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 2jc1_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSASLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGVQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AXXXXXXXXW DATA SEQUENCE FVAGYSGGDI YH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.578 174.600 -0.037 0.000 1.055 1 S CA 0.000 58.182 58.200 -0.031 0.000 1.107 1 S CB 0.000 63.178 63.200 -0.036 0.000 0.593 2 M N 3.754 123.325 119.600 -0.048 0.000 2.211 2 M HA 0.254 4.734 4.480 -0.001 0.000 0.356 2 M C 1.923 178.131 176.300 -0.154 0.000 1.216 2 M CA -0.035 55.229 55.300 -0.061 0.000 1.134 2 M CB 0.832 33.415 32.600 -0.029 0.000 1.564 2 M HN 0.847 nan 8.290 nan 0.000 0.463 3 S N 2.699 118.256 115.700 -0.240 0.000 2.400 3 S HA -0.096 4.374 4.470 -0.001 0.000 0.232 3 S C 0.125 174.348 174.600 -0.629 0.000 1.025 3 S CA 1.004 58.947 58.200 -0.427 0.000 0.993 3 S CB -0.181 62.702 63.200 -0.529 0.000 0.808 3 S HN 0.655 nan 8.310 nan 0.000 0.478 4 Y N 0.487 120.625 120.300 -0.269 0.000 2.597 4 Y HA 0.547 5.096 4.550 -0.001 0.000 0.340 4 Y C -0.070 175.521 175.900 -0.516 0.000 1.097 4 Y CA -0.872 56.940 58.100 -0.480 0.000 1.037 4 Y CB 1.924 39.917 38.460 -0.778 0.000 1.305 4 Y HN 0.124 nan 8.280 nan 0.000 0.463 5 T N -2.522 111.770 114.554 -0.436 0.000 2.907 5 T HA 0.712 5.061 4.350 -0.001 0.000 0.292 5 T C -1.385 172.994 174.700 -0.535 0.000 1.043 5 T CA -0.855 61.033 62.100 -0.353 0.000 1.003 5 T CB 1.404 70.202 68.868 -0.118 0.000 1.084 5 T HN 0.544 nan 8.240 nan 0.000 0.483 6 W N 0.661 122.017 121.300 0.094 0.000 2.819 6 W HA 0.471 5.130 4.660 -0.001 0.000 0.337 6 W C 1.402 177.951 176.519 0.050 0.000 1.077 6 W CA -0.791 56.593 57.345 0.064 0.000 1.226 6 W CB 2.165 31.645 29.460 0.034 0.000 1.419 6 W HN 0.936 nan 8.180 nan 0.000 0.502 7 T N -2.163 112.568 114.554 0.296 0.000 3.035 7 T HA 0.285 4.634 4.350 -0.001 0.000 0.259 7 T C 1.492 176.279 174.700 0.145 0.000 1.078 7 T CA 1.032 63.236 62.100 0.173 0.000 1.132 7 T CB -0.024 68.924 68.868 0.133 0.000 0.900 7 T HN 1.219 nan 8.240 nan 0.000 0.480 8 G N 1.283 110.177 108.800 0.156 0.000 2.218 8 G HA2 0.035 3.994 3.960 -0.001 0.000 0.216 8 G HA3 0.035 3.994 3.960 -0.001 0.000 0.216 8 G C 0.354 175.283 174.900 0.049 0.000 0.994 8 G CA -0.119 45.028 45.100 0.078 0.000 0.637 8 G HN 1.108 nan 8.290 nan 0.000 0.505 9 A N 0.928 123.789 122.820 0.069 0.000 2.498 9 A HA 0.629 4.949 4.320 -0.001 0.000 0.239 9 A C 0.832 178.429 177.584 0.023 0.000 1.068 9 A CA 0.215 52.279 52.037 0.046 0.000 0.766 9 A CB 0.187 19.221 19.000 0.057 0.000 1.003 9 A HN 0.869 nan 8.150 nan 0.000 0.497 10 L N 1.849 123.073 121.223 0.001 0.000 2.418 10 L HA 0.277 4.617 4.340 -0.001 0.000 0.265 10 L C 0.103 176.960 176.870 -0.021 0.000 1.143 10 L CA -0.286 54.537 54.840 -0.028 0.000 0.809 10 L CB 0.651 42.695 42.059 -0.024 0.000 1.124 10 L HN 0.559 nan 8.230 nan 0.000 0.456 11 I N 1.663 122.202 120.570 -0.050 0.000 2.379 11 I HA 0.084 4.254 4.170 -0.001 0.000 0.290 11 I C 0.408 176.517 176.117 -0.013 0.000 1.063 11 I CA -0.003 61.280 61.300 -0.029 0.000 1.351 11 I CB 0.893 38.858 38.000 -0.059 0.000 1.410 11 I HN 0.649 nan 8.210 nan 0.000 0.505 12 T N 5.012 119.569 114.554 0.004 0.000 2.895 12 T HA 0.570 4.919 4.350 -0.001 0.000 0.283 12 T C -2.470 172.243 174.700 0.022 0.000 1.014 12 T CA -2.090 60.016 62.100 0.010 0.000 1.037 12 T CB 1.704 70.578 68.868 0.010 0.000 1.006 12 T HN 0.241 nan 8.240 nan 0.000 0.468 13 P HA 0.255 nan 4.420 nan 0.000 0.276 13 P C 0.655 177.976 177.300 0.034 0.000 1.252 13 P CA -0.748 62.373 63.100 0.035 0.000 0.802 13 P CB 0.577 32.297 31.700 0.035 0.000 1.035 14 C N -0.800 118.525 119.300 0.041 0.000 3.000 14 C HA 0.833 5.293 4.460 -0.001 0.000 0.286 14 C C 0.456 175.465 174.990 0.031 0.000 1.343 14 C CA -0.271 58.769 59.018 0.036 0.000 1.742 14 C CB -1.246 26.523 27.740 0.047 0.000 2.200 14 C HN 0.712 nan 8.230 nan 0.000 0.621 15 A N 0.162 123.003 122.820 0.034 0.000 2.567 15 A HA 0.744 5.063 4.320 -0.001 0.000 0.291 15 A C -0.412 177.197 177.584 0.041 0.000 1.048 15 A CA 0.094 52.152 52.037 0.035 0.000 0.661 15 A CB -0.373 18.649 19.000 0.037 0.000 1.288 15 A HN 1.590 nan 8.150 nan 0.000 0.424 16 A N 0.385 123.231 122.820 0.044 0.000 2.498 16 A HA 0.522 4.841 4.320 -0.001 0.000 0.239 16 A C 0.083 177.708 177.584 0.069 0.000 1.068 16 A CA 0.524 52.592 52.037 0.051 0.000 0.766 16 A CB -0.164 18.866 19.000 0.049 0.000 1.003 16 A HN 0.645 nan 8.150 nan 0.000 0.497 17 E N 1.297 121.543 120.200 0.076 0.000 2.165 17 E HA 0.290 4.639 4.350 -0.001 0.000 0.266 17 E C -0.984 175.696 176.600 0.133 0.000 0.889 17 E CA -0.363 56.096 56.400 0.098 0.000 0.756 17 E CB 1.648 31.396 29.700 0.080 0.000 1.131 17 E HN 0.739 nan 8.360 nan 0.000 0.411 18 E N 1.140 121.460 120.200 0.200 0.000 2.227 18 E HA 0.112 4.462 4.350 -0.001 0.000 0.282 18 E C 0.297 177.122 176.600 0.375 0.000 1.015 18 E CA -0.104 56.463 56.400 0.277 0.000 0.823 18 E CB 1.233 31.148 29.700 0.358 0.000 1.081 18 E HN 0.547 nan 8.360 nan 0.000 0.396 19 S N 2.783 118.678 115.700 0.325 0.000 2.514 19 S HA 0.039 4.509 4.470 -0.001 0.000 0.223 19 S C 0.688 175.559 174.600 0.451 0.000 1.046 19 S CA -0.162 58.252 58.200 0.356 0.000 0.914 19 S CB 0.283 63.625 63.200 0.236 0.000 0.807 19 S HN 0.309 nan 8.310 nan 0.000 0.497 20 K N 1.454 122.046 120.400 0.320 0.000 2.172 20 K HA 0.390 4.709 4.320 -0.001 0.000 0.276 20 K C -0.625 176.006 176.600 0.052 0.000 1.013 20 K CA -0.932 55.483 56.287 0.213 0.000 0.913 20 K CB 0.764 33.325 32.500 0.101 0.000 1.055 20 K HN 0.205 nan 8.250 nan 0.000 0.461 21 L N 6.904 128.149 121.223 0.037 0.000 2.615 21 L HA 0.140 4.480 4.340 -0.001 0.000 0.271 21 L C -2.338 174.252 176.870 -0.467 0.000 1.183 21 L CA -0.850 53.812 54.840 -0.297 0.000 0.933 21 L CB 0.013 42.056 42.059 -0.026 0.000 1.199 21 L HN 0.570 nan 8.230 nan 0.000 0.487 22 P HA 0.197 nan 4.420 nan 0.000 0.269 22 P C -1.008 176.044 177.300 -0.414 0.000 1.209 22 P CA -0.009 62.777 63.100 -0.523 0.000 0.776 22 P CB 0.565 31.897 31.700 -0.612 0.000 0.876 23 I N 2.627 123.013 120.570 -0.306 0.000 2.498 23 I HA 0.350 4.519 4.170 -0.001 0.000 0.290 23 I C 0.343 176.348 176.117 -0.186 0.000 1.032 23 I CA -0.727 60.402 61.300 -0.285 0.000 1.073 23 I CB 1.531 39.343 38.000 -0.313 0.000 1.251 23 I HN 0.471 nan 8.210 nan 0.000 0.426 24 N N 4.349 122.959 118.700 -0.150 0.000 3.294 24 N HA 0.485 5.225 4.740 -0.001 0.000 0.355 24 N C 0.522 175.992 175.510 -0.065 0.000 1.497 24 N CA -0.365 52.626 53.050 -0.099 0.000 0.707 24 N CB 0.376 38.805 38.487 -0.097 0.000 1.732 24 N HN 0.382 nan 8.380 nan 0.000 0.640 25 A N -0.685 122.107 122.820 -0.047 0.000 2.119 25 A HA 0.153 4.473 4.320 -0.001 0.000 0.217 25 A C 1.774 179.347 177.584 -0.019 0.000 1.153 25 A CA 0.745 52.765 52.037 -0.029 0.000 0.692 25 A CB -0.935 18.049 19.000 -0.026 0.000 0.799 25 A HN 0.535 nan 8.150 nan 0.000 0.458 26 L N -1.080 120.129 121.223 -0.022 0.000 2.477 26 L HA 0.013 4.353 4.340 -0.001 0.000 0.220 26 L C 2.428 179.332 176.870 0.055 0.000 1.106 26 L CA 0.504 55.349 54.840 0.008 0.000 0.851 26 L CB -0.314 41.730 42.059 -0.024 0.000 0.994 26 L HN 0.222 nan 8.230 nan 0.000 0.462 27 S N 0.816 116.524 115.700 0.014 0.000 2.359 27 S HA -0.174 4.296 4.470 -0.001 0.000 0.223 27 S C 1.727 176.384 174.600 0.096 0.000 1.039 27 S CA 1.676 59.887 58.200 0.018 0.000 1.042 27 S CB -0.299 62.839 63.200 -0.103 0.000 0.915 27 S HN 0.465 nan 8.310 nan 0.000 0.439 28 N N 1.390 120.158 118.700 0.113 0.000 2.289 28 N HA -0.059 4.681 4.740 -0.001 0.000 0.184 28 N C 1.930 177.470 175.510 0.051 0.000 1.016 28 N CA 1.225 54.347 53.050 0.120 0.000 0.872 28 N CB -0.540 37.999 38.487 0.087 0.000 0.973 28 N HN 0.579 nan 8.380 nan 0.000 0.433 29 S N -0.214 115.512 115.700 0.044 0.000 2.423 29 S HA -0.071 4.399 4.470 -0.001 0.000 0.231 29 S C 1.804 176.436 174.600 0.053 0.000 1.014 29 S CA 0.563 58.772 58.200 0.014 0.000 0.965 29 S CB -0.199 63.023 63.200 0.037 0.000 0.785 29 S HN 0.242 nan 8.310 nan 0.000 0.495 30 L N -0.119 121.145 121.223 0.068 0.000 2.286 30 L HA 0.594 4.933 4.340 -0.001 0.000 0.203 30 L C 0.175 177.094 176.870 0.082 0.000 1.068 30 L CA 0.897 55.765 54.840 0.047 0.000 0.811 30 L CB 0.151 41.993 42.059 -0.362 0.000 0.989 30 L HN 0.514 nan 8.230 nan 0.000 0.467 31 L N -1.035 120.228 121.223 0.066 0.000 2.543 31 L HA 0.364 4.703 4.340 -0.001 0.000 0.265 31 L C 0.378 177.279 176.870 0.051 0.000 0.945 31 L CA -0.321 54.552 54.840 0.056 0.000 0.869 31 L CB 1.572 43.686 42.059 0.093 0.000 1.294 31 L HN -0.033 nan 8.230 nan 0.000 0.405 32 R N 1.010 121.422 120.500 -0.148 0.000 2.175 32 R HA 0.195 4.535 4.340 -0.001 0.000 0.202 32 R C -0.011 176.039 176.300 -0.417 0.000 1.018 32 R CA 0.264 56.170 56.100 -0.324 0.000 1.029 32 R CB 0.197 30.336 30.300 -0.269 0.000 0.959 32 R HN 0.614 nan 8.270 nan 0.000 0.480 33 H N 0.369 119.335 119.070 -0.173 0.000 2.855 33 H HA 0.083 4.639 4.556 -0.001 0.000 0.238 33 H C 0.338 175.665 175.328 -0.002 0.000 1.847 33 H CA -0.308 55.676 56.048 -0.107 0.000 1.368 33 H CB 0.123 29.872 29.762 -0.022 0.000 1.758 33 H HN 0.340 nan 8.280 nan 0.000 0.546 34 H N 0.551 119.713 119.070 0.154 0.000 2.423 34 H HA -0.104 4.451 4.556 -0.001 0.000 0.297 34 H C 1.399 176.803 175.328 0.127 0.000 1.075 34 H CA 0.390 56.505 56.048 0.111 0.000 1.342 34 H CB 0.383 30.185 29.762 0.066 0.000 1.395 34 H HN 0.469 nan 8.280 nan 0.000 0.530 35 N N 0.252 119.084 118.700 0.218 0.000 2.550 35 N HA -0.045 4.694 4.740 -0.001 0.000 0.186 35 N C 1.187 176.801 175.510 0.173 0.000 1.110 35 N CA 0.706 53.856 53.050 0.166 0.000 0.912 35 N CB 0.088 38.634 38.487 0.099 0.000 0.968 35 N HN 0.482 nan 8.380 nan 0.000 0.448 36 M N -0.442 119.274 119.600 0.195 0.000 2.514 36 M HA 0.088 4.568 4.480 -0.001 0.000 0.258 36 M C -0.014 176.459 176.300 0.288 0.000 1.119 36 M CA 0.370 55.794 55.300 0.207 0.000 1.111 36 M CB 0.629 33.336 32.600 0.177 0.000 1.390 36 M HN -0.240 nan 8.290 nan 0.000 0.475 37 V N 1.261 121.352 119.914 0.295 0.000 2.427 37 V HA 0.336 4.455 4.120 -0.001 0.000 0.286 37 V C -0.781 175.561 176.094 0.413 0.000 1.034 37 V CA -0.700 61.781 62.300 0.302 0.000 0.893 37 V CB 0.672 32.656 31.823 0.267 0.000 0.982 37 V HN 0.321 nan 8.190 nan 0.000 0.452 38 Y N 2.495 122.953 120.300 0.263 0.000 2.625 38 Y HA 0.915 5.465 4.550 -0.001 0.000 0.338 38 Y C -0.449 175.538 175.900 0.146 0.000 1.123 38 Y CA -1.464 56.798 58.100 0.271 0.000 1.046 38 Y CB 1.461 40.036 38.460 0.191 0.000 1.299 38 Y HN 0.702 nan 8.280 nan 0.000 0.464 39 A N 1.319 124.206 122.820 0.112 0.000 2.340 39 A HA 0.693 5.013 4.320 -0.001 0.000 0.331 39 A C -0.045 177.648 177.584 0.182 0.000 1.140 39 A CA -0.341 51.588 52.037 -0.180 0.000 0.801 39 A CB 0.541 19.208 19.000 -0.555 0.000 1.234 39 A HN 1.126 nan 8.150 nan 0.000 0.469 40 T N -0.173 114.474 114.554 0.154 0.000 2.898 40 T HA 0.567 4.917 4.350 -0.001 0.000 0.301 40 T C 0.354 175.120 174.700 0.111 0.000 1.049 40 T CA 0.419 62.648 62.100 0.216 0.000 1.095 40 T CB 0.722 69.729 68.868 0.232 0.000 0.976 40 T HN 1.490 nan 8.240 nan 0.000 0.539 41 T N -1.934 112.683 114.554 0.105 0.000 2.838 41 T HA 0.473 4.823 4.350 -0.001 0.000 0.292 41 T C 1.397 176.128 174.700 0.051 0.000 1.113 41 T CA -0.238 61.906 62.100 0.073 0.000 1.008 41 T CB 1.216 70.131 68.868 0.079 0.000 1.259 41 T HN 0.810 nan 8.240 nan 0.000 0.520 42 S N 0.144 115.867 115.700 0.038 0.000 2.465 42 S HA -0.163 4.307 4.470 -0.001 0.000 0.241 42 S C 1.750 176.351 174.600 0.002 0.000 1.000 42 S CA 0.636 58.846 58.200 0.016 0.000 0.964 42 S CB -0.739 62.469 63.200 0.014 0.000 0.763 42 S HN 0.727 nan 8.310 nan 0.000 0.512 43 R N 1.420 121.929 120.500 0.014 0.000 2.193 43 R HA -0.027 4.313 4.340 -0.001 0.000 0.229 43 R C 2.153 178.447 176.300 -0.011 0.000 1.110 43 R CA 1.415 57.517 56.100 0.003 0.000 0.988 43 R CB -0.410 29.899 30.300 0.016 0.000 0.871 43 R HN 0.735 nan 8.270 nan 0.000 0.458 44 S N -0.960 114.738 115.700 -0.004 0.000 2.557 44 S HA 0.240 4.710 4.470 -0.001 0.000 0.223 44 S C 1.713 176.287 174.600 -0.043 0.000 0.969 44 S CA 0.125 58.315 58.200 -0.018 0.000 0.927 44 S CB 0.904 64.106 63.200 0.004 0.000 0.806 44 S HN 0.257 nan 8.310 nan 0.000 0.489 45 A N 2.140 124.925 122.820 -0.059 0.000 1.940 45 A HA 0.089 4.408 4.320 -0.001 0.000 0.219 45 A C 2.625 180.101 177.584 -0.180 0.000 1.176 45 A CA 2.034 54.007 52.037 -0.105 0.000 0.631 45 A CB -1.697 17.238 19.000 -0.109 0.000 0.814 45 A HN 0.834 nan 8.150 nan 0.000 0.446 46 S N -0.011 115.586 115.700 -0.172 0.000 2.374 46 S HA -0.135 4.335 4.470 -0.001 0.000 0.227 46 S C 1.965 176.468 174.600 -0.163 0.000 1.037 46 S CA 1.746 59.825 58.200 -0.203 0.000 1.024 46 S CB -0.574 nan 63.200 nan 0.000 0.861 46 S HN 0.435 nan 8.310 nan 0.000 0.456 47 L N -0.026 121.135 121.223 -0.102 0.000 2.046 47 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 47 L C 2.798 179.633 176.870 -0.059 0.000 1.077 47 L CA 1.410 56.209 54.840 -0.067 0.000 0.747 47 L CB -0.198 41.835 42.059 -0.044 0.000 0.896 47 L HN 0.359 nan 8.230 nan 0.000 0.432 48 R N 0.249 120.706 120.500 -0.071 0.000 2.075 48 R HA -0.144 4.195 4.340 -0.001 0.000 0.232 48 R C 2.212 178.466 176.300 -0.075 0.000 1.126 48 R CA 1.474 57.547 56.100 -0.045 0.000 0.963 48 R CB -0.397 29.881 30.300 -0.037 0.000 0.858 48 R HN 0.345 nan 8.270 nan 0.000 0.435 49 Q N 0.130 119.800 119.800 -0.216 0.000 2.112 49 Q HA -0.221 4.119 4.340 -0.001 0.000 0.206 49 Q C 1.950 177.897 176.000 -0.089 0.000 0.987 49 Q CA 2.285 57.873 55.803 -0.359 0.000 0.858 49 Q CB -0.120 28.090 28.738 -0.880 0.000 0.905 49 Q HN 0.348 nan 8.270 nan 0.000 0.420 50 K N 0.476 120.839 120.400 -0.062 0.000 2.097 50 K HA -0.115 4.205 4.320 -0.001 0.000 0.205 50 K C 1.998 178.678 176.600 0.135 0.000 1.050 50 K CA 1.049 57.364 56.287 0.047 0.000 0.938 50 K CB 0.033 32.542 32.500 0.015 0.000 0.718 50 K HN 0.098 nan 8.250 nan 0.000 0.442 51 K N 0.623 121.093 120.400 0.117 0.000 2.097 51 K HA -0.091 4.229 4.320 -0.001 0.000 0.205 51 K C 2.035 178.839 176.600 0.338 0.000 1.050 51 K CA 1.558 57.956 56.287 0.184 0.000 0.938 51 K CB -0.059 32.517 32.500 0.127 0.000 0.718 51 K HN 0.132 nan 8.250 nan 0.000 0.442 52 V N -1.292 118.786 119.914 0.273 0.000 3.541 52 V HA 0.041 4.160 4.120 -0.001 0.000 0.267 52 V C 0.471 176.677 176.094 0.187 0.000 1.213 52 V CA 0.364 62.836 62.300 0.287 0.000 1.149 52 V CB -0.121 31.823 31.823 0.203 0.000 0.822 52 V HN -0.031 nan 8.190 nan 0.000 0.462 53 T N 4.264 118.994 114.554 0.294 0.000 2.781 53 T HA 0.716 5.065 4.350 -0.001 0.000 0.305 53 T C -0.768 174.102 174.700 0.284 0.000 1.001 53 T CA -0.055 62.209 62.100 0.272 0.000 0.950 53 T CB 0.205 69.350 68.868 0.460 0.000 0.955 53 T HN 0.610 nan 8.240 nan 0.000 0.471 54 F N -0.172 119.882 119.950 0.173 0.000 2.741 54 F HA 0.676 5.202 4.527 -0.001 0.000 0.313 54 F C -0.996 174.843 175.800 0.066 0.000 1.153 54 F CA -1.718 56.344 58.000 0.105 0.000 0.931 54 F CB 0.682 39.734 39.000 0.087 0.000 1.335 54 F HN 0.185 nan 8.300 nan 0.000 0.460 55 D N 0.639 121.228 120.400 0.314 0.000 2.302 55 D HA 0.466 5.105 4.640 -0.001 0.000 0.248 55 D C -0.884 175.562 176.300 0.244 0.000 1.094 55 D CA -0.007 54.100 54.000 0.180 0.000 0.897 55 D CB 0.862 41.734 40.800 0.120 0.000 1.200 55 D HN 0.542 nan 8.370 nan 0.000 0.429 56 R N 2.293 122.871 120.500 0.130 0.000 2.445 56 R HA 0.587 4.927 4.340 -0.001 0.000 0.308 56 R C -0.789 175.544 176.300 0.055 0.000 0.961 56 R CA -0.514 55.657 56.100 0.118 0.000 0.862 56 R CB 1.130 31.468 30.300 0.063 0.000 1.144 56 R HN 0.388 nan 8.270 nan 0.000 0.447 57 L N 1.982 123.233 121.223 0.046 0.000 2.346 57 L HA 0.546 4.886 4.340 -0.001 0.000 0.274 57 L C -0.278 176.593 176.870 0.002 0.000 1.007 57 L CA -0.719 54.129 54.840 0.015 0.000 0.818 57 L CB 2.009 44.073 42.059 0.009 0.000 1.284 57 L HN 0.417 nan 8.230 nan 0.000 0.424 58 Q N 1.625 121.415 119.800 -0.016 0.000 2.305 58 Q HA 0.578 4.918 4.340 -0.001 0.000 0.271 58 Q C -1.703 174.273 176.000 -0.041 0.000 1.046 58 Q CA -0.542 55.243 55.803 -0.031 0.000 0.798 58 Q CB 3.409 32.113 28.738 -0.057 0.000 1.286 58 Q HN 0.357 nan 8.270 nan 0.000 0.435 59 V N 4.810 124.706 119.914 -0.030 0.000 2.409 59 V HA 0.447 4.567 4.120 -0.001 0.000 0.290 59 V C -0.794 175.301 176.094 0.002 0.000 1.017 59 V CA -0.531 61.752 62.300 -0.027 0.000 0.841 59 V CB 1.460 33.265 31.823 -0.030 0.000 1.003 59 V HN 0.628 nan 8.190 nan 0.000 0.426 60 L N 5.630 126.818 121.223 -0.060 0.000 2.305 60 L HA 0.645 4.985 4.340 -0.001 0.000 0.284 60 L C -0.271 176.611 176.870 0.019 0.000 1.013 60 L CA -0.589 54.174 54.840 -0.129 0.000 0.819 60 L CB 1.720 43.532 42.059 -0.413 0.000 1.227 60 L HN 0.685 nan 8.230 nan 0.000 0.417 61 D N 0.455 120.942 120.400 0.145 0.000 2.588 61 D HA 0.152 4.792 4.640 -0.001 0.000 0.268 61 D C 0.298 176.665 176.300 0.112 0.000 1.176 61 D CA -0.612 53.457 54.000 0.115 0.000 1.080 61 D CB 0.847 41.722 40.800 0.125 0.000 1.186 61 D HN 0.309 nan 8.370 nan 0.000 0.619 62 D N -1.051 119.353 120.400 0.006 0.000 2.117 62 D HA -0.164 4.475 4.640 -0.001 0.000 0.197 62 D C 1.807 178.104 176.300 -0.006 0.000 0.987 62 D CA 1.190 55.166 54.000 -0.039 0.000 0.829 62 D CB -0.177 40.546 40.800 -0.127 0.000 0.961 62 D HN 0.428 nan 8.370 nan 0.000 0.460 63 H N -0.103 119.032 119.070 0.109 0.000 2.319 63 H HA -0.180 4.376 4.556 -0.001 0.000 0.297 63 H C 2.086 177.452 175.328 0.064 0.000 1.097 63 H CA 1.102 57.207 56.048 0.095 0.000 1.285 63 H CB -0.834 29.007 29.762 0.132 0.000 1.368 63 H HN 0.331 nan 8.280 nan 0.000 0.495 64 Y N 1.963 122.298 120.300 0.059 0.000 2.097 64 Y HA -0.258 4.291 4.550 -0.000 0.000 0.282 64 Y C 2.733 178.582 175.900 -0.086 0.000 1.152 64 Y CA 1.805 59.811 58.100 -0.156 0.000 1.136 64 Y CB -0.132 38.124 38.460 -0.340 0.000 0.975 64 Y HN -0.029 nan 8.280 nan 0.000 0.498 65 R N 0.017 120.561 120.500 0.073 0.000 2.115 65 R HA -0.147 4.193 4.340 -0.001 0.000 0.230 65 R C 1.774 178.040 176.300 -0.057 0.000 1.111 65 R CA 1.336 57.426 56.100 -0.017 0.000 0.976 65 R CB -0.337 30.002 30.300 0.065 0.000 0.870 65 R HN 0.425 nan 8.270 nan 0.000 0.445 66 D N 0.198 120.590 120.400 -0.013 0.000 2.104 66 D HA -0.131 4.508 4.640 -0.001 0.000 0.194 66 D C 1.968 178.252 176.300 -0.028 0.000 0.994 66 D CA 1.150 55.150 54.000 0.000 0.000 0.830 66 D CB -0.208 40.625 40.800 0.056 0.000 0.959 66 D HN 0.001 nan 8.370 nan 0.000 0.452 67 V N 1.056 120.935 119.914 -0.059 0.000 2.358 67 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 67 V C 2.459 178.485 176.094 -0.112 0.000 1.047 67 V CA 0.947 63.201 62.300 -0.076 0.000 1.035 67 V CB -0.465 31.291 31.823 -0.113 0.000 0.658 67 V HN 0.128 nan 8.190 nan 0.000 0.452 68 L N 0.597 121.681 121.223 -0.232 0.000 2.012 68 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 68 L C 2.430 179.230 176.870 -0.116 0.000 1.073 68 L CA 2.225 56.928 54.840 -0.228 0.000 0.748 68 L CB -0.894 40.960 42.059 -0.341 0.000 0.891 68 L HN 0.261 nan 8.230 nan 0.000 0.431 69 K N -0.540 119.809 120.400 -0.085 0.000 2.063 69 K HA -0.236 4.084 4.320 -0.001 0.000 0.208 69 K C 1.946 178.527 176.600 -0.032 0.000 1.048 69 K CA 2.021 58.280 56.287 -0.047 0.000 0.928 69 K CB -0.119 32.363 32.500 -0.029 0.000 0.713 69 K HN 0.529 nan 8.250 nan 0.000 0.442 70 E N 0.034 120.220 120.200 -0.023 0.000 2.110 70 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 70 E C 2.071 178.667 176.600 -0.006 0.000 0.988 70 E CA 1.471 57.869 56.400 -0.003 0.000 0.804 70 E CB -0.050 29.661 29.700 0.018 0.000 0.745 70 E HN 0.359 nan 8.360 nan 0.000 0.458 71 M N 0.424 120.016 119.600 -0.013 0.000 2.132 71 M HA -0.133 4.346 4.480 -0.001 0.000 0.263 71 M C 2.136 178.408 176.300 -0.047 0.000 1.065 71 M CA 1.309 56.593 55.300 -0.026 0.000 1.122 71 M CB -0.034 32.550 32.600 -0.027 0.000 1.365 71 M HN -0.071 nan 8.290 nan 0.000 0.411 72 K N 0.299 120.670 120.400 -0.048 0.000 2.097 72 K HA -0.078 4.241 4.320 -0.001 0.000 0.206 72 K C 2.101 178.683 176.600 -0.030 0.000 1.049 72 K CA 1.350 57.611 56.287 -0.043 0.000 0.933 72 K CB -0.217 32.256 32.500 -0.045 0.000 0.717 72 K HN 0.287 nan 8.250 nan 0.000 0.442 73 A N 1.927 124.733 122.820 -0.024 0.000 1.908 73 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 73 A C 1.910 179.482 177.584 -0.020 0.000 1.181 73 A CA 1.637 53.663 52.037 -0.017 0.000 0.627 73 A CB -0.295 18.698 19.000 -0.011 0.000 0.818 73 A HN 0.205 nan 8.150 nan 0.000 0.445 74 K N -0.380 120.004 120.400 -0.026 0.000 2.025 74 K HA -0.020 4.299 4.320 -0.001 0.000 0.207 74 K C 2.305 178.880 176.600 -0.041 0.000 1.049 74 K CA 1.096 57.361 56.287 -0.036 0.000 0.933 74 K CB -0.352 32.119 32.500 -0.049 0.000 0.714 74 K HN 0.424 nan 8.250 nan 0.000 0.438 75 A N 1.138 123.932 122.820 -0.044 0.000 1.978 75 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 75 A C 2.076 179.649 177.584 -0.019 0.000 1.170 75 A CA 1.825 53.841 52.037 -0.036 0.000 0.636 75 A CB -0.537 18.445 19.000 -0.031 0.000 0.810 75 A HN 0.191 nan 8.150 nan 0.000 0.448 76 S N -0.392 115.298 115.700 -0.017 0.000 2.500 76 S HA -0.103 4.366 4.470 -0.001 0.000 0.239 76 S C 1.905 176.499 174.600 -0.010 0.000 0.989 76 S CA 1.575 59.770 58.200 -0.009 0.000 0.951 76 S CB -0.501 62.694 63.200 -0.008 0.000 0.759 76 S HN 0.918 nan 8.310 nan 0.000 0.523 77 T N -1.040 113.504 114.554 -0.016 0.000 3.081 77 T HA 0.187 4.536 4.350 -0.001 0.000 0.255 77 T C 0.526 175.215 174.700 -0.019 0.000 1.113 77 T CA -0.101 61.989 62.100 -0.016 0.000 1.082 77 T CB -0.261 68.595 68.868 -0.020 0.000 0.939 77 T HN 0.032 nan 8.240 nan 0.000 0.506 78 V N 2.239 122.140 119.914 -0.021 0.000 2.530 78 V HA 0.335 4.455 4.120 -0.001 0.000 0.282 78 V C 0.204 176.291 176.094 -0.012 0.000 1.048 78 V CA -0.674 61.612 62.300 -0.024 0.000 0.997 78 V CB 1.057 32.860 31.823 -0.032 0.000 0.987 78 V HN 0.381 nan 8.190 nan 0.000 0.477 79 K N 3.915 124.308 120.400 -0.012 0.000 2.339 79 K HA 0.736 5.056 4.320 -0.001 0.000 0.264 79 K C -0.564 176.032 176.600 -0.006 0.000 0.986 79 K CA -0.376 55.909 56.287 -0.004 0.000 0.866 79 K CB 1.397 33.895 32.500 -0.002 0.000 1.103 79 K HN 0.830 nan 8.250 nan 0.000 0.441 80 A N 3.960 126.780 122.820 0.001 0.000 2.380 80 A HA 0.546 4.865 4.320 -0.001 0.000 0.315 80 A C -1.195 176.397 177.584 0.013 0.000 1.101 80 A CA -0.900 51.136 52.037 -0.001 0.000 0.771 80 A CB 1.035 20.029 19.000 -0.009 0.000 1.287 80 A HN 0.838 nan 8.150 nan 0.000 0.436 81 K N 1.026 121.435 120.400 0.015 0.000 2.221 81 K HA 0.711 5.031 4.320 -0.001 0.000 0.243 81 K C -1.163 175.454 176.600 0.028 0.000 0.968 81 K CA -0.782 55.517 56.287 0.020 0.000 0.846 81 K CB 1.093 33.600 32.500 0.011 0.000 1.141 81 K HN 0.341 nan 8.250 nan 0.000 0.434 82 L N 2.401 123.637 121.223 0.023 0.000 2.416 82 L HA 0.182 4.522 4.340 -0.001 0.000 0.272 82 L C -0.477 176.368 176.870 -0.042 0.000 1.161 82 L CA -0.311 54.531 54.840 0.003 0.000 0.845 82 L CB 0.422 42.478 42.059 -0.005 0.000 1.119 82 L HN 0.615 nan 8.230 nan 0.000 0.464 83 L N 2.923 124.105 121.223 -0.068 0.000 2.371 83 L HA 0.310 4.650 4.340 -0.001 0.000 0.272 83 L C 0.619 177.377 176.870 -0.185 0.000 1.124 83 L CA 0.279 55.056 54.840 -0.104 0.000 0.816 83 L CB 1.128 43.129 42.059 -0.098 0.000 1.129 83 L HN 0.834 nan 8.230 nan 0.000 0.448 84 S N 1.898 117.501 115.700 -0.162 0.000 2.584 84 S HA 0.151 4.621 4.470 -0.001 0.000 0.270 84 S C 1.445 175.910 174.600 -0.225 0.000 1.346 84 S CA -0.666 57.423 58.200 -0.186 0.000 1.018 84 S CB 0.683 63.807 63.200 -0.126 0.000 0.899 84 S HN 0.357 nan 8.310 nan 0.000 0.542 85 V N 1.981 121.742 119.914 -0.254 0.000 2.278 85 V HA -0.248 3.872 4.120 -0.001 0.000 0.251 85 V C 2.657 178.631 176.094 -0.201 0.000 1.062 85 V CA 2.615 64.750 62.300 -0.275 0.000 1.038 85 V CB -1.409 30.200 31.823 -0.356 0.000 0.646 85 V HN 0.902 nan 8.190 nan 0.000 0.447 86 E N 0.006 120.112 120.200 -0.156 0.000 2.038 86 E HA -0.242 4.108 4.350 -0.001 0.000 0.195 86 E C 2.193 178.707 176.600 -0.143 0.000 1.000 86 E CA 1.735 58.057 56.400 -0.130 0.000 0.803 86 E CB -0.330 29.310 29.700 -0.100 0.000 0.750 86 E HN 0.679 nan 8.360 nan 0.000 0.448 87 E N 0.030 120.140 120.200 -0.149 0.000 2.058 87 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 87 E C 2.042 178.511 176.600 -0.218 0.000 0.997 87 E CA 1.160 57.458 56.400 -0.170 0.000 0.801 87 E CB -0.201 29.407 29.700 -0.153 0.000 0.746 87 E HN 0.303 nan 8.360 nan 0.000 0.450 88 A N 0.515 123.207 122.820 -0.214 0.000 1.898 88 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 88 A C 2.425 179.892 177.584 -0.194 0.000 1.181 88 A CA 1.209 53.112 52.037 -0.223 0.000 0.620 88 A CB -0.844 18.044 19.000 -0.187 0.000 0.819 88 A HN 0.392 nan 8.150 nan 0.000 0.442 89 C N -0.163 119.037 119.300 -0.168 0.000 2.401 89 C HA -0.127 4.333 4.460 -0.001 0.000 0.276 89 C C 2.616 177.515 174.990 -0.151 0.000 1.233 89 C CA 1.401 60.334 59.018 -0.142 0.000 1.753 89 C CB -1.042 26.619 27.740 -0.132 0.000 2.029 89 C HN 0.589 nan 8.230 nan 0.000 0.478 90 K N 0.427 120.731 120.400 -0.160 0.000 2.362 90 K HA -0.013 4.307 4.320 -0.001 0.000 0.200 90 K C 1.533 178.038 176.600 -0.158 0.000 1.046 90 K CA 0.871 57.070 56.287 -0.148 0.000 0.952 90 K CB -0.209 32.207 32.500 -0.141 0.000 0.753 90 K HN 0.537 nan 8.250 nan 0.000 0.466 91 L N 0.894 121.981 121.223 -0.227 0.000 2.492 91 L HA -0.010 4.330 4.340 -0.001 0.000 0.223 91 L C 0.498 177.263 176.870 -0.175 0.000 1.132 91 L CA 0.320 54.997 54.840 -0.272 0.000 0.850 91 L CB -0.030 41.740 42.059 -0.481 0.000 0.966 91 L HN -0.019 nan 8.230 nan 0.000 0.454 92 T N 1.801 116.260 114.554 -0.159 0.000 2.794 92 T HA 0.195 4.544 4.350 -0.001 0.000 0.296 92 T C -2.318 172.247 174.700 -0.225 0.000 0.949 92 T CA -1.113 60.897 62.100 -0.149 0.000 1.101 92 T CB 0.935 69.726 68.868 -0.129 0.000 0.905 92 T HN -0.137 nan 8.240 nan 0.000 0.516 93 P HA 0.127 nan 4.420 nan 0.000 0.264 93 P C -1.858 175.162 177.300 -0.466 0.000 1.193 93 P CA -1.346 61.527 63.100 -0.379 0.000 0.763 93 P CB 0.161 31.782 31.700 -0.132 0.000 0.810 94 P HA -0.185 nan 4.420 nan 0.000 0.217 94 P C 0.271 177.205 177.300 -0.610 0.000 1.148 94 P CA 1.775 64.469 63.100 -0.677 0.000 0.834 94 P CB -0.287 30.902 31.700 -0.851 0.000 0.783 95 H N -2.579 116.383 119.070 -0.180 0.000 2.487 95 H HA 0.293 4.848 4.556 -0.001 0.000 0.290 95 H C 0.551 175.811 175.328 -0.113 0.000 1.081 95 H CA -0.415 55.562 56.048 -0.119 0.000 1.116 95 H CB -0.062 29.647 29.762 -0.089 0.000 1.560 95 H HN -0.021 nan 8.280 nan 0.000 0.548 96 S N 1.398 117.056 115.700 -0.071 0.000 2.568 96 S HA 0.332 4.802 4.470 -0.001 0.000 0.282 96 S C 0.828 175.383 174.600 -0.076 0.000 1.338 96 S CA -0.534 57.614 58.200 -0.086 0.000 1.045 96 S CB 0.224 63.364 63.200 -0.100 0.000 0.873 96 S HN 0.532 nan 8.310 nan 0.000 0.516 97 A N 4.584 127.341 122.820 -0.105 0.000 2.567 97 A HA 0.194 4.514 4.320 -0.001 0.000 0.240 97 A C 0.617 178.166 177.584 -0.059 0.000 1.053 97 A CA 0.064 52.057 52.037 -0.075 0.000 0.755 97 A CB -0.282 18.666 19.000 -0.086 0.000 0.978 97 A HN 0.887 nan 8.150 nan 0.000 0.507 98 K N 2.288 122.647 120.400 -0.068 0.000 2.276 98 K HA 0.312 4.632 4.320 -0.001 0.000 0.259 98 K C 0.313 176.800 176.600 -0.188 0.000 1.001 98 K CA 0.084 56.294 56.287 -0.128 0.000 0.927 98 K CB 0.452 32.884 32.500 -0.114 0.000 0.969 98 K HN 0.442 nan 8.250 nan 0.000 0.490 99 S N 0.565 116.035 115.700 -0.383 0.000 2.576 99 S HA 0.049 4.519 4.470 -0.001 0.000 0.276 99 S C 0.702 175.052 174.600 -0.417 0.000 1.339 99 S CA -0.488 57.431 58.200 -0.468 0.000 1.039 99 S CB 0.637 63.216 63.200 -1.036 0.000 0.902 99 S HN 0.705 nan 8.310 nan 0.000 0.516 100 K N 2.432 122.553 120.400 -0.466 0.000 2.442 100 K HA -0.052 4.268 4.320 -0.001 0.000 0.198 100 K C -0.122 176.062 176.600 -0.694 0.000 1.044 100 K CA 1.166 57.076 56.287 -0.627 0.000 0.948 100 K CB -0.144 31.806 32.500 -0.917 0.000 0.762 100 K HN 0.615 nan 8.250 nan 0.000 0.472 101 F N -0.111 119.690 119.950 -0.248 0.000 2.837 101 F HA 0.262 4.788 4.527 -0.001 0.000 0.298 101 F C 1.004 176.665 175.800 -0.231 0.000 1.161 101 F CA -0.364 57.516 58.000 -0.200 0.000 1.353 101 F CB 0.864 39.771 39.000 -0.155 0.000 0.951 101 F HN 0.031 nan 8.300 nan 0.000 0.508 102 G N 0.434 109.172 108.800 -0.105 0.000 2.132 102 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.228 102 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.228 102 G C -0.362 174.596 174.900 0.096 0.000 1.000 102 G CA 0.139 45.244 45.100 0.008 0.000 0.693 102 G HN 0.547 nan 8.290 nan 0.000 0.515 103 Y N -2.588 117.669 120.300 -0.071 0.000 2.638 103 Y HA 0.793 5.342 4.550 -0.001 0.000 0.335 103 Y C 0.377 176.251 175.900 -0.043 0.000 1.155 103 Y CA -1.074 56.995 58.100 -0.050 0.000 1.046 103 Y CB 0.603 39.032 38.460 -0.053 0.000 1.303 103 Y HN 0.685 nan 8.280 nan 0.000 0.460 104 G N -0.181 108.670 108.800 0.084 0.000 3.108 104 G HA2 0.541 4.500 3.960 -0.001 0.000 0.268 104 G HA3 0.541 4.500 3.960 -0.001 0.000 0.268 104 G C 0.227 175.164 174.900 0.063 0.000 1.361 104 G CA -0.754 44.343 45.100 -0.006 0.000 1.047 104 G HN 1.186 nan 8.290 nan 0.000 0.540 105 A N -0.411 122.399 122.820 -0.016 0.000 1.908 105 A HA -0.019 4.300 4.320 -0.001 0.000 0.218 105 A C 2.174 179.712 177.584 -0.076 0.000 1.181 105 A CA 2.062 54.067 52.037 -0.053 0.000 0.627 105 A CB -0.421 18.512 19.000 -0.113 0.000 0.818 105 A HN 0.571 nan 8.150 nan 0.000 0.445 106 K N -0.364 119.991 120.400 -0.075 0.000 2.097 106 K HA -0.110 4.209 4.320 -0.001 0.000 0.205 106 K C 1.474 178.048 176.600 -0.042 0.000 1.050 106 K CA 1.292 57.529 56.287 -0.083 0.000 0.938 106 K CB -0.180 32.274 32.500 -0.077 0.000 0.718 106 K HN 0.434 nan 8.250 nan 0.000 0.442 107 D N 0.555 120.960 120.400 0.008 0.000 2.123 107 D HA -0.148 4.491 4.640 -0.001 0.000 0.196 107 D C 1.986 178.280 176.300 -0.010 0.000 0.992 107 D CA 1.010 55.023 54.000 0.023 0.000 0.833 107 D CB -0.308 40.553 40.800 0.101 0.000 0.954 107 D HN -0.056 nan 8.370 nan 0.000 0.455 108 V N 1.355 121.281 119.914 0.019 0.000 2.261 108 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 108 V C 2.526 178.576 176.094 -0.073 0.000 1.047 108 V CA 1.705 63.991 62.300 -0.023 0.000 1.015 108 V CB -0.361 31.479 31.823 0.028 0.000 0.642 108 V HN 0.140 nan 8.190 nan 0.000 0.446 109 R N 0.304 120.751 120.500 -0.089 0.000 2.096 109 R HA -0.119 4.220 4.340 -0.001 0.000 0.235 109 R C 1.877 178.121 176.300 -0.093 0.000 1.127 109 R CA 1.467 57.499 56.100 -0.113 0.000 0.968 109 R CB -0.425 29.783 30.300 -0.153 0.000 0.861 109 R HN 0.488 nan 8.270 nan 0.000 0.440 110 N N 0.967 119.621 118.700 -0.077 0.000 2.521 110 N HA 0.029 4.768 4.740 -0.001 0.000 0.188 110 N C 0.170 175.644 175.510 -0.061 0.000 1.146 110 N CA 0.387 53.399 53.050 -0.063 0.000 0.893 110 N CB 0.081 38.538 38.487 -0.050 0.000 0.975 110 N HN 0.160 nan 8.380 nan 0.000 0.451 111 L N 0.517 121.696 121.223 -0.072 0.000 3.634 111 L HA -0.225 4.114 4.340 -0.001 0.000 0.423 111 L C 0.207 177.037 176.870 -0.066 0.000 1.253 111 L CA -0.064 54.729 54.840 -0.078 0.000 0.885 111 L CB -2.786 39.230 42.059 -0.071 0.000 1.789 111 L HN 0.122 nan 8.230 nan 0.000 0.904 112 S N -0.817 114.844 115.700 -0.065 0.000 2.568 112 S HA 0.267 4.736 4.470 -0.001 0.000 0.282 112 S C 1.505 176.067 174.600 -0.064 0.000 1.338 112 S CA -0.040 58.129 58.200 -0.052 0.000 1.045 112 S CB 1.767 64.946 63.200 -0.036 0.000 0.873 112 S HN 0.591 nan 8.310 nan 0.000 0.516 113 S N 2.768 118.446 115.700 -0.037 0.000 2.382 113 S HA -0.187 4.283 4.470 -0.001 0.000 0.228 113 S C 1.731 176.312 174.600 -0.033 0.000 1.027 113 S CA 1.123 59.305 58.200 -0.029 0.000 0.991 113 S CB -0.633 62.559 63.200 -0.015 0.000 0.823 113 S HN 0.849 nan 8.310 nan 0.000 0.469 114 K N 1.579 121.968 120.400 -0.019 0.000 2.009 114 K HA -0.072 4.248 4.320 -0.001 0.000 0.210 114 K C 2.425 178.955 176.600 -0.117 0.000 1.049 114 K CA 1.364 57.668 56.287 0.028 0.000 0.929 114 K CB -0.756 31.791 32.500 0.077 0.000 0.714 114 K HN 0.455 nan 8.250 nan 0.000 0.440 115 A N 0.536 123.130 122.820 -0.376 0.000 1.883 115 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 115 A C 2.285 179.581 177.584 -0.479 0.000 1.186 115 A CA 1.876 53.393 52.037 -0.866 0.000 0.624 115 A CB -0.773 17.904 19.000 -0.539 0.000 0.822 115 A HN 0.203 nan 8.150 nan 0.000 0.444 116 V N 0.897 120.665 119.914 -0.244 0.000 2.295 116 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 116 V C 2.351 178.399 176.094 -0.075 0.000 1.049 116 V CA 2.167 64.364 62.300 -0.172 0.000 1.024 116 V CB -1.011 30.764 31.823 -0.080 0.000 0.648 116 V HN 0.559 nan 8.190 nan 0.000 0.447 117 N N -0.498 118.196 118.700 -0.010 0.000 2.069 117 N HA -0.183 4.556 4.740 -0.001 0.000 0.191 117 N C 1.779 177.263 175.510 -0.043 0.000 1.031 117 N CA 1.604 54.662 53.050 0.014 0.000 0.852 117 N CB -0.576 37.876 38.487 -0.057 0.000 1.018 117 N HN 0.586 nan 8.380 nan 0.000 0.423 118 H N 0.433 119.437 119.070 -0.110 0.000 2.353 118 H HA 0.013 4.569 4.556 -0.001 0.000 0.300 118 H C 2.248 177.549 175.328 -0.044 0.000 1.090 118 H CA 0.910 56.915 56.048 -0.071 0.000 1.327 118 H CB -0.057 29.685 29.762 -0.033 0.000 1.383 118 H HN 0.207 nan 8.280 nan 0.000 0.508 119 I N 0.126 120.699 120.570 0.006 0.000 2.179 119 I HA -0.281 3.888 4.170 -0.001 0.000 0.242 119 I C 2.306 178.415 176.117 -0.013 0.000 1.088 119 I CA 1.277 62.559 61.300 -0.030 0.000 1.357 119 I CB -0.342 37.558 38.000 -0.167 0.000 1.051 119 I HN 0.259 nan 8.210 nan 0.000 0.409 120 H N -0.087 119.000 119.070 0.028 0.000 2.387 120 H HA -0.180 4.376 4.556 -0.001 0.000 0.299 120 H C 2.544 177.928 175.328 0.092 0.000 1.099 120 H CA 1.882 57.964 56.048 0.057 0.000 1.315 120 H CB -0.029 29.730 29.762 -0.005 0.000 1.380 120 H HN 0.383 nan 8.280 nan 0.000 0.513 121 S N -0.003 115.779 115.700 0.138 0.000 2.383 121 S HA -0.116 4.354 4.470 -0.001 0.000 0.227 121 S C 2.260 176.894 174.600 0.056 0.000 1.026 121 S CA 1.111 59.344 58.200 0.056 0.000 0.981 121 S CB -0.630 62.544 63.200 -0.045 0.000 0.818 121 S HN 0.163 nan 8.310 nan 0.000 0.472 122 V N 0.926 120.889 119.914 0.082 0.000 2.358 122 V HA -0.122 3.998 4.120 -0.001 0.000 0.246 122 V C 2.245 178.403 176.094 0.106 0.000 1.047 122 V CA 1.793 64.138 62.300 0.075 0.000 1.035 122 V CB -1.100 30.784 31.823 0.102 0.000 0.658 122 V HN 0.708 nan 8.190 nan 0.000 0.452 123 W N 1.428 122.725 121.300 -0.004 0.000 2.335 123 W HA -0.258 4.402 4.660 -0.001 0.000 0.311 123 W C 2.536 179.058 176.519 0.006 0.000 1.213 123 W CA 2.438 59.785 57.345 0.004 0.000 1.274 123 W CB -0.137 29.333 29.460 0.017 0.000 1.148 123 W HN 0.241 nan 8.180 nan 0.000 0.498 124 K N 0.535 121.003 120.400 0.113 0.000 2.057 124 K HA -0.258 4.061 4.320 -0.001 0.000 0.207 124 K C 1.752 178.299 176.600 -0.088 0.000 1.049 124 K CA 2.202 58.493 56.287 0.008 0.000 0.931 124 K CB -0.600 31.940 32.500 0.067 0.000 0.714 124 K HN 0.025 nan 8.250 nan 0.000 0.440 125 D N 0.324 120.684 120.400 -0.068 0.000 2.144 125 D HA -0.148 4.491 4.640 -0.001 0.000 0.199 125 D C 1.974 178.192 176.300 -0.136 0.000 0.984 125 D CA 0.978 54.928 54.000 -0.084 0.000 0.834 125 D CB 0.050 40.814 40.800 -0.060 0.000 0.955 125 D HN 0.211 nan 8.370 nan 0.000 0.465 126 L N -0.026 121.075 121.223 -0.202 0.000 2.079 126 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 126 L C 2.486 179.171 176.870 -0.308 0.000 1.081 126 L CA 0.745 55.416 54.840 -0.281 0.000 0.752 126 L CB -0.400 41.412 42.059 -0.412 0.000 0.896 126 L HN 0.242 nan 8.230 nan 0.000 0.433 127 L N -0.957 120.050 121.223 -0.360 0.000 2.093 127 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 127 L C 2.539 179.316 176.870 -0.155 0.000 1.085 127 L CA 0.933 55.610 54.840 -0.272 0.000 0.755 127 L CB -0.416 41.492 42.059 -0.253 0.000 0.904 127 L HN 0.282 nan 8.230 nan 0.000 0.435 128 E N -0.763 119.361 120.200 -0.128 0.000 2.250 128 E HA -0.034 4.316 4.350 -0.001 0.000 0.192 128 E C 0.108 176.664 176.600 -0.074 0.000 0.986 128 E CA 0.468 56.819 56.400 -0.082 0.000 0.849 128 E CB 0.232 29.893 29.700 -0.065 0.000 0.797 128 E HN 0.236 nan 8.360 nan 0.000 0.482 129 D N 0.269 120.617 120.400 -0.087 0.000 2.542 129 D HA 0.060 4.700 4.640 -0.001 0.000 0.252 129 D C -0.152 176.100 176.300 -0.080 0.000 1.222 129 D CA -0.268 53.691 54.000 -0.070 0.000 0.895 129 D CB 1.140 41.904 40.800 -0.059 0.000 1.207 129 D HN -0.119 nan 8.370 nan 0.000 0.558 130 T N 0.441 114.956 114.554 -0.066 0.000 3.243 130 T HA 0.262 4.611 4.350 -0.001 0.000 0.264 130 T C 0.918 175.590 174.700 -0.047 0.000 1.000 130 T CA -0.145 61.916 62.100 -0.066 0.000 0.901 130 T CB 0.182 69.014 68.868 -0.059 0.000 1.083 130 T HN 0.127 nan 8.240 nan 0.000 0.559 131 V N 0.029 119.919 119.914 -0.040 0.000 3.103 131 V HA 0.199 4.318 4.120 -0.001 0.000 0.229 131 V C 0.977 177.063 176.094 -0.015 0.000 1.304 131 V CA 0.288 62.574 62.300 -0.024 0.000 1.298 131 V CB 0.250 32.061 31.823 -0.020 0.000 1.093 131 V HN 0.473 nan 8.190 nan 0.000 0.489 132 T N 3.863 118.406 114.554 -0.018 0.000 2.779 132 T HA 0.280 4.629 4.350 -0.001 0.000 0.296 132 T C -2.478 172.222 174.700 -0.000 0.000 0.938 132 T CA -0.750 61.349 62.100 -0.003 0.000 1.119 132 T CB 0.964 69.829 68.868 -0.005 0.000 0.891 132 T HN 0.151 nan 8.240 nan 0.000 0.526 133 P HA 0.153 nan 4.420 nan 0.000 0.266 133 P C -0.293 177.005 177.300 -0.005 0.000 1.195 133 P CA -0.092 63.019 63.100 0.017 0.000 0.768 133 P CB 0.387 32.136 31.700 0.081 0.000 0.838 134 I N 1.971 122.522 120.570 -0.031 0.000 2.428 134 I HA 0.180 4.350 4.170 -0.001 0.000 0.296 134 I C 0.881 176.979 176.117 -0.031 0.000 0.985 134 I CA -0.543 60.745 61.300 -0.021 0.000 1.260 134 I CB 0.987 38.969 38.000 -0.030 0.000 1.389 134 I HN 0.330 nan 8.210 nan 0.000 0.484 135 D N 3.853 124.249 120.400 -0.007 0.000 2.382 135 D HA 0.211 4.850 4.640 -0.001 0.000 0.240 135 D C -0.434 175.828 176.300 -0.064 0.000 1.146 135 D CA 0.226 54.206 54.000 -0.033 0.000 0.897 135 D CB 0.829 41.626 40.800 -0.004 0.000 1.197 135 D HN 0.616 nan 8.370 nan 0.000 0.432 136 T N -0.806 113.680 114.554 -0.113 0.000 2.906 136 T HA 0.563 4.913 4.350 -0.001 0.000 0.295 136 T C -0.389 174.158 174.700 -0.255 0.000 1.061 136 T CA -1.001 60.994 62.100 -0.175 0.000 1.000 136 T CB 1.481 70.265 68.868 -0.140 0.000 1.103 136 T HN 0.235 nan 8.240 nan 0.000 0.486 137 T N 2.516 116.769 114.554 -0.501 0.000 2.845 137 T HA 0.564 4.913 4.350 -0.001 0.000 0.288 137 T C -0.236 174.182 174.700 -0.470 0.000 0.980 137 T CA -0.584 61.184 62.100 -0.553 0.000 1.071 137 T CB 0.615 68.975 68.868 -0.846 0.000 0.941 137 T HN 0.722 nan 8.240 nan 0.000 0.487 138 I N 3.998 124.461 120.570 -0.179 0.000 2.378 138 I HA 0.505 4.674 4.170 -0.001 0.000 0.291 138 I C -0.999 175.140 176.117 0.036 0.000 0.992 138 I CA -0.848 60.441 61.300 -0.020 0.000 1.154 138 I CB 0.729 38.776 38.000 0.079 0.000 1.315 138 I HN 0.409 nan 8.210 nan 0.000 0.448 139 M N 6.461 126.131 119.600 0.117 0.000 2.591 139 M HA 0.511 4.990 4.480 -0.001 0.000 0.306 139 M C -0.487 175.876 176.300 0.106 0.000 1.190 139 M CA -0.639 54.740 55.300 0.131 0.000 0.889 139 M CB 1.769 34.502 32.600 0.221 0.000 1.728 139 M HN 0.598 nan 8.290 nan 0.000 0.458 140 A N 2.434 125.297 122.820 0.071 0.000 2.320 140 A HA 0.460 4.779 4.320 -0.001 0.000 0.287 140 A C -0.007 177.618 177.584 0.068 0.000 1.181 140 A CA -0.463 51.609 52.037 0.058 0.000 0.831 140 A CB 0.178 19.198 19.000 0.034 0.000 1.102 140 A HN 0.760 nan 8.150 nan 0.000 0.513 141 K N 2.003 122.446 120.400 0.073 0.000 2.326 141 K HA 0.092 4.412 4.320 -0.001 0.000 0.275 141 K C -0.593 176.026 176.600 0.032 0.000 1.018 141 K CA 0.160 56.480 56.287 0.055 0.000 0.962 141 K CB 0.514 33.052 32.500 0.064 0.000 0.953 141 K HN 0.767 nan 8.250 nan 0.000 0.475 142 N N 2.730 121.422 118.700 -0.013 0.000 2.589 142 N HA 0.095 4.834 4.740 -0.001 0.000 0.232 142 N C -1.195 174.211 175.510 -0.174 0.000 1.015 142 N CA -0.311 52.697 53.050 -0.070 0.000 0.931 142 N CB 0.918 39.360 38.487 -0.075 0.000 1.150 142 N HN 0.393 nan 8.380 nan 0.000 0.512 143 E N 0.857 120.948 120.200 -0.183 0.000 2.277 143 E HA 0.453 4.803 4.350 -0.001 0.000 0.266 143 E C -0.809 175.402 176.600 -0.648 0.000 0.901 143 E CA -1.017 55.150 56.400 -0.389 0.000 0.782 143 E CB 2.461 31.985 29.700 -0.292 0.000 1.228 143 E HN 0.081 nan 8.360 nan 0.000 0.424 144 V N 2.855 122.226 119.914 -0.904 0.000 2.481 144 V HA 0.482 4.601 4.120 -0.001 0.000 0.286 144 V C -0.735 174.708 176.094 -1.085 0.000 1.042 144 V CA -0.279 61.495 62.300 -0.877 0.000 0.928 144 V CB 0.152 31.566 31.823 -0.682 0.000 0.986 144 V HN 0.514 nan 8.190 nan 0.000 0.462 145 F N 1.968 121.566 119.950 -0.587 0.000 2.692 145 F HA 0.602 5.129 4.527 -0.000 0.000 0.320 145 F C 0.051 175.663 175.800 -0.313 0.000 1.123 145 F CA -0.733 57.003 58.000 -0.440 0.000 0.961 145 F CB 1.327 40.059 39.000 -0.446 0.000 1.383 145 F HN 0.560 nan 8.300 nan 0.000 0.483 146 C N 2.673 122.072 119.300 0.166 0.000 2.365 146 C HA 0.789 5.248 4.460 -0.001 0.000 0.351 146 C C 0.141 175.348 174.990 0.362 0.000 1.240 146 C CA -0.714 58.439 59.018 0.224 0.000 2.062 146 C CB 0.019 27.843 27.740 0.141 0.000 2.387 146 C HN 0.747 nan 8.230 nan 0.000 0.537 147 V N 4.954 125.101 119.914 0.390 0.000 2.901 147 V HA 0.361 4.480 4.120 -0.001 0.000 0.307 147 V C -0.067 176.114 176.094 0.146 0.000 1.084 147 V CA 0.721 63.182 62.300 0.267 0.000 1.184 147 V CB -0.137 31.762 31.823 0.127 0.000 0.941 147 V HN 1.498 nan 8.190 nan 0.000 0.493 155 K N 1.542 121.931 120.400 -0.019 0.000 2.144 155 K HA 0.509 4.828 4.320 -0.001 0.000 0.270 155 K C -2.448 174.152 176.600 0.001 0.000 1.005 155 K CA -1.706 54.538 56.287 -0.071 0.000 0.932 155 K CB 0.750 33.108 32.500 -0.238 0.000 1.021 155 K HN 0.077 nan 8.250 nan 0.000 0.462 156 P HA 0.023 nan 4.420 nan 0.000 0.272 156 P C -0.789 176.540 177.300 0.049 0.000 1.230 156 P CA -0.419 62.691 63.100 0.017 0.000 0.788 156 P CB 0.545 32.241 31.700 -0.006 0.000 0.949 157 A N 2.513 125.372 122.820 0.065 0.000 2.531 157 A HA 0.072 4.391 4.320 -0.001 0.000 0.236 157 A C 0.519 178.147 177.584 0.074 0.000 1.062 157 A CA 0.069 52.159 52.037 0.087 0.000 0.760 157 A CB -0.290 18.750 19.000 0.066 0.000 0.995 157 A HN 0.433 nan 8.150 nan 0.000 0.501 158 R N 0.659 121.222 120.500 0.105 0.000 2.582 158 R HA 0.426 4.766 4.340 -0.001 0.000 0.271 158 R C -0.703 175.653 176.300 0.094 0.000 1.078 158 R CA -0.180 55.982 56.100 0.104 0.000 1.127 158 R CB 0.410 30.790 30.300 0.134 0.000 1.038 158 R HN 0.667 nan 8.270 nan 0.000 0.500 159 L N 2.767 124.049 121.223 0.098 0.000 2.325 159 L HA 0.524 4.864 4.340 -0.001 0.000 0.278 159 L C -0.341 176.619 176.870 0.149 0.000 1.023 159 L CA -0.904 53.997 54.840 0.103 0.000 0.811 159 L CB 1.527 43.628 42.059 0.070 0.000 1.249 159 L HN 0.469 nan 8.230 nan 0.000 0.431 160 I N 2.507 123.183 120.570 0.177 0.000 2.474 160 I HA 0.551 4.720 4.170 -0.001 0.000 0.294 160 I C -0.983 175.304 176.117 0.284 0.000 1.005 160 I CA -0.383 61.059 61.300 0.238 0.000 1.113 160 I CB 1.978 40.119 38.000 0.236 0.000 1.289 160 I HN 0.211 nan 8.210 nan 0.000 0.436 161 V N 8.435 128.520 119.914 0.285 0.000 2.483 161 V HA 0.598 4.718 4.120 -0.001 0.000 0.297 161 V C -0.941 175.310 176.094 0.262 0.000 1.027 161 V CA -0.479 61.930 62.300 0.182 0.000 0.855 161 V CB 1.189 33.104 31.823 0.153 0.000 0.995 161 V HN 0.606 nan 8.190 nan 0.000 0.424 162 F N 4.918 124.911 119.950 0.073 0.000 2.619 162 F HA 0.941 5.467 4.527 -0.001 0.000 0.308 162 F C -3.116 172.717 175.800 0.055 0.000 1.097 162 F CA -2.440 55.602 58.000 0.070 0.000 0.953 162 F CB 1.762 40.799 39.000 0.062 0.000 1.287 162 F HN 0.313 nan 8.300 nan 0.000 0.446 163 P HA 0.211 nan 4.420 nan 0.000 0.284 163 P C -1.098 176.322 177.300 0.200 0.000 1.292 163 P CA -0.186 62.977 63.100 0.106 0.000 0.800 163 P CB 1.200 32.966 31.700 0.111 0.000 1.188 164 D N -0.890 119.594 120.400 0.141 0.000 2.400 164 D HA -0.050 4.590 4.640 -0.001 0.000 0.238 164 D C 1.401 177.799 176.300 0.163 0.000 1.157 164 D CA -0.298 53.792 54.000 0.150 0.000 0.889 164 D CB 0.271 41.180 40.800 0.181 0.000 1.199 164 D HN 0.116 nan 8.370 nan 0.000 0.436 165 L N 3.733 125.022 121.223 0.111 0.000 2.064 165 L HA -0.111 4.228 4.340 -0.001 0.000 0.216 165 L C 2.013 178.979 176.870 0.160 0.000 1.077 165 L CA 2.728 57.623 54.840 0.092 0.000 0.766 165 L CB -1.175 40.881 42.059 -0.005 0.000 0.890 165 L HN 0.671 nan 8.230 nan 0.000 0.435 166 G N -1.318 107.620 108.800 0.230 0.000 2.440 166 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.218 166 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.218 166 G C 1.534 176.548 174.900 0.190 0.000 1.154 166 G CA 1.151 46.418 45.100 0.279 0.000 0.767 166 G HN 0.379 nan 8.290 nan 0.000 0.552 167 V N 0.860 120.878 119.914 0.173 0.000 2.295 167 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 167 V C 2.919 179.099 176.094 0.143 0.000 1.049 167 V CA 2.059 64.444 62.300 0.142 0.000 1.024 167 V CB -0.539 31.355 31.823 0.118 0.000 0.648 167 V HN 0.332 nan 8.190 nan 0.000 0.447 168 R N -0.211 120.374 120.500 0.143 0.000 2.103 168 R HA -0.166 4.173 4.340 -0.001 0.000 0.242 168 R C 2.211 178.569 176.300 0.097 0.000 1.142 168 R CA 1.729 57.905 56.100 0.126 0.000 0.960 168 R CB -0.746 29.618 30.300 0.107 0.000 0.858 168 R HN 0.451 nan 8.270 nan 0.000 0.439 169 V N 0.365 120.329 119.914 0.084 0.000 2.358 169 V HA -0.292 3.828 4.120 -0.001 0.000 0.246 169 V C 2.550 178.677 176.094 0.054 0.000 1.047 169 V CA 1.590 63.911 62.300 0.035 0.000 1.035 169 V CB -0.528 31.302 31.823 0.012 0.000 0.658 169 V HN 0.453 nan 8.190 nan 0.000 0.452 170 C N -0.122 119.260 119.300 0.137 0.000 2.413 170 C HA -0.163 4.297 4.460 -0.001 0.000 0.276 170 C C 2.704 177.875 174.990 0.302 0.000 1.248 170 C CA 1.016 60.205 59.018 0.285 0.000 1.742 170 C CB -1.009 26.953 27.740 0.371 0.000 2.017 170 C HN 0.616 nan 8.230 nan 0.000 0.481 171 E N 0.670 120.998 120.200 0.212 0.000 2.070 171 E HA -0.257 4.092 4.350 -0.001 0.000 0.197 171 E C 2.162 178.876 176.600 0.190 0.000 1.004 171 E CA 1.400 57.930 56.400 0.217 0.000 0.805 171 E CB -0.155 29.677 29.700 0.220 0.000 0.744 171 E HN 0.632 nan 8.360 nan 0.000 0.451 172 K N 0.173 120.649 120.400 0.127 0.000 2.057 172 K HA -0.110 4.209 4.320 -0.001 0.000 0.207 172 K C 2.206 178.848 176.600 0.070 0.000 1.049 172 K CA 1.324 57.663 56.287 0.087 0.000 0.931 172 K CB -0.096 32.377 32.500 -0.045 0.000 0.714 172 K HN 0.111 nan 8.250 nan 0.000 0.440 173 M N 0.203 119.809 119.600 0.009 0.000 2.080 173 M HA -0.206 4.273 4.480 -0.001 0.000 0.260 173 M C 2.425 178.754 176.300 0.049 0.000 1.068 173 M CA 1.878 57.120 55.300 -0.096 0.000 1.109 173 M CB -0.373 31.978 32.600 -0.414 0.000 1.342 173 M HN 0.242 nan 8.290 nan 0.000 0.405 174 A N -0.619 122.354 122.820 0.254 0.000 1.929 174 A HA 0.020 4.340 4.320 -0.001 0.000 0.216 174 A C 1.843 179.522 177.584 0.158 0.000 1.176 174 A CA 1.239 53.469 52.037 0.322 0.000 0.628 174 A CB -0.195 19.031 19.000 0.377 0.000 0.816 174 A HN 0.511 nan 8.150 nan 0.000 0.444 175 L N -3.429 117.870 121.223 0.128 0.000 3.174 175 L HA 0.195 4.535 4.340 -0.001 0.000 0.283 175 L C 1.789 178.681 176.870 0.036 0.000 1.187 175 L CA -0.003 54.855 54.840 0.030 0.000 1.018 175 L CB 0.088 42.137 42.059 -0.016 0.000 1.433 175 L HN 0.416 nan 8.230 nan 0.000 0.593 176 Y N 1.553 121.849 120.300 -0.007 0.000 2.128 176 Y HA -0.344 4.206 4.550 -0.001 0.000 0.284 176 Y C 2.231 178.135 175.900 0.006 0.000 1.154 176 Y CA 2.347 60.448 58.100 0.001 0.000 1.149 176 Y CB 0.088 38.525 38.460 -0.039 0.000 0.976 176 Y HN 0.230 nan 8.280 nan 0.000 0.505 177 D N -0.779 119.634 120.400 0.021 0.000 2.117 177 D HA -0.164 4.475 4.640 -0.001 0.000 0.197 177 D C 2.239 178.465 176.300 -0.124 0.000 0.987 177 D CA 1.461 55.427 54.000 -0.057 0.000 0.829 177 D CB -0.262 40.549 40.800 0.019 0.000 0.961 177 D HN 0.253 nan 8.370 nan 0.000 0.460 178 V N 0.614 120.462 119.914 -0.109 0.000 2.233 178 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 178 V C 2.743 178.716 176.094 -0.202 0.000 1.050 178 V CA 1.965 64.178 62.300 -0.145 0.000 1.010 178 V CB -0.857 30.855 31.823 -0.185 0.000 0.637 178 V HN 0.338 nan 8.190 nan 0.000 0.444 179 V N -2.229 117.541 119.914 -0.240 0.000 2.867 179 V HA -0.145 3.975 4.120 -0.001 0.000 0.260 179 V C 2.083 178.011 176.094 -0.277 0.000 1.099 179 V CA 2.222 64.376 62.300 -0.245 0.000 1.122 179 V CB -0.581 31.124 31.823 -0.196 0.000 0.708 179 V HN 0.461 nan 8.190 nan 0.000 0.490 180 S N 0.915 116.438 115.700 -0.295 0.000 2.446 180 S HA -0.046 4.423 4.470 -0.001 0.000 0.225 180 S C 1.931 176.409 174.600 -0.203 0.000 1.016 180 S CA 1.565 59.600 58.200 -0.275 0.000 0.943 180 S CB -0.057 62.921 63.200 -0.369 0.000 0.786 180 S HN 0.965 nan 8.310 nan 0.000 0.508 181 T N -0.829 113.609 114.554 -0.194 0.000 3.019 181 T HA 0.283 4.633 4.350 -0.001 0.000 0.247 181 T C 1.699 176.285 174.700 -0.189 0.000 0.992 181 T CA -0.073 61.933 62.100 -0.156 0.000 1.036 181 T CB -0.577 68.228 68.868 -0.104 0.000 1.063 181 T HN 0.215 nan 8.240 nan 0.000 0.476 182 L N 2.181 123.291 121.223 -0.187 0.000 2.012 182 L HA 0.085 4.425 4.340 -0.001 0.000 0.210 182 L C -0.859 175.843 176.870 -0.280 0.000 1.073 182 L CA 1.592 56.328 54.840 -0.172 0.000 0.748 182 L CB -0.867 41.140 42.059 -0.085 0.000 0.891 182 L HN 0.155 nan 8.230 nan 0.000 0.431 183 P HA -0.212 nan 4.420 nan 0.000 0.216 183 P C 1.346 178.198 177.300 -0.746 0.000 1.153 183 P CA 1.237 63.911 63.100 -0.709 0.000 0.848 183 P CB -0.211 30.761 31.700 -1.214 0.000 0.787 184 Q N 0.160 119.560 119.800 -0.667 0.000 2.119 184 Q HA -0.093 4.246 4.340 -0.001 0.000 0.201 184 Q C 1.967 177.833 176.000 -0.222 0.000 0.972 184 Q CA 1.405 57.008 55.803 -0.334 0.000 0.847 184 Q CB -0.714 27.923 28.738 -0.169 0.000 0.903 184 Q HN 0.068 nan 8.270 nan 0.000 0.433 185 V N 0.184 119.972 119.914 -0.210 0.000 2.295 185 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 185 V C 2.526 178.527 176.094 -0.155 0.000 1.049 185 V CA 1.548 63.761 62.300 -0.145 0.000 1.024 185 V CB -0.548 31.206 31.823 -0.116 0.000 0.648 185 V HN 0.138 nan 8.190 nan 0.000 0.447 186 V N -0.887 118.900 119.914 -0.211 0.000 2.379 186 V HA -0.161 3.958 4.120 -0.001 0.000 0.245 186 V C 2.040 177.960 176.094 -0.291 0.000 1.044 186 V CA 2.105 64.274 62.300 -0.218 0.000 1.036 186 V CB -0.340 31.341 31.823 -0.237 0.000 0.664 186 V HN 0.473 nan 8.190 nan 0.000 0.453 187 M N -1.474 117.899 119.600 -0.378 0.000 2.367 187 M HA 0.353 4.833 4.480 -0.001 0.000 0.256 187 M C 1.457 177.660 176.300 -0.161 0.000 1.091 187 M CA 0.732 55.745 55.300 -0.477 0.000 1.049 187 M CB 0.549 32.758 32.600 -0.651 0.000 1.406 187 M HN 0.451 nan 8.290 nan 0.000 0.498 188 G N 1.745 110.470 108.800 -0.126 0.000 2.634 188 G HA2 -0.410 3.550 3.960 -0.001 0.000 0.309 188 G HA3 -0.410 3.550 3.960 -0.001 0.000 0.309 188 G C 0.864 175.728 174.900 -0.061 0.000 1.265 188 G CA 0.986 46.048 45.100 -0.064 0.000 0.998 188 G HN 0.525 nan 8.290 nan 0.000 0.551 189 S N -0.678 114.998 115.700 -0.040 0.000 2.442 189 S HA 0.010 4.480 4.470 -0.001 0.000 0.236 189 S C 2.246 176.745 174.600 -0.168 0.000 1.007 189 S CA 2.071 60.184 58.200 -0.145 0.000 0.965 189 S CB -0.259 62.887 63.200 -0.091 0.000 0.773 189 S HN 1.127 nan 8.310 nan 0.000 0.504 190 S N 0.235 115.959 115.700 0.041 0.000 2.515 190 S HA 0.077 4.546 4.470 -0.001 0.000 0.231 190 S C 0.286 174.941 174.600 0.092 0.000 0.987 190 S CA 0.046 58.337 58.200 0.151 0.000 0.936 190 S CB -0.486 62.910 63.200 0.327 0.000 0.766 190 S HN 0.707 nan 8.310 nan 0.000 0.528 191 Y N 3.091 123.296 120.300 -0.159 0.000 2.531 191 Y HA 0.444 4.993 4.550 -0.001 0.000 0.347 191 Y C 1.266 176.990 175.900 -0.293 0.000 1.024 191 Y CA -1.419 56.555 58.100 -0.209 0.000 1.306 191 Y CB 0.010 38.328 38.460 -0.236 0.000 1.149 191 Y HN 0.050 nan 8.280 nan 0.000 0.527 192 G N 4.450 112.835 108.800 -0.692 0.000 2.443 192 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.219 192 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.219 192 G C 1.015 175.368 174.900 -0.911 0.000 1.131 192 G CA 0.266 44.967 45.100 -0.665 0.000 0.775 192 G HN 0.648 nan 8.290 nan 0.000 0.547 193 F N 1.026 120.242 119.950 -1.223 0.000 2.780 193 F HA 0.078 4.604 4.527 -0.001 0.000 0.299 193 F C 2.801 178.281 175.800 -0.533 0.000 1.146 193 F CA 0.802 58.193 58.000 -1.016 0.000 1.428 193 F CB 0.057 38.442 39.000 -1.025 0.000 1.115 193 F HN 0.328 nan 8.300 nan 0.000 0.583 194 Q N -0.426 119.077 119.800 -0.495 0.000 2.472 194 Q HA -0.093 4.247 4.340 -0.001 0.000 0.208 194 Q C -0.660 175.169 176.000 -0.285 0.000 0.958 194 Q CA 0.833 56.443 55.803 -0.321 0.000 0.932 194 Q CB -0.326 28.150 28.738 -0.437 0.000 1.007 194 Q HN 0.303 nan 8.270 nan 0.000 0.508 195 Y N 1.743 122.016 120.300 -0.045 0.000 2.341 195 Y HA 0.311 4.860 4.550 -0.001 0.000 0.337 195 Y C 0.544 176.263 175.900 -0.301 0.000 1.014 195 Y CA -1.318 56.712 58.100 -0.117 0.000 1.111 195 Y CB 1.487 39.852 38.460 -0.160 0.000 1.194 195 Y HN 0.094 nan 8.280 nan 0.000 0.462 196 S N 2.798 118.236 115.700 -0.438 0.000 2.596 196 S HA 0.166 4.636 4.470 -0.001 0.000 0.260 196 S C -1.961 172.268 174.600 -0.619 0.000 1.336 196 S CA -0.916 56.571 58.200 -1.188 0.000 0.993 196 S CB 1.084 63.822 63.200 -0.769 0.000 0.923 196 S HN 0.450 nan 8.310 nan 0.000 0.567 197 P HA 0.024 nan 4.420 nan 0.000 0.215 197 P C 1.755 178.924 177.300 -0.217 0.000 1.153 197 P CA 1.643 64.541 63.100 -0.336 0.000 0.853 197 P CB -0.559 30.972 31.700 -0.283 0.000 0.788 198 G N -0.032 108.604 108.800 -0.275 0.000 2.446 198 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.217 198 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.217 198 G C 1.534 176.364 174.900 -0.116 0.000 1.168 198 G CA 0.779 45.795 45.100 -0.140 0.000 0.771 198 G HN 0.315 nan 8.290 nan 0.000 0.551 199 Q N -0.597 119.121 119.800 -0.136 0.000 2.167 199 Q HA 0.019 4.359 4.340 -0.001 0.000 0.202 199 Q C 2.583 178.441 176.000 -0.237 0.000 0.970 199 Q CA 0.940 56.688 55.803 -0.093 0.000 0.855 199 Q CB -0.103 28.667 28.738 0.053 0.000 0.911 199 Q HN 0.494 nan 8.270 nan 0.000 0.438 200 R N 0.309 120.680 120.500 -0.215 0.000 2.073 200 R HA -0.089 4.250 4.340 -0.001 0.000 0.229 200 R C 2.209 178.395 176.300 -0.190 0.000 1.120 200 R CA 1.005 56.940 56.100 -0.275 0.000 0.967 200 R CB -0.289 29.952 30.300 -0.099 0.000 0.862 200 R HN 0.182 nan 8.270 nan 0.000 0.436 201 V N 1.472 121.307 119.914 -0.132 0.000 2.427 201 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 201 V C 2.157 178.163 176.094 -0.147 0.000 1.051 201 V CA 2.387 64.616 62.300 -0.118 0.000 1.048 201 V CB -0.287 31.509 31.823 -0.045 0.000 0.666 201 V HN 0.528 nan 8.190 nan 0.000 0.456 202 E N -0.873 119.260 120.200 -0.113 0.000 2.077 202 E HA -0.280 4.070 4.350 -0.001 0.000 0.193 202 E C 2.088 178.616 176.600 -0.120 0.000 0.989 202 E CA 1.863 58.205 56.400 -0.096 0.000 0.800 202 E CB -0.377 29.293 29.700 -0.050 0.000 0.746 202 E HN 0.667 nan 8.360 nan 0.000 0.452 203 F N 1.184 120.938 119.950 -0.328 0.000 2.146 203 F HA -0.097 4.429 4.527 -0.001 0.000 0.298 203 F C 1.881 177.535 175.800 -0.243 0.000 1.096 203 F CA 1.143 58.932 58.000 -0.351 0.000 1.275 203 F CB -0.254 38.325 39.000 -0.701 0.000 1.008 203 F HN 0.007 nan 8.300 nan 0.000 0.480 204 L N -0.646 120.347 121.223 -0.383 0.000 1.994 204 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 204 L C 2.421 179.087 176.870 -0.340 0.000 1.071 204 L CA 1.366 55.972 54.840 -0.390 0.000 0.745 204 L CB -0.830 41.074 42.059 -0.259 0.000 0.892 204 L HN -0.015 nan 8.230 nan 0.000 0.431 205 V N 0.055 119.765 119.914 -0.340 0.000 2.287 205 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 205 V C 2.193 178.160 176.094 -0.212 0.000 1.053 205 V CA 2.007 64.097 62.300 -0.350 0.000 1.027 205 V CB -0.775 30.707 31.823 -0.568 0.000 0.646 205 V HN 0.491 nan 8.190 nan 0.000 0.447 206 N N -0.017 118.549 118.700 -0.223 0.000 2.166 206 N HA -0.128 4.612 4.740 -0.001 0.000 0.186 206 N C 1.921 177.311 175.510 -0.201 0.000 1.019 206 N CA 1.840 54.791 53.050 -0.165 0.000 0.856 206 N CB -0.672 37.749 38.487 -0.111 0.000 0.993 206 N HN 0.464 nan 8.380 nan 0.000 0.426 207 T N 0.423 114.755 114.554 -0.370 0.000 2.708 207 T HA -0.150 4.200 4.350 -0.001 0.000 0.266 207 T C 1.481 176.076 174.700 -0.176 0.000 1.037 207 T CA 0.733 62.605 62.100 -0.380 0.000 1.146 207 T CB -0.229 68.222 68.868 -0.695 0.000 0.865 207 T HN 0.437 nan 8.240 nan 0.000 0.435 208 W N 2.100 123.216 121.300 -0.306 0.000 2.358 208 W HA -0.071 4.589 4.660 -0.001 0.000 0.303 208 W C 1.770 178.192 176.519 -0.163 0.000 1.208 208 W CA 1.118 58.330 57.345 -0.223 0.000 1.274 208 W CB -0.151 29.169 29.460 -0.234 0.000 1.138 208 W HN 0.254 nan 8.180 nan 0.000 0.515 209 K N 0.262 120.653 120.400 -0.015 0.000 2.296 209 K HA -0.113 4.207 4.320 -0.001 0.000 0.200 209 K C 2.175 178.710 176.600 -0.108 0.000 1.048 209 K CA 1.411 57.662 56.287 -0.059 0.000 0.966 209 K CB -0.221 32.271 32.500 -0.013 0.000 0.754 209 K HN 0.027 nan 8.250 nan 0.000 0.466 210 S N 0.554 116.181 115.700 -0.122 0.000 2.515 210 S HA -0.009 4.461 4.470 -0.001 0.000 0.231 210 S C 0.509 175.029 174.600 -0.134 0.000 0.987 210 S CA 0.398 58.533 58.200 -0.108 0.000 0.936 210 S CB 0.035 63.178 63.200 -0.096 0.000 0.766 210 S HN -0.056 nan 8.310 nan 0.000 0.528 211 K N 1.917 122.194 120.400 -0.206 0.000 2.172 211 K HA 0.378 4.697 4.320 -0.001 0.000 0.276 211 K C 0.662 177.142 176.600 -0.200 0.000 1.013 211 K CA -0.423 55.731 56.287 -0.222 0.000 0.913 211 K CB 1.180 33.484 32.500 -0.327 0.000 1.055 211 K HN 0.162 nan 8.250 nan 0.000 0.461 212 K N 1.261 121.577 120.400 -0.140 0.000 1.991 212 K HA -0.093 4.226 4.320 -0.001 0.000 0.212 212 K C 0.183 176.706 176.600 -0.128 0.000 1.049 212 K CA 1.269 57.491 56.287 -0.108 0.000 0.932 212 K CB 0.091 32.547 32.500 -0.074 0.000 0.717 212 K HN 0.482 nan 8.250 nan 0.000 0.441 213 N N 1.426 120.042 118.700 -0.140 0.000 2.623 213 N HA 0.220 4.960 4.740 -0.001 0.000 0.256 213 N C -2.826 172.546 175.510 -0.230 0.000 1.045 213 N CA -1.199 51.764 53.050 -0.145 0.000 0.863 213 N CB 1.801 40.248 38.487 -0.067 0.000 1.182 213 N HN 0.030 nan 8.380 nan 0.000 0.523 214 P HA 0.108 nan 4.420 nan 0.000 0.271 214 P C -0.311 176.633 177.300 -0.593 0.000 1.216 214 P CA -0.181 62.426 63.100 -0.822 0.000 0.776 214 P CB 1.166 31.691 31.700 -1.957 0.000 0.881 215 M N 2.141 121.480 119.600 -0.435 0.000 2.457 215 M HA 0.679 5.158 4.480 -0.001 0.000 0.300 215 M C -1.019 175.212 176.300 -0.116 0.000 1.141 215 M CA -0.333 54.790 55.300 -0.295 0.000 0.901 215 M CB 2.489 34.983 32.600 -0.177 0.000 1.687 215 M HN 0.599 nan 8.290 nan 0.000 0.449 216 G N 3.346 112.174 108.800 0.048 0.000 2.692 216 G HA2 0.821 4.780 3.960 -0.001 0.000 0.291 216 G HA3 0.821 4.780 3.960 -0.001 0.000 0.291 216 G C -2.107 172.871 174.900 0.130 0.000 1.423 216 G CA -0.649 44.508 45.100 0.094 0.000 0.843 216 G HN 0.842 nan 8.290 nan 0.000 0.486 217 F N -0.658 119.249 119.950 -0.072 0.000 2.665 217 F HA 0.767 5.293 4.527 -0.000 0.000 0.308 217 F C -0.224 175.552 175.800 -0.040 0.000 1.112 217 F CA -1.326 56.630 58.000 -0.074 0.000 0.972 217 F CB 1.248 40.187 39.000 -0.103 0.000 1.295 217 F HN 0.672 nan 8.300 nan 0.000 0.440 218 S N 1.248 117.041 115.700 0.156 0.000 2.585 218 S HA 0.602 5.071 4.470 -0.001 0.000 0.277 218 S C -1.443 173.363 174.600 0.343 0.000 1.241 218 S CA -0.540 57.738 58.200 0.130 0.000 1.041 218 S CB 1.497 64.740 63.200 0.072 0.000 0.987 218 S HN 0.847 nan 8.310 nan 0.000 0.512 219 Y N 1.378 121.805 120.300 0.210 0.000 2.328 219 Y HA 0.432 4.981 4.550 -0.001 0.000 0.333 219 Y C -0.938 175.093 175.900 0.219 0.000 0.958 219 Y CA -0.805 57.471 58.100 0.295 0.000 1.167 219 Y CB 1.343 40.082 38.460 0.464 0.000 1.151 219 Y HN 0.849 nan 8.280 nan 0.000 0.470 220 D N 4.325 124.589 120.400 -0.226 0.000 2.373 220 D HA 0.228 4.867 4.640 -0.001 0.000 0.227 220 D C -0.797 175.395 176.300 -0.180 0.000 1.091 220 D CA -0.073 53.867 54.000 -0.099 0.000 0.840 220 D CB 1.049 41.806 40.800 -0.072 0.000 1.060 220 D HN 0.468 nan 8.370 nan 0.000 0.502 221 T N 4.055 118.687 114.554 0.131 0.000 2.832 221 T HA 0.162 4.512 4.350 -0.001 0.000 0.296 221 T C 0.403 175.218 174.700 0.191 0.000 0.968 221 T CA -0.561 61.692 62.100 0.256 0.000 1.107 221 T CB 0.796 70.015 68.868 0.585 0.000 0.916 221 T HN 0.258 nan 8.240 nan 0.000 0.517 222 R N 2.353 122.920 120.500 0.112 0.000 2.421 222 R HA 0.068 4.408 4.340 -0.001 0.000 0.305 222 R C 0.222 176.644 176.300 0.202 0.000 1.039 222 R CA -0.056 56.103 56.100 0.097 0.000 1.003 222 R CB -0.604 29.693 30.300 -0.006 0.000 0.959 222 R HN 0.964 nan 8.270 nan 0.000 0.427 223 C N 6.390 125.837 119.300 0.246 0.000 3.514 223 C HA -0.189 4.270 4.460 -0.001 0.000 0.286 223 C C 1.324 176.538 174.990 0.373 0.000 1.302 223 C CA 0.156 59.370 59.018 0.326 0.000 2.239 223 C CB -2.415 25.577 27.740 0.419 0.000 1.429 223 C HN 1.034 nan 8.230 nan 0.000 0.565 224 F N 1.760 121.843 119.950 0.221 0.000 2.091 224 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 224 F C 1.819 177.736 175.800 0.196 0.000 1.103 224 F CA 2.528 60.656 58.000 0.214 0.000 1.228 224 F CB -0.097 39.018 39.000 0.193 0.000 0.984 224 F HN 0.557 nan 8.300 nan 0.000 0.477 225 D N -0.477 120.174 120.400 0.418 0.000 2.158 225 D HA -0.170 4.469 4.640 -0.001 0.000 0.197 225 D C 2.460 178.829 176.300 0.116 0.000 0.995 225 D CA 1.654 55.824 54.000 0.285 0.000 0.846 225 D CB -0.507 40.456 40.800 0.272 0.000 0.941 225 D HN 0.246 nan 8.370 nan 0.000 0.456 226 S N -0.579 115.192 115.700 0.118 0.000 2.453 226 S HA -0.097 4.373 4.470 -0.001 0.000 0.231 226 S C 2.031 176.563 174.600 -0.113 0.000 1.005 226 S CA 1.358 59.517 58.200 -0.067 0.000 0.949 226 S CB -0.162 62.945 63.200 -0.155 0.000 0.774 226 S HN 0.529 nan 8.310 nan 0.000 0.510 227 T N -0.461 114.107 114.554 0.024 0.000 3.055 227 T HA 0.115 4.465 4.350 -0.001 0.000 0.265 227 T C 0.658 175.284 174.700 -0.123 0.000 1.111 227 T CA 0.083 62.191 62.100 0.014 0.000 1.118 227 T CB -0.425 68.412 68.868 -0.052 0.000 0.909 227 T HN 0.033 nan 8.240 nan 0.000 0.501 228 V N 4.022 123.831 119.914 -0.174 0.000 2.485 228 V HA 0.300 4.419 4.120 -0.001 0.000 0.287 228 V C 1.148 177.195 176.094 -0.078 0.000 1.022 228 V CA -0.081 62.145 62.300 -0.124 0.000 1.067 228 V CB -0.004 31.796 31.823 -0.038 0.000 0.967 228 V HN 0.738 nan 8.190 nan 0.000 0.479 229 T N 0.849 115.370 114.554 -0.054 0.000 2.923 229 T HA 0.330 4.679 4.350 -0.001 0.000 0.281 229 T C 1.054 175.738 174.700 -0.026 0.000 0.995 229 T CA -0.254 61.818 62.100 -0.047 0.000 0.985 229 T CB 1.529 70.375 68.868 -0.038 0.000 1.114 229 T HN 0.680 nan 8.240 nan 0.000 0.548 230 E N 0.546 120.731 120.200 -0.025 0.000 2.085 230 E HA -0.297 4.052 4.350 -0.001 0.000 0.194 230 E C 1.932 178.534 176.600 0.003 0.000 0.994 230 E CA 1.777 58.174 56.400 -0.006 0.000 0.801 230 E CB -0.292 29.404 29.700 -0.007 0.000 0.743 230 E HN 0.769 nan 8.360 nan 0.000 0.453 231 N N 0.673 119.370 118.700 -0.005 0.000 2.036 231 N HA -0.226 4.513 4.740 -0.001 0.000 0.195 231 N C 1.485 177.009 175.510 0.023 0.000 1.037 231 N CA 2.291 55.343 53.050 0.004 0.000 0.855 231 N CB -0.184 38.293 38.487 -0.016 0.000 1.033 231 N HN 0.155 nan 8.380 nan 0.000 0.423 232 D N -0.059 120.355 120.400 0.023 0.000 2.123 232 D HA -0.130 4.509 4.640 -0.001 0.000 0.196 232 D C 1.947 178.264 176.300 0.027 0.000 0.992 232 D CA 1.099 55.126 54.000 0.044 0.000 0.833 232 D CB -0.255 40.567 40.800 0.036 0.000 0.954 232 D HN 0.493 nan 8.370 nan 0.000 0.455 233 I N 0.388 120.974 120.570 0.026 0.000 2.439 233 I HA -0.133 4.037 4.170 -0.001 0.000 0.251 233 I C 2.415 178.545 176.117 0.022 0.000 1.139 233 I CA 0.644 61.965 61.300 0.035 0.000 1.438 233 I CB -0.040 38.001 38.000 0.069 0.000 1.085 233 I HN -0.108 nan 8.210 nan 0.000 0.427 234 R N 0.228 120.740 120.500 0.019 0.000 2.073 234 R HA -0.066 4.273 4.340 -0.001 0.000 0.229 234 R C 2.352 178.637 176.300 -0.025 0.000 1.120 234 R CA 0.982 57.088 56.100 0.009 0.000 0.967 234 R CB -0.455 29.855 30.300 0.015 0.000 0.862 234 R HN 0.187 nan 8.270 nan 0.000 0.436 235 V N 1.649 121.553 119.914 -0.018 0.000 2.287 235 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 235 V C 2.035 178.044 176.094 -0.142 0.000 1.053 235 V CA 1.884 64.159 62.300 -0.041 0.000 1.027 235 V CB -0.444 31.393 31.823 0.024 0.000 0.646 235 V HN 0.349 nan 8.190 nan 0.000 0.447 236 E N -0.372 119.717 120.200 -0.185 0.000 2.070 236 E HA -0.292 4.057 4.350 -0.001 0.000 0.197 236 E C 2.352 178.496 176.600 -0.759 0.000 1.004 236 E CA 1.638 57.775 56.400 -0.438 0.000 0.805 236 E CB -0.193 29.306 29.700 -0.336 0.000 0.744 236 E HN 0.643 nan 8.360 nan 0.000 0.451 237 E N 0.395 120.370 120.200 -0.374 0.000 2.077 237 E HA -0.203 4.147 4.350 -0.001 0.000 0.193 237 E C 2.147 178.675 176.600 -0.119 0.000 0.989 237 E CA 1.499 57.802 56.400 -0.162 0.000 0.800 237 E CB 0.010 29.748 29.700 0.063 0.000 0.746 237 E HN 0.234 nan 8.360 nan 0.000 0.452 238 S N 0.426 116.058 115.700 -0.114 0.000 2.399 238 S HA -0.155 4.314 4.470 -0.001 0.000 0.231 238 S C 2.072 176.623 174.600 -0.080 0.000 1.022 238 S CA 1.035 59.197 58.200 -0.064 0.000 0.983 238 S CB -0.593 62.577 63.200 -0.049 0.000 0.803 238 S HN 0.302 nan 8.310 nan 0.000 0.480 239 I N 0.258 120.725 120.570 -0.170 0.000 2.142 239 I HA -0.170 4.000 4.170 -0.001 0.000 0.240 239 I C 2.427 178.532 176.117 -0.020 0.000 1.078 239 I CA 1.564 62.778 61.300 -0.143 0.000 1.343 239 I CB -0.691 37.178 38.000 -0.217 0.000 1.046 239 I HN 0.224 nan 8.210 nan 0.000 0.405 240 Y N 1.171 121.464 120.300 -0.012 0.000 2.165 240 Y HA -0.238 4.311 4.550 -0.000 0.000 0.286 240 Y C 2.689 178.590 175.900 0.003 0.000 1.155 240 Y CA 0.781 58.878 58.100 -0.005 0.000 1.164 240 Y CB -1.102 37.370 38.460 0.020 0.000 0.978 240 Y HN 0.272 nan 8.280 nan 0.000 0.513 241 Q N -1.247 118.646 119.800 0.155 0.000 2.436 241 Q HA -0.100 4.240 4.340 -0.001 0.000 0.209 241 Q C 2.322 178.354 176.000 0.054 0.000 0.965 241 Q CA 0.873 56.731 55.803 0.092 0.000 0.910 241 Q CB -0.743 28.035 28.738 0.065 0.000 0.980 241 Q HN 0.527 nan 8.270 nan 0.000 0.491 242 C N 0.281 119.604 119.300 0.039 0.000 2.432 242 C HA -0.053 4.407 4.460 -0.001 0.000 0.280 242 C C 1.600 176.604 174.990 0.023 0.000 1.353 242 C CA -0.673 58.356 59.018 0.019 0.000 1.766 242 C CB -0.763 26.977 27.740 0.001 0.000 1.924 242 C HN 0.406 nan 8.230 nan 0.000 0.509 243 C N 2.077 121.400 119.300 0.037 0.000 2.703 243 C HA 0.091 4.550 4.460 -0.001 0.000 0.411 243 C C 0.626 175.630 174.990 0.025 0.000 1.290 243 C CA -0.257 58.777 59.018 0.027 0.000 2.054 243 C CB -0.372 27.387 27.740 0.033 0.000 2.732 243 C HN 0.507 nan 8.230 nan 0.000 0.650 244 D N 1.984 122.393 120.400 0.016 0.000 2.342 244 D HA 0.375 5.014 4.640 -0.001 0.000 0.260 244 D C -0.504 175.809 176.300 0.022 0.000 1.278 244 D CA 0.492 54.502 54.000 0.016 0.000 0.910 244 D CB -0.066 40.740 40.800 0.009 0.000 1.079 244 D HN 0.389 nan 8.370 nan 0.000 0.496 245 L N 2.013 123.254 121.223 0.029 0.000 2.333 245 L HA 0.641 4.981 4.340 -0.001 0.000 0.263 245 L C 0.292 177.186 176.870 0.041 0.000 1.014 245 L CA -1.462 53.401 54.840 0.039 0.000 0.820 245 L CB 1.853 43.942 42.059 0.050 0.000 1.352 245 L HN 0.314 nan 8.230 nan 0.000 0.421 246 A N 1.851 124.701 122.820 0.050 0.000 2.462 246 A HA 0.344 4.664 4.320 -0.001 0.000 0.243 246 A C -1.822 175.799 177.584 0.061 0.000 1.076 246 A CA -0.909 51.161 52.037 0.054 0.000 0.773 246 A CB -0.049 18.990 19.000 0.065 0.000 1.010 246 A HN 0.613 nan 8.150 nan 0.000 0.493 247 P HA -0.221 nan 4.420 nan 0.000 0.217 247 P C 1.340 178.672 177.300 0.053 0.000 1.151 247 P CA 1.748 64.874 63.100 0.043 0.000 0.849 247 P CB 0.229 31.949 31.700 0.033 0.000 0.787 248 E N -0.590 119.661 120.200 0.084 0.000 2.077 248 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 248 E C 1.928 178.614 176.600 0.143 0.000 0.989 248 E CA 1.157 57.629 56.400 0.120 0.000 0.800 248 E CB -0.448 29.376 29.700 0.206 0.000 0.746 248 E HN 0.081 nan 8.360 nan 0.000 0.452 249 A N 1.451 124.373 122.820 0.171 0.000 1.902 249 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 249 A C 2.123 179.761 177.584 0.091 0.000 1.181 249 A CA 1.387 53.529 52.037 0.175 0.000 0.623 249 A CB -0.465 18.625 19.000 0.151 0.000 0.818 249 A HN 0.191 nan 8.150 nan 0.000 0.443 250 R N -0.981 119.558 120.500 0.065 0.000 2.091 250 R HA -0.218 4.121 4.340 -0.001 0.000 0.238 250 R C 2.459 178.768 176.300 0.015 0.000 1.136 250 R CA 1.795 57.922 56.100 0.046 0.000 0.959 250 R CB -0.307 30.015 30.300 0.037 0.000 0.856 250 R HN 0.687 nan 8.270 nan 0.000 0.437 251 Q N 0.675 120.465 119.800 -0.016 0.000 2.083 251 Q HA -0.038 4.301 4.340 -0.001 0.000 0.198 251 Q C 1.969 177.890 176.000 -0.131 0.000 0.969 251 Q CA 1.789 57.552 55.803 -0.067 0.000 0.838 251 Q CB -0.154 28.533 28.738 -0.085 0.000 0.900 251 Q HN 0.322 nan 8.270 nan 0.000 0.436 252 A N 0.132 122.837 122.820 -0.192 0.000 1.930 252 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 252 A C 2.091 179.592 177.584 -0.138 0.000 1.175 252 A CA 1.321 53.169 52.037 -0.316 0.000 0.627 252 A CB -0.647 18.007 19.000 -0.576 0.000 0.815 252 A HN 0.488 nan 8.150 nan 0.000 0.443 253 I N -0.535 120.023 120.570 -0.021 0.000 2.252 253 I HA -0.241 3.929 4.170 -0.001 0.000 0.245 253 I C 2.528 178.681 176.117 0.059 0.000 1.102 253 I CA 1.760 63.100 61.300 0.067 0.000 1.385 253 I CB -0.192 37.883 38.000 0.125 0.000 1.064 253 I HN 0.395 nan 8.210 nan 0.000 0.414 254 K N 0.530 120.944 120.400 0.023 0.000 2.026 254 K HA -0.221 4.099 4.320 -0.001 0.000 0.208 254 K C 2.343 178.921 176.600 -0.037 0.000 1.048 254 K CA 1.931 58.224 56.287 0.011 0.000 0.929 254 K CB -0.146 32.352 32.500 -0.004 0.000 0.713 254 K HN 0.102 nan 8.250 nan 0.000 0.439 255 S N 0.728 116.376 115.700 -0.087 0.000 2.353 255 S HA -0.105 4.364 4.470 -0.001 0.000 0.222 255 S C 1.968 176.465 174.600 -0.172 0.000 1.035 255 S CA 1.309 59.432 58.200 -0.128 0.000 1.025 255 S CB -0.292 62.802 63.200 -0.176 0.000 0.902 255 S HN 0.359 nan 8.310 nan 0.000 0.440 256 L N 0.648 121.733 121.223 -0.230 0.000 2.042 256 L HA -0.126 4.214 4.340 -0.001 0.000 0.210 256 L C 2.760 179.282 176.870 -0.581 0.000 1.076 256 L CA 1.619 56.179 54.840 -0.467 0.000 0.749 256 L CB -1.097 40.643 42.059 -0.531 0.000 0.893 256 L HN 0.342 nan 8.230 nan 0.000 0.432 257 T N -0.957 113.472 114.554 -0.207 0.000 2.652 257 T HA -0.171 4.179 4.350 -0.001 0.000 0.267 257 T C 1.806 176.508 174.700 0.003 0.000 1.039 257 T CA 1.290 63.422 62.100 0.053 0.000 1.153 257 T CB -0.121 68.853 68.868 0.177 0.000 0.863 257 T HN 0.295 nan 8.240 nan 0.000 0.428 258 E N 0.906 121.088 120.200 -0.030 0.000 2.106 258 E HA -0.008 4.342 4.350 -0.001 0.000 0.192 258 E C 2.341 178.923 176.600 -0.031 0.000 0.984 258 E CA 0.940 57.330 56.400 -0.017 0.000 0.806 258 E CB -0.091 29.595 29.700 -0.024 0.000 0.750 258 E HN 0.454 nan 8.360 nan 0.000 0.458 259 R N -0.667 119.785 120.500 -0.079 0.000 2.237 259 R HA 0.128 4.468 4.340 -0.001 0.000 0.195 259 R C 1.787 178.032 176.300 -0.092 0.000 0.956 259 R CA 0.192 56.247 56.100 -0.074 0.000 1.029 259 R CB 0.353 30.598 30.300 -0.092 0.000 0.972 259 R HN 0.029 nan 8.270 nan 0.000 0.493 260 L N -2.140 118.992 121.223 -0.150 0.000 2.664 260 L HA 0.203 4.543 4.340 -0.001 0.000 0.198 260 L C 1.243 178.126 176.870 0.021 0.000 1.057 260 L CA 0.781 55.544 54.840 -0.128 0.000 0.871 260 L CB -0.223 41.689 42.059 -0.246 0.000 1.364 260 L HN -0.129 nan 8.230 nan 0.000 0.483 261 Y N 0.461 120.778 120.300 0.028 0.000 2.163 261 Y HA -0.044 4.506 4.550 -0.001 0.000 0.288 261 Y C 2.578 178.488 175.900 0.018 0.000 1.136 261 Y CA 1.477 59.603 58.100 0.043 0.000 1.147 261 Y CB -0.896 37.614 38.460 0.082 0.000 0.987 261 Y HN 0.111 nan 8.280 nan 0.000 0.509 262 I N -0.933 119.730 120.570 0.156 0.000 2.361 262 I HA -0.071 4.098 4.170 -0.001 0.000 0.251 262 I C 1.187 177.321 176.117 0.028 0.000 1.133 262 I CA 1.394 62.741 61.300 0.079 0.000 1.413 262 I CB -0.366 37.671 38.000 0.061 0.000 1.073 262 I HN 0.305 nan 8.210 nan 0.000 0.424 263 G N -1.131 107.669 108.800 0.001 0.000 2.320 263 G HA2 0.480 4.440 3.960 -0.001 0.000 0.297 263 G HA3 0.480 4.440 3.960 -0.001 0.000 0.297 263 G C -0.982 173.788 174.900 -0.217 0.000 1.344 263 G CA -0.201 44.841 45.100 -0.096 0.000 0.851 263 G HN 0.413 nan 8.290 nan 0.000 0.567 264 G N -0.987 107.424 108.800 -0.649 0.000 2.320 264 G HA2 0.725 4.684 3.960 -0.001 0.000 0.297 264 G HA3 0.725 4.684 3.960 -0.001 0.000 0.297 264 G C -3.488 170.675 174.900 -1.229 0.000 1.344 264 G CA 0.107 44.704 45.100 -0.838 0.000 0.851 264 G HN 0.791 nan 8.290 nan 0.000 0.567 265 P HA 0.518 nan 4.420 nan 0.000 0.278 265 P C -0.616 176.559 177.300 -0.208 0.000 1.238 265 P CA -0.253 62.650 63.100 -0.329 0.000 0.794 265 P CB 1.286 32.965 31.700 -0.035 0.000 0.955 266 L N 1.975 123.134 121.223 -0.106 0.000 2.322 266 L HA 0.489 4.828 4.340 -0.001 0.000 0.281 266 L C 0.439 177.307 176.870 -0.004 0.000 1.014 266 L CA -0.251 54.562 54.840 -0.045 0.000 0.815 266 L CB 1.702 43.781 42.059 0.033 0.000 1.247 266 L HN 0.263 nan 8.230 nan 0.000 0.421 267 T N 1.388 115.918 114.554 -0.040 0.000 2.807 267 T HA 0.326 4.675 4.350 -0.001 0.000 0.279 267 T C -0.184 174.493 174.700 -0.038 0.000 0.993 267 T CA -0.824 61.258 62.100 -0.031 0.000 0.970 267 T CB 1.467 70.302 68.868 -0.055 0.000 0.950 267 T HN 0.661 nan 8.240 nan 0.000 0.441 268 N N 0.813 119.509 118.700 -0.006 0.000 2.327 268 N HA 0.097 4.837 4.740 -0.001 0.000 0.257 268 N C 1.461 176.958 175.510 -0.021 0.000 1.281 268 N CA -0.195 52.851 53.050 -0.006 0.000 0.942 268 N CB 0.135 38.630 38.487 0.013 0.000 1.199 268 N HN 0.457 nan 8.380 nan 0.000 0.532 269 S N -1.032 114.664 115.700 -0.006 0.000 2.442 269 S HA -0.115 4.354 4.470 -0.001 0.000 0.236 269 S C 0.927 175.521 174.600 -0.009 0.000 1.007 269 S CA 0.739 58.938 58.200 -0.001 0.000 0.965 269 S CB -0.457 62.756 63.200 0.022 0.000 0.773 269 S HN 0.653 nan 8.310 nan 0.000 0.504 270 K N 0.729 121.125 120.400 -0.006 0.000 2.404 270 K HA 0.313 4.633 4.320 -0.001 0.000 0.194 270 K C 1.203 177.796 176.600 -0.013 0.000 1.023 270 K CA 0.323 56.606 56.287 -0.007 0.000 1.094 270 K CB -0.088 32.413 32.500 0.001 0.000 0.841 270 K HN 0.508 nan 8.250 nan 0.000 0.523 271 G N 1.748 110.536 108.800 -0.021 0.000 2.143 271 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.249 271 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.249 271 G C -0.250 174.645 174.900 -0.007 0.000 0.981 271 G CA -0.004 45.083 45.100 -0.023 0.000 0.665 271 G HN 0.374 nan 8.290 nan 0.000 0.528 272 Q N 0.056 119.858 119.800 0.003 0.000 2.259 272 Q HA 0.330 4.670 4.340 -0.001 0.000 0.249 272 Q C 0.398 176.415 176.000 0.028 0.000 0.914 272 Q CA -0.558 55.255 55.803 0.017 0.000 0.904 272 Q CB 0.967 29.718 28.738 0.022 0.000 1.213 272 Q HN 0.398 nan 8.270 nan 0.000 0.428 273 N N 1.506 120.230 118.700 0.040 0.000 2.431 273 N HA 0.006 4.746 4.740 -0.001 0.000 0.265 273 N C -0.271 175.293 175.510 0.090 0.000 1.184 273 N CA -0.367 52.718 53.050 0.058 0.000 0.943 273 N CB 0.542 39.066 38.487 0.060 0.000 1.080 273 N HN 0.612 nan 8.380 nan 0.000 0.477 274 C N 2.913 122.286 119.300 0.121 0.000 2.735 274 C HA 0.406 4.865 4.460 -0.001 0.000 0.271 274 C C 1.215 176.390 174.990 0.309 0.000 1.281 274 C CA 0.427 59.573 59.018 0.213 0.000 1.719 274 C CB -1.045 26.843 27.740 0.247 0.000 2.024 274 C HN 0.971 nan 8.230 nan 0.000 0.566 275 G N -1.119 107.788 108.800 0.178 0.000 2.347 275 G HA2 0.244 4.204 3.960 -0.001 0.000 0.224 275 G HA3 0.244 4.204 3.960 -0.001 0.000 0.224 275 G C -2.048 172.887 174.900 0.058 0.000 1.318 275 G CA -0.414 44.745 45.100 0.098 0.000 1.016 275 G HN 0.040 nan 8.290 nan 0.000 0.469 276 Y N 0.696 120.874 120.300 -0.204 0.000 2.470 276 Y HA 0.745 5.295 4.550 -0.001 0.000 0.341 276 Y C -0.015 175.744 175.900 -0.233 0.000 1.021 276 Y CA -0.808 57.192 58.100 -0.167 0.000 1.025 276 Y CB 1.951 40.330 38.460 -0.134 0.000 1.266 276 Y HN 0.715 nan 8.280 nan 0.000 0.448 277 R N 4.502 124.780 120.500 -0.371 0.000 2.407 277 R HA 0.543 4.883 4.340 -0.001 0.000 0.303 277 R C -0.571 175.567 176.300 -0.270 0.000 0.981 277 R CA -0.503 55.353 56.100 -0.407 0.000 0.905 277 R CB 0.853 30.958 30.300 -0.326 0.000 1.099 277 R HN 0.921 nan 8.270 nan 0.000 0.459 278 R N 3.034 123.333 120.500 -0.336 0.000 2.668 278 R HA 0.203 4.543 4.340 -0.001 0.000 0.435 278 R C -0.630 175.532 176.300 -0.230 0.000 1.059 278 R CA -0.305 55.692 56.100 -0.171 0.000 1.073 278 R CB 0.429 30.669 30.300 -0.101 0.000 1.401 278 R HN 0.778 nan 8.270 nan 0.000 0.590 279 C N -1.937 117.176 119.300 -0.313 0.000 3.308 279 C HA 0.616 5.075 4.460 -0.001 0.000 0.360 279 C C -0.252 174.669 174.990 -0.115 0.000 1.695 279 C CA -1.521 57.359 59.018 -0.230 0.000 1.366 279 C CB 1.192 28.733 27.740 -0.332 0.000 2.121 279 C HN 0.340 nan 8.230 nan 0.000 0.442 280 R N 1.259 121.744 120.500 -0.026 0.000 2.484 280 R HA 0.472 4.811 4.340 -0.001 0.000 0.293 280 R C 0.154 176.506 176.300 0.087 0.000 1.023 280 R CA 0.923 57.060 56.100 0.061 0.000 1.037 280 R CB -0.179 30.200 30.300 0.131 0.000 0.951 280 R HN 1.173 nan 8.270 nan 0.000 0.418 281 A N 3.680 126.563 122.820 0.104 0.000 2.409 281 A HA 0.189 4.509 4.320 -0.001 0.000 0.262 281 A C 1.129 178.811 177.584 0.164 0.000 1.113 281 A CA 0.193 52.315 52.037 0.142 0.000 0.790 281 A CB 0.355 19.443 19.000 0.148 0.000 1.046 281 A HN 1.035 nan 8.150 nan 0.000 0.496 282 S N 2.129 117.943 115.700 0.189 0.000 2.453 282 S HA 0.055 4.525 4.470 -0.001 0.000 0.231 282 S C 1.088 175.793 174.600 0.174 0.000 1.005 282 S CA 0.892 59.202 58.200 0.183 0.000 0.949 282 S CB -0.031 63.286 63.200 0.195 0.000 0.774 282 S HN 1.331 nan 8.310 nan 0.000 0.510 283 G N 1.824 110.748 108.800 0.207 0.000 4.644 283 G HA2 0.530 4.490 3.960 -0.001 0.000 0.307 283 G HA3 0.530 4.490 3.960 -0.001 0.000 0.307 283 G C -0.207 174.826 174.900 0.221 0.000 1.331 283 G CA -0.024 45.207 45.100 0.218 0.000 1.059 283 G HN 0.660 nan 8.290 nan 0.000 0.590 284 V N -2.422 117.601 119.914 0.182 0.000 3.113 284 V HA 0.608 4.727 4.120 -0.001 0.000 0.316 284 V C 1.290 177.462 176.094 0.130 0.000 1.125 284 V CA -0.944 61.476 62.300 0.199 0.000 1.026 284 V CB 1.699 33.699 31.823 0.294 0.000 1.080 284 V HN 0.073 nan 8.190 nan 0.000 0.444 285 L N 2.101 123.414 121.223 0.149 0.000 2.083 285 L HA -0.014 4.326 4.340 -0.001 0.000 0.209 285 L C 2.323 179.206 176.870 0.021 0.000 1.083 285 L CA 3.059 57.969 54.840 0.116 0.000 0.752 285 L CB -0.706 41.448 42.059 0.158 0.000 0.899 285 L HN 1.093 nan 8.230 nan 0.000 0.433 286 T N -5.769 108.711 114.554 -0.124 0.000 3.148 286 T HA -0.012 4.338 4.350 -0.001 0.000 0.253 286 T C 1.565 176.202 174.700 -0.105 0.000 1.134 286 T CA 0.772 62.750 62.100 -0.205 0.000 1.051 286 T CB -0.755 67.812 68.868 -0.502 0.000 0.959 286 T HN 0.286 nan 8.240 nan 0.000 0.525 287 T N 1.953 116.480 114.554 -0.045 0.000 2.684 287 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 287 T C 2.214 176.934 174.700 0.033 0.000 1.036 287 T CA 1.756 63.869 62.100 0.022 0.000 1.148 287 T CB -0.626 68.285 68.868 0.071 0.000 0.863 287 T HN 0.550 nan 8.240 nan 0.000 0.436 288 S N -0.216 115.475 115.700 -0.015 0.000 2.345 288 S HA -0.137 4.333 4.470 -0.001 0.000 0.220 288 S C 2.452 177.047 174.600 -0.009 0.000 1.031 288 S CA 1.342 59.508 58.200 -0.055 0.000 0.996 288 S CB -0.943 62.094 63.200 -0.271 0.000 0.882 288 S HN 0.668 nan 8.310 nan 0.000 0.445 289 C N 1.366 120.638 119.300 -0.047 0.000 2.432 289 C HA 0.114 4.573 4.460 -0.001 0.000 0.277 289 C C 2.848 177.890 174.990 0.087 0.000 1.249 289 C CA 1.131 60.153 59.018 0.006 0.000 1.725 289 C CB -1.819 25.887 27.740 -0.056 0.000 2.028 289 C HN 0.708 nan 8.230 nan 0.000 0.477 290 G N 0.602 109.463 108.800 0.101 0.000 2.446 290 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 290 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 290 G C 1.523 176.513 174.900 0.150 0.000 1.168 290 G CA 1.190 46.362 45.100 0.120 0.000 0.771 290 G HN 0.598 nan 8.290 nan 0.000 0.551 291 N N 0.328 119.120 118.700 0.153 0.000 2.120 291 N HA -0.077 4.662 4.740 -0.001 0.000 0.188 291 N C 2.436 178.001 175.510 0.091 0.000 1.024 291 N CA 1.630 54.782 53.050 0.169 0.000 0.852 291 N CB -0.709 37.799 38.487 0.035 0.000 1.003 291 N HN 0.277 nan 8.380 nan 0.000 0.424 292 T N 1.822 116.447 114.554 0.118 0.000 2.674 292 T HA -0.023 4.327 4.350 -0.001 0.000 0.265 292 T C 2.168 176.970 174.700 0.170 0.000 1.039 292 T CA 0.724 62.920 62.100 0.161 0.000 1.150 292 T CB -0.422 68.622 68.868 0.294 0.000 0.864 292 T HN 0.119 nan 8.240 nan 0.000 0.427 293 L N 0.710 122.006 121.223 0.122 0.000 2.013 293 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 293 L C 2.942 179.915 176.870 0.172 0.000 1.073 293 L CA 1.448 56.343 54.840 0.091 0.000 0.753 293 L CB -1.111 40.957 42.059 0.016 0.000 0.890 293 L HN 0.309 nan 8.230 nan 0.000 0.432 294 T N -1.593 113.083 114.554 0.203 0.000 2.812 294 T HA -0.204 4.146 4.350 -0.001 0.000 0.264 294 T C 2.011 176.923 174.700 0.353 0.000 1.042 294 T CA 1.310 63.565 62.100 0.258 0.000 1.140 294 T CB -0.436 68.615 68.868 0.305 0.000 0.870 294 T HN 0.460 nan 8.240 nan 0.000 0.445 295 C N 0.801 120.352 119.300 0.418 0.000 2.432 295 C HA -0.113 4.347 4.460 -0.001 0.000 0.277 295 C C 2.406 177.564 174.990 0.280 0.000 1.249 295 C CA 0.664 59.910 59.018 0.380 0.000 1.725 295 C CB -1.391 26.436 27.740 0.145 0.000 2.028 295 C HN 0.653 nan 8.230 nan 0.000 0.477 296 Y N 1.126 121.501 120.300 0.125 0.000 2.181 296 Y HA -0.124 4.426 4.550 -0.000 0.000 0.288 296 Y C 2.137 178.072 175.900 0.058 0.000 1.146 296 Y CA 2.105 60.259 58.100 0.089 0.000 1.164 296 Y CB -0.637 37.863 38.460 0.066 0.000 0.982 296 Y HN 0.361 nan 8.280 nan 0.000 0.515 297 L N 1.075 122.419 121.223 0.201 0.000 1.976 297 L HA -0.196 4.144 4.340 -0.001 0.000 0.209 297 L C 2.189 179.014 176.870 -0.075 0.000 1.071 297 L CA 2.107 56.951 54.840 0.007 0.000 0.746 297 L CB -0.992 41.039 42.059 -0.046 0.000 0.890 297 L HN 0.142 nan 8.230 nan 0.000 0.432 298 K N -0.462 119.959 120.400 0.035 0.000 2.063 298 K HA -0.137 4.182 4.320 -0.001 0.000 0.208 298 K C 2.065 178.707 176.600 0.071 0.000 1.048 298 K CA 1.524 57.849 56.287 0.063 0.000 0.928 298 K CB -0.441 32.176 32.500 0.195 0.000 0.713 298 K HN 0.541 nan 8.250 nan 0.000 0.442 299 A N 0.919 123.766 122.820 0.044 0.000 1.872 299 A HA -0.113 4.207 4.320 -0.001 0.000 0.214 299 A C 2.196 179.809 177.584 0.048 0.000 1.187 299 A CA 1.649 53.728 52.037 0.070 0.000 0.614 299 A CB -0.511 18.611 19.000 0.204 0.000 0.826 299 A HN 0.180 nan 8.150 nan 0.000 0.442 300 S N 0.312 115.920 115.700 -0.153 0.000 2.374 300 S HA -0.142 4.328 4.470 -0.001 0.000 0.227 300 S C 2.229 176.790 174.600 -0.065 0.000 1.037 300 S CA 1.398 59.478 58.200 -0.200 0.000 1.024 300 S CB -0.472 62.463 63.200 -0.441 0.000 0.861 300 S HN 0.800 nan 8.310 nan 0.000 0.456 301 A N 1.399 124.203 122.820 -0.026 0.000 1.929 301 A HA 0.271 4.590 4.320 -0.001 0.000 0.216 301 A C 2.361 180.026 177.584 0.134 0.000 1.176 301 A CA 1.437 53.522 52.037 0.080 0.000 0.628 301 A CB -1.003 18.046 19.000 0.083 0.000 0.816 301 A HN 0.511 nan 8.150 nan 0.000 0.444 302 A N -0.895 121.987 122.820 0.103 0.000 1.933 302 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 302 A C 2.257 179.861 177.584 0.034 0.000 1.175 302 A CA 1.622 53.557 52.037 -0.169 0.000 0.628 302 A CB -1.269 17.185 19.000 -0.910 0.000 0.814 302 A HN 0.584 nan 8.150 nan 0.000 0.444 303 C N -0.821 118.611 119.300 0.221 0.000 2.413 303 C HA -0.116 4.343 4.460 -0.001 0.000 0.276 303 C C 2.917 177.931 174.990 0.039 0.000 1.248 303 C CA 1.235 60.404 59.018 0.252 0.000 1.742 303 C CB -1.286 26.557 27.740 0.173 0.000 2.017 303 C HN 0.615 nan 8.230 nan 0.000 0.481 304 R N 1.039 121.472 120.500 -0.111 0.000 2.062 304 R HA -0.035 4.305 4.340 -0.001 0.000 0.229 304 R C 2.495 178.521 176.300 -0.456 0.000 1.128 304 R CA 1.425 57.325 56.100 -0.334 0.000 0.960 304 R CB -0.677 29.303 30.300 -0.533 0.000 0.855 304 R HN 0.509 nan 8.270 nan 0.000 0.432 305 A N 1.824 124.394 122.820 -0.418 0.000 1.884 305 A HA -0.231 4.089 4.320 -0.001 0.000 0.219 305 A C 2.341 179.907 177.584 -0.031 0.000 1.197 305 A CA 2.164 54.135 52.037 -0.110 0.000 0.637 305 A CB -0.828 18.167 19.000 -0.008 0.000 0.827 305 A HN 0.435 nan 8.150 nan 0.000 0.450 306 A N -1.788 121.035 122.820 0.005 0.000 2.206 306 A HA 0.212 4.532 4.320 -0.001 0.000 0.211 306 A C 1.092 178.698 177.584 0.037 0.000 1.158 306 A CA 1.149 53.218 52.037 0.053 0.000 0.761 306 A CB -0.465 18.627 19.000 0.153 0.000 0.801 306 A HN 0.573 nan 8.150 nan 0.000 0.473 307 K N -1.847 118.556 120.400 0.006 0.000 3.069 307 K HA -0.164 4.156 4.320 -0.001 0.000 0.267 307 K C -0.817 175.796 176.600 0.022 0.000 1.082 307 K CA 0.313 56.604 56.287 0.007 0.000 0.782 307 K CB -1.855 30.654 32.500 0.015 0.000 1.230 307 K HN 0.341 nan 8.250 nan 0.000 0.488 308 L N 1.816 123.064 121.223 0.042 0.000 2.490 308 L HA 0.003 4.342 4.340 -0.001 0.000 0.274 308 L C 0.985 177.868 176.870 0.021 0.000 1.201 308 L CA 1.003 55.870 54.840 0.045 0.000 0.869 308 L CB 0.435 42.544 42.059 0.085 0.000 1.123 308 L HN 0.124 nan 8.230 nan 0.000 0.484 309 Q N 2.321 122.127 119.800 0.009 0.000 2.256 309 Q HA 0.131 4.471 4.340 -0.001 0.000 0.254 309 Q C -0.184 175.807 176.000 -0.016 0.000 0.916 309 Q CA -0.650 55.150 55.803 -0.004 0.000 0.932 309 Q CB 0.917 29.650 28.738 -0.009 0.000 1.207 309 Q HN 0.504 nan 8.270 nan 0.000 0.426 310 D N 1.097 121.488 120.400 -0.014 0.000 2.735 310 D HA -0.173 4.466 4.640 -0.001 0.000 0.235 310 D C -1.213 175.069 176.300 -0.030 0.000 1.175 310 D CA 0.234 54.221 54.000 -0.021 0.000 0.683 310 D CB -0.941 39.838 40.800 -0.035 0.000 1.008 310 D HN 0.506 nan 8.370 nan 0.000 0.416 311 C N 1.008 120.298 119.300 -0.018 0.000 2.632 311 C HA 0.437 4.897 4.460 -0.001 0.000 0.415 311 C C 0.885 175.864 174.990 -0.018 0.000 1.332 311 C CA 0.032 59.033 59.018 -0.027 0.000 1.874 311 C CB 0.264 27.997 27.740 -0.012 0.000 2.596 311 C HN 0.436 nan 8.230 nan 0.000 0.590 312 T N 6.637 121.169 114.554 -0.037 0.000 2.815 312 T HA 0.448 4.797 4.350 -0.001 0.000 0.289 312 T C -0.240 174.464 174.700 0.007 0.000 1.000 312 T CA -0.250 61.859 62.100 0.016 0.000 0.958 312 T CB 0.763 69.630 68.868 -0.001 0.000 0.944 312 T HN 0.534 nan 8.240 nan 0.000 0.442 313 M N 3.192 122.839 119.600 0.077 0.000 2.478 313 M HA 0.615 5.095 4.480 -0.001 0.000 0.327 313 M C -1.111 175.293 176.300 0.174 0.000 1.187 313 M CA -1.130 54.207 55.300 0.062 0.000 1.022 313 M CB 1.819 34.449 32.600 0.049 0.000 1.629 313 M HN 0.318 nan 8.290 nan 0.000 0.461 314 L N 2.719 124.012 121.223 0.118 0.000 2.404 314 L HA 0.639 4.978 4.340 -0.001 0.000 0.272 314 L C -1.476 175.422 176.870 0.047 0.000 0.980 314 L CA -0.462 54.464 54.840 0.143 0.000 0.836 314 L CB 1.745 43.909 42.059 0.175 0.000 1.238 314 L HN 0.485 nan 8.230 nan 0.000 0.408 315 V N 4.209 124.137 119.914 0.024 0.000 2.531 315 V HA 0.585 4.704 4.120 -0.001 0.000 0.301 315 V C -0.751 175.224 176.094 -0.200 0.000 1.034 315 V CA -0.639 61.657 62.300 -0.007 0.000 0.865 315 V CB 2.011 33.921 31.823 0.145 0.000 0.995 315 V HN 0.776 nan 8.190 nan 0.000 0.424 316 N N 3.500 122.039 118.700 -0.269 0.000 2.664 316 N HA 0.612 5.352 4.740 -0.001 0.000 0.257 316 N C 0.539 175.982 175.510 -0.111 0.000 1.108 316 N CA 0.589 53.298 53.050 -0.568 0.000 0.822 316 N CB 1.717 39.747 38.487 -0.760 0.000 1.199 316 N HN 1.106 nan 8.380 nan 0.000 0.529 317 G N 2.418 111.299 108.800 0.135 0.000 2.591 317 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.298 317 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.298 317 G C 0.575 175.337 174.900 -0.229 0.000 1.195 317 G CA 0.789 45.913 45.100 0.041 0.000 0.989 317 G HN 0.615 nan 8.290 nan 0.000 0.551 318 D N 1.139 121.305 120.400 -0.389 0.000 2.349 318 D HA 0.117 4.756 4.640 -0.001 0.000 0.224 318 D C 0.505 176.708 176.300 -0.162 0.000 1.029 318 D CA 0.914 54.537 54.000 -0.628 0.000 0.879 318 D CB -0.087 40.307 40.800 -0.677 0.000 0.906 318 D HN 0.415 nan 8.370 nan 0.000 0.528 319 D N 0.444 120.798 120.400 -0.076 0.000 2.295 319 D HA 0.302 4.941 4.640 -0.001 0.000 0.248 319 D C -0.995 175.308 176.300 0.005 0.000 1.154 319 D CA -0.464 53.532 54.000 -0.007 0.000 0.857 319 D CB 0.943 41.732 40.800 -0.020 0.000 1.117 319 D HN 0.077 nan 8.370 nan 0.000 0.468 320 L N 4.552 125.815 121.223 0.067 0.000 2.436 320 L HA 0.471 4.810 4.340 -0.001 0.000 0.268 320 L C -1.744 175.144 176.870 0.029 0.000 0.974 320 L CA -0.580 54.308 54.840 0.080 0.000 0.826 320 L CB 2.080 44.257 42.059 0.196 0.000 1.291 320 L HN 0.114 nan 8.230 nan 0.000 0.406 321 V N 5.237 125.117 119.914 -0.057 0.000 2.656 321 V HA 0.683 4.802 4.120 -0.001 0.000 0.307 321 V C -0.878 175.035 176.094 -0.303 0.000 1.051 321 V CA -0.588 61.606 62.300 -0.177 0.000 0.893 321 V CB 2.360 34.115 31.823 -0.113 0.000 0.999 321 V HN 0.549 nan 8.190 nan 0.000 0.426 322 V N 6.179 125.700 119.914 -0.656 0.000 2.540 322 V HA 0.589 4.708 4.120 -0.001 0.000 0.302 322 V C -0.517 175.269 176.094 -0.512 0.000 1.035 322 V CA -0.451 61.436 62.300 -0.688 0.000 0.873 322 V CB 1.926 33.032 31.823 -1.195 0.000 0.992 322 V HN 0.681 nan 8.190 nan 0.000 0.428 323 I N 5.026 125.442 120.570 -0.257 0.000 2.466 323 I HA 0.694 4.864 4.170 -0.001 0.000 0.289 323 I C -0.086 175.944 176.117 -0.144 0.000 1.026 323 I CA -0.314 60.898 61.300 -0.147 0.000 1.078 323 I CB 1.744 39.709 38.000 -0.059 0.000 1.249 323 I HN 0.886 nan 8.210 nan 0.000 0.429 324 C N 2.090 121.307 119.300 -0.139 0.000 3.336 324 C HA 0.667 5.127 4.460 -0.001 0.000 0.352 324 C C -0.335 174.573 174.990 -0.137 0.000 1.567 324 C CA -0.883 58.069 59.018 -0.108 0.000 1.328 324 C CB 1.374 29.087 27.740 -0.045 0.000 1.922 324 C HN 0.701 nan 8.230 nan 0.000 0.439 325 E N 1.452 121.595 120.200 -0.094 0.000 2.223 325 E HA 0.419 4.769 4.350 -0.001 0.000 0.282 325 E C 0.187 176.759 176.600 -0.046 0.000 1.046 325 E CA 0.513 56.859 56.400 -0.090 0.000 0.857 325 E CB 0.982 30.643 29.700 -0.064 0.000 1.055 325 E HN 0.772 nan 8.360 nan 0.000 0.409 326 S N 3.047 118.727 115.700 -0.032 0.000 2.552 326 S HA 0.219 4.688 4.470 -0.001 0.000 0.289 326 S C 0.534 175.150 174.600 0.027 0.000 1.304 326 S CA 0.294 58.524 58.200 0.049 0.000 1.063 326 S CB 0.466 63.748 63.200 0.137 0.000 0.848 326 S HN 0.584 nan 8.310 nan 0.000 0.499 327 A N 3.748 126.592 122.820 0.040 0.000 2.423 327 A HA 0.623 4.942 4.320 -0.001 0.000 0.246 327 A C 0.961 178.556 177.584 0.018 0.000 1.278 327 A CA 0.300 52.349 52.037 0.021 0.000 0.903 327 A CB -0.978 18.033 19.000 0.018 0.000 0.997 327 A HN 1.863 nan 8.150 nan 0.000 0.510 328 G N -1.923 106.893 108.800 0.026 0.000 2.629 328 G HA2 0.069 4.029 3.960 -0.001 0.000 0.686 328 G HA3 0.069 4.029 3.960 -0.001 0.000 0.686 328 G C 0.603 175.518 174.900 0.026 0.000 1.232 328 G CA -0.095 45.005 45.100 -0.001 0.000 0.803 328 G HN 1.071 nan 8.290 nan 0.000 0.638 329 V N 0.754 120.650 119.914 -0.029 0.000 2.295 329 V HA -0.159 3.960 4.120 -0.001 0.000 0.246 329 V C 2.617 178.737 176.094 0.045 0.000 1.049 329 V CA 3.094 65.395 62.300 0.002 0.000 1.024 329 V CB -0.344 31.412 31.823 -0.112 0.000 0.648 329 V HN 0.763 nan 8.190 nan 0.000 0.447 330 Q N -0.321 119.487 119.800 0.013 0.000 2.079 330 Q HA -0.215 4.124 4.340 -0.001 0.000 0.200 330 Q C 2.146 178.158 176.000 0.020 0.000 0.974 330 Q CA 2.086 57.898 55.803 0.015 0.000 0.840 330 Q CB -0.270 28.470 28.738 0.003 0.000 0.898 330 Q HN 0.773 nan 8.270 nan 0.000 0.430 331 E N 0.827 121.040 120.200 0.021 0.000 2.072 331 E HA -0.150 4.200 4.350 -0.001 0.000 0.191 331 E C 1.656 178.272 176.600 0.027 0.000 0.985 331 E CA 1.182 57.595 56.400 0.020 0.000 0.801 331 E CB -0.084 29.627 29.700 0.018 0.000 0.750 331 E HN 0.279 nan 8.360 nan 0.000 0.452 332 D N 0.210 120.641 120.400 0.052 0.000 2.097 332 D HA -0.101 4.538 4.640 -0.001 0.000 0.195 332 D C 1.874 178.180 176.300 0.009 0.000 0.989 332 D CA 1.538 55.570 54.000 0.053 0.000 0.827 332 D CB -0.411 40.477 40.800 0.146 0.000 0.966 332 D HN 0.206 nan 8.370 nan 0.000 0.456 333 A N 0.812 123.650 122.820 0.029 0.000 1.972 333 A HA -0.019 4.300 4.320 -0.001 0.000 0.219 333 A C 2.257 179.831 177.584 -0.017 0.000 1.169 333 A CA 2.080 54.117 52.037 -0.000 0.000 0.635 333 A CB -0.585 18.429 19.000 0.023 0.000 0.810 333 A HN 0.235 nan 8.150 nan 0.000 0.446 334 A N -0.926 121.891 122.820 -0.004 0.000 1.897 334 A HA -0.006 4.313 4.320 -0.001 0.000 0.215 334 A C 2.421 180.000 177.584 -0.008 0.000 1.181 334 A CA 1.823 53.858 52.037 -0.004 0.000 0.620 334 A CB -0.784 18.218 19.000 0.003 0.000 0.821 334 A HN 0.414 nan 8.150 nan 0.000 0.443 335 S N -0.484 115.210 115.700 -0.010 0.000 2.382 335 S HA -0.121 4.349 4.470 -0.001 0.000 0.228 335 S C 1.819 176.406 174.600 -0.021 0.000 1.027 335 S CA 1.354 59.551 58.200 -0.004 0.000 0.991 335 S CB -0.335 62.864 63.200 -0.001 0.000 0.823 335 S HN 0.408 nan 8.310 nan 0.000 0.469 336 L N 1.955 123.114 121.223 -0.106 0.000 2.083 336 L HA 0.032 4.372 4.340 -0.001 0.000 0.209 336 L C 2.170 179.015 176.870 -0.042 0.000 1.083 336 L CA 1.587 56.298 54.840 -0.215 0.000 0.752 336 L CB -0.706 41.144 42.059 -0.349 0.000 0.899 336 L HN 0.171 nan 8.230 nan 0.000 0.433 337 R N -1.640 118.848 120.500 -0.019 0.000 2.081 337 R HA -0.129 4.211 4.340 -0.001 0.000 0.235 337 R C 2.117 178.434 176.300 0.027 0.000 1.131 337 R CA 1.539 57.646 56.100 0.013 0.000 0.960 337 R CB -0.477 29.823 30.300 0.000 0.000 0.856 337 R HN 0.259 nan 8.270 nan 0.000 0.436 338 V N 0.552 120.481 119.914 0.025 0.000 2.358 338 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 338 V C 1.901 178.002 176.094 0.013 0.000 1.047 338 V CA 1.628 63.935 62.300 0.012 0.000 1.035 338 V CB -0.582 31.250 31.823 0.015 0.000 0.658 338 V HN 0.220 nan 8.190 nan 0.000 0.452 339 F N 1.656 121.554 119.950 -0.086 0.000 2.087 339 F HA -0.291 4.235 4.527 -0.001 0.000 0.299 339 F C 2.407 178.142 175.800 -0.109 0.000 1.100 339 F CA 2.502 60.444 58.000 -0.096 0.000 1.226 339 F CB -0.515 38.419 39.000 -0.111 0.000 0.983 339 F HN 0.135 nan 8.300 nan 0.000 0.479 340 T N -0.259 114.375 114.554 0.133 0.000 2.777 340 T HA -0.168 4.182 4.350 -0.001 0.000 0.266 340 T C 1.669 176.352 174.700 -0.027 0.000 1.040 340 T CA 1.596 63.780 62.100 0.141 0.000 1.141 340 T CB -0.328 68.699 68.868 0.266 0.000 0.868 340 T HN 0.369 nan 8.240 nan 0.000 0.444 341 E N 1.071 121.235 120.200 -0.061 0.000 2.118 341 E HA -0.073 4.276 4.350 -0.001 0.000 0.195 341 E C 2.436 178.899 176.600 -0.228 0.000 0.992 341 E CA 1.044 57.380 56.400 -0.106 0.000 0.804 341 E CB -0.177 29.476 29.700 -0.078 0.000 0.741 341 E HN 0.491 nan 8.360 nan 0.000 0.458 342 A N 0.832 123.451 122.820 -0.336 0.000 1.872 342 A HA -0.128 4.192 4.320 -0.001 0.000 0.214 342 A C 2.113 179.209 177.584 -0.814 0.000 1.187 342 A CA 0.925 52.599 52.037 -0.604 0.000 0.614 342 A CB -0.212 18.474 19.000 -0.523 0.000 0.826 342 A HN 0.093 nan 8.150 nan 0.000 0.442 343 M N 0.027 119.282 119.600 -0.574 0.000 2.108 343 M HA -0.133 4.346 4.480 -0.001 0.000 0.261 343 M C 2.182 178.394 176.300 -0.147 0.000 1.066 343 M CA 2.115 57.208 55.300 -0.345 0.000 1.107 343 M CB -1.965 30.358 32.600 -0.461 0.000 1.356 343 M HN 0.453 nan 8.290 nan 0.000 0.406 344 T N 0.112 114.589 114.554 -0.129 0.000 2.708 344 T HA -0.131 4.218 4.350 -0.001 0.000 0.266 344 T C 1.976 176.618 174.700 -0.096 0.000 1.037 344 T CA 1.208 63.273 62.100 -0.059 0.000 1.146 344 T CB -0.236 68.608 68.868 -0.040 0.000 0.865 344 T HN 0.379 nan 8.240 nan 0.000 0.435 345 R N 0.035 120.414 120.500 -0.202 0.000 2.105 345 R HA -0.084 4.256 4.340 -0.001 0.000 0.239 345 R C 1.910 178.163 176.300 -0.078 0.000 1.135 345 R CA 1.223 57.213 56.100 -0.184 0.000 0.967 345 R CB -0.346 29.780 30.300 -0.290 0.000 0.861 345 R HN 0.435 nan 8.270 nan 0.000 0.442 346 Y N 0.197 120.436 120.300 -0.100 0.000 2.578 346 Y HA 0.056 4.606 4.550 -0.000 0.000 0.297 346 Y C 0.837 176.682 175.900 -0.091 0.000 1.176 346 Y CA -0.163 57.861 58.100 -0.125 0.000 1.315 346 Y CB -0.342 38.067 38.460 -0.085 0.000 1.031 346 Y HN -0.031 nan 8.280 nan 0.000 0.524 347 S N -0.042 115.698 115.700 0.068 0.000 3.926 347 S HA -0.015 4.455 4.470 -0.001 0.000 0.478 347 S C -0.227 174.396 174.600 0.039 0.000 0.830 347 S CA 0.409 58.634 58.200 0.042 0.000 1.318 347 S CB -1.420 61.793 63.200 0.022 0.000 0.848 347 S HN 0.831 nan 8.310 nan 0.000 0.628 348 A N 2.548 125.411 122.820 0.072 0.000 3.330 348 A HA 0.597 4.917 4.320 -0.001 0.000 0.256 348 A C -2.899 174.817 177.584 0.220 0.000 1.185 348 A CA -0.743 51.371 52.037 0.129 0.000 0.940 348 A CB 0.775 19.880 19.000 0.176 0.000 1.397 348 A HN 0.409 nan 8.150 nan 0.000 0.678 349 P HA 0.361 nan 4.420 nan 0.000 0.274 349 P C -2.699 174.673 177.300 0.119 0.000 1.231 349 P CA -1.149 62.021 63.100 0.116 0.000 0.790 349 P CB 0.401 32.100 31.700 -0.001 0.000 0.951 350 P HA 0.086 nan 4.420 nan 0.000 0.277 350 P C 0.612 177.854 177.300 -0.096 0.000 1.240 350 P CA 0.009 63.016 63.100 -0.155 0.000 0.798 350 P CB 0.940 32.506 31.700 -0.223 0.000 0.979 351 G N 1.573 110.310 108.800 -0.105 0.000 2.417 351 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.212 351 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.212 351 G C 0.063 174.923 174.900 -0.066 0.000 1.187 351 G CA 0.388 45.452 45.100 -0.059 0.000 0.804 351 G HN 0.490 nan 8.290 nan 0.000 0.534 352 D N 0.283 120.630 120.400 -0.088 0.000 2.457 352 D HA 0.389 5.028 4.640 -0.001 0.000 0.240 352 D C -2.761 173.485 176.300 -0.089 0.000 1.041 352 D CA -1.166 52.793 54.000 -0.068 0.000 0.861 352 D CB 2.265 43.037 40.800 -0.047 0.000 1.394 352 D HN -0.064 nan 8.370 nan 0.000 0.473 353 P HA 0.178 nan 4.420 nan 0.000 0.271 353 P C -2.321 174.959 177.300 -0.035 0.000 1.216 353 P CA -0.898 62.179 63.100 -0.038 0.000 0.776 353 P CB -0.196 31.495 31.700 -0.016 0.000 0.881 354 P HA 0.085 nan 4.420 nan 0.000 0.272 354 P C -0.983 176.297 177.300 -0.033 0.000 1.223 354 P CA -0.045 63.060 63.100 0.008 0.000 0.784 354 P CB 0.722 32.452 31.700 0.051 0.000 0.923 355 Q N 2.718 122.518 119.800 -0.000 0.000 2.337 355 Q HA 0.478 4.817 4.340 -0.001 0.000 0.270 355 Q C -2.724 173.277 176.000 0.001 0.000 1.043 355 Q CA -2.318 53.480 55.803 -0.007 0.000 0.794 355 Q CB 2.038 30.785 28.738 0.015 0.000 1.281 355 Q HN 0.214 nan 8.270 nan 0.000 0.446 356 P HA 0.136 nan 4.420 nan 0.000 0.271 356 P C -1.104 176.114 177.300 -0.136 0.000 1.216 356 P CA 0.056 63.101 63.100 -0.092 0.000 0.771 356 P CB 0.791 32.440 31.700 -0.084 0.000 0.864 357 E N 1.800 121.857 120.200 -0.239 0.000 2.256 357 E HA 0.246 4.596 4.350 -0.001 0.000 0.267 357 E C -0.521 175.875 176.600 -0.341 0.000 0.892 357 E CA -0.417 55.886 56.400 -0.162 0.000 0.775 357 E CB 1.460 31.140 29.700 -0.034 0.000 1.207 357 E HN 0.435 nan 8.360 nan 0.000 0.420 358 Y N -0.337 120.106 120.300 0.238 0.000 2.557 358 Y HA 0.175 4.725 4.550 -0.001 0.000 0.247 358 Y C 0.239 176.386 175.900 0.412 0.000 1.164 358 Y CA -0.406 57.902 58.100 0.347 0.000 1.218 358 Y CB 1.058 39.623 38.460 0.174 0.000 1.210 358 Y HN 0.240 nan 8.280 nan 0.000 0.529 359 D N 0.439 120.979 120.400 0.234 0.000 2.549 359 D HA 0.114 4.753 4.640 -0.001 0.000 0.251 359 D C 0.733 176.771 176.300 -0.438 0.000 1.153 359 D CA -0.341 53.640 54.000 -0.031 0.000 0.861 359 D CB 1.710 42.513 40.800 0.005 0.000 1.207 359 D HN 0.093 nan 8.370 nan 0.000 0.543 360 L N 4.324 124.916 121.223 -1.052 0.000 2.089 360 L HA -0.151 4.188 4.340 -0.001 0.000 0.213 360 L C 1.589 178.127 176.870 -0.554 0.000 1.079 360 L CA 1.996 56.125 54.840 -1.185 0.000 0.758 360 L CB -0.297 40.877 42.059 -1.474 0.000 0.891 360 L HN 0.540 nan 8.230 nan 0.000 0.433 361 E N -0.951 119.026 120.200 -0.373 0.000 2.418 361 E HA -0.121 4.229 4.350 -0.001 0.000 0.197 361 E C 1.861 178.363 176.600 -0.163 0.000 1.026 361 E CA 0.555 56.820 56.400 -0.225 0.000 0.862 361 E CB -0.114 29.498 29.700 -0.147 0.000 0.799 361 E HN 0.552 nan 8.360 nan 0.000 0.518 362 L N 0.740 121.864 121.223 -0.164 0.000 2.607 362 L HA 0.212 4.552 4.340 -0.001 0.000 0.228 362 L C 0.670 177.484 176.870 -0.095 0.000 1.123 362 L CA -0.100 54.682 54.840 -0.098 0.000 0.890 362 L CB 0.164 42.190 42.059 -0.055 0.000 1.103 362 L HN 0.030 nan 8.230 nan 0.000 0.468 363 I N 0.192 120.675 120.570 -0.145 0.000 2.342 363 I HA 0.098 4.268 4.170 -0.001 0.000 0.291 363 I C 0.144 176.210 176.117 -0.086 0.000 1.010 363 I CA 0.120 61.355 61.300 -0.108 0.000 1.308 363 I CB 1.347 39.264 38.000 -0.139 0.000 1.400 363 I HN -0.101 nan 8.210 nan 0.000 0.488 364 T N 5.158 119.686 114.554 -0.044 0.000 2.744 364 T HA 0.413 4.763 4.350 -0.001 0.000 0.291 364 T C -0.110 174.584 174.700 -0.010 0.000 0.957 364 T CA -0.546 61.541 62.100 -0.021 0.000 1.002 364 T CB 0.689 69.554 68.868 -0.005 0.000 0.919 364 T HN 0.743 nan 8.240 nan 0.000 0.468 365 S N 1.121 116.816 115.700 -0.007 0.000 2.548 365 S HA 0.389 4.859 4.470 -0.001 0.000 0.276 365 S C 0.100 174.714 174.600 0.024 0.000 1.129 365 S CA -0.808 57.392 58.200 0.000 0.000 0.931 365 S CB 0.582 63.765 63.200 -0.028 0.000 1.068 365 S HN 0.879 nan 8.310 nan 0.000 0.480 366 C N 2.431 121.751 119.300 0.033 0.000 4.028 366 C HA -0.157 4.303 4.460 -0.001 0.000 0.300 366 C C 1.370 176.432 174.990 0.119 0.000 1.399 366 C CA 0.763 59.824 59.018 0.072 0.000 2.051 366 C CB -3.305 24.476 27.740 0.068 0.000 1.318 366 C HN 1.707 nan 8.230 nan 0.000 0.696 367 S N -1.705 114.053 115.700 0.095 0.000 3.380 367 S HA -0.194 4.276 4.470 -0.001 0.000 0.300 367 S C 0.257 174.922 174.600 0.108 0.000 1.255 367 S CA 1.273 59.531 58.200 0.097 0.000 0.963 367 S CB -0.853 62.419 63.200 0.120 0.000 1.106 367 S HN 1.036 nan 8.310 nan 0.000 0.629 368 S N 1.813 117.578 115.700 0.107 0.000 2.599 368 S HA 0.716 5.185 4.470 -0.001 0.000 0.287 368 S C -0.449 174.176 174.600 0.041 0.000 1.105 368 S CA -1.003 57.277 58.200 0.133 0.000 0.899 368 S CB 1.687 65.028 63.200 0.234 0.000 1.100 368 S HN 0.561 nan 8.310 nan 0.000 0.482 369 N N -0.235 118.474 118.700 0.015 0.000 2.229 369 N HA 0.434 5.174 4.740 -0.001 0.000 0.298 369 N C -1.042 174.399 175.510 -0.115 0.000 1.114 369 N CA -0.598 52.415 53.050 -0.063 0.000 0.776 369 N CB 1.108 39.551 38.487 -0.074 0.000 1.501 369 N HN 0.309 nan 8.380 nan 0.000 0.474 370 V N 0.721 120.533 119.914 -0.170 0.000 2.673 370 V HA 0.203 4.322 4.120 -0.001 0.000 0.303 370 V C 0.703 176.654 176.094 -0.239 0.000 1.046 370 V CA 0.368 62.538 62.300 -0.217 0.000 1.126 370 V CB 0.643 32.320 31.823 -0.243 0.000 0.934 370 V HN 0.873 nan 8.190 nan 0.000 0.487 371 S N 2.786 118.264 115.700 -0.370 0.000 2.705 371 S HA 0.790 5.260 4.470 -0.001 0.000 0.280 371 S C -1.299 173.155 174.600 -0.244 0.000 1.174 371 S CA -0.423 57.586 58.200 -0.318 0.000 0.823 371 S CB 2.053 65.029 63.200 -0.373 0.000 1.162 371 S HN 0.714 nan 8.310 nan 0.000 0.487 372 V N 1.056 120.937 119.914 -0.056 0.000 2.789 372 V HA 0.965 5.084 4.120 -0.001 0.000 0.311 372 V C -0.328 175.760 176.094 -0.010 0.000 1.073 372 V CA 0.279 62.524 62.300 -0.093 0.000 0.921 372 V CB 1.183 32.817 31.823 -0.314 0.000 1.009 372 V HN 1.283 nan 8.190 nan 0.000 0.426 373 A N 4.964 127.666 122.820 -0.196 0.000 2.507 373 A HA 0.902 5.221 4.320 -0.001 0.000 0.284 373 A C -1.141 176.030 177.584 -0.689 0.000 1.281 373 A CA -0.617 51.155 52.037 -0.442 0.000 0.744 373 A CB 1.739 20.262 19.000 -0.795 0.000 1.332 373 A HN 0.940 nan 8.150 nan 0.000 0.454 374 H N 0.193 118.953 119.070 -0.517 0.000 2.637 374 H HA 0.370 4.925 4.556 -0.001 0.000 0.363 374 H C -1.072 174.047 175.328 -0.348 0.000 1.131 374 H CA -0.446 55.337 56.048 -0.441 0.000 1.183 374 H CB 1.884 31.334 29.762 -0.521 0.000 1.637 374 H HN 0.910 nan 8.280 nan 0.000 0.531 375 D N 0.833 121.205 120.400 -0.046 0.000 2.440 375 D HA 0.170 4.809 4.640 -0.001 0.000 0.269 375 D C 1.408 177.834 176.300 0.210 0.000 1.249 375 D CA -0.225 53.808 54.000 0.054 0.000 1.055 375 D CB 0.249 41.055 40.800 0.010 0.000 1.104 375 D HN 0.465 nan 8.370 nan 0.000 0.561 376 A N -0.009 122.897 122.820 0.143 0.000 1.884 376 A HA -0.231 4.089 4.320 -0.001 0.000 0.219 376 A C 2.191 179.837 177.584 0.103 0.000 1.197 376 A CA 2.693 54.789 52.037 0.098 0.000 0.637 376 A CB -1.343 17.686 19.000 0.049 0.000 0.827 376 A HN 0.528 nan 8.150 nan 0.000 0.450 377 S N -1.791 113.958 115.700 0.082 0.000 2.507 377 S HA 0.257 4.727 4.470 -0.001 0.000 0.235 377 S C 1.557 176.205 174.600 0.080 0.000 0.988 377 S CA 1.309 59.547 58.200 0.063 0.000 0.944 377 S CB -0.218 63.008 63.200 0.043 0.000 0.762 377 S HN 1.830 nan 8.310 nan 0.000 0.526 378 G N 1.535 110.411 108.800 0.127 0.000 2.175 378 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.244 378 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.244 378 G C 0.065 175.056 174.900 0.152 0.000 0.982 378 G CA 0.254 45.421 45.100 0.111 0.000 0.641 378 G HN 0.556 nan 8.290 nan 0.000 0.527 379 K N 0.899 121.352 120.400 0.089 0.000 2.295 379 K HA 0.441 4.760 4.320 -0.001 0.000 0.270 379 K C 0.689 177.244 176.600 -0.075 0.000 1.011 379 K CA -0.683 55.626 56.287 0.037 0.000 0.953 379 K CB 0.339 32.839 32.500 0.001 0.000 0.956 379 K HN 0.291 nan 8.250 nan 0.000 0.477 380 R N 1.787 122.172 120.500 -0.192 0.000 2.489 380 R HA 0.140 4.479 4.340 -0.001 0.000 0.287 380 R C -0.749 175.289 176.300 -0.437 0.000 1.053 380 R CA -0.323 55.469 56.100 -0.514 0.000 1.036 380 R CB 0.802 30.804 30.300 -0.497 0.000 0.966 380 R HN 0.276 nan 8.270 nan 0.000 0.432 381 V N 4.825 124.442 119.914 -0.495 0.000 2.483 381 V HA 0.246 4.365 4.120 -0.001 0.000 0.297 381 V C -0.840 175.075 176.094 -0.299 0.000 1.027 381 V CA -0.931 61.187 62.300 -0.304 0.000 0.855 381 V CB 1.147 32.856 31.823 -0.189 0.000 0.995 381 V HN 0.572 nan 8.190 nan 0.000 0.424 382 Y N 5.167 125.453 120.300 -0.025 0.000 2.304 382 Y HA 0.636 5.186 4.550 -0.001 0.000 0.327 382 Y C 0.082 176.043 175.900 0.102 0.000 1.209 382 Y CA -0.140 57.952 58.100 -0.013 0.000 1.299 382 Y CB 0.994 39.403 38.460 -0.085 0.000 1.249 382 Y HN 0.737 nan 8.280 nan 0.000 0.519 383 Y N -1.112 119.241 120.300 0.089 0.000 2.689 383 Y HA 0.718 5.267 4.550 -0.001 0.000 0.333 383 Y C -2.298 173.646 175.900 0.075 0.000 1.208 383 Y CA -2.137 55.994 58.100 0.051 0.000 1.055 383 Y CB 0.692 39.154 38.460 0.003 0.000 1.304 383 Y HN 0.402 nan 8.280 nan 0.000 0.455 384 L N 2.288 123.546 121.223 0.058 0.000 2.295 384 L HA 0.764 5.104 4.340 -0.001 0.000 0.285 384 L C 0.158 177.198 176.870 0.283 0.000 1.035 384 L CA -0.456 54.408 54.840 0.041 0.000 0.806 384 L CB 1.907 44.014 42.059 0.080 0.000 1.214 384 L HN 0.971 nan 8.230 nan 0.000 0.426 385 T N 2.443 117.133 114.554 0.226 0.000 2.804 385 T HA 0.822 5.172 4.350 -0.001 0.000 0.290 385 T C -1.279 173.576 174.700 0.258 0.000 1.099 385 T CA -0.663 61.678 62.100 0.402 0.000 1.011 385 T CB 1.650 70.738 68.868 0.366 0.000 1.291 385 T HN 0.782 nan 8.240 nan 0.000 0.523 386 R N 0.560 121.142 120.500 0.136 0.000 2.716 386 R HA 0.458 4.798 4.340 -0.001 0.000 0.271 386 R C -1.356 174.765 176.300 -0.297 0.000 1.028 386 R CA -1.014 55.027 56.100 -0.097 0.000 0.883 386 R CB 0.503 30.692 30.300 -0.186 0.000 1.250 386 R HN 0.551 nan 8.270 nan 0.000 0.465 387 D N 2.233 122.468 120.400 -0.276 0.000 2.531 387 D HA 0.008 4.648 4.640 -0.001 0.000 0.239 387 D C -1.329 174.595 176.300 -0.625 0.000 1.144 387 D CA -0.889 52.900 54.000 -0.352 0.000 0.869 387 D CB 1.134 41.810 40.800 -0.205 0.000 1.160 387 D HN 0.352 nan 8.370 nan 0.000 0.484 388 P HA 0.016 nan 4.420 nan 0.000 0.253 388 P C 1.068 178.038 177.300 -0.551 0.000 1.260 388 P CA 0.056 62.478 63.100 -1.130 0.000 0.800 388 P CB 0.302 31.217 31.700 -1.307 0.000 1.162 389 T N -0.191 114.159 114.554 -0.340 0.000 2.652 389 T HA -0.126 4.224 4.350 -0.001 0.000 0.267 389 T C 1.753 176.380 174.700 -0.122 0.000 1.039 389 T CA 2.335 64.333 62.100 -0.169 0.000 1.153 389 T CB -1.054 67.761 68.868 -0.088 0.000 0.863 389 T HN 0.204 nan 8.240 nan 0.000 0.428 390 T N 2.270 116.753 114.554 -0.118 0.000 2.708 390 T HA -0.053 4.296 4.350 -0.001 0.000 0.266 390 T C -0.527 174.114 174.700 -0.098 0.000 1.037 390 T CA 1.191 63.245 62.100 -0.075 0.000 1.146 390 T CB -1.307 67.548 68.868 -0.022 0.000 0.865 390 T HN 0.329 nan 8.240 nan 0.000 0.435 391 P HA -0.036 nan 4.420 nan 0.000 0.216 391 P C 1.420 178.739 177.300 0.031 0.000 1.150 391 P CA 1.007 64.083 63.100 -0.040 0.000 0.843 391 P CB -0.192 31.446 31.700 -0.104 0.000 0.787 392 L N -1.633 119.568 121.223 -0.037 0.000 2.131 392 L HA -0.040 4.299 4.340 -0.001 0.000 0.206 392 L C 2.507 179.412 176.870 0.059 0.000 1.087 392 L CA 1.157 56.008 54.840 0.019 0.000 0.767 392 L CB -1.150 40.882 42.059 -0.046 0.000 0.917 392 L HN -0.079 nan 8.230 nan 0.000 0.441 393 A N 0.496 123.338 122.820 0.036 0.000 1.908 393 A HA -0.235 4.084 4.320 -0.001 0.000 0.218 393 A C 2.400 180.054 177.584 0.116 0.000 1.181 393 A CA 1.722 53.803 52.037 0.074 0.000 0.627 393 A CB -0.484 18.534 19.000 0.029 0.000 0.818 393 A HN 0.323 nan 8.150 nan 0.000 0.445 394 R N -0.762 119.775 120.500 0.062 0.000 2.075 394 R HA -0.012 4.327 4.340 -0.001 0.000 0.232 394 R C 2.515 178.969 176.300 0.255 0.000 1.126 394 R CA 1.076 57.232 56.100 0.092 0.000 0.963 394 R CB -0.472 29.820 30.300 -0.014 0.000 0.858 394 R HN 0.511 nan 8.270 nan 0.000 0.435 395 A N 1.391 124.385 122.820 0.290 0.000 1.940 395 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 395 A C 2.365 180.203 177.584 0.423 0.000 1.176 395 A CA 1.833 54.167 52.037 0.494 0.000 0.631 395 A CB -0.642 18.666 19.000 0.515 0.000 0.814 395 A HN 0.411 nan 8.150 nan 0.000 0.446 396 A N -1.494 121.477 122.820 0.251 0.000 1.902 396 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 396 A C 2.088 179.793 177.584 0.202 0.000 1.181 396 A CA 1.339 53.480 52.037 0.174 0.000 0.623 396 A CB -0.813 18.266 19.000 0.132 0.000 0.818 396 A HN 0.834 nan 8.150 nan 0.000 0.443 397 W N 0.963 122.314 121.300 0.084 0.000 2.355 397 W HA -0.147 4.512 4.660 -0.001 0.000 0.309 397 W C 1.655 178.229 176.519 0.091 0.000 1.206 397 W CA 1.961 59.341 57.345 0.057 0.000 1.284 397 W CB -0.332 29.143 29.460 0.025 0.000 1.145 397 W HN 0.535 nan 8.180 nan 0.000 0.502 398 E N -0.802 119.672 120.200 0.457 0.000 2.347 398 E HA -0.127 4.222 4.350 -0.001 0.000 0.196 398 E C 1.966 178.766 176.600 0.334 0.000 1.008 398 E CA 1.441 58.091 56.400 0.417 0.000 0.852 398 E CB -0.116 29.887 29.700 0.504 0.000 0.783 398 E HN 0.071 nan 8.360 nan 0.000 0.505 399 T N 0.127 114.857 114.554 0.292 0.000 2.867 399 T HA -0.080 4.270 4.350 -0.001 0.000 0.268 399 T C 1.706 176.407 174.700 0.001 0.000 1.057 399 T CA 1.248 63.446 62.100 0.163 0.000 1.136 399 T CB 0.061 69.035 68.868 0.177 0.000 0.874 399 T HN 0.216 nan 8.240 nan 0.000 0.466 400 A N -0.092 122.686 122.820 -0.070 0.000 2.343 400 A HA 0.380 4.700 4.320 -0.001 0.000 0.223 400 A C 0.896 178.347 177.584 -0.221 0.000 1.214 400 A CA -0.087 51.848 52.037 -0.170 0.000 0.900 400 A CB 0.509 19.369 19.000 -0.232 0.000 0.942 400 A HN 0.051 nan 8.150 nan 0.000 0.507 401 R N 0.388 120.779 120.500 -0.182 0.000 2.533 401 R HA 0.312 4.652 4.340 -0.001 0.000 0.288 401 R C -1.701 174.578 176.300 -0.035 0.000 1.039 401 R CA -0.502 55.518 56.100 -0.133 0.000 0.909 401 R CB 0.713 30.976 30.300 -0.062 0.000 1.195 401 R HN 0.551 nan 8.270 nan 0.000 0.438 402 H N 0.872 120.009 119.070 0.112 0.000 2.886 402 H HA 0.147 4.702 4.556 -0.001 0.000 0.329 402 H C 0.624 176.030 175.328 0.131 0.000 1.044 402 H CA 0.836 56.958 56.048 0.122 0.000 1.456 402 H CB 0.741 30.549 29.762 0.077 0.000 1.464 402 H HN 0.506 nan 8.280 nan 0.000 0.573 403 T N 0.222 114.924 114.554 0.246 0.000 2.907 403 T HA 0.237 4.586 4.350 -0.001 0.000 0.292 403 T C -1.769 172.974 174.700 0.072 0.000 1.043 403 T CA -2.174 60.019 62.100 0.156 0.000 1.003 403 T CB 1.759 70.718 68.868 0.153 0.000 1.084 403 T HN 0.247 nan 8.240 nan 0.000 0.483 404 P HA 0.046 nan 4.420 nan 0.000 0.216 404 P C -0.114 177.171 177.300 -0.024 0.000 1.150 404 P CA 0.552 63.628 63.100 -0.040 0.000 0.843 404 P CB 0.109 31.782 31.700 -0.046 0.000 0.787 405 V N 0.781 120.683 119.914 -0.019 0.000 2.487 405 V HA 0.217 4.337 4.120 -0.001 0.000 0.298 405 V C -0.200 175.854 176.094 -0.065 0.000 1.028 405 V CA -0.848 61.426 62.300 -0.044 0.000 0.860 405 V CB 1.781 33.578 31.823 -0.044 0.000 0.991 405 V HN -0.024 nan 8.190 nan 0.000 0.427 406 N N 3.061 121.667 118.700 -0.156 0.000 2.602 406 N HA 0.066 4.806 4.740 -0.001 0.000 0.238 406 N C 1.324 176.594 175.510 -0.400 0.000 1.084 406 N CA 0.153 53.017 53.050 -0.309 0.000 0.952 406 N CB 1.573 39.712 38.487 -0.580 0.000 1.244 406 N HN 0.833 nan 8.380 nan 0.000 0.512 407 S N 1.934 117.525 115.700 -0.182 0.000 2.399 407 S HA -0.120 4.349 4.470 -0.001 0.000 0.231 407 S C 1.866 176.406 174.600 -0.100 0.000 1.022 407 S CA 0.171 58.303 58.200 -0.112 0.000 0.983 407 S CB -0.425 62.760 63.200 -0.025 0.000 0.803 407 S HN 0.794 nan 8.310 nan 0.000 0.480 408 W N 1.422 122.630 121.300 -0.154 0.000 2.342 408 W HA -0.080 4.580 4.660 -0.001 0.000 0.297 408 W C 1.695 178.107 176.519 -0.178 0.000 1.213 408 W CA 0.576 57.774 57.345 -0.245 0.000 1.251 408 W CB -1.039 27.875 29.460 -0.909 0.000 1.136 408 W HN 0.362 nan 8.180 nan 0.000 0.526 409 L N 2.848 123.462 121.223 -1.015 0.000 2.072 409 L HA 0.172 4.511 4.340 -0.001 0.000 0.205 409 L C 2.670 179.345 176.870 -0.326 0.000 1.079 409 L CA 2.743 57.053 54.840 -0.883 0.000 0.752 409 L CB -1.407 39.875 42.059 -1.295 0.000 0.906 409 L HN 0.048 nan 8.230 nan 0.000 0.436 410 G N -0.606 108.027 108.800 -0.277 0.000 2.418 410 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.217 410 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.217 410 G C 1.467 176.369 174.900 0.003 0.000 1.158 410 G CA 0.764 45.785 45.100 -0.131 0.000 0.771 410 G HN 0.439 nan 8.290 nan 0.000 0.545 411 N N 0.586 119.344 118.700 0.097 0.000 2.166 411 N HA -0.025 4.714 4.740 -0.001 0.000 0.186 411 N C 2.247 177.887 175.510 0.217 0.000 1.019 411 N CA 0.672 53.898 53.050 0.294 0.000 0.856 411 N CB -0.191 38.529 38.487 0.388 0.000 0.993 411 N HN 0.339 nan 8.380 nan 0.000 0.426 412 I N 0.928 121.588 120.570 0.151 0.000 2.179 412 I HA -0.239 3.930 4.170 -0.001 0.000 0.242 412 I C 2.013 178.166 176.117 0.061 0.000 1.088 412 I CA 0.905 62.275 61.300 0.117 0.000 1.357 412 I CB -0.146 37.998 38.000 0.239 0.000 1.051 412 I HN 0.040 nan 8.210 nan 0.000 0.409 413 I N -0.114 120.493 120.570 0.062 0.000 2.142 413 I HA -0.309 3.861 4.170 -0.001 0.000 0.240 413 I C 2.399 178.590 176.117 0.123 0.000 1.078 413 I CA 1.336 62.686 61.300 0.083 0.000 1.343 413 I CB -0.212 37.824 38.000 0.059 0.000 1.046 413 I HN 0.215 nan 8.210 nan 0.000 0.405 414 M N -1.070 118.538 119.600 0.013 0.000 2.447 414 M HA -0.056 4.424 4.480 -0.001 0.000 0.264 414 M C 0.854 176.958 176.300 -0.327 0.000 1.095 414 M CA 1.474 56.690 55.300 -0.141 0.000 1.125 414 M CB -0.523 31.890 32.600 -0.312 0.000 1.389 414 M HN 0.204 nan 8.290 nan 0.000 0.459 415 Y N -0.647 119.622 120.300 -0.053 0.000 2.720 415 Y HA 0.477 5.026 4.550 -0.001 0.000 0.268 415 Y C 1.808 177.412 175.900 -0.493 0.000 1.142 415 Y CA -0.332 57.618 58.100 -0.250 0.000 1.193 415 Y CB -0.755 37.507 38.460 -0.331 0.000 1.176 415 Y HN 0.150 nan 8.280 nan 0.000 0.542 416 A N 1.067 123.636 122.820 -0.417 0.000 1.927 416 A HA -0.188 4.131 4.320 -0.001 0.000 0.220 416 A C -0.464 176.804 177.584 -0.526 0.000 1.185 416 A CA 1.831 53.589 52.037 -0.464 0.000 0.639 416 A CB -1.393 17.337 19.000 -0.449 0.000 0.820 416 A HN 0.282 nan 8.150 nan 0.000 0.451 417 P HA 0.048 nan 4.420 nan 0.000 0.245 417 P C 0.527 177.533 177.300 -0.491 0.000 1.212 417 P CA 1.096 63.891 63.100 -0.509 0.000 0.774 417 P CB -0.333 31.091 31.700 -0.461 0.000 0.999 418 T N -2.463 111.799 114.554 -0.487 0.000 2.904 418 T HA 0.188 4.537 4.350 -0.001 0.000 0.290 418 T C 1.103 175.369 174.700 -0.724 0.000 1.018 418 T CA -0.736 61.037 62.100 -0.545 0.000 1.075 418 T CB 0.783 69.153 68.868 -0.831 0.000 0.986 418 T HN -0.136 nan 8.240 nan 0.000 0.523 419 L N 2.252 122.970 121.223 -0.843 0.000 2.042 419 L HA 0.024 4.363 4.340 -0.001 0.000 0.210 419 L C 2.293 178.828 176.870 -0.559 0.000 1.076 419 L CA 1.586 55.880 54.840 -0.911 0.000 0.749 419 L CB -1.108 40.304 42.059 -1.077 0.000 0.893 419 L HN 0.911 nan 8.230 nan 0.000 0.432 420 W N -0.586 120.493 121.300 -0.368 0.000 2.453 420 W HA 0.144 4.804 4.660 -0.001 0.000 0.289 420 W C 2.021 178.392 176.519 -0.246 0.000 1.215 420 W CA 0.703 57.869 57.345 -0.297 0.000 1.297 420 W CB -1.329 27.992 29.460 -0.232 0.000 1.113 420 W HN 0.329 nan 8.180 nan 0.000 0.551 421 A N 1.912 124.263 122.820 -0.782 0.000 1.930 421 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 421 A C 2.255 179.673 177.584 -0.276 0.000 1.175 421 A CA 1.627 53.359 52.037 -0.508 0.000 0.627 421 A CB -0.711 17.844 19.000 -0.742 0.000 0.815 421 A HN 0.291 nan 8.150 nan 0.000 0.443 422 R N -0.983 119.270 120.500 -0.411 0.000 2.057 422 R HA 0.057 4.396 4.340 -0.001 0.000 0.229 422 R C 2.229 178.330 176.300 -0.331 0.000 1.136 422 R CA 1.702 57.579 56.100 -0.371 0.000 0.952 422 R CB -0.345 29.599 30.300 -0.593 0.000 0.848 422 R HN 0.500 nan 8.270 nan 0.000 0.430 423 M N -0.305 118.962 119.600 -0.555 0.000 2.288 423 M HA 0.005 4.484 4.480 -0.001 0.000 0.266 423 M C 1.860 178.093 176.300 -0.112 0.000 1.072 423 M CA 1.411 56.436 55.300 -0.459 0.000 1.132 423 M CB 0.143 32.407 32.600 -0.561 0.000 1.386 423 M HN 0.118 nan 8.290 nan 0.000 0.432 424 I N -0.705 119.660 120.570 -0.343 0.000 2.962 424 I HA -0.087 4.082 4.170 -0.001 0.000 0.246 424 I C 2.082 178.030 176.117 -0.283 0.000 1.091 424 I CA 0.314 61.160 61.300 -0.757 0.000 1.469 424 I CB -0.237 37.239 38.000 -0.874 0.000 1.324 424 I HN 0.114 nan 8.210 nan 0.000 0.461 425 L N 0.350 121.577 121.223 0.006 0.000 1.989 425 L HA -0.230 4.110 4.340 -0.001 0.000 0.211 425 L C 2.714 179.871 176.870 0.478 0.000 1.071 425 L CA 1.725 56.761 54.840 0.328 0.000 0.749 425 L CB -0.512 41.776 42.059 0.383 0.000 0.890 425 L HN 0.287 nan 8.230 nan 0.000 0.431 426 M N -0.912 118.935 119.600 0.413 0.000 2.080 426 M HA -0.196 4.284 4.480 -0.001 0.000 0.260 426 M C 2.317 179.128 176.300 0.852 0.000 1.068 426 M CA 2.087 57.748 55.300 0.602 0.000 1.109 426 M CB -0.724 32.017 32.600 0.236 0.000 1.342 426 M HN 0.269 nan 8.290 nan 0.000 0.405 427 T N -1.333 113.676 114.554 0.758 0.000 2.708 427 T HA -0.208 4.141 4.350 -0.001 0.000 0.266 427 T C 1.656 176.649 174.700 0.488 0.000 1.037 427 T CA 1.828 64.355 62.100 0.712 0.000 1.146 427 T CB -0.487 68.838 68.868 0.762 0.000 0.865 427 T HN 0.443 nan 8.240 nan 0.000 0.435 428 H N 0.417 119.647 119.070 0.266 0.000 2.293 428 H HA -0.010 4.546 4.556 -0.001 0.000 0.300 428 H C 1.781 176.958 175.328 -0.252 0.000 1.082 428 H CA 1.635 57.687 56.048 0.007 0.000 1.308 428 H CB -0.531 29.067 29.762 -0.273 0.000 1.375 428 H HN 0.352 nan 8.280 nan 0.000 0.495 429 F N -1.047 118.837 119.950 -0.110 0.000 2.206 429 F HA -0.020 4.506 4.527 -0.001 0.000 0.298 429 F C 2.076 177.672 175.800 -0.340 0.000 1.090 429 F CA 0.567 58.251 58.000 -0.526 0.000 1.323 429 F CB -0.609 37.653 39.000 -1.230 0.000 1.028 429 F HN 0.132 nan 8.300 nan 0.000 0.492 430 F N -0.316 119.714 119.950 0.134 0.000 2.171 430 F HA -0.230 4.296 4.527 -0.001 0.000 0.300 430 F C 2.778 178.592 175.800 0.024 0.000 1.090 430 F CA 1.640 59.733 58.000 0.155 0.000 1.293 430 F CB -1.030 38.167 39.000 0.328 0.000 1.013 430 F HN -0.064 nan 8.300 nan 0.000 0.486 431 S N 0.501 116.265 115.700 0.105 0.000 2.348 431 S HA -0.191 4.278 4.470 -0.001 0.000 0.221 431 S C 2.164 176.712 174.600 -0.087 0.000 1.033 431 S CA 1.550 59.743 58.200 -0.012 0.000 1.010 431 S CB -0.543 62.635 63.200 -0.038 0.000 0.891 431 S HN 0.326 nan 8.310 nan 0.000 0.442 432 I N 1.279 121.724 120.570 -0.208 0.000 2.208 432 I HA -0.209 3.961 4.170 -0.001 0.000 0.245 432 I C 2.263 178.323 176.117 -0.095 0.000 1.097 432 I CA 1.273 62.449 61.300 -0.207 0.000 1.363 432 I CB -0.386 37.403 38.000 -0.352 0.000 1.051 432 I HN 0.334 nan 8.210 nan 0.000 0.413 433 L N -0.086 121.085 121.223 -0.086 0.000 2.093 433 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 433 L C 2.529 179.407 176.870 0.012 0.000 1.085 433 L CA 1.081 55.901 54.840 -0.033 0.000 0.755 433 L CB -0.444 41.559 42.059 -0.093 0.000 0.904 433 L HN 0.252 nan 8.230 nan 0.000 0.435 434 L N -0.178 121.063 121.223 0.030 0.000 1.989 434 L HA -0.231 4.108 4.340 -0.001 0.000 0.211 434 L C 2.877 179.756 176.870 0.015 0.000 1.071 434 L CA 1.421 56.286 54.840 0.043 0.000 0.749 434 L CB -0.662 41.425 42.059 0.046 0.000 0.890 434 L HN 0.243 nan 8.230 nan 0.000 0.431 435 A N -1.120 121.696 122.820 -0.007 0.000 1.978 435 A HA -0.214 4.105 4.320 -0.001 0.000 0.220 435 A C 2.047 179.631 177.584 0.000 0.000 1.170 435 A CA 1.500 53.529 52.037 -0.012 0.000 0.636 435 A CB -0.255 18.727 19.000 -0.031 0.000 0.810 435 A HN 0.464 nan 8.150 nan 0.000 0.448 436 Q N -0.757 119.048 119.800 0.008 0.000 2.282 436 Q HA 0.088 4.428 4.340 -0.001 0.000 0.206 436 Q C -0.505 175.512 176.000 0.028 0.000 0.878 436 Q CA 0.340 56.156 55.803 0.022 0.000 0.944 436 Q CB 0.114 28.873 28.738 0.035 0.000 1.100 436 Q HN 0.794 nan 8.270 nan 0.000 0.509 437 E N 0.645 120.863 120.200 0.029 0.000 2.328 437 E HA -0.265 4.084 4.350 -0.001 0.000 0.233 437 E C -0.208 176.419 176.600 0.044 0.000 1.219 437 E CA 0.352 56.775 56.400 0.037 0.000 0.717 437 E CB -1.320 28.398 29.700 0.031 0.000 1.210 437 E HN 0.470 nan 8.360 nan 0.000 0.381 438 Q N -0.385 119.443 119.800 0.048 0.000 2.189 438 Q HA 0.213 4.553 4.340 -0.001 0.000 0.221 438 Q C 1.737 177.775 176.000 0.064 0.000 0.848 438 Q CA -0.266 55.571 55.803 0.056 0.000 1.007 438 Q CB 0.382 29.159 28.738 0.065 0.000 1.116 438 Q HN 0.391 nan 8.270 nan 0.000 0.481 439 L N 0.309 121.574 121.223 0.069 0.000 2.079 439 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 439 L C 2.013 178.941 176.870 0.097 0.000 1.081 439 L CA 1.388 56.282 54.840 0.089 0.000 0.752 439 L CB -0.121 42.023 42.059 0.142 0.000 0.896 439 L HN 0.321 nan 8.230 nan 0.000 0.433 440 E N -0.073 120.178 120.200 0.085 0.000 2.435 440 E HA -0.080 4.270 4.350 -0.001 0.000 0.195 440 E C 0.719 177.362 176.600 0.071 0.000 1.029 440 E CA -0.049 56.399 56.400 0.079 0.000 0.865 440 E CB 0.308 30.047 29.700 0.066 0.000 0.833 440 E HN 0.227 nan 8.360 nan 0.000 0.510 441 K N 1.485 121.927 120.400 0.069 0.000 2.349 441 K HA 0.200 4.520 4.320 -0.001 0.000 0.289 441 K C -0.598 176.044 176.600 0.069 0.000 1.064 441 K CA -0.314 56.011 56.287 0.064 0.000 0.947 441 K CB 0.714 33.250 32.500 0.060 0.000 1.007 441 K HN -0.111 nan 8.250 nan 0.000 0.478 442 A N 5.396 128.254 122.820 0.063 0.000 2.520 442 A HA 0.241 4.561 4.320 -0.001 0.000 0.245 442 A C -0.447 177.169 177.584 0.053 0.000 1.072 442 A CA -0.018 52.056 52.037 0.061 0.000 0.761 442 A CB 0.035 19.076 19.000 0.068 0.000 1.004 442 A HN 0.772 nan 8.150 nan 0.000 0.499 443 L N 2.089 123.328 121.223 0.028 0.000 2.354 443 L HA 0.375 4.715 4.340 -0.001 0.000 0.269 443 L C -0.824 176.033 176.870 -0.021 0.000 1.005 443 L CA -1.088 53.751 54.840 -0.001 0.000 0.819 443 L CB 2.035 44.063 42.059 -0.052 0.000 1.311 443 L HN 0.566 nan 8.230 nan 0.000 0.423 444 D N 1.440 121.841 120.400 0.000 0.000 2.350 444 D HA 0.419 5.059 4.640 -0.001 0.000 0.249 444 D C -0.378 175.881 176.300 -0.068 0.000 1.119 444 D CA 0.074 54.087 54.000 0.020 0.000 0.886 444 D CB 1.215 42.059 40.800 0.074 0.000 1.195 444 D HN 0.603 nan 8.370 nan 0.000 0.437 445 C N 0.645 119.909 119.300 -0.059 0.000 3.323 445 C HA 0.673 5.132 4.460 -0.001 0.000 0.324 445 C C -1.093 173.874 174.990 -0.037 0.000 1.428 445 C CA -0.905 58.044 59.018 -0.115 0.000 1.368 445 C CB 1.440 29.042 27.740 -0.230 0.000 1.731 445 C HN 0.494 nan 8.230 nan 0.000 0.455 446 Q N 0.568 120.333 119.800 -0.057 0.000 2.337 446 Q HA 0.743 5.082 4.340 -0.001 0.000 0.266 446 Q C -1.374 174.583 176.000 -0.072 0.000 1.023 446 Q CA -0.355 55.448 55.803 -0.000 0.000 0.829 446 Q CB 2.480 31.232 28.738 0.023 0.000 1.306 446 Q HN 0.726 nan 8.270 nan 0.000 0.449 447 I N 2.408 122.935 120.570 -0.071 0.000 2.478 447 I HA 0.184 4.354 4.170 -0.001 0.000 0.287 447 I C -1.031 175.107 176.117 0.034 0.000 1.042 447 I CA -0.840 60.342 61.300 -0.198 0.000 1.067 447 I CB 1.156 38.809 38.000 -0.578 0.000 1.233 447 I HN 0.627 nan 8.210 nan 0.000 0.431 448 Y N 5.204 125.588 120.300 0.141 0.000 3.054 448 Y HA -0.257 4.292 4.550 -0.001 0.000 0.210 448 Y C 1.565 177.534 175.900 0.116 0.000 1.212 448 Y CA 1.123 59.342 58.100 0.198 0.000 1.118 448 Y CB -1.959 36.663 38.460 0.271 0.000 1.292 448 Y HN 0.986 nan 8.280 nan 0.000 0.533 449 G N -1.977 106.958 108.800 0.225 0.000 2.220 449 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.269 449 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.269 449 G C 0.528 175.516 174.900 0.147 0.000 0.977 449 G CA 0.296 45.490 45.100 0.157 0.000 0.634 449 G HN 1.563 nan 8.290 nan 0.000 0.539 450 A N -0.790 122.145 122.820 0.193 0.000 2.316 450 A HA 0.633 4.953 4.320 -0.001 0.000 0.284 450 A C 0.704 178.344 177.584 0.094 0.000 1.115 450 A CA 0.390 52.499 52.037 0.119 0.000 0.812 450 A CB 0.984 20.048 19.000 0.107 0.000 1.064 450 A HN 1.535 nan 8.150 nan 0.000 0.489 451 C N 2.413 121.693 119.300 -0.034 0.000 2.347 451 C HA 0.756 5.215 4.460 -0.001 0.000 0.353 451 C C -1.103 173.745 174.990 -0.236 0.000 1.273 451 C CA -0.489 58.539 59.018 0.018 0.000 1.861 451 C CB -1.440 26.377 27.740 0.128 0.000 2.420 451 C HN 0.624 nan 8.230 nan 0.000 0.542 452 Y N 2.903 123.055 120.300 -0.246 0.000 2.485 452 Y HA 0.501 5.050 4.550 -0.001 0.000 0.345 452 Y C 0.415 176.200 175.900 -0.192 0.000 0.998 452 Y CA -0.478 57.399 58.100 -0.372 0.000 1.059 452 Y CB 1.854 40.017 38.460 -0.494 0.000 1.234 452 Y HN 0.598 nan 8.280 nan 0.000 0.461 453 S N 3.696 119.378 115.700 -0.029 0.000 2.438 453 S HA 0.745 5.214 4.470 -0.001 0.000 0.316 453 S C -1.022 173.606 174.600 0.048 0.000 1.084 453 S CA -0.332 57.906 58.200 0.063 0.000 1.107 453 S CB -0.388 62.903 63.200 0.150 0.000 0.981 453 S HN 0.543 nan 8.310 nan 0.000 0.466 454 I N 3.901 124.493 120.570 0.037 0.000 2.533 454 I HA 0.365 4.535 4.170 -0.001 0.000 0.290 454 I C -0.347 175.800 176.117 0.050 0.000 1.056 454 I CA -0.639 60.693 61.300 0.054 0.000 1.057 454 I CB 2.287 40.311 38.000 0.041 0.000 1.240 454 I HN 0.554 nan 8.210 nan 0.000 0.423 455 E N 6.802 127.051 120.200 0.082 0.000 2.259 455 E HA 0.195 4.545 4.350 -0.001 0.000 0.281 455 E C -1.838 174.831 176.600 0.116 0.000 1.027 455 E CA -1.585 54.869 56.400 0.090 0.000 0.838 455 E CB 1.103 30.860 29.700 0.096 0.000 1.066 455 E HN 0.307 nan 8.360 nan 0.000 0.401 456 P HA -0.224 nan 4.420 nan 0.000 0.218 456 P C 1.016 178.495 177.300 0.300 0.000 1.152 456 P CA 1.266 64.468 63.100 0.169 0.000 0.857 456 P CB 0.184 31.897 31.700 0.022 0.000 0.787 457 L N -1.015 120.354 121.223 0.244 0.000 2.353 457 L HA -0.151 4.189 4.340 -0.001 0.000 0.220 457 L C 1.380 178.360 176.870 0.183 0.000 1.133 457 L CA 1.168 56.154 54.840 0.244 0.000 0.798 457 L CB -0.684 41.480 42.059 0.174 0.000 0.922 457 L HN 0.003 nan 8.230 nan 0.000 0.445 458 D N -0.423 120.077 120.400 0.165 0.000 2.340 458 D HA 0.008 4.648 4.640 -0.001 0.000 0.220 458 D C 2.240 178.620 176.300 0.134 0.000 1.039 458 D CA 0.313 54.390 54.000 0.129 0.000 0.866 458 D CB 0.335 41.210 40.800 0.125 0.000 0.913 458 D HN 0.301 nan 8.370 nan 0.000 0.523 459 L N 0.965 122.304 121.223 0.194 0.000 2.042 459 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 459 L C -0.466 176.502 176.870 0.163 0.000 1.076 459 L CA 1.475 56.439 54.840 0.206 0.000 0.749 459 L CB -1.395 40.859 42.059 0.325 0.000 0.893 459 L HN 0.038 nan 8.230 nan 0.000 0.432 460 P HA -0.212 nan 4.420 nan 0.000 0.215 460 P C 1.372 178.715 177.300 0.071 0.000 1.157 460 P CA 1.332 64.445 63.100 0.023 0.000 0.874 460 P CB 0.058 31.617 31.700 -0.234 0.000 0.790 461 Q N -1.054 118.738 119.800 -0.014 0.000 2.119 461 Q HA -0.069 4.271 4.340 -0.001 0.000 0.201 461 Q C 2.160 178.139 176.000 -0.035 0.000 0.972 461 Q CA 1.173 56.958 55.803 -0.031 0.000 0.847 461 Q CB -0.917 27.792 28.738 -0.048 0.000 0.903 461 Q HN 0.264 nan 8.270 nan 0.000 0.433 462 I N -0.201 120.352 120.570 -0.027 0.000 2.179 462 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 462 I C 1.891 177.960 176.117 -0.080 0.000 1.088 462 I CA 1.125 62.348 61.300 -0.129 0.000 1.357 462 I CB -0.222 37.753 38.000 -0.043 0.000 1.051 462 I HN 0.193 nan 8.210 nan 0.000 0.409 463 I N 0.338 120.945 120.570 0.063 0.000 2.179 463 I HA -0.297 3.873 4.170 -0.001 0.000 0.242 463 I C 2.631 178.747 176.117 -0.001 0.000 1.088 463 I CA 1.437 62.791 61.300 0.091 0.000 1.357 463 I CB -0.452 37.608 38.000 0.099 0.000 1.051 463 I HN 0.295 nan 8.210 nan 0.000 0.409 464 E N 1.068 121.309 120.200 0.070 0.000 2.097 464 E HA -0.262 4.088 4.350 -0.001 0.000 0.196 464 E C 2.410 178.985 176.600 -0.041 0.000 1.000 464 E CA 1.253 57.681 56.400 0.047 0.000 0.804 464 E CB 0.123 29.921 29.700 0.164 0.000 0.740 464 E HN 0.287 nan 8.360 nan 0.000 0.454 465 R N 0.158 120.605 120.500 -0.088 0.000 2.066 465 R HA -0.085 4.255 4.340 -0.001 0.000 0.232 465 R C 2.523 178.707 176.300 -0.193 0.000 1.131 465 R CA 0.995 57.008 56.100 -0.145 0.000 0.955 465 R CB -0.711 29.460 30.300 -0.216 0.000 0.851 465 R HN 0.351 nan 8.270 nan 0.000 0.432 466 L N -0.456 120.608 121.223 -0.265 0.000 2.313 466 L HA -0.042 4.298 4.340 -0.001 0.000 0.214 466 L C 1.545 178.044 176.870 -0.618 0.000 1.119 466 L CA 0.991 55.559 54.840 -0.454 0.000 0.809 466 L CB -0.320 41.409 42.059 -0.551 0.000 0.933 466 L HN 0.263 nan 8.230 nan 0.000 0.449 467 H N -0.818 118.146 119.070 -0.176 0.000 3.440 467 H HA 0.311 4.867 4.556 -0.001 0.000 0.259 467 H C 0.877 176.106 175.328 -0.164 0.000 1.120 467 H CA 0.658 56.598 56.048 -0.179 0.000 1.191 467 H CB 1.245 30.873 29.762 -0.224 0.000 1.537 467 H HN 0.251 nan 8.280 nan 0.000 0.547 468 G N 1.470 110.237 108.800 -0.055 0.000 2.712 468 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.686 468 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.686 468 G C 0.438 175.283 174.900 -0.092 0.000 1.321 468 G CA -0.075 44.995 45.100 -0.050 0.000 0.813 468 G HN 0.177 nan 8.290 nan 0.000 0.599 469 L N 1.756 122.980 121.223 0.002 0.000 2.127 469 L HA -0.032 4.307 4.340 -0.001 0.000 0.211 469 L C 3.158 180.046 176.870 0.030 0.000 1.089 469 L CA 3.276 58.182 54.840 0.110 0.000 0.757 469 L CB -0.640 41.530 42.059 0.184 0.000 0.899 469 L HN 1.404 nan 8.230 nan 0.000 0.434 470 S N -0.972 114.709 115.700 -0.032 0.000 2.440 470 S HA -0.202 4.268 4.470 -0.001 0.000 0.238 470 S C 2.150 176.661 174.600 -0.149 0.000 1.010 470 S CA 0.841 59.011 58.200 -0.051 0.000 0.972 470 S CB -0.888 62.277 63.200 -0.058 0.000 0.774 470 S HN 0.472 nan 8.310 nan 0.000 0.501 471 A N 0.942 123.570 122.820 -0.319 0.000 2.032 471 A HA 0.032 4.351 4.320 -0.001 0.000 0.221 471 A C 1.608 178.950 177.584 -0.404 0.000 1.165 471 A CA 1.417 53.171 52.037 -0.472 0.000 0.645 471 A CB -0.950 17.647 19.000 -0.672 0.000 0.807 471 A HN 0.634 nan 8.150 nan 0.000 0.453 472 F N -0.159 119.800 119.950 0.014 0.000 2.765 472 F HA 0.130 4.656 4.527 -0.001 0.000 0.302 472 F C 1.868 177.705 175.800 0.062 0.000 1.111 472 F CA 0.657 58.690 58.000 0.056 0.000 1.359 472 F CB 0.051 39.117 39.000 0.111 0.000 1.097 472 F HN 0.269 nan 8.300 nan 0.000 0.577 473 S N -1.201 114.591 115.700 0.154 0.000 2.900 473 S HA 0.317 4.786 4.470 -0.001 0.000 0.253 473 S C -0.030 174.636 174.600 0.110 0.000 1.029 473 S CA -0.409 57.871 58.200 0.133 0.000 1.096 473 S CB -0.681 62.587 63.200 0.114 0.000 1.067 473 S HN 0.060 nan 8.310 nan 0.000 0.610 474 L N 3.128 124.347 121.223 -0.007 0.000 2.456 474 L HA 0.487 4.827 4.340 -0.001 0.000 0.272 474 L C 0.586 177.394 176.870 -0.102 0.000 1.189 474 L CA 0.003 54.737 54.840 -0.176 0.000 0.846 474 L CB 0.122 41.908 42.059 -0.454 0.000 1.111 474 L HN 0.709 nan 8.230 nan 0.000 0.475 475 H N -1.729 117.113 119.070 -0.379 0.000 2.883 475 H HA 0.313 4.868 4.556 -0.001 0.000 0.277 475 H C -0.324 174.867 175.328 -0.227 0.000 1.451 475 H CA -0.729 55.185 56.048 -0.223 0.000 1.157 475 H CB 0.864 30.617 29.762 -0.015 0.000 1.851 475 H HN 0.375 nan 8.280 nan 0.000 0.566 476 S N -0.368 115.277 115.700 -0.092 0.000 3.484 476 S HA -0.248 4.221 4.470 -0.001 0.000 0.384 476 S C -0.547 174.031 174.600 -0.037 0.000 0.932 476 S CA 0.636 58.799 58.200 -0.062 0.000 1.293 476 S CB -2.401 60.663 63.200 -0.225 0.000 0.919 476 S HN 0.489 nan 8.310 nan 0.000 0.540 477 Y N 1.688 122.010 120.300 0.038 0.000 2.335 477 Y HA 0.290 4.839 4.550 -0.001 0.000 0.348 477 Y C 1.420 177.365 175.900 0.075 0.000 1.280 477 Y CA 0.428 58.563 58.100 0.059 0.000 1.504 477 Y CB 0.371 38.860 38.460 0.049 0.000 1.366 477 Y HN 0.530 nan 8.280 nan 0.000 0.621 478 S N 1.118 116.971 115.700 0.255 0.000 2.585 478 S HA 0.158 4.628 4.470 -0.001 0.000 0.273 478 S C -2.037 172.642 174.600 0.132 0.000 1.339 478 S CA -1.124 57.166 58.200 0.151 0.000 1.028 478 S CB 1.275 64.543 63.200 0.112 0.000 0.906 478 S HN 0.417 nan 8.310 nan 0.000 0.528 479 P HA 0.011 nan 4.420 nan 0.000 0.215 479 P C 1.725 179.062 177.300 0.061 0.000 1.153 479 P CA 1.629 64.772 63.100 0.071 0.000 0.853 479 P CB -0.443 31.289 31.700 0.053 0.000 0.788 480 G N -0.139 108.694 108.800 0.055 0.000 2.418 480 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.217 480 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.217 480 G C 1.671 176.598 174.900 0.045 0.000 1.158 480 G CA 0.928 46.052 45.100 0.040 0.000 0.771 480 G HN 0.268 nan 8.290 nan 0.000 0.545 481 E N 0.731 120.977 120.200 0.075 0.000 2.028 481 E HA -0.046 4.303 4.350 -0.001 0.000 0.191 481 E C 2.444 179.084 176.600 0.067 0.000 0.988 481 E CA 0.755 57.211 56.400 0.093 0.000 0.799 481 E CB -0.435 29.373 29.700 0.181 0.000 0.755 481 E HN 0.473 nan 8.360 nan 0.000 0.447 482 I N 1.062 121.676 120.570 0.073 0.000 2.151 482 I HA -0.347 3.822 4.170 -0.001 0.000 0.243 482 I C 2.066 178.200 176.117 0.030 0.000 1.080 482 I CA 1.359 62.684 61.300 0.043 0.000 1.339 482 I CB -0.487 37.553 38.000 0.067 0.000 1.039 482 I HN 0.187 nan 8.210 nan 0.000 0.409 483 N N 0.534 119.254 118.700 0.033 0.000 2.166 483 N HA -0.192 4.548 4.740 -0.001 0.000 0.186 483 N C 1.923 177.437 175.510 0.006 0.000 1.019 483 N CA 1.145 54.208 53.050 0.021 0.000 0.856 483 N CB -0.389 38.112 38.487 0.023 0.000 0.993 483 N HN 0.364 nan 8.380 nan 0.000 0.426 484 R N 0.937 121.436 120.500 -0.001 0.000 2.073 484 R HA -0.050 4.290 4.340 -0.001 0.000 0.234 484 R C 1.978 178.248 176.300 -0.051 0.000 1.134 484 R CA 1.052 57.134 56.100 -0.029 0.000 0.952 484 R CB -0.182 30.095 30.300 -0.038 0.000 0.850 484 R HN -0.051 nan 8.270 nan 0.000 0.433 485 V N 1.119 121.009 119.914 -0.041 0.000 2.261 485 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 485 V C 2.507 178.583 176.094 -0.029 0.000 1.047 485 V CA 2.003 64.270 62.300 -0.054 0.000 1.015 485 V CB -0.896 30.920 31.823 -0.012 0.000 0.642 485 V HN 0.579 nan 8.190 nan 0.000 0.446 486 A N 0.712 123.530 122.820 -0.002 0.000 1.908 486 A HA -0.255 4.065 4.320 -0.001 0.000 0.218 486 A C 2.550 180.141 177.584 0.012 0.000 1.181 486 A CA 2.668 54.715 52.037 0.016 0.000 0.627 486 A CB -0.790 18.226 19.000 0.026 0.000 0.818 486 A HN 0.713 nan 8.150 nan 0.000 0.445 487 S N -1.312 114.388 115.700 0.001 0.000 2.414 487 S HA -0.176 4.294 4.470 -0.001 0.000 0.227 487 S C 2.054 176.653 174.600 -0.002 0.000 1.022 487 S CA 1.146 59.349 58.200 0.004 0.000 0.958 487 S CB -1.383 61.818 63.200 0.001 0.000 0.797 487 S HN 0.800 nan 8.310 nan 0.000 0.493 488 C N 2.020 121.302 119.300 -0.029 0.000 2.413 488 C HA 0.047 4.507 4.460 -0.001 0.000 0.276 488 C C 2.599 177.579 174.990 -0.017 0.000 1.248 488 C CA 0.932 59.925 59.018 -0.043 0.000 1.742 488 C CB -1.750 25.924 27.740 -0.110 0.000 2.017 488 C HN 0.700 nan 8.230 nan 0.000 0.481 489 L N 0.327 121.545 121.223 -0.007 0.000 2.093 489 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 489 L C 3.031 179.912 176.870 0.019 0.000 1.085 489 L CA 1.646 56.496 54.840 0.017 0.000 0.755 489 L CB -0.872 41.220 42.059 0.055 0.000 0.904 489 L HN 0.356 nan 8.230 nan 0.000 0.435 490 R N 0.533 121.052 120.500 0.031 0.000 2.073 490 R HA -0.178 4.162 4.340 -0.001 0.000 0.234 490 R C 2.351 178.714 176.300 0.105 0.000 1.134 490 R CA 1.372 57.503 56.100 0.052 0.000 0.952 490 R CB -0.319 30.012 30.300 0.053 0.000 0.850 490 R HN 0.277 nan 8.270 nan 0.000 0.433 491 K N 1.171 121.626 120.400 0.092 0.000 2.044 491 K HA -0.155 4.164 4.320 -0.001 0.000 0.210 491 K C 1.827 178.575 176.600 0.247 0.000 1.049 491 K CA 1.440 57.808 56.287 0.135 0.000 0.927 491 K CB -0.043 32.499 32.500 0.070 0.000 0.713 491 K HN 0.153 nan 8.250 nan 0.000 0.443 492 L N -0.670 120.627 121.223 0.123 0.000 2.509 492 L HA 0.140 4.479 4.340 -0.001 0.000 0.222 492 L C 0.972 177.733 176.870 -0.182 0.000 1.123 492 L CA 0.417 55.307 54.840 0.082 0.000 0.856 492 L CB 0.165 42.246 42.059 0.036 0.000 0.985 492 L HN 0.607 nan 8.230 nan 0.000 0.456 493 G N 1.000 109.559 108.800 -0.401 0.000 2.225 493 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.264 493 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.264 493 G C 0.012 174.765 174.900 -0.245 0.000 1.060 493 G CA 0.042 44.744 45.100 -0.663 0.000 0.833 493 G HN 0.096 nan 8.290 nan 0.000 0.498 494 V N 0.803 120.671 119.914 -0.077 0.000 2.546 494 V HA 0.401 4.521 4.120 -0.001 0.000 0.284 494 V C -1.214 174.954 176.094 0.122 0.000 1.050 494 V CA -1.491 60.855 62.300 0.076 0.000 0.981 494 V CB 1.449 33.343 31.823 0.119 0.000 0.990 494 V HN 0.179 nan 8.190 nan 0.000 0.474 495 P HA 0.118 nan 4.420 nan 0.000 0.266 495 P C -2.483 174.943 177.300 0.210 0.000 1.195 495 P CA -0.777 62.359 63.100 0.060 0.000 0.768 495 P CB -0.217 31.349 31.700 -0.222 0.000 0.838 496 P HA 0.009 nan 4.420 nan 0.000 0.268 496 P C 1.027 178.480 177.300 0.255 0.000 1.208 496 P CA 0.162 63.352 63.100 0.150 0.000 0.777 496 P CB 0.623 32.365 31.700 0.070 0.000 0.875 497 L N 1.622 123.010 121.223 0.275 0.000 2.137 497 L HA -0.257 4.082 4.340 -0.001 0.000 0.213 497 L C 2.816 179.865 176.870 0.299 0.000 1.085 497 L CA 1.975 57.014 54.840 0.332 0.000 0.760 497 L CB -0.790 41.372 42.059 0.172 0.000 0.893 497 L HN 0.495 nan 8.230 nan 0.000 0.434 498 R N -0.435 120.174 120.500 0.182 0.000 2.120 498 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 498 R C 1.950 178.320 176.300 0.116 0.000 1.123 498 R CA 1.481 57.667 56.100 0.144 0.000 0.975 498 R CB -1.001 29.343 30.300 0.074 0.000 0.866 498 R HN 0.158 nan 8.270 nan 0.000 0.446 499 V N 0.569 120.501 119.914 0.029 0.000 2.358 499 V HA -0.185 3.935 4.120 -0.001 0.000 0.246 499 V C 1.970 178.006 176.094 -0.097 0.000 1.047 499 V CA 1.811 64.040 62.300 -0.118 0.000 1.035 499 V CB -0.702 30.930 31.823 -0.318 0.000 0.658 499 V HN 0.388 nan 8.190 nan 0.000 0.452 500 W N 0.188 121.590 121.300 0.171 0.000 2.363 500 W HA -0.138 4.522 4.660 -0.001 0.000 0.296 500 W C 2.734 179.470 176.519 0.361 0.000 1.212 500 W CA 1.544 59.034 57.345 0.242 0.000 1.260 500 W CB -0.345 29.247 29.460 0.220 0.000 1.131 500 W HN 0.057 nan 8.180 nan 0.000 0.530 501 R N -0.325 120.514 120.500 0.566 0.000 2.083 501 R HA -0.244 4.096 4.340 -0.001 0.000 0.237 501 R C 2.104 178.554 176.300 0.250 0.000 1.137 501 R CA 2.166 58.569 56.100 0.505 0.000 0.951 501 R CB -0.731 29.828 30.300 0.432 0.000 0.851 501 R HN 0.200 nan 8.270 nan 0.000 0.434 502 H N 0.258 119.385 119.070 0.095 0.000 2.319 502 H HA -0.050 4.505 4.556 -0.001 0.000 0.299 502 H C 2.047 177.362 175.328 -0.022 0.000 1.092 502 H CA 2.203 58.254 56.048 0.005 0.000 1.302 502 H CB 0.105 29.853 29.762 -0.024 0.000 1.373 502 H HN 0.157 nan 8.280 nan 0.000 0.497 503 R N -0.410 120.113 120.500 0.040 0.000 2.096 503 R HA -0.047 4.293 4.340 -0.001 0.000 0.235 503 R C 2.524 178.790 176.300 -0.057 0.000 1.127 503 R CA 0.982 57.063 56.100 -0.033 0.000 0.968 503 R CB -0.275 30.037 30.300 0.019 0.000 0.861 503 R HN 0.353 nan 8.270 nan 0.000 0.440 504 A N 1.307 124.143 122.820 0.027 0.000 1.972 504 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 504 A C 2.059 179.406 177.584 -0.394 0.000 1.169 504 A CA 1.140 53.071 52.037 -0.177 0.000 0.635 504 A CB -0.322 18.637 19.000 -0.069 0.000 0.810 504 A HN 0.221 nan 8.150 nan 0.000 0.446 505 R N -0.566 119.756 120.500 -0.296 0.000 2.073 505 R HA -0.118 4.222 4.340 -0.001 0.000 0.234 505 R C 2.678 178.812 176.300 -0.277 0.000 1.134 505 R CA 1.528 57.457 56.100 -0.284 0.000 0.952 505 R CB -0.507 29.658 30.300 -0.225 0.000 0.850 505 R HN 0.579 nan 8.270 nan 0.000 0.433 506 S N 0.468 116.004 115.700 -0.273 0.000 2.354 506 S HA -0.155 4.314 4.470 -0.001 0.000 0.219 506 S C 2.104 176.564 174.600 -0.234 0.000 1.035 506 S CA 1.725 59.786 58.200 -0.231 0.000 1.037 506 S CB -0.370 62.702 63.200 -0.213 0.000 0.956 506 S HN 0.134 nan 8.310 nan 0.000 0.428 507 V N 2.791 122.535 119.914 -0.283 0.000 2.278 507 V HA -0.255 3.865 4.120 -0.001 0.000 0.251 507 V C 2.796 178.636 176.094 -0.423 0.000 1.062 507 V CA 2.565 64.656 62.300 -0.348 0.000 1.038 507 V CB -0.940 30.589 31.823 -0.490 0.000 0.646 507 V HN 0.539 nan 8.190 nan 0.000 0.447 508 R N -0.063 120.103 120.500 -0.558 0.000 2.080 508 R HA -0.216 4.123 4.340 -0.001 0.000 0.236 508 R C 2.337 178.516 176.300 -0.203 0.000 1.137 508 R CA 1.942 57.809 56.100 -0.387 0.000 0.943 508 R CB -0.545 29.555 30.300 -0.334 0.000 0.846 508 R HN 0.500 nan 8.270 nan 0.000 0.431 509 A N 1.075 123.783 122.820 -0.186 0.000 1.883 509 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 509 A C 2.213 179.741 177.584 -0.094 0.000 1.186 509 A CA 1.710 53.672 52.037 -0.125 0.000 0.624 509 A CB -0.521 18.406 19.000 -0.123 0.000 0.822 509 A HN 0.405 nan 8.150 nan 0.000 0.444 510 R N -0.630 119.809 120.500 -0.102 0.000 2.091 510 R HA -0.104 4.236 4.340 -0.001 0.000 0.238 510 R C 2.077 178.358 176.300 -0.032 0.000 1.136 510 R CA 1.664 57.727 56.100 -0.063 0.000 0.959 510 R CB -0.542 29.720 30.300 -0.063 0.000 0.856 510 R HN 0.534 nan 8.270 nan 0.000 0.437 511 L N 0.308 121.508 121.223 -0.038 0.000 2.056 511 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 511 L C 2.339 179.215 176.870 0.010 0.000 1.078 511 L CA 1.073 55.922 54.840 0.015 0.000 0.749 511 L CB -0.405 41.671 42.059 0.028 0.000 0.901 511 L HN 0.196 nan 8.230 nan 0.000 0.433 512 L N -0.803 120.409 121.223 -0.018 0.000 2.079 512 L HA -0.239 4.101 4.340 -0.001 0.000 0.210 512 L C 2.664 179.529 176.870 -0.008 0.000 1.081 512 L CA 1.163 55.994 54.840 -0.015 0.000 0.752 512 L CB -0.538 41.498 42.059 -0.037 0.000 0.896 512 L HN 0.219 nan 8.230 nan 0.000 0.433 513 S N -0.701 114.991 115.700 -0.013 0.000 2.440 513 S HA -0.203 4.267 4.470 -0.001 0.000 0.238 513 S C 1.747 176.350 174.600 0.004 0.000 1.010 513 S CA 1.103 59.297 58.200 -0.009 0.000 0.972 513 S CB -0.180 63.011 63.200 -0.014 0.000 0.774 513 S HN 0.522 nan 8.310 nan 0.000 0.501 514 Q N 0.418 120.227 119.800 0.015 0.000 2.425 514 Q HA 0.268 4.608 4.340 -0.001 0.000 0.204 514 Q C 1.320 177.337 176.000 0.028 0.000 0.933 514 Q CA 0.243 56.061 55.803 0.026 0.000 0.939 514 Q CB 0.055 28.817 28.738 0.041 0.000 1.044 514 Q HN 0.519 nan 8.270 nan 0.000 0.513 515 G N 0.756 109.571 108.800 0.024 0.000 2.682 515 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.256 515 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.256 515 G C 0.526 175.448 174.900 0.036 0.000 1.333 515 G CA -0.095 45.020 45.100 0.025 0.000 0.904 515 G HN 0.652 nan 8.290 nan 0.000 0.569 516 G N -0.820 108.000 108.800 0.033 0.000 2.602 516 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.317 516 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.317 516 G C 1.183 176.111 174.900 0.047 0.000 1.327 516 G CA 1.703 46.825 45.100 0.037 0.000 0.971 516 G HN 1.474 nan 8.290 nan 0.000 0.540 517 R N 0.007 120.540 120.500 0.054 0.000 2.091 517 R HA 0.039 4.378 4.340 -0.001 0.000 0.238 517 R C 3.303 179.657 176.300 0.091 0.000 1.136 517 R CA 2.385 58.525 56.100 0.066 0.000 0.959 517 R CB -0.710 29.635 30.300 0.076 0.000 0.856 517 R HN 0.733 nan 8.270 nan 0.000 0.437 518 A N 0.664 123.545 122.820 0.103 0.000 1.892 518 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 518 A C 2.310 179.949 177.584 0.092 0.000 1.188 518 A CA 1.977 54.090 52.037 0.126 0.000 0.631 518 A CB -0.835 18.233 19.000 0.113 0.000 0.822 518 A HN 0.461 nan 8.150 nan 0.000 0.447 519 A N -1.332 121.526 122.820 0.064 0.000 1.930 519 A HA -0.020 4.299 4.320 -0.001 0.000 0.217 519 A C 2.266 179.885 177.584 0.059 0.000 1.175 519 A CA 2.112 54.176 52.037 0.045 0.000 0.627 519 A CB -1.197 17.821 19.000 0.030 0.000 0.815 519 A HN 0.440 nan 8.150 nan 0.000 0.443 520 T N -0.536 114.061 114.554 0.072 0.000 2.720 520 T HA -0.218 4.131 4.350 -0.001 0.000 0.268 520 T C 1.897 176.653 174.700 0.093 0.000 1.037 520 T CA 1.674 63.835 62.100 0.102 0.000 1.144 520 T CB -0.727 68.156 68.868 0.025 0.000 0.864 520 T HN 0.582 nan 8.240 nan 0.000 0.444 521 C N 1.295 120.626 119.300 0.053 0.000 2.429 521 C HA 0.047 4.506 4.460 -0.001 0.000 0.277 521 C C 3.116 178.116 174.990 0.016 0.000 1.262 521 C CA 0.428 59.439 59.018 -0.011 0.000 1.733 521 C CB -1.566 26.175 27.740 0.001 0.000 2.010 521 C HN 0.734 nan 8.230 nan 0.000 0.483 522 G N 0.265 109.108 108.800 0.071 0.000 2.446 522 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.217 522 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.217 522 G C 1.610 176.544 174.900 0.056 0.000 1.168 522 G CA 1.259 46.420 45.100 0.103 0.000 0.771 522 G HN 0.636 nan 8.290 nan 0.000 0.551 523 K N -0.878 119.521 120.400 -0.002 0.000 2.002 523 K HA -0.098 4.221 4.320 -0.001 0.000 0.209 523 K C 2.260 178.712 176.600 -0.245 0.000 1.048 523 K CA 1.380 57.595 56.287 -0.120 0.000 0.930 523 K CB -0.299 32.122 32.500 -0.132 0.000 0.714 523 K HN 0.412 nan 8.250 nan 0.000 0.438 524 Y N 0.568 120.705 120.300 -0.271 0.000 2.231 524 Y HA 0.020 4.569 4.550 -0.001 0.000 0.294 524 Y C 1.999 177.668 175.900 -0.387 0.000 1.120 524 Y CA 0.789 58.567 58.100 -0.537 0.000 1.141 524 Y CB -0.041 37.820 38.460 -0.999 0.000 1.022 524 Y HN -0.046 nan 8.280 nan 0.000 0.523 525 L N -1.654 119.464 121.223 -0.174 0.000 2.201 525 L HA -0.161 4.178 4.340 -0.001 0.000 0.212 525 L C 0.699 177.311 176.870 -0.430 0.000 1.105 525 L CA 1.450 56.113 54.840 -0.295 0.000 0.775 525 L CB -0.371 41.270 42.059 -0.697 0.000 0.913 525 L HN 0.211 nan 8.230 nan 0.000 0.440 526 F N -1.710 118.202 119.950 -0.062 0.000 2.735 526 F HA 0.184 4.710 4.527 -0.001 0.000 0.308 526 F C 1.714 177.234 175.800 -0.466 0.000 1.112 526 F CA -0.341 57.449 58.000 -0.351 0.000 1.235 526 F CB -0.648 38.138 39.000 -0.355 0.000 1.027 526 F HN 0.006 nan 8.300 nan 0.000 0.528 527 N N 0.998 119.634 118.700 -0.107 0.000 2.289 527 N HA -0.177 4.563 4.740 -0.001 0.000 0.184 527 N C 1.900 177.376 175.510 -0.056 0.000 1.016 527 N CA 1.488 54.480 53.050 -0.097 0.000 0.872 527 N CB -0.081 38.368 38.487 -0.064 0.000 0.973 527 N HN 0.572 nan 8.380 nan 0.000 0.433 528 W N 0.208 121.549 121.300 0.069 0.000 2.421 528 W HA 0.065 4.725 4.660 -0.001 0.000 0.270 528 W C 1.400 177.975 176.519 0.093 0.000 1.233 528 W CA 0.603 57.994 57.345 0.078 0.000 1.226 528 W CB -0.628 28.893 29.460 0.101 0.000 1.121 528 W HN -0.020 nan 8.180 nan 0.000 0.579 529 A N 1.472 123.885 122.820 -0.679 0.000 2.132 529 A HA 0.195 4.515 4.320 -0.001 0.000 0.213 529 A C 1.079 178.514 177.584 -0.249 0.000 1.154 529 A CA 0.910 52.545 52.037 -0.669 0.000 0.753 529 A CB -0.796 17.527 19.000 -1.127 0.000 0.826 529 A HN 0.109 nan 8.150 nan 0.000 0.469 530 V N -1.584 118.221 119.914 -0.182 0.000 2.617 530 V HA 0.366 4.486 4.120 -0.001 0.000 0.298 530 V C 1.071 177.137 176.094 -0.047 0.000 1.048 530 V CA -0.254 61.983 62.300 -0.104 0.000 0.964 530 V CB 1.434 33.190 31.823 -0.110 0.000 1.004 530 V HN 0.528 nan 8.190 nan 0.000 0.466 531 K N 2.091 122.473 120.400 -0.030 0.000 2.103 531 K HA 0.001 4.320 4.320 -0.001 0.000 0.204 531 K C 0.531 177.116 176.600 -0.026 0.000 1.052 531 K CA 1.375 57.654 56.287 -0.013 0.000 0.945 531 K CB -0.247 32.251 32.500 -0.004 0.000 0.722 531 K HN 0.707 nan 8.250 nan 0.000 0.443 532 T N 2.433 116.965 114.554 -0.036 0.000 2.832 532 T HA 0.280 4.629 4.350 -0.001 0.000 0.313 532 T C -0.827 173.842 174.700 -0.052 0.000 1.035 532 T CA -0.783 61.292 62.100 -0.041 0.000 0.950 532 T CB 1.222 70.068 68.868 -0.037 0.000 0.984 532 T HN 0.012 nan 8.240 nan 0.000 0.486 533 K N 2.725 123.092 120.400 -0.054 0.000 2.382 533 K HA 0.262 4.582 4.320 -0.001 0.000 0.275 533 K C 0.308 176.865 176.600 -0.072 0.000 1.009 533 K CA -0.231 56.018 56.287 -0.063 0.000 0.970 533 K CB 0.240 32.706 32.500 -0.056 0.000 0.934 533 K HN 0.516 nan 8.250 nan 0.000 0.479 534 L N 3.062 124.229 121.223 -0.094 0.000 2.426 534 L HA 0.148 4.487 4.340 -0.001 0.000 0.271 534 L C 0.536 177.342 176.870 -0.108 0.000 1.169 534 L CA -0.653 54.123 54.840 -0.107 0.000 0.836 534 L CB 0.348 42.320 42.059 -0.144 0.000 1.112 534 L HN 0.315 nan 8.230 nan 0.000 0.465 535 K N 3.064 123.413 120.400 -0.086 0.000 2.402 535 K HA 0.246 4.566 4.320 -0.001 0.000 0.285 535 K C -0.486 176.051 176.600 -0.105 0.000 1.054 535 K CA -0.289 55.956 56.287 -0.069 0.000 1.001 535 K CB 0.436 32.912 32.500 -0.041 0.000 0.946 535 K HN 0.237 nan 8.250 nan 0.000 0.473 536 L N 2.448 123.610 121.223 -0.101 0.000 2.275 536 L HA 0.351 4.691 4.340 -0.001 0.000 0.288 536 L C 0.556 177.433 176.870 0.012 0.000 1.046 536 L CA 0.200 54.947 54.840 -0.156 0.000 0.805 536 L CB 1.567 43.525 42.059 -0.168 0.000 1.193 536 L HN 0.501 nan 8.230 nan 0.000 0.426 537 T N 4.741 119.342 114.554 0.078 0.000 2.916 537 T HA 0.602 4.951 4.350 -0.001 0.000 0.292 537 T C -2.579 172.266 174.700 0.242 0.000 1.055 537 T CA -1.540 60.640 62.100 0.134 0.000 1.009 537 T CB 1.882 70.798 68.868 0.080 0.000 1.118 537 T HN 0.253 nan 8.240 nan 0.000 0.497 538 P HA 0.195 nan 4.420 nan 0.000 0.266 538 P C -0.835 176.506 177.300 0.069 0.000 1.193 538 P CA 0.122 63.292 63.100 0.118 0.000 0.770 538 P CB 0.194 31.936 31.700 0.071 0.000 0.836 539 I N 3.210 123.753 120.570 -0.045 0.000 2.437 539 I HA 0.387 4.556 4.170 -0.001 0.000 0.298 539 I C -1.647 174.428 176.117 -0.070 0.000 0.984 539 I CA -2.203 59.018 61.300 -0.131 0.000 1.214 539 I CB 0.701 38.475 38.000 -0.376 0.000 1.365 539 I HN 0.283 nan 8.210 nan 0.000 0.469 540 P HA 0.592 nan 4.420 nan 0.000 0.307 540 P C -0.306 176.972 177.300 -0.037 0.000 1.306 540 P CA -0.126 62.957 63.100 -0.028 0.000 0.742 540 P CB 0.265 31.960 31.700 -0.010 0.000 1.349 551 F N 0.934 121.114 119.950 0.382 0.000 2.550 551 F HA 0.517 5.043 4.527 -0.001 0.000 0.348 551 F C 0.534 176.443 175.800 0.182 0.000 1.219 551 F CA -0.285 57.898 58.000 0.305 0.000 1.203 551 F CB 0.237 39.400 39.000 0.272 0.000 1.436 551 F HN -0.358 nan 8.300 nan 0.000 0.541 552 V N 0.234 120.307 119.914 0.265 0.000 2.996 552 V HA 0.614 4.733 4.120 -0.001 0.000 0.235 552 V C 0.820 177.009 176.094 0.157 0.000 1.205 552 V CA 0.617 63.026 62.300 0.181 0.000 1.225 552 V CB 0.564 32.487 31.823 0.166 0.000 0.995 552 V HN 0.480 nan 8.190 nan 0.000 0.484 553 A N -0.716 122.131 122.820 0.045 0.000 2.602 553 A HA 0.799 5.119 4.320 -0.001 0.000 0.290 553 A C -0.383 176.780 177.584 -0.701 0.000 1.114 553 A CA 0.081 52.003 52.037 -0.193 0.000 0.683 553 A CB 1.182 19.954 19.000 -0.380 0.000 1.281 553 A HN 0.410 nan 8.150 nan 0.000 0.416 554 G N -1.277 106.803 108.800 -1.201 0.000 2.388 554 G HA2 0.564 4.524 3.960 -0.001 0.000 0.330 554 G HA3 0.564 4.524 3.960 -0.001 0.000 0.330 554 G C -1.058 173.150 174.900 -1.154 0.000 1.142 554 G CA -0.156 43.935 45.100 -1.681 0.000 0.908 554 G HN 0.602 nan 8.290 nan 0.000 0.473 555 Y N 0.891 120.992 120.300 -0.331 0.000 2.742 555 Y HA 0.322 4.871 4.550 -0.001 0.000 0.248 555 Y C 1.243 177.097 175.900 -0.075 0.000 1.132 555 Y CA -0.845 57.167 58.100 -0.146 0.000 1.142 555 Y CB 0.543 38.975 38.460 -0.046 0.000 1.222 555 Y HN 0.491 nan 8.280 nan 0.000 0.575 556 S N 0.586 116.289 115.700 0.006 0.000 2.537 556 S HA 0.351 4.820 4.470 -0.001 0.000 0.286 556 S C 1.435 176.082 174.600 0.079 0.000 1.299 556 S CA 1.424 59.667 58.200 0.071 0.000 1.067 556 S CB 0.198 63.454 63.200 0.092 0.000 0.864 556 S HN 1.045 nan 8.310 nan 0.000 0.494 557 G N 3.440 112.291 108.800 0.085 0.000 2.212 557 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.266 557 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.266 557 G C 0.813 175.766 174.900 0.088 0.000 0.978 557 G CA 0.438 45.589 45.100 0.086 0.000 0.632 557 G HN 1.301 nan 8.290 nan 0.000 0.537 558 G N -0.202 108.658 108.800 0.100 0.000 3.042 558 G HA2 0.406 4.366 3.960 -0.001 0.000 0.212 558 G HA3 0.406 4.366 3.960 -0.001 0.000 0.212 558 G C 0.439 175.381 174.900 0.071 0.000 1.166 558 G CA 1.153 46.322 45.100 0.115 0.000 0.767 558 G HN 1.289 nan 8.290 nan 0.000 0.546 559 D N -0.391 120.028 120.400 0.033 0.000 2.716 559 D HA -0.163 4.477 4.640 -0.001 0.000 0.239 559 D C -0.151 176.123 176.300 -0.043 0.000 1.125 559 D CA 0.294 54.286 54.000 -0.013 0.000 0.681 559 D CB -1.294 39.498 40.800 -0.013 0.000 1.070 559 D HN 0.118 nan 8.370 nan 0.000 0.432 560 I N 1.445 121.981 120.570 -0.057 0.000 2.404 560 I HA 0.327 4.497 4.170 -0.001 0.000 0.293 560 I C 0.041 176.090 176.117 -0.114 0.000 0.992 560 I CA -0.798 60.406 61.300 -0.159 0.000 1.149 560 I CB 1.108 38.893 38.000 -0.357 0.000 1.315 560 I HN 0.092 nan 8.210 nan 0.000 0.446 561 Y N 6.177 126.296 120.300 -0.301 0.000 2.335 561 Y HA 0.387 4.937 4.550 -0.001 0.000 0.338 561 Y C -0.007 175.647 175.900 -0.409 0.000 0.977 561 Y CA -0.201 57.710 58.100 -0.315 0.000 1.114 561 Y CB 0.709 39.014 38.460 -0.257 0.000 1.182 561 Y HN 0.571 nan 8.280 nan 0.000 0.463 562 H N 0.000 118.423 119.070 -1.078 0.000 2.539 562 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 562 H CA 0.000 55.391 56.048 -1.095 0.000 1.023 562 H CB 0.000 28.727 29.762 -1.724 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496