63.200 0.075 0.000 0.991 293 S HN 0.457 nan 8.310 nan 0.000 0.471 294 I N 5.883 126.545 120.570 0.152 0.000 2.354 294 I HA 0.276 4.456 4.170 0.016 0.000 0.286 294 I C 0.754 176.931 176.117 0.101 0.000 1.007 294 I CA -0.605 60.788 61.300 0.155 0.000 1.167 294 I CB 1.214 39.372 38.000 0.263 0.000 1.320 294 I HN 0.790 nan 8.210 nan 0.000 0.458 295 N N 4.456 123.203 118.700 0.078 0.000 2.422 295 N HA 0.003 4.753 4.740 0.016 0.000 0.181 295 N C 0.263 175.787 175.510 0.023 0.000 1.080 295 N CA 0.524 53.603 53.050 0.048 0.000 0.893 295 N CB 0.520 39.030 38.487 0.038 0.000 0.973 295 N HN 0.453 nan 8.380 nan 0.000 0.456 296 E N -0.861 119.362 120.200 0.039 0.000 2.423 296 E HA 0.584 4.943 4.350 0.016 0.000 0.269 296 E C 0.322 176.945 176.600 0.038 0.000 0.948 296 E CA -0.271 56.129 56.400 0.001 0.000 0.802 296 E CB 1.929 31.619 29.700 -0.016 0.000 1.339 296 E HN 0.223 nan 8.360 nan 0.000 0.445 297 G N 0.126 108.870 108.800 -0.094 0.000 2.828 297 G HA2 -0.231 3.739 3.960 0.016 0.000 0.463 297 G HA3 -0.231 3.739 3.960 0.016 0.000 0.463 297 G C -1.070 173.669 174.900 -0.269 0.000 1.394 297 G CA -0.210 44.796 45.100 -0.157 0.000 0.862 297 G HN 0.419 nan 8.290 nan 0.000 0.540 298 L N 1.707 122.732 121.223 -0.330 0.000 2.296 298 L HA 0.662 5.011 4.340 0.016 0.000 0.286 298 L C -1.808 174.684 176.870 -0.630 0.000 1.023 298 L CA -2.297 52.199 54.840 -0.572 0.000 0.812 298 L CB 2.106 43.779 42.059 -0.644 0.000 1.223 298 L HN 0.422 nan 8.230 nan 0.000 0.421 299 P HA 0.136 nan 4.420 nan 0.000 0.238 299 P C -0.700 176.087 177.300 -0.855 0.000 1.794 299 P CA -0.297 61.715 63.100 -1.814 0.000 1.088 299 P CB 0.344 30.925 31.700 -1.864 0.000 1.923 300 S N 1.745 117.191 115.700 -0.424 0.000 2.596 300 S HA 0.289 4.769 4.470 0.016 0.000 0.298 300 S C 1.686 176.402 174.600 0.194 0.000 1.255 300 S CA 1.074 59.289 58.200 0.026 0.000 1.083 300 S CB -0.326 62.978 63.200 0.172 0.000 0.837 300 S HN 0.733 nan 8.310 nan 0.000 0.499 301 G N 1.705 110.620 108.800 0.192 0.000 2.284 301 G HA2 -0.220 3.749 3.960 0.016 0.000 0.201 301 G HA3 -0.220 3.749 3.960 0.016 0.000 0.201 301 G C 0.156 175.233 174.900 0.295 0.000 0.998 301 G CA -0.199 45.053 45.100 0.254 0.000 0.651 301 G HN 0.852 nan 8.290 nan 0.000 0.489 302 V N 3.008 123.092 119.914 0.283 0.000 2.872 302 V HA 0.479 4.608 4.120 0.016 0.000 0.307 302 V C -1.522 174.738 176.094 0.277 0.000 1.072 302 V CA -0.826 61.700 62.300 0.377 0.000 1.148 302 V CB 1.035 33.094 31.823 0.393 0.000 0.954 302 V HN 0.180 nan 8.190 nan 0.000 0.490 303 P HA 0.218 nan 4.420 nan 0.000 0.269 303 P C 0.317 177.710 177.300 0.156 0.000 1.209 303 P CA 0.062 63.267 63.100 0.175 0.000 0.776 303 P CB 0.182 31.971 31.700 0.150 0.000 0.876 304 C N 0.103 119.471 119.300 0.114 0.000 4.417 304 C HA -0.149 4.321 4.460 0.016 0.000 0.284 304 C C 2.261 177.356 174.990 0.176 0.000 1.379 304 C CA 1.195 60.258 59.018 0.074 0.000 1.918 304 C CB -3.385 24.302 27.740 -0.088 0.000 1.280 304 C HN 0.688 nan 8.230 nan 0.000 0.783 305 T N 0.555 115.228 114.554 0.198 0.000 2.607 305 T HA -0.225 4.135 4.350 0.016 0.000 0.267 305 T C 1.796 176.600 174.700 0.174 0.000 1.049 305 T CA 2.439 64.662 62.100 0.206 0.000 1.162 305 T CB -0.143 68.826 68.868 0.169 0.000 0.863 305 T HN 0.764 nan 8.240 nan 0.000 0.424 306 S N 0.897 116.677 115.700 0.132 0.000 2.368 306 S HA -0.131 4.349 4.470 0.016 0.000 0.225 306 S C 2.278 176.901 174.600 0.040 0.000 1.030 306 S CA 1.229 59.477 58.200 0.080 0.000 0.999 306 S CB -0.304 62.918 63.200 0.037 0.000 0.844 306 S HN 0.488 nan 8.310 nan 0.000 0.459 307 Q N -0.474 119.356 119.800 0.050 0.000 2.137 307 Q HA -0.004 4.346 4.340 0.016 0.000 0.198 307 Q C 1.729 177.821 176.000 0.153 0.000 0.960 307 Q CA 0.872 56.705 55.803 0.051 0.000 0.847 307 Q CB -0.287 28.453 28.738 0.004 0.000 0.915 307 Q HN 0.608 nan 8.270 nan 0.000 0.448 308 W N 1.810 123.079 121.300 -0.052 0.000 2.358 308 W HA -0.107 4.564 4.660 0.017 0.000 0.303 308 W C 1.443 177.980 176.519 0.031 0.000 1.208 308 W CA 1.296 58.613 57.345 -0.047 0.000 1.274 308 W CB -0.628 28.787 29.460 -0.075 0.000 1.138 308 W HN 0.159 nan 8.180 nan 0.000 0.515 309 N N -0.181 118.633 118.700 0.190 0.000 2.104 309 N HA -0.155 4.594 4.740 0.016 0.000 0.190 309 N C 1.855 177.480 175.510 0.193 0.000 1.024 309 N CA 2.182 55.350 53.050 0.197 0.000 0.853 309 N CB -0.763 37.836 38.487 0.186 0.000 1.008 309 N HN 0.040 nan 8.380 nan 0.000 0.424 310 S N 0.678 116.456 115.700 0.129 0.000 2.387 310 S HA 0.102 4.582 4.470 0.016 0.000 0.226 310 S C 2.104 176.799 174.600 0.158 0.000 1.026 310 S CA 0.364 58.626 58.200 0.102 0.000 0.972 310 S CB 0.052 63.294 63.200 0.071 0.000 0.814 310 S HN 0.272 nan 8.310 nan 0.000 0.477 311 I N 1.800 122.500 120.570 0.216 0.000 2.252 311 I HA -0.155 4.024 4.170 0.016 0.000 0.245 311 I C 2.707 178.925 176.117 0.168 0.000 1.102 311 I CA 1.000 62.451 61.300 0.252 0.000 1.385 311 I CB -0.475 37.640 38.000 0.190 0.000 1.064 311 I HN 0.255 nan 8.210 nan 0.000 0.414 312 A N -0.067 122.843 122.820 0.151 0.000 1.902 312 A HA -0.298 4.032 4.320 0.016 0.000 0.217 312 A C 2.196 179.835 177.584 0.092 0.000 1.181 312 A CA 1.915 53.997 52.037 0.075 0.000 0.623 312 A CB -1.146 17.856 19.000 0.003 0.000 0.818 312 A HN 0.523 nan 8.150 nan 0.000 0.443 313 H N -2.821 116.254 119.070 0.008 0.000 2.321 313 H HA -0.214 4.351 4.556 0.016 0.000 0.300 313 H C 1.956 176.936 175.328 -0.579 0.000 1.087 313 H CA 1.488 57.389 56.048 -0.246 0.000 1.319 313 H CB -0.157 29.248 29.762 -0.595 0.000 1.379 313 H HN 0.682 nan 8.280 nan 0.000 0.501 314 W N 1.572 122.479 121.300 -0.654 0.000 2.335 314 W HA -0.218 4.451 4.660 0.015 0.000 0.311 314 W C 1.971 178.380 176.519 -0.185 0.000 1.213 314 W CA 1.380 58.438 57.345 -0.477 0.000 1.274 314 W CB -0.928 28.489 29.460 -0.072 0.000 1.148 314 W HN 0.269 nan 8.180 nan 0.000 0.498 315 L N -0.123 121.128 121.223 0.047 0.000 2.012 315 L HA -0.286 4.063 4.340 0.016 0.000 0.210 315 L C 2.695 179.547 176.870 -0.030 0.000 1.073 315 L CA 1.552 56.364 54.840 -0.046 0.000 0.748 315 L CB -1.160 40.849 42.059 -0.084 0.000 0.891 315 L HN -0.075 nan 8.230 nan 0.000 0.431 316 L N -1.124 120.076 121.223 -0.038 0.000 2.046 316 L HA -0.205 4.145 4.340 0.016 0.000 0.208 316 L C 2.593 179.539 176.870 0.127 0.000 1.077 316 L CA 1.490 56.315 54.840 -0.026 0.000 0.747 316 L CB -0.768 41.267 42.059 -0.040 0.000 0.896 316 L HN 0.263 nan 8.230 nan 0.000 0.432 317 T N -0.011 114.608 114.554 0.108 0.000 2.777 317 T HA -0.122 4.237 4.350 0.016 0.000 0.266 317 T C 1.977 176.761 174.700 0.140 0.000 1.040 317 T CA 1.058 63.239 62.100 0.135 0.000 1.141 317 T CB -0.193 68.683 68.868 0.014 0.000 0.868 317 T HN 0.165 nan 8.240 nan 0.000 0.444 318 L N 0.434 121.742 121.223 0.141 0.000 2.012 318 L HA -0.156 4.194 4.340 0.016 0.000 0.210 318 L C 2.902 179.878 176.870 0.176 0.000 1.073 318 L CA 1.110 56.077 54.840 0.212 0.000 0.748 318 L CB -0.648 41.540 42.059 0.215 0.000 0.891 318 L HN 0.398 nan 8.230 nan 0.000 0.431 319 C N -0.575 118.807 119.300 0.137 0.000 2.432 319 C HA -0.150 4.319 4.460 0.016 0.000 0.277 319 C C 3.120 178.273 174.990 0.272 0.000 1.249 319 C CA 0.749 59.858 59.018 0.151 0.000 1.725 319 C CB -1.026 26.728 27.740 0.025 0.000 2.028 319 C HN 0.633 nan 8.230 nan 0.000 0.477 320 A N 0.266 123.298 122.820 0.355 0.000 1.873 320 A HA -0.072 4.258 4.320 0.016 0.000 0.215 320 A C 2.102 179.783 177.584 0.161 0.000 1.186 320 A CA 1.403 53.601 52.037 0.268 0.000 0.616 320 A CB -0.625 18.525 19.000 0.250 0.000 0.823 320 A HN 0.606 nan 8.150 nan 0.000 0.442 321 L N -0.701 120.638 121.223 0.192 0.000 2.083 321 L HA -0.151 4.199 4.340 0.016 0.000 0.209 321 L C 2.903 179.861 176.870 0.148 0.000 1.083 321 L CA 1.443 56.392 54.840 0.181 0.000 0.752 321 L CB -0.471 41.740 42.059 0.253 0.000 0.899 321 L HN 0.499 nan 8.230 nan 0.000 0.433 322 S N -0.215 115.578 115.700 0.154 0.000 2.356 322 S HA -0.204 4.276 4.470 0.016 0.000 0.223 322 S C 1.873 176.530 174.600 0.096 0.000 1.032 322 S CA 1.447 59.721 58.200 0.123 0.000 1.005 322 S CB -0.089 63.183 63.200 0.119 0.000 0.867 322 S HN 0.431 nan 8.310 nan 0.000 0.449 323 E N 0.231 120.492 120.200 0.102 0.000 2.106 323 E HA -0.087 4.272 4.350 0.016 0.000 0.192 323 E C 2.077 178.702 176.600 0.041 0.000 0.984 323 E CA 1.494 57.938 56.400 0.074 0.000 0.806 323 E CB -0.149 29.604 29.700 0.089 0.000 0.750 323 E HN 0.659 nan 8.360 nan 0.000 0.458 324 V N -1.056 118.880 119.914 0.037 0.000 3.306 324 V HA 0.016 4.146 4.120 0.016 0.000 0.264 324 V C 1.875 177.980 176.094 0.020 0.000 1.149 324 V CA 1.494 63.801 62.300 0.012 0.000 1.143 324 V CB -0.179 31.641 31.823 -0.006 0.000 0.767 324 V HN 0.227 nan 8.190 nan 0.000 0.476 325 T N -4.578 110.000 114.554 0.040 0.000 2.975 325 T HA 0.204 4.564 4.350 0.016 0.000 0.257 325 T C 0.944 175.668 174.700 0.040 0.000 1.003 325 T CA 0.412 62.536 62.100 0.040 0.000 0.932 325 T CB -0.343 68.559 68.868 0.058 0.000 1.087 325 T HN 0.394 nan 8.240 nan 0.000 0.512 326 N N 1.215 119.941 118.700 0.043 0.000 2.741 326 N HA -0.111 4.639 4.740 0.016 0.000 0.250 326 N C -0.791 174.746 175.510 0.046 0.000 1.115 326 N CA 0.529 53.603 53.050 0.040 0.000 0.724 326 N CB -1.528 36.977 38.487 0.029 0.000 1.090 326 N HN 0.555 nan 8.380 nan 0.000 0.558 327 L N 0.772 122.030 121.223 0.059 0.000 2.325 327 L HA 0.374 4.723 4.340 0.016 0.000 0.278 327 L C 1.024 177.938 176.870 0.074 0.000 1.023 327 L CA -0.718 54.160 54.840 0.064 0.000 0.811 327 L CB 1.721 43.823 42.059 0.072 0.000 1.249 327 L HN 0.080 nan 8.230 nan 0.000 0.431 328 S N 1.336 117.076 115.700 0.067 0.000 2.579 328 S HA 0.187 4.667 4.470 0.016 0.000 0.275 328 S C -1.945 172.710 174.600 0.092 0.000 1.345 328 S CA -0.951 57.290 58.200 0.069 0.000 1.031 328 S CB 0.775 64.008 63.200 0.054 0.000 0.892 328 S HN 0.434 nan 8.310 nan 0.000 0.529 329 P HA -0.095 nan 4.420 nan 0.000 0.217 329 P C 0.721 178.101 177.300 0.134 0.000 1.148 329 P CA 1.195 64.375 63.100 0.133 0.000 0.828 329 P CB -0.033 31.731 31.700 0.105 0.000 0.783 330 D N -1.179 119.277 120.400 0.094 0.000 2.117 330 D HA -0.124 4.526 4.640 0.016 0.000 0.197 330 D C 1.723 178.073 176.300 0.084 0.000 0.987 330 D CA 1.015 55.065 54.000 0.084 0.000 0.829 330 D CB -0.578 40.258 40.800 0.059 0.000 0.961 330 D HN 0.087 nan 8.370 nan 0.000 0.460 331 I N 0.471 121.090 120.570 0.081 0.000 2.353 331 I HA -0.159 4.020 4.170 0.016 0.000 0.248 331 I C 2.058 178.230 176.117 0.091 0.000 1.119 331 I CA 0.396 61.741 61.300 0.076 0.000 1.417 331 I CB -0.051 37.989 38.000 0.067 0.000 1.078 331 I HN 0.028 nan 8.210 nan 0.000 0.421 332 I N -0.006 120.638 120.570 0.124 0.000 2.179 332 I HA -0.306 3.874 4.170 0.016 0.000 0.242 332 I C 2.516 178.708 176.117 0.126 0.000 1.088 332 I CA 1.537 62.934 61.300 0.162 0.000 1.357 332 I CB -1.268 36.878 38.000 0.242 0.000 1.051 332 I HN 0.309 nan 8.210 nan 0.000 0.409 333 Q N 1.177 121.066 119.800 0.148 0.000 2.124 333 Q HA -0.090 4.260 4.340 0.016 0.000 0.202 333 Q C 2.210 178.198 176.000 -0.020 0.000 0.977 333 Q CA 2.173 58.024 55.803 0.080 0.000 0.850 333 Q CB -0.312 28.547 28.738 0.202 0.000 0.901 333 Q HN 0.466 nan 8.270 nan 0.000 0.429 334 A N 0.156 122.995 122.820 0.031 0.000 1.972 334 A HA -0.104 4.226 4.320 0.016 0.000 0.219 334 A C 1.460 179.066 177.584 0.037 0.000 1.169 334 A CA 1.521 53.575 52.037 0.027 0.000 0.635 334 A CB -0.240 18.784 19.000 0.041 0.000 0.810 334 A HN 0.446 nan 8.150 nan 0.000 0.446 335 N N -0.199 118.527 118.700 0.044 0.000 2.234 335 N HA 0.167 4.917 4.740 0.016 0.000 0.227 335 N C -0.818 174.747 175.510 0.092 0.000 1.151 335 N CA 0.214 53.331 53.050 0.111 0.000 0.865 335 N CB 0.738 39.285 38.487 0.101 0.000 1.066 335 N HN 0.279 nan 8.380 nan 0.000 0.515 336 S N 0.393 115.987 115.700 -0.176 0.000 2.627 336 S HA 0.586 5.065 4.470 0.016 0.000 0.283 336 S C -1.141 172.836 174.600 -1.038 0.000 1.127 336 S CA -0.589 57.239 58.200 -0.619 0.000 0.863 336 S CB 2.620 65.501 63.200 -0.531 0.000 1.121 336 S HN 0.093 nan 8.310 nan 0.000 0.479 337 L N 2.109 122.530 121.223 -1.336 0.000 2.409 337 L HA 0.720 5.069 4.340 0.016 0.000 0.272 337 L C -2.013 174.293 176.870 -0.941 0.000 0.980 337 L CA -0.267 53.874 54.840 -1.165 0.000 0.826 337 L CB 0.861 42.232 42.059 -1.148 0.000 1.268 337 L HN 0.553 nan 8.230 nan 0.000 0.407 338 F N 1.888 121.454 119.950 -0.641 0.000 2.507 338 F HA 0.707 5.244 4.527 0.016 0.000 0.327 338 F C 0.374 175.678 175.800 -0.826 0.000 1.068 338 F CA -1.000 56.513 58.000 -0.813 0.000 0.965 338 F CB 2.173 40.491 39.000 -1.137 0.000 1.192 338 F HN 0.304 nan 8.300 nan 0.000 0.476 339 S N 2.199 117.476 115.700 -0.706 0.000 2.756 339 S HA 0.682 5.162 4.470 0.016 0.000 0.303 339 S C -1.474 172.698 174.600 -0.714 0.000 1.135 339 S CA -0.432 57.363 58.200 -0.676 0.000 1.066 339 S CB 0.279 63.031 63.200 -0.747 0.000 1.008 339 S HN 0.302 nan 8.310 nan 0.000 0.482 340 F N 2.435 122.330 119.950 -0.092 0.000 2.520 340 F HA 0.542 5.078 4.527 0.016 0.000 0.322 340 F C -0.514 175.396 175.800 0.183 0.000 1.103 340 F CA -1.103 56.866 58.000 -0.053 0.000 0.926 340 F CB 1.135 39.942 39.000 -0.321 0.000 1.154 340 F HN 0.495 nan 8.300 nan 0.000 0.453 341 Y N 2.045 122.519 120.300 0.290 0.000 2.445 341 Y HA 0.521 5.081 4.550 0.016 0.000 0.332 341 Y C 0.482 176.374 175.900 -0.013 0.000 1.037 341 Y CA -0.364 57.791 58.100 0.092 0.000 1.296 341 Y CB 1.071 39.495 38.460 -0.060 0.000 1.099 341 Y HN 0.848 nan 8.280 nan 0.000 0.496 342 G N 4.460 113.348 108.800 0.146 0.000 2.634 342 G HA2 -0.427 3.542 3.960 0.016 0.000 0.318 342 G HA3 -0.427 3.542 3.960 0.016 0.000 0.318 342 G C 0.870 175.561 174.900 -0.348 0.000 1.207 342 G CA 0.994 46.060 45.100 -0.056 0.000 0.987 342 G HN 0.732 nan 8.290 nan 0.000 0.547 343 D N 1.539 121.608 120.400 -0.553 0.000 2.367 343 D HA 0.167 4.816 4.640 0.016 0.000 0.207 343 D C 0.319 176.662 176.300 0.072 0.000 1.034 343 D CA 0.665 54.209 54.000 -0.759 0.000 0.861 343 D CB -0.287 40.040 40.800 -0.790 0.000 0.943 343 D HN 0.337 nan 8.370 nan 0.000 0.515 344 D N 1.405 121.873 120.400 0.112 0.000 2.424 344 D HA 0.227 4.877 4.640 0.016 0.000 0.244 344 D C 0.198 176.793 176.300 0.491 0.000 1.134 344 D CA 0.450 54.581 54.000 0.218 0.000 0.881 344 D CB 0.687 41.426 40.800 -0.101 0.000 1.191 344 D HN 0.451 nan 8.370 nan 0.000 0.445 345 E N 1.132 121.636 120.200 0.506 0.000 2.352 345 E HA 0.558 4.918 4.350 0.016 0.000 0.280 345 E C -1.318 175.318 176.600 0.059 0.000 0.930 345 E CA -0.805 55.783 56.400 0.313 0.000 0.765 345 E CB 1.247 31.156 29.700 0.348 0.000 1.219 345 E HN 0.254 nan 8.360 nan 0.000 0.434 346 I N 2.466 122.834 120.570 -0.336 0.000 2.436 346 I HA 0.356 4.536 4.170 0.016 0.000 0.289 346 I C -1.012 174.858 176.117 -0.413 0.000 1.010 346 I CA -1.283 59.753 61.300 -0.441 0.000 1.098 346 I CB 2.112 39.673 38.000 -0.731 0.000 1.266 346 I HN 0.398 nan 8.210 nan 0.000 0.434 347 V N 5.108 124.742 119.914 -0.467 0.000 2.409 347 V HA 0.418 4.547 4.120 0.016 0.000 0.291 347 V C -0.124 175.838 176.094 -0.220 0.000 1.020 347 V CA -0.330 61.761 62.300 -0.349 0.000 0.848 347 V CB 1.736 33.183 31.823 -0.627 0.000 0.990 347 V HN 0.739 nan 8.190 nan 0.000 0.430 348 S N 2.989 118.624 115.700 -0.108 0.000 2.482 348 S HA 0.816 5.296 4.470 0.016 0.000 0.303 348 S C -0.232 174.155 174.600 -0.356 0.000 1.091 348 S CA -0.516 57.603 58.200 -0.136 0.000 1.057 348 S CB 1.960 65.179 63.200 0.031 0.000 1.031 348 S HN 0.849 nan 8.310 nan 0.000 0.485 349 T N 0.529 115.004 114.554 -0.132 0.000 2.885 349 T HA 0.318 4.678 4.350 0.016 0.000 0.322 349 T C -1.074 173.771 174.700 0.242 0.000 1.387 349 T CA -0.555 61.559 62.100 0.023 0.000 1.041 349 T CB 1.384 70.315 68.868 0.105 0.000 1.287 349 T HN 0.416 nan 8.240 nan 0.000 0.491 350 D N 1.901 122.474 120.400 0.288 0.000 2.349 350 D HA 0.274 4.924 4.640 0.016 0.000 0.214 350 D C 0.351 176.817 176.300 0.276 0.000 1.063 350 D CA 0.292 54.424 54.000 0.220 0.000 0.847 350 D CB 0.232 41.107 40.800 0.125 0.000 0.933 350 D HN 0.501 nan 8.370 nan 0.000 0.513 351 I N 1.139 121.869 120.570 0.267 0.000 2.342 351 I HA 0.084 4.264 4.170 0.016 0.000 0.291 351 I C 0.564 176.750 176.117 0.115 0.000 1.010 351 I CA -0.912 60.499 61.300 0.185 0.000 1.308 351 I CB 1.138 39.218 38.000 0.132 0.000 1.400 351 I HN -0.397 nan 8.210 nan 0.000 0.488 352 K N 7.371 127.786 120.400 0.026 0.000 2.412 352 K HA 0.367 4.697 4.320 0.016 0.000 0.284 352 K C -1.224 175.264 176.600 -0.186 0.000 1.046 352 K CA 0.362 56.502 56.287 -0.244 0.000 0.999 352 K CB 0.136 32.571 32.500 -0.108 0.000 0.941 352 K HN 0.487 nan 8.250 nan 0.000 0.474 353 L N 2.760 123.819 121.223 -0.273 0.000 2.342 353 L HA 0.387 4.737 4.340 0.016 0.000 0.271 353 L C -0.230 176.551 176.870 -0.148 0.000 1.008 353 L CA -1.181 53.574 54.840 -0.141 0.000 0.818 353 L CB 1.675 43.687 42.059 -0.078 0.000 1.296 353 L HN 0.593 nan 8.230 nan 0.000 0.427 354 D N 3.411 123.752 120.400 -0.099 0.000 2.339 354 D HA 0.173 4.822 4.640 0.016 0.000 0.241 354 D C -1.625 174.613 176.300 -0.104 0.000 1.183 354 D CA -1.892 52.054 54.000 -0.091 0.000 0.859 354 D CB 1.720 42.480 40.800 -0.066 0.000 1.067 354 D HN 0.231 nan 8.370 nan 0.000 0.484 355 P HA -0.099 nan 4.420 nan 0.000 0.221 355 P C 1.064 178.293 177.300 -0.118 0.000 1.150 355 P CA 0.709 63.727 63.100 -0.137 0.000 0.800 355 P CB 0.651 32.285 31.700 -0.111 0.000 0.787 356 E N 0.536 120.684 120.200 -0.088 0.000 2.076 356 E HA -0.105 4.255 4.350 0.016 0.000 0.190 356 E C 1.966 178.519 176.600 -0.077 0.000 0.979 356 E CA 0.861 57.216 56.400 -0.074 0.000 0.807 356 E CB -0.028 29.638 29.700 -0.057 0.000 0.761 356 E HN 0.137 nan 8.360 nan 0.000 0.454 357 K N 0.221 120.575 120.400 -0.076 0.000 2.103 357 K HA -0.126 4.204 4.320 0.016 0.000 0.204 357 K C 2.166 178.712 176.600 -0.090 0.000 1.052 357 K CA 0.653 56.895 56.287 -0.074 0.000 0.945 357 K CB -0.064 32.400 32.500 -0.060 0.000 0.722 357 K HN 0.100 nan 8.250 nan 0.000 0.443 358 L N 1.266 122.429 121.223 -0.101 0.000 2.027 358 L HA -0.146 4.203 4.340 0.016 0.000 0.206 358 L C 1.962 178.763 176.870 -0.115 0.000 1.074 358 L CA 1.960 56.733 54.840 -0.111 0.000 0.745 358 L CB -0.815 41.147 42.059 -0.160 0.000 0.898 358 L HN 0.074 nan 8.230 nan 0.000 0.433 359 T N 0.078 114.558 114.554 -0.123 0.000 2.720 359 T HA -0.188 4.171 4.350 0.016 0.000 0.268 359 T C 1.892 176.541 174.700 -0.085 0.000 1.037 359 T CA 1.428 63.470 62.100 -0.098 0.000 1.144 359 T CB -0.631 68.179 68.868 -0.096 0.000 0.864 359 T HN 0.527 nan 8.240 nan 0.000 0.444 360 A N 1.385 124.148 122.820 -0.095 0.000 1.930 360 A HA -0.049 4.281 4.320 0.016 0.000 0.217 360 A C 2.213 179.709 177.584 -0.146 0.000 1.175 360 A CA 1.785 53.763 52.037 -0.099 0.000 0.627 360 A CB -0.429 18.520 19.000 -0.085 0.000 0.815 360 A HN 0.342 nan 8.150 nan 0.000 0.443 361 K N 0.169 120.457 120.400 -0.187 0.000 2.062 361 K HA 0.064 4.394 4.320 0.016 0.000 0.205 361 K C 1.696 177.982 176.600 -0.522 0.000 1.051 361 K CA 1.236 57.318 56.287 -0.342 0.000 0.941 361 K CB -0.605 31.718 32.500 -0.295 0.000 0.719 361 K HN 0.447 nan 8.250 nan 0.000 0.440 362 L N 0.481 121.546 121.223 -0.264 0.000 2.046 362 L HA -0.165 4.184 4.340 0.016 0.000 0.208 362 L C 2.290 179.126 176.870 -0.056 0.000 1.077 362 L CA 1.489 56.269 54.840 -0.100 0.000 0.747 362 L CB -0.335 41.799 42.059 0.126 0.000 0.896 362 L HN 0.144 nan 8.230 nan 0.000 0.432 363 K N -0.251 120.108 120.400 -0.067 0.000 2.148 363 K HA -0.216 4.114 4.320 0.016 0.000 0.204 363 K C 2.023 178.584 176.600 -0.066 0.000 1.050 363 K CA 1.137 57.398 56.287 -0.043 0.000 0.942 363 K CB -0.083 32.391 32.500 -0.045 0.000 0.724 363 K HN 0.312 nan 8.250 nan 0.000 0.446 364 E N 0.200 120.317 120.200 -0.138 0.000 2.153 364 E HA -0.188 4.172 4.350 0.016 0.000 0.194 364 E C 1.104 177.699 176.600 -0.008 0.000 0.988 364 E CA 1.030 57.360 56.400 -0.115 0.000 0.811 364 E CB 0.080 29.665 29.700 -0.191 0.000 0.746 364 E HN 0.310 nan 8.360 nan 0.000 0.466 365 Y N -0.514 119.754 120.300 -0.052 0.000 2.632 365 Y HA 0.143 4.703 4.550 0.017 0.000 0.301 365 Y C 1.802 177.629 175.900 -0.122 0.000 1.172 365 Y CA 0.799 58.848 58.100 -0.085 0.000 1.328 365 Y CB -0.024 38.381 38.460 -0.092 0.000 1.016 365 Y HN 0.259 nan 8.280 nan 0.000 0.529 366 G N -0.376 108.443 108.800 0.031 0.000 2.175 366 G HA2 -0.261 3.708 3.960 0.016 0.000 0.244 366 G HA3 -0.261 3.708 3.960 0.016 0.000 0.244 366 G C 0.136 174.989 174.900 -0.078 0.000 0.982 366 G CA 0.069 45.141 45.100 -0.048 0.000 0.641 366 G HN 0.261 nan 8.290 nan 0.000 0.527 367 L N 0.168 121.371 121.223 -0.034 0.000 2.453 367 L HA 0.508 4.857 4.340 0.016 0.000 0.261 367 L C 0.626 177.560 176.870 0.107 0.000 1.179 367 L CA -0.375 54.464 54.840 -0.002 0.000 0.813 367 L CB 0.624 42.709 42.059 0.045 0.000 1.110 367 L HN -0.125 nan 8.230 nan 0.000 0.466 368 K N 2.516 123.041 120.400 0.208 0.000 2.606 368 K HA 0.323 4.653 4.320 0.016 0.000 0.196 368 K C -2.526 174.171 176.600 0.162 0.000 1.048 368 K CA -1.614 54.761 56.287 0.146 0.000 1.017 368 K CB 0.976 33.521 32.500 0.075 0.000 1.413 368 K HN 0.253 nan 8.250 nan 0.000 0.568 369 P HA 0.022 nan 4.420 nan 0.000 0.271 369 P C -0.149 177.033 177.300 -0.197 0.000 1.216 369 P CA 0.206 63.130 63.100 -0.293 0.000 0.771 369 P CB 0.810 32.398 31.700 -0.186 0.000 0.864 370 T N 0.181 114.585 114.554 -0.250 0.000 2.896 370 T HA 0.503 4.862 4.350 0.016 0.000 0.297 370 T C 0.039 174.675 174.700 -0.107 0.000 1.108 370 T CA -1.226 60.801 62.100 -0.123 0.000 1.004 370 T CB 1.297 70.127 68.868 -0.064 0.000 1.159 370 T HN 0.217 nan 8.240 nan 0.000 0.499 371 R N 1.713 122.180 120.500 -0.054 0.000 2.537 371 R HA 0.220 4.569 4.340 0.016 0.000 0.280 371 R C -1.742 174.550 176.300 -0.013 0.000 1.058 371 R CA -1.430 54.657 56.100 -0.023 0.000 1.057 371 R CB 0.101 30.395 30.300 -0.010 0.000 0.973 371 R HN 0.476 nan 8.270 nan 0.000 0.438 372 P HA -0.176 nan 4.420 nan 0.000 0.219 372 P C 0.149 177.457 177.300 0.013 0.000 1.146 372 P CA 1.273 64.381 63.100 0.013 0.000 0.808 372 P CB 0.148 31.864 31.700 0.027 0.000 0.779 373 D N -1.024 119.382 120.400 0.009 0.000 2.277 373 D HA -0.077 4.573 4.640 0.016 0.000 0.208 373 D C -0.084 176.223 176.300 0.011 0.000 0.962 373 D CA 0.208 54.214 54.000 0.011 0.000 0.865 373 D CB -0.815 39.990 40.800 0.007 0.000 0.939 373 D HN -0.015 nan 8.370 nan 0.000 0.510 374 K N -0.828 119.574 120.400 0.004 0.000 6.281 374 K HA -0.127 4.202 4.320 0.016 0.000 0.629 374 K C -0.329 176.271 176.600 -0.000 0.000 1.517 374 K CA 0.554 56.841 56.287 -0.000 0.000 1.607 374 K CB -1.646 30.858 32.500 0.006 0.000 1.837 374 K HN 0.225 nan 8.250 nan 0.000 0.354 375 T N -0.020 114.531 114.554 -0.005 0.000 3.361 375 T HA 0.041 4.401 4.350 0.016 0.000 0.241 375 T C 1.022 175.717 174.700 -0.008 0.000 0.998 375 T CA 0.635 62.733 62.100 -0.004 0.000 1.215 375 T CB 0.100 68.966 68.868 -0.003 0.000 1.196 375 T HN 0.588 nan 8.240 nan 0.000 0.376 376 E N 0.036 120.228 120.200 -0.013 0.000 3.151 376 E HA 0.423 4.783 4.350 0.016 0.000 0.246 376 E C 0.390 176.977 176.600 -0.022 0.000 1.150 376 E CA 1.108 57.499 56.400 -0.015 0.000 1.806 376 E CB 0.518 30.210 29.700 -0.013 0.000 2.295 376 E HN 0.647 nan 8.360 nan 0.000 1.000 377 G N 1.261 110.046 108.800 -0.025 0.000 2.662 377 G HA2 -0.021 3.948 3.960 0.016 0.000 0.686 377 G HA3 -0.021 3.948 3.960 0.016 0.000 0.686 377 G C -2.412 172.468 174.900 -0.033 0.000 1.271 377 G CA -0.413 44.667 45.100 -0.035 0.000 0.816 377 G HN 0.289 nan 8.290 nan 0.000 0.608 378 P HA 0.545 nan 4.420 nan 0.000 0.312 378 P C 0.589 177.850 177.300 -0.064 0.000 1.308 378 P CA -0.720 62.345 63.100 -0.059 0.000 0.743 378 P CB 0.413 32.073 31.700 -0.067 0.000 1.364 379 L N -0.339 120.826 121.223 -0.096 0.000 2.490 379 L HA 0.115 4.465 4.340 0.016 0.000 0.274 379 L C 0.127 176.950 176.870 -0.078 0.000 1.201 379 L CA -0.350 54.427 54.840 -0.104 0.000 0.869 379 L CB 0.178 42.105 42.059 -0.220 0.000 1.123 379 L HN 0.023 nan 8.230 nan 0.000 0.484 380 V N 5.278 125.185 119.914 -0.012 0.000 2.370 380 V HA 0.321 4.450 4.120 0.016 0.000 0.279 380 V C 0.302 176.444 176.094 0.080 0.000 1.029 380 V CA -0.368 61.944 62.300 0.021 0.000 0.870 380 V CB 1.437 33.280 31.823 0.034 0.000 0.984 380 V HN 0.469 nan 8.190 nan 0.000 0.451 381 I N 4.138 124.749 120.570 0.069 0.000 2.325 381 I HA 0.349 4.528 4.170 0.016 0.000 0.291 381 I C 0.489 176.707 176.117 0.169 0.000 1.019 381 I CA 0.479 61.865 61.300 0.145 0.000 1.302 381 I CB 1.438 39.483 38.000 0.076 0.000 1.401 381 I HN 0.647 nan 8.210 nan 0.000 0.485 382 S N 4.233 120.067 115.700 0.224 0.000 2.578 382 S HA 0.347 4.827 4.470 0.016 0.000 0.301 382 S C 0.509 175.282 174.600 0.288 0.000 1.091 382 S CA -0.588 57.742 58.200 0.216 0.000 1.032 382 S CB 1.411 64.713 63.200 0.170 0.000 1.064 382 S HN 0.671 nan 8.310 nan 0.000 0.508 383 E N 1.131 121.472 120.200 0.234 0.000 2.465 383 E HA 0.130 4.490 4.350 0.016 0.000 0.191 383 E C -0.912 175.835 176.600 0.245 0.000 1.053 383 E CA 0.090 56.603 56.400 0.189 0.000 0.869 383 E CB 0.377 30.133 29.700 0.094 0.000 0.977 383 E HN 0.477 nan 8.360 nan 0.000 0.483 384 D N 0.198 120.747 120.400 0.248 0.000 2.629 384 D HA 0.078 4.727 4.640 0.016 0.000 0.250 384 D C 0.155 176.471 176.300 0.027 0.000 1.126 384 D CA -0.520 53.575 54.000 0.160 0.000 0.852 384 D CB 1.830 42.696 40.800 0.109 0.000 1.335 384 D HN -0.105 nan 8.370 nan 0.000 0.518 385 L N 4.124 125.212 121.223 -0.226 0.000 2.156 385 L HA 0.164 4.513 4.340 0.016 0.000 0.208 385 L C 0.452 177.240 176.870 -0.137 0.000 1.095 385 L CA 0.890 55.430 54.840 -0.500 0.000 0.770 385 L CB -0.771 40.732 42.059 -0.927 0.000 0.914 385 L HN 0.438 nan 8.230 nan 0.000 0.439 386 N N 0.415 119.198 118.700 0.137 0.000 2.294 386 N HA 0.246 4.996 4.740 0.016 0.000 0.263 386 N C 1.034 176.532 175.510 -0.021 0.000 1.281 386 N CA 1.375 54.482 53.050 0.095 0.000 0.846 386 N CB 0.321 38.831 38.487 0.039 0.000 1.061 386 N HN 0.490 nan 8.380 nan 0.000 0.478 387 G N 1.637 110.394 108.800 -0.072 0.000 2.232 387 G HA2 -0.246 3.724 3.960 0.016 0.000 0.226 387 G HA3 -0.246 3.724 3.960 0.016 0.000 0.226 387 G C -0.122 174.729 174.900 -0.081 0.000 0.996 387 G CA 0.022 45.081 45.100 -0.070 0.000 0.626 387 G HN 0.538 nan 8.290 nan 0.000 0.509 388 L N 1.983 123.135 121.223 -0.118 0.000 2.472 388 L HA 0.645 4.995 4.340 0.016 0.000 0.260 388 L C 1.245 178.034 176.870 -0.134 0.000 1.209 388 L CA 1.002 55.770 54.840 -0.121 0.000 0.817 388 L CB 1.111 43.068 42.059 -0.171 0.000 1.106 388 L HN 0.491 nan 8.230 nan 0.000 0.479 389 T N -1.218 113.297 114.554 -0.065 0.000 2.893 389 T HA 0.721 5.081 4.350 0.016 0.000 0.291 389 T C -0.951 173.815 174.700 0.111 0.000 1.028 389 T CA -0.616 61.476 62.100 -0.015 0.000 0.995 389 T CB 1.482 70.348 68.868 -0.002 0.000 1.051 389 T HN 0.276 nan 8.240 nan 0.000 0.470 390 F N 3.537 123.439 119.950 -0.079 0.000 2.651 390 F HA 0.464 5.000 4.527 0.016 0.000 0.329 390 F C -0.290 175.511 175.800 0.001 0.000 1.186 390 F CA -1.632 56.352 58.000 -0.028 0.000 1.046 390 F CB 1.036 40.032 39.000 -0.005 0.000 1.296 390 F HN 0.811 nan 8.300 nan 0.000 0.497 391 L N 6.708 127.627 121.223 -0.508 0.000 3.597 391 L HA -0.325 4.024 4.340 0.016 0.000 0.440 391 L C 0.842 177.610 176.870 -0.170 0.000 1.277 391 L CA 0.837 55.426 54.840 -0.419 0.000 0.852 391 L CB -1.346 40.419 42.059 -0.491 0.000 1.708 391 L HN 0.886 nan 8.230 nan 0.000 0.885 392 R N -1.759 118.677 120.500 -0.106 0.000 3.758 392 R HA -0.164 4.186 4.340 0.016 0.000 0.299 392 R C 0.270 176.565 176.300 -0.007 0.000 1.182 392 R CA 1.376 57.451 56.100 -0.043 0.000 0.809 392 R CB -0.882 29.393 30.300 -0.040 0.000 1.249 392 R HN 0.560 nan 8.270 nan 0.000 0.497 393 R N -0.080 120.424 120.500 0.007 0.000 2.534 393 R HA 0.277 4.626 4.340 0.016 0.000 0.301 393 R C -0.470 175.819 176.300 -0.020 0.000 0.961 393 R CA -0.604 55.513 56.100 0.028 0.000 0.871 393 R CB 1.939 32.291 30.300 0.086 0.000 1.170 393 R HN -0.105 nan 8.270 nan 0.000 0.446 394 T N 2.947 117.467 114.554 -0.057 0.000 2.761 394 T HA 0.107 4.467 4.350 0.016 0.000 0.296 394 T C 0.470 175.024 174.700 -0.242 0.000 0.934 394 T CA -0.572 61.452 62.100 -0.126 0.000 1.091 394 T CB 0.696 69.504 68.868 -0.100 0.000 0.896 394 T HN 0.400 nan 8.240 nan 0.000 0.515 395 V N 2.906 122.612 119.914 -0.346 0.000 2.479 395 V HA 0.569 4.698 4.120 0.016 0.000 0.281 395 V C 0.042 175.943 176.094 -0.320 0.000 1.031 395 V CA -0.322 61.657 62.300 -0.536 0.000 1.038 395 V CB 0.044 31.329 31.823 -0.896 0.000 0.981 395 V HN 0.866 nan 8.190 nan 0.000 0.478 396 T N 5.503 119.810 114.554 -0.412 0.000 2.900 396 T HA 0.610 4.970 4.350 0.016 0.000 0.295 396 T C -0.518 173.831 174.700 -0.586 0.000 1.044 396 T CA -0.677 61.086 62.100 -0.562 0.000 0.995 396 T CB 2.093 70.382 68.868 -0.966 0.000 1.072 396 T HN 0.881 nan 8.240 nan 0.000 0.473 397 R N 1.746 121.881 120.500 -0.609 0.000 2.670 397 R HA 0.580 4.930 4.340 0.016 0.000 0.289 397 R C -1.451 174.690 176.300 -0.266 0.000 0.965 397 R CA -0.585 55.072 56.100 -0.738 0.000 0.899 397 R CB 1.220 30.579 30.300 -1.568 0.000 1.173 397 R HN 0.914 nan 8.270 nan 0.000 0.456 398 D N 3.199 123.565 120.400 -0.057 0.000 2.592 398 D HA 0.322 4.971 4.640 0.016 0.000 0.263 398 D C -2.172 174.122 176.300 -0.010 0.000 1.132 398 D CA -1.782 52.238 54.000 0.033 0.000 0.996 398 D CB 1.087 42.016 40.800 0.215 0.000 1.442 398 D HN 0.141 nan 8.370 nan 0.000 0.486 399 P HA -0.066 nan 4.420 nan 0.000 0.218 399 P C 1.071 178.394 177.300 0.039 0.000 1.146 399 P CA 2.400 65.504 63.100 0.006 0.000 0.820 399 P CB 0.007 31.713 31.700 0.011 0.000 0.778 400 A N -1.674 121.210 122.820 0.106 0.000 2.119 400 A HA 0.444 4.774 4.320 0.016 0.000 0.216 400 A C 1.233 178.925 177.584 0.179 0.000 1.152 400 A CA 1.315 53.452 52.037 0.167 0.000 0.708 400 A CB -0.611 18.602 19.000 0.355 0.000 0.805 400 A HN 0.364 nan 8.150 nan 0.000 0.460 401 G N -2.866 106.008 108.800 0.124 0.000 2.302 401 G HA2 0.168 4.137 3.960 0.016 0.000 0.276 401 G HA3 0.168 4.137 3.960 0.016 0.000 0.276 401 G C -1.385 173.583 174.900 0.113 0.000 1.316 401 G CA -0.654 44.522 45.100 0.126 0.000 0.988 401 G HN 0.343 nan 8.290 nan 0.000 0.479 402 W N 0.345 121.796 121.300 0.253 0.000 2.449 402 W HA 0.760 5.430 4.660 0.016 0.000 0.331 402 W C 0.222 176.994 176.519 0.423 0.000 1.119 402 W CA -0.041 57.463 57.345 0.265 0.000 1.240 402 W CB 1.357 30.959 29.460 0.237 0.000 1.251 402 W HN 0.663 nan 8.180 nan 0.000 0.576 403 F N -0.124 120.059 119.950 0.389 0.000 2.713 403 F HA 0.798 5.335 4.527 0.016 0.000 0.311 403 F C -0.415 175.538 175.800 0.255 0.000 1.141 403 F CA -2.273 55.895 58.000 0.279 0.000 0.939 403 F CB 0.688 39.706 39.000 0.030 0.000 1.325 403 F HN 0.442 nan 8.300 nan 0.000 0.453 404 G N 1.773 110.795 108.800 0.371 0.000 2.384 404 G HA2 0.524 4.494 3.960 0.016 0.000 0.316 404 G HA3 0.524 4.494 3.960 0.016 0.000 0.316 404 G C -1.446 173.531 174.900 0.129 0.000 1.160 404 G CA -0.961 44.255 45.100 0.192 0.000 0.936 404 G HN 0.651 nan 8.290 nan 0.000 0.455 405 K N 1.839 122.224 120.400 -0.026 0.000 2.276 405 K HA 0.248 4.577 4.320 0.016 0.000 0.285 405 K C -0.140 176.489 176.600 0.047 0.000 1.062 405 K CA -0.638 55.619 56.287 -0.049 0.000 0.918 405 K CB 1.759 34.103 32.500 -0.260 0.000 1.055 405 K HN 0.381 nan 8.250 nan 0.000 0.477 406 L N 3.129 124.442 121.223 0.149 0.000 2.416 406 L HA 0.078 4.428 4.340 0.016 0.000 0.272 406 L C 0.048 177.043 176.870 0.209 0.000 1.161 406 L CA 0.053 54.993 54.840 0.168 0.000 0.845 406 L CB 0.507 42.663 42.059 0.162 0.000 1.119 406 L HN 0.504 nan 8.230 nan 0.000 0.464 407 E N 2.583 122.830 120.200 0.078 0.000 2.608 407 E HA -0.124 4.235 4.350 0.016 0.000 0.259 407 E C 0.773 177.317 176.600 -0.094 0.000 0.951 407 E CA 0.871 57.267 56.400 -0.006 0.000 0.945 407 E CB 0.573 30.254 29.700 -0.031 0.000 0.916 407 E HN 0.721 nan 8.360 nan 0.000 0.477 408 Q N 2.007 121.628 119.800 -0.299 0.000 2.135 408 Q HA -0.189 4.160 4.340 0.016 0.000 0.204 408 Q C 1.850 177.807 176.000 -0.071 0.000 0.981 408 Q CA 1.678 57.203 55.803 -0.463 0.000 0.856 408 Q CB -0.071 28.153 28.738 -0.857 0.000 0.902 408 Q HN 0.751 nan 8.270 nan 0.000 0.425 409 S N -0.096 115.555 115.700 -0.082 0.000 2.399 409 S HA -0.100 4.380 4.470 0.016 0.000 0.231 409 S C 2.049 176.610 174.600 -0.065 0.000 1.022 409 S CA 1.241 59.403 58.200 -0.064 0.000 0.983 409 S CB -0.203 62.902 63.200 -0.158 0.000 0.803 409 S HN 0.125 nan 8.310 nan 0.000 0.480 410 S N 1.825 117.485 115.700 -0.067 0.000 2.402 410 S HA 0.157 4.637 4.470 0.016 0.000 0.229 410 S C 1.701 176.336 174.600 0.057 0.000 1.021 410 S CA 1.126 59.309 58.200 -0.029 0.000 0.974 410 S CB -0.445 62.745 63.200 -0.017 0.000 0.800 410 S HN 0.537 nan 8.310 nan 0.000 0.484 411 I N 0.684 121.320 120.570 0.111 0.000 2.406 411 I HA -0.055 4.125 4.170 0.016 0.000 0.249 411 I C 1.844 178.057 176.117 0.161 0.000 1.122 411 I CA 0.914 62.320 61.300 0.177 0.000 1.431 411 I CB -0.178 38.010 38.000 0.312 0.000 1.087 411 I HN 0.198 nan 8.210 nan 0.000 0.424 412 L N 0.239 121.576 121.223 0.190 0.000 2.313 412 L HA -0.067 4.283 4.340 0.016 0.000 0.214 412 L C 2.654 179.665 176.870 0.235 0.000 1.119 412 L CA 0.702 55.661 54.840 0.199 0.000 0.809 412 L CB -0.371 41.852 42.059 0.274 0.000 0.933 412 L HN 0.151 nan 8.230 nan 0.000 0.449 413 R N 0.625 121.249 120.500 0.207 0.000 2.091 413 R HA -0.245 4.105 4.340 0.016 0.000 0.238 413 R C 2.284 178.782 176.300 0.331 0.000 1.136 413 R CA 1.953 58.222 56.100 0.282 0.000 0.959 413 R CB -0.153 30.234 30.300 0.146 0.000 0.856 413 R HN 0.542 nan 8.270 nan 0.000 0.437 414 Q N -0.719 119.202 119.800 0.203 0.000 2.437 414 Q HA -0.107 4.243 4.340 0.016 0.000 0.210 414 Q C 1.234 177.273 176.000 0.065 0.000 0.972 414 Q CA 0.739 56.648 55.803 0.177 0.000 0.903 414 Q CB 0.078 28.893 28.738 0.128 0.000 0.967 414 Q HN 0.281 nan 8.270 nan 0.000 0.486 415 M N -0.415 119.132 119.600 -0.088 0.000 2.562 415 M HA 0.025 4.514 4.480 0.016 0.000 0.257 415 M C 0.318 176.256 176.300 -0.603 0.000 1.099 415 M CA 0.939 55.991 55.300 -0.413 0.000 1.099 415 M CB -0.401 31.797 32.600 -0.671 0.000 1.427 415 M HN 0.287 nan 8.290 nan 0.000 0.489 416 Y N -3.217 117.073 120.300 -0.016 0.000 2.426 416 Y HA 0.196 4.756 4.550 0.016 0.000 0.249 416 Y C 0.013 175.670 175.900 -0.405 0.000 1.103 416 Y CA -0.843 57.122 58.100 -0.225 0.000 1.256 416 Y CB 0.303 38.591 38.460 -0.287 0.000 1.208 416 Y HN 0.041 nan 8.280 nan 0.000 0.519 417 W N -0.479 120.961 121.300 0.233 0.000 2.844 417 W HA 0.606 5.277 4.660 0.017 0.000 0.340 417 W C -0.273 176.398 176.519 0.254 0.000 1.093 417 W CA -0.884 56.621 57.345 0.266 0.000 1.212 417 W CB 1.953 31.571 29.460 0.263 0.000 1.422 417 W HN -0.450 nan 8.180 nan 0.000 0.515 418 T N 1.889 116.797 114.554 0.590 0.000 2.903 418 T HA 0.565 4.924 4.350 0.016 0.000 0.299 418 T C -0.736 174.219 174.700 0.425 0.000 1.093 418 T CA -0.794 61.544 62.100 0.396 0.000 1.002 418 T CB 1.046 70.040 68.868 0.210 0.000 1.127 418 T HN 0.404 nan 8.240 nan 0.000 0.488 419 R N 1.307 121.952 120.500 0.241 0.000 2.486 419 R HA 0.721 5.070 4.340 0.016 0.000 0.286 419 R C 0.261 176.567 176.300 0.010 0.000 0.999 419 R CA -0.672 55.495 56.100 0.111 0.000 0.993 419 R CB 1.581 31.878 30.300 -0.006 0.000 1.084 419 R HN 0.818 nan 8.270 nan 0.000 0.487 420 G N 1.788 110.598 108.800 0.017 0.000 2.561 420 G HA2 0.361 4.330 3.960 0.016 0.000 0.310 420 G HA3 0.361 4.330 3.960 0.016 0.000 0.310 420 G C -2.901 172.072 174.900 0.121 0.000 1.292 420 G CA -0.829 44.181 45.100 -0.149 0.000 0.811 420 G HN 0.331 nan 8.290 nan 0.000 0.482 421 P HA 0.122 nan 4.420 nan 0.000 0.269 421 P C -0.479 177.069 177.300 0.412 0.000 1.217 421 P CA -0.373 62.858 63.100 0.219 0.000 0.783 421 P CB 0.416 32.213 31.700 0.162 0.000 0.898 422 N N 1.149 119.997 118.700 0.248 0.000 2.412 422 N HA 0.013 4.762 4.740 0.016 0.000 0.254 422 N C 0.301 175.961 175.510 0.249 0.000 1.232 422 N CA 0.535 53.712 53.050 0.211 0.000 0.880 422 N CB -0.350 38.204 38.487 0.112 0.000 1.076 422 N HN 0.643 nan 8.380 nan 0.000 0.458 423 H N -2.242 116.764 119.070 -0.107 0.000 2.990 423 H HA 0.405 4.971 4.556 0.016 0.000 0.343 423 H C -0.255 174.942 175.328 -0.218 0.000 1.270 423 H CA -0.823 55.090 56.048 -0.226 0.000 1.118 423 H CB 1.272 30.687 29.762 -0.579 0.000 1.861 423 H HN 0.339 nan 8.280 nan 0.000 0.544 424 E N -0.417 119.611 120.200 -0.286 0.000 2.340 424 E HA -0.025 4.334 4.350 0.016 0.000 0.194 424 E C -0.357 176.016 176.600 -0.378 0.000 0.996 424 E CA 0.377 56.612 56.400 -0.276 0.000 0.869 424 E CB 0.547 30.157 29.700 -0.149 0.000 0.835 424 E HN 0.377 nan 8.360 nan 0.000 0.493 425 D N 0.051 120.127 120.400 -0.540 0.000 2.453 425 D HA 0.130 4.780 4.640 0.016 0.000 0.238 425 D C -2.079 173.898 176.300 -0.537 0.000 1.088 425 D CA -2.592 51.175 54.000 -0.387 0.000 0.854 425 D CB 1.605 42.295 40.800 -0.184 0.000 1.076 425 D HN -0.254 nan 8.370 nan 0.000 0.533 426 P HA -0.162 nan 4.420 nan 0.000 0.217 426 P C 1.339 178.794 177.300 0.259 0.000 1.148 426 P CA 1.145 64.267 63.100 0.037 0.000 0.828 426 P CB 0.209 32.036 31.700 0.212 0.000 0.783 427 S N -1.256 114.524 115.700 0.135 0.000 2.447 427 S HA -0.133 4.346 4.470 0.016 0.000 0.233 427 S C 0.975 175.658 174.600 0.139 0.000 1.006 427 S CA 0.156 58.429 58.200 0.121 0.000 0.957 427 S CB -1.056 62.190 63.200 0.077 0.000 0.773 427 S HN 0.204 nan 8.310 nan 0.000 0.507 428 E N 2.589 122.879 120.200 0.150 0.000 2.465 428 E HA 0.098 4.458 4.350 0.016 0.000 0.260 428 E C -0.017 176.831 176.600 0.414 0.000 0.980 428 E CA 0.162 56.701 56.400 0.231 0.000 0.927 428 E CB 0.470 30.284 29.700 0.191 0.000 0.934 428 E HN 0.551 nan 8.360 nan 0.000 0.459 429 T N 2.134 116.914 114.554 0.376 0.000 2.928 429 T HA 0.557 4.917 4.350 0.016 0.000 0.284 429 T C -0.030 174.886 174.700 0.360 0.000 1.008 429 T CA -0.905 61.401 62.100 0.343 0.000 1.057 429 T CB 1.277 70.242 68.868 0.162 0.000 1.018 429 T HN 0.531 nan 8.240 nan 0.000 0.493 430 M N 2.373 122.095 119.600 0.203 0.000 2.386 430 M HA 0.511 5.001 4.480 0.016 0.000 0.293 430 M C -1.526 174.729 176.300 -0.075 0.000 1.120 430 M CA -1.052 54.202 55.300 -0.077 0.000 0.909 430 M CB 1.847 34.221 32.600 -0.377 0.000 1.661 430 M HN 0.675 nan 8.290 nan 0.000 0.452 431 I N 5.697 126.181 120.570 -0.144 0.000 2.452 431 I HA 0.237 4.416 4.170 0.016 0.000 0.287 431 I C -1.973 174.022 176.117 -0.204 0.000 1.079 431 I CA -1.613 59.602 61.300 -0.142 0.000 1.387 431 I CB 0.254 38.165 38.000 -0.149 0.000 1.404 431 I HN 0.466 nan 8.210 nan 0.000 0.522 432 P HA 0.115 nan 4.420 nan 0.000 0.271 432 P C -0.883 176.329 177.300 -0.146 0.000 1.218 432 P CA -0.158 62.889 63.100 -0.088 0.000 0.780 432 P CB 0.305 31.994 31.700 -0.018 0.000 0.901 433 H N -0.622 118.420 119.070 -0.047 0.000 2.764 433 H HA 0.215 4.780 4.556 0.016 0.000 0.341 433 H C 0.712 176.012 175.328 -0.046 0.000 1.072 433 H CA 0.300 56.319 56.048 -0.049 0.000 1.444 433 H CB 0.126 29.859 29.762 -0.048 0.000 1.458 433 H HN 0.333 nan 8.280 nan 0.000 0.572 434 S N 3.133 118.862 115.700 0.047 0.000 2.572 434 S HA 0.114 4.594 4.470 0.016 0.000 0.279 434 S C -0.107 174.485 174.600 -0.013 0.000 1.341 434 S CA -0.780 57.419 58.200 -0.002 0.000 1.043 434 S CB 0.798 63.988 63.200 -0.017 0.000 0.887 434 S HN 0.675 nan 8.310 nan 0.000 0.516 435 Q N 1.169 120.930 119.800 -0.065 0.000 2.353 435 Q HA 0.406 4.755 4.340 0.016 0.000 0.268 435 Q C -0.492 175.402 176.000 -0.177 0.000 1.045 435 Q CA -0.904 54.841 55.803 -0.097 0.000 0.811 435 Q CB 1.786 30.469 28.738 -0.092 0.000 1.305 435 Q HN 0.603 nan 8.270 nan 0.000 0.447 436 R N 1.951 122.359 120.500 -0.153 0.000 2.594 436 R HA 0.071 4.420 4.340 0.016 0.000 0.272 436 R C -1.807 174.328 176.300 -0.276 0.000 1.074 436 R CA -1.432 54.553 56.100 -0.192 0.000 1.105 436 R CB -0.011 30.223 30.300 -0.111 0.000 1.008 436 R HN 0.422 nan 8.270 nan 0.000 0.472 437 P HA -0.193 nan 4.420 nan 0.000 0.217 437 P C 1.272 178.453 177.300 -0.198 0.000 1.148 437 P CA 1.436 64.292 63.100 -0.407 0.000 0.834 437 P CB -0.153 31.380 31.700 -0.278 0.000 0.783 438 I N -2.270 118.222 120.570 -0.130 0.000 2.335 438 I HA -0.266 3.914 4.170 0.016 0.000 0.251 438 I C 1.926 178.010 176.117 -0.056 0.000 1.129 438 I CA 1.670 62.925 61.300 -0.077 0.000 1.402 438 I CB -1.295 36.684 38.000 -0.036 0.000 1.069 438 I HN -0.039 nan 8.210 nan 0.000 0.424 439 Q N 0.861 120.616 119.800 -0.074 0.000 2.378 439 Q HA 0.139 4.489 4.340 0.016 0.000 0.205 439 Q C 1.998 177.973 176.000 -0.042 0.000 0.954 439 Q CA 0.772 56.548 55.803 -0.044 0.000 0.901 439 Q CB 0.149 28.856 28.738 -0.052 0.000 0.981 439 Q HN 0.578 nan 8.270 nan 0.000 0.483 440 L N -0.488 120.683 121.223 -0.087 0.000 2.585 440 L HA 0.078 4.428 4.340 0.016 0.000 0.226 440 L C 1.860 178.709 176.870 -0.034 0.000 1.113 440 L CA -0.212 54.589 54.840 -0.065 0.000 0.876 440 L CB 0.026 42.012 42.059 -0.122 0.000 1.072 440 L HN 0.263 nan 8.230 nan 0.000 0.468 441 M N -0.473 119.081 119.600 -0.077 0.000 2.108 441 M HA -0.187 4.303 4.480 0.016 0.000 0.261 441 M C 2.401 178.722 176.300 0.035 0.000 1.066 441 M CA 1.574 56.765 55.300 -0.181 0.000 1.107 441 M CB -0.989 31.359 32.600 -0.420 0.000 1.356 441 M HN 0.170 nan 8.290 nan 0.000 0.406 442 S N 1.064 116.869 115.700 0.175 0.000 2.368 442 S HA -0.127 4.353 4.470 0.016 0.000 0.225 442 S C 1.872 176.595 174.600 0.205 0.000 1.030 442 S CA 1.133 59.493 58.200 0.266 0.000 0.999 442 S CB -0.441 62.876 63.200 0.195 0.000 0.844 442 S HN 0.373 nan 8.310 nan 0.000 0.459 443 L N 1.806 123.111 121.223 0.136 0.000 2.017 443 L HA 0.002 4.351 4.340 0.016 0.000 0.208 443 L C 1.984 178.947 176.870 0.156 0.000 1.073 443 L CA 1.630 56.546 54.840 0.126 0.000 0.745 443 L CB -0.596 41.505 42.059 0.069 0.000 0.894 443 L HN 0.265 nan 8.230 nan 0.000 0.432 444 L N -0.631 120.675 121.223 0.138 0.000 2.083 444 L HA -0.126 4.224 4.340 0.016 0.000 0.209 444 L C 2.530 179.621 176.870 0.369 0.000 1.083 444 L CA 1.227 56.194 54.840 0.211 0.000 0.752 444 L CB -1.367 40.795 42.059 0.172 0.000 0.899 444 L HN 0.479 nan 8.230 nan 0.000 0.433 445 G N -0.594 108.395 108.800 0.316 0.000 2.421 445 G HA2 -0.219 3.751 3.960 0.016 0.000 0.216 445 G HA3 -0.219 3.751 3.960 0.016 0.000 0.216 445 G C 1.459 176.522 174.900 0.273 0.000 1.171 445 G CA 0.378 45.691 45.100 0.354 0.000 0.775 445 G HN 0.278 nan 8.290 nan 0.000 0.543 446 E N 0.962 121.324 120.200 0.269 0.000 2.077 446 E HA -0.108 4.252 4.350 0.016 0.000 0.193 446 E C 2.939 179.798 176.600 0.432 0.000 0.989 446 E CA 1.082 57.648 56.400 0.277 0.000 0.800 446 E CB -0.531 29.320 29.700 0.252 0.000 0.746 446 E HN 0.378 nan 8.360 nan 0.000 0.452 447 A N 1.495 124.602 122.820 0.477 0.000 1.933 447 A HA -0.058 4.272 4.320 0.016 0.000 0.218 447 A C 2.401 180.413 177.584 0.713 0.000 1.175 447 A CA 1.830 54.259 52.037 0.652 0.000 0.628 447 A CB -0.454 18.743 19.000 0.330 0.000 0.814 447 A HN 0.260 nan 8.150 nan 0.000 0.444 448 A N -0.263 122.894 122.820 0.562 0.000 2.015 448 A HA 0.052 4.381 4.320 0.016 0.000 0.219 448 A C 1.978 179.794 177.584 0.387 0.000 1.163 448 A CA 1.190 53.437 52.037 0.351 0.000 0.646 448 A CB -0.535 18.528 19.000 0.105 0.000 0.806 448 A HN 0.484 nan 8.150 nan 0.000 0.448 449 L N -1.072 120.323 121.223 0.287 0.000 2.362 449 L HA -0.113 4.236 4.340 0.016 0.000 0.219 449 L C 1.841 178.820 176.870 0.183 0.000 1.134 449 L CA 0.681 55.633 54.840 0.187 0.000 0.807 449 L CB -0.575 41.491 42.059 0.012 0.000 0.927 449 L HN 0.490 nan 8.230 nan 0.000 0.447 450 H N -0.199 119.066 119.070 0.326 0.000 2.539 450 H HA 0.262 4.827 4.556 0.016 0.000 0.269 450 H C 1.133 176.605 175.328 0.241 0.000 0.980 450 H CA 0.768 56.952 56.048 0.228 0.000 1.152 450 H CB 0.673 30.486 29.762 0.085 0.000 1.407 450 H HN 0.357 nan 8.280 nan 0.000 0.564 451 G N 1.229 110.237 108.800 0.347 0.000 2.603 451 G HA2 -0.186 3.783 3.960 0.016 0.000 0.686 451 G HA3 -0.186 3.783 3.960 0.016 0.000 0.686 451 G C -1.917 173.130 174.900 0.245 0.000 1.286 451 G CA -0.360 44.870 45.100 0.217 0.000 0.871 451 G HN -0.048 nan 8.290 nan 0.000 0.568 452 P HA -0.070 nan 4.420 nan 0.000 0.216 452 P C 2.024 179.444 177.300 0.200 0.000 1.150 452 P CA 2.748 65.942 63.100 0.157 0.000 0.837 452 P CB -0.129 31.616 31.700 0.074 0.000 0.786 453 A N -0.230 122.699 122.820 0.182 0.000 1.858 453 A HA -0.181 4.149 4.320 0.016 0.000 0.216 453 A C 2.167 179.871 177.584 0.201 0.000 1.190 453 A CA 1.470 53.605 52.037 0.163 0.000 0.617 453 A CB -1.828 17.259 19.000 0.146 0.000 0.827 453 A HN 0.150 nan 8.150 nan 0.000 0.443 454 F N -1.203 118.822 119.950 0.125 0.000 2.234 454 F HA -0.108 4.428 4.527 0.016 0.000 0.299 454 F C 2.047 177.926 175.800 0.131 0.000 1.087 454 F CA 1.431 59.494 58.000 0.106 0.000 1.340 454 F CB -0.396 38.667 39.000 0.105 0.000 1.031 454 F HN 0.382 nan 8.300 nan 0.000 0.500 455 Y N -0.111 120.238 120.300 0.081 0.000 2.224 455 Y HA -0.191 4.369 4.550 0.016 0.000 0.289 455 Y C 2.790 178.630 175.900 -0.100 0.000 1.146 455 Y CA 1.777 59.871 58.100 -0.009 0.000 1.182 455 Y CB -0.848 37.666 38.460 0.090 0.000 0.983 455 Y HN 0.139 nan 8.280 nan 0.000 0.524 456 S N -0.131 115.557 115.700 -0.019 0.000 2.368 456 S HA -0.233 4.246 4.470 0.016 0.000 0.225 456 S C 2.218 176.699 174.600 -0.198 0.000 1.030 456 S CA 1.643 59.782 58.200 -0.101 0.000 0.999 456 S CB -0.484 62.716 63.200 0.000 0.000 0.844 456 S HN 0.565 nan 8.310 nan 0.000 0.459 457 K N 0.343 120.618 120.400 -0.208 0.000 2.044 457 K HA -0.109 4.220 4.320 0.016 0.000 0.210 457 K C 1.967 178.369 176.600 -0.331 0.000 1.049 457 K CA 1.805 57.947 56.287 -0.242 0.000 0.927 457 K CB -0.269 32.080 32.500 -0.253 0.000 0.713 457 K HN 0.357 nan 8.250 nan 0.000 0.443 458 I N 1.156 121.423 120.570 -0.504 0.000 2.252 458 I HA -0.184 3.995 4.170 0.016 0.000 0.245 458 I C 2.269 178.167 176.117 -0.365 0.000 1.102 458 I CA 1.119 62.147 61.300 -0.455 0.000 1.385 458 I CB -1.199 36.486 38.000 -0.524 0.000 1.064 458 I HN 0.158 nan 8.210 nan 0.000 0.414 459 S N 1.017 116.441 115.700 -0.460 0.000 2.359 459 S HA -0.212 4.268 4.470 0.016 0.000 0.224 459 S C 1.957 176.408 174.600 -0.249 0.000 1.035 459 S CA 1.437 59.397 58.200 -0.400 0.000 1.018 459 S CB -0.216 62.699 63.200 -0.475 0.000 0.876 459 S HN 0.431 nan 8.310 nan 0.000 0.448 460 K N 0.708 120.978 120.400 -0.216 0.000 2.097 460 K HA 0.003 4.333 4.320 0.016 0.000 0.206 460 K C 2.030 178.551 176.600 -0.132 0.000 1.049 460 K CA 0.970 57.166 56.287 -0.152 0.000 0.933 460 K CB -0.329 32.098 32.500 -0.122 0.000 0.717 460 K HN 0.297 nan 8.250 nan 0.000 0.442 461 L N 0.352 121.483 121.223 -0.153 0.000 2.056 461 L HA -0.160 4.190 4.340 0.016 0.000 0.207 461 L C 2.313 179.111 176.870 -0.121 0.000 1.078 461 L CA 0.702 55.453 54.840 -0.148 0.000 0.749 461 L CB -0.373 41.570 42.059 -0.192 0.000 0.901 461 L HN -0.026 nan 8.230 nan 0.000 0.433 462 V N 0.295 120.144 119.914 -0.108 0.000 2.295 462 V HA -0.302 3.827 4.120 0.016 0.000 0.246 462 V C 2.313 178.432 176.094 0.041 0.000 1.049 462 V CA 1.948 64.230 62.300 -0.031 0.000 1.024 462 V CB -0.294 31.530 31.823 0.000 0.000 0.648 462 V HN 0.301 nan 8.190 nan 0.000 0.447 463 I N 0.368 120.935 120.570 -0.004 0.000 2.179 463 I HA -0.237 3.943 4.170 0.016 0.000 0.242 463 I C 2.682 178.795 176.117 -0.006 0.000 1.088 463 I CA 1.452 62.748 61.300 -0.006 0.000 1.357 463 I CB -0.664 37.260 38.000 -0.126 0.000 1.051 463 I HN 0.276 nan 8.210 nan 0.000 0.409 464 A N 0.223 123.018 122.820 -0.042 0.000 1.917 464 A HA -0.201 4.129 4.320 0.016 0.000 0.219 464 A C 1.299 178.865 177.584 -0.030 0.000 1.182 464 A CA 1.377 53.388 52.037 -0.042 0.000 0.633 464 A CB -0.665 18.298 19.000 -0.061 0.000 0.819 464 A HN 0.465 nan 8.150 nan 0.000 0.448 465 E N 0.231 120.412 120.200 -0.031 0.000 1.893 465 E HA 0.396 4.756 4.350 0.016 0.000 0.269 465 E C -0.315 176.288 176.600 0.004 0.000 1.129 465 E CA -0.440 55.944 56.400 -0.028 0.000 0.904 465 E CB 0.470 30.140 29.700 -0.049 0.000 1.077 465 E HN 0.530 nan 8.360 nan 0.000 0.407 473 F N 0.681 120.643 119.950 0.019 0.000 2.626 473 F HA 0.720 5.257 4.527 0.016 0.000 0.311 473 F C -1.814 174.031 175.800 0.075 0.000 1.088 473 F CA -1.307 56.718 58.000 0.041 0.000 0.949 473 F CB 1.112 40.120 39.000 0.013 0.000 1.322 473 F HN 0.210 nan 8.300 nan 0.000 0.461 474 Y N 3.035 123.264 120.300 -0.119 0.000 2.327 474 Y HA 0.639 5.199 4.550 0.016 0.000 0.336 474 Y C -1.136 174.627 175.900 -0.230 0.000 1.035 474 Y CA -0.972 57.003 58.100 -0.209 0.000 1.165 474 Y CB 1.288 39.718 38.460 -0.050 0.000 1.181 474 Y HN 0.605 nan 8.280 nan 0.000 0.494 475 V N 9.285 128.646 119.914 -0.921 0.000 2.383 475 V HA 0.329 4.458 4.120 0.016 0.000 0.275 475 V C -1.995 173.608 176.094 -0.819 0.000 1.036 475 V CA -1.927 59.986 62.300 -0.645 0.000 0.889 475 V CB 0.853 32.383 31.823 -0.488 0.000 0.985 475 V HN 0.760 nan 8.190 nan 0.000 0.459 476 P HA 0.222 nan 4.420 nan 0.000 0.270 476 P C 0.031 177.309 177.300 -0.037 0.000 1.223 476 P CA -0.309 62.679 63.100 -0.186 0.000 0.785 476 P CB 0.552 32.243 31.700 -0.015 0.000 0.923 477 R N 1.315 121.807 120.500 -0.013 0.000 2.738 477 R HA 0.017 4.366 4.340 0.016 0.000 0.268 477 R C 1.609 177.783 176.300 -0.210 0.000 1.062 477 R CA -0.355 55.739 56.100 -0.010 0.000 1.158 477 R CB 0.126 30.432 30.300 0.009 0.000 1.046 477 R HN 0.547 nan 8.270 nan 0.000 0.493 478 Q N 1.662 121.222 119.800 -0.400 0.000 2.096 478 Q HA -0.232 4.118 4.340 0.016 0.000 0.204 478 Q C 0.975 176.794 176.000 -0.302 0.000 0.982 478 Q CA 2.071 57.414 55.803 -0.767 0.000 0.850 478 Q CB 0.210 28.673 28.738 -0.458 0.000 0.901 478 Q HN 0.533 nan 8.270 nan 0.000 0.422 479 E N 0.136 120.251 120.200 -0.142 0.000 2.031 479 E HA -0.121 4.238 4.350 0.016 0.000 0.193 479 E C -0.751 175.886 176.600 0.062 0.000 0.994 479 E CA 1.685 58.057 56.400 -0.047 0.000 0.800 479 E CB -1.205 28.467 29.700 -0.046 0.000 0.752 479 E HN 0.435 nan 8.360 nan 0.000 0.447 480 P HA -0.122 nan 4.420 nan 0.000 0.218 480 P C 1.259 178.648 177.300 0.148 0.000 1.149 480 P CA 1.090 64.256 63.100 0.111 0.000 0.817 480 P CB 0.082 31.833 31.700 0.086 0.000 0.785 481 M N -1.857 117.778 119.600 0.059 0.000 2.156 481 M HA -0.042 4.448 4.480 0.016 0.000 0.264 481 M C 1.851 178.265 176.300 0.190 0.000 1.067 481 M CA 1.560 56.916 55.300 0.094 0.000 1.131 481 M CB -1.262 31.298 32.600 -0.066 0.000 1.368 481 M HN -0.191 nan 8.290 nan 0.000 0.416 482 F N 0.470 120.395 119.950 -0.041 0.000 2.095 482 F HA -0.237 4.300 4.527 0.016 0.000 0.298 482 F C 2.181 177.940 175.800 -0.068 0.000 1.104 482 F CA 1.886 59.846 58.000 -0.067 0.000 1.232 482 F CB -0.256 38.685 39.000 -0.099 0.000 0.987 482 F HN 0.055 nan 8.300 nan 0.000 0.475 483 R N -1.284 119.406 120.500 0.317 0.000 2.092 483 R HA -0.201 4.149 4.340 0.016 0.000 0.231 483 R C 2.100 178.517 176.300 0.196 0.000 1.119 483 R CA 1.600 57.901 56.100 0.335 0.000 0.970 483 R CB -1.022 29.528 30.300 0.417 0.000 0.864 483 R HN 0.543 nan 8.270 nan 0.000 0.440 484 W N 1.342 122.657 121.300 0.025 0.000 2.358 484 W HA -0.219 4.450 4.660 0.016 0.000 0.303 484 W C 2.104 178.562 176.519 -0.101 0.000 1.208 484 W CA 1.305 58.650 57.345 -0.000 0.000 1.274 484 W CB -0.205 29.268 29.460 0.022 0.000 1.138 484 W HN -0.058 nan 8.180 nan 0.000 0.515 485 M N 0.917 120.474 119.600 -0.071 0.000 2.117 485 M HA -0.137 4.353 4.480 0.016 0.000 0.262 485 M C 1.952 177.897 176.300 -0.592 0.000 1.065 485 M CA 1.965 57.053 55.300 -0.354 0.000 1.114 485 M CB -0.487 32.007 32.600 -0.177 0.000 1.361 485 M HN -0.028 nan 8.290 nan 0.000 0.408 486 R N -2.150 117.874 120.500 -0.794 0.000 2.237 486 R HA 0.111 4.461 4.340 0.016 0.000 0.195 486 R C 0.087 175.777 176.300 -1.017 0.000 0.956 486 R CA 0.391 55.844 56.100 -1.078 0.000 1.029 486 R CB 0.374 29.690 30.300 -1.640 0.000 0.972 486 R HN 0.325 nan 8.270 nan 0.000 0.493 487 F N 0.044 119.857 119.950 -0.228 0.000 2.814 487 F HA 0.371 4.908 4.527 0.016 0.000 0.326 487 F C 0.206 175.899 175.800 -0.178 0.000 1.159 487 F CA -0.623 57.284 58.000 -0.155 0.000 1.234 487 F CB 0.144 39.094 39.000 -0.083 0.000 1.016 487 F HN -0.247 nan 8.300 nan 0.000 0.510 488 S N 0.000 115.559 115.700 -0.234 0.000 2.498 488 S HA 0.000 4.480 4.470 0.016 0.000 0.327 488 S CA 0.000 58.002 58.200 -0.329 0.000 1.107 488 S CB 0.000 63.099 63.200 -0.168 0.000 0.593 488 S HN 0.000 nan 8.310 nan 0.000 0.517