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 3h5y_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 YGLKPTRPXX XXXPLVISED 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 0.000 176.583 176.600 -0.029 0.000 0.988 5 K CA 0.000 56.275 56.287 -0.021 0.000 0.838 5 K CB 0.000 32.487 32.500 -0.021 0.000 1.064 6 G N 1.664 110.437 108.800 -0.045 0.000 2.176 6 G HA2 -0.250 3.719 3.960 0.015 0.000 0.252 6 G HA3 -0.250 3.719 3.960 0.015 0.000 0.252 6 G C -0.144 174.710 174.900 -0.076 0.000 1.024 6 G CA 0.907 45.970 45.100 -0.062 0.000 0.755 6 G HN 0.204 nan 8.290 nan 0.000 0.507 7 T N -0.619 113.888 114.554 -0.077 0.000 2.893 7 T HA 0.562 4.921 4.350 0.015 0.000 0.293 7 T C -1.456 173.222 174.700 -0.035 0.000 1.027 7 T CA -0.424 61.645 62.100 -0.051 0.000 0.988 7 T CB 2.112 70.958 68.868 -0.035 0.000 1.043 7 T HN 0.424 nan 8.240 nan 0.000 0.461 8 Y N 1.295 121.490 120.300 -0.176 0.000 2.329 8 Y HA 0.355 4.915 4.550 0.016 0.000 0.328 8 Y C 0.429 176.279 175.900 -0.083 0.000 0.992 8 Y CA -0.972 57.023 58.100 -0.175 0.000 1.151 8 Y CB 0.567 38.867 38.460 -0.267 0.000 1.150 8 Y HN 0.939 nan 8.280 nan 0.000 0.450 9 C N 4.253 123.327 119.300 -0.377 0.000 4.274 9 C HA -0.147 4.322 4.460 0.015 0.000 0.297 9 C C 1.589 176.530 174.990 -0.081 0.000 1.446 9 C CA 1.419 60.293 59.018 -0.240 0.000 2.016 9 C CB -2.173 25.430 27.740 -0.229 0.000 1.273 9 C HN 1.748 nan 8.230 nan 0.000 0.782 10 G N -1.686 107.077 108.800 -0.061 0.000 2.159 10 G HA2 0.195 4.164 3.960 0.015 0.000 0.256 10 G HA3 0.195 4.164 3.960 0.015 0.000 0.256 10 G C -0.067 174.839 174.900 0.010 0.000 0.977 10 G CA 0.576 45.664 45.100 -0.020 0.000 0.652 10 G HN 2.294 nan 8.290 nan 0.000 0.531 11 A N 0.007 122.843 122.820 0.026 0.000 2.340 11 A HA 0.881 5.211 4.320 0.015 0.000 0.331 11 A C -2.621 174.982 177.584 0.032 0.000 1.140 11 A CA -1.703 50.363 52.037 0.048 0.000 0.801 11 A CB 1.495 20.545 19.000 0.083 0.000 1.234 11 A HN 0.056 nan 8.150 nan 0.000 0.469 12 P HA 0.228 nan 4.420 nan 0.000 0.271 12 P C -0.713 176.587 177.300 -0.001 0.000 1.220 12 P CA 0.296 63.401 63.100 0.009 0.000 0.768 12 P CB 0.300 32.010 31.700 0.017 0.000 0.848 13 I N 4.219 124.767 120.570 -0.037 0.000 2.396 13 I HA 0.057 4.236 4.170 0.015 0.000 0.289 13 I C 1.490 177.602 176.117 -0.007 0.000 1.056 13 I CA 0.000 61.264 61.300 -0.060 0.000 1.365 13 I CB 0.519 38.418 38.000 -0.167 0.000 1.407 13 I HN 0.313 nan 8.210 nan 0.000 0.509 14 L N 5.959 127.193 121.223 0.018 0.000 2.416 14 L HA 0.371 4.721 4.340 0.015 0.000 0.216 14 L C 1.074 177.967 176.870 0.038 0.000 1.098 14 L CA 0.164 55.020 54.840 0.026 0.000 0.840 14 L CB -0.202 41.872 42.059 0.025 0.000 0.981 14 L HN 0.876 nan 8.230 nan 0.000 0.462 15 G N -0.695 108.145 108.800 0.066 0.000 2.344 15 G HA2 0.129 4.098 3.960 0.015 0.000 0.282 15 G HA3 0.129 4.098 3.960 0.015 0.000 0.282 15 G C -3.078 171.889 174.900 0.112 0.000 1.281 15 G CA -0.727 44.420 45.100 0.079 0.000 0.877 15 G HN -0.298 nan 8.290 nan 0.000 0.494 16 P HA 0.474 nan 4.420 nan 0.000 0.274 16 P C 0.318 177.605 177.300 -0.021 0.000 1.246 16 P CA 0.299 63.395 63.100 -0.007 0.000 0.795 16 P CB 1.263 32.945 31.700 -0.031 0.000 1.006 17 G N -0.619 108.127 108.800 -0.090 0.000 2.491 17 G HA2 0.473 4.442 3.960 0.015 0.000 0.327 17 G HA3 0.473 4.442 3.960 0.015 0.000 0.327 17 G C 0.080 174.952 174.900 -0.047 0.000 1.189 17 G CA -0.600 44.466 45.100 -0.058 0.000 0.956 17 G HN 0.524 nan 8.290 nan 0.000 0.491 18 S N -1.463 114.241 115.700 0.006 0.000 3.009 18 S HA 0.538 5.017 4.470 0.015 0.000 0.254 18 S C 0.705 175.275 174.600 -0.050 0.000 1.004 18 S CA 0.374 58.575 58.200 0.001 0.000 1.119 18 S CB 0.170 63.406 63.200 0.059 0.000 1.075 18 S HN 1.175 nan 8.310 nan 0.000 0.618 19 A N 2.824 125.588 122.820 -0.092 0.000 2.445 19 A HA 0.613 4.942 4.320 0.015 0.000 0.242 19 A C -2.309 175.113 177.584 -0.271 0.000 1.075 19 A CA -0.941 50.934 52.037 -0.269 0.000 0.777 19 A CB -0.708 18.207 19.000 -0.142 0.000 1.013 19 A HN 0.367 nan 8.150 nan 0.000 0.493 20 P HA 0.102 nan 4.420 nan 0.000 0.267 20 P C -0.302 176.914 177.300 -0.139 0.000 1.200 20 P CA 0.013 62.988 63.100 -0.208 0.000 0.772 20 P CB 0.394 31.978 31.700 -0.194 0.000 0.855 21 K N 1.602 121.941 120.400 -0.102 0.000 2.380 21 K HA 0.106 4.435 4.320 0.015 0.000 0.267 21 K C 0.235 176.793 176.600 -0.070 0.000 0.990 21 K CA -0.285 55.953 56.287 -0.082 0.000 0.946 21 K CB 0.056 32.515 32.500 -0.068 0.000 0.937 21 K HN 0.400 nan 8.250 nan 0.000 0.491 22 L N 1.699 122.885 121.223 -0.061 0.000 2.490 22 L HA -0.031 4.318 4.340 0.015 0.000 0.274 22 L C 0.949 177.788 176.870 -0.051 0.000 1.201 22 L CA 0.039 54.849 54.840 -0.051 0.000 0.869 22 L CB 0.674 42.708 42.059 -0.041 0.000 1.123 22 L HN 0.610 nan 8.230 nan 0.000 0.484 23 S N 0.850 116.523 115.700 -0.045 0.000 2.549 23 S HA 0.095 4.574 4.470 0.015 0.000 0.283 23 S C 0.931 175.490 174.600 -0.069 0.000 1.320 23 S CA -0.271 57.901 58.200 -0.046 0.000 1.058 23 S CB 0.582 63.764 63.200 -0.030 0.000 0.882 23 S HN 0.755 nan 8.310 nan 0.000 0.498 24 T N 1.800 116.306 114.554 -0.080 0.000 3.176 24 T HA 0.402 4.761 4.350 0.015 0.000 0.263 24 T C 0.127 174.756 174.700 -0.118 0.000 1.021 24 T CA -0.355 61.674 62.100 -0.118 0.000 0.905 24 T CB -0.158 68.640 68.868 -0.116 0.000 1.057 24 T HN 0.525 nan 8.240 nan 0.000 0.558 25 K N 0.356 120.706 120.400 -0.083 0.000 2.352 25 K HA 0.716 5.045 4.320 0.015 0.000 0.240 25 K C -0.865 175.705 176.600 -0.049 0.000 1.017 25 K CA -0.861 55.381 56.287 -0.074 0.000 0.851 25 K CB 2.158 34.641 32.500 -0.029 0.000 1.261 25 K HN 0.056 nan 8.250 nan 0.000 0.451 26 T N -0.179 114.356 114.554 -0.032 0.000 2.903 26 T HA 0.217 4.576 4.350 0.015 0.000 0.299 26 T C -0.095 174.658 174.700 0.089 0.000 1.093 26 T CA -0.778 61.337 62.100 0.024 0.000 1.002 26 T CB 1.031 69.925 68.868 0.043 0.000 1.127 26 T HN 0.688 nan 8.240 nan 0.000 0.488 27 K N 2.046 122.419 120.400 -0.045 0.000 2.444 27 K HA 0.195 4.524 4.320 0.015 0.000 0.193 27 K C -0.446 176.152 176.600 -0.004 0.000 1.024 27 K CA 0.009 56.262 56.287 -0.056 0.000 1.077 27 K CB -0.018 32.327 32.500 -0.258 0.000 0.833 27 K HN 0.314 nan 8.250 nan 0.000 0.517 28 F N 1.370 121.479 119.950 0.266 0.000 2.404 28 F HA 0.335 4.872 4.527 0.015 0.000 0.345 28 F C -0.417 175.724 175.800 0.569 0.000 1.110 28 F CA -0.807 57.400 58.000 0.345 0.000 1.130 28 F CB 0.547 39.530 39.000 -0.028 0.000 1.129 28 F HN -0.050 nan 8.300 nan 0.000 0.500 29 W N 3.126 124.812 121.300 0.643 0.000 2.702 29 W HA 0.559 5.228 4.660 0.014 0.000 0.331 29 W C -0.210 176.643 176.519 0.556 0.000 1.049 29 W CA -1.147 56.529 57.345 0.551 0.000 1.230 29 W CB 0.788 30.349 29.460 0.168 0.000 1.408 29 W HN 0.149 nan 8.180 nan 0.000 0.492 30 R N 1.122 121.937 120.500 0.525 0.000 2.585 30 R HA 0.014 4.363 4.340 0.015 0.000 0.275 30 R C 1.339 177.713 176.300 0.123 0.000 1.018 30 R CA 0.422 56.514 56.100 -0.012 0.000 1.072 30 R CB 0.561 30.770 30.300 -0.151 0.000 0.953 30 R HN 0.703 nan 8.270 nan 0.000 0.419 31 S N -0.374 115.335 115.700 0.015 0.000 2.527 31 S HA -0.011 4.468 4.470 0.015 0.000 0.222 31 S C 0.797 175.403 174.600 0.009 0.000 0.985 31 S CA 0.414 58.637 58.200 0.039 0.000 0.921 31 S CB 0.014 63.214 63.200 -0.000 0.000 0.772 31 S HN 0.703 nan 8.310 nan 0.000 0.529 32 S N 0.173 115.868 115.700 -0.007 0.000 2.694 32 S HA 0.423 4.902 4.470 0.015 0.000 0.273 32 S C 0.136 174.737 174.600 0.001 0.000 1.180 32 S CA -0.029 58.172 58.200 0.003 0.000 0.864 32 S CB 0.576 63.768 63.200 -0.014 0.000 1.198 32 S HN 0.423 nan 8.310 nan 0.000 0.499 33 T N -1.379 113.180 114.554 0.009 0.000 3.145 33 T HA 0.617 4.976 4.350 0.015 0.000 0.255 33 T C 0.769 175.471 174.700 0.004 0.000 1.039 33 T CA 0.271 62.375 62.100 0.008 0.000 0.928 33 T CB -0.522 68.358 68.868 0.019 0.000 1.029 33 T HN 1.268 nan 8.240 nan 0.000 0.554 34 A N 2.853 125.679 122.820 0.009 0.000 2.520 34 A HA 0.503 4.832 4.320 0.015 0.000 0.235 34 A C -2.119 175.474 177.584 0.016 0.000 1.065 34 A CA -1.055 50.996 52.037 0.023 0.000 0.764 34 A CB -0.420 18.610 19.000 0.049 0.000 1.002 34 A HN 0.343 nan 8.150 nan 0.000 0.502 35 P HA 0.187 nan 4.420 nan 0.000 0.268 35 P C -0.596 176.658 177.300 -0.076 0.000 1.204 35 P CA 0.009 63.092 63.100 -0.028 0.000 0.768 35 P CB 0.339 32.025 31.700 -0.024 0.000 0.842 36 L N 5.835 126.979 121.223 -0.131 0.000 2.410 36 L HA 0.178 4.527 4.340 0.015 0.000 0.273 36 L C -1.749 174.978 176.870 -0.238 0.000 1.144 36 L CA -1.722 52.956 54.840 -0.271 0.000 0.863 36 L CB 0.059 42.021 42.059 -0.162 0.000 1.140 36 L HN 0.240 nan 8.230 nan 0.000 0.463 37 P HA 0.066 nan 4.420 nan 0.000 0.265 37 P C -2.398 174.829 177.300 -0.122 0.000 1.193 37 P CA -0.821 62.158 63.100 -0.202 0.000 0.765 37 P CB -0.134 31.425 31.700 -0.234 0.000 0.823 38 P HA -0.008 nan 4.420 nan 0.000 0.261 38 P C 1.089 178.389 177.300 -0.000 0.000 1.173 38 P CA 1.525 64.609 63.100 -0.028 0.000 0.760 38 P CB 0.031 31.719 31.700 -0.021 0.000 0.783 39 G N 1.691 110.512 108.800 0.035 0.000 2.217 39 G HA2 -0.235 3.734 3.960 0.015 0.000 0.246 39 G HA3 -0.235 3.734 3.960 0.015 0.000 0.246 39 G C 0.367 175.359 174.900 0.153 0.000 0.990 39 G CA 0.115 45.267 45.100 0.087 0.000 0.627 39 G HN 0.607 nan 8.290 nan 0.000 0.522 40 T N 2.239 116.855 114.554 0.103 0.000 2.928 40 T HA 0.377 4.736 4.350 0.015 0.000 0.305 40 T C 0.441 175.348 174.700 0.345 0.000 1.035 40 T CA 0.039 62.230 62.100 0.152 0.000 1.145 40 T CB 0.560 69.443 68.868 0.026 0.000 0.963 40 T HN 0.184 nan 8.240 nan 0.000 0.545 41 Y N 2.305 122.664 120.300 0.098 0.000 2.550 41 Y HA 0.212 4.771 4.550 0.015 0.000 0.343 41 Y C 1.287 177.208 175.900 0.035 0.000 1.245 41 Y CA -0.583 57.532 58.100 0.025 0.000 1.462 41 Y CB 0.200 38.618 38.460 -0.071 0.000 1.340 41 Y HN 0.642 nan 8.280 nan 0.000 0.604 42 E N 2.287 122.502 120.200 0.024 0.000 2.416 42 E HA 0.384 4.743 4.350 0.015 0.000 0.273 42 E C -2.838 173.532 176.600 -0.383 0.000 0.935 42 E CA -2.479 53.830 56.400 -0.152 0.000 0.784 42 E CB 1.861 31.651 29.700 0.149 0.000 1.301 42 E HN 0.226 nan 8.360 nan 0.000 0.454 43 P HA -0.010 nan 4.420 nan 0.000 0.265 43 P C -0.800 176.394 177.300 -0.177 0.000 1.193 43 P CA 0.226 63.119 63.100 -0.346 0.000 0.765 43 P CB 0.412 31.982 31.700 -0.217 0.000 0.823 44 A N 3.837 126.586 122.820 -0.119 0.000 2.536 44 A HA -0.028 4.301 4.320 0.015 0.000 0.234 44 A C -0.053 177.520 177.584 -0.018 0.000 1.076 44 A CA 0.048 52.048 52.037 -0.061 0.000 0.769 44 A CB -0.635 18.352 19.000 -0.022 0.000 1.020 44 A HN 0.554 nan 8.150 nan 0.000 0.508 45 Y N 0.645 120.862 120.300 -0.138 0.000 2.903 45 Y HA 0.095 4.653 4.550 0.015 0.000 0.338 45 Y C 0.756 176.602 175.900 -0.091 0.000 1.265 45 Y CA 0.761 58.783 58.100 -0.131 0.000 1.532 45 Y CB 0.247 38.633 38.460 -0.124 0.000 1.293 45 Y HN 0.441 nan 8.280 nan 0.000 0.609 46 L N 5.443 126.286 121.223 -0.633 0.000 2.693 46 L HA 0.369 4.718 4.340 0.015 0.000 0.235 46 L C 1.016 177.503 176.870 -0.639 0.000 1.127 46 L CA 0.375 54.920 54.840 -0.491 0.000 0.914 46 L CB -0.519 41.353 42.059 -0.312 0.000 1.193 46 L HN 1.036 nan 8.230 nan 0.000 0.502 47 G N -0.265 107.758 108.800 -1.295 0.000 2.466 47 G HA2 -0.163 3.806 3.960 0.015 0.000 0.316 47 G HA3 -0.163 3.806 3.960 0.015 0.000 0.316 47 G C 0.527 175.152 174.900 -0.458 0.000 1.270 47 G CA -0.453 44.198 45.100 -0.748 0.000 0.982 47 G HN 0.071 nan 8.290 nan 0.000 0.506 48 G N -0.572 108.155 108.800 -0.122 0.000 2.535 48 G HA2 0.095 4.064 3.960 0.015 0.000 0.218 48 G HA3 0.095 4.064 3.960 0.015 0.000 0.218 48 G C 1.161 176.041 174.900 -0.032 0.000 1.122 48 G CA 1.537 46.637 45.100 -0.000 0.000 0.769 48 G HN 0.674 nan 8.290 nan 0.000 0.549 49 K N 0.345 120.688 120.400 -0.095 0.000 2.414 49 K HA 0.088 4.417 4.320 0.015 0.000 0.204 49 K C -0.262 176.277 176.600 -0.101 0.000 1.026 49 K CA -0.468 55.773 56.287 -0.076 0.000 1.108 49 K CB 0.603 33.062 32.500 -0.069 0.000 0.855 49 K HN 0.070 nan 8.250 nan 0.000 0.517 50 D N 2.907 123.212 120.400 -0.158 0.000 2.472 50 D HA -0.032 4.617 4.640 0.015 0.000 0.248 50 D C -1.408 174.859 176.300 -0.054 0.000 1.174 50 D CA -1.349 52.556 54.000 -0.158 0.000 0.883 50 D CB 1.256 41.911 40.800 -0.241 0.000 1.149 50 D HN 0.034 nan 8.370 nan 0.000 0.488 51 P HA -0.054 nan 4.420 nan 0.000 0.234 51 P C 0.683 178.005 177.300 0.038 0.000 1.167 51 P CA 0.645 63.739 63.100 -0.009 0.000 0.763 51 P CB 0.322 32.007 31.700 -0.025 0.000 0.835 52 R N -0.927 119.607 120.500 0.057 0.000 2.290 52 R HA 0.229 4.578 4.340 0.015 0.000 0.197 52 R C 0.172 176.579 176.300 0.178 0.000 0.913 52 R CA 0.243 56.428 56.100 0.143 0.000 1.040 52 R CB 0.549 30.942 30.300 0.156 0.000 0.992 52 R HN 0.021 nan 8.270 nan 0.000 0.500 53 V N 1.740 121.729 119.914 0.125 0.000 2.569 53 V HA 0.232 4.361 4.120 0.015 0.000 0.301 53 V C -0.675 175.489 176.094 0.117 0.000 1.044 53 V CA -1.058 61.328 62.300 0.144 0.000 0.874 53 V CB 2.105 34.038 31.823 0.184 0.000 1.002 53 V HN 0.050 nan 8.190 nan 0.000 0.424 54 K N 2.720 123.175 120.400 0.091 0.000 2.201 54 K HA 0.548 4.877 4.320 0.015 0.000 0.278 54 K C 0.975 177.612 176.600 0.061 0.000 1.027 54 K CA 0.194 56.520 56.287 0.065 0.000 0.909 54 K CB 1.352 33.882 32.500 0.049 0.000 1.062 54 K HN 1.112 nan 8.250 nan 0.000 0.465 55 G N 2.463 111.298 108.800 0.058 0.000 2.366 55 G HA2 -0.254 3.715 3.960 0.015 0.000 0.299 55 G HA3 -0.254 3.715 3.960 0.015 0.000 0.299 55 G C 0.399 175.335 174.900 0.059 0.000 1.020 55 G CA 0.149 45.280 45.100 0.051 0.000 1.026 55 G HN 0.819 nan 8.290 nan 0.000 0.512 56 G N 0.024 108.891 108.800 0.111 0.000 2.557 56 G HA2 0.771 4.740 3.960 0.015 0.000 0.292 56 G HA3 0.771 4.740 3.960 0.015 0.000 0.292 56 G C -1.167 173.806 174.900 0.121 0.000 1.237 56 G CA -0.528 44.630 45.100 0.096 0.000 0.978 56 G HN 0.387 nan 8.290 nan 0.000 0.498 57 P HA 0.177 nan 4.420 nan 0.000 0.272 57 P C 0.285 177.698 177.300 0.189 0.000 1.240 57 P CA -0.277 62.868 63.100 0.075 0.000 0.791 57 P CB 0.950 32.646 31.700 -0.006 0.000 0.978 58 S N 0.586 116.356 115.700 0.117 0.000 2.600 58 S HA 0.141 4.620 4.470 0.015 0.000 0.265 58 S C 1.572 176.248 174.600 0.125 0.000 1.325 58 S CA -0.677 57.584 58.200 0.101 0.000 1.002 58 S CB 0.041 63.275 63.200 0.056 0.000 0.921 58 S HN 0.374 nan 8.310 nan 0.000 0.554 59 L N 0.590 121.860 121.223 0.078 0.000 2.131 59 L HA -0.151 4.198 4.340 0.015 0.000 0.210 59 L C 2.752 179.655 176.870 0.056 0.000 1.092 59 L CA 1.160 56.040 54.840 0.067 0.000 0.759 59 L CB -0.678 41.382 42.059 0.000 0.000 0.903 59 L HN 0.671 nan 8.230 nan 0.000 0.435 60 Q N -0.092 119.738 119.800 0.051 0.000 2.084 60 Q HA -0.234 4.115 4.340 0.015 0.000 0.202 60 Q C 2.208 178.258 176.000 0.083 0.000 0.978 60 Q CA 1.558 57.403 55.803 0.071 0.000 0.844 60 Q CB -0.283 28.502 28.738 0.079 0.000 0.898 60 Q HN 0.501 nan 8.270 nan 0.000 0.426 61 Q N -0.460 119.379 119.800 0.066 0.000 2.084 61 Q HA -0.108 4.241 4.340 0.015 0.000 0.202 61 Q C 2.142 178.157 176.000 0.025 0.000 0.978 61 Q CA 1.472 57.298 55.803 0.039 0.000 0.844 61 Q CB -0.110 28.646 28.738 0.030 0.000 0.898 61 Q HN 0.227 nan 8.270 nan 0.000 0.426 62 V N 1.134 121.075 119.914 0.044 0.000 2.332 62 V HA -0.328 3.801 4.120 0.015 0.000 0.248 62 V C 2.249 178.358 176.094 0.024 0.000 1.055 62 V CA 2.050 64.371 62.300 0.034 0.000 1.038 62 V CB -0.533 31.339 31.823 0.082 0.000 0.651 62 V HN 0.451 nan 8.190 nan 0.000 0.450 63 M N -0.560 119.057 119.600 0.029 0.000 2.117 63 M HA -0.178 4.311 4.480 0.015 0.000 0.262 63 M C 2.492 178.797 176.300 0.009 0.000 1.065 63 M CA 1.778 57.084 55.300 0.009 0.000 1.114 63 M CB -0.228 32.374 32.600 0.002 0.000 1.361 63 M HN 0.149 nan 8.290 nan 0.000 0.408 64 R N 0.317 120.828 120.500 0.018 0.000 2.103 64 R HA -0.192 4.157 4.340 0.015 0.000 0.242 64 R C 1.630 177.908 176.300 -0.036 0.000 1.142 64 R CA 1.932 58.006 56.100 -0.042 0.000 0.960 64 R CB -0.670 29.564 30.300 -0.111 0.000 0.858 64 R HN 0.478 nan 8.270 nan 0.000 0.439 65 D N 0.074 120.463 120.400 -0.018 0.000 2.178 65 D HA -0.135 4.514 4.640 0.015 0.000 0.201 65 D C 2.021 178.335 176.300 0.023 0.000 0.980 65 D CA 1.046 55.040 54.000 -0.010 0.000 0.842 65 D CB -0.008 40.783 40.800 -0.015 0.000 0.948 65 D HN 0.188 nan 8.370 nan 0.000 0.472 66 Q N -0.281 119.543 119.800 0.040 0.000 2.212 66 Q HA 0.078 4.427 4.340 0.015 0.000 0.199 66 Q C 2.513 178.624 176.000 0.185 0.000 0.950 66 Q CA 0.220 56.081 55.803 0.096 0.000 0.863 66 Q CB 0.015 28.799 28.738 0.075 0.000 0.944 66 Q HN 0.368 nan 8.270 nan 0.000 0.465 67 L N 0.523 121.809 121.223 0.105 0.000 2.109 67 L HA -0.123 4.226 4.340 0.015 0.000 0.207 67 L C 2.346 179.348 176.870 0.221 0.000 1.086 67 L CA 0.927 55.853 54.840 0.143 0.000 0.760 67 L CB -0.254 41.810 42.059 0.008 0.000 0.910 67 L HN 0.123 nan 8.230 nan 0.000 0.437 68 K N 0.015 120.477 120.400 0.102 0.000 2.074 68 K HA -0.192 4.137 4.320 0.015 0.000 0.209 68 K C -0.458 176.191 176.600 0.081 0.000 1.048 68 K CA 1.606 57.928 56.287 0.059 0.000 0.926 68 K CB -1.142 31.357 32.500 -0.002 0.000 0.713 68 K HN 0.268 nan 8.250 nan 0.000 0.444 69 P HA -0.141 nan 4.420 nan 0.000 0.221 69 P C 0.771 178.034 177.300 -0.062 0.000 1.145 69 P CA 1.172 64.257 63.100 -0.025 0.000 0.795 69 P CB -0.033 31.615 31.700 -0.088 0.000 0.775 70 F N -0.416 119.549 119.950 0.025 0.000 2.407 70 F HA -0.072 4.466 4.527 0.017 0.000 0.299 70 F C 2.102 177.912 175.800 0.017 0.000 1.097 70 F CA 1.628 59.651 58.000 0.038 0.000 1.422 70 F CB -1.081 38.006 39.000 0.145 0.000 1.067 70 F HN 0.017 nan 8.300 nan 0.000 0.539 71 T N -3.780 110.873 114.554 0.166 0.000 3.022 71 T HA 0.158 4.517 4.350 0.015 0.000 0.250 71 T C 0.575 175.293 174.700 0.029 0.000 1.060 71 T CA -0.216 61.938 62.100 0.090 0.000 1.013 71 T CB -0.246 68.666 68.868 0.074 0.000 0.982 71 T HN 0.079 nan 8.240 nan 0.000 0.508 72 E N 2.519 122.723 120.200 0.006 0.000 2.392 72 E HA 0.288 4.647 4.350 0.015 0.000 0.256 72 E C -2.456 174.124 176.600 -0.035 0.000 1.145 72 E CA -1.987 54.400 56.400 -0.021 0.000 0.929 72 E CB 0.048 29.726 29.700 -0.036 0.000 0.998 72 E HN 0.212 nan 8.360 nan 0.000 0.442 73 P HA -0.028 nan 4.420 nan 0.000 0.265 73 P C -0.567 176.698 177.300 -0.058 0.000 1.187 73 P CA 0.272 63.348 63.100 -0.039 0.000 0.766 73 P CB 0.502 32.182 31.700 -0.034 0.000 0.820 74 R N 1.622 122.085 120.500 -0.061 0.000 2.679 74 R HA 0.351 4.700 4.340 0.015 0.000 0.269 74 R C 1.194 177.455 176.300 -0.066 0.000 1.076 74 R CA -0.121 55.930 56.100 -0.082 0.000 1.160 74 R CB -0.182 30.067 30.300 -0.084 0.000 1.054 74 R HN 0.604 nan 8.270 nan 0.000 0.507 75 G N 0.960 109.717 108.800 -0.071 0.000 2.631 75 G HA2 0.046 4.015 3.960 0.015 0.000 0.271 75 G HA3 0.046 4.015 3.960 0.015 0.000 0.271 75 G C -0.475 174.416 174.900 -0.015 0.000 1.302 75 G CA -0.516 44.565 45.100 -0.032 0.000 1.002 75 G HN 0.324 nan 8.290 nan 0.000 0.519 76 K N 1.276 121.693 120.400 0.029 0.000 2.350 76 K HA 0.185 4.514 4.320 0.015 0.000 0.279 76 K C -2.265 174.353 176.600 0.029 0.000 1.027 76 K CA -1.164 55.145 56.287 0.037 0.000 0.969 76 K CB 1.003 33.544 32.500 0.068 0.000 0.954 76 K HN 0.198 nan 8.250 nan 0.000 0.474 77 P HA 0.101 nan 4.420 nan 0.000 0.271 77 P C -2.498 174.714 177.300 -0.146 0.000 1.218 77 P CA -1.313 61.712 63.100 -0.124 0.000 0.780 77 P CB -0.212 31.430 31.700 -0.097 0.000 0.901 78 P HA 0.011 nan 4.420 nan 0.000 0.267 78 P C -0.064 177.177 177.300 -0.098 0.000 1.200 78 P CA 0.019 62.913 63.100 -0.343 0.000 0.772 78 P CB 0.244 31.624 31.700 -0.533 0.000 0.855 79 K N 5.013 125.417 120.400 0.007 0.000 2.473 79 K HA -0.079 4.250 4.320 0.015 0.000 0.277 79 K C -1.571 175.018 176.600 -0.018 0.000 1.052 79 K CA -0.609 55.684 56.287 0.010 0.000 1.114 79 K CB -0.122 32.402 32.500 0.040 0.000 0.869 79 K HN 0.272 nan 8.250 nan 0.000 0.481 80 P HA -0.261 nan 4.420 nan 0.000 0.216 80 P C 1.082 178.370 177.300 -0.019 0.000 1.157 80 P CA 1.821 64.903 63.100 -0.028 0.000 0.880 80 P CB 0.114 31.801 31.700 -0.022 0.000 0.791 81 S N -0.894 114.802 115.700 -0.007 0.000 2.382 81 S HA -0.145 4.334 4.470 0.015 0.000 0.228 81 S C 1.994 176.596 174.600 0.003 0.000 1.027 81 S CA 1.659 59.859 58.200 -0.001 0.000 0.991 81 S CB -1.946 61.258 63.200 0.006 0.000 0.823 81 S HN 0.151 nan 8.310 nan 0.000 0.469 82 V N -0.289 119.630 119.914 0.009 0.000 2.453 82 V HA 0.067 4.196 4.120 0.015 0.000 0.247 82 V C 2.346 178.439 176.094 -0.001 0.000 1.048 82 V CA 1.196 63.507 62.300 0.019 0.000 1.049 82 V CB -1.193 30.657 31.823 0.045 0.000 0.672 82 V HN 0.397 nan 8.190 nan 0.000 0.457 83 L N 1.181 122.387 121.223 -0.029 0.000 2.046 83 L HA -0.096 4.253 4.340 0.015 0.000 0.208 83 L C 2.537 179.381 176.870 -0.043 0.000 1.077 83 L CA 2.596 57.403 54.840 -0.055 0.000 0.747 83 L CB -0.929 41.080 42.059 -0.083 0.000 0.896 83 L HN 0.568 nan 8.230 nan 0.000 0.432 84 E N -0.149 120.033 120.200 -0.031 0.000 2.051 84 E HA -0.177 4.182 4.350 0.015 0.000 0.192 84 E C 2.099 178.687 176.600 -0.021 0.000 0.991 84 E CA 1.620 58.004 56.400 -0.026 0.000 0.799 84 E CB -0.430 29.259 29.700 -0.018 0.000 0.748 84 E HN 0.517 nan 8.360 nan 0.000 0.449 85 A N 0.861 123.676 122.820 -0.009 0.000 1.902 85 A HA -0.057 4.272 4.320 0.015 0.000 0.217 85 A C 2.469 180.050 177.584 -0.005 0.000 1.181 85 A CA 2.218 54.256 52.037 0.001 0.000 0.623 85 A CB -1.105 17.906 19.000 0.018 0.000 0.818 85 A HN 0.408 nan 8.150 nan 0.000 0.443 86 A N -0.088 122.725 122.820 -0.011 0.000 1.902 86 A HA -0.193 4.136 4.320 0.015 0.000 0.217 86 A C 2.139 179.662 177.584 -0.102 0.000 1.181 86 A CA 2.097 54.115 52.037 -0.032 0.000 0.623 86 A CB -0.506 18.480 19.000 -0.023 0.000 0.818 86 A HN 0.587 nan 8.150 nan 0.000 0.443 87 K N -0.018 120.328 120.400 -0.090 0.000 2.032 87 K HA -0.203 4.126 4.320 0.015 0.000 0.209 87 K C 2.001 178.550 176.600 -0.085 0.000 1.048 87 K CA 1.866 58.091 56.287 -0.103 0.000 0.927 87 K CB -0.216 32.246 32.500 -0.064 0.000 0.712 87 K HN 0.444 nan 8.250 nan 0.000 0.441 88 K N -0.232 120.140 120.400 -0.048 0.000 2.097 88 K HA -0.101 4.228 4.320 0.015 0.000 0.206 88 K C 2.121 178.705 176.600 -0.026 0.000 1.049 88 K CA 1.871 58.144 56.287 -0.024 0.000 0.933 88 K CB -0.127 32.367 32.500 -0.009 0.000 0.717 88 K HN 0.233 nan 8.250 nan 0.000 0.442 89 T N 1.735 116.265 114.554 -0.040 0.000 2.708 89 T HA -0.095 4.264 4.350 0.015 0.000 0.266 89 T C 1.895 176.539 174.700 -0.093 0.000 1.037 89 T CA 1.122 63.208 62.100 -0.024 0.000 1.146 89 T CB -0.163 68.716 68.868 0.020 0.000 0.865 89 T HN 0.141 nan 8.240 nan 0.000 0.435 90 I N 0.525 120.924 120.570 -0.285 0.000 2.226 90 I HA -0.139 4.040 4.170 0.015 0.000 0.245 90 I C 2.253 178.215 176.117 -0.258 0.000 1.100 90 I CA 1.289 62.241 61.300 -0.579 0.000 1.374 90 I CB -0.437 36.984 38.000 -0.965 0.000 1.057 90 I HN 0.221 nan 8.210 nan 0.000 0.413 91 I N 0.944 121.467 120.570 -0.078 0.000 2.208 91 I HA -0.317 3.862 4.170 0.015 0.000 0.245 91 I C 2.238 178.448 176.117 0.156 0.000 1.097 91 I CA 1.350 62.741 61.300 0.152 0.000 1.363 91 I CB -0.507 37.590 38.000 0.162 0.000 1.051 91 I HN 0.320 nan 8.210 nan 0.000 0.413 92 N N 0.452 119.194 118.700 0.070 0.000 2.120 92 N HA -0.122 4.627 4.740 0.015 0.000 0.188 92 N C 1.948 177.495 175.510 0.062 0.000 1.024 92 N CA 1.161 54.254 53.050 0.071 0.000 0.852 92 N CB -0.545 37.972 38.487 0.049 0.000 1.003 92 N HN 0.165 nan 8.380 nan 0.000 0.424 93 V N 1.941 121.890 119.914 0.059 0.000 2.287 93 V HA -0.192 3.937 4.120 0.015 0.000 0.248 93 V C 2.426 178.540 176.094 0.032 0.000 1.053 93 V CA 1.306 63.665 62.300 0.098 0.000 1.027 93 V CB -0.569 31.419 31.823 0.274 0.000 0.646 93 V HN 0.228 nan 8.190 nan 0.000 0.447 94 L N -0.545 120.643 121.223 -0.059 0.000 2.056 94 L HA -0.187 4.162 4.340 0.015 0.000 0.207 94 L C 2.578 179.333 176.870 -0.192 0.000 1.078 94 L CA 1.685 56.361 54.840 -0.274 0.000 0.749 94 L CB -0.673 40.915 42.059 -0.786 0.000 0.901 94 L HN 0.360 nan 8.230 nan 0.000 0.433 95 E N -0.060 120.167 120.200 0.045 0.000 2.118 95 E HA -0.272 4.087 4.350 0.015 0.000 0.195 95 E C 2.117 178.757 176.600 0.066 0.000 0.992 95 E CA 1.234 57.749 56.400 0.192 0.000 0.804 95 E CB -0.013 29.826 29.700 0.232 0.000 0.741 95 E HN 0.568 nan 8.360 nan 0.000 0.458 96 Q N -0.839 118.976 119.800 0.025 0.000 2.432 96 Q HA -0.002 4.347 4.340 0.015 0.000 0.205 96 Q C 1.351 177.325 176.000 -0.043 0.000 0.945 96 Q CA 0.894 56.700 55.803 0.005 0.000 0.924 96 Q CB 0.601 29.348 28.738 0.016 0.000 1.016 96 Q HN 0.143 nan 8.270 nan 0.000 0.503 97 T N 0.379 114.869 114.554 -0.107 0.000 3.114 97 T HA 0.182 4.541 4.350 0.015 0.000 0.240 97 T C 0.963 175.383 174.700 -0.468 0.000 0.983 97 T CA -0.075 61.888 62.100 -0.230 0.000 1.151 97 T CB 0.245 68.983 68.868 -0.216 0.000 0.974 97 T HN 0.250 nan 8.240 nan 0.000 0.442 98 I N 0.122 120.449 120.570 -0.405 0.000 2.934 98 I HA 0.559 4.738 4.170 0.015 0.000 0.315 98 I C -0.912 175.141 176.117 -0.106 0.000 0.997 98 I CA -0.924 60.124 61.300 -0.420 0.000 1.184 98 I CB 0.958 38.813 38.000 -0.242 0.000 1.400 98 I HN -0.049 nan 8.210 nan 0.000 0.549 99 D N 1.804 122.226 120.400 0.036 0.000 2.449 99 D HA 0.444 5.093 4.640 0.015 0.000 0.250 99 D C -2.591 173.781 176.300 0.120 0.000 1.050 99 D CA -1.220 52.838 54.000 0.098 0.000 1.024 99 D CB 1.276 42.160 40.800 0.140 0.000 1.218 99 D HN 0.374 nan 8.370 nan 0.000 0.566 100 P HA 0.165 nan 4.420 nan 0.000 0.267 100 P C -2.280 175.096 177.300 0.126 0.000 1.205 100 P CA -0.692 62.481 63.100 0.123 0.000 0.765 100 P CB -0.148 31.611 31.700 0.099 0.000 0.828 101 P HA 0.196 nan 4.420 nan 0.000 0.281 101 P C -0.631 176.753 177.300 0.139 0.000 1.249 101 P CA -0.270 62.908 63.100 0.131 0.000 0.810 101 P CB 0.811 32.579 31.700 0.114 0.000 1.008 102 D N 1.379 121.883 120.400 0.174 0.000 2.399 102 D HA 0.094 4.743 4.640 0.015 0.000 0.241 102 D C 0.506 176.957 176.300 0.250 0.000 1.133 102 D CA 0.293 54.420 54.000 0.212 0.000 0.890 102 D CB 0.607 41.566 40.800 0.265 0.000 1.201 102 D HN 0.216 nan 8.370 nan 0.000 0.432 103 K N 0.860 121.398 120.400 0.231 0.000 2.295 103 K HA 0.161 4.490 4.320 0.015 0.000 0.270 103 K C -0.436 176.413 176.600 0.416 0.000 1.011 103 K CA -0.239 56.201 56.287 0.255 0.000 0.953 103 K CB 0.713 33.330 32.500 0.196 0.000 0.956 103 K HN 0.312 nan 8.250 nan 0.000 0.477 104 W N 1.858 123.184 121.300 0.044 0.000 2.417 104 W HA 0.177 4.842 4.660 0.008 0.000 0.315 104 W C 0.343 176.882 176.519 0.035 0.000 1.045 104 W CA -0.890 56.468 57.345 0.022 0.000 1.221 104 W CB 1.022 30.473 29.460 -0.015 0.000 1.309 104 W HN 0.606 nan 8.180 nan 0.000 0.453 105 S N 2.210 118.023 115.700 0.189 0.000 2.608 105 S HA 0.073 4.552 4.470 0.015 0.000 0.261 105 S C 0.965 175.683 174.600 0.197 0.000 1.314 105 S CA -0.307 57.998 58.200 0.174 0.000 0.992 105 S CB 0.537 63.803 63.200 0.110 0.000 0.935 105 S HN 0.400 nan 8.310 nan 0.000 0.564 106 F N 1.682 121.680 119.950 0.080 0.000 2.091 106 F HA -0.075 4.465 4.527 0.021 0.000 0.299 106 F C 2.458 178.306 175.800 0.080 0.000 1.103 106 F CA 1.707 59.757 58.000 0.083 0.000 1.228 106 F CB -1.229 37.827 39.000 0.093 0.000 0.984 106 F HN 0.741 nan 8.300 nan 0.000 0.477 107 A N -0.093 122.701 122.820 -0.043 0.000 1.877 107 A HA -0.238 4.091 4.320 0.015 0.000 0.216 107 A C 2.145 179.628 177.584 -0.167 0.000 1.186 107 A CA 1.816 53.760 52.037 -0.156 0.000 0.620 107 A CB -0.919 18.051 19.000 -0.050 0.000 0.822 107 A HN 0.601 nan 8.150 nan 0.000 0.443 108 Q N -0.578 119.126 119.800 -0.160 0.000 2.084 108 Q HA -0.120 4.229 4.340 0.015 0.000 0.202 108 Q C 2.431 178.252 176.000 -0.298 0.000 0.978 108 Q CA 1.470 57.086 55.803 -0.313 0.000 0.844 108 Q CB -0.427 28.025 28.738 -0.476 0.000 0.898 108 Q HN 0.689 nan 8.270 nan 0.000 0.426 109 A N 0.349 123.122 122.820 -0.077 0.000 1.877 109 A HA -0.210 4.119 4.320 0.015 0.000 0.216 109 A C 2.334 179.914 177.584 -0.006 0.000 1.186 109 A CA 1.449 53.550 52.037 0.107 0.000 0.620 109 A CB -1.019 18.072 19.000 0.151 0.000 0.822 109 A HN 0.517 nan 8.150 nan 0.000 0.443 110 C N -0.999 118.215 119.300 -0.144 0.000 2.429 110 C HA 0.070 4.539 4.460 0.015 0.000 0.277 110 C C 3.313 178.151 174.990 -0.253 0.000 1.262 110 C CA 0.688 59.623 59.018 -0.137 0.000 1.733 110 C CB -1.397 26.194 27.740 -0.248 0.000 2.010 110 C HN 0.703 nan 8.230 nan 0.000 0.483 111 A N 1.324 124.048 122.820 -0.160 0.000 1.940 111 A HA -0.177 4.152 4.320 0.015 0.000 0.219 111 A C 2.293 179.752 177.584 -0.209 0.000 1.176 111 A CA 2.332 54.283 52.037 -0.144 0.000 0.631 111 A CB -0.808 18.136 19.000 -0.093 0.000 0.814 111 A HN 0.726 nan 8.150 nan 0.000 0.446 112 S N -0.457 115.144 115.700 -0.165 0.000 2.447 112 S HA 0.102 4.581 4.470 0.015 0.000 0.233 112 S C 0.785 175.364 174.600 -0.034 0.000 1.006 112 S CA 0.103 58.259 58.200 -0.074 0.000 0.957 112 S CB -0.746 62.495 63.200 0.067 0.000 0.773 112 S HN 0.401 nan 8.310 nan 0.000 0.507 113 L N 2.218 123.394 121.223 -0.077 0.000 2.452 113 L HA 0.292 4.641 4.340 0.015 0.000 0.267 113 L C 0.391 177.193 176.870 -0.114 0.000 1.188 113 L CA -0.471 54.343 54.840 -0.044 0.000 0.821 113 L CB 0.089 42.160 42.059 0.021 0.000 1.102 113 L HN 0.158 nan 8.230 nan 0.000 0.470 114 D N 2.011 122.382 120.400 -0.048 0.000 2.358 114 D HA 0.007 4.656 4.640 0.015 0.000 0.258 114 D C 0.486 176.734 176.300 -0.087 0.000 1.223 114 D CA -0.090 53.876 54.000 -0.057 0.000 0.886 114 D CB 0.999 41.799 40.800 -0.001 0.000 1.120 114 D HN 0.274 nan 8.370 nan 0.000 0.482 115 K N 1.912 122.219 120.400 -0.155 0.000 2.426 115 K HA -0.007 4.322 4.320 0.015 0.000 0.193 115 K C 1.595 178.167 176.600 -0.047 0.000 1.028 115 K CA 0.380 56.567 56.287 -0.165 0.000 1.047 115 K CB -0.268 32.025 32.500 -0.345 0.000 0.821 115 K HN 0.543 nan 8.250 nan 0.000 0.513 116 T N -1.793 112.745 114.554 -0.026 0.000 3.100 116 T HA 0.007 4.366 4.350 0.015 0.000 0.253 116 T C 0.987 175.699 174.700 0.021 0.000 1.118 116 T CA 0.095 62.197 62.100 0.004 0.000 1.058 116 T CB -0.250 68.619 68.868 0.002 0.000 0.953 116 T HN 0.192 nan 8.240 nan 0.000 0.515 117 T N -0.840 113.728 114.554 0.024 0.000 2.949 117 T HA 0.618 4.977 4.350 0.015 0.000 0.287 117 T C 0.043 174.774 174.700 0.052 0.000 1.034 117 T CA -0.744 61.381 62.100 0.042 0.000 1.018 117 T CB 1.553 70.450 68.868 0.048 0.000 1.135 117 T HN 0.078 nan 8.240 nan 0.000 0.532 118 S N 0.143 115.883 115.700 0.067 0.000 2.568 118 S HA 0.169 4.648 4.470 0.015 0.000 0.282 118 S C 1.530 176.163 174.600 0.054 0.000 1.338 118 S CA -0.074 58.173 58.200 0.078 0.000 1.045 118 S CB 0.062 63.332 63.200 0.116 0.000 0.873 118 S HN 0.986 nan 8.310 nan 0.000 0.516 119 S N 3.384 119.102 115.700 0.031 0.000 2.603 119 S HA 0.341 4.820 4.470 0.015 0.000 0.220 119 S C 1.303 175.873 174.600 -0.051 0.000 0.967 119 S CA 0.341 58.523 58.200 -0.030 0.000 0.920 119 S CB -1.242 61.926 63.200 -0.054 0.000 0.773 119 S HN 1.738 nan 8.310 nan 0.000 0.529 120 G N 1.511 110.304 108.800 -0.013 0.000 2.601 120 G HA2 -0.315 3.654 3.960 0.015 0.000 0.252 120 G HA3 -0.315 3.654 3.960 0.015 0.000 0.252 120 G C -0.266 174.371 174.900 -0.439 0.000 1.294 120 G CA 0.162 45.236 45.100 -0.043 0.000 0.912 120 G HN 0.971 nan 8.290 nan 0.000 0.574 121 H N 2.642 121.453 119.070 -0.431 0.000 2.897 121 H HA 0.402 4.959 4.556 0.002 0.000 0.347 121 H C -0.741 174.335 175.328 -0.421 0.000 1.068 121 H CA -0.183 55.554 56.048 -0.518 0.000 1.426 121 H CB 1.397 31.041 29.762 -0.197 0.000 1.410 121 H HN 0.267 nan 8.280 nan 0.000 0.597 122 P HA 0.003 nan 4.420 nan 0.000 0.264 122 P C 0.437 177.243 177.300 -0.824 0.000 1.259 122 P CA 0.731 63.050 63.100 -1.301 0.000 0.841 122 P CB 0.634 31.566 31.700 -1.281 0.000 1.232 123 H N -0.894 117.928 119.070 -0.413 0.000 2.497 123 H HA 0.065 4.621 4.556 0.000 0.000 0.282 123 H C 0.333 175.619 175.328 -0.070 0.000 1.003 123 H CA 0.605 56.541 56.048 -0.187 0.000 1.307 123 H CB -0.699 28.984 29.762 -0.131 0.000 1.437 123 H HN 0.270 nan 8.280 nan 0.000 0.544 124 H N -0.498 118.595 119.070 0.040 0.000 2.692 124 H HA -0.139 4.432 4.556 0.025 0.000 0.316 124 H C 0.002 175.358 175.328 0.048 0.000 1.176 124 H CA 0.798 56.867 56.048 0.035 0.000 1.142 124 H CB -2.152 27.620 29.762 0.017 0.000 1.475 124 H HN 0.368 nan 8.280 nan 0.000 0.423 125 M N 0.089 119.762 119.600 0.121 0.000 2.508 125 M HA 0.297 4.786 4.480 0.015 0.000 0.327 125 M C 1.043 177.393 176.300 0.084 0.000 1.160 125 M CA -0.572 54.786 55.300 0.097 0.000 0.980 125 M CB 2.510 35.156 32.600 0.077 0.000 1.693 125 M HN 0.091 nan 8.290 nan 0.000 0.452 126 R N 2.097 122.645 120.500 0.080 0.000 2.502 126 R HA -0.008 4.342 4.340 0.015 0.000 0.292 126 R C 0.542 176.898 176.300 0.092 0.000 0.998 126 R CA 0.537 56.682 56.100 0.075 0.000 1.056 126 R CB 0.535 30.875 30.300 0.066 0.000 0.939 126 R HN 0.708 nan 8.270 nan 0.000 0.411 127 K N 2.735 123.191 120.400 0.093 0.000 2.152 127 K HA -0.209 4.120 4.320 0.015 0.000 0.206 127 K C 1.320 178.049 176.600 0.214 0.000 1.048 127 K CA 1.668 58.051 56.287 0.161 0.000 0.933 127 K CB -0.074 32.521 32.500 0.157 0.000 0.721 127 K HN 0.518 nan 8.250 nan 0.000 0.447 128 N N 1.163 119.944 118.700 0.135 0.000 2.550 128 N HA -0.094 4.655 4.740 0.015 0.000 0.186 128 N C 0.487 176.111 175.510 0.189 0.000 1.110 128 N CA 0.789 53.944 53.050 0.175 0.000 0.912 128 N CB 0.085 38.636 38.487 0.106 0.000 0.968 128 N HN 0.097 nan 8.380 nan 0.000 0.448 129 D N -1.540 118.953 120.400 0.156 0.000 2.355 129 D HA 0.112 4.761 4.640 0.015 0.000 0.218 129 D C -0.088 176.296 176.300 0.140 0.000 1.004 129 D CA 0.463 54.537 54.000 0.123 0.000 0.880 129 D CB 0.124 40.977 40.800 0.089 0.000 0.911 129 D HN 0.194 nan 8.370 nan 0.000 0.528 130 C N 1.017 120.448 119.300 0.219 0.000 3.206 130 C HA 0.266 4.736 4.460 0.015 0.000 0.206 130 C C -0.903 174.334 174.990 0.411 0.000 1.836 130 C CA -1.071 58.094 59.018 0.245 0.000 1.382 130 C CB 0.059 27.922 27.740 0.205 0.000 2.405 130 C HN 0.307 nan 8.230 nan 0.000 0.516 131 W N 3.127 124.468 121.300 0.069 0.000 2.884 131 W HA 0.278 4.942 4.660 0.007 0.000 0.336 131 W C -0.485 175.996 176.519 -0.063 0.000 1.038 131 W CA -0.385 56.935 57.345 -0.042 0.000 1.247 131 W CB 1.206 30.618 29.460 -0.079 0.000 1.351 131 W HN 0.518 nan 8.180 nan 0.000 0.446 132 N N 3.494 121.792 118.700 -0.670 0.000 2.268 132 N HA 0.231 4.980 4.740 0.015 0.000 0.204 132 N C 1.082 176.147 175.510 -0.742 0.000 1.124 132 N CA 0.753 53.477 53.050 -0.544 0.000 0.838 132 N CB 0.602 38.877 38.487 -0.354 0.000 0.994 132 N HN 0.780 nan 8.380 nan 0.000 0.489 133 G N 0.670 108.615 108.800 -1.425 0.000 2.284 133 G HA2 -0.310 3.659 3.960 0.015 0.000 0.216 133 G HA3 -0.310 3.659 3.960 0.015 0.000 0.216 133 G C 0.579 174.997 174.900 -0.803 0.000 1.009 133 G CA 0.365 44.983 45.100 -0.804 0.000 0.625 133 G HN 0.596 nan 8.290 nan 0.000 0.501 134 E N -0.655 118.864 120.200 -1.135 0.000 2.603 134 E HA 0.400 4.759 4.350 0.015 0.000 0.218 134 E C 0.593 176.712 176.600 -0.802 0.000 0.878 134 E CA 0.888 56.858 56.400 -0.715 0.000 1.348 134 E CB 0.660 30.157 29.700 -0.337 0.000 1.318 134 E HN 1.075 nan 8.360 nan 0.000 0.673 135 S N -0.184 114.864 115.700 -1.087 0.000 2.579 135 S HA 0.587 5.066 4.470 0.015 0.000 0.272 135 S C -0.665 173.688 174.600 -0.412 0.000 1.141 135 S CA -0.944 56.926 58.200 -0.551 0.000 0.843 135 S CB 0.678 63.777 63.200 -0.169 0.000 1.122 135 S HN 0.075 nan 8.310 nan 0.000 0.468 136 F N 2.101 122.179 119.950 0.214 0.000 2.450 136 F HA 0.531 5.075 4.527 0.029 0.000 0.339 136 F C 1.614 177.474 175.800 0.101 0.000 1.146 136 F CA 0.351 58.505 58.000 0.256 0.000 1.267 136 F CB 0.983 40.137 39.000 0.258 0.000 1.178 136 F HN 0.900 nan 8.300 nan 0.000 0.585 137 T N -1.295 113.433 114.554 0.289 0.000 2.888 137 T HA 0.746 5.105 4.350 0.015 0.000 0.288 137 T C 0.413 175.174 174.700 0.101 0.000 1.063 137 T CA -0.422 61.758 62.100 0.134 0.000 1.010 137 T CB 1.221 70.130 68.868 0.068 0.000 1.214 137 T HN 1.178 nan 8.240 nan 0.000 0.533 138 G N 1.248 110.073 108.800 0.043 0.000 2.627 138 G HA2 -0.349 3.620 3.960 0.015 0.000 0.312 138 G HA3 -0.349 3.620 3.960 0.015 0.000 0.312 138 G C 0.737 175.609 174.900 -0.047 0.000 1.299 138 G CA 0.831 45.928 45.100 -0.004 0.000 0.989 138 G HN 0.977 nan 8.290 nan 0.000 0.547 139 K N -0.109 120.200 120.400 -0.151 0.000 2.209 139 K HA 0.140 4.469 4.320 0.015 0.000 0.204 139 K C 2.646 179.072 176.600 -0.289 0.000 1.048 139 K CA 1.305 57.393 56.287 -0.332 0.000 0.940 139 K CB -0.213 31.840 32.500 -0.745 0.000 0.729 139 K HN 0.408 nan 8.250 nan 0.000 0.451 140 L N 0.117 121.240 121.223 -0.166 0.000 2.156 140 L HA -0.102 4.247 4.340 0.015 0.000 0.208 140 L C 2.514 179.390 176.870 0.011 0.000 1.095 140 L CA 0.725 55.502 54.840 -0.106 0.000 0.770 140 L CB -0.602 41.400 42.059 -0.096 0.000 0.914 140 L HN 0.194 nan 8.230 nan 0.000 0.439 141 A N 0.510 123.403 122.820 0.122 0.000 1.908 141 A HA -0.308 4.021 4.320 0.015 0.000 0.218 141 A C 1.959 179.621 177.584 0.131 0.000 1.181 141 A CA 2.226 54.382 52.037 0.198 0.000 0.627 141 A CB -0.657 18.439 19.000 0.161 0.000 0.818 141 A HN 0.457 nan 8.150 nan 0.000 0.445 142 D N -1.097 119.339 120.400 0.059 0.000 2.104 142 D HA -0.239 4.410 4.640 0.015 0.000 0.194 142 D C 2.117 178.451 176.300 0.057 0.000 0.994 142 D CA 1.823 55.850 54.000 0.046 0.000 0.830 142 D CB -0.216 40.599 40.800 0.025 0.000 0.959 142 D HN 0.603 nan 8.370 nan 0.000 0.452 143 Q N -0.652 119.183 119.800 0.059 0.000 2.079 143 Q HA -0.120 4.229 4.340 0.015 0.000 0.200 143 Q C 2.071 178.105 176.000 0.055 0.000 0.974 143 Q CA 1.500 57.336 55.803 0.056 0.000 0.840 143 Q CB -0.227 28.547 28.738 0.059 0.000 0.898 143 Q HN 0.359 nan 8.270 nan 0.000 0.430 144 A N -0.158 122.715 122.820 0.088 0.000 1.898 144 A HA -0.127 4.202 4.320 0.015 0.000 0.216 144 A C 2.243 179.968 177.584 0.235 0.000 1.181 144 A CA 1.592 53.771 52.037 0.237 0.000 0.620 144 A CB -0.614 18.634 19.000 0.413 0.000 0.819 144 A HN 0.392 nan 8.150 nan 0.000 0.442 145 S N -0.486 115.292 115.700 0.129 0.000 2.359 145 S HA -0.185 4.294 4.470 0.015 0.000 0.224 145 S C 2.041 176.581 174.600 -0.100 0.000 1.035 145 S CA 1.761 59.902 58.200 -0.099 0.000 1.018 145 S CB -0.249 62.932 63.200 -0.031 0.000 0.876 145 S HN 0.680 nan 8.310 nan 0.000 0.448 146 K N 1.270 121.659 120.400 -0.017 0.000 2.057 146 K HA -0.060 4.269 4.320 0.015 0.000 0.207 146 K C 2.226 178.827 176.600 0.001 0.000 1.049 146 K CA 1.176 57.457 56.287 -0.010 0.000 0.931 146 K CB -0.370 32.137 32.500 0.010 0.000 0.714 146 K HN 0.284 nan 8.250 nan 0.000 0.440 147 A N 1.392 124.230 122.820 0.030 0.000 1.908 147 A HA -0.249 4.080 4.320 0.015 0.000 0.218 147 A C 1.915 179.545 177.584 0.077 0.000 1.181 147 A CA 2.122 54.195 52.037 0.060 0.000 0.627 147 A CB -0.932 18.120 19.000 0.087 0.000 0.818 147 A HN 0.538 nan 8.150 nan 0.000 0.445 148 N N -0.168 118.541 118.700 0.016 0.000 2.120 148 N HA -0.072 4.677 4.740 0.015 0.000 0.188 148 N C 1.552 177.071 175.510 0.015 0.000 1.024 148 N CA 1.540 54.576 53.050 -0.024 0.000 0.852 148 N CB -0.355 37.820 38.487 -0.521 0.000 1.003 148 N HN 0.481 nan 8.380 nan 0.000 0.424 149 L N -0.333 120.859 121.223 -0.051 0.000 2.056 149 L HA -0.117 4.232 4.340 0.015 0.000 0.207 149 L C 2.238 179.109 176.870 0.002 0.000 1.078 149 L CA 0.792 55.613 54.840 -0.032 0.000 0.749 149 L CB -0.376 41.653 42.059 -0.050 0.000 0.901 149 L HN 0.277 nan 8.230 nan 0.000 0.433 150 M N -1.056 118.557 119.600 0.022 0.000 2.159 150 M HA -0.229 4.260 4.480 0.015 0.000 0.263 150 M C 2.359 178.681 176.300 0.037 0.000 1.063 150 M CA 1.739 57.052 55.300 0.022 0.000 1.110 150 M CB -1.204 31.414 32.600 0.030 0.000 1.374 150 M HN 0.200 nan 8.290 nan 0.000 0.411 151 F N 1.835 121.757 119.950 -0.048 0.000 2.075 151 F HA -0.169 4.355 4.527 -0.004 0.000 0.297 151 F C 2.188 177.942 175.800 -0.076 0.000 1.113 151 F CA 1.768 59.729 58.000 -0.064 0.000 1.218 151 F CB -0.350 38.624 39.000 -0.042 0.000 0.984 151 F HN 0.215 nan 8.300 nan 0.000 0.472 152 E N -0.182 119.958 120.200 -0.100 0.000 2.153 152 E HA -0.207 4.152 4.350 0.015 0.000 0.194 152 E C 1.768 178.238 176.600 -0.217 0.000 0.988 152 E CA 1.471 57.750 56.400 -0.201 0.000 0.811 152 E CB -0.212 29.481 29.700 -0.012 0.000 0.746 152 E HN 0.629 nan 8.360 nan 0.000 0.466 153 E N -0.667 119.443 120.200 -0.150 0.000 2.479 153 E HA 0.077 4.436 4.350 0.015 0.000 0.193 153 E C 0.703 177.225 176.600 -0.131 0.000 1.049 153 E CA 0.239 56.571 56.400 -0.112 0.000 0.870 153 E CB 0.727 30.389 29.700 -0.064 0.000 0.944 153 E HN 0.297 nan 8.360 nan 0.000 0.492 154 G N 2.496 111.176 108.800 -0.201 0.000 2.198 154 G HA2 -0.305 3.664 3.960 0.015 0.000 0.257 154 G HA3 -0.305 3.664 3.960 0.015 0.000 0.257 154 G C -0.152 174.689 174.900 -0.098 0.000 1.042 154 G CA 0.290 45.281 45.100 -0.182 0.000 0.791 154 G HN 0.111 nan 8.290 nan 0.000 0.502 155 K N -0.123 120.234 120.400 -0.071 0.000 2.138 155 K HA 0.381 4.710 4.320 0.015 0.000 0.263 155 K C 0.262 176.852 176.600 -0.018 0.000 0.965 155 K CA -0.849 55.416 56.287 -0.036 0.000 0.868 155 K CB 0.879 33.364 32.500 -0.026 0.000 1.083 155 K HN 0.260 nan 8.250 nan 0.000 0.443 156 N N 1.789 120.482 118.700 -0.011 0.000 2.508 156 N HA 0.239 4.988 4.740 0.015 0.000 0.264 156 N C -0.561 174.953 175.510 0.006 0.000 1.216 156 N CA 0.416 53.466 53.050 0.001 0.000 0.943 156 N CB 0.550 39.038 38.487 0.002 0.000 1.113 156 N HN 0.271 nan 8.380 nan 0.000 0.447 157 M N 0.149 119.756 119.600 0.011 0.000 2.531 157 M HA 0.306 4.795 4.480 0.015 0.000 0.286 157 M C -0.972 175.330 176.300 0.003 0.000 1.232 157 M CA -0.800 54.505 55.300 0.008 0.000 0.877 157 M CB 2.324 34.931 32.600 0.012 0.000 1.726 157 M HN 0.321 nan 8.290 nan 0.000 0.463 158 T N 2.618 117.168 114.554 -0.006 0.000 2.728 158 T HA 0.418 4.777 4.350 0.015 0.000 0.296 158 T C -2.426 172.239 174.700 -0.059 0.000 0.940 158 T CA -1.083 61.007 62.100 -0.017 0.000 1.013 158 T CB 0.179 69.037 68.868 -0.016 0.000 0.912 158 T HN 0.283 nan 8.240 nan 0.000 0.484 159 P HA 0.332 nan 4.420 nan 0.000 0.271 159 P C -1.056 176.063 177.300 -0.302 0.000 1.218 159 P CA -0.458 62.501 63.100 -0.235 0.000 0.780 159 P CB 0.586 32.094 31.700 -0.320 0.000 0.901 160 V N 3.745 123.437 119.914 -0.370 0.000 2.443 160 V HA 0.293 4.422 4.120 0.015 0.000 0.293 160 V C -0.685 175.242 176.094 -0.279 0.000 1.021 160 V CA -0.546 61.563 62.300 -0.317 0.000 0.848 160 V CB 0.601 32.127 31.823 -0.494 0.000 0.998 160 V HN 0.404 nan 8.190 nan 0.000 0.424 161 Y N 1.699 122.044 120.300 0.075 0.000 2.354 161 Y HA 0.597 5.166 4.550 0.032 0.000 0.322 161 Y C 0.942 176.895 175.900 0.088 0.000 1.253 161 Y CA -0.585 57.601 58.100 0.143 0.000 1.272 161 Y CB 1.536 40.177 38.460 0.301 0.000 1.255 161 Y HN 0.468 nan 8.280 nan 0.000 0.500 162 T N 1.780 116.493 114.554 0.266 0.000 2.833 162 T HA 0.395 4.754 4.350 0.015 0.000 0.297 162 T C 0.224 174.957 174.700 0.055 0.000 1.015 162 T CA -0.885 61.312 62.100 0.162 0.000 0.963 162 T CB 0.558 69.572 68.868 0.243 0.000 0.955 162 T HN 0.937 nan 8.240 nan 0.000 0.449 163 G N 2.132 110.891 108.800 -0.068 0.000 2.398 163 G HA2 0.546 4.515 3.960 0.015 0.000 0.246 163 G HA3 0.546 4.515 3.960 0.015 0.000 0.246 163 G C -0.317 174.523 174.900 -0.100 0.000 1.289 163 G CA -0.270 44.718 45.100 -0.187 0.000 0.869 163 G HN 0.971 nan 8.290 nan 0.000 0.543 164 A N 1.693 124.456 122.820 -0.095 0.000 2.594 164 A HA 0.779 5.108 4.320 0.015 0.000 0.291 164 A C -0.929 176.634 177.584 -0.035 0.000 1.105 164 A CA -0.716 51.296 52.037 -0.041 0.000 0.694 164 A CB 1.238 20.241 19.000 0.003 0.000 1.291 164 A HN 0.720 nan 8.150 nan 0.000 0.410 165 L N 1.037 122.253 121.223 -0.011 0.000 2.341 165 L HA 0.496 4.845 4.340 0.015 0.000 0.278 165 L C 0.203 177.089 176.870 0.027 0.000 1.005 165 L CA -0.664 54.181 54.840 0.008 0.000 0.818 165 L CB 1.904 43.968 42.059 0.010 0.000 1.259 165 L HN 0.796 nan 8.230 nan 0.000 0.418 166 K N 1.940 122.367 120.400 0.044 0.000 2.339 166 K HA 0.039 4.368 4.320 0.015 0.000 0.286 166 K C -0.483 176.156 176.600 0.065 0.000 1.050 166 K CA -0.427 55.896 56.287 0.061 0.000 0.956 166 K CB 0.648 33.194 32.500 0.077 0.000 0.990 166 K HN 0.452 nan 8.250 nan 0.000 0.475 167 D N 4.926 125.372 120.400 0.077 0.000 2.344 167 D HA 0.021 4.670 4.640 0.015 0.000 0.253 167 D C -0.855 175.587 176.300 0.236 0.000 1.255 167 D CA 0.171 54.241 54.000 0.117 0.000 0.894 167 D CB 0.336 41.181 40.800 0.076 0.000 1.067 167 D HN 0.592 nan 8.370 nan 0.000 0.492 168 E N 2.219 122.550 120.200 0.218 0.000 2.423 168 E HA 0.347 4.706 4.350 0.015 0.000 0.280 168 E C -1.018 175.510 176.600 -0.121 0.000 1.030 168 E CA -1.027 55.495 56.400 0.202 0.000 0.812 168 E CB 0.550 30.319 29.700 0.116 0.000 1.313 168 E HN 0.210 nan 8.360 nan 0.000 0.456 169 L N 1.653 122.640 121.223 -0.393 0.000 2.367 169 L HA 0.479 4.828 4.340 0.015 0.000 0.275 169 L C 0.015 176.798 176.870 -0.145 0.000 1.129 169 L CA -0.587 53.981 54.840 -0.454 0.000 0.839 169 L CB 0.974 42.683 42.059 -0.584 0.000 1.133 169 L HN 0.521 nan 8.230 nan 0.000 0.453 170 V N 0.019 119.778 119.914 -0.258 0.000 3.130 170 V HA 0.484 4.613 4.120 0.015 0.000 0.310 170 V C -0.348 175.210 176.094 -0.894 0.000 1.158 170 V CA -1.461 60.547 62.300 -0.486 0.000 1.029 170 V CB 1.718 33.371 31.823 -0.284 0.000 1.057 170 V HN 0.608 nan 8.190 nan 0.000 0.436 171 K N 1.359 121.049 120.400 -1.183 0.000 2.524 171 K HA 0.098 4.427 4.320 0.015 0.000 0.279 171 K C 1.538 177.956 176.600 -0.304 0.000 0.993 171 K CA 0.839 56.661 56.287 -0.776 0.000 1.030 171 K CB 0.700 32.943 32.500 -0.428 0.000 0.891 171 K HN 1.056 nan 8.250 nan 0.000 0.488 172 T N -1.318 113.179 114.554 -0.095 0.000 2.915 172 T HA -0.153 4.206 4.350 0.015 0.000 0.269 172 T C 1.251 176.003 174.700 0.087 0.000 1.071 172 T CA 1.356 63.500 62.100 0.074 0.000 1.132 172 T CB -0.200 68.809 68.868 0.236 0.000 0.878 172 T HN 0.702 nan 8.240 nan 0.000 0.479 173 D N 1.730 122.142 120.400 0.021 0.000 2.310 173 D HA -0.104 4.545 4.640 0.015 0.000 0.212 173 D C 1.668 177.940 176.300 -0.046 0.000 0.965 173 D CA 0.758 54.768 54.000 0.018 0.000 0.879 173 D CB -0.426 40.373 40.800 -0.001 0.000 0.921 173 D HN 0.420 nan 8.370 nan 0.000 0.510 174 K N -0.334 120.007 120.400 -0.099 0.000 2.486 174 K HA 0.176 4.505 4.320 0.015 0.000 0.194 174 K C 1.604 178.100 176.600 -0.172 0.000 1.033 174 K CA 0.294 56.504 56.287 -0.128 0.000 1.004 174 K CB 0.390 32.808 32.500 -0.136 0.000 0.798 174 K HN 0.289 nan 8.250 nan 0.000 0.495 175 I N -1.786 118.650 120.570 -0.222 0.000 3.565 175 I HA -0.057 4.122 4.170 0.015 0.000 0.287 175 I C 1.008 176.857 176.117 -0.445 0.000 1.193 175 I CA 0.337 61.404 61.300 -0.389 0.000 1.402 175 I CB 0.270 37.894 38.000 -0.627 0.000 1.284 175 I HN -0.008 nan 8.210 nan 0.000 0.454 176 Y N 0.938 121.209 120.300 -0.048 0.000 2.458 176 Y HA 0.367 4.926 4.550 0.016 0.000 0.254 176 Y C 1.688 177.555 175.900 -0.055 0.000 1.120 176 Y CA 0.121 58.197 58.100 -0.039 0.000 1.282 176 Y CB -0.109 38.342 38.460 -0.016 0.000 1.109 176 Y HN 0.015 nan 8.280 nan 0.000 0.526 177 G N -0.077 108.747 108.800 0.039 0.000 3.434 177 G HA2 0.175 4.144 3.960 0.015 0.000 0.197 177 G HA3 0.175 4.144 3.960 0.015 0.000 0.197 177 G C -0.695 174.167 174.900 -0.063 0.000 1.559 177 G CA -0.561 44.537 45.100 -0.004 0.000 0.852 177 G HN -0.078 nan 8.290 nan 0.000 0.682 178 K N 1.226 121.588 120.400 -0.063 0.000 2.315 178 K HA 0.261 4.590 4.320 0.015 0.000 0.291 178 K C -0.002 176.529 176.600 -0.116 0.000 1.074 178 K CA -0.122 56.115 56.287 -0.083 0.000 0.936 178 K CB -0.698 31.766 32.500 -0.058 0.000 1.049 178 K HN 0.214 nan 8.250 nan 0.000 0.471 179 I N 5.090 125.555 120.570 -0.175 0.000 2.618 179 I HA 0.030 4.209 4.170 0.015 0.000 0.284 179 I C 0.313 176.344 176.117 -0.144 0.000 1.146 179 I CA 0.375 61.537 61.300 -0.230 0.000 1.425 179 I CB 0.462 38.196 38.000 -0.444 0.000 1.383 179 I HN 0.519 nan 8.210 nan 0.000 0.562 180 K N 6.379 126.715 120.400 -0.107 0.000 2.468 180 K HA 0.587 4.916 4.320 0.015 0.000 0.252 180 K C -1.067 175.516 176.600 -0.028 0.000 0.932 180 K CA -1.021 55.234 56.287 -0.054 0.000 0.794 180 K CB 2.814 35.287 32.500 -0.045 0.000 1.241 180 K HN 0.371 nan 8.250 nan 0.000 0.428 181 K N 1.808 122.211 120.400 0.005 0.000 2.501 181 K HA 0.251 4.580 4.320 0.015 0.000 0.252 181 K C -1.269 175.352 176.600 0.035 0.000 0.934 181 K CA -0.849 55.451 56.287 0.023 0.000 0.797 181 K CB 2.117 34.646 32.500 0.048 0.000 1.270 181 K HN 0.544 nan 8.250 nan 0.000 0.431 182 R N 4.103 124.630 120.500 0.044 0.000 2.401 182 R HA 0.111 4.460 4.340 0.015 0.000 0.299 182 R C -0.617 175.725 176.300 0.070 0.000 1.064 182 R CA -0.491 55.652 56.100 0.071 0.000 1.000 182 R CB 0.370 30.718 30.300 0.081 0.000 0.973 182 R HN 0.489 nan 8.270 nan 0.000 0.438 183 L N 6.145 127.419 121.223 0.086 0.000 2.360 183 L HA 0.287 4.636 4.340 0.015 0.000 0.276 183 L C -1.187 175.727 176.870 0.074 0.000 1.121 183 L CA 0.324 55.178 54.840 0.024 0.000 0.845 183 L CB 0.763 42.819 42.059 -0.005 0.000 1.143 183 L HN 0.581 nan 8.230 nan 0.000 0.452 184 L N 4.753 125.981 121.223 0.009 0.000 2.346 184 L HA 0.397 4.746 4.340 0.015 0.000 0.274 184 L C -1.257 175.636 176.870 0.039 0.000 1.007 184 L CA -0.564 54.350 54.840 0.124 0.000 0.818 184 L CB 1.623 43.752 42.059 0.116 0.000 1.284 184 L HN 0.641 nan 8.230 nan 0.000 0.424 185 W N 1.725 123.019 121.300 -0.010 0.000 2.309 185 W HA 0.476 5.142 4.660 0.010 0.000 0.332 185 W C 0.729 177.345 176.519 0.161 0.000 0.962 185 W CA -0.875 56.463 57.345 -0.011 0.000 1.497 185 W CB 0.908 30.197 29.460 -0.286 0.000 1.308 185 W HN 0.486 nan 8.180 nan 0.000 0.384 186 G N 2.156 111.143 108.800 0.313 0.000 2.299 186 G HA2 0.244 4.213 3.960 0.015 0.000 0.256 186 G HA3 0.244 4.213 3.960 0.015 0.000 0.256 186 G C 0.260 175.361 174.900 0.336 0.000 1.259 186 G CA -0.258 45.007 45.100 0.275 0.000 0.943 186 G HN 0.284 nan 8.290 nan 0.000 0.479 187 S N 1.165 117.042 115.700 0.295 0.000 2.603 187 S HA 0.193 4.672 4.470 0.015 0.000 0.268 187 S C 0.522 175.164 174.600 0.071 0.000 1.317 187 S CA -0.558 57.766 58.200 0.206 0.000 1.012 187 S CB 0.759 64.074 63.200 0.192 0.000 0.926 187 S HN 0.818 nan 8.310 nan 0.000 0.539 188 D N 1.032 121.411 120.400 -0.035 0.000 2.225 188 D HA 0.088 4.738 4.640 0.015 0.000 0.249 188 D C 1.176 177.453 176.300 -0.039 0.000 1.052 188 D CA -0.687 53.288 54.000 -0.041 0.000 0.909 188 D CB 1.011 41.779 40.800 -0.053 0.000 1.186 188 D HN 0.319 nan 8.370 nan 0.000 0.431 189 L N 2.945 124.131 121.223 -0.063 0.000 2.051 189 L HA -0.219 4.130 4.340 0.015 0.000 0.214 189 L C 2.411 179.252 176.870 -0.048 0.000 1.076 189 L CA 2.533 57.319 54.840 -0.089 0.000 0.758 189 L CB -0.882 41.063 42.059 -0.190 0.000 0.890 189 L HN 0.704 nan 8.230 nan 0.000 0.433 190 A N -1.994 120.807 122.820 -0.032 0.000 1.902 190 A HA -0.205 4.124 4.320 0.015 0.000 0.217 190 A C 2.271 179.862 177.584 0.011 0.000 1.181 190 A CA 2.279 54.318 52.037 0.003 0.000 0.623 190 A CB -1.162 17.840 19.000 0.003 0.000 0.818 190 A HN 0.505 nan 8.150 nan 0.000 0.443 191 T N 0.237 114.784 114.554 -0.011 0.000 2.746 191 T HA -0.163 4.197 4.350 0.015 0.000 0.267 191 T C 1.948 176.667 174.700 0.031 0.000 1.039 191 T CA 1.815 63.915 62.100 -0.000 0.000 1.142 191 T CB -0.353 68.488 68.868 -0.044 0.000 0.866 191 T HN 0.454 nan 8.240 nan 0.000 0.444 192 M N 0.290 119.912 119.600 0.035 0.000 2.080 192 M HA -0.054 4.436 4.480 0.015 0.000 0.260 192 M C 2.245 178.580 176.300 0.057 0.000 1.068 192 M CA 1.749 57.085 55.300 0.059 0.000 1.109 192 M CB -0.632 32.001 32.600 0.055 0.000 1.342 192 M HN 0.206 nan 8.290 nan 0.000 0.405 193 I N -0.465 120.138 120.570 0.056 0.000 2.252 193 I HA -0.276 3.903 4.170 0.015 0.000 0.245 193 I C 2.600 178.705 176.117 -0.021 0.000 1.102 193 I CA 1.309 62.654 61.300 0.076 0.000 1.385 193 I CB -0.365 37.732 38.000 0.162 0.000 1.064 193 I HN 0.261 nan 8.210 nan 0.000 0.414 194 R N -0.280 120.200 120.500 -0.034 0.000 2.092 194 R HA -0.124 4.225 4.340 0.015 0.000 0.231 194 R C 2.376 178.553 176.300 -0.205 0.000 1.119 194 R CA 1.495 57.518 56.100 -0.127 0.000 0.970 194 R CB -0.546 29.766 30.300 0.021 0.000 0.864 194 R HN 0.422 nan 8.270 nan 0.000 0.440 195 C N 0.051 119.313 119.300 -0.063 0.000 2.457 195 C HA 0.035 4.504 4.460 0.015 0.000 0.278 195 C C 2.908 177.855 174.990 -0.072 0.000 1.309 195 C CA 0.588 59.609 59.018 0.006 0.000 1.735 195 C CB -0.785 27.040 27.740 0.141 0.000 1.992 195 C HN 0.564 nan 8.230 nan 0.000 0.493 196 A N 0.729 123.513 122.820 -0.061 0.000 1.902 196 A HA -0.175 4.155 4.320 0.015 0.000 0.217 196 A C 2.264 179.740 177.584 -0.180 0.000 1.181 196 A CA 1.331 53.338 52.037 -0.050 0.000 0.623 196 A CB -0.476 18.644 19.000 0.200 0.000 0.818 196 A HN 0.652 nan 8.150 nan 0.000 0.443 197 R N -0.723 119.594 120.500 -0.305 0.000 2.090 197 R HA 0.005 4.354 4.340 0.015 0.000 0.228 197 R C 2.484 178.437 176.300 -0.578 0.000 1.110 197 R CA 1.038 56.829 56.100 -0.514 0.000 0.973 197 R CB -0.399 29.233 30.300 -1.113 0.000 0.869 197 R HN 0.516 nan 8.270 nan 0.000 0.440 198 A N 0.446 122.871 122.820 -0.659 0.000 1.873 198 A HA -0.103 4.226 4.320 0.015 0.000 0.215 198 A C 1.332 178.495 177.584 -0.701 0.000 1.186 198 A CA 1.291 52.935 52.037 -0.655 0.000 0.616 198 A CB -0.151 18.184 19.000 -1.109 0.000 0.823 198 A HN 0.258 nan 8.150 nan 0.000 0.442 199 F N -1.483 118.320 119.950 -0.245 0.000 2.767 199 F HA 0.283 4.820 4.527 0.017 0.000 0.323 199 F C 2.233 177.746 175.800 -0.479 0.000 1.091 199 F CA -0.334 57.505 58.000 -0.269 0.000 1.192 199 F CB -0.513 38.368 39.000 -0.200 0.000 1.056 199 F HN 0.208 nan 8.300 nan 0.000 0.571 200 G N 0.699 109.061 108.800 -0.731 0.000 2.440 200 G HA2 -0.190 3.779 3.960 0.015 0.000 0.218 200 G HA3 -0.190 3.779 3.960 0.015 0.000 0.218 200 G C 2.021 176.124 174.900 -1.328 0.000 1.154 200 G CA 1.064 45.221 45.100 -1.572 0.000 0.767 200 G HN 0.463 nan 8.290 nan 0.000 0.552 201 G N 0.708 108.829 108.800 -1.132 0.000 2.418 201 G HA2 -0.140 3.829 3.960 0.015 0.000 0.217 201 G HA3 -0.140 3.829 3.960 0.015 0.000 0.217 201 G C 1.738 176.587 174.900 -0.085 0.000 1.158 201 G CA 1.095 46.010 45.100 -0.309 0.000 0.771 201 G HN 0.427 nan 8.290 nan 0.000 0.545 202 L N 0.371 121.544 121.223 -0.083 0.000 2.056 202 L HA 0.062 4.411 4.340 0.015 0.000 0.207 202 L C 2.658 179.532 176.870 0.005 0.000 1.078 202 L CA 1.576 56.432 54.840 0.026 0.000 0.749 202 L CB -0.397 41.723 42.059 0.101 0.000 0.901 202 L HN 0.084 nan 8.230 nan 0.000 0.433 203 M N -0.737 118.831 119.600 -0.053 0.000 2.159 203 M HA -0.187 4.303 4.480 0.015 0.000 0.263 203 M C 1.954 178.266 176.300 0.021 0.000 1.063 203 M CA 1.398 56.681 55.300 -0.029 0.000 1.110 203 M CB -1.479 31.085 32.600 -0.059 0.000 1.374 203 M HN 0.259 nan 8.290 nan 0.000 0.411 204 D N 0.287 120.712 120.400 0.043 0.000 2.097 204 D HA -0.173 4.476 4.640 0.015 0.000 0.195 204 D C 1.994 178.355 176.300 0.102 0.000 0.989 204 D CA 1.335 55.410 54.000 0.124 0.000 0.827 204 D CB -0.161 40.782 40.800 0.238 0.000 0.966 204 D HN 0.357 nan 8.370 nan 0.000 0.456 205 E N 0.479 120.741 120.200 0.104 0.000 2.077 205 E HA -0.101 4.258 4.350 0.015 0.000 0.193 205 E C 2.211 178.906 176.600 0.157 0.000 0.989 205 E CA 0.717 57.197 56.400 0.133 0.000 0.800 205 E CB -0.384 29.398 29.700 0.136 0.000 0.746 205 E HN 0.248 nan 8.360 nan 0.000 0.452 206 L N 0.459 121.742 121.223 0.100 0.000 2.042 206 L HA -0.190 4.159 4.340 0.015 0.000 0.210 206 L C 2.723 179.641 176.870 0.080 0.000 1.076 206 L CA 1.696 56.590 54.840 0.090 0.000 0.749 206 L CB -0.526 41.558 42.059 0.042 0.000 0.893 206 L HN 0.156 nan 8.230 nan 0.000 0.432 207 K N -0.197 120.233 120.400 0.050 0.000 2.152 207 K HA -0.173 4.156 4.320 0.015 0.000 0.206 207 K C 1.866 178.462 176.600 -0.006 0.000 1.048 207 K CA 1.752 58.054 56.287 0.026 0.000 0.933 207 K CB -0.034 32.489 32.500 0.038 0.000 0.721 207 K HN 0.262 nan 8.250 nan 0.000 0.447 208 T N 0.017 114.553 114.554 -0.031 0.000 3.007 208 T HA -0.076 4.283 4.350 0.015 0.000 0.270 208 T C 0.711 175.176 174.700 -0.392 0.000 1.107 208 T CA 0.845 62.831 62.100 -0.190 0.000 1.118 208 T CB -0.121 68.614 68.868 -0.222 0.000 0.889 208 T HN 0.323 nan 8.240 nan 0.000 0.506 209 H N -0.257 118.811 119.070 -0.003 0.000 2.512 209 H HA 0.207 4.772 4.556 0.015 0.000 0.276 209 H C 1.871 177.179 175.328 -0.033 0.000 1.126 209 H CA -0.286 55.752 56.048 -0.017 0.000 1.060 209 H CB -0.333 29.420 29.762 -0.015 0.000 1.646 209 H HN 0.509 nan 8.280 nan 0.000 0.571 210 C N -1.159 118.154 119.300 0.021 0.000 2.456 210 C HA 0.043 4.512 4.460 0.015 0.000 0.279 210 C C 2.196 177.168 174.990 -0.031 0.000 1.427 210 C CA -0.171 58.845 59.018 -0.003 0.000 1.778 210 C CB -1.406 26.331 27.740 -0.004 0.000 1.842 210 C HN 0.189 nan 8.230 nan 0.000 0.531 211 V N 1.297 121.191 119.914 -0.034 0.000 2.951 211 V HA -0.068 4.061 4.120 0.015 0.000 0.255 211 V C 2.633 178.687 176.094 -0.067 0.000 1.088 211 V CA 2.317 64.582 62.300 -0.059 0.000 1.109 211 V CB -0.691 31.099 31.823 -0.056 0.000 0.724 211 V HN 0.662 nan 8.190 nan 0.000 0.471 212 T N -0.313 114.224 114.554 -0.029 0.000 3.039 212 T HA 0.297 4.656 4.350 0.015 0.000 0.250 212 T C 0.717 175.364 174.700 -0.088 0.000 1.052 212 T CA 0.321 62.398 62.100 -0.039 0.000 1.125 212 T CB 0.071 68.958 68.868 0.032 0.000 0.908 212 T HN 0.133 nan 8.240 nan 0.000 0.473 213 L N 1.575 122.752 121.223 -0.077 0.000 2.399 213 L HA 0.291 4.640 4.340 0.015 0.000 0.265 213 L C -1.570 175.131 176.870 -0.282 0.000 1.089 213 L CA -2.323 52.426 54.840 -0.151 0.000 0.802 213 L CB 1.006 43.034 42.059 -0.053 0.000 1.180 213 L HN -0.123 nan 8.230 nan 0.000 0.454 214 P HA -0.060 nan 4.420 nan 0.000 0.222 214 P C 0.192 177.296 177.300 -0.326 0.000 1.147 214 P CA 1.105 63.839 63.100 -0.609 0.000 0.790 214 P CB 0.125 31.172 31.700 -1.089 0.000 0.780 215 I N 0.700 121.154 120.570 -0.194 0.000 2.329 215 I HA 0.087 4.266 4.170 0.015 0.000 0.295 215 I C 1.318 177.400 176.117 -0.058 0.000 1.109 215 I CA -0.244 61.034 61.300 -0.037 0.000 1.297 215 I CB 0.545 38.567 38.000 0.037 0.000 1.433 215 I HN -0.219 nan 8.210 nan 0.000 0.509 216 R N 4.373 124.859 120.500 -0.022 0.000 2.320 216 R HA 0.162 4.511 4.340 0.015 0.000 0.211 216 R C 0.006 176.307 176.300 0.000 0.000 0.931 216 R CA -0.122 56.009 56.100 0.053 0.000 1.071 216 R CB -0.438 30.026 30.300 0.273 0.000 1.025 216 R HN 0.344 nan 8.270 nan 0.000 0.495 217 V N 1.064 120.821 119.914 -0.262 0.000 2.493 217 V HA 0.155 4.284 4.120 0.015 0.000 0.292 217 V C 1.494 177.562 176.094 -0.043 0.000 1.016 217 V CA 1.376 63.477 62.300 -0.332 0.000 1.097 217 V CB 0.551 32.134 31.823 -0.400 0.000 0.947 217 V HN 0.738 nan 8.190 nan 0.000 0.479 218 G N 4.079 112.923 108.800 0.073 0.000 2.211 218 G HA2 -0.196 3.773 3.960 0.015 0.000 0.201 218 G HA3 -0.196 3.773 3.960 0.015 0.000 0.201 218 G C 0.136 175.077 174.900 0.069 0.000 0.997 218 G CA 0.009 45.149 45.100 0.067 0.000 0.652 218 G HN 0.882 nan 8.290 nan 0.000 0.500 219 M N 0.602 120.263 119.600 0.101 0.000 2.233 219 M HA 0.623 5.112 4.480 0.015 0.000 0.350 219 M C -0.184 176.150 176.300 0.056 0.000 1.176 219 M CA -0.333 55.007 55.300 0.067 0.000 1.150 219 M CB 0.964 33.614 32.600 0.085 0.000 1.530 219 M HN 0.078 nan 8.290 nan 0.000 0.459 220 N N 4.334 123.042 118.700 0.013 0.000 2.457 220 N HA 0.157 4.906 4.740 0.015 0.000 0.250 220 N C 0.022 175.521 175.510 -0.018 0.000 0.982 220 N CA -0.377 52.674 53.050 0.002 0.000 0.941 220 N CB 1.313 39.792 38.487 -0.014 0.000 1.120 220 N HN 1.010 nan 8.380 nan 0.000 0.505 221 M N 4.293 123.894 119.600 0.002 0.000 2.108 221 M HA -0.100 4.389 4.480 0.015 0.000 0.261 221 M C 1.291 177.584 176.300 -0.012 0.000 1.066 221 M CA 1.736 57.039 55.300 0.006 0.000 1.107 221 M CB -0.659 31.976 32.600 0.058 0.000 1.356 221 M HN 0.644 nan 8.290 nan 0.000 0.406 222 N N -0.305 118.382 118.700 -0.021 0.000 2.216 222 N HA -0.105 4.644 4.740 0.015 0.000 0.183 222 N C 1.435 176.900 175.510 -0.075 0.000 1.017 222 N CA 1.707 54.726 53.050 -0.053 0.000 0.861 222 N CB 0.053 38.483 38.487 -0.093 0.000 0.986 222 N HN 0.593 nan 8.380 nan 0.000 0.428 223 E N -1.220 118.937 120.200 -0.073 0.000 2.251 223 E HA 0.017 4.376 4.350 0.015 0.000 0.194 223 E C 0.561 177.121 176.600 -0.067 0.000 0.964 223 E CA 0.499 56.857 56.400 -0.071 0.000 0.868 223 E CB 0.281 29.942 29.700 -0.066 0.000 0.828 223 E HN 0.349 nan 8.360 nan 0.000 0.481 224 D N -0.034 120.315 120.400 -0.084 0.000 2.338 224 D HA 0.007 4.656 4.640 0.015 0.000 0.208 224 D C 1.908 178.081 176.300 -0.212 0.000 0.997 224 D CA 0.654 54.585 54.000 -0.115 0.000 0.880 224 D CB -0.184 40.557 40.800 -0.098 0.000 0.980 224 D HN 0.171 nan 8.370 nan 0.000 0.509 225 G N 2.345 110.985 108.800 -0.266 0.000 2.529 225 G HA2 -0.238 3.731 3.960 0.015 0.000 0.219 225 G HA3 -0.238 3.731 3.960 0.015 0.000 0.219 225 G C -0.724 173.902 174.900 -0.457 0.000 1.177 225 G CA 0.705 45.452 45.100 -0.589 0.000 0.773 225 G HN 0.295 nan 8.290 nan 0.000 0.573 226 P HA -0.026 nan 4.420 nan 0.000 0.216 226 P C 1.869 179.213 177.300 0.074 0.000 1.150 226 P CA 0.771 63.950 63.100 0.132 0.000 0.837 226 P CB -0.054 31.733 31.700 0.145 0.000 0.786 227 I N -1.520 119.034 120.570 -0.028 0.000 2.202 227 I HA -0.198 3.981 4.170 0.015 0.000 0.242 227 I C 2.295 178.362 176.117 -0.084 0.000 1.091 227 I CA 1.352 62.632 61.300 -0.033 0.000 1.368 227 I CB -0.556 37.415 38.000 -0.050 0.000 1.058 227 I HN -0.149 nan 8.210 nan 0.000 0.410 228 I N 0.027 120.482 120.570 -0.192 0.000 2.179 228 I HA -0.283 3.896 4.170 0.015 0.000 0.242 228 I C 2.304 178.384 176.117 -0.062 0.000 1.088 228 I CA 1.449 62.631 61.300 -0.197 0.000 1.357 228 I CB -0.310 37.498 38.000 -0.320 0.000 1.051 228 I HN 0.083 nan 8.210 nan 0.000 0.409 229 F N 0.710 120.587 119.950 -0.120 0.000 2.186 229 F HA -0.158 4.378 4.527 0.015 0.000 0.299 229 F C 2.603 178.044 175.800 -0.597 0.000 1.090 229 F CA 0.977 58.769 58.000 -0.347 0.000 1.307 229 F CB -1.012 37.803 39.000 -0.308 0.000 1.019 229 F HN 0.111 nan 8.300 nan 0.000 0.489 230 E N 0.943 121.035 120.200 -0.181 0.000 2.077 230 E HA -0.193 4.166 4.350 0.015 0.000 0.193 230 E C 2.353 178.894 176.600 -0.098 0.000 0.989 230 E CA 1.052 57.361 56.400 -0.152 0.000 0.800 230 E CB -0.060 29.728 29.700 0.148 0.000 0.746 230 E HN 0.367 nan 8.360 nan 0.000 0.452 231 R N -0.517 119.947 120.500 -0.059 0.000 2.073 231 R HA -0.109 4.240 4.340 0.015 0.000 0.234 231 R C 2.501 178.812 176.300 0.018 0.000 1.134 231 R CA 1.163 57.242 56.100 -0.036 0.000 0.952 231 R CB -0.590 29.658 30.300 -0.086 0.000 0.850 231 R HN 0.387 nan 8.270 nan 0.000 0.433 232 H N 0.522 119.541 119.070 -0.085 0.000 2.387 232 H HA -0.101 4.464 4.556 0.015 0.000 0.299 232 H C 2.360 177.725 175.328 0.062 0.000 1.099 232 H CA 2.072 58.086 56.048 -0.057 0.000 1.315 232 H CB -0.055 29.585 29.762 -0.203 0.000 1.380 232 H HN 0.281 nan 8.280 nan 0.000 0.513 233 S N 0.891 116.543 115.700 -0.080 0.000 2.447 233 S HA -0.090 4.389 4.470 0.015 0.000 0.233 233 S C 1.956 176.630 174.600 0.124 0.000 1.006 233 S CA 0.494 58.626 58.200 -0.113 0.000 0.957 233 S CB -0.151 62.821 63.200 -0.379 0.000 0.773 233 S HN 0.365 nan 8.310 nan 0.000 0.507 234 R N -0.480 120.066 120.500 0.077 0.000 2.237 234 R HA 0.108 4.457 4.340 0.015 0.000 0.219 234 R C -0.047 176.152 176.300 -0.168 0.000 1.080 234 R CA 0.554 56.618 56.100 -0.060 0.000 0.995 234 R CB -0.254 29.936 30.300 -0.183 0.000 0.875 234 R HN 0.480 nan 8.270 nan 0.000 0.462 235 Y N 0.017 120.297 120.300 -0.033 0.000 2.298 235 Y HA 0.106 4.665 4.550 0.015 0.000 0.329 235 Y C 1.727 177.474 175.900 -0.256 0.000 1.293 235 Y CA -0.367 57.648 58.100 -0.141 0.000 1.388 235 Y CB 0.587 38.944 38.460 -0.172 0.000 1.309 235 Y HN -0.259 nan 8.280 nan 0.000 0.544 236 R N -0.084 120.272 120.500 -0.239 0.000 2.127 236 R HA 0.050 4.399 4.340 0.015 0.000 0.217 236 R C -0.902 174.942 176.300 -0.761 0.000 1.074 236 R CA 0.854 56.632 56.100 -0.537 0.000 0.991 236 R CB 0.192 30.032 30.300 -0.766 0.000 0.895 236 R HN 0.622 nan 8.270 nan 0.000 0.450 237 Y N -0.474 119.640 120.300 -0.311 0.000 2.485 237 Y HA 0.453 5.012 4.550 0.015 0.000 0.345 237 Y C -0.410 175.162 175.900 -0.547 0.000 0.998 237 Y CA -1.096 56.830 58.100 -0.291 0.000 1.059 237 Y CB 1.711 40.141 38.460 -0.050 0.000 1.234 237 Y HN -0.017 nan 8.280 nan 0.000 0.461 238 H N 1.830 121.046 119.070 0.242 0.000 2.865 238 H HA 0.361 4.926 4.556 0.015 0.000 0.362 238 H C -1.668 173.767 175.328 0.178 0.000 1.114 238 H CA -0.984 55.131 56.048 0.112 0.000 1.208 238 H CB 2.398 32.165 29.762 0.009 0.000 1.727 238 H HN 0.789 nan 8.280 nan 0.000 0.534 239 Y N -0.076 120.320 120.300 0.159 0.000 2.512 239 Y HA 0.472 5.031 4.550 0.015 0.000 0.348 239 Y C -0.942 174.996 175.900 0.064 0.000 0.990 239 Y CA -1.160 56.998 58.100 0.097 0.000 1.033 239 Y CB 1.469 39.976 38.460 0.079 0.000 1.259 239 Y HN 0.470 nan 8.280 nan 0.000 0.461 240 D N 1.843 122.338 120.400 0.158 0.000 2.392 240 D HA 0.828 5.477 4.640 0.015 0.000 0.246 240 D C -0.972 175.433 176.300 0.176 0.000 1.013 240 D CA -0.831 53.218 54.000 0.082 0.000 0.993 240 D CB 1.905 42.718 40.800 0.021 0.000 1.219 240 D HN 1.091 nan 8.370 nan 0.000 0.538 241 A N 0.021 122.927 122.820 0.144 0.000 2.583 241 A HA 0.537 4.866 4.320 0.015 0.000 0.292 241 A C -1.944 175.678 177.584 0.064 0.000 1.045 241 A CA -0.839 51.244 52.037 0.076 0.000 0.672 241 A CB 1.355 20.396 19.000 0.067 0.000 1.283 241 A HN 0.633 nan 8.150 nan 0.000 0.419 242 D N -1.098 119.266 120.400 -0.059 0.000 2.523 242 D HA 0.743 5.392 4.640 0.015 0.000 0.236 242 D C -1.663 174.550 176.300 -0.145 0.000 1.094 242 D CA -0.052 53.958 54.000 0.015 0.000 0.942 242 D CB 1.271 42.097 40.800 0.044 0.000 1.447 242 D HN 0.400 nan 8.370 nan 0.000 0.479 243 Y N 0.060 120.432 120.300 0.121 0.000 2.485 243 Y HA 0.455 5.014 4.550 0.016 0.000 0.345 243 Y C 0.160 176.142 175.900 0.137 0.000 0.998 243 Y CA -0.919 57.283 58.100 0.170 0.000 1.059 243 Y CB 2.246 40.920 38.460 0.356 0.000 1.234 243 Y HN 0.182 nan 8.280 nan 0.000 0.461 244 S N 2.779 118.611 115.700 0.219 0.000 2.548 244 S HA 0.225 4.704 4.470 0.015 0.000 0.277 244 S C -0.099 174.584 174.600 0.138 0.000 1.315 244 S CA -0.940 57.341 58.200 0.135 0.000 1.050 244 S CB 0.159 63.400 63.200 0.069 0.000 0.918 244 S HN 0.724 nan 8.310 nan 0.000 0.497 245 R N 1.065 121.631 120.500 0.110 0.000 3.184 245 R HA -0.235 4.114 4.340 0.015 0.000 0.242 245 R C 0.765 177.097 176.300 0.054 0.000 0.907 245 R CA 0.623 56.764 56.100 0.069 0.000 0.618 245 R CB -2.173 28.121 30.300 -0.010 0.000 1.016 245 R HN 0.875 nan 8.270 nan 0.000 0.469 246 W N 3.005 124.278 121.300 -0.045 0.000 2.302 246 W HA -0.323 4.345 4.660 0.014 0.000 0.320 246 W C 1.423 177.824 176.519 -0.196 0.000 1.241 246 W CA 2.459 59.735 57.345 -0.115 0.000 1.264 246 W CB -0.409 28.998 29.460 -0.089 0.000 1.154 246 W HN 0.623 nan 8.180 nan 0.000 0.483 247 D N 0.515 120.912 120.400 -0.005 0.000 2.123 247 D HA -0.249 4.400 4.640 0.015 0.000 0.196 247 D C 2.103 178.110 176.300 -0.488 0.000 0.992 247 D CA 2.515 56.415 54.000 -0.166 0.000 0.833 247 D CB -1.314 39.551 40.800 0.109 0.000 0.954 247 D HN 0.234 nan 8.370 nan 0.000 0.455 248 S N -0.264 115.023 115.700 -0.689 0.000 2.447 248 S HA -0.137 4.342 4.470 0.015 0.000 0.233 248 S C 1.883 176.011 174.600 -0.787 0.000 1.006 248 S CA 1.464 58.852 58.200 -1.353 0.000 0.957 248 S CB -1.122 61.462 63.200 -1.027 0.000 0.773 248 S HN 0.526 nan 8.310 nan 0.000 0.507 249 T N -1.948 112.259 114.554 -0.579 0.000 3.086 249 T HA 0.221 4.580 4.350 0.015 0.000 0.250 249 T C 0.491 174.872 174.700 -0.532 0.000 1.074 249 T CA -0.445 61.371 62.100 -0.474 0.000 0.988 249 T CB -0.143 68.493 68.868 -0.387 0.000 0.988 249 T HN 0.153 nan 8.240 nan 0.000 0.530 250 Q N 2.117 121.543 119.800 -0.622 0.000 2.373 250 Q HA 0.289 4.638 4.340 0.015 0.000 0.255 250 Q C -0.182 175.583 176.000 -0.391 0.000 0.980 250 Q CA 0.353 55.800 55.803 -0.594 0.000 0.882 250 Q CB 0.724 29.079 28.738 -0.638 0.000 1.249 250 Q HN 0.621 nan 8.270 nan 0.000 0.438 251 Q N 2.022 121.620 119.800 -0.335 0.000 2.257 251 Q HA 0.271 4.620 4.340 0.015 0.000 0.255 251 Q C 0.901 176.789 176.000 -0.187 0.000 0.920 251 Q CA -0.667 54.999 55.803 -0.227 0.000 0.927 251 Q CB 1.432 30.046 28.738 -0.207 0.000 1.229 251 Q HN 0.313 nan 8.270 nan 0.000 0.433 252 R N 1.356 121.781 120.500 -0.126 0.000 2.152 252 R HA -0.154 4.195 4.340 0.015 0.000 0.232 252 R C 1.787 178.066 176.300 -0.036 0.000 1.117 252 R CA 1.260 57.322 56.100 -0.063 0.000 0.981 252 R CB -0.528 29.761 30.300 -0.020 0.000 0.870 252 R HN 0.747 nan 8.270 nan 0.000 0.451 253 A N 0.771 123.553 122.820 -0.063 0.000 1.908 253 A HA -0.135 4.194 4.320 0.015 0.000 0.218 253 A C 2.444 179.989 177.584 -0.065 0.000 1.181 253 A CA 1.704 53.706 52.037 -0.058 0.000 0.627 253 A CB -0.481 18.472 19.000 -0.079 0.000 0.818 253 A HN 0.116 nan 8.150 nan 0.000 0.445 254 V N 0.007 119.857 119.914 -0.108 0.000 2.379 254 V HA -0.183 3.946 4.120 0.015 0.000 0.245 254 V C 2.500 178.574 176.094 -0.034 0.000 1.044 254 V CA 1.639 63.871 62.300 -0.112 0.000 1.036 254 V CB -0.748 30.957 31.823 -0.196 0.000 0.664 254 V HN 0.561 nan 8.190 nan 0.000 0.453 255 L N 0.382 121.589 121.223 -0.028 0.000 2.127 255 L HA -0.175 4.174 4.340 0.015 0.000 0.211 255 L C 2.725 179.792 176.870 0.327 0.000 1.089 255 L CA 1.447 56.381 54.840 0.157 0.000 0.757 255 L CB -0.863 41.199 42.059 0.004 0.000 0.899 255 L HN 0.377 nan 8.230 nan 0.000 0.434 256 A N 0.266 123.177 122.820 0.153 0.000 1.902 256 A HA -0.158 4.171 4.320 0.015 0.000 0.217 256 A C 2.577 180.198 177.584 0.061 0.000 1.181 256 A CA 1.742 53.840 52.037 0.102 0.000 0.623 256 A CB -0.622 18.407 19.000 0.048 0.000 0.818 256 A HN 0.394 nan 8.150 nan 0.000 0.443 257 A N -0.136 122.707 122.820 0.038 0.000 1.902 257 A HA 0.175 4.504 4.320 0.015 0.000 0.217 257 A C 2.517 180.116 177.584 0.025 0.000 1.181 257 A CA 2.059 54.102 52.037 0.009 0.000 0.623 257 A CB -1.057 17.930 19.000 -0.022 0.000 0.818 257 A HN 1.074 nan 8.150 nan 0.000 0.443 258 A N -0.303 122.565 122.820 0.081 0.000 1.908 258 A HA -0.097 4.232 4.320 0.015 0.000 0.218 258 A C 2.179 179.774 177.584 0.018 0.000 1.181 258 A CA 1.611 53.715 52.037 0.113 0.000 0.627 258 A CB -0.616 18.563 19.000 0.299 0.000 0.818 258 A HN 0.477 nan 8.150 nan 0.000 0.445 259 L N -0.901 120.304 121.223 -0.031 0.000 2.141 259 L HA -0.185 4.164 4.340 0.015 0.000 0.209 259 L C 2.557 179.378 176.870 -0.081 0.000 1.094 259 L CA 1.430 56.137 54.840 -0.221 0.000 0.763 259 L CB -0.487 41.413 42.059 -0.266 0.000 0.908 259 L HN 0.481 nan 8.230 nan 0.000 0.437 260 E N 0.264 120.451 120.200 -0.021 0.000 2.085 260 E HA -0.246 4.113 4.350 0.015 0.000 0.194 260 E C 2.208 178.822 176.600 0.023 0.000 0.994 260 E CA 1.347 57.748 56.400 0.002 0.000 0.801 260 E CB -0.120 29.578 29.700 -0.002 0.000 0.743 260 E HN 0.484 nan 8.360 nan 0.000 0.453 261 I N 0.457 121.048 120.570 0.035 0.000 2.179 261 I HA -0.301 3.878 4.170 0.015 0.000 0.242 261 I C 2.436 178.669 176.117 0.192 0.000 1.088 261 I CA 1.139 62.510 61.300 0.118 0.000 1.357 261 I CB -0.203 37.838 38.000 0.069 0.000 1.051 261 I HN 0.149 nan 8.210 nan 0.000 0.409 262 M N -0.189 119.447 119.600 0.061 0.000 2.086 262 M HA -0.188 4.301 4.480 0.015 0.000 0.261 262 M C 2.399 178.835 176.300 0.227 0.000 1.067 262 M CA 1.571 56.898 55.300 0.046 0.000 1.116 262 M CB -0.452 31.946 32.600 -0.336 0.000 1.348 262 M HN 0.066 nan 8.290 nan 0.000 0.407 263 V N 0.610 120.648 119.914 0.207 0.000 2.332 263 V HA -0.312 3.817 4.120 0.015 0.000 0.248 263 V C 2.354 178.506 176.094 0.097 0.000 1.055 263 V CA 2.024 64.451 62.300 0.212 0.000 1.038 263 V CB -0.762 31.135 31.823 0.123 0.000 0.651 263 V HN 0.479 nan 8.190 nan 0.000 0.450 264 K N -0.541 119.872 120.400 0.022 0.000 2.103 264 K HA -0.184 4.145 4.320 0.015 0.000 0.207 264 K C 1.693 178.122 176.600 -0.285 0.000 1.048 264 K CA 1.950 58.133 56.287 -0.173 0.000 0.930 264 K CB -0.185 32.136 32.500 -0.298 0.000 0.716 264 K HN 0.467 nan 8.250 nan 0.000 0.444 265 F N 1.039 121.018 119.950 0.048 0.000 2.727 265 F HA 0.097 4.632 4.527 0.014 0.000 0.302 265 F C 0.902 176.743 175.800 0.069 0.000 1.097 265 F CA -0.370 57.660 58.000 0.050 0.000 1.330 265 F CB 0.186 39.209 39.000 0.038 0.000 1.084 265 F HN -0.064 nan 8.300 nan 0.000 0.578 266 S N -0.463 115.358 115.700 0.202 0.000 2.600 266 S HA 0.051 4.530 4.470 0.015 0.000 0.265 266 S C 1.555 176.215 174.600 0.100 0.000 1.325 266 S CA -0.077 58.213 58.200 0.150 0.000 1.002 266 S CB 1.194 64.455 63.200 0.102 0.000 0.921 266 S HN 0.282 nan 8.310 nan 0.000 0.554 267 S N 0.138 115.886 115.700 0.079 0.000 2.423 267 S HA -0.028 4.451 4.470 0.015 0.000 0.231 267 S C 0.182 174.846 174.600 0.107 0.000 1.014 267 S CA 0.631 58.887 58.200 0.094 0.000 0.965 267 S CB -0.597 62.665 63.200 0.103 0.000 0.785 267 S HN 0.818 nan 8.310 nan 0.000 0.495 268 E N 1.272 121.522 120.200 0.085 0.000 3.108 268 E HA 0.357 4.716 4.350 0.015 0.000 0.228 268 E C -2.396 174.218 176.600 0.023 0.000 1.176 268 E CA -1.906 54.550 56.400 0.093 0.000 0.881 268 E CB 1.689 31.364 29.700 -0.041 0.000 1.354 268 E HN 0.175 nan 8.360 nan 0.000 0.400 269 P HA -0.265 nan 4.420 nan 0.000 0.216 269 P C 1.191 178.530 177.300 0.065 0.000 1.153 269 P CA 1.357 64.507 63.100 0.082 0.000 0.858 269 P CB 0.086 31.826 31.700 0.066 0.000 0.789 270 H N -0.856 118.168 119.070 -0.077 0.000 2.353 270 H HA -0.040 4.528 4.556 0.020 0.000 0.300 270 H C 1.865 177.113 175.328 -0.132 0.000 1.090 270 H CA 1.180 57.173 56.048 -0.092 0.000 1.327 270 H CB -1.518 28.189 29.762 -0.092 0.000 1.383 270 H HN 0.169 nan 8.280 nan 0.000 0.508 271 L N 0.348 121.136 121.223 -0.725 0.000 2.131 271 L HA 0.100 4.449 4.340 0.015 0.000 0.206 271 L C 3.058 179.726 176.870 -0.338 0.000 1.087 271 L CA 0.771 55.211 54.840 -0.666 0.000 0.767 271 L CB -0.511 40.878 42.059 -1.117 0.000 0.917 271 L HN 0.339 nan 8.230 nan 0.000 0.441 272 A N -0.072 122.605 122.820 -0.238 0.000 1.972 272 A HA -0.266 4.063 4.320 0.015 0.000 0.219 272 A C 2.209 179.724 177.584 -0.116 0.000 1.169 272 A CA 1.726 53.619 52.037 -0.240 0.000 0.635 272 A CB -0.460 18.349 19.000 -0.318 0.000 0.810 272 A HN 0.407 nan 8.150 nan 0.000 0.446 273 Q N 0.216 119.977 119.800 -0.065 0.000 2.135 273 Q HA -0.124 4.225 4.340 0.015 0.000 0.204 273 Q C 1.734 177.724 176.000 -0.017 0.000 0.981 273 Q CA 2.304 58.099 55.803 -0.013 0.000 0.856 273 Q CB -0.645 28.086 28.738 -0.011 0.000 0.902 273 Q HN 0.363 nan 8.270 nan 0.000 0.425 274 V N -0.588 119.295 119.914 -0.051 0.000 2.307 274 V HA -0.213 3.916 4.120 0.015 0.000 0.245 274 V C 2.305 178.397 176.094 -0.003 0.000 1.045 274 V CA 1.530 63.809 62.300 -0.035 0.000 1.024 274 V CB -0.671 31.112 31.823 -0.067 0.000 0.651 274 V HN 0.267 nan 8.190 nan 0.000 0.449 275 V N 0.625 120.539 119.914 0.000 0.000 2.287 275 V HA -0.283 3.846 4.120 0.015 0.000 0.248 275 V C 2.761 178.893 176.094 0.063 0.000 1.053 275 V CA 2.143 64.464 62.300 0.034 0.000 1.027 275 V CB -1.283 30.534 31.823 -0.010 0.000 0.646 275 V HN 0.555 nan 8.190 nan 0.000 0.447 276 A N 0.843 123.714 122.820 0.086 0.000 1.902 276 A HA -0.257 4.072 4.320 0.015 0.000 0.217 276 A C 2.212 179.803 177.584 0.012 0.000 1.181 276 A CA 1.887 53.958 52.037 0.056 0.000 0.623 276 A CB -0.520 18.531 19.000 0.084 0.000 0.818 276 A HN 0.783 nan 8.150 nan 0.000 0.443 277 E N -0.250 119.964 120.200 0.023 0.000 2.153 277 E HA -0.227 4.132 4.350 0.015 0.000 0.194 277 E C 0.921 177.545 176.600 0.040 0.000 0.988 277 E CA 1.256 57.672 56.400 0.026 0.000 0.811 277 E CB -0.465 29.246 29.700 0.018 0.000 0.746 277 E HN 0.489 nan 8.360 nan 0.000 0.466 278 D N 1.141 121.565 120.400 0.041 0.000 2.183 278 D HA -0.044 4.605 4.640 0.015 0.000 0.203 278 D C 2.152 178.503 176.300 0.085 0.000 0.969 278 D CA 0.713 54.745 54.000 0.052 0.000 0.842 278 D CB -0.051 40.774 40.800 0.040 0.000 0.957 278 D HN 0.241 nan 8.370 nan 0.000 0.484 279 L N 0.015 121.287 121.223 0.081 0.000 2.156 279 L HA -0.091 4.258 4.340 0.015 0.000 0.208 279 L C 2.277 179.274 176.870 0.213 0.000 1.095 279 L CA 0.354 55.276 54.840 0.138 0.000 0.770 279 L CB -0.203 41.842 42.059 -0.024 0.000 0.914 279 L HN 0.054 nan 8.230 nan 0.000 0.439 280 L N -0.570 120.740 121.223 0.145 0.000 2.179 280 L HA 0.071 4.420 4.340 0.015 0.000 0.208 280 L C 1.491 178.437 176.870 0.126 0.000 1.096 280 L CA 0.791 55.735 54.840 0.173 0.000 0.779 280 L CB -0.156 41.972 42.059 0.116 0.000 0.922 280 L HN 0.022 nan 8.230 nan 0.000 0.443 281 S N 0.569 116.331 115.700 0.103 0.000 2.566 281 S HA 0.078 4.557 4.470 0.015 0.000 0.280 281 S C -2.213 172.446 174.600 0.099 0.000 1.343 281 S CA -0.773 57.478 58.200 0.085 0.000 1.036 281 S CB 0.066 63.310 63.200 0.073 0.000 0.866 281 S HN 0.132 nan 8.310 nan 0.000 0.526 282 P HA 0.001 nan 4.420 nan 0.000 0.261 282 P C -0.881 176.497 177.300 0.130 0.000 1.165 282 P CA 0.378 63.532 63.100 0.089 0.000 0.759 282 P CB 0.209 31.953 31.700 0.073 0.000 0.772 283 S N 2.126 117.919 115.700 0.156 0.000 2.474 283 S HA 0.200 4.679 4.470 0.015 0.000 0.276 283 S C 0.186 174.970 174.600 0.306 0.000 1.227 283 S CA -0.641 57.723 58.200 0.274 0.000 1.050 283 S CB 0.334 63.629 63.200 0.159 0.000 0.939 283 S HN 0.138 nan 8.310 nan 0.000 0.490 284 V N 4.856 124.947 119.914 0.294 0.000 2.408 284 V HA 0.322 4.451 4.120 0.015 0.000 0.267 284 V C 0.131 176.387 176.094 0.271 0.000 1.047 284 V CA -0.290 62.125 62.300 0.192 0.000 0.937 284 V CB 1.043 32.903 31.823 0.062 0.000 0.999 284 V HN 0.634 nan 8.190 nan 0.000 0.472 285 V N 4.829 124.862 119.914 0.198 0.000 2.588 285 V HA 0.511 4.640 4.120 0.015 0.000 0.304 285 V C -0.780 175.328 176.094 0.024 0.000 1.042 285 V CA -0.585 61.802 62.300 0.144 0.000 0.877 285 V CB 2.163 33.994 31.823 0.015 0.000 0.996 285 V HN 0.907 nan 8.190 nan 0.000 0.425 286 D N 4.544 124.953 120.400 0.015 0.000 2.347 286 D HA 0.211 4.860 4.640 0.015 0.000 0.235 286 D C 0.595 176.868 176.300 -0.045 0.000 1.149 286 D CA -0.028 53.968 54.000 -0.006 0.000 0.850 286 D CB 1.797 42.620 40.800 0.038 0.000 1.061 286 D HN 0.566 nan 8.370 nan 0.000 0.487 287 V N 2.084 121.957 119.914 -0.068 0.000 3.249 287 V HA 0.533 4.662 4.120 0.015 0.000 0.338 287 V C 1.182 177.215 176.094 -0.103 0.000 1.363 287 V CA 0.579 62.827 62.300 -0.087 0.000 1.205 287 V CB -0.079 31.706 31.823 -0.063 0.000 1.164 287 V HN 0.729 nan 8.190 nan 0.000 0.458 288 G N 1.030 109.762 108.800 -0.114 0.000 4.686 288 G HA2 -0.291 3.678 3.960 0.015 0.000 0.235 288 G HA3 -0.291 3.678 3.960 0.015 0.000 0.235 288 G C 0.552 175.322 174.900 -0.217 0.000 1.589 288 G CA 0.413 45.426 45.100 -0.145 0.000 1.172 288 G HN 0.445 nan 8.290 nan 0.000 0.660 289 D N 0.682 120.873 120.400 -0.348 0.000 2.249 289 D HA 0.292 4.941 4.640 0.015 0.000 0.205 289 D C 0.565 176.379 176.300 -0.811 0.000 0.962 289 D CA 0.872 54.492 54.000 -0.634 0.000 0.860 289 D CB 0.096 40.368 40.800 -0.881 0.000 0.955 289 D HN 0.279 nan 8.370 nan 0.000 0.505 290 F N -0.276 119.535 119.950 -0.231 0.000 2.577 290 F HA 0.384 4.918 4.527 0.013 0.000 0.318 290 F C 0.365 176.065 175.800 -0.166 0.000 1.065 290 F CA -0.934 56.931 58.000 -0.224 0.000 0.929 290 F CB 1.730 40.505 39.000 -0.376 0.000 1.237 290 F HN -0.516 nan 8.300 nan 0.000 0.468 291 T N 4.217 118.828 114.554 0.096 0.000 2.758 291 T HA 0.700 5.059 4.350 0.015 0.000 0.285 291 T C -0.295 174.431 174.700 0.043 0.000 0.981 291 T CA -0.437 61.686 62.100 0.038 0.000 0.965 291 T CB 0.471 69.346 68.868 0.012 0.000 0.927 291 T HN 0.534 nan 8.240 nan 0.000 0.448 292 I N -0.527 120.064 120.570 0.035 0.000 3.067 292 I HA 0.884 5.063 4.170 0.015 0.000 0.312 292 I C -0.432 175.727 176.117 0.070 0.000 1.073 292 I CA -1.024 60.301 61.300 0.041 0.000 1.016 292 I CB 2.366 40.396 38.000 0.049 0.000 1.227 292 I HN 0.474 nan 8.210 nan 0.000 0.456 293 S N 3.237 118.982 115.700 0.075 0.000 2.498 293 S HA 0.640 5.119 4.470 0.015 0.000 0.317 293 S C -0.794 173.873 174.600 0.112 0.000 1.090 293 S CA -0.668 57.589 58.200 0.095 0.000 1.089 293 S CB 0.697 63.938 63.200 0.069 0.000 0.997 293 S HN 0.457 nan 8.310 nan 0.000 0.470 294 I N 5.742 126.405 120.570 0.155 0.000 2.382 294 I HA 0.271 4.450 4.170 0.015 0.000 0.285 294 I C 0.491 176.682 176.117 0.123 0.000 1.007 294 I CA -0.597 60.805 61.300 0.170 0.000 1.142 294 I CB 1.264 39.436 38.000 0.286 0.000 1.289 294 I HN 0.789 nan 8.210 nan 0.000 0.453 295 N N 4.203 122.960 118.700 0.095 0.000 2.412 295 N HA 0.028 4.777 4.740 0.015 0.000 0.184 295 N C 0.283 175.817 175.510 0.040 0.000 1.101 295 N CA 0.404 53.491 53.050 0.061 0.000 0.881 295 N CB 0.519 39.033 38.487 0.046 0.000 0.969 295 N HN 0.421 nan 8.380 nan 0.000 0.459 296 E N -0.767 119.469 120.200 0.060 0.000 2.423 296 E HA 0.600 4.959 4.350 0.015 0.000 0.269 296 E C 0.331 176.965 176.600 0.057 0.000 0.948 296 E CA -0.281 56.130 56.400 0.017 0.000 0.802 296 E CB 1.842 31.537 29.700 -0.007 0.000 1.339 296 E HN 0.211 nan 8.360 nan 0.000 0.445 297 G N 0.110 108.861 108.800 -0.081 0.000 2.828 297 G HA2 -0.232 3.737 3.960 0.015 0.000 0.463 297 G HA3 -0.232 3.737 3.960 0.015 0.000 0.463 297 G C -1.039 173.720 174.900 -0.234 0.000 1.394 297 G CA -0.220 44.791 45.100 -0.149 0.000 0.862 297 G HN 0.408 nan 8.290 nan 0.000 0.540 298 L N 1.873 122.916 121.223 -0.301 0.000 2.282 298 L HA 0.643 4.992 4.340 0.015 0.000 0.288 298 L C -1.718 174.796 176.870 -0.593 0.000 1.033 298 L CA -2.234 52.287 54.840 -0.532 0.000 0.807 298 L CB 1.931 43.638 42.059 -0.588 0.000 1.209 298 L HN 0.419 nan 8.230 nan 0.000 0.423 299 P HA 0.130 nan 4.420 nan 0.000 0.247 299 P C -0.733 175.994 177.300 -0.953 0.000 1.756 299 P CA -0.315 61.675 63.100 -1.851 0.000 1.117 299 P CB 0.391 30.932 31.700 -1.932 0.000 1.869 300 S N 1.832 117.239 115.700 -0.487 0.000 2.596 300 S HA 0.296 4.775 4.470 0.015 0.000 0.298 300 S C 1.669 176.360 174.600 0.153 0.000 1.255 300 S CA 1.075 59.266 58.200 -0.015 0.000 1.083 300 S CB -0.304 62.986 63.200 0.150 0.000 0.837 300 S HN 0.735 nan 8.310 nan 0.000 0.499 301 G N 1.808 110.700 108.800 0.154 0.000 2.336 301 G HA2 -0.214 3.755 3.960 0.015 0.000 0.194 301 G HA3 -0.214 3.755 3.960 0.015 0.000 0.194 301 G C 0.151 175.206 174.900 0.259 0.000 0.999 301 G CA -0.201 45.034 45.100 0.224 0.000 0.669 301 G HN 0.835 nan 8.290 nan 0.000 0.482 302 V N 2.902 122.957 119.914 0.234 0.000 2.872 302 V HA 0.485 4.614 4.120 0.015 0.000 0.307 302 V C -1.467 174.782 176.094 0.258 0.000 1.072 302 V CA -0.812 61.692 62.300 0.340 0.000 1.148 302 V CB 1.001 33.038 31.823 0.357 0.000 0.954 302 V HN 0.182 nan 8.190 nan 0.000 0.490 303 P HA 0.189 nan 4.420 nan 0.000 0.268 303 P C 0.428 177.818 177.300 0.151 0.000 1.208 303 P CA 0.118 63.318 63.100 0.167 0.000 0.777 303 P CB 0.134 31.919 31.700 0.142 0.000 0.875 304 C N -0.383 118.982 119.300 0.108 0.000 4.392 304 C HA -0.154 4.315 4.460 0.015 0.000 0.280 304 C C 2.283 177.376 174.990 0.171 0.000 1.381 304 C CA 1.267 60.328 59.018 0.071 0.000 1.871 304 C CB -3.355 24.337 27.740 -0.081 0.000 1.323 304 C HN 0.696 nan 8.230 nan 0.000 0.772 305 T N 0.320 114.991 114.554 0.195 0.000 2.624 305 T HA -0.234 4.125 4.350 0.015 0.000 0.268 305 T C 1.776 176.574 174.700 0.162 0.000 1.041 305 T CA 2.423 64.641 62.100 0.197 0.000 1.159 305 T CB -0.140 68.819 68.868 0.152 0.000 0.863 305 T HN 0.767 nan 8.240 nan 0.000 0.434 306 S N 0.773 116.547 115.700 0.123 0.000 2.355 306 S HA -0.121 4.358 4.470 0.015 0.000 0.222 306 S C 2.290 176.913 174.600 0.037 0.000 1.031 306 S CA 1.200 59.443 58.200 0.072 0.000 0.993 306 S CB -0.294 62.924 63.200 0.030 0.000 0.859 306 S HN 0.486 nan 8.310 nan 0.000 0.453 307 Q N -0.353 119.474 119.800 0.045 0.000 2.123 307 Q HA -0.039 4.310 4.340 0.015 0.000 0.199 307 Q C 1.739 177.830 176.000 0.153 0.000 0.966 307 Q CA 1.023 56.856 55.803 0.049 0.000 0.845 307 Q CB -0.299 28.441 28.738 0.003 0.000 0.907 307 Q HN 0.617 nan 8.270 nan 0.000 0.439 308 W N 1.749 123.015 121.300 -0.057 0.000 2.355 308 W HA -0.123 4.546 4.660 0.016 0.000 0.309 308 W C 1.495 178.030 176.519 0.026 0.000 1.206 308 W CA 1.349 58.663 57.345 -0.050 0.000 1.284 308 W CB -0.706 28.706 29.460 -0.081 0.000 1.145 308 W HN 0.160 nan 8.180 nan 0.000 0.502 309 N N -0.109 118.692 118.700 0.169 0.000 2.069 309 N HA -0.165 4.584 4.740 0.015 0.000 0.191 309 N C 1.882 177.489 175.510 0.162 0.000 1.031 309 N CA 2.270 55.411 53.050 0.150 0.000 0.852 309 N CB -0.795 37.768 38.487 0.126 0.000 1.018 309 N HN 0.043 nan 8.380 nan 0.000 0.423 310 S N 0.631 116.403 115.700 0.119 0.000 2.387 310 S HA 0.076 4.555 4.470 0.015 0.000 0.226 310 S C 2.113 176.814 174.600 0.168 0.000 1.026 310 S CA 0.436 58.696 58.200 0.101 0.000 0.972 310 S CB -0.008 63.241 63.200 0.082 0.000 0.814 310 S HN 0.278 nan 8.310 nan 0.000 0.477 311 I N 1.818 122.524 120.570 0.227 0.000 2.252 311 I HA -0.177 4.002 4.170 0.015 0.000 0.245 311 I C 2.697 178.921 176.117 0.179 0.000 1.102 311 I CA 1.019 62.476 61.300 0.262 0.000 1.385 311 I CB -0.469 37.650 38.000 0.199 0.000 1.064 311 I HN 0.256 nan 8.210 nan 0.000 0.414 312 A N -0.088 122.829 122.820 0.162 0.000 1.902 312 A HA -0.302 4.027 4.320 0.015 0.000 0.217 312 A C 2.201 179.854 177.584 0.114 0.000 1.181 312 A CA 1.960 54.052 52.037 0.093 0.000 0.623 312 A CB -1.154 17.858 19.000 0.021 0.000 0.818 312 A HN 0.528 nan 8.150 nan 0.000 0.443 313 H N -2.822 116.260 119.070 0.020 0.000 2.321 313 H HA -0.220 4.345 4.556 0.015 0.000 0.300 313 H C 1.953 176.964 175.328 -0.528 0.000 1.087 313 H CA 1.545 57.458 56.048 -0.225 0.000 1.319 313 H CB -0.161 29.230 29.762 -0.618 0.000 1.379 313 H HN 0.686 nan 8.280 nan 0.000 0.501 314 W N 1.567 122.505 121.300 -0.603 0.000 2.335 314 W HA -0.205 4.464 4.660 0.014 0.000 0.311 314 W C 1.946 178.389 176.519 -0.126 0.000 1.213 314 W CA 1.317 58.424 57.345 -0.397 0.000 1.274 314 W CB -0.911 28.547 29.460 -0.002 0.000 1.148 314 W HN 0.268 nan 8.180 nan 0.000 0.498 315 L N -0.077 121.192 121.223 0.076 0.000 2.012 315 L HA -0.287 4.062 4.340 0.015 0.000 0.210 315 L C 2.682 179.559 176.870 0.012 0.000 1.073 315 L CA 1.551 56.381 54.840 -0.017 0.000 0.748 315 L CB -1.138 40.886 42.059 -0.059 0.000 0.891 315 L HN -0.069 nan 8.230 nan 0.000 0.431 316 L N -1.122 120.108 121.223 0.011 0.000 2.046 316 L HA -0.202 4.147 4.340 0.015 0.000 0.208 316 L C 2.594 179.568 176.870 0.174 0.000 1.077 316 L CA 1.503 56.370 54.840 0.046 0.000 0.747 316 L CB -0.777 41.294 42.059 0.021 0.000 0.896 316 L HN 0.255 nan 8.230 nan 0.000 0.432 317 T N 0.007 114.646 114.554 0.140 0.000 2.777 317 T HA -0.121 4.238 4.350 0.015 0.000 0.266 317 T C 1.971 176.767 174.700 0.159 0.000 1.040 317 T CA 1.100 63.291 62.100 0.152 0.000 1.141 317 T CB -0.202 68.676 68.868 0.017 0.000 0.868 317 T HN 0.162 nan 8.240 nan 0.000 0.444 318 L N 0.431 121.757 121.223 0.172 0.000 2.046 318 L HA -0.136 4.213 4.340 0.015 0.000 0.208 318 L C 2.912 179.899 176.870 0.194 0.000 1.077 318 L CA 1.024 56.006 54.840 0.237 0.000 0.747 318 L CB -0.659 41.548 42.059 0.247 0.000 0.896 318 L HN 0.388 nan 8.230 nan 0.000 0.432 319 C N -0.462 118.936 119.300 0.164 0.000 2.432 319 C HA -0.175 4.294 4.460 0.015 0.000 0.277 319 C C 3.137 178.295 174.990 0.280 0.000 1.249 319 C CA 0.794 59.920 59.018 0.180 0.000 1.725 319 C CB -1.085 26.706 27.740 0.084 0.000 2.028 319 C HN 0.634 nan 8.230 nan 0.000 0.477 320 A N 0.264 123.289 122.820 0.343 0.000 1.898 320 A HA -0.078 4.251 4.320 0.015 0.000 0.216 320 A C 2.113 179.778 177.584 0.135 0.000 1.181 320 A CA 1.437 53.596 52.037 0.204 0.000 0.620 320 A CB -0.629 18.455 19.000 0.140 0.000 0.819 320 A HN 0.614 nan 8.150 nan 0.000 0.442 321 L N -0.678 120.653 121.223 0.179 0.000 2.046 321 L HA -0.166 4.183 4.340 0.015 0.000 0.208 321 L C 2.924 179.878 176.870 0.142 0.000 1.077 321 L CA 1.528 56.472 54.840 0.173 0.000 0.747 321 L CB -0.534 41.674 42.059 0.248 0.000 0.896 321 L HN 0.511 nan 8.230 nan 0.000 0.432 322 S N -0.221 115.570 115.700 0.152 0.000 2.356 322 S HA -0.209 4.270 4.470 0.015 0.000 0.223 322 S C 1.865 176.521 174.600 0.094 0.000 1.032 322 S CA 1.500 59.773 58.200 0.122 0.000 1.005 322 S CB -0.127 63.146 63.200 0.122 0.000 0.867 322 S HN 0.434 nan 8.310 nan 0.000 0.449 323 E N 0.325 120.584 120.200 0.099 0.000 2.106 323 E HA -0.094 4.265 4.350 0.015 0.000 0.192 323 E C 2.112 178.734 176.600 0.037 0.000 0.984 323 E CA 1.580 58.023 56.400 0.071 0.000 0.806 323 E CB -0.237 29.515 29.700 0.088 0.000 0.750 323 E HN 0.679 nan 8.360 nan 0.000 0.458 324 V N -0.900 119.031 119.914 0.028 0.000 3.541 324 V HA 0.022 4.151 4.120 0.015 0.000 0.267 324 V C 1.923 178.026 176.094 0.015 0.000 1.213 324 V CA 1.474 63.777 62.300 0.005 0.000 1.149 324 V CB -0.237 31.576 31.823 -0.016 0.000 0.822 324 V HN 0.238 nan 8.190 nan 0.000 0.462 325 T N -4.421 110.155 114.554 0.036 0.000 2.971 325 T HA 0.184 4.543 4.350 0.015 0.000 0.252 325 T C 0.934 175.657 174.700 0.038 0.000 1.022 325 T CA 0.461 62.583 62.100 0.037 0.000 0.980 325 T CB -0.350 68.551 68.868 0.055 0.000 1.044 325 T HN 0.408 nan 8.240 nan 0.000 0.501 326 N N 1.347 120.072 118.700 0.042 0.000 2.741 326 N HA -0.107 4.642 4.740 0.015 0.000 0.250 326 N C -0.759 174.779 175.510 0.047 0.000 1.115 326 N CA 0.520 53.594 53.050 0.041 0.000 0.724 326 N CB -1.675 36.830 38.487 0.030 0.000 1.090 326 N HN 0.553 nan 8.380 nan 0.000 0.558 327 L N 0.555 121.813 121.223 0.059 0.000 2.331 327 L HA 0.406 4.755 4.340 0.015 0.000 0.275 327 L C 1.117 178.031 176.870 0.073 0.000 1.022 327 L CA -0.747 54.131 54.840 0.064 0.000 0.812 327 L CB 1.644 43.746 42.059 0.072 0.000 1.257 327 L HN 0.104 nan 8.230 nan 0.000 0.435 328 S N 0.939 116.680 115.700 0.067 0.000 2.593 328 S HA 0.224 4.703 4.470 0.015 0.000 0.269 328 S C -1.988 172.667 174.600 0.091 0.000 1.334 328 S CA -0.984 57.257 58.200 0.069 0.000 1.015 328 S CB 0.869 64.102 63.200 0.055 0.000 0.912 328 S HN 0.411 nan 8.310 nan 0.000 0.541 329 P HA -0.093 nan 4.420 nan 0.000 0.217 329 P C 0.743 178.121 177.300 0.129 0.000 1.148 329 P CA 1.229 64.406 63.100 0.129 0.000 0.828 329 P CB -0.039 31.722 31.700 0.102 0.000 0.783 330 D N -1.228 119.227 120.400 0.092 0.000 2.117 330 D HA -0.129 4.520 4.640 0.015 0.000 0.197 330 D C 1.724 178.073 176.300 0.082 0.000 0.987 330 D CA 1.019 55.068 54.000 0.082 0.000 0.829 330 D CB -0.592 40.243 40.800 0.058 0.000 0.961 330 D HN 0.033 nan 8.370 nan 0.000 0.460 331 I N 0.776 121.393 120.570 0.079 0.000 2.252 331 I HA -0.176 4.003 4.170 0.015 0.000 0.245 331 I C 2.154 178.324 176.117 0.089 0.000 1.102 331 I CA 0.460 61.804 61.300 0.073 0.000 1.385 331 I CB -0.365 37.675 38.000 0.066 0.000 1.064 331 I HN 0.055 nan 8.210 nan 0.000 0.414 332 I N -0.035 120.607 120.570 0.120 0.000 2.163 332 I HA -0.313 3.866 4.170 0.015 0.000 0.243 332 I C 2.520 178.707 176.117 0.117 0.000 1.085 332 I CA 1.530 62.923 61.300 0.155 0.000 1.347 332 I CB -1.229 36.913 38.000 0.236 0.000 1.044 332 I HN 0.320 nan 8.210 nan 0.000 0.408 333 Q N 1.229 121.110 119.800 0.135 0.000 2.084 333 Q HA -0.096 4.253 4.340 0.015 0.000 0.202 333 Q C 2.233 178.213 176.000 -0.033 0.000 0.978 333 Q CA 2.224 58.062 55.803 0.059 0.000 0.844 333 Q CB -0.323 28.525 28.738 0.183 0.000 0.898 333 Q HN 0.455 nan 8.270 nan 0.000 0.426 334 A N 0.264 123.100 122.820 0.025 0.000 2.024 334 A HA -0.137 4.192 4.320 0.015 0.000 0.220 334 A C 1.410 179.013 177.584 0.032 0.000 1.164 334 A CA 1.640 53.691 52.037 0.022 0.000 0.643 334 A CB -0.307 18.716 19.000 0.037 0.000 0.806 334 A HN 0.472 nan 8.150 nan 0.000 0.451 335 N N -0.284 118.439 118.700 0.038 0.000 2.282 335 N HA 0.183 4.932 4.740 0.015 0.000 0.240 335 N C -0.874 174.689 175.510 0.090 0.000 1.182 335 N CA 0.216 53.331 53.050 0.107 0.000 0.874 335 N CB 0.777 39.323 38.487 0.099 0.000 1.126 335 N HN 0.277 nan 8.380 nan 0.000 0.516 336 S N 0.386 115.975 115.700 -0.185 0.000 2.618 336 S HA 0.589 5.068 4.470 0.015 0.000 0.277 336 S C -1.373 172.602 174.600 -1.041 0.000 1.138 336 S CA -0.595 57.244 58.200 -0.602 0.000 0.844 336 S CB 2.568 65.478 63.200 -0.483 0.000 1.127 336 S HN 0.116 nan 8.310 nan 0.000 0.474 337 L N 2.012 122.455 121.223 -1.300 0.000 2.438 337 L HA 0.737 5.086 4.340 0.015 0.000 0.270 337 L C -2.117 174.194 176.870 -0.932 0.000 0.972 337 L CA -0.245 53.892 54.840 -1.172 0.000 0.831 337 L CB 0.865 42.212 42.059 -1.186 0.000 1.273 337 L HN 0.544 nan 8.230 nan 0.000 0.405 338 F N 2.031 121.575 119.950 -0.677 0.000 2.492 338 F HA 0.739 5.275 4.527 0.015 0.000 0.327 338 F C 0.397 175.681 175.800 -0.859 0.000 1.079 338 F CA -0.984 56.516 58.000 -0.833 0.000 0.967 338 F CB 2.228 40.540 39.000 -1.146 0.000 1.169 338 F HN 0.361 nan 8.300 nan 0.000 0.472 339 S N 2.423 117.707 115.700 -0.695 0.000 2.707 339 S HA 0.726 5.205 4.470 0.015 0.000 0.303 339 S C -1.482 172.690 174.600 -0.714 0.000 1.132 339 S CA -0.444 57.345 58.200 -0.684 0.000 1.046 339 S CB 0.508 63.259 63.200 -0.749 0.000 1.004 339 S HN 0.292 nan 8.310 nan 0.000 0.483 340 F N 2.027 121.927 119.950 -0.084 0.000 2.551 340 F HA 0.496 5.032 4.527 0.015 0.000 0.316 340 F C -0.501 175.416 175.800 0.196 0.000 1.089 340 F CA -1.177 56.795 58.000 -0.047 0.000 0.915 340 F CB 1.214 40.027 39.000 -0.311 0.000 1.186 340 F HN 0.578 nan 8.300 nan 0.000 0.456 341 Y N 1.777 122.247 120.300 0.283 0.000 2.445 341 Y HA 0.470 5.029 4.550 0.015 0.000 0.332 341 Y C 0.613 176.510 175.900 -0.006 0.000 1.037 341 Y CA -0.051 58.105 58.100 0.094 0.000 1.296 341 Y CB 0.972 39.396 38.460 -0.060 0.000 1.099 341 Y HN 0.895 nan 8.280 nan 0.000 0.496 342 G N 4.235 113.122 108.800 0.145 0.000 2.634 342 G HA2 -0.454 3.515 3.960 0.015 0.000 0.318 342 G HA3 -0.454 3.515 3.960 0.015 0.000 0.318 342 G C 0.826 175.551 174.900 -0.291 0.000 1.207 342 G CA 0.977 46.063 45.100 -0.024 0.000 0.987 342 G HN 0.778 nan 8.290 nan 0.000 0.547 343 D N 1.596 121.698 120.400 -0.496 0.000 2.354 343 D HA 0.159 4.809 4.640 0.015 0.000 0.209 343 D C 0.334 176.640 176.300 0.011 0.000 1.015 343 D CA 0.711 54.235 54.000 -0.794 0.000 0.867 343 D CB -0.299 40.012 40.800 -0.816 0.000 0.933 343 D HN 0.357 nan 8.370 nan 0.000 0.520 344 D N 1.338 121.794 120.400 0.094 0.000 2.424 344 D HA 0.229 4.878 4.640 0.015 0.000 0.244 344 D C 0.186 176.759 176.300 0.455 0.000 1.134 344 D CA 0.405 54.530 54.000 0.208 0.000 0.881 344 D CB 0.723 41.488 40.800 -0.058 0.000 1.191 344 D HN 0.428 nan 8.370 nan 0.000 0.445 345 E N 1.099 121.579 120.200 0.467 0.000 2.366 345 E HA 0.604 4.963 4.350 0.015 0.000 0.278 345 E C -1.247 175.409 176.600 0.094 0.000 0.923 345 E CA -0.844 55.751 56.400 0.324 0.000 0.761 345 E CB 1.441 31.365 29.700 0.374 0.000 1.231 345 E HN 0.259 nan 8.360 nan 0.000 0.443 346 I N 2.208 122.624 120.570 -0.257 0.000 2.466 346 I HA 0.349 4.528 4.170 0.015 0.000 0.289 346 I C -1.044 174.863 176.117 -0.351 0.000 1.026 346 I CA -1.290 59.788 61.300 -0.369 0.000 1.078 346 I CB 2.144 39.756 38.000 -0.646 0.000 1.249 346 I HN 0.382 nan 8.210 nan 0.000 0.429 347 V N 5.030 124.687 119.914 -0.428 0.000 2.409 347 V HA 0.435 4.564 4.120 0.015 0.000 0.291 347 V C -0.097 175.875 176.094 -0.203 0.000 1.020 347 V CA -0.283 61.811 62.300 -0.343 0.000 0.848 347 V CB 1.832 33.233 31.823 -0.703 0.000 0.990 347 V HN 0.755 nan 8.190 nan 0.000 0.430 348 S N 2.906 118.553 115.700 -0.088 0.000 2.503 348 S HA 0.829 5.308 4.470 0.015 0.000 0.301 348 S C -0.270 174.151 174.600 -0.299 0.000 1.087 348 S CA -0.537 57.588 58.200 -0.124 0.000 1.042 348 S CB 2.018 65.216 63.200 -0.004 0.000 1.043 348 S HN 0.854 nan 8.310 nan 0.000 0.489 349 T N 0.390 114.880 114.554 -0.107 0.000 2.885 349 T HA 0.314 4.673 4.350 0.015 0.000 0.322 349 T C -1.074 173.773 174.700 0.244 0.000 1.387 349 T CA -0.547 61.577 62.100 0.039 0.000 1.041 349 T CB 1.383 70.327 68.868 0.127 0.000 1.287 349 T HN 0.416 nan 8.240 nan 0.000 0.491 350 D N 1.907 122.479 120.400 0.287 0.000 2.339 350 D HA 0.271 4.920 4.640 0.015 0.000 0.217 350 D C 0.448 176.914 176.300 0.278 0.000 1.050 350 D CA 0.317 54.445 54.000 0.214 0.000 0.856 350 D CB 0.240 41.113 40.800 0.122 0.000 0.922 350 D HN 0.519 nan 8.370 nan 0.000 0.518 351 I N 1.249 121.982 120.570 0.272 0.000 2.342 351 I HA 0.070 4.249 4.170 0.015 0.000 0.291 351 I C 0.590 176.783 176.117 0.127 0.000 1.010 351 I CA -0.933 60.483 61.300 0.193 0.000 1.308 351 I CB 1.087 39.169 38.000 0.137 0.000 1.400 351 I HN -0.387 nan 8.210 nan 0.000 0.488 352 K N 7.502 127.929 120.400 0.046 0.000 2.412 352 K HA 0.326 4.655 4.320 0.015 0.000 0.284 352 K C -1.213 175.288 176.600 -0.166 0.000 1.046 352 K CA 0.441 56.611 56.287 -0.194 0.000 0.999 352 K CB 0.104 32.558 32.500 -0.076 0.000 0.941 352 K HN 0.483 nan 8.250 nan 0.000 0.474 353 L N 2.716 123.782 121.223 -0.261 0.000 2.333 353 L HA 0.398 4.747 4.340 0.015 0.000 0.269 353 L C -0.310 176.473 176.870 -0.146 0.000 1.010 353 L CA -1.173 53.584 54.840 -0.138 0.000 0.818 353 L CB 1.718 43.729 42.059 -0.080 0.000 1.306 353 L HN 0.604 nan 8.230 nan 0.000 0.430 354 D N 3.270 123.612 120.400 -0.098 0.000 2.396 354 D HA 0.199 4.848 4.640 0.015 0.000 0.225 354 D C -1.640 174.600 176.300 -0.100 0.000 1.121 354 D CA -2.045 51.901 54.000 -0.090 0.000 0.853 354 D CB 1.698 42.459 40.800 -0.065 0.000 1.043 354 D HN 0.205 nan 8.370 nan 0.000 0.500 355 P HA -0.157 nan 4.420 nan 0.000 0.219 355 P C 1.081 178.312 177.300 -0.114 0.000 1.146 355 P CA 0.860 63.882 63.100 -0.131 0.000 0.808 355 P CB 0.564 32.201 31.700 -0.105 0.000 0.779 356 E N 0.859 121.007 120.200 -0.086 0.000 2.046 356 E HA -0.143 4.216 4.350 0.015 0.000 0.190 356 E C 1.975 178.528 176.600 -0.078 0.000 0.982 356 E CA 1.012 57.368 56.400 -0.074 0.000 0.800 356 E CB -0.164 29.503 29.700 -0.056 0.000 0.756 356 E HN 0.104 nan 8.360 nan 0.000 0.449 357 K N 0.173 120.527 120.400 -0.076 0.000 2.148 357 K HA -0.129 4.200 4.320 0.015 0.000 0.204 357 K C 2.199 178.742 176.600 -0.095 0.000 1.050 357 K CA 0.882 57.123 56.287 -0.075 0.000 0.942 357 K CB -0.118 32.346 32.500 -0.060 0.000 0.724 357 K HN 0.145 nan 8.250 nan 0.000 0.446 358 L N 1.228 122.387 121.223 -0.107 0.000 2.027 358 L HA -0.130 4.219 4.340 0.015 0.000 0.206 358 L C 1.986 178.777 176.870 -0.131 0.000 1.074 358 L CA 1.940 56.707 54.840 -0.122 0.000 0.745 358 L CB -0.805 41.155 42.059 -0.165 0.000 0.898 358 L HN 0.055 nan 8.230 nan 0.000 0.433 359 T N -0.033 114.441 114.554 -0.132 0.000 2.759 359 T HA -0.176 4.183 4.350 0.015 0.000 0.269 359 T C 1.820 176.464 174.700 -0.094 0.000 1.042 359 T CA 1.443 63.478 62.100 -0.108 0.000 1.140 359 T CB -0.468 68.339 68.868 -0.101 0.000 0.864 359 T HN 0.528 nan 8.240 nan 0.000 0.455 360 A N 0.984 123.743 122.820 -0.101 0.000 1.970 360 A HA 0.055 4.384 4.320 0.015 0.000 0.216 360 A C 2.158 179.653 177.584 -0.149 0.000 1.170 360 A CA 1.485 53.462 52.037 -0.101 0.000 0.645 360 A CB -0.332 18.618 19.000 -0.084 0.000 0.816 360 A HN 0.321 nan 8.150 nan 0.000 0.447 361 K N 0.395 120.677 120.400 -0.197 0.000 2.057 361 K HA 0.050 4.379 4.320 0.015 0.000 0.206 361 K C 1.662 177.944 176.600 -0.531 0.000 1.050 361 K CA 1.294 57.367 56.287 -0.358 0.000 0.935 361 K CB -0.634 31.671 32.500 -0.326 0.000 0.715 361 K HN 0.438 nan 8.250 nan 0.000 0.439 362 L N 0.541 121.588 121.223 -0.293 0.000 2.042 362 L HA -0.192 4.157 4.340 0.015 0.000 0.210 362 L C 2.298 179.121 176.870 -0.080 0.000 1.076 362 L CA 1.602 56.357 54.840 -0.141 0.000 0.749 362 L CB -0.387 41.718 42.059 0.077 0.000 0.893 362 L HN 0.152 nan 8.230 nan 0.000 0.432 363 K N -0.164 120.190 120.400 -0.078 0.000 2.097 363 K HA -0.222 4.108 4.320 0.015 0.000 0.205 363 K C 2.027 178.592 176.600 -0.058 0.000 1.050 363 K CA 1.277 57.537 56.287 -0.046 0.000 0.938 363 K CB -0.133 32.340 32.500 -0.044 0.000 0.718 363 K HN 0.323 nan 8.250 nan 0.000 0.442 364 E N 0.320 120.451 120.200 -0.115 0.000 2.160 364 E HA -0.200 4.159 4.350 0.015 0.000 0.195 364 E C 1.036 177.664 176.600 0.046 0.000 0.991 364 E CA 1.075 57.431 56.400 -0.073 0.000 0.810 364 E CB 0.062 29.683 29.700 -0.133 0.000 0.742 364 E HN 0.315 nan 8.360 nan 0.000 0.466 365 Y N -0.467 119.797 120.300 -0.060 0.000 2.578 365 Y HA 0.195 4.755 4.550 0.016 0.000 0.297 365 Y C 1.740 177.560 175.900 -0.133 0.000 1.176 365 Y CA 0.669 58.713 58.100 -0.094 0.000 1.315 365 Y CB 0.099 38.497 38.460 -0.103 0.000 1.031 365 Y HN 0.269 nan 8.280 nan 0.000 0.524 366 G N -0.217 108.598 108.800 0.025 0.000 2.157 366 G HA2 -0.260 3.709 3.960 0.015 0.000 0.248 366 G HA3 -0.260 3.709 3.960 0.015 0.000 0.248 366 G C 0.141 174.989 174.900 -0.088 0.000 0.979 366 G CA 0.085 45.153 45.100 -0.054 0.000 0.650 366 G HN 0.264 nan 8.290 nan 0.000 0.529 367 L N -0.011 121.182 121.223 -0.050 0.000 2.456 367 L HA 0.519 4.868 4.340 0.015 0.000 0.257 367 L C 0.697 177.625 176.870 0.097 0.000 1.162 367 L CA -0.399 54.428 54.840 -0.023 0.000 0.808 367 L CB 0.665 42.732 42.059 0.013 0.000 1.136 367 L HN -0.049 nan 8.230 nan 0.000 0.466 368 K N 2.168 122.697 120.400 0.216 0.000 2.762 368 K HA 0.314 4.643 4.320 0.015 0.000 0.180 368 K C -2.592 174.107 176.600 0.165 0.000 1.067 368 K CA -1.570 54.806 56.287 0.149 0.000 0.973 368 K CB 0.906 33.456 32.500 0.082 0.000 1.290 368 K HN 0.263 nan 8.250 nan 0.000 0.604 369 P HA -0.036 nan 4.420 nan 0.000 0.268 369 P C -0.059 177.125 177.300 -0.193 0.000 1.204 369 P CA 0.435 63.359 63.100 -0.293 0.000 0.768 369 P CB 0.809 32.396 31.700 -0.187 0.000 0.842 370 T N 0.159 114.568 114.554 -0.243 0.000 2.864 370 T HA 0.478 4.837 4.350 0.015 0.000 0.299 370 T C 0.090 174.732 174.700 -0.096 0.000 1.166 370 T CA -1.213 60.818 62.100 -0.114 0.000 1.007 370 T CB 1.320 70.155 68.868 -0.055 0.000 1.219 370 T HN 0.245 nan 8.240 nan 0.000 0.506 371 R N 1.396 121.867 120.500 -0.048 0.000 2.756 371 R HA 0.361 4.710 4.340 0.015 0.000 0.264 371 R C -2.168 174.126 176.300 -0.011 0.000 1.026 371 R CA -0.953 55.135 56.100 -0.019 0.000 1.121 371 R CB -0.315 29.981 30.300 -0.008 0.000 0.999 371 R HN 0.502 nan 8.270 nan 0.000 0.449 379 L N 0.203 121.365 121.223 -0.101 0.000 2.543 379 L HA 0.207 4.556 4.340 0.015 0.000 0.285 379 L C 0.252 177.079 176.870 -0.072 0.000 1.236 379 L CA -0.023 54.751 54.840 -0.110 0.000 0.871 379 L CB 0.080 41.983 42.059 -0.261 0.000 1.121 379 L HN 0.090 nan 8.230 nan 0.000 0.501 380 V N 4.936 124.846 119.914 -0.008 0.000 2.417 380 V HA 0.378 4.507 4.120 0.015 0.000 0.291 380 V C 0.199 176.342 176.094 0.081 0.000 1.024 380 V CA -0.384 61.930 62.300 0.022 0.000 0.861 380 V CB 1.736 33.580 31.823 0.034 0.000 0.985 380 V HN 0.446 nan 8.190 nan 0.000 0.436 381 I N 4.181 124.793 120.570 0.070 0.000 2.315 381 I HA 0.432 4.611 4.170 0.015 0.000 0.291 381 I C 0.353 176.567 176.117 0.162 0.000 1.006 381 I CA 0.248 61.633 61.300 0.142 0.000 1.265 381 I CB 1.634 39.682 38.000 0.079 0.000 1.387 381 I HN 0.636 nan 8.210 nan 0.000 0.475 382 S N 4.202 120.034 115.700 0.219 0.000 2.607 382 S HA 0.365 4.844 4.470 0.015 0.000 0.303 382 S C 0.389 175.162 174.600 0.289 0.000 1.086 382 S CA -0.583 57.744 58.200 0.211 0.000 0.995 382 S CB 1.634 64.932 63.200 0.163 0.000 1.084 382 S HN 0.674 nan 8.310 nan 0.000 0.507 383 E N 0.854 121.195 120.200 0.236 0.000 2.463 383 E HA 0.153 4.512 4.350 0.015 0.000 0.193 383 E C -0.913 175.835 176.600 0.246 0.000 1.041 383 E CA 0.057 56.579 56.400 0.204 0.000 0.879 383 E CB 0.377 30.146 29.700 0.114 0.000 0.997 383 E HN 0.486 nan 8.360 nan 0.000 0.478 384 D N 0.420 120.962 120.400 0.236 0.000 2.629 384 D HA 0.066 4.715 4.640 0.015 0.000 0.250 384 D C 0.124 176.431 176.300 0.011 0.000 1.126 384 D CA -0.528 53.558 54.000 0.144 0.000 0.852 384 D CB 1.888 42.748 40.800 0.101 0.000 1.335 384 D HN -0.071 nan 8.370 nan 0.000 0.518 385 L N 4.236 125.340 121.223 -0.198 0.000 2.240 385 L HA 0.231 4.580 4.340 0.015 0.000 0.211 385 L C 0.367 177.139 176.870 -0.162 0.000 1.106 385 L CA 0.716 55.260 54.840 -0.495 0.000 0.793 385 L CB -0.824 40.682 42.059 -0.921 0.000 0.927 385 L HN 0.382 nan 8.230 nan 0.000 0.446 386 N N 0.390 119.151 118.700 0.101 0.000 2.294 386 N HA 0.273 5.022 4.740 0.015 0.000 0.263 386 N C 1.134 176.623 175.510 -0.035 0.000 1.281 386 N CA 1.501 54.601 53.050 0.082 0.000 0.846 386 N CB 0.276 38.791 38.487 0.046 0.000 1.061 386 N HN 0.477 nan 8.380 nan 0.000 0.478 387 G N 1.335 110.083 108.800 -0.086 0.000 2.195 387 G HA2 -0.266 3.703 3.960 0.015 0.000 0.246 387 G HA3 -0.266 3.703 3.960 0.015 0.000 0.246 387 G C -0.094 174.749 174.900 -0.095 0.000 0.984 387 G CA 0.093 45.142 45.100 -0.085 0.000 0.633 387 G HN 0.504 nan 8.290 nan 0.000 0.525 388 L N 1.572 122.712 121.223 -0.138 0.000 2.472 388 L HA 0.656 5.005 4.340 0.015 0.000 0.260 388 L C 1.269 178.051 176.870 -0.146 0.000 1.209 388 L CA 0.905 55.664 54.840 -0.134 0.000 0.817 388 L CB 1.036 42.983 42.059 -0.187 0.000 1.106 388 L HN 0.531 nan 8.230 nan 0.000 0.479 389 T N -1.260 113.252 114.554 -0.071 0.000 2.907 389 T HA 0.743 5.102 4.350 0.015 0.000 0.292 389 T C -1.050 173.718 174.700 0.113 0.000 1.043 389 T CA -0.607 61.481 62.100 -0.020 0.000 1.003 389 T CB 1.430 70.295 68.868 -0.006 0.000 1.084 389 T HN 0.284 nan 8.240 nan 0.000 0.483 390 F N 3.404 123.311 119.950 -0.072 0.000 2.623 390 F HA 0.455 4.991 4.527 0.015 0.000 0.323 390 F C -0.226 175.575 175.800 0.002 0.000 1.158 390 F CA -1.530 56.458 58.000 -0.022 0.000 1.030 390 F CB 0.969 39.975 39.000 0.010 0.000 1.280 390 F HN 0.827 nan 8.300 nan 0.000 0.474 391 L N 6.546 127.469 121.223 -0.500 0.000 3.678 391 L HA -0.340 4.009 4.340 0.015 0.000 0.425 391 L C 0.918 177.687 176.870 -0.168 0.000 1.240 391 L CA 0.972 55.563 54.840 -0.416 0.000 0.876 391 L CB -1.365 40.398 42.059 -0.493 0.000 1.766 391 L HN 0.907 nan 8.230 nan 0.000 0.917 392 R N -1.955 118.484 120.500 -0.101 0.000 3.878 392 R HA -0.154 4.195 4.340 0.015 0.000 0.330 392 R C 0.441 176.736 176.300 -0.008 0.000 1.186 392 R CA 1.446 57.520 56.100 -0.042 0.000 0.885 392 R CB -0.769 29.505 30.300 -0.044 0.000 1.377 392 R HN 0.536 nan 8.270 nan 0.000 0.523 393 R N -0.103 120.402 120.500 0.010 0.000 2.589 393 R HA 0.336 4.685 4.340 0.015 0.000 0.293 393 R C -0.359 175.930 176.300 -0.019 0.000 0.963 393 R CA -0.468 55.650 56.100 0.030 0.000 0.905 393 R CB 1.733 32.090 30.300 0.096 0.000 1.144 393 R HN -0.118 nan 8.270 nan 0.000 0.459 394 T N 2.348 116.864 114.554 -0.065 0.000 2.744 394 T HA 0.185 4.544 4.350 0.015 0.000 0.291 394 T C 0.000 174.551 174.700 -0.249 0.000 0.957 394 T CA -0.534 61.486 62.100 -0.133 0.000 1.002 394 T CB 1.119 69.921 68.868 -0.109 0.000 0.919 394 T HN 0.147 nan 8.240 nan 0.000 0.468 395 V N 5.070 124.773 119.914 -0.351 0.000 2.508 395 V HA 0.334 4.463 4.120 0.015 0.000 0.281 395 V C 0.577 176.481 176.094 -0.317 0.000 1.041 395 V CA 0.052 62.028 62.300 -0.540 0.000 1.016 395 V CB 0.671 31.977 31.823 -0.862 0.000 0.984 395 V HN 0.998 nan 8.190 nan 0.000 0.478 396 T N 5.824 120.158 114.554 -0.367 0.000 2.909 396 T HA 0.552 4.911 4.350 0.015 0.000 0.299 396 T C -0.552 173.865 174.700 -0.471 0.000 1.073 396 T CA -0.717 61.089 62.100 -0.490 0.000 0.999 396 T CB 2.116 70.433 68.868 -0.918 0.000 1.098 396 T HN 0.644 nan 8.240 nan 0.000 0.477 397 R N 1.750 121.941 120.500 -0.516 0.000 2.686 397 R HA 0.604 4.953 4.340 0.015 0.000 0.286 397 R C -1.428 174.732 176.300 -0.233 0.000 0.969 397 R CA -0.565 55.133 56.100 -0.670 0.000 0.898 397 R CB 1.288 30.654 30.300 -1.556 0.000 1.183 397 R HN 0.899 nan 8.270 nan 0.000 0.456 398 D N 3.144 123.537 120.400 -0.013 0.000 2.758 398 D HA 0.402 5.051 4.640 0.015 0.000 0.279 398 D C -2.126 174.165 176.300 -0.016 0.000 1.111 398 D CA -1.615 52.408 54.000 0.039 0.000 1.109 398 D CB 0.592 41.513 40.800 0.203 0.000 1.428 398 D HN 0.153 nan 8.370 nan 0.000 0.586 399 P HA 0.023 nan 4.420 nan 0.000 0.219 399 P C 1.003 178.318 177.300 0.025 0.000 1.146 399 P CA 2.142 65.241 63.100 -0.002 0.000 0.808 399 P CB -0.027 31.676 31.700 0.006 0.000 0.779 400 A N -1.491 121.385 122.820 0.094 0.000 2.123 400 A HA 0.464 4.793 4.320 0.015 0.000 0.214 400 A C 1.198 178.876 177.584 0.157 0.000 1.152 400 A CA 1.238 53.353 52.037 0.130 0.000 0.728 400 A CB -0.627 18.551 19.000 0.297 0.000 0.814 400 A HN 0.350 nan 8.150 nan 0.000 0.464 401 G N -2.844 106.025 108.800 0.115 0.000 2.340 401 G HA2 0.181 4.150 3.960 0.015 0.000 0.282 401 G HA3 0.181 4.150 3.960 0.015 0.000 0.282 401 G C -1.384 173.592 174.900 0.125 0.000 1.312 401 G CA -0.698 44.469 45.100 0.112 0.000 0.942 401 G HN 0.335 nan 8.290 nan 0.000 0.495 402 W N 0.332 121.788 121.300 0.259 0.000 2.381 402 W HA 0.738 5.407 4.660 0.015 0.000 0.329 402 W C 0.269 177.043 176.519 0.423 0.000 1.157 402 W CA -0.011 57.496 57.345 0.270 0.000 1.240 402 W CB 1.219 30.821 29.460 0.237 0.000 1.199 402 W HN 0.635 nan 8.180 nan 0.000 0.579 403 F N -0.007 120.168 119.950 0.374 0.000 2.713 403 F HA 0.845 5.381 4.527 0.015 0.000 0.311 403 F C -0.358 175.595 175.800 0.255 0.000 1.141 403 F CA -2.400 55.760 58.000 0.266 0.000 0.939 403 F CB 0.705 39.723 39.000 0.030 0.000 1.325 403 F HN 0.435 nan 8.300 nan 0.000 0.453 404 G N 1.523 110.529 108.800 0.344 0.000 2.422 404 G HA2 0.553 4.522 3.960 0.015 0.000 0.317 404 G HA3 0.553 4.522 3.960 0.015 0.000 0.317 404 G C -1.555 173.406 174.900 0.102 0.000 1.210 404 G CA -1.008 44.193 45.100 0.168 0.000 0.930 404 G HN 0.641 nan 8.290 nan 0.000 0.468 405 K N 1.794 122.162 120.400 -0.053 0.000 2.248 405 K HA 0.287 4.616 4.320 0.015 0.000 0.281 405 K C -0.244 176.373 176.600 0.029 0.000 1.054 405 K CA -0.666 55.578 56.287 -0.071 0.000 0.903 405 K CB 1.986 34.305 32.500 -0.302 0.000 1.077 405 K HN 0.370 nan 8.250 nan 0.000 0.474 406 L N 3.055 124.359 121.223 0.136 0.000 2.410 406 L HA 0.068 4.417 4.340 0.015 0.000 0.273 406 L C 0.069 177.052 176.870 0.187 0.000 1.152 406 L CA 0.053 54.985 54.840 0.153 0.000 0.855 406 L CB 0.449 42.598 42.059 0.149 0.000 1.129 406 L HN 0.513 nan 8.230 nan 0.000 0.463 407 E N 2.733 122.973 120.200 0.066 0.000 2.765 407 E HA -0.143 4.216 4.350 0.015 0.000 0.256 407 E C 0.786 177.326 176.600 -0.101 0.000 0.935 407 E CA 0.885 57.279 56.400 -0.009 0.000 0.954 407 E CB 0.534 30.213 29.700 -0.035 0.000 0.908 407 E HN 0.713 nan 8.360 nan 0.000 0.500 408 Q N 2.265 121.885 119.800 -0.301 0.000 2.135 408 Q HA -0.213 4.136 4.340 0.015 0.000 0.204 408 Q C 1.878 177.823 176.000 -0.092 0.000 0.981 408 Q CA 1.772 57.286 55.803 -0.483 0.000 0.856 408 Q CB -0.155 28.078 28.738 -0.842 0.000 0.902 408 Q HN 0.774 nan 8.270 nan 0.000 0.425 409 S N 0.074 115.719 115.700 -0.092 0.000 2.399 409 S HA -0.113 4.366 4.470 0.015 0.000 0.231 409 S C 2.047 176.602 174.600 -0.075 0.000 1.022 409 S CA 1.318 59.474 58.200 -0.073 0.000 0.983 409 S CB -0.241 62.861 63.200 -0.164 0.000 0.803 409 S HN 0.142 nan 8.310 nan 0.000 0.480 410 S N 1.740 117.392 115.700 -0.079 0.000 2.423 410 S HA 0.172 4.651 4.470 0.015 0.000 0.231 410 S C 1.675 176.301 174.600 0.043 0.000 1.014 410 S CA 1.056 59.230 58.200 -0.043 0.000 0.965 410 S CB -0.452 62.731 63.200 -0.029 0.000 0.785 410 S HN 0.539 nan 8.310 nan 0.000 0.495 411 I N 0.700 121.326 120.570 0.093 0.000 2.333 411 I HA -0.064 4.115 4.170 0.015 0.000 0.246 411 I C 1.846 178.053 176.117 0.151 0.000 1.106 411 I CA 0.954 62.350 61.300 0.161 0.000 1.411 411 I CB -0.181 37.994 38.000 0.291 0.000 1.082 411 I HN 0.209 nan 8.210 nan 0.000 0.420 412 L N 0.186 121.516 121.223 0.178 0.000 2.240 412 L HA -0.070 4.279 4.340 0.015 0.000 0.211 412 L C 2.657 179.667 176.870 0.233 0.000 1.106 412 L CA 0.714 55.667 54.840 0.189 0.000 0.793 412 L CB -0.394 41.810 42.059 0.241 0.000 0.927 412 L HN 0.147 nan 8.230 nan 0.000 0.446 413 R N 0.649 121.266 120.500 0.195 0.000 2.103 413 R HA -0.245 4.104 4.340 0.015 0.000 0.242 413 R C 2.280 178.779 176.300 0.332 0.000 1.142 413 R CA 1.967 58.230 56.100 0.270 0.000 0.960 413 R CB -0.153 30.227 30.300 0.132 0.000 0.858 413 R HN 0.544 nan 8.270 nan 0.000 0.439 414 Q N -0.755 119.168 119.800 0.206 0.000 2.436 414 Q HA -0.099 4.250 4.340 0.015 0.000 0.209 414 Q C 1.204 177.250 176.000 0.077 0.000 0.965 414 Q CA 0.682 56.593 55.803 0.181 0.000 0.910 414 Q CB 0.092 28.907 28.738 0.127 0.000 0.980 414 Q HN 0.277 nan 8.270 nan 0.000 0.491 415 M N -0.458 119.119 119.600 -0.039 0.000 2.562 415 M HA 0.029 4.518 4.480 0.015 0.000 0.257 415 M C 0.301 176.235 176.300 -0.609 0.000 1.099 415 M CA 0.923 56.011 55.300 -0.353 0.000 1.099 415 M CB -0.418 31.856 32.600 -0.543 0.000 1.427 415 M HN 0.284 nan 8.290 nan 0.000 0.489 416 Y N -3.167 117.117 120.300 -0.027 0.000 2.430 416 Y HA 0.177 4.736 4.550 0.015 0.000 0.254 416 Y C 0.064 175.757 175.900 -0.345 0.000 1.088 416 Y CA -0.708 57.257 58.100 -0.226 0.000 1.267 416 Y CB 0.381 38.647 38.460 -0.324 0.000 1.204 416 Y HN 0.042 nan 8.280 nan 0.000 0.515 417 W N -0.271 121.165 121.300 0.227 0.000 2.785 417 W HA 0.591 5.260 4.660 0.016 0.000 0.333 417 W C -0.197 176.472 176.519 0.249 0.000 1.062 417 W CA -0.811 56.687 57.345 0.255 0.000 1.233 417 W CB 1.964 31.558 29.460 0.222 0.000 1.413 417 W HN -0.452 nan 8.180 nan 0.000 0.489 418 T N 2.133 117.032 114.554 0.575 0.000 2.906 418 T HA 0.577 4.936 4.350 0.015 0.000 0.295 418 T C -0.611 174.346 174.700 0.427 0.000 1.075 418 T CA -0.765 61.571 62.100 0.394 0.000 1.005 418 T CB 1.071 70.067 68.868 0.214 0.000 1.136 418 T HN 0.386 nan 8.240 nan 0.000 0.498 419 R N 0.989 121.630 120.500 0.236 0.000 2.404 419 R HA 0.694 5.043 4.340 0.015 0.000 0.291 419 R C 0.267 176.559 176.300 -0.013 0.000 1.025 419 R CA -0.530 55.632 56.100 0.103 0.000 0.991 419 R CB 1.521 31.817 30.300 -0.007 0.000 1.053 419 R HN 0.802 nan 8.270 nan 0.000 0.479 420 G N 1.979 110.777 108.800 -0.004 0.000 2.731 420 G HA2 0.408 4.377 3.960 0.015 0.000 0.309 420 G HA3 0.408 4.377 3.960 0.015 0.000 0.309 420 G C -2.837 172.111 174.900 0.080 0.000 1.273 420 G CA -0.809 44.178 45.100 -0.187 0.000 0.798 420 G HN 0.329 nan 8.290 nan 0.000 0.509 421 P HA 0.165 nan 4.420 nan 0.000 0.270 421 P C -0.501 177.023 177.300 0.372 0.000 1.223 421 P CA -0.477 62.745 63.100 0.203 0.000 0.785 421 P CB 0.394 32.194 31.700 0.167 0.000 0.923 422 N N 1.169 120.002 118.700 0.222 0.000 2.412 422 N HA 0.020 4.769 4.740 0.015 0.000 0.254 422 N C 0.279 175.935 175.510 0.243 0.000 1.232 422 N CA 0.539 53.706 53.050 0.194 0.000 0.880 422 N CB -0.349 38.199 38.487 0.101 0.000 1.076 422 N HN 0.640 nan 8.380 nan 0.000 0.458 423 H N -2.220 116.796 119.070 -0.089 0.000 2.990 423 H HA 0.397 4.962 4.556 0.015 0.000 0.336 423 H C -0.186 175.015 175.328 -0.213 0.000 1.306 423 H CA -0.817 55.108 56.048 -0.206 0.000 1.118 423 H CB 1.279 30.727 29.762 -0.522 0.000 1.856 423 H HN 0.335 nan 8.280 nan 0.000 0.538 424 E N -0.411 119.607 120.200 -0.304 0.000 2.250 424 E HA -0.049 4.310 4.350 0.015 0.000 0.192 424 E C -0.322 176.034 176.600 -0.408 0.000 0.986 424 E CA 0.516 56.739 56.400 -0.295 0.000 0.849 424 E CB 0.481 30.084 29.700 -0.161 0.000 0.797 424 E HN 0.389 nan 8.360 nan 0.000 0.482 425 D N -0.078 119.961 120.400 -0.603 0.000 2.462 425 D HA 0.126 4.775 4.640 0.015 0.000 0.245 425 D C -2.131 173.849 176.300 -0.533 0.000 1.122 425 D CA -2.554 51.200 54.000 -0.410 0.000 0.864 425 D CB 1.632 42.310 40.800 -0.203 0.000 1.098 425 D HN -0.257 nan 8.370 nan 0.000 0.541 426 P HA -0.133 nan 4.420 nan 0.000 0.219 426 P C 1.252 178.716 177.300 0.274 0.000 1.146 426 P CA 1.014 64.144 63.100 0.050 0.000 0.808 426 P CB 0.224 32.056 31.700 0.220 0.000 0.779 427 S N -1.495 114.292 115.700 0.145 0.000 2.489 427 S HA -0.084 4.395 4.470 0.015 0.000 0.228 427 S C 0.931 175.620 174.600 0.149 0.000 0.995 427 S CA -0.070 58.213 58.200 0.139 0.000 0.934 427 S CB -0.950 62.304 63.200 0.090 0.000 0.771 427 S HN 0.187 nan 8.310 nan 0.000 0.522 428 E N 2.664 122.955 120.200 0.152 0.000 2.415 428 E HA 0.105 4.464 4.350 0.015 0.000 0.263 428 E C 0.037 176.892 176.600 0.425 0.000 0.995 428 E CA 0.103 56.641 56.400 0.229 0.000 0.915 428 E CB 0.501 30.304 29.700 0.172 0.000 0.951 428 E HN 0.535 nan 8.360 nan 0.000 0.449 429 T N 2.083 116.872 114.554 0.392 0.000 2.934 429 T HA 0.566 4.925 4.350 0.015 0.000 0.283 429 T C -0.005 174.936 174.700 0.401 0.000 1.005 429 T CA -0.932 61.393 62.100 0.376 0.000 1.041 429 T CB 1.304 70.283 68.868 0.185 0.000 1.042 429 T HN 0.580 nan 8.240 nan 0.000 0.505 430 M N 1.990 121.726 119.600 0.226 0.000 2.421 430 M HA 0.517 5.006 4.480 0.015 0.000 0.287 430 M C -1.863 174.418 176.300 -0.030 0.000 1.183 430 M CA -0.958 54.317 55.300 -0.043 0.000 0.916 430 M CB 1.881 34.249 32.600 -0.387 0.000 1.701 430 M HN 0.679 nan 8.290 nan 0.000 0.470 431 I N 5.197 125.719 120.570 -0.079 0.000 2.396 431 I HA 0.314 4.493 4.170 0.015 0.000 0.289 431 I C -2.016 174.063 176.117 -0.063 0.000 1.056 431 I CA -1.764 59.498 61.300 -0.064 0.000 1.365 431 I CB 0.449 38.398 38.000 -0.085 0.000 1.407 431 I HN 0.501 nan 8.210 nan 0.000 0.509 432 P HA 0.109 nan 4.420 nan 0.000 0.271 432 P C -0.700 176.621 177.300 0.036 0.000 1.218 432 P CA -0.132 62.993 63.100 0.042 0.000 0.780 432 P CB 0.302 32.026 31.700 0.040 0.000 0.901 433 H N -0.205 118.844 119.070 -0.035 0.000 2.928 433 H HA 0.161 4.726 4.556 0.016 0.000 0.338 433 H C 0.821 176.139 175.328 -0.016 0.000 1.047 433 H CA 0.474 56.504 56.048 -0.029 0.000 1.435 433 H CB 0.072 29.817 29.762 -0.029 0.000 1.428 433 H HN 0.347 nan 8.280 nan 0.000 0.590 434 S N 3.767 119.494 115.700 0.044 0.000 2.566 434 S HA 0.070 4.549 4.470 0.015 0.000 0.280 434 S C -0.111 174.517 174.600 0.047 0.000 1.343 434 S CA -0.789 57.433 58.200 0.037 0.000 1.036 434 S CB 0.780 63.998 63.200 0.031 0.000 0.866 434 S HN 0.561 nan 8.310 nan 0.000 0.526 435 Q N 1.401 121.213 119.800 0.019 0.000 2.342 435 Q HA 0.439 4.788 4.340 0.015 0.000 0.267 435 Q C -0.443 175.502 176.000 -0.092 0.000 1.038 435 Q CA -0.527 55.261 55.803 -0.025 0.000 0.832 435 Q CB 1.981 30.694 28.738 -0.042 0.000 1.323 435 Q HN 0.717 nan 8.270 nan 0.000 0.448 436 R N 1.822 122.241 120.500 -0.135 0.000 2.428 436 R HA 0.257 4.606 4.340 0.015 0.000 0.294 436 R C -1.557 174.532 176.300 -0.351 0.000 1.000 436 R CA -1.767 54.161 56.100 -0.287 0.000 0.960 436 R CB 0.533 30.735 30.300 -0.165 0.000 1.076 436 R HN 0.263 nan 8.270 nan 0.000 0.475 437 P HA -0.234 nan 4.420 nan 0.000 0.218 437 P C 1.172 178.323 177.300 -0.249 0.000 1.152 437 P CA 1.168 64.020 63.100 -0.413 0.000 0.857 437 P CB 0.094 31.520 31.700 -0.458 0.000 0.787 438 I N -0.636 119.811 120.570 -0.204 0.000 2.335 438 I HA -0.259 3.920 4.170 0.015 0.000 0.251 438 I C 1.973 178.037 176.117 -0.090 0.000 1.129 438 I CA 1.792 63.016 61.300 -0.127 0.000 1.402 438 I CB -0.531 37.422 38.000 -0.078 0.000 1.069 438 I HN -0.035 nan 8.210 nan 0.000 0.424 439 Q N -0.629 119.116 119.800 -0.092 0.000 2.389 439 Q HA 0.062 4.411 4.340 0.015 0.000 0.204 439 Q C 1.738 177.710 176.000 -0.046 0.000 0.944 439 Q CA 0.746 56.519 55.803 -0.049 0.000 0.908 439 Q CB 0.117 28.830 28.738 -0.043 0.000 1.002 439 Q HN 0.499 nan 8.270 nan 0.000 0.493 440 L N -0.442 120.728 121.223 -0.089 0.000 2.640 440 L HA 0.102 4.451 4.340 0.015 0.000 0.230 440 L C 1.785 178.608 176.870 -0.079 0.000 1.123 440 L CA -0.263 54.530 54.840 -0.078 0.000 0.900 440 L CB 0.015 42.006 42.059 -0.113 0.000 1.146 440 L HN 0.266 nan 8.230 nan 0.000 0.484 441 M N -0.430 119.096 119.600 -0.123 0.000 2.108 441 M HA -0.173 4.316 4.480 0.015 0.000 0.261 441 M C 2.370 178.665 176.300 -0.008 0.000 1.066 441 M CA 1.496 56.658 55.300 -0.230 0.000 1.107 441 M CB -0.944 31.365 32.600 -0.485 0.000 1.356 441 M HN 0.174 nan 8.290 nan 0.000 0.406 442 S N 1.158 116.937 115.700 0.130 0.000 2.356 442 S HA -0.130 4.349 4.470 0.015 0.000 0.223 442 S C 1.872 176.578 174.600 0.176 0.000 1.032 442 S CA 1.177 59.515 58.200 0.229 0.000 1.005 442 S CB -0.446 62.856 63.200 0.170 0.000 0.867 442 S HN 0.390 nan 8.310 nan 0.000 0.449 443 L N 1.759 123.046 121.223 0.107 0.000 2.017 443 L HA -0.009 4.340 4.340 0.015 0.000 0.208 443 L C 1.968 178.913 176.870 0.125 0.000 1.073 443 L CA 1.657 56.556 54.840 0.098 0.000 0.745 443 L CB -0.582 41.501 42.059 0.041 0.000 0.894 443 L HN 0.268 nan 8.230 nan 0.000 0.432 444 L N -0.643 120.638 121.223 0.096 0.000 2.093 444 L HA -0.095 4.254 4.340 0.015 0.000 0.208 444 L C 2.527 179.604 176.870 0.344 0.000 1.085 444 L CA 1.180 56.121 54.840 0.169 0.000 0.755 444 L CB -1.308 40.815 42.059 0.107 0.000 0.904 444 L HN 0.473 nan 8.230 nan 0.000 0.435 445 G N -0.654 108.318 108.800 0.286 0.000 2.418 445 G HA2 -0.210 3.759 3.960 0.015 0.000 0.217 445 G HA3 -0.210 3.759 3.960 0.015 0.000 0.217 445 G C 1.452 176.514 174.900 0.270 0.000 1.158 445 G CA 0.315 45.617 45.100 0.336 0.000 0.771 445 G HN 0.262 nan 8.290 nan 0.000 0.545 446 E N 0.946 121.302 120.200 0.261 0.000 2.077 446 E HA -0.113 4.246 4.350 0.015 0.000 0.193 446 E C 2.904 179.751 176.600 0.411 0.000 0.989 446 E CA 1.106 57.665 56.400 0.266 0.000 0.800 446 E CB -0.462 29.381 29.700 0.237 0.000 0.746 446 E HN 0.388 nan 8.360 nan 0.000 0.452 447 A N 1.355 124.450 122.820 0.457 0.000 1.969 447 A HA 0.007 4.336 4.320 0.015 0.000 0.218 447 A C 2.392 180.403 177.584 0.711 0.000 1.169 447 A CA 1.613 54.041 52.037 0.650 0.000 0.635 447 A CB -0.387 18.826 19.000 0.354 0.000 0.810 447 A HN 0.252 nan 8.150 nan 0.000 0.445 448 A N -0.110 123.054 122.820 0.573 0.000 2.015 448 A HA 0.009 4.338 4.320 0.015 0.000 0.219 448 A C 1.996 179.824 177.584 0.406 0.000 1.163 448 A CA 1.238 53.499 52.037 0.374 0.000 0.646 448 A CB -0.568 18.491 19.000 0.098 0.000 0.806 448 A HN 0.480 nan 8.150 nan 0.000 0.448 449 L N -1.041 120.378 121.223 0.326 0.000 2.353 449 L HA -0.155 4.194 4.340 0.015 0.000 0.220 449 L C 1.936 178.947 176.870 0.235 0.000 1.133 449 L CA 0.812 55.806 54.840 0.257 0.000 0.798 449 L CB -0.596 41.516 42.059 0.087 0.000 0.922 449 L HN 0.504 nan 8.230 nan 0.000 0.445 450 H N -0.330 118.932 119.070 0.319 0.000 2.539 450 H HA 0.235 4.799 4.556 0.015 0.000 0.269 450 H C 1.147 176.609 175.328 0.223 0.000 0.980 450 H CA 0.754 56.931 56.048 0.214 0.000 1.152 450 H CB 0.603 30.403 29.762 0.063 0.000 1.407 450 H HN 0.366 nan 8.280 nan 0.000 0.564 451 G N 1.082 110.076 108.800 0.323 0.000 2.603 451 G HA2 -0.192 3.777 3.960 0.015 0.000 0.686 451 G HA3 -0.192 3.777 3.960 0.015 0.000 0.686 451 G C -1.943 173.096 174.900 0.231 0.000 1.286 451 G CA -0.403 44.811 45.100 0.190 0.000 0.871 451 G HN -0.051 nan 8.290 nan 0.000 0.568 452 P HA -0.090 nan 4.420 nan 0.000 0.215 452 P C 2.176 179.589 177.300 0.188 0.000 1.153 452 P CA 3.013 66.202 63.100 0.149 0.000 0.853 452 P CB -0.209 31.534 31.700 0.072 0.000 0.788 453 A N -0.534 122.386 122.820 0.167 0.000 1.865 453 A HA -0.206 4.123 4.320 0.015 0.000 0.217 453 A C 2.208 179.903 177.584 0.185 0.000 1.191 453 A CA 1.675 53.803 52.037 0.151 0.000 0.623 453 A CB -1.844 17.238 19.000 0.137 0.000 0.826 453 A HN 0.152 nan 8.150 nan 0.000 0.444 454 F N -1.333 118.686 119.950 0.115 0.000 2.186 454 F HA -0.108 4.428 4.527 0.015 0.000 0.299 454 F C 2.081 177.953 175.800 0.119 0.000 1.090 454 F CA 1.508 59.564 58.000 0.094 0.000 1.307 454 F CB -0.418 38.637 39.000 0.092 0.000 1.019 454 F HN 0.376 nan 8.300 nan 0.000 0.489 455 Y N -0.053 120.308 120.300 0.102 0.000 2.224 455 Y HA -0.224 4.335 4.550 0.015 0.000 0.289 455 Y C 2.825 178.668 175.900 -0.095 0.000 1.146 455 Y CA 1.836 59.939 58.100 0.005 0.000 1.182 455 Y CB -0.866 37.646 38.460 0.087 0.000 0.983 455 Y HN 0.149 nan 8.280 nan 0.000 0.524 456 S N -0.200 115.495 115.700 -0.009 0.000 2.368 456 S HA -0.235 4.244 4.470 0.015 0.000 0.225 456 S C 2.212 176.695 174.600 -0.196 0.000 1.030 456 S CA 1.644 59.790 58.200 -0.091 0.000 0.999 456 S CB -0.475 62.729 63.200 0.007 0.000 0.844 456 S HN 0.570 nan 8.310 nan 0.000 0.459 457 K N 0.237 120.504 120.400 -0.222 0.000 2.032 457 K HA -0.082 4.247 4.320 0.015 0.000 0.209 457 K C 1.934 178.325 176.600 -0.349 0.000 1.048 457 K CA 1.665 57.797 56.287 -0.258 0.000 0.927 457 K CB -0.214 32.116 32.500 -0.283 0.000 0.712 457 K HN 0.354 nan 8.250 nan 0.000 0.441 458 I N 1.180 121.436 120.570 -0.524 0.000 2.286 458 I HA -0.171 4.008 4.170 0.015 0.000 0.245 458 I C 2.213 178.093 176.117 -0.395 0.000 1.104 458 I CA 1.097 62.110 61.300 -0.477 0.000 1.397 458 I CB -1.230 36.444 38.000 -0.544 0.000 1.072 458 I HN 0.138 nan 8.210 nan 0.000 0.417 459 S N 0.860 116.263 115.700 -0.494 0.000 2.374 459 S HA -0.273 4.206 4.470 0.015 0.000 0.227 459 S C 2.027 176.475 174.600 -0.253 0.000 1.037 459 S CA 1.703 59.648 58.200 -0.424 0.000 1.024 459 S CB -0.318 62.610 63.200 -0.453 0.000 0.861 459 S HN 0.387 nan 8.310 nan 0.000 0.456 460 K N 0.845 121.116 120.400 -0.216 0.000 2.057 460 K HA 0.008 4.337 4.320 0.015 0.000 0.207 460 K C 2.017 178.534 176.600 -0.138 0.000 1.049 460 K CA 0.986 57.186 56.287 -0.146 0.000 0.931 460 K CB -0.224 32.203 32.500 -0.121 0.000 0.714 460 K HN 0.268 nan 8.250 nan 0.000 0.440 461 L N 0.039 121.161 121.223 -0.168 0.000 2.056 461 L HA -0.179 4.170 4.340 0.015 0.000 0.207 461 L C 2.286 179.064 176.870 -0.154 0.000 1.078 461 L CA 0.779 55.519 54.840 -0.166 0.000 0.749 461 L CB -0.347 41.592 42.059 -0.200 0.000 0.901 461 L HN 0.032 nan 8.230 nan 0.000 0.433 462 V N 0.208 120.025 119.914 -0.163 0.000 2.261 462 V HA -0.316 3.813 4.120 0.015 0.000 0.246 462 V C 2.337 178.376 176.094 -0.093 0.000 1.047 462 V CA 2.003 64.224 62.300 -0.132 0.000 1.015 462 V CB -0.314 31.417 31.823 -0.153 0.000 0.642 462 V HN 0.282 nan 8.190 nan 0.000 0.446 463 I N 0.207 120.721 120.570 -0.094 0.000 2.118 463 I HA -0.325 3.854 4.170 0.015 0.000 0.241 463 I C 2.675 178.768 176.117 -0.041 0.000 1.070 463 I CA 1.683 62.952 61.300 -0.051 0.000 1.327 463 I CB -0.661 37.303 38.000 -0.059 0.000 1.034 463 I HN 0.321 nan 8.210 nan 0.000 0.405 464 A N 0.390 123.172 122.820 -0.063 0.000 1.859 464 A HA -0.226 4.103 4.320 0.015 0.000 0.218 464 A C 1.247 178.801 177.584 -0.049 0.000 1.209 464 A CA 1.394 53.397 52.037 -0.057 0.000 0.639 464 A CB -0.905 18.051 19.000 -0.073 0.000 0.835 464 A HN 0.486 nan 8.150 nan 0.000 0.450 465 E N 0.184 120.345 120.200 -0.064 0.000 2.188 465 E HA 0.212 4.571 4.350 0.015 0.000 0.243 465 E C -0.500 176.088 176.600 -0.020 0.000 1.269 465 E CA 0.244 56.613 56.400 -0.053 0.000 0.979 465 E CB -0.659 29.000 29.700 -0.069 0.000 1.076 465 E HN 0.447 nan 8.360 nan 0.000 0.452 473 F N 0.052 120.020 119.950 0.031 0.000 2.440 473 F HA 0.020 4.556 4.527 0.015 0.000 0.302 473 F C -1.311 174.535 175.800 0.076 0.000 0.959 473 F CA -0.945 57.080 58.000 0.042 0.000 0.827 473 F CB -0.703 38.299 39.000 0.003 0.000 2.599 473 F HN 0.281 nan 8.300 nan 0.000 0.457 474 Y N 4.206 124.619 120.300 0.188 0.000 2.327 474 Y HA 0.707 5.266 4.550 0.015 0.000 0.336 474 Y C -0.714 175.219 175.900 0.055 0.000 1.035 474 Y CA -0.828 57.324 58.100 0.088 0.000 1.165 474 Y CB 1.021 39.518 38.460 0.062 0.000 1.181 474 Y HN 0.349 nan 8.280 nan 0.000 0.494 475 V N 9.582 129.174 119.914 -0.538 0.000 2.383 475 V HA 0.316 4.445 4.120 0.015 0.000 0.275 475 V C -1.932 173.757 176.094 -0.675 0.000 1.036 475 V CA -1.863 60.172 62.300 -0.443 0.000 0.889 475 V CB 0.871 32.546 31.823 -0.247 0.000 0.985 475 V HN 0.768 nan 8.190 nan 0.000 0.459 476 P HA 0.214 nan 4.420 nan 0.000 0.270 476 P C 0.009 177.277 177.300 -0.053 0.000 1.223 476 P CA -0.285 62.683 63.100 -0.220 0.000 0.785 476 P CB 0.543 32.201 31.700 -0.070 0.000 0.923 477 R N 1.206 121.693 120.500 -0.021 0.000 2.707 477 R HA 0.030 4.379 4.340 0.015 0.000 0.270 477 R C 1.617 177.793 176.300 -0.206 0.000 1.083 477 R CA -0.372 55.727 56.100 -0.001 0.000 1.182 477 R CB 0.120 30.433 30.300 0.021 0.000 1.084 477 R HN 0.539 nan 8.270 nan 0.000 0.528 478 Q N 1.692 121.269 119.800 -0.371 0.000 2.096 478 Q HA -0.241 4.108 4.340 0.015 0.000 0.204 478 Q C 1.015 176.828 176.000 -0.311 0.000 0.982 478 Q CA 2.140 57.500 55.803 -0.738 0.000 0.850 478 Q CB 0.196 28.687 28.738 -0.411 0.000 0.901 478 Q HN 0.567 nan 8.270 nan 0.000 0.422 479 E N 0.034 120.148 120.200 -0.143 0.000 2.028 479 E HA -0.121 4.238 4.350 0.015 0.000 0.191 479 E C -0.830 175.799 176.600 0.048 0.000 0.988 479 E CA 1.589 57.960 56.400 -0.047 0.000 0.799 479 E CB -0.988 28.688 29.700 -0.040 0.000 0.755 479 E HN 0.434 nan 8.360 nan 0.000 0.447 480 P HA -0.118 nan 4.420 nan 0.000 0.218 480 P C 1.234 178.598 177.300 0.106 0.000 1.149 480 P CA 1.017 64.169 63.100 0.086 0.000 0.817 480 P CB 0.097 31.838 31.700 0.068 0.000 0.785 481 M N -1.681 117.923 119.600 0.008 0.000 2.132 481 M HA -0.078 4.411 4.480 0.015 0.000 0.263 481 M C 1.874 178.253 176.300 0.132 0.000 1.065 481 M CA 1.651 56.970 55.300 0.032 0.000 1.122 481 M CB -1.352 31.152 32.600 -0.160 0.000 1.365 481 M HN -0.182 nan 8.290 nan 0.000 0.411 482 F N 0.442 120.336 119.950 -0.094 0.000 2.095 482 F HA -0.252 4.285 4.527 0.015 0.000 0.298 482 F C 2.158 177.871 175.800 -0.144 0.000 1.104 482 F CA 1.902 59.830 58.000 -0.120 0.000 1.232 482 F CB -0.240 38.674 39.000 -0.144 0.000 0.987 482 F HN 0.073 nan 8.300 nan 0.000 0.475 483 R N -1.327 119.288 120.500 0.192 0.000 2.115 483 R HA -0.191 4.158 4.340 0.015 0.000 0.226 483 R C 2.066 178.407 176.300 0.067 0.000 1.100 483 R CA 1.537 57.736 56.100 0.165 0.000 0.980 483 R CB -0.966 29.545 30.300 0.351 0.000 0.875 483 R HN 0.551 nan 8.270 nan 0.000 0.445 484 W N 1.265 122.533 121.300 -0.054 0.000 2.381 484 W HA -0.187 4.482 4.660 0.015 0.000 0.301 484 W C 2.069 178.500 176.519 -0.146 0.000 1.205 484 W CA 1.148 58.461 57.345 -0.053 0.000 1.285 484 W CB -0.146 29.301 29.460 -0.021 0.000 1.133 484 W HN -0.068 nan 8.180 nan 0.000 0.521 485 M N 1.020 120.563 119.600 -0.094 0.000 2.086 485 M HA -0.137 4.352 4.480 0.015 0.000 0.261 485 M C 2.004 177.932 176.300 -0.619 0.000 1.067 485 M CA 1.835 56.910 55.300 -0.375 0.000 1.116 485 M CB -0.614 31.879 32.600 -0.177 0.000 1.348 485 M HN -0.172 nan 8.290 nan 0.000 0.407 486 R N -1.161 118.818 120.500 -0.868 0.000 2.093 486 R HA 0.021 4.370 4.340 0.015 0.000 0.224 486 R C 1.197 176.917 176.300 -0.966 0.000 1.101 486 R CA 1.166 56.527 56.100 -1.233 0.000 0.979 486 R CB -0.285 28.699 30.300 -2.193 0.000 0.877 486 R HN 0.431 nan 8.270 nan 0.000 0.441 487 F N -0.738 119.055 119.950 -0.262 0.000 2.798 487 F HA 0.329 4.865 4.527 0.015 0.000 0.328 487 F C 1.005 176.693 175.800 -0.186 0.000 1.098 487 F CA -0.778 57.114 58.000 -0.179 0.000 1.172 487 F CB -0.268 38.668 39.000 -0.107 0.000 1.072 487 F HN -0.298 nan 8.300 nan 0.000 0.555 488 S N 0.000 115.586 115.700 -0.189 0.000 2.498 488 S HA 0.000 4.479 4.470 0.015 0.000 0.327 488 S CA 0.000 58.062 58.200 -0.230 0.000 1.107 488 S CB 0.000 62.819 63.200 -0.635 0.000 0.593 488 S HN 0.000 nan 8.310 nan 0.000 0.517