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 2cnh_1_A DATA FIRST_RESID 3 DATA SEQUENCE MEKEFEQIDK SGSWAAIYQD IRHEASDFPC RVAKLPKNKN RNRYRDVSPF DATA SEQUENCE DHSRIKLHQE DNDYINASLI KMEEAQRSYI LTQGPLPNTC GHFWEMVWEQ DATA SEQUENCE KSRGVVMLNR VMEKGSLKCA QYWPQKEEKE MIFEDTNLKL TLISEDIKSY DATA SEQUENCE YTVRQLELEN LTTQETREIL HFHYTTWPDF GVPESPASFL NFLFKVRESG DATA SEQUENCE SLSPEHGPVV VHCSAGIGRS GTFCLADTCL LLMDKRKDPS SVDIKKVLLE DATA SEQUENCE MRKFRMGLIQ TADQLRFSYL AVIEGAKFIM GDSSVQDQWK ELSHEDL 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 3 M HA 0.000 nan 4.480 nan 0.000 0.227 3 M C 0.000 176.474 176.300 0.291 0.000 1.140 3 M CA 0.000 55.412 55.300 0.187 0.000 0.988 3 M CB 0.000 32.664 32.600 0.107 0.000 1.302 4 E N 0.702 121.028 120.200 0.209 0.000 2.285 4 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 4 E C 1.499 178.254 176.600 0.259 0.000 0.997 4 E CA 1.413 57.961 56.400 0.247 0.000 0.845 4 E CB -0.040 29.733 29.700 0.121 0.000 0.782 4 E HN 0.354 nan 8.360 nan 0.000 0.491 5 K N 1.948 122.452 120.400 0.175 0.000 2.057 5 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 5 K C 2.020 178.691 176.600 0.118 0.000 1.050 5 K CA 1.993 58.355 56.287 0.124 0.000 0.935 5 K CB -0.205 32.345 32.500 0.085 0.000 0.715 5 K HN 0.331 nan 8.250 nan 0.000 0.439 6 E N -0.918 119.373 120.200 0.152 0.000 2.072 6 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 6 E C 1.910 178.537 176.600 0.046 0.000 0.985 6 E CA 1.084 57.546 56.400 0.103 0.000 0.801 6 E CB -0.358 29.458 29.700 0.193 0.000 0.750 6 E HN 0.350 nan 8.360 nan 0.000 0.452 7 F N 2.106 122.101 119.950 0.076 0.000 2.065 7 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 7 F C 1.928 177.753 175.800 0.042 0.000 1.112 7 F CA 2.318 60.358 58.000 0.067 0.000 1.212 7 F CB -0.195 38.920 39.000 0.193 0.000 0.975 7 F HN 0.062 nan 8.300 nan 0.000 0.476 8 E N -0.224 120.045 120.200 0.115 0.000 2.085 8 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 8 E C 2.169 178.691 176.600 -0.130 0.000 0.994 8 E CA 1.704 58.110 56.400 0.009 0.000 0.801 8 E CB -0.458 29.302 29.700 0.100 0.000 0.743 8 E HN 0.646 nan 8.360 nan 0.000 0.453 9 Q N 0.368 120.091 119.800 -0.127 0.000 2.079 9 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 9 Q C 2.366 178.198 176.000 -0.281 0.000 0.974 9 Q CA 1.027 56.733 55.803 -0.161 0.000 0.840 9 Q CB -0.086 28.579 28.738 -0.121 0.000 0.898 9 Q HN 0.366 nan 8.270 nan 0.000 0.430 10 I N 0.773 121.069 120.570 -0.456 0.000 2.252 10 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 10 I C 1.727 177.459 176.117 -0.642 0.000 1.102 10 I CA 0.924 61.776 61.300 -0.745 0.000 1.385 10 I CB -0.222 36.916 38.000 -1.437 0.000 1.064 10 I HN 0.122 nan 8.210 nan 0.000 0.414 11 D N 1.032 121.143 120.400 -0.482 0.000 2.097 11 D HA -0.208 4.432 4.640 -0.000 0.000 0.195 11 D C 2.132 178.343 176.300 -0.149 0.000 0.989 11 D CA 1.244 55.115 54.000 -0.214 0.000 0.827 11 D CB -0.083 40.534 40.800 -0.305 0.000 0.966 11 D HN 0.158 nan 8.370 nan 0.000 0.456 12 K N 0.054 120.360 120.400 -0.157 0.000 2.057 12 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 12 K C 1.874 178.415 176.600 -0.099 0.000 1.049 12 K CA 1.287 57.515 56.287 -0.097 0.000 0.931 12 K CB 0.060 32.511 32.500 -0.081 0.000 0.714 12 K HN -0.054 nan 8.250 nan 0.000 0.440 13 S N -0.601 115.011 115.700 -0.146 0.000 2.496 13 S HA 0.076 4.546 4.470 -0.000 0.000 0.224 13 S C 0.840 175.368 174.600 -0.121 0.000 0.996 13 S CA 0.660 58.781 58.200 -0.132 0.000 0.927 13 S CB 0.404 63.506 63.200 -0.163 0.000 0.774 13 S HN 0.637 nan 8.310 nan 0.000 0.524 14 G N 2.201 110.919 108.800 -0.135 0.000 2.295 14 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.287 14 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.287 14 G C 0.388 175.233 174.900 -0.091 0.000 1.055 14 G CA 0.491 45.552 45.100 -0.065 0.000 0.922 14 G HN 0.764 nan 8.290 nan 0.000 0.503 15 S N -2.215 113.343 115.700 -0.238 0.000 2.574 15 S HA 0.252 4.722 4.470 -0.000 0.000 0.242 15 S C 1.362 175.827 174.600 -0.224 0.000 0.982 15 S CA 0.269 58.343 58.200 -0.211 0.000 0.977 15 S CB -0.214 62.843 63.200 -0.237 0.000 0.814 15 S HN 0.520 nan 8.310 nan 0.000 0.464 16 W N 1.984 123.248 121.300 -0.060 0.000 2.335 16 W HA -0.044 4.616 4.660 -0.000 0.000 0.311 16 W C 2.725 179.275 176.519 0.051 0.000 1.213 16 W CA 1.116 58.441 57.345 -0.034 0.000 1.274 16 W CB -0.425 28.997 29.460 -0.065 0.000 1.148 16 W HN 0.502 nan 8.180 nan 0.000 0.498 17 A N 0.315 123.291 122.820 0.259 0.000 1.940 17 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 17 A C 2.026 179.724 177.584 0.190 0.000 1.176 17 A CA 2.374 54.550 52.037 0.232 0.000 0.631 17 A CB -1.228 17.863 19.000 0.153 0.000 0.814 17 A HN 0.226 nan 8.150 nan 0.000 0.446 18 A N -0.178 122.699 122.820 0.094 0.000 1.897 18 A HA 0.020 4.340 4.320 -0.000 0.000 0.215 18 A C 2.028 179.638 177.584 0.043 0.000 1.181 18 A CA 1.396 53.456 52.037 0.039 0.000 0.620 18 A CB -0.422 18.567 19.000 -0.018 0.000 0.821 18 A HN 0.390 nan 8.150 nan 0.000 0.443 19 I N -1.358 119.237 120.570 0.042 0.000 2.179 19 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 19 I C 2.435 178.655 176.117 0.172 0.000 1.088 19 I CA 1.674 63.008 61.300 0.058 0.000 1.357 19 I CB -1.402 36.593 38.000 -0.008 0.000 1.051 19 I HN 0.547 nan 8.210 nan 0.000 0.409 20 Y N 2.018 122.400 120.300 0.137 0.000 2.181 20 Y HA -0.312 4.238 4.550 -0.000 0.000 0.288 20 Y C 2.786 178.756 175.900 0.117 0.000 1.146 20 Y CA 2.243 60.438 58.100 0.158 0.000 1.164 20 Y CB -0.539 38.029 38.460 0.180 0.000 0.982 20 Y HN 0.191 nan 8.280 nan 0.000 0.515 21 Q N 0.552 120.350 119.800 -0.004 0.000 2.124 21 Q HA -0.170 4.169 4.340 -0.000 0.000 0.202 21 Q C 1.665 177.629 176.000 -0.060 0.000 0.977 21 Q CA 2.195 57.946 55.803 -0.087 0.000 0.850 21 Q CB -0.444 28.301 28.738 0.011 0.000 0.901 21 Q HN 0.487 nan 8.270 nan 0.000 0.429 22 D N -0.279 120.108 120.400 -0.022 0.000 2.144 22 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 22 D C 1.819 178.133 176.300 0.022 0.000 0.984 22 D CA 1.173 55.167 54.000 -0.009 0.000 0.834 22 D CB -0.068 40.724 40.800 -0.013 0.000 0.955 22 D HN 0.388 nan 8.370 nan 0.000 0.465 23 I N 0.758 121.325 120.570 -0.006 0.000 2.252 23 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 23 I C 2.511 178.602 176.117 -0.043 0.000 1.102 23 I CA 0.885 62.187 61.300 0.004 0.000 1.385 23 I CB -0.068 37.957 38.000 0.041 0.000 1.064 23 I HN -0.109 nan 8.210 nan 0.000 0.414 24 R N -0.478 119.926 120.500 -0.160 0.000 2.081 24 R HA -0.212 4.128 4.340 -0.000 0.000 0.235 24 R C 2.435 178.716 176.300 -0.032 0.000 1.131 24 R CA 1.341 57.356 56.100 -0.141 0.000 0.960 24 R CB -0.646 29.511 30.300 -0.238 0.000 0.856 24 R HN 0.476 nan 8.270 nan 0.000 0.436 25 H N 1.335 120.354 119.070 -0.086 0.000 2.357 25 H HA -0.071 4.485 4.556 -0.000 0.000 0.301 25 H C 1.055 176.354 175.328 -0.048 0.000 1.082 25 H CA 1.518 57.532 56.048 -0.056 0.000 1.342 25 H CB 0.346 30.080 29.762 -0.047 0.000 1.389 25 H HN 0.306 nan 8.280 nan 0.000 0.511 26 E N 0.391 120.659 120.200 0.112 0.000 2.435 26 E HA 0.182 4.532 4.350 -0.000 0.000 0.195 26 E C 0.749 177.342 176.600 -0.012 0.000 1.029 26 E CA 0.069 56.505 56.400 0.059 0.000 0.865 26 E CB 0.321 30.072 29.700 0.085 0.000 0.833 26 E HN 0.364 nan 8.360 nan 0.000 0.510 27 A N 1.449 124.260 122.820 -0.015 0.000 2.520 27 A HA 0.117 4.437 4.320 -0.000 0.000 0.235 27 A C 0.446 177.990 177.584 -0.067 0.000 1.065 27 A CA -0.197 51.839 52.037 -0.002 0.000 0.764 27 A CB 0.351 19.371 19.000 0.033 0.000 1.002 27 A HN 0.060 nan 8.150 nan 0.000 0.502 28 S N 0.453 116.107 115.700 -0.076 0.000 2.573 28 S HA 0.271 4.741 4.470 -0.000 0.000 0.277 28 S C -0.129 174.270 174.600 -0.335 0.000 1.346 28 S CA 0.177 58.189 58.200 -0.315 0.000 1.034 28 S CB 0.529 63.538 63.200 -0.319 0.000 0.879 28 S HN 0.727 nan 8.310 nan 0.000 0.528 29 D N 0.929 120.957 120.400 -0.620 0.000 2.389 29 D HA 0.455 5.095 4.640 -0.000 0.000 0.256 29 D C -1.422 174.507 176.300 -0.618 0.000 1.239 29 D CA -0.335 53.431 54.000 -0.391 0.000 0.925 29 D CB 0.126 40.797 40.800 -0.215 0.000 1.145 29 D HN 0.173 nan 8.370 nan 0.000 0.542 30 F N 2.916 122.560 119.950 -0.511 0.000 2.523 30 F HA 0.575 5.102 4.527 -0.000 0.000 0.329 30 F C -1.537 174.202 175.800 -0.103 0.000 1.061 30 F CA -1.994 55.743 58.000 -0.438 0.000 0.967 30 F CB 1.131 39.678 39.000 -0.756 0.000 1.218 30 F HN 0.130 nan 8.300 nan 0.000 0.480 31 P HA 0.099 nan 4.420 nan 0.000 0.272 31 P C -0.716 176.739 177.300 0.259 0.000 1.223 31 P CA -0.197 63.017 63.100 0.190 0.000 0.784 31 P CB 0.845 32.621 31.700 0.127 0.000 0.923 32 C N 2.544 121.968 119.300 0.206 0.000 2.814 32 C HA 0.271 4.731 4.460 -0.000 0.000 0.242 32 C C 2.075 177.114 174.990 0.082 0.000 1.704 32 C CA -0.392 58.732 59.018 0.177 0.000 1.608 32 C CB -1.232 26.613 27.740 0.175 0.000 2.939 32 C HN 0.660 nan 8.230 nan 0.000 0.512 33 R N 0.566 121.108 120.500 0.069 0.000 2.083 33 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 33 R C 1.959 178.243 176.300 -0.026 0.000 1.137 33 R CA 1.528 57.642 56.100 0.023 0.000 0.951 33 R CB -0.323 29.995 30.300 0.030 0.000 0.851 33 R HN 0.468 nan 8.270 nan 0.000 0.434 34 V N 1.175 121.075 119.914 -0.023 0.000 2.295 34 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 34 V C 2.513 178.405 176.094 -0.337 0.000 1.049 34 V CA 1.952 64.189 62.300 -0.104 0.000 1.024 34 V CB -0.845 30.978 31.823 -0.000 0.000 0.648 34 V HN 0.428 nan 8.190 nan 0.000 0.447 35 A N -0.616 122.013 122.820 -0.318 0.000 1.978 35 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 35 A C 2.119 179.507 177.584 -0.326 0.000 1.170 35 A CA 1.596 53.323 52.037 -0.517 0.000 0.636 35 A CB -0.328 18.644 19.000 -0.047 0.000 0.810 35 A HN 0.411 nan 8.150 nan 0.000 0.448 36 K N -0.413 119.888 120.400 -0.166 0.000 2.444 36 K HA 0.260 4.580 4.320 -0.000 0.000 0.193 36 K C 0.146 176.686 176.600 -0.100 0.000 1.024 36 K CA -0.093 56.136 56.287 -0.097 0.000 1.077 36 K CB -0.321 32.158 32.500 -0.035 0.000 0.833 36 K HN 0.479 nan 8.250 nan 0.000 0.517 37 L N 1.962 123.101 121.223 -0.141 0.000 2.485 37 L HA -0.007 4.333 4.340 -0.000 0.000 0.275 37 L C -1.178 175.639 176.870 -0.088 0.000 1.207 37 L CA -1.133 53.646 54.840 -0.102 0.000 0.855 37 L CB 0.175 42.167 42.059 -0.112 0.000 1.114 37 L HN -0.113 nan 8.230 nan 0.000 0.485 38 P HA -0.227 nan 4.420 nan 0.000 0.216 38 P C 1.125 178.404 177.300 -0.034 0.000 1.154 38 P CA 1.439 64.518 63.100 -0.034 0.000 0.865 38 P CB 0.065 31.753 31.700 -0.020 0.000 0.789 39 K N -0.743 119.636 120.400 -0.035 0.000 2.360 39 K HA -0.090 4.230 4.320 -0.000 0.000 0.201 39 K C 1.089 177.675 176.600 -0.023 0.000 1.046 39 K CA 1.607 57.881 56.287 -0.020 0.000 0.945 39 K CB -0.800 31.693 32.500 -0.013 0.000 0.750 39 K HN 0.202 nan 8.250 nan 0.000 0.464 40 N N 0.723 119.377 118.700 -0.076 0.000 2.230 40 N HA 0.031 4.771 4.740 -0.000 0.000 0.202 40 N C 1.073 176.556 175.510 -0.045 0.000 1.119 40 N CA -0.233 52.759 53.050 -0.097 0.000 0.851 40 N CB 0.354 38.601 38.487 -0.400 0.000 0.990 40 N HN 0.231 nan 8.380 nan 0.000 0.497 41 K N 1.926 122.308 120.400 -0.029 0.000 2.063 41 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 41 K C 1.148 177.760 176.600 0.019 0.000 1.048 41 K CA 1.713 57.995 56.287 -0.008 0.000 0.928 41 K CB 0.034 32.531 32.500 -0.006 0.000 0.713 41 K HN 0.258 nan 8.250 nan 0.000 0.442 42 N N 0.098 118.817 118.700 0.032 0.000 2.449 42 N HA -0.061 4.679 4.740 -0.000 0.000 0.191 42 N C 0.650 176.201 175.510 0.069 0.000 1.161 42 N CA 0.379 53.452 53.050 0.039 0.000 0.863 42 N CB 0.131 38.640 38.487 0.036 0.000 0.980 42 N HN 0.197 nan 8.380 nan 0.000 0.458 43 R N -0.691 119.877 120.500 0.114 0.000 2.362 43 R HA 0.224 4.564 4.340 -0.000 0.000 0.227 43 R C -0.488 175.912 176.300 0.167 0.000 0.905 43 R CA -0.138 56.070 56.100 0.181 0.000 1.067 43 R CB 0.133 30.626 30.300 0.321 0.000 1.078 43 R HN 0.191 nan 8.270 nan 0.000 0.516 44 N N 0.970 119.739 118.700 0.114 0.000 2.392 44 N HA 0.108 4.848 4.740 -0.000 0.000 0.283 44 N C 0.229 175.719 175.510 -0.033 0.000 1.003 44 N CA -0.170 52.926 53.050 0.076 0.000 0.892 44 N CB 2.175 40.719 38.487 0.096 0.000 1.193 44 N HN 0.030 nan 8.380 nan 0.000 0.487 45 R N 1.986 122.411 120.500 -0.125 0.000 2.073 45 R HA 0.004 4.343 4.340 -0.000 0.000 0.229 45 R C -0.381 175.607 176.300 -0.520 0.000 1.120 45 R CA 1.323 57.197 56.100 -0.377 0.000 0.967 45 R CB 0.202 30.163 30.300 -0.564 0.000 0.862 45 R HN 0.482 nan 8.270 nan 0.000 0.436 46 Y N -0.139 120.180 120.300 0.032 0.000 2.391 46 Y HA 0.239 4.789 4.550 -0.000 0.000 0.341 46 Y C 0.656 176.577 175.900 0.035 0.000 0.965 46 Y CA -1.261 56.859 58.100 0.034 0.000 1.067 46 Y CB 1.693 40.173 38.460 0.034 0.000 1.199 46 Y HN -0.012 nan 8.280 nan 0.000 0.450 47 R N 0.349 120.955 120.500 0.176 0.000 2.193 47 R HA -0.119 4.221 4.340 -0.000 0.000 0.229 47 R C 0.284 176.647 176.300 0.104 0.000 1.110 47 R CA 2.214 58.379 56.100 0.109 0.000 0.988 47 R CB -0.115 30.234 30.300 0.081 0.000 0.871 47 R HN 0.641 nan 8.270 nan 0.000 0.458 48 D N -0.074 120.401 120.400 0.124 0.000 2.368 48 D HA 0.046 4.686 4.640 -0.000 0.000 0.218 48 D C -0.475 175.872 176.300 0.078 0.000 1.112 48 D CA -0.244 53.808 54.000 0.087 0.000 0.834 48 D CB 0.474 41.316 40.800 0.069 0.000 0.953 48 D HN 0.104 nan 8.370 nan 0.000 0.505 49 V N 0.740 120.718 119.914 0.107 0.000 2.419 49 V HA 0.413 4.533 4.120 -0.000 0.000 0.287 49 V C -0.476 175.659 176.094 0.068 0.000 1.017 49 V CA -0.544 61.800 62.300 0.074 0.000 0.844 49 V CB 1.409 33.295 31.823 0.106 0.000 1.011 49 V HN 0.063 nan 8.190 nan 0.000 0.429 50 S N 6.093 121.804 115.700 0.018 0.000 2.599 50 S HA 0.720 5.190 4.470 -0.000 0.000 0.287 50 S C -2.916 171.648 174.600 -0.061 0.000 1.105 50 S CA -1.196 57.026 58.200 0.037 0.000 0.899 50 S CB 2.891 66.131 63.200 0.067 0.000 1.100 50 S HN 0.574 nan 8.310 nan 0.000 0.482 51 P HA 0.402 nan 4.420 nan 0.000 0.284 51 P C -1.044 176.253 177.300 -0.006 0.000 1.253 51 P CA -0.499 62.547 63.100 -0.089 0.000 0.800 51 P CB 0.288 31.986 31.700 -0.003 0.000 0.961 52 F N 1.381 121.325 119.950 -0.009 0.000 2.518 52 F HA 0.024 4.551 4.527 0.000 0.000 0.359 52 F C 1.915 177.663 175.800 -0.086 0.000 1.118 52 F CA 0.243 58.215 58.000 -0.047 0.000 1.287 52 F CB -0.416 38.464 39.000 -0.200 0.000 1.132 52 F HN 0.306 nan 8.300 nan 0.000 0.587 53 D N 0.560 121.079 120.400 0.198 0.000 2.123 53 D HA -0.240 4.399 4.640 -0.000 0.000 0.196 53 D C 2.039 178.387 176.300 0.079 0.000 0.992 53 D CA 2.202 56.277 54.000 0.126 0.000 0.833 53 D CB -0.459 40.414 40.800 0.122 0.000 0.954 53 D HN 0.797 nan 8.370 nan 0.000 0.455 54 H N 0.156 119.255 119.070 0.049 0.000 2.456 54 H HA 0.023 4.579 4.556 -0.000 0.000 0.296 54 H C 1.478 176.833 175.328 0.044 0.000 1.079 54 H CA 1.792 57.824 56.048 -0.026 0.000 1.322 54 H CB -0.249 29.381 29.762 -0.220 0.000 1.388 54 H HN 0.065 nan 8.280 nan 0.000 0.538 55 S N 0.307 115.828 115.700 -0.299 0.000 2.629 55 S HA 0.142 4.612 4.470 -0.000 0.000 0.236 55 S C 0.728 175.330 174.600 0.004 0.000 1.010 55 S CA -0.757 57.419 58.200 -0.039 0.000 0.981 55 S CB -0.047 63.160 63.200 0.011 0.000 0.919 55 S HN 0.634 nan 8.310 nan 0.000 0.514 56 R N 1.164 121.665 120.500 0.000 0.000 2.643 56 R HA 0.327 4.667 4.340 -0.000 0.000 0.270 56 R C -0.344 175.952 176.300 -0.008 0.000 1.061 56 R CA -0.511 55.590 56.100 0.002 0.000 1.107 56 R CB 0.176 30.507 30.300 0.053 0.000 0.999 56 R HN 0.115 nan 8.270 nan 0.000 0.460 57 I N 2.706 123.242 120.570 -0.057 0.000 2.371 57 I HA 0.129 4.299 4.170 -0.000 0.000 0.290 57 I C 0.407 176.485 176.117 -0.066 0.000 1.028 57 I CA -0.284 60.977 61.300 -0.064 0.000 1.345 57 I CB 1.139 39.069 38.000 -0.116 0.000 1.407 57 I HN 0.651 nan 8.210 nan 0.000 0.501 58 K N 6.752 127.149 120.400 -0.005 0.000 2.183 58 K HA 0.517 4.837 4.320 -0.000 0.000 0.274 58 K C -0.546 176.078 176.600 0.040 0.000 1.009 58 K CA -0.690 55.613 56.287 0.027 0.000 0.888 58 K CB 1.686 34.233 32.500 0.078 0.000 1.078 58 K HN 0.415 nan 8.250 nan 0.000 0.459 59 L N 2.989 124.210 121.223 -0.003 0.000 2.417 59 L HA 0.161 4.501 4.340 -0.000 0.000 0.268 59 L C 0.475 177.435 176.870 0.150 0.000 1.158 59 L CA -0.370 54.459 54.840 -0.018 0.000 0.819 59 L CB 0.326 42.337 42.059 -0.081 0.000 1.112 59 L HN 0.571 nan 8.230 nan 0.000 0.458 60 H N 3.009 122.081 119.070 0.003 0.000 2.923 60 H HA 0.179 4.735 4.556 -0.000 0.000 0.251 60 H C -0.613 174.725 175.328 0.017 0.000 1.741 60 H CA -0.486 55.573 56.048 0.017 0.000 1.387 60 H CB 0.057 29.842 29.762 0.038 0.000 1.740 60 H HN 0.479 nan 8.280 nan 0.000 0.544 61 Q N 0.677 120.547 119.800 0.116 0.000 2.352 61 Q HA 0.172 4.512 4.340 -0.000 0.000 0.270 61 Q C -0.134 175.892 176.000 0.043 0.000 1.006 61 Q CA -0.951 54.892 55.803 0.067 0.000 0.880 61 Q CB 1.533 30.301 28.738 0.050 0.000 1.392 61 Q HN 0.167 nan 8.270 nan 0.000 0.401 62 E N 1.859 122.080 120.200 0.035 0.000 2.051 62 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 62 E C 0.772 177.386 176.600 0.023 0.000 0.991 62 E CA 1.935 58.350 56.400 0.025 0.000 0.799 62 E CB -0.017 29.696 29.700 0.021 0.000 0.748 62 E HN 0.884 nan 8.360 nan 0.000 0.449 63 D N 1.062 121.477 120.400 0.025 0.000 2.240 63 D HA -0.163 4.477 4.640 -0.000 0.000 0.204 63 D C 0.425 176.737 176.300 0.019 0.000 1.018 63 D CA 1.293 55.307 54.000 0.023 0.000 0.887 63 D CB 0.069 40.886 40.800 0.029 0.000 1.087 63 D HN -0.038 nan 8.370 nan 0.000 0.464 64 N N -0.687 118.019 118.700 0.010 0.000 2.480 64 N HA 0.126 4.866 4.740 -0.000 0.000 0.289 64 N C -1.395 174.104 175.510 -0.019 0.000 1.073 64 N CA -0.448 52.605 53.050 0.006 0.000 0.885 64 N CB 1.522 40.011 38.487 0.004 0.000 1.421 64 N HN 0.164 nan 8.380 nan 0.000 0.503 65 D N 1.912 122.323 120.400 0.018 0.000 2.325 65 D HA -0.029 4.611 4.640 -0.000 0.000 0.225 65 D C -0.097 176.203 176.300 0.001 0.000 1.096 65 D CA -0.040 53.965 54.000 0.008 0.000 0.844 65 D CB -0.519 40.307 40.800 0.044 0.000 0.925 65 D HN 0.386 nan 8.370 nan 0.000 0.513 66 Y N 0.892 121.128 120.300 -0.106 0.000 2.316 66 Y HA 0.490 5.040 4.550 -0.000 0.000 0.331 66 Y C -0.620 175.202 175.900 -0.130 0.000 1.083 66 Y CA -1.003 57.041 58.100 -0.094 0.000 1.206 66 Y CB 0.626 39.049 38.460 -0.062 0.000 1.195 66 Y HN 0.010 nan 8.280 nan 0.000 0.497 67 I N 5.992 125.888 120.570 -1.123 0.000 2.752 67 I HA 0.260 4.430 4.170 -0.000 0.000 0.295 67 I C -1.318 174.160 176.117 -1.064 0.000 1.219 67 I CA -0.868 59.915 61.300 -0.861 0.000 1.030 67 I CB 1.675 39.435 38.000 -0.400 0.000 1.259 67 I HN 0.648 nan 8.210 nan 0.000 0.423 68 N N 6.295 124.616 118.700 -0.632 0.000 2.605 68 N HA 0.483 5.223 4.740 -0.000 0.000 0.258 68 N C -1.206 174.184 175.510 -0.201 0.000 1.156 68 N CA 0.264 53.143 53.050 -0.286 0.000 1.008 68 N CB 0.297 38.758 38.487 -0.043 0.000 1.354 68 N HN 0.668 nan 8.380 nan 0.000 0.509 69 A N 1.533 124.226 122.820 -0.211 0.000 2.589 69 A HA 0.649 4.969 4.320 -0.000 0.000 0.296 69 A C -1.048 176.470 177.584 -0.109 0.000 1.062 69 A CA -0.639 51.308 52.037 -0.150 0.000 0.686 69 A CB 1.206 20.094 19.000 -0.187 0.000 1.282 69 A HN 0.340 nan 8.150 nan 0.000 0.404 70 S N 0.462 116.120 115.700 -0.069 0.000 2.536 70 S HA 0.616 5.086 4.470 -0.000 0.000 0.287 70 S C -1.029 173.570 174.600 -0.001 0.000 1.101 70 S CA -0.505 57.678 58.200 -0.029 0.000 0.950 70 S CB 1.570 64.756 63.200 -0.024 0.000 1.056 70 S HN 1.076 nan 8.310 nan 0.000 0.481 71 L N 3.332 124.567 121.223 0.019 0.000 2.260 71 L HA 0.568 4.907 4.340 -0.000 0.000 0.289 71 L C -1.418 175.421 176.870 -0.051 0.000 1.057 71 L CA -0.207 54.628 54.840 -0.008 0.000 0.811 71 L CB 0.041 42.091 42.059 -0.014 0.000 1.184 71 L HN 0.524 nan 8.230 nan 0.000 0.429 72 I N 5.760 126.273 120.570 -0.094 0.000 2.306 72 I HA 0.334 4.504 4.170 -0.000 0.000 0.288 72 I C 0.021 175.896 176.117 -0.404 0.000 1.036 72 I CA -0.041 61.088 61.300 -0.286 0.000 1.221 72 I CB 0.872 38.896 38.000 0.040 0.000 1.385 72 I HN 0.510 nan 8.210 nan 0.000 0.472 73 K N 7.094 126.971 120.400 -0.872 0.000 2.316 73 K HA 0.468 4.788 4.320 -0.000 0.000 0.267 73 K C -0.931 175.442 176.600 -0.379 0.000 1.025 73 K CA -0.626 55.372 56.287 -0.481 0.000 0.896 73 K CB 0.649 32.949 32.500 -0.333 0.000 1.124 73 K HN 0.361 nan 8.250 nan 0.000 0.451 74 M N 4.512 124.018 119.600 -0.157 0.000 2.206 74 M HA 0.116 4.596 4.480 -0.000 0.000 0.353 74 M C 0.761 177.051 176.300 -0.016 0.000 1.242 74 M CA -0.105 55.181 55.300 -0.023 0.000 1.179 74 M CB 0.719 33.358 32.600 0.065 0.000 1.374 74 M HN 0.623 nan 8.290 nan 0.000 0.427 75 E N 1.729 121.937 120.200 0.014 0.000 2.021 75 E HA -0.246 4.104 4.350 -0.000 0.000 0.200 75 E C 1.408 178.016 176.600 0.014 0.000 1.015 75 E CA 1.611 58.021 56.400 0.017 0.000 0.824 75 E CB 0.079 29.808 29.700 0.048 0.000 0.762 75 E HN 0.690 nan 8.360 nan 0.000 0.454 76 E N 0.267 120.486 120.200 0.032 0.000 2.051 76 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 76 E C 1.926 178.535 176.600 0.015 0.000 0.991 76 E CA 1.011 57.426 56.400 0.025 0.000 0.799 76 E CB -0.045 29.677 29.700 0.036 0.000 0.748 76 E HN 0.190 nan 8.360 nan 0.000 0.449 77 A N 0.191 123.022 122.820 0.019 0.000 2.121 77 A HA -0.136 4.183 4.320 -0.000 0.000 0.218 77 A C 0.831 178.402 177.584 -0.020 0.000 1.154 77 A CA 1.025 53.069 52.037 0.011 0.000 0.679 77 A CB -0.196 18.824 19.000 0.034 0.000 0.795 77 A HN 0.447 nan 8.150 nan 0.000 0.458 78 Q N -2.131 117.649 119.800 -0.033 0.000 2.478 78 Q HA -0.199 4.141 4.340 -0.000 0.000 0.286 78 Q C -0.032 175.904 176.000 -0.108 0.000 1.299 78 Q CA 1.130 56.898 55.803 -0.059 0.000 0.826 78 Q CB -1.379 27.331 28.738 -0.046 0.000 1.199 78 Q HN 0.781 nan 8.270 nan 0.000 0.451 79 R N -0.317 120.093 120.500 -0.150 0.000 2.651 79 R HA 0.659 4.999 4.340 -0.000 0.000 0.278 79 R C -1.372 174.698 176.300 -0.382 0.000 1.010 79 R CA -0.382 55.542 56.100 -0.293 0.000 0.896 79 R CB 1.931 32.006 30.300 -0.375 0.000 1.211 79 R HN 0.048 nan 8.270 nan 0.000 0.456 80 S N 1.945 117.378 115.700 -0.445 0.000 2.532 80 S HA 0.639 5.109 4.470 -0.000 0.000 0.301 80 S C -1.687 172.630 174.600 -0.472 0.000 1.083 80 S CA -0.470 57.517 58.200 -0.356 0.000 1.025 80 S CB 1.038 64.117 63.200 -0.202 0.000 1.056 80 S HN 0.433 nan 8.310 nan 0.000 0.494 81 Y N 0.391 120.649 120.300 -0.070 0.000 2.524 81 Y HA 0.582 5.132 4.550 -0.000 0.000 0.347 81 Y C -0.337 175.531 175.900 -0.052 0.000 1.005 81 Y CA -0.916 57.166 58.100 -0.030 0.000 1.025 81 Y CB 1.059 39.531 38.460 0.019 0.000 1.275 81 Y HN 0.438 nan 8.280 nan 0.000 0.460 82 I N 3.713 124.348 120.570 0.108 0.000 2.339 82 I HA 0.290 4.460 4.170 -0.000 0.000 0.290 82 I C -1.270 174.864 176.117 0.027 0.000 0.994 82 I CA -0.645 60.666 61.300 0.017 0.000 1.191 82 I CB 1.067 39.028 38.000 -0.066 0.000 1.343 82 I HN 0.321 nan 8.210 nan 0.000 0.458 83 L N 6.259 127.491 121.223 0.015 0.000 2.296 83 L HA 0.590 4.930 4.340 -0.000 0.000 0.286 83 L C 0.092 176.950 176.870 -0.021 0.000 1.023 83 L CA 0.124 54.968 54.840 0.006 0.000 0.812 83 L CB 1.764 43.825 42.059 0.002 0.000 1.223 83 L HN 0.498 nan 8.230 nan 0.000 0.421 84 T N 1.781 116.336 114.554 0.000 0.000 2.864 84 T HA 0.464 4.814 4.350 -0.000 0.000 0.299 84 T C -0.923 173.783 174.700 0.011 0.000 1.166 84 T CA -0.671 61.416 62.100 -0.023 0.000 1.007 84 T CB 1.350 70.180 68.868 -0.063 0.000 1.219 84 T HN 0.657 nan 8.240 nan 0.000 0.506 85 Q N 1.269 121.055 119.800 -0.023 0.000 2.396 85 Q HA 0.544 4.884 4.340 -0.000 0.000 0.221 85 Q C 0.555 176.490 176.000 -0.108 0.000 1.025 85 Q CA -0.764 55.035 55.803 -0.008 0.000 0.946 85 Q CB 0.113 28.846 28.738 -0.008 0.000 1.224 85 Q HN 0.748 nan 8.270 nan 0.000 0.539 86 G N 1.883 110.641 108.800 -0.070 0.000 2.334 86 G HA2 0.294 4.254 3.960 -0.000 0.000 0.261 86 G HA3 0.294 4.254 3.960 -0.000 0.000 0.261 86 G C -2.360 172.369 174.900 -0.285 0.000 1.257 86 G CA -1.000 43.966 45.100 -0.223 0.000 0.935 86 G HN 0.466 nan 8.290 nan 0.000 0.480 87 P HA 0.016 nan 4.420 nan 0.000 0.264 87 P C 0.122 177.312 177.300 -0.183 0.000 1.179 87 P CA 0.160 63.039 63.100 -0.368 0.000 0.763 87 P CB 0.628 31.938 31.700 -0.650 0.000 0.806 88 L N 5.630 126.778 121.223 -0.124 0.000 2.431 88 L HA 0.315 4.655 4.340 -0.000 0.000 0.260 88 L C -1.190 175.650 176.870 -0.050 0.000 1.098 88 L CA -1.952 52.841 54.840 -0.077 0.000 0.800 88 L CB 0.572 42.594 42.059 -0.061 0.000 1.210 88 L HN 0.280 nan 8.230 nan 0.000 0.465 89 P HA -0.156 nan 4.420 nan 0.000 0.216 89 P C 0.587 177.882 177.300 -0.009 0.000 1.150 89 P CA 1.249 64.345 63.100 -0.007 0.000 0.843 89 P CB 0.012 31.706 31.700 -0.010 0.000 0.787 90 N N -1.866 116.817 118.700 -0.028 0.000 2.336 90 N HA -0.009 4.730 4.740 -0.000 0.000 0.189 90 N C 0.721 176.127 175.510 -0.173 0.000 1.113 90 N CA 0.998 54.016 53.050 -0.053 0.000 0.858 90 N CB -0.857 37.626 38.487 -0.007 0.000 0.970 90 N HN 0.172 nan 8.380 nan 0.000 0.471 91 T N -4.133 110.329 114.554 -0.153 0.000 3.132 91 T HA 0.235 4.585 4.350 -0.000 0.000 0.274 91 T C 1.485 176.060 174.700 -0.209 0.000 1.011 91 T CA -0.311 61.647 62.100 -0.237 0.000 0.899 91 T CB -0.870 68.010 68.868 0.020 0.000 1.089 91 T HN 0.098 nan 8.240 nan 0.000 0.543 92 C N 1.515 120.732 119.300 -0.138 0.000 2.440 92 C HA 0.179 4.639 4.460 -0.000 0.000 0.278 92 C C 3.054 177.891 174.990 -0.254 0.000 1.295 92 C CA 0.890 59.847 59.018 -0.103 0.000 1.738 92 C CB -1.304 26.553 27.740 0.194 0.000 1.987 92 C HN 0.777 nan 8.230 nan 0.000 0.492 93 G N -0.510 108.175 108.800 -0.191 0.000 2.402 93 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 93 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 93 G C 1.125 175.981 174.900 -0.073 0.000 1.162 93 G CA 0.821 45.820 45.100 -0.168 0.000 0.777 93 G HN 0.737 nan 8.290 nan 0.000 0.539 94 H N -1.234 117.812 119.070 -0.040 0.000 2.387 94 H HA -0.033 4.523 4.556 -0.000 0.000 0.299 94 H C 2.210 177.456 175.328 -0.135 0.000 1.090 94 H CA 0.992 56.998 56.048 -0.070 0.000 1.332 94 H CB -0.132 29.587 29.762 -0.072 0.000 1.386 94 H HN 0.365 nan 8.280 nan 0.000 0.516 95 F N 0.501 120.303 119.950 -0.247 0.000 2.069 95 F HA -0.256 4.271 4.527 -0.000 0.000 0.298 95 F C 1.594 177.092 175.800 -0.503 0.000 1.113 95 F CA 1.501 59.209 58.000 -0.486 0.000 1.214 95 F CB -0.438 38.096 39.000 -0.777 0.000 0.978 95 F HN 0.110 nan 8.300 nan 0.000 0.474 96 W N 0.794 122.060 121.300 -0.056 0.000 2.467 96 W HA -0.064 4.596 4.660 -0.000 0.000 0.275 96 W C 2.531 179.008 176.519 -0.069 0.000 1.239 96 W CA 1.046 58.336 57.345 -0.090 0.000 1.266 96 W CB -0.475 28.878 29.460 -0.178 0.000 1.112 96 W HN 0.157 nan 8.180 nan 0.000 0.576 97 E N 0.822 121.080 120.200 0.096 0.000 2.110 97 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 97 E C 2.121 178.724 176.600 0.005 0.000 0.988 97 E CA 1.552 58.001 56.400 0.082 0.000 0.804 97 E CB -0.322 29.410 29.700 0.053 0.000 0.745 97 E HN 0.324 nan 8.360 nan 0.000 0.458 98 M N 0.328 119.845 119.600 -0.139 0.000 2.086 98 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 98 M C 2.085 178.253 176.300 -0.219 0.000 1.067 98 M CA 1.350 56.509 55.300 -0.236 0.000 1.116 98 M CB 0.027 32.414 32.600 -0.355 0.000 1.348 98 M HN 0.066 nan 8.290 nan 0.000 0.407 99 V N 0.137 119.896 119.914 -0.258 0.000 2.332 99 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 99 V C 2.148 178.251 176.094 0.015 0.000 1.055 99 V CA 2.218 64.431 62.300 -0.145 0.000 1.038 99 V CB -1.073 30.726 31.823 -0.040 0.000 0.651 99 V HN 0.765 nan 8.190 nan 0.000 0.450 100 W N 1.162 122.450 121.300 -0.020 0.000 2.380 100 W HA -0.156 4.504 4.660 -0.000 0.000 0.317 100 W C 2.386 178.874 176.519 -0.051 0.000 1.196 100 W CA 2.032 59.377 57.345 -0.000 0.000 1.307 100 W CB -0.270 29.206 29.460 0.026 0.000 1.157 100 W HN 0.348 nan 8.180 nan 0.000 0.483 101 E N -0.264 119.997 120.200 0.102 0.000 2.110 101 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 101 E C 1.945 178.460 176.600 -0.142 0.000 0.988 101 E CA 1.171 57.523 56.400 -0.080 0.000 0.804 101 E CB -0.235 29.217 29.700 -0.413 0.000 0.745 101 E HN 0.223 nan 8.360 nan 0.000 0.458 102 Q N 0.170 119.880 119.800 -0.150 0.000 2.403 102 Q HA 0.045 4.385 4.340 -0.000 0.000 0.203 102 Q C -0.056 175.874 176.000 -0.117 0.000 0.932 102 Q CA 0.236 55.967 55.803 -0.120 0.000 0.945 102 Q CB 0.394 29.054 28.738 -0.130 0.000 1.045 102 Q HN 0.217 nan 8.270 nan 0.000 0.511 103 K N 0.415 120.712 120.400 -0.172 0.000 3.129 103 K HA -0.105 4.215 4.320 -0.000 0.000 0.273 103 K C -0.566 175.960 176.600 -0.123 0.000 1.123 103 K CA 0.331 56.502 56.287 -0.194 0.000 0.800 103 K CB -1.969 30.446 32.500 -0.143 0.000 1.238 103 K HN 0.080 nan 8.250 nan 0.000 0.492 104 S N 0.324 115.956 115.700 -0.112 0.000 2.562 104 S HA 0.170 4.640 4.470 -0.000 0.000 0.281 104 S C 1.248 175.794 174.600 -0.091 0.000 1.333 104 S CA -0.392 57.761 58.200 -0.077 0.000 1.052 104 S CB 1.641 64.796 63.200 -0.075 0.000 0.884 104 S HN 0.444 nan 8.310 nan 0.000 0.506 105 R N 1.852 122.271 120.500 -0.135 0.000 2.250 105 R HA 0.287 4.627 4.340 -0.000 0.000 0.194 105 R C 0.609 176.887 176.300 -0.037 0.000 0.927 105 R CA 0.664 56.627 56.100 -0.228 0.000 1.052 105 R CB -0.079 29.782 30.300 -0.732 0.000 1.055 105 R HN 0.669 nan 8.270 nan 0.000 0.537 106 G N -0.542 108.290 108.800 0.053 0.000 2.574 106 G HA2 0.593 4.553 3.960 -0.000 0.000 0.299 106 G HA3 0.593 4.553 3.960 -0.000 0.000 0.299 106 G C -1.761 173.265 174.900 0.209 0.000 1.298 106 G CA -0.513 44.711 45.100 0.208 0.000 0.952 106 G HN -0.003 nan 8.290 nan 0.000 0.477 107 V N 0.774 120.863 119.914 0.291 0.000 2.577 107 V HA 0.464 4.584 4.120 -0.000 0.000 0.303 107 V C -0.494 175.725 176.094 0.209 0.000 1.042 107 V CA -0.665 61.801 62.300 0.276 0.000 0.872 107 V CB 1.799 33.899 31.823 0.462 0.000 0.998 107 V HN 0.578 nan 8.190 nan 0.000 0.423 108 V N 6.144 126.103 119.914 0.074 0.000 2.347 108 V HA 0.494 4.614 4.120 -0.000 0.000 0.280 108 V C -0.063 175.886 176.094 -0.242 0.000 1.021 108 V CA -0.316 61.945 62.300 -0.066 0.000 0.847 108 V CB 1.505 33.130 31.823 -0.329 0.000 0.990 108 V HN 0.901 nan 8.190 nan 0.000 0.444 109 M N 5.864 125.282 119.600 -0.303 0.000 2.167 109 M HA 0.511 4.991 4.480 -0.000 0.000 0.333 109 M C -0.475 175.673 176.300 -0.253 0.000 1.030 109 M CA -0.400 54.569 55.300 -0.552 0.000 0.963 109 M CB 1.233 33.511 32.600 -0.537 0.000 1.589 109 M HN 0.575 nan 8.290 nan 0.000 0.431 110 L N 4.453 125.472 121.223 -0.340 0.000 2.808 110 L HA 0.282 4.622 4.340 -0.000 0.000 0.246 110 L C 0.265 177.057 176.870 -0.130 0.000 1.153 110 L CA -0.388 54.319 54.840 -0.222 0.000 0.956 110 L CB -0.562 41.185 42.059 -0.521 0.000 1.270 110 L HN 0.707 nan 8.230 nan 0.000 0.528 111 N N -0.229 118.453 118.700 -0.031 0.000 2.577 111 N HA 0.456 5.196 4.740 -0.000 0.000 0.285 111 N C -0.760 174.920 175.510 0.282 0.000 1.309 111 N CA -0.821 52.274 53.050 0.075 0.000 0.798 111 N CB 1.699 40.208 38.487 0.035 0.000 1.463 111 N HN -0.084 nan 8.380 nan 0.000 0.518 112 R N -0.413 120.245 120.500 0.262 0.000 2.732 112 R HA 0.428 4.768 4.340 -0.000 0.000 0.278 112 R C 1.169 177.622 176.300 0.255 0.000 0.976 112 R CA -0.878 55.421 56.100 0.332 0.000 0.963 112 R CB 1.899 32.336 30.300 0.229 0.000 1.150 112 R HN 0.312 nan 8.270 nan 0.000 0.478 113 V N 1.452 121.522 119.914 0.260 0.000 2.392 113 V HA -0.171 3.949 4.120 -0.000 0.000 0.249 113 V C 0.984 177.149 176.094 0.119 0.000 1.059 113 V CA 1.654 64.056 62.300 0.170 0.000 1.051 113 V CB -0.227 31.655 31.823 0.098 0.000 0.658 113 V HN 0.635 nan 8.190 nan 0.000 0.455 114 M N -0.043 119.625 119.600 0.113 0.000 2.326 114 M HA 0.457 4.937 4.480 -0.000 0.000 0.306 114 M C -1.323 175.035 176.300 0.097 0.000 1.054 114 M CA -0.202 55.151 55.300 0.089 0.000 0.922 114 M CB 1.973 34.611 32.600 0.064 0.000 1.632 114 M HN 0.111 nan 8.290 nan 0.000 0.436 115 E N 4.095 124.351 120.200 0.093 0.000 2.246 115 E HA 0.320 4.670 4.350 -0.000 0.000 0.266 115 E C -1.095 175.554 176.600 0.081 0.000 0.880 115 E CA -0.800 55.656 56.400 0.093 0.000 0.762 115 E CB 1.739 31.500 29.700 0.101 0.000 1.180 115 E HN 0.673 nan 8.360 nan 0.000 0.416 116 K N 1.460 121.903 120.400 0.071 0.000 3.278 116 K HA -0.285 4.035 4.320 -0.000 0.000 0.270 116 K C 0.627 177.259 176.600 0.055 0.000 0.955 116 K CA 0.646 56.970 56.287 0.060 0.000 0.723 116 K CB -1.526 31.012 32.500 0.063 0.000 1.382 116 K HN 1.110 nan 8.250 nan 0.000 0.461 117 G N -0.767 108.064 108.800 0.051 0.000 2.155 117 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.257 117 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.257 117 G C -0.126 174.803 174.900 0.048 0.000 0.983 117 G CA 0.528 45.654 45.100 0.044 0.000 0.676 117 G HN 0.476 nan 8.290 nan 0.000 0.528 118 S N -0.303 115.433 115.700 0.060 0.000 2.526 118 S HA 0.715 5.185 4.470 -0.000 0.000 0.293 118 S C 0.045 174.687 174.600 0.070 0.000 1.092 118 S CA -0.910 57.329 58.200 0.065 0.000 0.980 118 S CB 2.154 65.402 63.200 0.080 0.000 1.048 118 S HN 0.426 nan 8.310 nan 0.000 0.483 119 L N 2.888 124.146 121.223 0.059 0.000 2.416 119 L HA 0.325 4.665 4.340 -0.000 0.000 0.272 119 L C 0.985 177.900 176.870 0.075 0.000 1.161 119 L CA -0.129 54.744 54.840 0.056 0.000 0.845 119 L CB 0.346 42.423 42.059 0.031 0.000 1.119 119 L HN 0.651 nan 8.230 nan 0.000 0.464 120 K N 1.429 121.884 120.400 0.091 0.000 2.440 120 K HA 0.253 4.573 4.320 -0.000 0.000 0.207 120 K C -0.424 176.233 176.600 0.095 0.000 1.112 120 K CA 0.149 56.506 56.287 0.117 0.000 1.036 120 K CB 0.841 33.423 32.500 0.137 0.000 0.935 120 K HN 0.626 nan 8.250 nan 0.000 0.564 121 C N 0.159 119.508 119.300 0.083 0.000 3.302 121 C HA 0.691 5.151 4.460 -0.000 0.000 0.347 121 C C -0.968 174.064 174.990 0.070 0.000 1.218 121 C CA -0.799 58.268 59.018 0.080 0.000 1.234 121 C CB 0.970 28.824 27.740 0.191 0.000 1.551 121 C HN 0.442 nan 8.230 nan 0.000 0.501 122 A N 2.628 125.479 122.820 0.052 0.000 2.304 122 A HA 0.586 4.906 4.320 -0.000 0.000 0.271 122 A C -0.033 177.582 177.584 0.052 0.000 1.091 122 A CA -0.000 52.059 52.037 0.038 0.000 0.812 122 A CB 0.361 19.375 19.000 0.023 0.000 1.056 122 A HN 0.984 nan 8.150 nan 0.000 0.489 123 Q N 1.167 120.917 119.800 -0.084 0.000 2.641 123 Q HA 0.205 4.545 4.340 -0.000 0.000 0.225 123 Q C -0.093 175.784 176.000 -0.206 0.000 1.309 123 Q CA 0.309 55.911 55.803 -0.334 0.000 0.935 123 Q CB -0.705 27.812 28.738 -0.368 0.000 1.557 123 Q HN 0.715 nan 8.270 nan 0.000 0.563 124 Y N 0.878 121.150 120.300 -0.048 0.000 2.529 124 Y HA 0.251 4.801 4.550 -0.000 0.000 0.290 124 Y C -0.420 175.790 175.900 0.516 0.000 1.177 124 Y CA -0.986 57.233 58.100 0.198 0.000 1.305 124 Y CB -0.388 38.049 38.460 -0.038 0.000 1.047 124 Y HN 0.400 nan 8.280 nan 0.000 0.522 125 W N -0.004 121.206 121.300 -0.149 0.000 2.962 125 W HA 0.780 5.439 4.660 -0.000 0.000 0.341 125 W C -3.248 173.206 176.519 -0.107 0.000 1.155 125 W CA -3.375 53.921 57.345 -0.080 0.000 1.165 125 W CB 0.640 29.918 29.460 -0.304 0.000 1.435 125 W HN -0.371 nan 8.180 nan 0.000 0.546 126 P HA 0.122 nan 4.420 nan 0.000 0.276 126 P C -0.012 177.200 177.300 -0.147 0.000 1.235 126 P CA 0.123 63.134 63.100 -0.149 0.000 0.772 126 P CB 1.284 32.951 31.700 -0.056 0.000 0.871 127 Q N 1.185 120.846 119.800 -0.232 0.000 2.398 127 Q HA 0.063 4.403 4.340 -0.000 0.000 0.204 127 Q C 0.152 176.138 176.000 -0.024 0.000 0.932 127 Q CA 0.843 56.578 55.803 -0.114 0.000 0.916 127 Q CB 0.277 28.914 28.738 -0.169 0.000 1.024 127 Q HN 0.398 nan 8.270 nan 0.000 0.504 128 K N 0.190 120.563 120.400 -0.045 0.000 2.397 128 K HA 0.181 4.501 4.320 -0.000 0.000 0.253 128 K C -0.237 176.348 176.600 -0.024 0.000 0.932 128 K CA -0.278 55.992 56.287 -0.028 0.000 0.795 128 K CB 1.941 34.416 32.500 -0.043 0.000 1.159 128 K HN -0.119 nan 8.250 nan 0.000 0.424 129 E N 1.601 121.795 120.200 -0.011 0.000 2.097 129 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 129 E C 1.466 178.050 176.600 -0.027 0.000 1.000 129 E CA 1.764 58.156 56.400 -0.013 0.000 0.804 129 E CB 0.185 29.880 29.700 -0.007 0.000 0.740 129 E HN 0.617 nan 8.360 nan 0.000 0.454 130 E N 0.956 121.139 120.200 -0.029 0.000 2.478 130 E HA -0.127 4.223 4.350 -0.000 0.000 0.198 130 E C -0.005 176.566 176.600 -0.047 0.000 1.046 130 E CA 0.721 57.100 56.400 -0.035 0.000 0.870 130 E CB 0.002 29.684 29.700 -0.030 0.000 0.818 130 E HN 0.102 nan 8.360 nan 0.000 0.527 131 K N 2.656 123.022 120.400 -0.057 0.000 2.562 131 K HA 0.095 4.415 4.320 -0.000 0.000 0.206 131 K C -0.016 176.529 176.600 -0.092 0.000 1.033 131 K CA -0.392 55.850 56.287 -0.075 0.000 1.029 131 K CB 0.976 33.428 32.500 -0.079 0.000 1.393 131 K HN 0.158 nan 8.250 nan 0.000 0.539 132 E N 3.313 123.456 120.200 -0.094 0.000 2.391 132 E HA 0.167 4.517 4.350 -0.000 0.000 0.255 132 E C -0.463 176.037 176.600 -0.168 0.000 1.187 132 E CA -0.111 56.221 56.400 -0.114 0.000 0.941 132 E CB 0.933 30.574 29.700 -0.099 0.000 1.010 132 E HN 0.263 nan 8.360 nan 0.000 0.458 133 M N 1.108 120.572 119.600 -0.226 0.000 2.456 133 M HA 0.415 4.895 4.480 -0.000 0.000 0.324 133 M C -0.584 175.408 176.300 -0.514 0.000 1.124 133 M CA -0.963 54.097 55.300 -0.400 0.000 0.959 133 M CB 1.822 34.120 32.600 -0.503 0.000 1.692 133 M HN 0.333 nan 8.290 nan 0.000 0.444 134 I N 2.747 122.980 120.570 -0.562 0.000 2.406 134 I HA 0.380 4.550 4.170 -0.000 0.000 0.290 134 I C -1.181 174.592 176.117 -0.574 0.000 0.999 134 I CA -0.480 60.561 61.300 -0.432 0.000 1.124 134 I CB 1.289 39.157 38.000 -0.220 0.000 1.289 134 I HN 0.581 nan 8.210 nan 0.000 0.441 135 F N 4.779 124.718 119.950 -0.018 0.000 2.293 135 F HA 0.369 4.896 4.527 -0.000 0.000 0.370 135 F C 1.562 177.359 175.800 -0.005 0.000 1.090 135 F CA -0.511 57.495 58.000 0.010 0.000 1.133 135 F CB 0.671 39.709 39.000 0.063 0.000 1.360 135 F HN 0.504 nan 8.300 nan 0.000 0.489 136 E N 1.129 121.374 120.200 0.075 0.000 2.150 136 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 136 E C 1.586 178.227 176.600 0.068 0.000 0.985 136 E CA 1.402 57.829 56.400 0.044 0.000 0.814 136 E CB 0.039 29.745 29.700 0.009 0.000 0.752 136 E HN 0.666 nan 8.360 nan 0.000 0.466 137 D N 0.085 120.541 120.400 0.094 0.000 2.144 137 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 137 D C 1.439 177.802 176.300 0.105 0.000 0.978 137 D CA 1.160 55.217 54.000 0.094 0.000 0.833 137 D CB -0.418 40.442 40.800 0.099 0.000 0.961 137 D HN -0.024 nan 8.370 nan 0.000 0.470 138 T N -0.054 114.575 114.554 0.126 0.000 3.054 138 T HA 0.079 4.429 4.350 -0.000 0.000 0.255 138 T C 0.298 175.029 174.700 0.052 0.000 1.035 138 T CA -0.242 61.918 62.100 0.101 0.000 0.941 138 T CB -0.474 68.466 68.868 0.120 0.000 1.026 138 T HN 0.327 nan 8.240 nan 0.000 0.533 139 N N 1.336 120.070 118.700 0.056 0.000 2.738 139 N HA -0.139 4.601 4.740 -0.000 0.000 0.249 139 N C -1.030 174.464 175.510 -0.028 0.000 1.047 139 N CA 0.033 53.085 53.050 0.003 0.000 0.707 139 N CB -0.848 37.619 38.487 -0.034 0.000 0.937 139 N HN 0.398 nan 8.380 nan 0.000 0.545 140 L N 0.484 121.746 121.223 0.065 0.000 2.370 140 L HA 0.523 4.862 4.340 -0.000 0.000 0.266 140 L C -0.088 176.850 176.870 0.114 0.000 1.002 140 L CA -0.746 54.130 54.840 0.059 0.000 0.818 140 L CB 2.106 44.245 42.059 0.134 0.000 1.325 140 L HN 0.046 nan 8.230 nan 0.000 0.418 141 K N 2.181 122.590 120.400 0.015 0.000 2.324 141 K HA 0.718 5.038 4.320 -0.000 0.000 0.253 141 K C -1.850 174.722 176.600 -0.047 0.000 0.932 141 K CA -0.638 55.626 56.287 -0.039 0.000 0.799 141 K CB 2.113 34.571 32.500 -0.070 0.000 1.154 141 K HN 0.389 nan 8.250 nan 0.000 0.425 142 L N 2.598 123.769 121.223 -0.087 0.000 2.409 142 L HA 0.547 4.886 4.340 -0.000 0.000 0.272 142 L C -1.530 175.269 176.870 -0.119 0.000 0.980 142 L CA 0.147 54.901 54.840 -0.144 0.000 0.826 142 L CB 2.351 44.284 42.059 -0.211 0.000 1.268 142 L HN 0.691 nan 8.230 nan 0.000 0.407 143 T N 5.085 119.581 114.554 -0.097 0.000 2.861 143 T HA 0.470 4.820 4.350 -0.000 0.000 0.287 143 T C -1.035 173.642 174.700 -0.037 0.000 1.003 143 T CA -0.389 61.674 62.100 -0.062 0.000 0.977 143 T CB 1.558 70.397 68.868 -0.048 0.000 0.996 143 T HN 0.544 nan 8.240 nan 0.000 0.448 144 L N 4.779 125.996 121.223 -0.011 0.000 2.315 144 L HA 0.328 4.668 4.340 -0.000 0.000 0.283 144 L C 0.559 177.432 176.870 0.004 0.000 1.089 144 L CA -0.020 54.832 54.840 0.019 0.000 0.833 144 L CB -0.219 41.874 42.059 0.057 0.000 1.170 144 L HN 0.584 nan 8.230 nan 0.000 0.442 145 I N 2.409 122.979 120.570 0.000 0.000 2.429 145 I HA 0.149 4.319 4.170 -0.000 0.000 0.247 145 I C 0.897 177.015 176.117 0.002 0.000 1.099 145 I CA 1.100 62.398 61.300 -0.003 0.000 1.422 145 I CB -1.005 36.992 38.000 -0.006 0.000 1.112 145 I HN 0.803 nan 8.210 nan 0.000 0.430 146 S N 0.493 116.195 115.700 0.004 0.000 2.615 146 S HA 0.581 5.051 4.470 -0.000 0.000 0.268 146 S C -1.056 173.548 174.600 0.006 0.000 1.146 146 S CA -0.899 57.304 58.200 0.005 0.000 0.818 146 S CB 2.507 65.707 63.200 -0.001 0.000 1.111 146 S HN 0.318 nan 8.310 nan 0.000 0.465 147 E N 0.101 120.306 120.200 0.008 0.000 2.366 147 E HA 0.573 4.923 4.350 -0.000 0.000 0.278 147 E C -2.198 174.396 176.600 -0.009 0.000 0.923 147 E CA -0.747 55.657 56.400 0.006 0.000 0.761 147 E CB 1.935 31.659 29.700 0.040 0.000 1.231 147 E HN 0.434 nan 8.360 nan 0.000 0.443 148 D N 3.199 123.584 120.400 -0.026 0.000 2.461 148 D HA 0.328 4.968 4.640 -0.000 0.000 0.240 148 D C -0.913 175.327 176.300 -0.100 0.000 1.094 148 D CA -0.513 53.458 54.000 -0.049 0.000 0.868 148 D CB 0.759 41.538 40.800 -0.036 0.000 1.062 148 D HN 0.491 nan 8.370 nan 0.000 0.530 149 I N 4.423 124.932 120.570 -0.103 0.000 2.301 149 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 149 I C 0.790 176.776 176.117 -0.218 0.000 1.046 149 I CA -0.579 60.634 61.300 -0.145 0.000 1.282 149 I CB 0.599 38.553 38.000 -0.077 0.000 1.409 149 I HN 0.001 nan 8.210 nan 0.000 0.484 150 K N 3.248 123.411 120.400 -0.395 0.000 2.267 150 K HA 0.366 4.686 4.320 -0.000 0.000 0.236 150 K C 1.217 177.640 176.600 -0.294 0.000 1.030 150 K CA -0.423 55.604 56.287 -0.434 0.000 0.930 150 K CB 1.120 33.086 32.500 -0.889 0.000 1.182 150 K HN 0.558 nan 8.250 nan 0.000 0.474 151 S N -0.273 115.336 115.700 -0.151 0.000 2.382 151 S HA -0.193 4.277 4.470 -0.000 0.000 0.228 151 S C 1.605 176.232 174.600 0.045 0.000 1.027 151 S CA 1.585 59.784 58.200 -0.002 0.000 0.991 151 S CB -0.499 62.772 63.200 0.118 0.000 0.823 151 S HN 0.681 nan 8.310 nan 0.000 0.469 152 Y N 0.133 120.365 120.300 -0.114 0.000 2.527 152 Y HA 0.598 5.147 4.550 -0.000 0.000 0.247 152 Y C -0.002 175.780 175.900 -0.196 0.000 1.138 152 Y CA -1.918 56.100 58.100 -0.137 0.000 1.228 152 Y CB -0.313 38.064 38.460 -0.139 0.000 1.252 152 Y HN 0.413 nan 8.280 nan 0.000 0.531 153 Y N -2.063 117.863 120.300 -0.622 0.000 2.624 153 Y HA 0.819 5.368 4.550 -0.000 0.000 0.334 153 Y C -1.385 174.368 175.900 -0.246 0.000 1.155 153 Y CA -1.693 56.111 58.100 -0.494 0.000 1.046 153 Y CB 1.250 39.359 38.460 -0.584 0.000 1.316 153 Y HN -0.120 nan 8.280 nan 0.000 0.457 154 T N 2.239 116.786 114.554 -0.011 0.000 2.893 154 T HA 0.636 4.986 4.350 -0.000 0.000 0.293 154 T C -1.474 173.298 174.700 0.119 0.000 1.027 154 T CA -0.729 61.347 62.100 -0.039 0.000 0.988 154 T CB 1.872 70.730 68.868 -0.017 0.000 1.043 154 T HN 0.625 nan 8.240 nan 0.000 0.461 155 V N 3.657 123.598 119.914 0.045 0.000 2.495 155 V HA 0.597 4.717 4.120 -0.000 0.000 0.298 155 V C -0.130 175.914 176.094 -0.083 0.000 1.031 155 V CA -0.868 61.404 62.300 -0.046 0.000 0.871 155 V CB 1.660 33.480 31.823 -0.006 0.000 0.988 155 V HN 0.713 nan 8.190 nan 0.000 0.432 156 R N 3.289 123.710 120.500 -0.132 0.000 2.740 156 R HA 0.621 4.961 4.340 -0.000 0.000 0.282 156 R C -1.081 175.159 176.300 -0.101 0.000 0.969 156 R CA -0.848 55.210 56.100 -0.070 0.000 0.918 156 R CB 2.442 32.726 30.300 -0.027 0.000 1.175 156 R HN 0.646 nan 8.270 nan 0.000 0.464 157 Q N 2.299 122.065 119.800 -0.057 0.000 2.325 157 Q HA 0.441 4.781 4.340 -0.000 0.000 0.262 157 Q C -0.918 175.065 176.000 -0.028 0.000 0.968 157 Q CA -0.330 55.445 55.803 -0.047 0.000 0.877 157 Q CB 1.613 30.334 28.738 -0.029 0.000 1.253 157 Q HN 0.310 nan 8.270 nan 0.000 0.448 158 L N 1.636 122.843 121.223 -0.026 0.000 2.342 158 L HA 0.548 4.888 4.340 -0.000 0.000 0.271 158 L C -0.362 176.489 176.870 -0.032 0.000 1.008 158 L CA -0.766 54.052 54.840 -0.037 0.000 0.818 158 L CB 2.068 44.088 42.059 -0.064 0.000 1.296 158 L HN 0.561 nan 8.230 nan 0.000 0.427 159 E N 2.446 122.620 120.200 -0.042 0.000 2.129 159 E HA 0.416 4.765 4.350 -0.000 0.000 0.268 159 E C -1.658 174.921 176.600 -0.034 0.000 0.900 159 E CA -0.802 55.589 56.400 -0.015 0.000 0.755 159 E CB 1.809 31.506 29.700 -0.004 0.000 1.117 159 E HN 0.357 nan 8.360 nan 0.000 0.410 160 L N 4.290 125.528 121.223 0.026 0.000 2.282 160 L HA 0.435 4.775 4.340 -0.000 0.000 0.288 160 L C -0.896 176.073 176.870 0.166 0.000 1.033 160 L CA -0.140 54.734 54.840 0.057 0.000 0.807 160 L CB 1.488 43.644 42.059 0.163 0.000 1.209 160 L HN 0.625 nan 8.230 nan 0.000 0.423 161 E N 3.680 123.896 120.200 0.028 0.000 2.199 161 E HA 0.220 4.570 4.350 -0.000 0.000 0.265 161 E C -1.048 175.386 176.600 -0.277 0.000 0.882 161 E CA -0.759 55.612 56.400 -0.049 0.000 0.759 161 E CB 1.113 30.791 29.700 -0.037 0.000 1.148 161 E HN 0.597 nan 8.360 nan 0.000 0.412 162 N N 5.478 123.829 118.700 -0.582 0.000 2.402 162 N HA 0.052 4.792 4.740 -0.000 0.000 0.252 162 N C 0.874 176.189 175.510 -0.326 0.000 1.118 162 N CA 0.137 52.737 53.050 -0.749 0.000 0.945 162 N CB 0.560 38.366 38.487 -1.136 0.000 1.147 162 N HN 0.680 nan 8.380 nan 0.000 0.495 163 L N 2.199 123.290 121.223 -0.219 0.000 2.265 163 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 163 L C 1.815 178.625 176.870 -0.099 0.000 1.117 163 L CA 0.966 55.732 54.840 -0.123 0.000 0.782 163 L CB -0.339 41.668 42.059 -0.086 0.000 0.914 163 L HN 0.481 nan 8.230 nan 0.000 0.441 164 T N -1.556 112.926 114.554 -0.121 0.000 2.857 164 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 164 T C 1.764 176.433 174.700 -0.052 0.000 1.048 164 T CA 1.858 63.913 62.100 -0.076 0.000 1.139 164 T CB -0.127 68.696 68.868 -0.075 0.000 0.874 164 T HN 0.541 nan 8.240 nan 0.000 0.455 165 T N -2.256 112.259 114.554 -0.065 0.000 3.040 165 T HA 0.290 4.640 4.350 -0.000 0.000 0.266 165 T C 0.873 175.572 174.700 -0.001 0.000 1.005 165 T CA 0.066 62.158 62.100 -0.012 0.000 0.906 165 T CB 0.201 69.088 68.868 0.031 0.000 1.082 165 T HN 0.095 nan 8.240 nan 0.000 0.531 166 Q N 0.417 120.199 119.800 -0.030 0.000 2.324 166 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 166 Q C 0.032 176.050 176.000 0.031 0.000 0.645 166 Q CA 1.429 57.226 55.803 -0.010 0.000 1.377 166 Q CB -1.756 26.984 28.738 0.004 0.000 1.486 166 Q HN 0.905 nan 8.270 nan 0.000 0.796 167 E N 0.589 120.831 120.200 0.069 0.000 2.373 167 E HA 0.306 4.656 4.350 -0.000 0.000 0.267 167 E C -0.148 176.610 176.600 0.262 0.000 1.032 167 E CA 0.709 57.226 56.400 0.194 0.000 0.889 167 E CB 0.628 30.533 29.700 0.342 0.000 0.984 167 E HN 0.285 nan 8.360 nan 0.000 0.425 168 T N 1.989 116.698 114.554 0.258 0.000 2.907 168 T HA 0.688 5.038 4.350 -0.000 0.000 0.292 168 T C -0.369 174.472 174.700 0.236 0.000 1.043 168 T CA -1.020 61.230 62.100 0.251 0.000 1.003 168 T CB 1.565 70.506 68.868 0.120 0.000 1.084 168 T HN 0.497 nan 8.240 nan 0.000 0.483 169 R N 0.418 121.050 120.500 0.221 0.000 2.698 169 R HA 0.447 4.787 4.340 -0.000 0.000 0.275 169 R C -1.140 175.199 176.300 0.065 0.000 1.001 169 R CA -0.851 55.301 56.100 0.087 0.000 0.896 169 R CB 2.469 32.751 30.300 -0.029 0.000 1.218 169 R HN 0.842 nan 8.270 nan 0.000 0.462 170 E N 3.496 123.710 120.200 0.022 0.000 2.200 170 E HA 0.240 4.590 4.350 -0.000 0.000 0.283 170 E C -0.644 175.959 176.600 0.005 0.000 1.015 170 E CA -0.494 55.913 56.400 0.013 0.000 0.819 170 E CB 0.768 30.470 29.700 0.004 0.000 1.081 170 E HN 0.276 nan 8.360 nan 0.000 0.397 171 I N 5.544 126.132 120.570 0.029 0.000 2.474 171 I HA 0.287 4.457 4.170 -0.000 0.000 0.294 171 I C -0.141 175.997 176.117 0.035 0.000 1.005 171 I CA -0.823 60.519 61.300 0.069 0.000 1.113 171 I CB 1.297 39.418 38.000 0.202 0.000 1.289 171 I HN 0.580 nan 8.210 nan 0.000 0.436 172 L N 5.482 126.709 121.223 0.007 0.000 2.282 172 L HA 0.389 4.729 4.340 -0.000 0.000 0.288 172 L C 0.089 176.833 176.870 -0.211 0.000 1.033 172 L CA -0.444 54.291 54.840 -0.175 0.000 0.807 172 L CB 1.031 42.961 42.059 -0.215 0.000 1.209 172 L HN 0.527 nan 8.230 nan 0.000 0.423 173 H N 4.171 122.973 119.070 -0.447 0.000 2.551 173 H HA 0.345 4.901 4.556 -0.000 0.000 0.321 173 H C -1.487 173.548 175.328 -0.487 0.000 1.028 173 H CA -0.630 55.222 56.048 -0.326 0.000 1.215 173 H CB 1.022 30.614 29.762 -0.282 0.000 1.414 173 H HN 0.372 nan 8.280 nan 0.000 0.480 174 F N 4.644 124.468 119.950 -0.209 0.000 2.325 174 F HA 0.169 4.696 4.527 -0.000 0.000 0.369 174 F C 0.395 176.217 175.800 0.037 0.000 1.095 174 F CA -0.570 57.409 58.000 -0.035 0.000 1.082 174 F CB 0.558 39.472 39.000 -0.143 0.000 1.289 174 F HN 0.547 nan 8.300 nan 0.000 0.462 175 H N 3.591 122.681 119.070 0.034 0.000 2.623 175 H HA 0.201 4.756 4.556 -0.000 0.000 0.299 175 H C -1.230 174.153 175.328 0.092 0.000 1.052 175 H CA -0.883 55.131 56.048 -0.056 0.000 1.231 175 H CB 0.633 30.285 29.762 -0.183 0.000 1.389 175 H HN 0.589 nan 8.280 nan 0.000 0.469 176 Y N 4.853 125.166 120.300 0.022 0.000 2.436 176 Y HA 0.014 4.564 4.550 -0.000 0.000 0.343 176 Y C 1.180 177.056 175.900 -0.039 0.000 1.008 176 Y CA 0.030 57.993 58.100 -0.228 0.000 1.241 176 Y CB 0.968 39.125 38.460 -0.505 0.000 1.153 176 Y HN 0.717 nan 8.280 nan 0.000 0.521 177 T N -1.514 113.034 114.554 -0.009 0.000 3.069 177 T HA 0.016 4.366 4.350 -0.000 0.000 0.252 177 T C 0.820 175.619 174.700 0.166 0.000 1.053 177 T CA 0.614 62.705 62.100 -0.015 0.000 0.964 177 T CB -0.285 68.452 68.868 -0.219 0.000 1.005 177 T HN 0.617 nan 8.240 nan 0.000 0.532 178 T N -2.273 112.480 114.554 0.333 0.000 3.296 178 T HA 0.260 4.610 4.350 -0.000 0.000 0.285 178 T C -0.583 174.361 174.700 0.406 0.000 1.014 178 T CA -0.792 61.496 62.100 0.313 0.000 0.920 178 T CB -0.384 68.622 68.868 0.230 0.000 1.143 178 T HN 0.370 nan 8.240 nan 0.000 0.522 179 W N 5.069 126.487 121.300 0.197 0.000 2.288 179 W HA 0.440 5.100 4.660 -0.000 0.000 0.325 179 W C -2.765 173.728 176.519 -0.044 0.000 1.019 179 W CA -3.436 53.884 57.345 -0.042 0.000 1.403 179 W CB 1.143 30.420 29.460 -0.304 0.000 1.226 179 W HN 0.106 nan 8.180 nan 0.000 0.391 180 P HA -0.036 nan 4.420 nan 0.000 0.272 180 P C -0.156 177.225 177.300 0.134 0.000 1.223 180 P CA 0.050 63.264 63.100 0.190 0.000 0.784 180 P CB 1.190 32.972 31.700 0.137 0.000 0.923 181 D N 1.344 121.788 120.400 0.072 0.000 2.458 181 D HA 0.023 4.663 4.640 -0.000 0.000 0.243 181 D C 0.270 176.656 176.300 0.142 0.000 1.146 181 D CA 0.151 54.151 54.000 -0.001 0.000 0.877 181 D CB -0.480 40.355 40.800 0.058 0.000 1.176 181 D HN 0.294 nan 8.370 nan 0.000 0.461 182 F N 0.018 119.932 119.950 -0.060 0.000 3.034 182 F HA -0.198 4.328 4.527 -0.000 0.000 0.286 182 F C 1.008 176.799 175.800 -0.015 0.000 0.804 182 F CA 1.014 58.986 58.000 -0.046 0.000 1.161 182 F CB -1.450 37.526 39.000 -0.041 0.000 1.317 182 F HN 0.383 nan 8.300 nan 0.000 0.453 183 G N -0.838 108.049 108.800 0.146 0.000 3.209 183 G HA2 0.795 4.755 3.960 -0.000 0.000 0.236 183 G HA3 0.795 4.755 3.960 -0.000 0.000 0.236 183 G C -0.667 174.331 174.900 0.163 0.000 1.329 183 G CA -0.075 45.102 45.100 0.128 0.000 1.015 183 G HN 0.697 nan 8.290 nan 0.000 0.571 184 V N -3.285 116.580 119.914 -0.082 0.000 3.102 184 V HA 0.799 4.919 4.120 -0.000 0.000 0.312 184 V C -2.854 172.655 176.094 -0.974 0.000 1.135 184 V CA -2.487 59.478 62.300 -0.558 0.000 1.022 184 V CB 1.630 33.075 31.823 -0.630 0.000 1.056 184 V HN 0.538 nan 8.190 nan 0.000 0.436 185 P HA 0.184 nan 4.420 nan 0.000 0.271 185 P C 0.711 177.675 177.300 -0.559 0.000 1.233 185 P CA 0.140 62.528 63.100 -1.187 0.000 0.789 185 P CB 0.444 31.404 31.700 -1.234 0.000 0.951 186 E N 0.709 120.743 120.200 -0.277 0.000 2.209 186 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 186 E C -0.025 176.527 176.600 -0.081 0.000 0.993 186 E CA 0.938 57.248 56.400 -0.151 0.000 0.819 186 E CB -0.015 29.613 29.700 -0.120 0.000 0.745 186 E HN 0.408 nan 8.360 nan 0.000 0.477 187 S N -2.236 113.442 115.700 -0.036 0.000 2.595 187 S HA 0.263 4.733 4.470 -0.000 0.000 0.270 187 S C -2.632 172.065 174.600 0.162 0.000 1.145 187 S CA -1.141 57.100 58.200 0.069 0.000 0.825 187 S CB 1.666 64.859 63.200 -0.010 0.000 1.107 187 S HN -0.205 nan 8.310 nan 0.000 0.461 188 P HA 0.019 nan 4.420 nan 0.000 0.218 188 P C 1.640 178.835 177.300 -0.174 0.000 1.148 188 P CA 2.118 65.120 63.100 -0.164 0.000 0.822 188 P CB -0.161 31.322 31.700 -0.362 0.000 0.784 189 A N 0.181 122.891 122.820 -0.183 0.000 1.877 189 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 189 A C 2.410 179.934 177.584 -0.099 0.000 1.186 189 A CA 2.521 54.416 52.037 -0.237 0.000 0.620 189 A CB -1.676 17.327 19.000 0.004 0.000 0.822 189 A HN 0.340 nan 8.150 nan 0.000 0.443 190 S N -1.150 114.522 115.700 -0.048 0.000 2.383 190 S HA -0.168 4.302 4.470 -0.000 0.000 0.227 190 S C 1.855 176.593 174.600 0.230 0.000 1.026 190 S CA 1.433 59.597 58.200 -0.060 0.000 0.981 190 S CB -0.746 62.193 63.200 -0.435 0.000 0.818 190 S HN 0.583 nan 8.310 nan 0.000 0.472 191 F N 2.515 122.522 119.950 0.095 0.000 2.084 191 F HA 0.132 4.659 4.527 -0.000 0.000 0.296 191 F C 1.934 177.836 175.800 0.170 0.000 1.111 191 F CA 1.255 59.365 58.000 0.183 0.000 1.224 191 F CB -0.416 38.650 39.000 0.110 0.000 0.991 191 F HN 0.133 nan 8.300 nan 0.000 0.471 192 L N 0.342 121.509 121.223 -0.093 0.000 2.083 192 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 192 L C 2.230 179.041 176.870 -0.098 0.000 1.083 192 L CA 1.576 56.227 54.840 -0.315 0.000 0.752 192 L CB -0.982 40.466 42.059 -1.019 0.000 0.899 192 L HN 0.270 nan 8.230 nan 0.000 0.433 193 N N 0.413 119.113 118.700 -0.001 0.000 2.104 193 N HA -0.273 4.467 4.740 -0.000 0.000 0.190 193 N C 1.766 177.321 175.510 0.075 0.000 1.024 193 N CA 1.478 54.630 53.050 0.170 0.000 0.853 193 N CB -0.222 38.428 38.487 0.271 0.000 1.008 193 N HN 0.258 nan 8.380 nan 0.000 0.424 194 F N 0.393 120.254 119.950 -0.149 0.000 2.113 194 F HA -0.028 4.498 4.527 -0.000 0.000 0.297 194 F C 2.015 177.660 175.800 -0.258 0.000 1.103 194 F CA 0.882 58.675 58.000 -0.345 0.000 1.248 194 F CB -0.667 38.228 39.000 -0.176 0.000 0.999 194 F HN 0.155 nan 8.300 nan 0.000 0.475 195 L N -0.111 120.968 121.223 -0.239 0.000 2.012 195 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 195 L C 2.011 178.609 176.870 -0.455 0.000 1.073 195 L CA 2.002 56.590 54.840 -0.420 0.000 0.748 195 L CB -1.328 40.362 42.059 -0.615 0.000 0.891 195 L HN 0.146 nan 8.230 nan 0.000 0.431 196 F N -0.186 119.579 119.950 -0.308 0.000 2.365 196 F HA -0.112 4.415 4.527 -0.000 0.000 0.300 196 F C 2.410 178.062 175.800 -0.246 0.000 1.090 196 F CA 1.336 59.193 58.000 -0.239 0.000 1.408 196 F CB -0.507 38.388 39.000 -0.174 0.000 1.060 196 F HN 0.123 nan 8.300 nan 0.000 0.534 197 K N 0.613 120.902 120.400 -0.185 0.000 2.057 197 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 197 K C 1.952 178.312 176.600 -0.399 0.000 1.050 197 K CA 1.288 57.451 56.287 -0.207 0.000 0.935 197 K CB -0.660 31.685 32.500 -0.258 0.000 0.715 197 K HN 0.085 nan 8.250 nan 0.000 0.439 198 V N 1.091 120.543 119.914 -0.770 0.000 2.295 198 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 198 V C 2.378 178.134 176.094 -0.563 0.000 1.049 198 V CA 2.071 63.708 62.300 -1.106 0.000 1.024 198 V CB -0.478 30.737 31.823 -1.013 0.000 0.648 198 V HN 0.307 nan 8.190 nan 0.000 0.447 199 R N -0.093 120.151 120.500 -0.427 0.000 2.083 199 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 199 R C 2.328 178.529 176.300 -0.165 0.000 1.137 199 R CA 1.845 57.765 56.100 -0.300 0.000 0.951 199 R CB -0.356 29.693 30.300 -0.419 0.000 0.851 199 R HN 0.604 nan 8.270 nan 0.000 0.434 200 E N 0.295 120.421 120.200 -0.123 0.000 2.204 200 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 200 E C 1.937 178.541 176.600 0.007 0.000 0.990 200 E CA 1.411 57.797 56.400 -0.023 0.000 0.821 200 E CB 0.018 29.729 29.700 0.017 0.000 0.750 200 E HN 0.347 nan 8.360 nan 0.000 0.477 201 S N -0.792 114.908 115.700 -0.001 0.000 2.474 201 S HA -0.009 4.461 4.470 -0.000 0.000 0.235 201 S C 1.744 176.397 174.600 0.088 0.000 0.997 201 S CA 0.759 59.017 58.200 0.096 0.000 0.949 201 S CB 0.109 63.469 63.200 0.266 0.000 0.766 201 S HN 0.392 nan 8.310 nan 0.000 0.517 202 G N 0.309 109.136 108.800 0.044 0.000 2.176 202 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.253 202 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.253 202 G C 0.984 175.971 174.900 0.145 0.000 0.979 202 G CA 0.483 45.635 45.100 0.086 0.000 0.641 202 G HN 0.601 nan 8.290 nan 0.000 0.530 203 S N -0.115 115.632 115.700 0.079 0.000 2.419 203 S HA 0.044 4.514 4.470 -0.000 0.000 0.233 203 S C 1.965 176.605 174.600 0.067 0.000 1.016 203 S CA 1.301 59.538 58.200 0.063 0.000 0.974 203 S CB -0.142 63.111 63.200 0.090 0.000 0.786 203 S HN 0.540 nan 8.310 nan 0.000 0.492 204 L N 1.225 122.453 121.223 0.009 0.000 2.611 204 L HA 0.222 4.562 4.340 -0.000 0.000 0.229 204 L C 0.990 177.842 176.870 -0.031 0.000 1.137 204 L CA -0.287 54.533 54.840 -0.033 0.000 0.901 204 L CB -0.205 41.801 42.059 -0.088 0.000 1.098 204 L HN 0.126 nan 8.230 nan 0.000 0.456 205 S N 1.724 117.444 115.700 0.033 0.000 2.560 205 S HA 0.116 4.585 4.470 -0.000 0.000 0.284 205 S C -0.968 173.586 174.600 -0.075 0.000 1.327 205 S CA -1.062 57.117 58.200 -0.034 0.000 1.055 205 S CB 0.734 63.896 63.200 -0.064 0.000 0.868 205 S HN 0.078 nan 8.310 nan 0.000 0.506 206 P HA -0.097 nan 4.420 nan 0.000 0.234 206 P C 0.793 178.016 177.300 -0.127 0.000 1.167 206 P CA 0.812 63.850 63.100 -0.104 0.000 0.763 206 P CB -0.155 31.490 31.700 -0.093 0.000 0.835 207 E N -1.293 118.782 120.200 -0.208 0.000 2.358 207 E HA -0.105 4.244 4.350 -0.000 0.000 0.195 207 E C 0.522 176.943 176.600 -0.298 0.000 1.010 207 E CA 0.367 56.603 56.400 -0.273 0.000 0.856 207 E CB -0.380 29.102 29.700 -0.363 0.000 0.795 207 E HN 0.338 nan 8.360 nan 0.000 0.504 208 H N 0.347 119.381 119.070 -0.060 0.000 2.570 208 H HA 0.449 5.004 4.556 -0.000 0.000 0.342 208 H C 0.549 175.831 175.328 -0.078 0.000 1.245 208 H CA -0.208 55.800 56.048 -0.066 0.000 1.318 208 H CB 1.013 30.743 29.762 -0.053 0.000 1.694 208 H HN 0.157 nan 8.280 nan 0.000 0.592 209 G N 0.288 109.128 108.800 0.066 0.000 2.616 209 G HA2 0.244 4.204 3.960 -0.000 0.000 0.268 209 G HA3 0.244 4.204 3.960 -0.000 0.000 0.268 209 G C -2.400 172.486 174.900 -0.023 0.000 1.213 209 G CA -1.042 44.048 45.100 -0.015 0.000 0.926 209 G HN 0.318 nan 8.290 nan 0.000 0.523 210 P HA 0.131 nan 4.420 nan 0.000 0.268 210 P C 0.284 177.561 177.300 -0.039 0.000 1.204 210 P CA -0.407 62.649 63.100 -0.073 0.000 0.768 210 P CB 1.022 32.673 31.700 -0.081 0.000 0.842 211 V N 4.955 124.862 119.914 -0.011 0.000 2.872 211 V HA 0.011 4.131 4.120 -0.000 0.000 0.307 211 V C -0.168 175.958 176.094 0.053 0.000 1.072 211 V CA 0.133 62.459 62.300 0.044 0.000 1.148 211 V CB 0.659 32.544 31.823 0.103 0.000 0.954 211 V HN 0.168 nan 8.190 nan 0.000 0.490 212 V N 7.277 127.207 119.914 0.028 0.000 2.383 212 V HA 0.392 4.512 4.120 -0.000 0.000 0.275 212 V C -0.053 176.078 176.094 0.062 0.000 1.036 212 V CA -0.296 62.002 62.300 -0.004 0.000 0.889 212 V CB 1.411 33.149 31.823 -0.142 0.000 0.985 212 V HN 0.682 nan 8.190 nan 0.000 0.459 213 V N 5.683 125.629 119.914 0.053 0.000 2.555 213 V HA 0.696 4.816 4.120 -0.000 0.000 0.302 213 V C -0.484 175.629 176.094 0.031 0.000 1.038 213 V CA -0.549 61.738 62.300 -0.022 0.000 0.887 213 V CB 1.698 33.495 31.823 -0.042 0.000 0.991 213 V HN 1.185 nan 8.190 nan 0.000 0.434 214 H N 2.064 121.079 119.070 -0.091 0.000 3.042 214 H HA 0.819 5.375 4.556 -0.000 0.000 0.346 214 H C -0.376 174.876 175.328 -0.127 0.000 1.294 214 H CA -0.290 55.705 56.048 -0.088 0.000 1.141 214 H CB 1.318 31.054 29.762 -0.044 0.000 1.872 214 H HN 0.776 nan 8.280 nan 0.000 0.541 215 C N -0.209 119.057 119.300 -0.057 0.000 4.405 215 C HA 0.647 5.107 4.460 -0.000 0.000 0.246 215 C C 1.857 176.912 174.990 0.108 0.000 4.244 215 C CA 0.243 59.184 59.018 -0.129 0.000 1.736 215 C CB 0.906 28.464 27.740 -0.303 0.000 5.064 215 C HN 0.833 nan 8.230 nan 0.000 0.503 216 S N 0.283 116.000 115.700 0.029 0.000 2.355 216 S HA 0.196 4.666 4.470 -0.000 0.000 0.216 216 S C 1.847 176.578 174.600 0.218 0.000 1.037 216 S CA 1.411 59.697 58.200 0.143 0.000 0.955 216 S CB -0.677 62.618 63.200 0.159 0.000 0.877 216 S HN 1.071 nan 8.310 nan 0.000 0.488 217 A N -0.388 122.519 122.820 0.145 0.000 2.147 217 A HA 0.512 4.832 4.320 -0.000 0.000 0.211 217 A C 1.531 179.144 177.584 0.048 0.000 1.160 217 A CA 0.889 53.029 52.037 0.173 0.000 0.781 217 A CB -0.762 18.216 19.000 -0.037 0.000 0.842 217 A HN 1.367 nan 8.150 nan 0.000 0.475 218 G N -0.161 108.631 108.800 -0.013 0.000 2.182 218 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.248 218 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.248 218 G C 0.602 175.461 174.900 -0.068 0.000 1.042 218 G CA 0.844 45.926 45.100 -0.031 0.000 0.775 218 G HN 1.359 nan 8.290 nan 0.000 0.501 219 I N -5.220 115.282 120.570 -0.113 0.000 4.738 219 I HA 0.431 4.601 4.170 -0.000 0.000 0.315 219 I C 1.882 177.922 176.117 -0.129 0.000 1.214 219 I CA 0.818 62.059 61.300 -0.098 0.000 1.337 219 I CB -0.388 37.569 38.000 -0.073 0.000 1.433 219 I HN 0.069 nan 8.210 nan 0.000 0.472 220 G N 1.841 110.505 108.800 -0.228 0.000 2.551 220 G HA2 -0.021 3.938 3.960 -0.000 0.000 0.214 220 G HA3 -0.021 3.938 3.960 -0.000 0.000 0.214 220 G C 1.636 176.357 174.900 -0.298 0.000 1.250 220 G CA 0.622 45.567 45.100 -0.260 0.000 0.825 220 G HN 0.201 nan 8.290 nan 0.000 0.549 221 R N 0.302 120.488 120.500 -0.523 0.000 2.081 221 R HA 0.007 4.347 4.340 -0.000 0.000 0.235 221 R C 3.042 179.000 176.300 -0.570 0.000 1.131 221 R CA 1.381 56.937 56.100 -0.906 0.000 0.960 221 R CB -0.397 29.022 30.300 -1.468 0.000 0.856 221 R HN 0.287 nan 8.270 nan 0.000 0.436 222 S N -0.013 115.464 115.700 -0.372 0.000 2.370 222 S HA -0.124 4.346 4.470 -0.000 0.000 0.226 222 S C 2.005 176.577 174.600 -0.048 0.000 1.033 222 S CA 1.412 59.502 58.200 -0.184 0.000 1.011 222 S CB -0.436 62.677 63.200 -0.144 0.000 0.852 222 S HN 0.636 nan 8.310 nan 0.000 0.457 223 G N 1.040 109.802 108.800 -0.064 0.000 2.422 223 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 223 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 223 G C 1.451 176.376 174.900 0.042 0.000 1.146 223 G CA 1.441 46.537 45.100 -0.007 0.000 0.769 223 G HN 0.489 nan 8.290 nan 0.000 0.547 224 T N 0.801 115.396 114.554 0.068 0.000 2.708 224 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 224 T C 1.923 176.760 174.700 0.229 0.000 1.037 224 T CA 1.178 63.370 62.100 0.154 0.000 1.146 224 T CB -0.333 68.707 68.868 0.286 0.000 0.865 224 T HN 0.253 nan 8.240 nan 0.000 0.435 225 F N 1.467 121.557 119.950 0.233 0.000 2.069 225 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 225 F C 2.476 178.367 175.800 0.152 0.000 1.113 225 F CA 1.105 59.352 58.000 0.412 0.000 1.214 225 F CB -0.713 38.471 39.000 0.306 0.000 0.978 225 F HN 0.168 nan 8.300 nan 0.000 0.474 226 C N 0.070 119.409 119.300 0.064 0.000 2.446 226 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 226 C C 2.636 177.477 174.990 -0.249 0.000 1.275 226 C CA 0.775 59.566 59.018 -0.380 0.000 1.727 226 C CB -1.461 25.912 27.740 -0.611 0.000 2.010 226 C HN 0.661 nan 8.230 nan 0.000 0.486 227 L N 2.099 123.267 121.223 -0.091 0.000 2.012 227 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 227 L C 2.589 179.431 176.870 -0.046 0.000 1.073 227 L CA 2.452 57.268 54.840 -0.039 0.000 0.748 227 L CB -0.971 41.091 42.059 0.006 0.000 0.891 227 L HN 0.265 nan 8.230 nan 0.000 0.431 228 A N -0.835 121.955 122.820 -0.049 0.000 1.902 228 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 228 A C 2.097 179.664 177.584 -0.027 0.000 1.181 228 A CA 1.928 53.943 52.037 -0.037 0.000 0.623 228 A CB -1.080 17.912 19.000 -0.014 0.000 0.818 228 A HN 0.598 nan 8.150 nan 0.000 0.443 229 D N -1.144 119.192 120.400 -0.105 0.000 2.097 229 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 229 D C 1.966 178.261 176.300 -0.007 0.000 0.989 229 D CA 2.022 55.943 54.000 -0.133 0.000 0.827 229 D CB -0.220 40.435 40.800 -0.242 0.000 0.966 229 D HN 0.336 nan 8.370 nan 0.000 0.456 230 T N -0.935 113.646 114.554 0.044 0.000 2.746 230 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 230 T C 2.199 176.925 174.700 0.043 0.000 1.039 230 T CA 1.272 63.429 62.100 0.095 0.000 1.142 230 T CB -0.633 68.312 68.868 0.127 0.000 0.866 230 T HN 0.297 nan 8.240 nan 0.000 0.444 231 C N 0.974 120.283 119.300 0.015 0.000 2.425 231 C HA 0.040 4.500 4.460 -0.000 0.000 0.277 231 C C 2.687 177.689 174.990 0.019 0.000 1.280 231 C CA 0.393 59.414 59.018 0.004 0.000 1.744 231 C CB -1.394 26.326 27.740 -0.033 0.000 1.989 231 C HN 0.520 nan 8.230 nan 0.000 0.491 232 L N -0.282 120.958 121.223 0.029 0.000 2.093 232 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 232 L C 2.474 179.381 176.870 0.063 0.000 1.085 232 L CA 0.927 55.807 54.840 0.067 0.000 0.755 232 L CB -0.536 41.581 42.059 0.095 0.000 0.904 232 L HN 0.271 nan 8.230 nan 0.000 0.435 233 L N -0.483 120.762 121.223 0.036 0.000 2.017 233 L HA -0.225 4.114 4.340 -0.000 0.000 0.208 233 L C 2.369 179.258 176.870 0.032 0.000 1.073 233 L CA 1.792 56.648 54.840 0.028 0.000 0.745 233 L CB -0.650 41.419 42.059 0.017 0.000 0.894 233 L HN 0.140 nan 8.230 nan 0.000 0.432 234 L N -1.902 119.341 121.223 0.032 0.000 2.083 234 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 234 L C 2.508 179.397 176.870 0.030 0.000 1.083 234 L CA 1.211 56.069 54.840 0.029 0.000 0.752 234 L CB -0.458 41.619 42.059 0.029 0.000 0.899 234 L HN 0.295 nan 8.230 nan 0.000 0.433 235 M N -0.631 118.990 119.600 0.036 0.000 2.213 235 M HA -0.215 4.265 4.480 -0.000 0.000 0.263 235 M C 1.677 178.002 176.300 0.041 0.000 1.062 235 M CA 1.511 56.835 55.300 0.039 0.000 1.105 235 M CB -0.388 32.242 32.600 0.049 0.000 1.385 235 M HN 0.166 nan 8.290 nan 0.000 0.417 236 D N 0.277 120.707 120.400 0.049 0.000 2.277 236 D HA -0.099 4.541 4.640 -0.000 0.000 0.208 236 D C 1.873 178.190 176.300 0.028 0.000 0.962 236 D CA 0.973 55.000 54.000 0.046 0.000 0.865 236 D CB 0.198 41.038 40.800 0.067 0.000 0.939 236 D HN 0.232 nan 8.370 nan 0.000 0.510 237 K N -0.439 119.976 120.400 0.025 0.000 2.168 237 K HA 0.085 4.404 4.320 -0.000 0.000 0.201 237 K C 0.456 177.065 176.600 0.014 0.000 1.049 237 K CA -0.056 56.241 56.287 0.016 0.000 0.974 237 K CB 0.359 32.868 32.500 0.014 0.000 0.792 237 K HN -0.071 nan 8.250 nan 0.000 0.463 238 R N 1.593 122.103 120.500 0.017 0.000 2.543 238 R HA 0.049 4.389 4.340 -0.000 0.000 0.277 238 R C 1.096 177.403 176.300 0.013 0.000 1.074 238 R CA -0.379 55.731 56.100 0.016 0.000 1.076 238 R CB 0.662 30.973 30.300 0.018 0.000 0.993 238 R HN 0.035 nan 8.270 nan 0.000 0.459 239 K N 1.095 121.501 120.400 0.011 0.000 2.103 239 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 239 K C 0.343 176.949 176.600 0.010 0.000 1.048 239 K CA 1.383 57.675 56.287 0.008 0.000 0.930 239 K CB -0.174 32.331 32.500 0.007 0.000 0.716 239 K HN 0.540 nan 8.250 nan 0.000 0.444 240 D N 0.645 121.052 120.400 0.013 0.000 2.454 240 D HA 0.132 4.772 4.640 -0.000 0.000 0.247 240 D C -1.829 174.481 176.300 0.018 0.000 1.129 240 D CA -2.382 51.627 54.000 0.014 0.000 0.877 240 D CB 1.597 42.406 40.800 0.015 0.000 1.082 240 D HN -0.180 nan 8.370 nan 0.000 0.537 241 P HA -0.148 nan 4.420 nan 0.000 0.222 241 P C 1.005 178.320 177.300 0.024 0.000 1.147 241 P CA 0.663 63.777 63.100 0.023 0.000 0.790 241 P CB 0.126 31.841 31.700 0.026 0.000 0.780 242 S N -0.014 115.702 115.700 0.025 0.000 2.547 242 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 242 S C 1.885 176.503 174.600 0.030 0.000 0.980 242 S CA 0.995 59.213 58.200 0.030 0.000 0.941 242 S CB -1.341 61.877 63.200 0.030 0.000 0.763 242 S HN 0.308 nan 8.310 nan 0.000 0.532 243 S N 0.533 116.248 115.700 0.025 0.000 2.562 243 S HA 0.196 4.665 4.470 -0.000 0.000 0.221 243 S C 0.467 175.081 174.600 0.024 0.000 0.975 243 S CA -0.335 57.880 58.200 0.025 0.000 0.918 243 S CB -0.564 62.650 63.200 0.023 0.000 0.772 243 S HN 0.292 nan 8.310 nan 0.000 0.531 244 V N 3.520 123.445 119.914 0.019 0.000 2.446 244 V HA 0.178 4.298 4.120 -0.000 0.000 0.276 244 V C 0.154 176.250 176.094 0.002 0.000 1.030 244 V CA -0.129 62.178 62.300 0.011 0.000 1.033 244 V CB 0.489 32.314 31.823 0.002 0.000 0.993 244 V HN 0.373 nan 8.190 nan 0.000 0.477 245 D N 4.881 125.287 120.400 0.009 0.000 2.467 245 D HA 0.159 4.799 4.640 -0.000 0.000 0.220 245 D C 1.026 177.319 176.300 -0.011 0.000 1.103 245 D CA -0.568 53.441 54.000 0.013 0.000 0.886 245 D CB 1.192 42.014 40.800 0.037 0.000 1.025 245 D HN 0.513 nan 8.370 nan 0.000 0.514 246 I N 2.556 123.071 120.570 -0.092 0.000 2.335 246 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 246 I C 1.665 177.774 176.117 -0.013 0.000 1.129 246 I CA 1.331 62.553 61.300 -0.131 0.000 1.402 246 I CB -0.149 37.605 38.000 -0.410 0.000 1.069 246 I HN 0.107 nan 8.210 nan 0.000 0.424 247 K N 1.116 121.550 120.400 0.057 0.000 2.097 247 K HA -0.110 4.209 4.320 -0.000 0.000 0.205 247 K C 2.132 178.791 176.600 0.098 0.000 1.050 247 K CA 1.630 57.995 56.287 0.129 0.000 0.938 247 K CB -0.250 32.349 32.500 0.165 0.000 0.718 247 K HN 0.428 nan 8.250 nan 0.000 0.442 248 K N 0.646 121.091 120.400 0.075 0.000 2.103 248 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 248 K C 2.056 178.705 176.600 0.081 0.000 1.052 248 K CA 0.877 57.207 56.287 0.072 0.000 0.945 248 K CB 0.021 32.556 32.500 0.059 0.000 0.722 248 K HN -0.077 nan 8.250 nan 0.000 0.443 249 V N 1.588 121.544 119.914 0.069 0.000 2.358 249 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 249 V C 2.124 178.281 176.094 0.105 0.000 1.047 249 V CA 1.300 63.648 62.300 0.080 0.000 1.035 249 V CB -0.358 31.495 31.823 0.050 0.000 0.658 249 V HN 0.255 nan 8.190 nan 0.000 0.452 250 L N -0.496 120.787 121.223 0.101 0.000 2.056 250 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 250 L C 2.210 179.164 176.870 0.141 0.000 1.078 250 L CA 1.840 56.755 54.840 0.124 0.000 0.749 250 L CB -0.638 41.505 42.059 0.140 0.000 0.901 250 L HN 0.114 nan 8.230 nan 0.000 0.433 251 L N -0.299 121.000 121.223 0.126 0.000 2.046 251 L HA -0.192 4.147 4.340 -0.000 0.000 0.208 251 L C 2.620 179.574 176.870 0.140 0.000 1.077 251 L CA 1.818 56.729 54.840 0.119 0.000 0.747 251 L CB -1.428 40.685 42.059 0.090 0.000 0.896 251 L HN 0.435 nan 8.230 nan 0.000 0.432 252 E N 0.278 120.569 120.200 0.152 0.000 2.051 252 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 252 E C 2.292 179.081 176.600 0.315 0.000 0.991 252 E CA 1.507 58.027 56.400 0.200 0.000 0.799 252 E CB -0.163 29.657 29.700 0.200 0.000 0.748 252 E HN 0.373 nan 8.360 nan 0.000 0.449 253 M N -0.310 119.471 119.600 0.302 0.000 2.159 253 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 253 M C 2.192 178.724 176.300 0.386 0.000 1.063 253 M CA 1.383 56.911 55.300 0.381 0.000 1.110 253 M CB -0.260 32.473 32.600 0.221 0.000 1.374 253 M HN 0.004 nan 8.290 nan 0.000 0.411 254 R N 0.411 121.075 120.500 0.273 0.000 2.339 254 R HA -0.044 4.296 4.340 -0.000 0.000 0.199 254 R C 1.721 178.242 176.300 0.369 0.000 1.018 254 R CA 0.597 56.864 56.100 0.279 0.000 1.036 254 R CB -0.087 30.336 30.300 0.206 0.000 0.899 254 R HN 0.415 nan 8.270 nan 0.000 0.473 255 K N -0.575 119.969 120.400 0.240 0.000 2.288 255 K HA -0.047 4.273 4.320 -0.000 0.000 0.201 255 K C 0.965 177.636 176.600 0.119 0.000 1.048 255 K CA 1.014 57.374 56.287 0.122 0.000 0.956 255 K CB 0.181 32.512 32.500 -0.281 0.000 0.746 255 K HN 0.112 nan 8.250 nan 0.000 0.461 256 F N 0.015 120.246 119.950 0.468 0.000 2.656 256 F HA 0.198 4.725 4.527 -0.000 0.000 0.291 256 F C 0.779 176.705 175.800 0.210 0.000 1.122 256 F CA -0.101 58.110 58.000 0.352 0.000 1.427 256 F CB 0.504 39.626 39.000 0.204 0.000 1.125 256 F HN -0.212 nan 8.300 nan 0.000 0.583 257 R N 0.853 121.503 120.500 0.251 0.000 2.561 257 R HA 0.379 4.719 4.340 -0.000 0.000 0.266 257 R C -0.864 175.329 176.300 -0.179 0.000 1.091 257 R CA -0.730 55.244 56.100 -0.210 0.000 0.927 257 R CB 1.368 31.624 30.300 -0.073 0.000 1.240 257 R HN 0.107 nan 8.270 nan 0.000 0.449 258 M N 2.010 121.324 119.600 -0.477 0.000 2.245 258 M HA 0.378 4.858 4.480 -0.000 0.000 0.330 258 M C 0.925 177.207 176.300 -0.030 0.000 1.098 258 M CA 1.211 56.430 55.300 -0.135 0.000 1.172 258 M CB 0.741 33.247 32.600 -0.156 0.000 1.467 258 M HN 0.810 nan 8.290 nan 0.000 0.454 259 G N 2.282 111.110 108.800 0.047 0.000 2.203 259 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.263 259 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.263 259 G C -0.080 174.863 174.900 0.071 0.000 1.012 259 G CA 0.226 45.363 45.100 0.062 0.000 0.749 259 G HN 0.782 nan 8.290 nan 0.000 0.512 260 L N 0.651 121.920 121.223 0.077 0.000 2.513 260 L HA 0.309 4.649 4.340 -0.000 0.000 0.272 260 L C 0.939 177.884 176.870 0.125 0.000 1.187 260 L CA -0.243 54.640 54.840 0.072 0.000 0.895 260 L CB 0.150 42.258 42.059 0.082 0.000 1.147 260 L HN 0.273 nan 8.230 nan 0.000 0.483 261 I N 3.230 123.854 120.570 0.091 0.000 7.439 261 I HA -0.196 3.974 4.170 -0.000 0.000 0.126 261 I C 0.610 176.841 176.117 0.191 0.000 1.840 261 I CA 0.239 61.613 61.300 0.123 0.000 2.037 261 I CB -0.621 37.507 38.000 0.212 0.000 3.653 261 I HN 0.871 nan 8.210 nan 0.000 0.169 262 Q N 2.534 122.377 119.800 0.071 0.000 2.356 262 Q HA 0.148 4.488 4.340 -0.000 0.000 0.205 262 Q C 0.963 177.037 176.000 0.124 0.000 0.901 262 Q CA 1.141 57.033 55.803 0.148 0.000 0.938 262 Q CB 1.141 29.882 28.738 0.005 0.000 1.081 262 Q HN 0.889 nan 8.270 nan 0.000 0.517 263 T N -5.630 108.798 114.554 -0.210 0.000 2.868 263 T HA 0.618 4.968 4.350 -0.000 0.000 0.306 263 T C 0.692 174.874 174.700 -0.862 0.000 1.224 263 T CA -0.194 61.662 62.100 -0.407 0.000 1.012 263 T CB 1.519 70.332 68.868 -0.092 0.000 1.221 263 T HN -0.115 nan 8.240 nan 0.000 0.499 264 A N 0.608 122.984 122.820 -0.739 0.000 1.972 264 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 264 A C 1.851 179.284 177.584 -0.252 0.000 1.169 264 A CA 2.141 53.924 52.037 -0.424 0.000 0.635 264 A CB -1.178 17.820 19.000 -0.004 0.000 0.810 264 A HN 0.944 nan 8.150 nan 0.000 0.446 265 D N -0.884 119.384 120.400 -0.220 0.000 2.224 265 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 265 D C 2.139 178.351 176.300 -0.147 0.000 0.965 265 D CA 1.078 54.954 54.000 -0.208 0.000 0.852 265 D CB -0.113 40.609 40.800 -0.130 0.000 0.947 265 D HN 0.579 nan 8.370 nan 0.000 0.494 266 Q N -0.612 119.117 119.800 -0.118 0.000 2.167 266 Q HA -0.089 4.250 4.340 -0.000 0.000 0.202 266 Q C 1.979 177.993 176.000 0.023 0.000 0.970 266 Q CA 0.531 56.324 55.803 -0.016 0.000 0.855 266 Q CB 0.007 28.739 28.738 -0.009 0.000 0.911 266 Q HN 0.284 nan 8.270 nan 0.000 0.438 267 L N 0.972 122.175 121.223 -0.034 0.000 2.027 267 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 267 L C 2.341 179.251 176.870 0.066 0.000 1.074 267 L CA 1.806 56.718 54.840 0.120 0.000 0.745 267 L CB -0.416 41.795 42.059 0.252 0.000 0.898 267 L HN 0.023 nan 8.230 nan 0.000 0.433 268 R N -1.498 118.787 120.500 -0.357 0.000 2.096 268 R HA -0.241 4.099 4.340 -0.000 0.000 0.235 268 R C 2.355 178.502 176.300 -0.255 0.000 1.127 268 R CA 1.869 57.464 56.100 -0.841 0.000 0.968 268 R CB -0.595 28.860 30.300 -1.408 0.000 0.861 268 R HN 0.435 nan 8.270 nan 0.000 0.440 269 F N 1.109 120.900 119.950 -0.266 0.000 2.171 269 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 269 F C 2.117 177.791 175.800 -0.211 0.000 1.090 269 F CA 1.754 59.612 58.000 -0.236 0.000 1.293 269 F CB -0.167 38.672 39.000 -0.268 0.000 1.013 269 F HN -0.017 nan 8.300 nan 0.000 0.486 270 S N -0.428 115.237 115.700 -0.058 0.000 2.370 270 S HA -0.229 4.241 4.470 -0.000 0.000 0.226 270 S C 1.749 176.260 174.600 -0.148 0.000 1.033 270 S CA 1.511 59.634 58.200 -0.129 0.000 1.011 270 S CB -0.800 62.407 63.200 0.011 0.000 0.852 270 S HN 0.467 nan 8.310 nan 0.000 0.457 271 Y N 1.863 122.082 120.300 -0.135 0.000 2.128 271 Y HA -0.104 4.446 4.550 -0.000 0.000 0.284 271 Y C 2.205 177.940 175.900 -0.275 0.000 1.154 271 Y CA 1.046 59.107 58.100 -0.064 0.000 1.149 271 Y CB -0.631 37.954 38.460 0.207 0.000 0.976 271 Y HN 0.154 nan 8.280 nan 0.000 0.505 272 L N -1.100 119.954 121.223 -0.281 0.000 2.046 272 L HA -0.266 4.074 4.340 -0.000 0.000 0.208 272 L C 2.661 179.226 176.870 -0.509 0.000 1.077 272 L CA 1.184 55.724 54.840 -0.501 0.000 0.747 272 L CB -0.924 40.786 42.059 -0.583 0.000 0.896 272 L HN 0.227 nan 8.230 nan 0.000 0.432 273 A N -0.457 121.945 122.820 -0.696 0.000 1.902 273 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 273 A C 2.316 179.744 177.584 -0.261 0.000 1.181 273 A CA 1.727 53.425 52.037 -0.565 0.000 0.623 273 A CB -0.714 17.846 19.000 -0.733 0.000 0.818 273 A HN 0.205 nan 8.150 nan 0.000 0.443 274 V N 1.188 120.975 119.914 -0.212 0.000 2.379 274 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 274 V C 2.513 178.573 176.094 -0.057 0.000 1.044 274 V CA 1.733 63.976 62.300 -0.095 0.000 1.036 274 V CB -0.865 30.895 31.823 -0.104 0.000 0.664 274 V HN 0.748 nan 8.190 nan 0.000 0.453 275 I N -0.439 120.074 120.570 -0.096 0.000 2.226 275 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 275 I C 2.414 178.517 176.117 -0.024 0.000 1.100 275 I CA 2.279 63.543 61.300 -0.060 0.000 1.374 275 I CB -0.588 37.343 38.000 -0.115 0.000 1.057 275 I HN 0.322 nan 8.210 nan 0.000 0.413 276 E N 2.134 122.296 120.200 -0.064 0.000 2.047 276 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 276 E C 2.269 178.982 176.600 0.188 0.000 0.987 276 E CA 1.876 58.295 56.400 0.032 0.000 0.799 276 E CB -0.715 28.935 29.700 -0.084 0.000 0.752 276 E HN 0.498 nan 8.360 nan 0.000 0.449 277 G N 0.268 109.120 108.800 0.087 0.000 2.450 277 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 277 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 277 G C 1.696 176.797 174.900 0.336 0.000 1.130 277 G CA 1.022 46.266 45.100 0.239 0.000 0.760 277 G HN 0.452 nan 8.290 nan 0.000 0.557 278 A N 1.010 123.948 122.820 0.197 0.000 1.978 278 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 278 A C 2.298 179.976 177.584 0.156 0.000 1.170 278 A CA 1.943 54.075 52.037 0.159 0.000 0.636 278 A CB -0.330 18.721 19.000 0.086 0.000 0.810 278 A HN 0.415 nan 8.150 nan 0.000 0.448 279 K N -1.559 118.946 120.400 0.176 0.000 2.103 279 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 279 K C 1.802 178.453 176.600 0.085 0.000 1.048 279 K CA 1.665 58.019 56.287 0.112 0.000 0.930 279 K CB -0.383 32.184 32.500 0.111 0.000 0.716 279 K HN 0.593 nan 8.250 nan 0.000 0.444 280 F N 1.889 121.861 119.950 0.036 0.000 2.206 280 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 280 F C 1.895 177.711 175.800 0.027 0.000 1.090 280 F CA 0.913 58.881 58.000 -0.054 0.000 1.323 280 F CB 0.057 38.984 39.000 -0.122 0.000 1.028 280 F HN -0.154 nan 8.300 nan 0.000 0.492 281 I N 0.398 121.052 120.570 0.141 0.000 2.361 281 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 281 I C 1.773 177.846 176.117 -0.074 0.000 1.133 281 I CA 1.149 62.482 61.300 0.056 0.000 1.413 281 I CB -1.146 36.953 38.000 0.165 0.000 1.073 281 I HN 0.272 nan 8.210 nan 0.000 0.424 282 M N -0.237 119.327 119.600 -0.061 0.000 2.563 282 M HA 0.226 4.705 4.480 -0.000 0.000 0.231 282 M C 1.426 177.653 176.300 -0.122 0.000 1.136 282 M CA 0.418 55.677 55.300 -0.069 0.000 1.026 282 M CB -0.799 31.785 32.600 -0.026 0.000 1.597 282 M HN 0.413 nan 8.290 nan 0.000 0.495 283 G N 0.323 108.989 108.800 -0.224 0.000 2.168 283 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.197 283 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.197 283 G C -0.110 174.662 174.900 -0.213 0.000 0.997 283 G CA -0.119 44.838 45.100 -0.239 0.000 0.658 283 G HN 0.437 nan 8.290 nan 0.000 0.513 284 D N 1.543 121.825 120.400 -0.196 0.000 2.338 284 D HA 0.407 5.047 4.640 -0.000 0.000 0.255 284 D C 1.749 177.951 176.300 -0.163 0.000 1.237 284 D CA 0.557 54.470 54.000 -0.146 0.000 0.883 284 D CB 0.897 41.633 40.800 -0.108 0.000 1.087 284 D HN 0.330 nan 8.370 nan 0.000 0.485 285 S N 1.402 117.023 115.700 -0.132 0.000 2.603 285 S HA -0.071 4.399 4.470 -0.000 0.000 0.220 285 S C 1.444 175.979 174.600 -0.108 0.000 0.967 285 S CA 0.403 58.542 58.200 -0.102 0.000 0.920 285 S CB -0.034 63.118 63.200 -0.080 0.000 0.773 285 S HN 0.363 nan 8.310 nan 0.000 0.529 286 S N 0.806 116.420 115.700 -0.144 0.000 2.520 286 S HA 0.105 4.575 4.470 -0.000 0.000 0.219 286 S C 1.726 176.158 174.600 -0.280 0.000 1.028 286 S CA 0.301 58.403 58.200 -0.164 0.000 0.921 286 S CB -0.467 62.663 63.200 -0.118 0.000 0.844 286 S HN 0.579 nan 8.310 nan 0.000 0.495 287 V N 0.343 120.012 119.914 -0.407 0.000 2.427 287 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 287 V C 2.633 177.935 176.094 -1.318 0.000 1.051 287 V CA 2.038 63.868 62.300 -0.783 0.000 1.048 287 V CB -1.555 29.786 31.823 -0.803 0.000 0.666 287 V HN 0.523 nan 8.190 nan 0.000 0.456 288 Q N 1.175 120.327 119.800 -1.081 0.000 2.077 288 Q HA -0.304 4.036 4.340 -0.000 0.000 0.206 288 Q C 1.933 177.702 176.000 -0.385 0.000 0.989 288 Q CA 2.857 58.142 55.803 -0.863 0.000 0.853 288 Q CB -0.301 28.125 28.738 -0.521 0.000 0.907 288 Q HN 0.841 nan 8.270 nan 0.000 0.418 289 D N -0.322 119.911 120.400 -0.277 0.000 2.117 289 D HA -0.213 4.426 4.640 -0.000 0.000 0.198 289 D C 1.809 178.047 176.300 -0.104 0.000 0.982 289 D CA 1.281 55.204 54.000 -0.129 0.000 0.828 289 D CB -0.181 40.559 40.800 -0.101 0.000 0.967 289 D HN 0.355 nan 8.370 nan 0.000 0.464 290 Q N -0.141 119.549 119.800 -0.184 0.000 2.096 290 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 290 Q C 1.456 177.478 176.000 0.036 0.000 0.982 290 Q CA 1.263 57.008 55.803 -0.097 0.000 0.850 290 Q CB -0.076 28.581 28.738 -0.136 0.000 0.901 290 Q HN 0.369 nan 8.270 nan 0.000 0.422 291 W N 1.333 122.596 121.300 -0.062 0.000 2.338 291 W HA -0.138 4.522 4.660 -0.000 0.000 0.304 291 W C 2.234 178.730 176.519 -0.039 0.000 1.212 291 W CA 1.145 58.455 57.345 -0.058 0.000 1.264 291 W CB -0.946 28.469 29.460 -0.075 0.000 1.142 291 W HN 0.276 nan 8.180 nan 0.000 0.512 292 K N 0.489 121.009 120.400 0.200 0.000 2.032 292 K HA -0.204 4.115 4.320 -0.000 0.000 0.209 292 K C 1.846 178.484 176.600 0.064 0.000 1.048 292 K CA 1.741 58.116 56.287 0.148 0.000 0.927 292 K CB -0.125 32.443 32.500 0.112 0.000 0.712 292 K HN -0.105 nan 8.250 nan 0.000 0.441 293 E N 0.929 121.138 120.200 0.015 0.000 2.051 293 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 293 E C 2.172 178.606 176.600 -0.275 0.000 0.991 293 E CA 1.059 57.431 56.400 -0.047 0.000 0.799 293 E CB -0.268 29.425 29.700 -0.013 0.000 0.748 293 E HN 0.379 nan 8.360 nan 0.000 0.449 294 L N 1.386 122.488 121.223 -0.202 0.000 2.131 294 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 294 L C 2.566 179.160 176.870 -0.460 0.000 1.092 294 L CA 1.448 56.101 54.840 -0.313 0.000 0.759 294 L CB -0.432 41.590 42.059 -0.061 0.000 0.903 294 L HN 0.142 nan 8.230 nan 0.000 0.435 295 S N -2.126 113.437 115.700 -0.229 0.000 2.489 295 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 295 S C 0.650 175.243 174.600 -0.011 0.000 0.995 295 S CA 0.102 58.220 58.200 -0.136 0.000 0.934 295 S CB -0.524 62.750 63.200 0.122 0.000 0.771 295 S HN 0.605 nan 8.310 nan 0.000 0.522 296 H N 1.828 120.969 119.070 0.118 0.000 2.626 296 H HA -0.160 4.395 4.556 -0.000 0.000 0.317 296 H C 1.132 176.564 175.328 0.173 0.000 1.140 296 H CA 0.774 56.888 56.048 0.110 0.000 1.134 296 H CB -1.797 28.001 29.762 0.061 0.000 1.486 296 H HN 0.873 nan 8.280 nan 0.000 0.417 297 E N -0.332 120.053 120.200 0.310 0.000 2.268 297 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 297 E C 0.374 177.027 176.600 0.089 0.000 0.995 297 E CA 0.927 57.484 56.400 0.262 0.000 0.836 297 E CB 0.351 30.210 29.700 0.265 0.000 0.763 297 E HN 0.497 nan 8.360 nan 0.000 0.491 298 D N 0.324 120.785 120.400 0.102 0.000 2.451 298 D HA 0.513 5.153 4.640 -0.000 0.000 0.259 298 D C 0.387 176.715 176.300 0.046 0.000 1.201 298 D CA 0.637 54.666 54.000 0.049 0.000 1.028 298 D CB 1.526 42.359 40.800 0.054 0.000 1.095 298 D HN 0.229 nan 8.370 nan 0.000 0.539 299 L N 0.000 121.235 121.223 0.021 0.000 2.949 299 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 299 L CA 0.000 nan 54.840 nan 0.000 0.813 299 L CB 0.000 nan 42.059 nan 0.000 0.961 299 L HN 0.000 nan 8.230 nan 0.000 0.502