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 2i1r_1_A DATA FIRST_RESID 1 DATA SEQUENCE HHSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK 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 EDAASLRAFT 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 AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHSL 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 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.213 175.328 -0.191 0.000 0.993 1 H CA 0.000 55.917 56.048 -0.218 0.000 1.023 1 H CB 0.000 29.680 29.762 -0.136 0.000 1.292 2 H N 1.198 120.270 119.070 0.003 0.000 2.683 2 H HA 0.099 4.655 4.556 -0.001 0.000 0.339 2 H C 1.461 176.712 175.328 -0.129 0.000 1.081 2 H CA 0.709 56.738 56.048 -0.031 0.000 1.432 2 H CB 1.481 31.235 29.762 -0.014 0.000 1.462 2 H HN 0.327 nan 8.280 nan 0.000 0.557 3 S N 2.509 118.149 115.700 -0.100 0.000 2.383 3 S HA -0.103 4.367 4.470 -0.001 0.000 0.229 3 S C 0.191 174.479 174.600 -0.521 0.000 1.030 3 S CA 1.035 59.027 58.200 -0.347 0.000 1.002 3 S CB -0.080 62.834 63.200 -0.477 0.000 0.829 3 S HN 0.569 nan 8.310 nan 0.000 0.467 4 Y N 0.386 120.590 120.300 -0.161 0.000 2.625 4 Y HA 0.567 5.117 4.550 -0.001 0.000 0.338 4 Y C -0.211 175.436 175.900 -0.423 0.000 1.123 4 Y CA -0.861 57.015 58.100 -0.374 0.000 1.046 4 Y CB 1.878 39.999 38.460 -0.565 0.000 1.299 4 Y HN 0.131 nan 8.280 nan 0.000 0.464 5 T N -2.522 111.749 114.554 -0.472 0.000 2.909 5 T HA 0.698 5.048 4.350 -0.001 0.000 0.299 5 T C -1.597 172.756 174.700 -0.579 0.000 1.073 5 T CA -0.899 60.999 62.100 -0.337 0.000 0.999 5 T CB 1.308 70.118 68.868 -0.097 0.000 1.098 5 T HN 0.532 nan 8.240 nan 0.000 0.477 6 W N 0.867 122.212 121.300 0.075 0.000 2.883 6 W HA 0.480 5.140 4.660 -0.001 0.000 0.335 6 W C 1.352 177.893 176.519 0.037 0.000 1.083 6 W CA -0.794 56.582 57.345 0.052 0.000 1.233 6 W CB 2.030 31.502 29.460 0.020 0.000 1.412 6 W HN 0.925 nan 8.180 nan 0.000 0.490 7 T N -1.946 112.769 114.554 0.269 0.000 3.014 7 T HA 0.302 4.651 4.350 -0.001 0.000 0.263 7 T C 1.439 176.222 174.700 0.139 0.000 1.078 7 T CA 1.260 63.455 62.100 0.159 0.000 1.135 7 T CB -0.034 68.906 68.868 0.120 0.000 0.895 7 T HN 1.215 nan 8.240 nan 0.000 0.480 8 G N 1.095 109.990 108.800 0.159 0.000 2.380 8 G HA2 0.116 4.076 3.960 -0.001 0.000 0.197 8 G HA3 0.116 4.076 3.960 -0.001 0.000 0.197 8 G C 0.378 175.310 174.900 0.054 0.000 1.001 8 G CA -0.141 45.009 45.100 0.084 0.000 0.668 8 G HN 1.032 nan 8.290 nan 0.000 0.483 9 A N 1.072 123.937 122.820 0.075 0.000 2.531 9 A HA 0.591 4.911 4.320 -0.001 0.000 0.236 9 A C 0.748 178.352 177.584 0.033 0.000 1.062 9 A CA 0.372 52.440 52.037 0.052 0.000 0.760 9 A CB 0.091 19.130 19.000 0.065 0.000 0.995 9 A HN 0.897 nan 8.150 nan 0.000 0.501 10 L N 1.986 123.213 121.223 0.007 0.000 2.418 10 L HA 0.300 4.639 4.340 -0.001 0.000 0.265 10 L C 0.145 177.010 176.870 -0.008 0.000 1.143 10 L CA -0.336 54.492 54.840 -0.021 0.000 0.809 10 L CB 0.709 42.754 42.059 -0.023 0.000 1.124 10 L HN 0.547 nan 8.230 nan 0.000 0.456 11 I N 1.820 122.370 120.570 -0.032 0.000 2.379 11 I HA 0.080 4.250 4.170 -0.001 0.000 0.290 11 I C 0.568 176.684 176.117 -0.001 0.000 1.063 11 I CA -0.023 61.272 61.300 -0.008 0.000 1.351 11 I CB 0.727 38.710 38.000 -0.028 0.000 1.410 11 I HN 0.667 nan 8.210 nan 0.000 0.505 12 T N 5.199 119.761 114.554 0.012 0.000 2.929 12 T HA 0.587 4.936 4.350 -0.001 0.000 0.284 12 T C -2.448 172.267 174.700 0.024 0.000 1.014 12 T CA -1.972 60.137 62.100 0.014 0.000 1.051 12 T CB 1.917 70.793 68.868 0.013 0.000 1.028 12 T HN 0.306 nan 8.240 nan 0.000 0.485 13 P HA 0.301 nan 4.420 nan 0.000 0.281 13 P C 0.464 177.781 177.300 0.029 0.000 1.264 13 P CA -0.794 62.324 63.100 0.031 0.000 0.824 13 P CB 0.934 32.652 31.700 0.030 0.000 1.092 14 C N -0.591 118.729 119.300 0.033 0.000 2.778 14 C HA 0.846 5.306 4.460 -0.001 0.000 0.294 14 C C 0.533 175.535 174.990 0.020 0.000 1.331 14 C CA -0.406 58.628 59.018 0.026 0.000 1.741 14 C CB -1.308 26.453 27.740 0.035 0.000 2.106 14 C HN 0.727 nan 8.230 nan 0.000 0.603 15 A N 0.007 122.841 122.820 0.024 0.000 2.522 15 A HA 0.748 5.067 4.320 -0.001 0.000 0.291 15 A C -0.492 177.110 177.584 0.032 0.000 1.039 15 A CA 0.000 52.051 52.037 0.024 0.000 0.643 15 A CB -0.473 18.539 19.000 0.021 0.000 1.310 15 A HN 1.575 nan 8.150 nan 0.000 0.436 16 A N 0.231 123.072 122.820 0.035 0.000 2.511 16 A HA 0.510 4.830 4.320 -0.001 0.000 0.242 16 A C 0.091 177.712 177.584 0.061 0.000 1.069 16 A CA 0.595 52.659 52.037 0.044 0.000 0.763 16 A CB -0.282 18.744 19.000 0.043 0.000 1.001 16 A HN 0.615 nan 8.150 nan 0.000 0.498 17 E N 1.375 121.616 120.200 0.068 0.000 2.171 17 E HA 0.337 4.687 4.350 -0.001 0.000 0.271 17 E C -0.888 175.788 176.600 0.127 0.000 0.916 17 E CA -0.395 56.058 56.400 0.089 0.000 0.774 17 E CB 1.657 31.399 29.700 0.070 0.000 1.128 17 E HN 0.742 nan 8.360 nan 0.000 0.403 18 E N 1.213 121.532 120.200 0.199 0.000 2.175 18 E HA 0.224 4.574 4.350 -0.001 0.000 0.278 18 E C -0.174 176.648 176.600 0.369 0.000 0.969 18 E CA -0.189 56.376 56.400 0.276 0.000 0.796 18 E CB 1.679 31.590 29.700 0.352 0.000 1.104 18 E HN 0.370 nan 8.360 nan 0.000 0.395 19 S N 2.353 118.234 115.700 0.301 0.000 2.452 19 S HA 0.010 4.479 4.470 -0.001 0.000 0.225 19 S C 0.653 175.502 174.600 0.415 0.000 1.057 19 S CA 0.145 58.536 58.200 0.319 0.000 0.949 19 S CB 0.259 63.585 63.200 0.210 0.000 0.836 19 S HN 0.331 nan 8.310 nan 0.000 0.518 20 K N 1.988 122.552 120.400 0.272 0.000 2.326 20 K HA 0.175 4.495 4.320 -0.001 0.000 0.275 20 K C -0.534 176.094 176.600 0.046 0.000 1.018 20 K CA -0.430 55.971 56.287 0.190 0.000 0.962 20 K CB 0.366 32.920 32.500 0.090 0.000 0.953 20 K HN 0.045 nan 8.250 nan 0.000 0.475 21 L N 7.205 128.452 121.223 0.040 0.000 2.615 21 L HA 0.115 4.455 4.340 -0.001 0.000 0.271 21 L C -2.343 174.257 176.870 -0.450 0.000 1.183 21 L CA -0.855 53.828 54.840 -0.262 0.000 0.933 21 L CB 0.090 42.145 42.059 -0.006 0.000 1.199 21 L HN 0.525 nan 8.230 nan 0.000 0.487 22 P HA 0.173 nan 4.420 nan 0.000 0.268 22 P C -0.915 176.142 177.300 -0.405 0.000 1.205 22 P CA 0.082 62.861 63.100 -0.535 0.000 0.771 22 P CB 0.543 31.845 31.700 -0.663 0.000 0.858 23 I N 3.085 123.481 120.570 -0.290 0.000 2.569 23 I HA 0.416 4.586 4.170 -0.001 0.000 0.296 23 I C 0.361 176.369 176.117 -0.180 0.000 1.028 23 I CA -0.621 60.516 61.300 -0.272 0.000 1.082 23 I CB 1.696 39.539 38.000 -0.261 0.000 1.264 23 I HN 0.488 nan 8.210 nan 0.000 0.429 24 N N 3.637 122.245 118.700 -0.153 0.000 3.229 24 N HA 0.419 5.159 4.740 -0.001 0.000 0.315 24 N C 0.190 175.659 175.510 -0.069 0.000 1.520 24 N CA -0.478 52.513 53.050 -0.099 0.000 0.769 24 N CB 0.832 39.261 38.487 -0.097 0.000 1.766 24 N HN 0.402 nan 8.380 nan 0.000 0.618 25 A N -0.599 122.193 122.820 -0.047 0.000 2.216 25 A HA 0.157 4.477 4.320 -0.001 0.000 0.214 25 A C 1.604 179.173 177.584 -0.025 0.000 1.160 25 A CA 0.759 52.778 52.037 -0.030 0.000 0.725 25 A CB -0.890 18.094 19.000 -0.026 0.000 0.784 25 A HN 0.534 nan 8.150 nan 0.000 0.472 26 L N -1.726 119.479 121.223 -0.030 0.000 2.515 26 L HA 0.026 4.366 4.340 -0.001 0.000 0.223 26 L C 2.489 179.376 176.870 0.029 0.000 1.079 26 L CA 0.501 55.339 54.840 -0.003 0.000 0.857 26 L CB -0.254 41.789 42.059 -0.025 0.000 1.050 26 L HN 0.212 nan 8.230 nan 0.000 0.476 27 S N 0.930 116.616 115.700 -0.024 0.000 2.380 27 S HA -0.230 4.240 4.470 -0.001 0.000 0.229 27 S C 1.715 176.334 174.600 0.031 0.000 1.050 27 S CA 1.961 60.131 58.200 -0.050 0.000 1.100 27 S CB -0.443 62.635 63.200 -0.204 0.000 0.984 27 S HN 0.472 nan 8.310 nan 0.000 0.434 28 N N 1.477 120.222 118.700 0.075 0.000 2.205 28 N HA -0.098 4.642 4.740 -0.001 0.000 0.186 28 N C 1.926 177.456 175.510 0.034 0.000 1.015 28 N CA 1.424 54.538 53.050 0.107 0.000 0.862 28 N CB -0.642 37.895 38.487 0.084 0.000 0.986 28 N HN 0.633 nan 8.380 nan 0.000 0.429 29 S N -0.078 115.633 115.700 0.019 0.000 2.469 29 S HA -0.076 4.393 4.470 -0.001 0.000 0.238 29 S C 1.782 176.377 174.600 -0.007 0.000 0.998 29 S CA 0.560 58.745 58.200 -0.024 0.000 0.957 29 S CB -0.112 63.090 63.200 0.004 0.000 0.764 29 S HN 0.267 nan 8.310 nan 0.000 0.514 30 L N -0.426 120.817 121.223 0.034 0.000 2.433 30 L HA 0.613 4.952 4.340 -0.001 0.000 0.200 30 L C 0.077 176.994 176.870 0.079 0.000 1.059 30 L CA 0.609 55.482 54.840 0.054 0.000 0.835 30 L CB 0.324 42.213 42.059 -0.283 0.000 1.076 30 L HN 0.476 nan 8.230 nan 0.000 0.481 31 L N -0.874 120.385 121.223 0.060 0.000 2.455 31 L HA 0.426 4.766 4.340 -0.001 0.000 0.264 31 L C 0.366 177.311 176.870 0.126 0.000 0.968 31 L CA -0.454 54.430 54.840 0.074 0.000 0.827 31 L CB 1.771 43.894 42.059 0.107 0.000 1.317 31 L HN 0.030 nan 8.230 nan 0.000 0.407 32 R N 1.000 121.457 120.500 -0.072 0.000 2.167 32 R HA 0.164 4.503 4.340 -0.001 0.000 0.201 32 R C 0.063 176.157 176.300 -0.344 0.000 1.024 32 R CA 0.160 56.122 56.100 -0.229 0.000 1.053 32 R CB 0.142 30.285 30.300 -0.262 0.000 0.987 32 R HN 0.646 nan 8.270 nan 0.000 0.493 33 H N 1.073 120.087 119.070 -0.093 0.000 3.195 33 H HA 0.059 4.615 4.556 -0.001 0.000 0.241 33 H C 0.509 175.873 175.328 0.060 0.000 1.823 33 H CA -0.292 55.720 56.048 -0.060 0.000 1.466 33 H CB -0.192 29.574 29.762 0.005 0.000 1.819 33 H HN 0.372 nan 8.280 nan 0.000 0.575 34 H N 0.741 119.898 119.070 0.145 0.000 2.422 34 H HA -0.141 4.415 4.556 -0.001 0.000 0.298 34 H C 1.440 176.841 175.328 0.122 0.000 1.098 34 H CA 0.528 56.639 56.048 0.105 0.000 1.315 34 H CB 0.315 30.113 29.762 0.060 0.000 1.382 34 H HN 0.572 nan 8.280 nan 0.000 0.523 35 N N 0.566 119.396 118.700 0.218 0.000 2.573 35 N HA -0.075 4.665 4.740 -0.001 0.000 0.187 35 N C 1.318 176.932 175.510 0.173 0.000 1.107 35 N CA 0.761 53.910 53.050 0.163 0.000 0.918 35 N CB 0.061 38.605 38.487 0.095 0.000 0.966 35 N HN 0.509 nan 8.380 nan 0.000 0.448 36 M N 0.244 119.963 119.600 0.198 0.000 2.541 36 M HA 0.070 4.549 4.480 -0.001 0.000 0.252 36 M C 0.033 176.508 176.300 0.292 0.000 1.125 36 M CA 0.342 55.766 55.300 0.207 0.000 1.091 36 M CB 0.608 33.317 32.600 0.183 0.000 1.420 36 M HN -0.237 nan 8.290 nan 0.000 0.486 37 V N 1.083 121.178 119.914 0.303 0.000 2.427 37 V HA 0.347 4.466 4.120 -0.001 0.000 0.286 37 V C -0.765 175.587 176.094 0.429 0.000 1.034 37 V CA -0.704 61.789 62.300 0.322 0.000 0.893 37 V CB 0.830 32.818 31.823 0.275 0.000 0.982 37 V HN 0.314 nan 8.190 nan 0.000 0.452 38 Y N 2.282 122.725 120.300 0.237 0.000 2.625 38 Y HA 0.914 5.463 4.550 -0.001 0.000 0.338 38 Y C -0.537 175.430 175.900 0.112 0.000 1.123 38 Y CA -1.601 56.643 58.100 0.240 0.000 1.046 38 Y CB 1.569 40.134 38.460 0.175 0.000 1.299 38 Y HN 0.701 nan 8.280 nan 0.000 0.464 39 A N 1.508 124.361 122.820 0.055 0.000 2.343 39 A HA 0.656 4.975 4.320 -0.001 0.000 0.316 39 A C -0.177 177.430 177.584 0.039 0.000 1.104 39 A CA -0.419 51.446 52.037 -0.287 0.000 0.768 39 A CB 0.439 19.037 19.000 -0.670 0.000 1.213 39 A HN 1.119 nan 8.150 nan 0.000 0.456 40 T N 0.453 115.025 114.554 0.029 0.000 2.926 40 T HA 0.523 4.872 4.350 -0.001 0.000 0.307 40 T C 0.491 175.235 174.700 0.074 0.000 1.059 40 T CA 0.471 62.667 62.100 0.160 0.000 1.122 40 T CB 0.624 69.606 68.868 0.190 0.000 0.972 40 T HN 1.420 nan 8.240 nan 0.000 0.545 41 T N -1.064 113.544 114.554 0.091 0.000 2.831 41 T HA 0.468 4.818 4.350 -0.001 0.000 0.287 41 T C 1.281 176.010 174.700 0.047 0.000 1.070 41 T CA -0.588 61.548 62.100 0.061 0.000 1.010 41 T CB 1.168 70.078 68.868 0.071 0.000 1.264 41 T HN 0.384 nan 8.240 nan 0.000 0.532 42 S N -0.338 115.383 115.700 0.034 0.000 2.419 42 S HA -0.053 4.416 4.470 -0.001 0.000 0.233 42 S C 1.999 176.603 174.600 0.007 0.000 1.016 42 S CA 0.740 58.950 58.200 0.018 0.000 0.974 42 S CB -0.455 62.755 63.200 0.016 0.000 0.786 42 S HN 0.610 nan 8.310 nan 0.000 0.492 43 R N 1.379 121.890 120.500 0.018 0.000 2.211 43 R HA -0.081 4.259 4.340 -0.001 0.000 0.240 43 R C 2.029 178.328 176.300 -0.002 0.000 1.144 43 R CA 1.549 57.655 56.100 0.009 0.000 0.992 43 R CB -0.301 30.012 30.300 0.022 0.000 0.869 43 R HN 0.523 nan 8.270 nan 0.000 0.462 44 S N -1.219 114.485 115.700 0.007 0.000 2.540 44 S HA 0.238 4.707 4.470 -0.001 0.000 0.218 44 S C 1.753 176.336 174.600 -0.029 0.000 0.977 44 S CA 0.153 58.352 58.200 -0.003 0.000 0.918 44 S CB 0.937 64.153 63.200 0.027 0.000 0.806 44 S HN 0.267 nan 8.310 nan 0.000 0.496 45 A N 2.243 125.038 122.820 -0.041 0.000 1.948 45 A HA 0.071 4.390 4.320 -0.001 0.000 0.220 45 A C 2.275 179.765 177.584 -0.155 0.000 1.177 45 A CA 1.792 53.779 52.037 -0.083 0.000 0.636 45 A CB -1.725 17.226 19.000 -0.082 0.000 0.815 45 A HN 0.655 nan 8.150 nan 0.000 0.449 46 G N -0.257 108.453 108.800 -0.149 0.000 2.440 46 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.218 46 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.218 46 G C 1.554 176.352 174.900 -0.169 0.000 1.154 46 G CA 1.066 46.049 45.100 -0.194 0.000 0.767 46 G HN 0.458 nan 8.290 nan 0.000 0.552 47 L N -0.216 120.946 121.223 -0.102 0.000 2.046 47 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 47 L C 2.933 179.764 176.870 -0.065 0.000 1.077 47 L CA 1.415 56.214 54.840 -0.069 0.000 0.747 47 L CB -0.339 41.698 42.059 -0.038 0.000 0.896 47 L HN 0.171 nan 8.230 nan 0.000 0.432 48 R N 0.445 120.904 120.500 -0.069 0.000 2.081 48 R HA -0.174 4.166 4.340 -0.001 0.000 0.235 48 R C 2.233 178.481 176.300 -0.087 0.000 1.131 48 R CA 1.595 57.668 56.100 -0.046 0.000 0.960 48 R CB -0.423 29.858 30.300 -0.032 0.000 0.856 48 R HN 0.393 nan 8.270 nan 0.000 0.436 49 Q N 0.106 119.768 119.800 -0.230 0.000 2.077 49 Q HA -0.187 4.152 4.340 -0.001 0.000 0.206 49 Q C 2.003 177.907 176.000 -0.159 0.000 0.989 49 Q CA 2.000 57.568 55.803 -0.392 0.000 0.853 49 Q CB -0.173 28.021 28.738 -0.907 0.000 0.907 49 Q HN 0.341 nan 8.270 nan 0.000 0.418 50 K N 0.688 121.015 120.400 -0.122 0.000 2.148 50 K HA -0.111 4.208 4.320 -0.001 0.000 0.204 50 K C 1.956 178.614 176.600 0.095 0.000 1.050 50 K CA 0.918 57.203 56.287 -0.004 0.000 0.942 50 K CB 0.044 32.530 32.500 -0.024 0.000 0.724 50 K HN 0.146 nan 8.250 nan 0.000 0.446 51 K N 0.606 121.057 120.400 0.085 0.000 2.062 51 K HA -0.070 4.250 4.320 -0.001 0.000 0.205 51 K C 1.915 178.697 176.600 0.303 0.000 1.051 51 K CA 1.341 57.718 56.287 0.151 0.000 0.941 51 K CB 0.015 32.575 32.500 0.100 0.000 0.719 51 K HN 0.084 nan 8.250 nan 0.000 0.440 52 V N -0.969 119.104 119.914 0.266 0.000 3.623 52 V HA 0.070 4.189 4.120 -0.001 0.000 0.271 52 V C 0.212 176.495 176.094 0.314 0.000 1.248 52 V CA 0.186 62.693 62.300 0.345 0.000 1.156 52 V CB -0.211 31.751 31.823 0.232 0.000 0.870 52 V HN -0.038 nan 8.190 nan 0.000 0.453 53 T N 4.229 118.995 114.554 0.354 0.000 2.770 53 T HA 0.732 5.082 4.350 -0.001 0.000 0.297 53 T C -0.769 174.122 174.700 0.319 0.000 0.997 53 T CA -0.058 62.233 62.100 0.318 0.000 0.949 53 T CB 0.351 69.482 68.868 0.439 0.000 0.941 53 T HN 0.645 nan 8.240 nan 0.000 0.457 54 F N -0.009 120.077 119.950 0.226 0.000 2.773 54 F HA 0.642 5.169 4.527 -0.001 0.000 0.314 54 F C -1.237 174.723 175.800 0.266 0.000 1.160 54 F CA -1.723 56.391 58.000 0.190 0.000 0.920 54 F CB 0.752 39.839 39.000 0.144 0.000 1.323 54 F HN 0.267 nan 8.300 nan 0.000 0.457 55 D N 0.675 121.403 120.400 0.547 0.000 2.256 55 D HA 0.524 5.164 4.640 -0.001 0.000 0.250 55 D C -0.848 175.660 176.300 0.347 0.000 1.093 55 D CA -0.049 54.195 54.000 0.406 0.000 0.882 55 D CB 0.901 41.897 40.800 0.328 0.000 1.185 55 D HN 0.576 nan 8.370 nan 0.000 0.437 56 R N 2.387 123.011 120.500 0.207 0.000 2.532 56 R HA 0.687 5.027 4.340 -0.001 0.000 0.295 56 R C -1.055 175.259 176.300 0.024 0.000 0.968 56 R CA -0.743 55.446 56.100 0.149 0.000 0.916 56 R CB 1.108 31.453 30.300 0.076 0.000 1.124 56 R HN 0.373 nan 8.270 nan 0.000 0.463 57 L N 1.378 122.600 121.223 -0.002 0.000 2.386 57 L HA 0.463 4.803 4.340 -0.001 0.000 0.271 57 L C -1.009 175.810 176.870 -0.085 0.000 0.993 57 L CA -0.143 54.651 54.840 -0.076 0.000 0.819 57 L CB 2.055 44.095 42.059 -0.032 0.000 1.294 57 L HN 0.529 nan 8.230 nan 0.000 0.414 58 Q N 2.763 122.484 119.800 -0.132 0.000 2.285 58 Q HA 0.639 4.979 4.340 -0.001 0.000 0.269 58 Q C -1.638 174.294 176.000 -0.113 0.000 1.030 58 Q CA -0.682 55.051 55.803 -0.116 0.000 0.788 58 Q CB 3.130 31.780 28.738 -0.147 0.000 1.266 58 Q HN 0.355 nan 8.270 nan 0.000 0.438 59 V N 4.648 124.514 119.914 -0.081 0.000 2.325 59 V HA 0.374 4.493 4.120 -0.001 0.000 0.280 59 V C -0.530 175.542 176.094 -0.037 0.000 1.016 59 V CA -0.499 61.761 62.300 -0.066 0.000 0.818 59 V CB 1.125 32.913 31.823 -0.059 0.000 1.019 59 V HN 0.616 nan 8.190 nan 0.000 0.434 60 L N 5.446 126.603 121.223 -0.110 0.000 2.264 60 L HA 0.594 4.934 4.340 -0.001 0.000 0.289 60 L C 0.029 176.898 176.870 -0.003 0.000 1.044 60 L CA -0.534 54.199 54.840 -0.179 0.000 0.807 60 L CB 1.341 43.132 42.059 -0.446 0.000 1.192 60 L HN 0.659 nan 8.230 nan 0.000 0.425 61 D N 0.365 120.840 120.400 0.124 0.000 2.595 61 D HA 0.141 4.781 4.640 -0.001 0.000 0.268 61 D C 0.358 176.728 176.300 0.116 0.000 1.181 61 D CA -0.651 53.414 54.000 0.108 0.000 1.085 61 D CB 0.705 41.576 40.800 0.118 0.000 1.186 61 D HN 0.276 nan 8.370 nan 0.000 0.621 62 D N -1.401 119.014 120.400 0.025 0.000 2.144 62 D HA -0.144 4.496 4.640 -0.001 0.000 0.200 62 D C 1.730 178.041 176.300 0.019 0.000 0.978 62 D CA 1.050 55.040 54.000 -0.016 0.000 0.833 62 D CB -0.090 40.647 40.800 -0.105 0.000 0.961 62 D HN 0.390 nan 8.370 nan 0.000 0.470 63 H N -0.255 118.877 119.070 0.103 0.000 2.353 63 H HA -0.152 4.403 4.556 -0.001 0.000 0.300 63 H C 2.006 177.372 175.328 0.064 0.000 1.090 63 H CA 0.941 57.042 56.048 0.089 0.000 1.327 63 H CB -0.640 29.199 29.762 0.128 0.000 1.383 63 H HN 0.301 nan 8.280 nan 0.000 0.508 64 Y N 1.986 122.326 120.300 0.066 0.000 2.053 64 Y HA -0.262 4.288 4.550 -0.000 0.000 0.277 64 Y C 2.700 178.547 175.900 -0.087 0.000 1.159 64 Y CA 1.811 59.821 58.100 -0.150 0.000 1.125 64 Y CB -0.201 38.090 38.460 -0.282 0.000 0.969 64 Y HN -0.045 nan 8.280 nan 0.000 0.492 65 R N 0.113 120.653 120.500 0.066 0.000 2.120 65 R HA -0.158 4.181 4.340 -0.001 0.000 0.234 65 R C 1.731 177.993 176.300 -0.064 0.000 1.123 65 R CA 1.387 57.469 56.100 -0.030 0.000 0.975 65 R CB -0.310 30.026 30.300 0.059 0.000 0.866 65 R HN 0.483 nan 8.270 nan 0.000 0.446 66 D N -0.023 120.367 120.400 -0.018 0.000 2.117 66 D HA -0.100 4.539 4.640 -0.001 0.000 0.198 66 D C 1.970 178.247 176.300 -0.038 0.000 0.982 66 D CA 1.003 54.999 54.000 -0.007 0.000 0.828 66 D CB -0.122 40.706 40.800 0.047 0.000 0.967 66 D HN 0.008 nan 8.370 nan 0.000 0.464 67 V N 1.377 121.248 119.914 -0.072 0.000 2.358 67 V HA -0.195 3.924 4.120 -0.001 0.000 0.246 67 V C 2.470 178.486 176.094 -0.131 0.000 1.047 67 V CA 0.933 63.173 62.300 -0.099 0.000 1.035 67 V CB -0.431 31.302 31.823 -0.149 0.000 0.658 67 V HN 0.120 nan 8.190 nan 0.000 0.452 68 L N 0.649 121.728 121.223 -0.240 0.000 2.046 68 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 68 L C 2.397 179.193 176.870 -0.123 0.000 1.077 68 L CA 2.264 56.963 54.840 -0.235 0.000 0.747 68 L CB -0.812 41.037 42.059 -0.350 0.000 0.896 68 L HN 0.264 nan 8.230 nan 0.000 0.432 69 K N -0.498 119.846 120.400 -0.093 0.000 2.103 69 K HA -0.210 4.110 4.320 -0.001 0.000 0.207 69 K C 1.957 178.535 176.600 -0.036 0.000 1.048 69 K CA 1.874 58.129 56.287 -0.053 0.000 0.930 69 K CB -0.096 32.383 32.500 -0.035 0.000 0.716 69 K HN 0.521 nan 8.250 nan 0.000 0.444 70 E N -0.024 120.159 120.200 -0.029 0.000 2.106 70 E HA -0.169 4.181 4.350 -0.001 0.000 0.192 70 E C 2.040 178.637 176.600 -0.004 0.000 0.984 70 E CA 1.477 57.873 56.400 -0.006 0.000 0.806 70 E CB -0.040 29.667 29.700 0.012 0.000 0.750 70 E HN 0.355 nan 8.360 nan 0.000 0.458 71 M N 0.527 120.121 119.600 -0.009 0.000 2.132 71 M HA -0.153 4.327 4.480 -0.001 0.000 0.263 71 M C 2.083 178.359 176.300 -0.040 0.000 1.065 71 M CA 1.404 56.696 55.300 -0.013 0.000 1.122 71 M CB -0.132 32.463 32.600 -0.009 0.000 1.365 71 M HN -0.072 nan 8.290 nan 0.000 0.411 72 K N 0.354 120.727 120.400 -0.046 0.000 2.148 72 K HA -0.057 4.263 4.320 -0.001 0.000 0.204 72 K C 2.088 178.671 176.600 -0.028 0.000 1.050 72 K CA 1.264 57.526 56.287 -0.042 0.000 0.942 72 K CB -0.203 32.271 32.500 -0.044 0.000 0.724 72 K HN 0.297 nan 8.250 nan 0.000 0.446 73 A N 1.750 124.557 122.820 -0.023 0.000 1.930 73 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 73 A C 1.844 179.418 177.584 -0.017 0.000 1.175 73 A CA 1.384 53.412 52.037 -0.016 0.000 0.627 73 A CB -0.163 18.831 19.000 -0.010 0.000 0.815 73 A HN 0.163 nan 8.150 nan 0.000 0.443 74 K N -0.408 119.979 120.400 -0.022 0.000 2.103 74 K HA 0.070 4.390 4.320 -0.001 0.000 0.204 74 K C 2.282 178.860 176.600 -0.036 0.000 1.052 74 K CA 0.874 57.143 56.287 -0.030 0.000 0.945 74 K CB -0.267 32.209 32.500 -0.040 0.000 0.722 74 K HN 0.405 nan 8.250 nan 0.000 0.443 75 A N 1.188 123.985 122.820 -0.038 0.000 1.978 75 A HA -0.154 4.165 4.320 -0.001 0.000 0.220 75 A C 2.086 179.661 177.584 -0.016 0.000 1.170 75 A CA 1.763 53.781 52.037 -0.032 0.000 0.636 75 A CB -0.479 18.503 19.000 -0.030 0.000 0.810 75 A HN 0.163 nan 8.150 nan 0.000 0.448 76 S N -0.397 115.295 115.700 -0.013 0.000 2.474 76 S HA -0.103 4.367 4.470 -0.001 0.000 0.235 76 S C 1.951 176.548 174.600 -0.006 0.000 0.997 76 S CA 1.574 59.771 58.200 -0.006 0.000 0.949 76 S CB -0.490 62.706 63.200 -0.006 0.000 0.766 76 S HN 0.913 nan 8.310 nan 0.000 0.517 77 T N -0.823 113.724 114.554 -0.012 0.000 3.113 77 T HA 0.172 4.522 4.350 -0.001 0.000 0.256 77 T C 0.551 175.243 174.700 -0.013 0.000 1.131 77 T CA -0.046 62.047 62.100 -0.012 0.000 1.074 77 T CB -0.280 68.579 68.868 -0.015 0.000 0.944 77 T HN 0.025 nan 8.240 nan 0.000 0.516 78 V N 1.953 121.858 119.914 -0.015 0.000 2.583 78 V HA 0.378 4.497 4.120 -0.001 0.000 0.287 78 V C 0.135 176.226 176.094 -0.005 0.000 1.051 78 V CA -0.636 61.654 62.300 -0.016 0.000 1.010 78 V CB 1.237 33.045 31.823 -0.024 0.000 0.988 78 V HN 0.376 nan 8.190 nan 0.000 0.478 79 K N 3.496 123.893 120.400 -0.005 0.000 2.413 79 K HA 0.755 5.075 4.320 -0.001 0.000 0.257 79 K C -0.745 175.857 176.600 0.004 0.000 0.946 79 K CA -0.441 55.848 56.287 0.004 0.000 0.823 79 K CB 1.634 34.137 32.500 0.005 0.000 1.109 79 K HN 0.817 nan 8.250 nan 0.000 0.427 80 A N 3.821 126.647 122.820 0.011 0.000 2.355 80 A HA 0.549 4.868 4.320 -0.001 0.000 0.324 80 A C -1.217 176.383 177.584 0.027 0.000 1.117 80 A CA -0.886 51.158 52.037 0.012 0.000 0.785 80 A CB 0.949 19.953 19.000 0.006 0.000 1.254 80 A HN 0.819 nan 8.150 nan 0.000 0.453 81 K N 1.858 122.277 120.400 0.032 0.000 2.208 81 K HA 0.748 5.068 4.320 -0.001 0.000 0.247 81 K C -1.158 175.471 176.600 0.047 0.000 0.953 81 K CA -0.644 55.666 56.287 0.037 0.000 0.837 81 K CB 1.395 33.913 32.500 0.030 0.000 1.131 81 K HN 0.520 nan 8.250 nan 0.000 0.431 82 L N 2.529 123.778 121.223 0.043 0.000 2.426 82 L HA 0.158 4.498 4.340 -0.001 0.000 0.271 82 L C -0.270 176.595 176.870 -0.008 0.000 1.169 82 L CA -0.851 54.009 54.840 0.033 0.000 0.836 82 L CB 0.597 42.674 42.059 0.030 0.000 1.112 82 L HN 0.554 nan 8.230 nan 0.000 0.465 83 L N 2.244 123.447 121.223 -0.034 0.000 2.357 83 L HA 0.303 4.643 4.340 -0.001 0.000 0.273 83 L C 0.416 177.196 176.870 -0.151 0.000 1.080 83 L CA 0.306 55.109 54.840 -0.062 0.000 0.803 83 L CB 1.739 43.770 42.059 -0.046 0.000 1.174 83 L HN 0.724 nan 8.230 nan 0.000 0.443 84 S N 1.754 117.373 115.700 -0.135 0.000 2.624 84 S HA 0.253 4.723 4.470 -0.001 0.000 0.263 84 S C 1.235 175.710 174.600 -0.208 0.000 1.287 84 S CA -0.586 57.515 58.200 -0.166 0.000 0.990 84 S CB 0.957 64.091 63.200 -0.110 0.000 0.950 84 S HN 0.361 nan 8.310 nan 0.000 0.561 85 V N 1.321 121.092 119.914 -0.239 0.000 2.332 85 V HA -0.182 3.938 4.120 -0.001 0.000 0.248 85 V C 2.803 178.781 176.094 -0.194 0.000 1.055 85 V CA 2.423 64.560 62.300 -0.273 0.000 1.038 85 V CB -1.349 30.256 31.823 -0.364 0.000 0.651 85 V HN 1.065 nan 8.190 nan 0.000 0.450 86 E N 0.392 120.503 120.200 -0.148 0.000 2.051 86 E HA -0.277 4.073 4.350 -0.001 0.000 0.192 86 E C 2.103 178.633 176.600 -0.118 0.000 0.991 86 E CA 1.833 58.164 56.400 -0.116 0.000 0.799 86 E CB -0.191 29.458 29.700 -0.085 0.000 0.748 86 E HN 0.731 nan 8.360 nan 0.000 0.449 87 E N 0.388 120.515 120.200 -0.121 0.000 2.058 87 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 87 E C 2.154 178.646 176.600 -0.180 0.000 0.997 87 E CA 1.108 57.430 56.400 -0.130 0.000 0.801 87 E CB -0.238 29.395 29.700 -0.111 0.000 0.746 87 E HN 0.432 nan 8.360 nan 0.000 0.450 88 A N 0.869 123.576 122.820 -0.188 0.000 1.902 88 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 88 A C 2.449 179.927 177.584 -0.177 0.000 1.181 88 A CA 1.262 53.175 52.037 -0.205 0.000 0.623 88 A CB -0.922 17.976 19.000 -0.169 0.000 0.818 88 A HN 0.371 nan 8.150 nan 0.000 0.443 89 C N -0.464 118.748 119.300 -0.146 0.000 2.413 89 C HA -0.112 4.348 4.460 -0.001 0.000 0.276 89 C C 2.627 177.549 174.990 -0.113 0.000 1.236 89 C CA 1.439 60.388 59.018 -0.115 0.000 1.735 89 C CB -1.104 26.572 27.740 -0.106 0.000 2.031 89 C HN 0.631 nan 8.230 nan 0.000 0.474 90 K N 0.534 120.865 120.400 -0.114 0.000 2.360 90 K HA -0.055 4.264 4.320 -0.001 0.000 0.201 90 K C 1.411 177.952 176.600 -0.098 0.000 1.046 90 K CA 0.913 57.148 56.287 -0.087 0.000 0.945 90 K CB -0.190 32.265 32.500 -0.075 0.000 0.750 90 K HN 0.535 nan 8.250 nan 0.000 0.464 91 L N 0.743 121.853 121.223 -0.188 0.000 2.591 91 L HA 0.014 4.353 4.340 -0.001 0.000 0.228 91 L C 0.241 176.988 176.870 -0.205 0.000 1.133 91 L CA 0.121 54.789 54.840 -0.285 0.000 0.880 91 L CB -0.006 41.763 42.059 -0.483 0.000 1.033 91 L HN 0.007 nan 8.230 nan 0.000 0.450 92 T N 1.707 116.175 114.554 -0.144 0.000 2.794 92 T HA 0.189 4.539 4.350 -0.001 0.000 0.296 92 T C -2.315 172.262 174.700 -0.205 0.000 0.949 92 T CA -1.117 60.899 62.100 -0.140 0.000 1.101 92 T CB 0.919 69.723 68.868 -0.106 0.000 0.905 92 T HN -0.142 nan 8.240 nan 0.000 0.516 93 P HA 0.100 nan 4.420 nan 0.000 0.264 93 P C -1.841 175.165 177.300 -0.491 0.000 1.193 93 P CA -1.188 61.655 63.100 -0.429 0.000 0.763 93 P CB 0.221 31.788 31.700 -0.222 0.000 0.810 94 P HA -0.187 nan 4.420 nan 0.000 0.217 94 P C 0.344 177.375 177.300 -0.449 0.000 1.151 94 P CA 1.718 64.447 63.100 -0.617 0.000 0.849 94 P CB -0.191 31.028 31.700 -0.801 0.000 0.787 95 H N -2.304 116.625 119.070 -0.234 0.000 2.488 95 H HA 0.280 4.835 4.556 -0.001 0.000 0.294 95 H C 0.558 175.799 175.328 -0.144 0.000 1.088 95 H CA -0.575 55.379 56.048 -0.155 0.000 1.086 95 H CB 0.104 29.791 29.762 -0.126 0.000 1.569 95 H HN 0.017 nan 8.280 nan 0.000 0.548 96 S N 1.255 116.913 115.700 -0.070 0.000 2.573 96 S HA 0.293 4.763 4.470 -0.001 0.000 0.277 96 S C 0.772 175.327 174.600 -0.075 0.000 1.346 96 S CA -0.599 57.544 58.200 -0.094 0.000 1.034 96 S CB 0.343 63.478 63.200 -0.108 0.000 0.879 96 S HN 0.488 nan 8.310 nan 0.000 0.528 97 A N 4.756 127.511 122.820 -0.109 0.000 2.553 97 A HA 0.190 4.510 4.320 -0.001 0.000 0.258 97 A C 0.678 178.241 177.584 -0.036 0.000 1.069 97 A CA -0.009 51.988 52.037 -0.066 0.000 0.767 97 A CB -0.449 18.504 19.000 -0.077 0.000 0.997 97 A HN 0.872 nan 8.150 nan 0.000 0.512 98 K N 2.662 123.032 120.400 -0.050 0.000 2.440 98 K HA 0.218 4.538 4.320 -0.001 0.000 0.270 98 K C 0.362 176.864 176.600 -0.162 0.000 0.980 98 K CA 0.234 56.459 56.287 -0.103 0.000 0.953 98 K CB 0.394 32.834 32.500 -0.099 0.000 0.925 98 K HN 0.466 nan 8.250 nan 0.000 0.497 99 S N 0.805 116.301 115.700 -0.340 0.000 2.593 99 S HA 0.075 4.544 4.470 -0.001 0.000 0.269 99 S C 0.289 174.627 174.600 -0.438 0.000 1.334 99 S CA -0.527 57.410 58.200 -0.438 0.000 1.015 99 S CB 0.582 63.203 63.200 -0.966 0.000 0.912 99 S HN 0.664 nan 8.310 nan 0.000 0.541 100 K N 1.898 121.980 120.400 -0.530 0.000 2.458 100 K HA 0.176 4.496 4.320 -0.001 0.000 0.194 100 K C -0.602 175.456 176.600 -0.903 0.000 1.024 100 K CA 0.352 56.235 56.287 -0.674 0.000 1.108 100 K CB 0.050 32.097 32.500 -0.755 0.000 0.846 100 K HN 0.493 nan 8.250 nan 0.000 0.518 101 F N 0.423 120.192 119.950 -0.302 0.000 2.928 101 F HA 0.303 4.830 4.527 -0.001 0.000 0.337 101 F C 0.970 176.698 175.800 -0.120 0.000 1.259 101 F CA -1.036 56.815 58.000 -0.249 0.000 1.267 101 F CB 0.792 39.506 39.000 -0.478 0.000 0.986 101 F HN 0.094 nan 8.300 nan 0.000 0.507 102 G N 0.839 109.619 108.800 -0.032 0.000 2.160 102 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.244 102 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.244 102 G C -0.408 174.592 174.900 0.167 0.000 1.022 102 G CA 0.338 45.476 45.100 0.064 0.000 0.741 102 G HN 0.677 nan 8.290 nan 0.000 0.508 103 Y N -3.249 117.043 120.300 -0.013 0.000 2.662 103 Y HA 0.686 5.236 4.550 -0.001 0.000 0.334 103 Y C 0.212 176.110 175.900 -0.002 0.000 1.185 103 Y CA -0.946 57.152 58.100 -0.003 0.000 1.074 103 Y CB 0.450 38.917 38.460 0.011 0.000 1.330 103 Y HN 0.788 nan 8.280 nan 0.000 0.458 104 G N 0.068 108.917 108.800 0.082 0.000 3.042 104 G HA2 0.563 4.523 3.960 -0.001 0.000 0.278 104 G HA3 0.563 4.523 3.960 -0.001 0.000 0.278 104 G C 0.289 175.235 174.900 0.076 0.000 1.371 104 G CA -0.772 44.329 45.100 0.003 0.000 1.009 104 G HN 1.283 nan 8.290 nan 0.000 0.523 105 A N -0.332 122.495 122.820 0.010 0.000 1.948 105 A HA -0.100 4.219 4.320 -0.001 0.000 0.220 105 A C 2.154 179.721 177.584 -0.030 0.000 1.177 105 A CA 2.483 54.510 52.037 -0.017 0.000 0.636 105 A CB -0.492 18.461 19.000 -0.078 0.000 0.815 105 A HN 0.585 nan 8.150 nan 0.000 0.449 106 K N -0.126 120.257 120.400 -0.029 0.000 2.097 106 K HA -0.161 4.158 4.320 -0.001 0.000 0.206 106 K C 1.460 178.055 176.600 -0.007 0.000 1.049 106 K CA 1.788 58.051 56.287 -0.039 0.000 0.933 106 K CB -0.151 32.334 32.500 -0.025 0.000 0.717 106 K HN 0.529 nan 8.250 nan 0.000 0.442 107 D N -0.338 120.088 120.400 0.043 0.000 2.144 107 D HA -0.125 4.514 4.640 -0.001 0.000 0.200 107 D C 1.895 178.211 176.300 0.027 0.000 0.978 107 D CA 1.104 55.138 54.000 0.056 0.000 0.833 107 D CB 0.036 40.921 40.800 0.142 0.000 0.961 107 D HN 0.048 nan 8.370 nan 0.000 0.470 108 V N 1.615 121.565 119.914 0.060 0.000 2.261 108 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 108 V C 2.516 178.588 176.094 -0.037 0.000 1.047 108 V CA 1.539 63.849 62.300 0.016 0.000 1.015 108 V CB -0.407 31.449 31.823 0.056 0.000 0.642 108 V HN 0.108 nan 8.190 nan 0.000 0.446 109 R N 0.489 120.960 120.500 -0.049 0.000 2.105 109 R HA -0.133 4.207 4.340 -0.001 0.000 0.239 109 R C 1.735 178.002 176.300 -0.056 0.000 1.135 109 R CA 1.493 57.553 56.100 -0.068 0.000 0.967 109 R CB -0.399 29.843 30.300 -0.097 0.000 0.861 109 R HN 0.512 nan 8.270 nan 0.000 0.442 110 N N 0.873 119.546 118.700 -0.045 0.000 2.398 110 N HA 0.064 4.803 4.740 -0.001 0.000 0.188 110 N C 0.117 175.601 175.510 -0.042 0.000 1.122 110 N CA 0.265 53.291 53.050 -0.039 0.000 0.866 110 N CB 0.284 38.753 38.487 -0.029 0.000 0.970 110 N HN 0.157 nan 8.380 nan 0.000 0.462 111 L N 0.734 121.925 121.223 -0.054 0.000 3.634 111 L HA -0.225 4.115 4.340 -0.001 0.000 0.423 111 L C 0.323 177.156 176.870 -0.062 0.000 1.253 111 L CA -0.019 54.781 54.840 -0.066 0.000 0.885 111 L CB -2.608 39.414 42.059 -0.061 0.000 1.789 111 L HN 0.146 nan 8.230 nan 0.000 0.904 112 S N -0.627 115.038 115.700 -0.059 0.000 2.558 112 S HA 0.218 4.688 4.470 -0.001 0.000 0.288 112 S C 1.550 176.106 174.600 -0.074 0.000 1.318 112 S CA 0.017 58.186 58.200 -0.052 0.000 1.056 112 S CB 1.709 64.887 63.200 -0.036 0.000 0.853 112 S HN 0.546 nan 8.310 nan 0.000 0.505 113 S N 3.218 118.889 115.700 -0.049 0.000 2.383 113 S HA -0.233 4.236 4.470 -0.001 0.000 0.229 113 S C 1.726 176.287 174.600 -0.065 0.000 1.030 113 S CA 1.320 59.494 58.200 -0.043 0.000 1.002 113 S CB -0.642 62.546 63.200 -0.020 0.000 0.829 113 S HN 0.878 nan 8.310 nan 0.000 0.467 114 K N 1.583 121.940 120.400 -0.073 0.000 2.026 114 K HA 0.015 4.335 4.320 -0.001 0.000 0.208 114 K C 2.363 178.799 176.600 -0.273 0.000 1.048 114 K CA 1.152 57.384 56.287 -0.093 0.000 0.929 114 K CB -0.637 31.845 32.500 -0.030 0.000 0.713 114 K HN 0.454 nan 8.250 nan 0.000 0.439 115 A N 0.516 123.089 122.820 -0.412 0.000 1.873 115 A HA -0.092 4.228 4.320 -0.001 0.000 0.215 115 A C 2.228 179.540 177.584 -0.452 0.000 1.186 115 A CA 1.562 53.112 52.037 -0.811 0.000 0.616 115 A CB -0.629 18.078 19.000 -0.488 0.000 0.823 115 A HN 0.167 nan 8.150 nan 0.000 0.442 116 V N 1.193 120.956 119.914 -0.252 0.000 2.343 116 V HA -0.266 3.854 4.120 -0.001 0.000 0.247 116 V C 2.276 178.294 176.094 -0.126 0.000 1.051 116 V CA 2.105 64.282 62.300 -0.205 0.000 1.036 116 V CB -1.008 30.740 31.823 -0.125 0.000 0.654 116 V HN 0.549 nan 8.190 nan 0.000 0.451 117 N N -0.561 118.113 118.700 -0.044 0.000 2.120 117 N HA -0.191 4.549 4.740 -0.001 0.000 0.188 117 N C 1.886 177.414 175.510 0.029 0.000 1.024 117 N CA 1.610 54.685 53.050 0.040 0.000 0.852 117 N CB -0.552 37.950 38.487 0.026 0.000 1.003 117 N HN 0.649 nan 8.380 nan 0.000 0.424 118 H N 0.869 119.863 119.070 -0.127 0.000 2.363 118 H HA 0.082 4.638 4.556 -0.001 0.000 0.301 118 H C 2.103 177.411 175.328 -0.033 0.000 1.074 118 H CA 0.804 56.805 56.048 -0.078 0.000 1.354 118 H CB 0.078 29.814 29.762 -0.044 0.000 1.397 118 H HN 0.117 nan 8.280 nan 0.000 0.516 119 I N 0.172 120.668 120.570 -0.123 0.000 2.208 119 I HA -0.312 3.857 4.170 -0.001 0.000 0.245 119 I C 2.325 178.390 176.117 -0.086 0.000 1.097 119 I CA 1.495 62.722 61.300 -0.123 0.000 1.363 119 I CB -0.458 37.442 38.000 -0.168 0.000 1.051 119 I HN 0.356 nan 8.210 nan 0.000 0.413 120 H N -0.104 118.931 119.070 -0.057 0.000 2.387 120 H HA -0.148 4.408 4.556 -0.001 0.000 0.299 120 H C 2.537 177.876 175.328 0.019 0.000 1.090 120 H CA 1.588 57.633 56.048 -0.004 0.000 1.332 120 H CB 0.131 29.875 29.762 -0.031 0.000 1.386 120 H HN 0.377 nan 8.280 nan 0.000 0.516 121 S N -0.129 115.601 115.700 0.050 0.000 2.383 121 S HA -0.111 4.359 4.470 -0.001 0.000 0.227 121 S C 2.238 176.785 174.600 -0.088 0.000 1.026 121 S CA 1.089 59.268 58.200 -0.035 0.000 0.981 121 S CB -0.627 62.516 63.200 -0.096 0.000 0.818 121 S HN 0.140 nan 8.310 nan 0.000 0.472 122 V N 0.875 120.683 119.914 -0.177 0.000 2.358 122 V HA -0.112 4.008 4.120 -0.001 0.000 0.246 122 V C 2.239 178.337 176.094 0.007 0.000 1.047 122 V CA 1.738 63.950 62.300 -0.146 0.000 1.035 122 V CB -1.060 30.660 31.823 -0.172 0.000 0.658 122 V HN 0.716 nan 8.190 nan 0.000 0.452 123 W N 1.471 122.719 121.300 -0.086 0.000 2.358 123 W HA -0.229 4.430 4.660 -0.000 0.000 0.303 123 W C 2.488 178.990 176.519 -0.028 0.000 1.208 123 W CA 2.289 59.612 57.345 -0.037 0.000 1.274 123 W CB -0.092 29.370 29.460 0.003 0.000 1.138 123 W HN 0.253 nan 8.180 nan 0.000 0.515 124 K N 0.631 121.090 120.400 0.099 0.000 2.057 124 K HA -0.268 4.052 4.320 -0.001 0.000 0.207 124 K C 1.768 178.306 176.600 -0.105 0.000 1.049 124 K CA 2.261 58.543 56.287 -0.008 0.000 0.931 124 K CB -0.641 31.882 32.500 0.039 0.000 0.714 124 K HN -0.003 nan 8.250 nan 0.000 0.440 125 D N 0.284 120.628 120.400 -0.094 0.000 2.144 125 D HA -0.157 4.483 4.640 -0.001 0.000 0.199 125 D C 1.956 178.165 176.300 -0.152 0.000 0.984 125 D CA 1.039 54.976 54.000 -0.106 0.000 0.834 125 D CB 0.046 40.789 40.800 -0.094 0.000 0.955 125 D HN 0.230 nan 8.370 nan 0.000 0.465 126 L N -0.141 120.951 121.223 -0.219 0.000 2.046 126 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 126 L C 2.464 179.151 176.870 -0.306 0.000 1.077 126 L CA 0.709 55.379 54.840 -0.283 0.000 0.747 126 L CB -0.364 41.453 42.059 -0.404 0.000 0.896 126 L HN 0.227 nan 8.230 nan 0.000 0.432 127 L N -0.877 120.129 121.223 -0.363 0.000 2.156 127 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 127 L C 2.450 179.225 176.870 -0.159 0.000 1.095 127 L CA 0.952 55.625 54.840 -0.279 0.000 0.770 127 L CB -0.402 41.495 42.059 -0.271 0.000 0.914 127 L HN 0.292 nan 8.230 nan 0.000 0.439 128 E N -0.898 119.223 120.200 -0.132 0.000 2.318 128 E HA -0.019 4.331 4.350 -0.001 0.000 0.193 128 E C 0.106 176.659 176.600 -0.078 0.000 0.998 128 E CA 0.340 56.688 56.400 -0.087 0.000 0.859 128 E CB 0.271 29.930 29.700 -0.068 0.000 0.812 128 E HN 0.243 nan 8.360 nan 0.000 0.492 129 D N 0.862 121.206 120.400 -0.092 0.000 2.471 129 D HA 0.075 4.714 4.640 -0.001 0.000 0.245 129 D C -0.038 176.211 176.300 -0.085 0.000 1.116 129 D CA -0.272 53.684 54.000 -0.075 0.000 0.853 129 D CB 1.270 42.031 40.800 -0.065 0.000 1.123 129 D HN -0.104 nan 8.370 nan 0.000 0.540 130 T N 0.307 114.820 114.554 -0.069 0.000 3.215 130 T HA 0.247 4.597 4.350 -0.001 0.000 0.271 130 T C 0.965 175.637 174.700 -0.046 0.000 1.012 130 T CA -0.158 61.903 62.100 -0.066 0.000 0.899 130 T CB 0.232 69.066 68.868 -0.058 0.000 1.089 130 T HN 0.131 nan 8.240 nan 0.000 0.552 131 V N -0.085 119.806 119.914 -0.039 0.000 3.159 131 V HA 0.189 4.308 4.120 -0.001 0.000 0.234 131 V C 0.982 177.068 176.094 -0.014 0.000 1.313 131 V CA 0.190 62.476 62.300 -0.023 0.000 1.271 131 V CB 0.075 31.887 31.823 -0.019 0.000 1.053 131 V HN 0.439 nan 8.190 nan 0.000 0.476 132 T N 4.270 118.813 114.554 -0.018 0.000 2.761 132 T HA 0.181 4.531 4.350 -0.001 0.000 0.287 132 T C -2.429 172.270 174.700 -0.003 0.000 0.931 132 T CA -0.449 61.648 62.100 -0.005 0.000 1.164 132 T CB 0.572 69.435 68.868 -0.009 0.000 0.876 132 T HN 0.176 nan 8.240 nan 0.000 0.534 133 P HA 0.116 nan 4.420 nan 0.000 0.264 133 P C -0.071 177.228 177.300 -0.002 0.000 1.183 133 P CA -0.035 63.078 63.100 0.021 0.000 0.763 133 P CB 0.353 32.111 31.700 0.097 0.000 0.807 134 I N 2.343 122.894 120.570 -0.033 0.000 2.472 134 I HA 0.129 4.299 4.170 -0.001 0.000 0.290 134 I C 0.961 177.060 176.117 -0.030 0.000 1.016 134 I CA -0.366 60.919 61.300 -0.024 0.000 1.348 134 I CB 0.728 38.704 38.000 -0.040 0.000 1.417 134 I HN 0.327 nan 8.210 nan 0.000 0.521 135 D N 4.114 124.513 120.400 -0.002 0.000 2.372 135 D HA 0.235 4.874 4.640 -0.001 0.000 0.243 135 D C -0.399 175.866 176.300 -0.057 0.000 1.121 135 D CA 0.205 54.192 54.000 -0.023 0.000 0.898 135 D CB 0.851 41.657 40.800 0.009 0.000 1.202 135 D HN 0.631 nan 8.370 nan 0.000 0.428 136 T N -0.796 113.695 114.554 -0.105 0.000 2.896 136 T HA 0.607 4.957 4.350 -0.001 0.000 0.297 136 T C -0.500 174.052 174.700 -0.247 0.000 1.108 136 T CA -0.966 61.033 62.100 -0.169 0.000 1.004 136 T CB 1.562 70.355 68.868 -0.126 0.000 1.159 136 T HN 0.211 nan 8.240 nan 0.000 0.499 137 T N 2.215 116.477 114.554 -0.487 0.000 2.794 137 T HA 0.592 4.942 4.350 -0.001 0.000 0.280 137 T C -0.476 173.993 174.700 -0.386 0.000 0.987 137 T CA -0.595 61.197 62.100 -0.513 0.000 0.993 137 T CB 0.753 69.117 68.868 -0.841 0.000 0.939 137 T HN 0.734 nan 8.240 nan 0.000 0.449 138 I N 4.474 124.967 120.570 -0.129 0.000 2.354 138 I HA 0.531 4.701 4.170 -0.001 0.000 0.292 138 I C -0.997 175.155 176.117 0.057 0.000 0.989 138 I CA -0.773 60.536 61.300 0.015 0.000 1.188 138 I CB 0.605 38.663 38.000 0.097 0.000 1.342 138 I HN 0.412 nan 8.210 nan 0.000 0.457 139 M N 6.490 126.165 119.600 0.125 0.000 2.572 139 M HA 0.495 4.975 4.480 -0.001 0.000 0.299 139 M C -0.584 175.780 176.300 0.106 0.000 1.205 139 M CA -0.621 54.756 55.300 0.128 0.000 0.876 139 M CB 1.841 34.565 32.600 0.206 0.000 1.728 139 M HN 0.596 nan 8.290 nan 0.000 0.458 140 A N 2.659 125.522 122.820 0.071 0.000 2.276 140 A HA 0.466 4.785 4.320 -0.001 0.000 0.300 140 A C 0.051 177.668 177.584 0.055 0.000 1.235 140 A CA -0.504 51.566 52.037 0.055 0.000 0.867 140 A CB 0.256 19.275 19.000 0.033 0.000 1.137 140 A HN 0.713 nan 8.150 nan 0.000 0.527 141 K N 2.174 122.609 120.400 0.059 0.000 2.326 141 K HA 0.073 4.393 4.320 -0.001 0.000 0.275 141 K C -0.561 176.039 176.600 -0.001 0.000 1.018 141 K CA 0.083 56.390 56.287 0.033 0.000 0.962 141 K CB 0.613 33.139 32.500 0.042 0.000 0.953 141 K HN 0.757 nan 8.250 nan 0.000 0.475 142 N N 2.762 121.431 118.700 -0.052 0.000 2.589 142 N HA 0.084 4.824 4.740 -0.001 0.000 0.232 142 N C -1.110 174.256 175.510 -0.239 0.000 1.015 142 N CA -0.216 52.761 53.050 -0.121 0.000 0.931 142 N CB 0.838 39.255 38.487 -0.116 0.000 1.150 142 N HN 0.359 nan 8.380 nan 0.000 0.512 143 E N 0.940 120.968 120.200 -0.287 0.000 2.256 143 E HA 0.406 4.755 4.350 -0.001 0.000 0.267 143 E C -0.790 175.323 176.600 -0.811 0.000 0.892 143 E CA -0.947 55.140 56.400 -0.521 0.000 0.775 143 E CB 2.552 31.972 29.700 -0.467 0.000 1.207 143 E HN 0.082 nan 8.360 nan 0.000 0.420 144 V N 3.359 122.695 119.914 -0.963 0.000 2.439 144 V HA 0.431 4.550 4.120 -0.001 0.000 0.282 144 V C -0.724 174.742 176.094 -1.046 0.000 1.039 144 V CA -0.151 61.608 62.300 -0.901 0.000 0.913 144 V CB 0.066 31.495 31.823 -0.658 0.000 0.983 144 V HN 0.506 nan 8.190 nan 0.000 0.460 145 F N 2.192 121.799 119.950 -0.571 0.000 2.675 145 F HA 0.610 5.136 4.527 -0.000 0.000 0.324 145 F C 0.049 175.687 175.800 -0.270 0.000 1.106 145 F CA -0.899 56.853 58.000 -0.413 0.000 0.970 145 F CB 1.310 40.064 39.000 -0.410 0.000 1.385 145 F HN 0.506 nan 8.300 nan 0.000 0.489 146 C N 2.884 122.323 119.300 0.231 0.000 2.355 146 C HA 0.803 5.263 4.460 -0.001 0.000 0.332 146 C C 0.135 175.366 174.990 0.403 0.000 1.255 146 C CA -0.670 58.509 59.018 0.268 0.000 1.792 146 C CB -0.159 27.681 27.740 0.167 0.000 2.300 146 C HN 0.720 nan 8.230 nan 0.000 0.515 147 V N 4.821 124.981 119.914 0.410 0.000 3.287 147 V HA 0.406 4.526 4.120 -0.001 0.000 0.306 147 V C 0.048 176.218 176.094 0.126 0.000 1.103 147 V CA 0.389 62.834 62.300 0.242 0.000 1.159 147 V CB 0.111 31.994 31.823 0.100 0.000 1.036 147 V HN 1.430 nan 8.190 nan 0.000 0.487 155 K N 2.355 122.808 120.400 0.088 0.000 2.130 155 K HA 0.522 4.842 4.320 -0.001 0.000 0.268 155 K C -2.253 174.404 176.600 0.094 0.000 0.983 155 K CA -1.601 54.704 56.287 0.030 0.000 0.893 155 K CB 1.352 33.791 32.500 -0.101 0.000 1.066 155 K HN 0.154 nan 8.250 nan 0.000 0.450 156 P HA -0.014 nan 4.420 nan 0.000 0.269 156 P C -0.536 176.819 177.300 0.093 0.000 1.215 156 P CA -0.323 62.813 63.100 0.060 0.000 0.780 156 P CB 0.754 32.466 31.700 0.020 0.000 0.898 157 A N 3.604 126.481 122.820 0.096 0.000 2.483 157 A HA 0.129 4.449 4.320 -0.001 0.000 0.238 157 A C 0.692 178.330 177.584 0.091 0.000 1.070 157 A CA -0.142 51.960 52.037 0.109 0.000 0.770 157 A CB -0.186 18.861 19.000 0.078 0.000 1.008 157 A HN 0.485 nan 8.150 nan 0.000 0.497 158 R N 0.542 121.111 120.500 0.115 0.000 2.531 158 R HA 0.491 4.831 4.340 -0.001 0.000 0.273 158 R C -0.727 175.631 176.300 0.096 0.000 1.070 158 R CA -0.348 55.818 56.100 0.110 0.000 1.112 158 R CB 0.553 30.934 30.300 0.135 0.000 1.049 158 R HN 0.661 nan 8.270 nan 0.000 0.508 159 L N 2.444 123.728 121.223 0.102 0.000 2.334 159 L HA 0.532 4.872 4.340 -0.001 0.000 0.275 159 L C -0.394 176.565 176.870 0.149 0.000 1.036 159 L CA -0.984 53.921 54.840 0.108 0.000 0.807 159 L CB 1.424 43.535 42.059 0.086 0.000 1.231 159 L HN 0.457 nan 8.230 nan 0.000 0.438 160 I N 2.388 123.061 120.570 0.173 0.000 2.466 160 I HA 0.479 4.649 4.170 -0.001 0.000 0.289 160 I C -0.997 175.290 176.117 0.282 0.000 1.026 160 I CA -0.333 61.102 61.300 0.225 0.000 1.078 160 I CB 1.930 40.060 38.000 0.217 0.000 1.249 160 I HN 0.183 nan 8.210 nan 0.000 0.429 161 V N 8.886 128.965 119.914 0.277 0.000 2.407 161 V HA 0.593 4.712 4.120 -0.001 0.000 0.291 161 V C -0.742 175.512 176.094 0.266 0.000 1.018 161 V CA -0.453 61.962 62.300 0.193 0.000 0.842 161 V CB 0.985 32.902 31.823 0.156 0.000 0.996 161 V HN 0.592 nan 8.190 nan 0.000 0.426 162 F N 5.139 125.131 119.950 0.071 0.000 2.613 162 F HA 0.950 5.477 4.527 -0.001 0.000 0.310 162 F C -3.020 172.814 175.800 0.057 0.000 1.085 162 F CA -2.809 55.232 58.000 0.069 0.000 0.945 162 F CB 1.684 40.720 39.000 0.060 0.000 1.298 162 F HN 0.285 nan 8.300 nan 0.000 0.455 163 P HA 0.192 nan 4.420 nan 0.000 0.284 163 P C -1.110 176.299 177.300 0.181 0.000 1.292 163 P CA -0.183 62.971 63.100 0.091 0.000 0.800 163 P CB 1.203 32.967 31.700 0.105 0.000 1.188 164 D N -0.963 119.527 120.400 0.150 0.000 2.382 164 D HA -0.037 4.603 4.640 -0.001 0.000 0.240 164 D C 1.347 177.776 176.300 0.215 0.000 1.146 164 D CA -0.295 53.818 54.000 0.188 0.000 0.897 164 D CB 0.273 41.225 40.800 0.253 0.000 1.197 164 D HN 0.098 nan 8.370 nan 0.000 0.432 165 L N 3.273 124.599 121.223 0.172 0.000 2.081 165 L HA -0.023 4.317 4.340 -0.001 0.000 0.212 165 L C 2.026 179.038 176.870 0.235 0.000 1.080 165 L CA 2.577 57.508 54.840 0.153 0.000 0.754 165 L CB -1.051 41.041 42.059 0.055 0.000 0.893 165 L HN 0.655 nan 8.230 nan 0.000 0.433 166 G N -1.281 107.734 108.800 0.357 0.000 2.422 166 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.218 166 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.218 166 G C 1.500 176.537 174.900 0.229 0.000 1.146 166 G CA 1.068 46.414 45.100 0.411 0.000 0.769 166 G HN 0.365 nan 8.290 nan 0.000 0.547 167 V N 0.676 120.716 119.914 0.210 0.000 2.358 167 V HA -0.130 3.990 4.120 -0.001 0.000 0.246 167 V C 2.891 179.075 176.094 0.150 0.000 1.047 167 V CA 1.754 64.144 62.300 0.150 0.000 1.035 167 V CB -0.463 31.435 31.823 0.125 0.000 0.658 167 V HN 0.312 nan 8.190 nan 0.000 0.452 168 R N -0.205 120.390 120.500 0.157 0.000 2.105 168 R HA -0.130 4.210 4.340 -0.001 0.000 0.239 168 R C 2.230 178.594 176.300 0.108 0.000 1.135 168 R CA 1.446 57.628 56.100 0.138 0.000 0.967 168 R CB -0.624 29.748 30.300 0.121 0.000 0.861 168 R HN 0.415 nan 8.270 nan 0.000 0.442 169 V N 0.252 120.225 119.914 0.099 0.000 2.427 169 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 169 V C 2.414 178.545 176.094 0.062 0.000 1.051 169 V CA 1.451 63.780 62.300 0.049 0.000 1.048 169 V CB -0.354 31.492 31.823 0.038 0.000 0.666 169 V HN 0.455 nan 8.190 nan 0.000 0.456 170 C N -0.323 119.061 119.300 0.139 0.000 2.435 170 C HA -0.100 4.360 4.460 -0.001 0.000 0.279 170 C C 2.638 177.805 174.990 0.294 0.000 1.321 170 C CA 0.630 59.811 59.018 0.272 0.000 1.752 170 C CB -0.881 27.081 27.740 0.370 0.000 1.959 170 C HN 0.610 nan 8.230 nan 0.000 0.500 171 E N 0.916 121.241 120.200 0.209 0.000 2.085 171 E HA -0.228 4.122 4.350 -0.001 0.000 0.194 171 E C 2.137 178.857 176.600 0.200 0.000 0.994 171 E CA 1.227 57.758 56.400 0.219 0.000 0.801 171 E CB -0.124 29.710 29.700 0.224 0.000 0.743 171 E HN 0.631 nan 8.360 nan 0.000 0.453 172 K N 0.361 120.846 120.400 0.141 0.000 2.032 172 K HA -0.147 4.173 4.320 -0.001 0.000 0.209 172 K C 2.235 178.898 176.600 0.105 0.000 1.048 172 K CA 1.567 57.922 56.287 0.112 0.000 0.927 172 K CB -0.162 32.319 32.500 -0.031 0.000 0.712 172 K HN 0.119 nan 8.250 nan 0.000 0.441 173 M N 0.224 119.844 119.600 0.032 0.000 2.080 173 M HA -0.201 4.279 4.480 -0.001 0.000 0.260 173 M C 2.421 178.769 176.300 0.080 0.000 1.068 173 M CA 1.884 57.146 55.300 -0.063 0.000 1.109 173 M CB -0.384 31.993 32.600 -0.371 0.000 1.342 173 M HN 0.255 nan 8.290 nan 0.000 0.405 174 A N -0.767 122.217 122.820 0.273 0.000 2.021 174 A HA 0.111 4.430 4.320 -0.001 0.000 0.216 174 A C 1.780 179.465 177.584 0.169 0.000 1.163 174 A CA 0.926 53.160 52.037 0.328 0.000 0.676 174 A CB -0.092 19.158 19.000 0.416 0.000 0.818 174 A HN 0.497 nan 8.150 nan 0.000 0.453 175 L N -3.002 118.306 121.223 0.143 0.000 3.086 175 L HA 0.201 4.540 4.340 -0.001 0.000 0.274 175 L C 1.758 178.660 176.870 0.054 0.000 1.184 175 L CA -0.030 54.835 54.840 0.042 0.000 1.002 175 L CB 0.042 42.092 42.059 -0.015 0.000 1.383 175 L HN 0.403 nan 8.230 nan 0.000 0.582 176 Y N 1.664 121.976 120.300 0.021 0.000 2.097 176 Y HA -0.347 4.203 4.550 -0.000 0.000 0.282 176 Y C 2.249 178.175 175.900 0.044 0.000 1.152 176 Y CA 2.328 60.452 58.100 0.040 0.000 1.136 176 Y CB 0.036 38.507 38.460 0.018 0.000 0.975 176 Y HN 0.230 nan 8.280 nan 0.000 0.498 177 D N -0.782 119.636 120.400 0.030 0.000 2.178 177 D HA -0.154 4.486 4.640 -0.001 0.000 0.201 177 D C 2.157 178.391 176.300 -0.109 0.000 0.980 177 D CA 1.268 55.237 54.000 -0.052 0.000 0.842 177 D CB -0.157 40.667 40.800 0.040 0.000 0.948 177 D HN 0.275 nan 8.370 nan 0.000 0.472 178 V N 0.349 120.203 119.914 -0.100 0.000 2.244 178 V HA -0.200 3.919 4.120 -0.001 0.000 0.244 178 V C 2.684 178.670 176.094 -0.179 0.000 1.042 178 V CA 1.737 63.959 62.300 -0.130 0.000 1.006 178 V CB -0.680 31.038 31.823 -0.175 0.000 0.641 178 V HN 0.322 nan 8.190 nan 0.000 0.446 179 V N -2.081 117.704 119.914 -0.216 0.000 3.078 179 V HA -0.100 4.019 4.120 -0.001 0.000 0.265 179 V C 1.931 177.874 176.094 -0.251 0.000 1.122 179 V CA 2.127 64.296 62.300 -0.219 0.000 1.141 179 V CB -0.437 31.276 31.823 -0.183 0.000 0.735 179 V HN 0.459 nan 8.190 nan 0.000 0.498 180 S N 0.757 116.302 115.700 -0.258 0.000 2.486 180 S HA 0.012 4.482 4.470 -0.001 0.000 0.220 180 S C 1.832 176.337 174.600 -0.157 0.000 1.011 180 S CA 1.188 59.255 58.200 -0.222 0.000 0.921 180 S CB 0.188 63.200 63.200 -0.313 0.000 0.785 180 S HN 0.951 nan 8.310 nan 0.000 0.517 181 T N -1.092 113.364 114.554 -0.163 0.000 2.989 181 T HA 0.297 4.647 4.350 -0.001 0.000 0.250 181 T C 1.610 176.208 174.700 -0.170 0.000 0.981 181 T CA -0.210 61.809 62.100 -0.134 0.000 0.980 181 T CB -0.524 68.292 68.868 -0.086 0.000 1.133 181 T HN 0.201 nan 8.240 nan 0.000 0.489 182 L N 1.921 123.042 121.223 -0.171 0.000 2.046 182 L HA 0.118 4.458 4.340 -0.001 0.000 0.208 182 L C -0.894 175.816 176.870 -0.266 0.000 1.077 182 L CA 1.389 56.133 54.840 -0.160 0.000 0.747 182 L CB -0.770 41.243 42.059 -0.077 0.000 0.896 182 L HN 0.154 nan 8.230 nan 0.000 0.432 183 P HA -0.236 nan 4.420 nan 0.000 0.215 183 P C 1.342 178.216 177.300 -0.711 0.000 1.157 183 P CA 1.268 63.935 63.100 -0.721 0.000 0.874 183 P CB -0.158 30.756 31.700 -1.312 0.000 0.790 184 Q N 0.013 119.446 119.800 -0.612 0.000 2.170 184 Q HA -0.103 4.237 4.340 -0.001 0.000 0.203 184 Q C 1.902 177.775 176.000 -0.211 0.000 0.976 184 Q CA 1.448 57.070 55.803 -0.301 0.000 0.858 184 Q CB -0.704 27.948 28.738 -0.142 0.000 0.907 184 Q HN 0.095 nan 8.270 nan 0.000 0.433 185 V N -0.181 119.612 119.914 -0.200 0.000 2.488 185 V HA -0.163 3.957 4.120 -0.001 0.000 0.246 185 V C 2.453 178.460 176.094 -0.145 0.000 1.046 185 V CA 1.169 63.387 62.300 -0.136 0.000 1.053 185 V CB -0.242 31.518 31.823 -0.105 0.000 0.679 185 V HN 0.104 nan 8.190 nan 0.000 0.458 186 V N -0.493 119.302 119.914 -0.199 0.000 2.379 186 V HA -0.163 3.957 4.120 -0.001 0.000 0.245 186 V C 2.036 177.964 176.094 -0.277 0.000 1.044 186 V CA 2.077 64.257 62.300 -0.201 0.000 1.036 186 V CB -0.380 31.312 31.823 -0.219 0.000 0.664 186 V HN 0.473 nan 8.190 nan 0.000 0.453 187 M N -1.099 118.258 119.600 -0.404 0.000 2.382 187 M HA 0.377 4.857 4.480 -0.001 0.000 0.247 187 M C 1.408 177.574 176.300 -0.224 0.000 1.104 187 M CA 0.728 55.705 55.300 -0.538 0.000 1.030 187 M CB 0.377 32.495 32.600 -0.803 0.000 1.424 187 M HN 0.434 nan 8.290 nan 0.000 0.486 188 G N 1.614 110.319 108.800 -0.158 0.000 2.596 188 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.295 188 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.295 188 G C 0.833 175.674 174.900 -0.097 0.000 1.240 188 G CA 0.805 45.853 45.100 -0.087 0.000 0.985 188 G HN 0.551 nan 8.290 nan 0.000 0.555 189 S N -0.669 114.994 115.700 -0.062 0.000 2.493 189 S HA 0.047 4.517 4.470 -0.001 0.000 0.243 189 S C 2.125 176.547 174.600 -0.297 0.000 0.991 189 S CA 2.027 60.132 58.200 -0.159 0.000 0.957 189 S CB -0.130 63.060 63.200 -0.016 0.000 0.756 189 S HN 1.051 nan 8.310 nan 0.000 0.521 190 S N 0.057 115.711 115.700 -0.077 0.000 2.527 190 S HA 0.160 4.629 4.470 -0.001 0.000 0.222 190 S C 0.151 174.723 174.600 -0.047 0.000 0.985 190 S CA -0.258 57.955 58.200 0.022 0.000 0.921 190 S CB -0.355 62.969 63.200 0.206 0.000 0.772 190 S HN 0.710 nan 8.310 nan 0.000 0.529 191 Y N 2.992 123.120 120.300 -0.288 0.000 2.539 191 Y HA 0.463 5.013 4.550 -0.001 0.000 0.352 191 Y C 1.264 176.904 175.900 -0.433 0.000 1.004 191 Y CA -1.440 56.465 58.100 -0.324 0.000 1.278 191 Y CB -0.011 38.265 38.460 -0.307 0.000 1.136 191 Y HN 0.069 nan 8.280 nan 0.000 0.528 192 G N 4.499 112.855 108.800 -0.740 0.000 2.422 192 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.218 192 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.218 192 G C 1.066 175.407 174.900 -0.930 0.000 1.140 192 G CA 0.287 44.948 45.100 -0.732 0.000 0.775 192 G HN 0.650 nan 8.290 nan 0.000 0.545 193 F N 1.394 120.646 119.950 -1.164 0.000 2.722 193 F HA 0.027 4.554 4.527 -0.001 0.000 0.298 193 F C 2.794 178.336 175.800 -0.430 0.000 1.175 193 F CA 0.947 58.374 58.000 -0.955 0.000 1.462 193 F CB -0.154 38.270 39.000 -0.960 0.000 1.111 193 F HN 0.399 nan 8.300 nan 0.000 0.592 194 Q N -0.978 118.555 119.800 -0.445 0.000 2.424 194 Q HA -0.038 4.302 4.340 -0.001 0.000 0.204 194 Q C -0.543 175.332 176.000 -0.208 0.000 0.933 194 Q CA 0.628 56.285 55.803 -0.244 0.000 0.929 194 Q CB -0.233 28.275 28.738 -0.383 0.000 1.037 194 Q HN 0.280 nan 8.270 nan 0.000 0.511 195 Y N 1.757 122.043 120.300 -0.024 0.000 2.361 195 Y HA 0.352 4.902 4.550 -0.001 0.000 0.332 195 Y C 0.661 176.437 175.900 -0.208 0.000 1.101 195 Y CA -1.381 56.668 58.100 -0.086 0.000 1.137 195 Y CB 1.467 39.845 38.460 -0.138 0.000 1.207 195 Y HN 0.107 nan 8.280 nan 0.000 0.463 196 S N 2.076 117.581 115.700 -0.325 0.000 2.661 196 S HA 0.320 4.790 4.470 -0.001 0.000 0.265 196 S C -2.035 172.247 174.600 -0.529 0.000 1.225 196 S CA -1.079 56.442 58.200 -1.131 0.000 0.986 196 S CB 1.207 63.845 63.200 -0.936 0.000 1.008 196 S HN 0.395 nan 8.310 nan 0.000 0.565 197 P HA 0.016 nan 4.420 nan 0.000 0.215 197 P C 1.728 178.970 177.300 -0.097 0.000 1.157 197 P CA 1.716 64.701 63.100 -0.192 0.000 0.868 197 P CB -0.547 31.109 31.700 -0.074 0.000 0.788 198 G N -0.427 108.292 108.800 -0.135 0.000 2.408 198 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.217 198 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.217 198 G C 1.488 176.341 174.900 -0.078 0.000 1.150 198 G CA 0.522 45.593 45.100 -0.049 0.000 0.776 198 G HN 0.318 nan 8.290 nan 0.000 0.542 199 Q N -0.495 119.234 119.800 -0.118 0.000 2.167 199 Q HA 0.007 4.347 4.340 -0.001 0.000 0.202 199 Q C 2.565 178.404 176.000 -0.267 0.000 0.970 199 Q CA 0.802 56.533 55.803 -0.120 0.000 0.855 199 Q CB -0.112 28.630 28.738 0.005 0.000 0.911 199 Q HN 0.457 nan 8.270 nan 0.000 0.438 200 R N 0.475 120.868 120.500 -0.178 0.000 2.090 200 R HA -0.095 4.245 4.340 -0.001 0.000 0.228 200 R C 2.011 178.237 176.300 -0.123 0.000 1.110 200 R CA 0.969 56.962 56.100 -0.180 0.000 0.973 200 R CB 0.011 30.299 30.300 -0.019 0.000 0.869 200 R HN 0.092 nan 8.270 nan 0.000 0.440 201 V N 1.454 121.318 119.914 -0.084 0.000 2.427 201 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 201 V C 2.345 178.370 176.094 -0.114 0.000 1.051 201 V CA 2.141 64.395 62.300 -0.078 0.000 1.048 201 V CB -0.480 31.337 31.823 -0.011 0.000 0.666 201 V HN 0.492 nan 8.190 nan 0.000 0.456 202 E N -0.098 120.043 120.200 -0.098 0.000 2.051 202 E HA -0.278 4.072 4.350 -0.001 0.000 0.192 202 E C 2.131 178.660 176.600 -0.118 0.000 0.991 202 E CA 1.645 57.990 56.400 -0.092 0.000 0.799 202 E CB -0.256 29.406 29.700 -0.062 0.000 0.748 202 E HN 0.530 nan 8.360 nan 0.000 0.449 203 F N 1.205 120.953 119.950 -0.335 0.000 2.216 203 F HA -0.088 4.438 4.527 -0.001 0.000 0.300 203 F C 1.790 177.462 175.800 -0.212 0.000 1.085 203 F CA 1.149 58.942 58.000 -0.345 0.000 1.326 203 F CB -0.058 38.536 39.000 -0.676 0.000 1.027 203 F HN 0.022 nan 8.300 nan 0.000 0.497 204 L N -1.019 120.031 121.223 -0.289 0.000 2.072 204 L HA -0.168 4.172 4.340 -0.001 0.000 0.205 204 L C 2.330 179.040 176.870 -0.268 0.000 1.079 204 L CA 0.832 55.490 54.840 -0.303 0.000 0.752 204 L CB -0.734 41.212 42.059 -0.188 0.000 0.906 204 L HN -0.027 nan 8.230 nan 0.000 0.436 205 V N -0.126 119.622 119.914 -0.277 0.000 2.323 205 V HA -0.212 3.907 4.120 -0.001 0.000 0.244 205 V C 2.137 178.129 176.094 -0.170 0.000 1.041 205 V CA 1.617 63.744 62.300 -0.288 0.000 1.025 205 V CB -0.654 30.888 31.823 -0.468 0.000 0.656 205 V HN 0.456 nan 8.190 nan 0.000 0.451 206 N N 0.154 118.743 118.700 -0.185 0.000 2.223 206 N HA -0.130 4.609 4.740 -0.001 0.000 0.185 206 N C 1.865 177.269 175.510 -0.177 0.000 1.016 206 N CA 1.835 54.800 53.050 -0.141 0.000 0.863 206 N CB -0.463 37.960 38.487 -0.108 0.000 0.983 206 N HN 0.465 nan 8.380 nan 0.000 0.429 207 T N 0.197 114.568 114.554 -0.304 0.000 2.770 207 T HA -0.100 4.250 4.350 -0.001 0.000 0.263 207 T C 1.493 176.098 174.700 -0.158 0.000 1.039 207 T CA 0.400 62.307 62.100 -0.323 0.000 1.142 207 T CB -0.186 68.328 68.868 -0.590 0.000 0.868 207 T HN 0.410 nan 8.240 nan 0.000 0.435 208 W N 2.543 123.679 121.300 -0.273 0.000 2.338 208 W HA -0.119 4.541 4.660 -0.001 0.000 0.304 208 W C 1.627 178.060 176.519 -0.145 0.000 1.212 208 W CA 1.273 58.501 57.345 -0.197 0.000 1.264 208 W CB -0.158 29.177 29.460 -0.208 0.000 1.142 208 W HN 0.266 nan 8.180 nan 0.000 0.512 209 K N 0.039 120.439 120.400 -0.000 0.000 2.288 209 K HA -0.060 4.260 4.320 -0.001 0.000 0.201 209 K C 2.059 178.596 176.600 -0.104 0.000 1.048 209 K CA 1.211 57.472 56.287 -0.044 0.000 0.956 209 K CB -0.188 32.311 32.500 -0.001 0.000 0.746 209 K HN -0.086 nan 8.250 nan 0.000 0.461 210 S N 0.969 116.595 115.700 -0.123 0.000 2.442 210 S HA -0.032 4.437 4.470 -0.001 0.000 0.236 210 S C 0.477 174.996 174.600 -0.134 0.000 1.007 210 S CA 1.119 59.252 58.200 -0.112 0.000 0.965 210 S CB 0.062 63.194 63.200 -0.112 0.000 0.773 210 S HN 0.158 nan 8.310 nan 0.000 0.504 211 K N 1.831 122.108 120.400 -0.206 0.000 2.183 211 K HA 0.332 4.651 4.320 -0.001 0.000 0.274 211 K C 0.499 176.976 176.600 -0.205 0.000 1.009 211 K CA -0.298 55.857 56.287 -0.220 0.000 0.888 211 K CB 1.044 33.356 32.500 -0.313 0.000 1.078 211 K HN 0.059 nan 8.250 nan 0.000 0.459 212 K N 1.071 121.387 120.400 -0.140 0.000 2.026 212 K HA -0.061 4.259 4.320 -0.001 0.000 0.208 212 K C 0.249 176.774 176.600 -0.125 0.000 1.048 212 K CA 1.154 57.376 56.287 -0.107 0.000 0.929 212 K CB 0.142 32.598 32.500 -0.073 0.000 0.713 212 K HN 0.402 nan 8.250 nan 0.000 0.439 213 N N 1.310 119.926 118.700 -0.140 0.000 2.841 213 N HA 0.182 4.921 4.740 -0.001 0.000 0.257 213 N C -2.821 172.566 175.510 -0.205 0.000 1.396 213 N CA -1.223 51.749 53.050 -0.130 0.000 0.823 213 N CB 1.329 39.774 38.487 -0.070 0.000 1.162 213 N HN 0.066 nan 8.380 nan 0.000 0.503 214 P HA 0.046 nan 4.420 nan 0.000 0.265 214 P C -0.220 176.730 177.300 -0.584 0.000 1.193 214 P CA -0.034 62.599 63.100 -0.779 0.000 0.765 214 P CB 1.124 31.803 31.700 -1.701 0.000 0.823 215 M N 2.421 121.748 119.600 -0.455 0.000 2.371 215 M HA 0.620 5.100 4.480 -0.001 0.000 0.287 215 M C -1.275 174.975 176.300 -0.084 0.000 1.149 215 M CA -0.262 54.904 55.300 -0.223 0.000 0.929 215 M CB 2.474 35.012 32.600 -0.103 0.000 1.683 215 M HN 0.602 nan 8.290 nan 0.000 0.470 216 G N 3.467 112.313 108.800 0.077 0.000 2.690 216 G HA2 0.855 4.815 3.960 -0.001 0.000 0.291 216 G HA3 0.855 4.815 3.960 -0.001 0.000 0.291 216 G C -2.006 172.998 174.900 0.173 0.000 1.403 216 G CA -0.612 44.573 45.100 0.141 0.000 0.864 216 G HN 0.860 nan 8.290 nan 0.000 0.480 217 F N -0.789 119.127 119.950 -0.056 0.000 2.713 217 F HA 0.824 5.351 4.527 -0.000 0.000 0.311 217 F C -0.377 175.410 175.800 -0.022 0.000 1.141 217 F CA -1.316 56.650 58.000 -0.057 0.000 0.939 217 F CB 1.309 40.259 39.000 -0.084 0.000 1.325 217 F HN 0.723 nan 8.300 nan 0.000 0.453 218 S N 0.605 116.370 115.700 0.109 0.000 2.578 218 S HA 0.722 5.191 4.470 -0.001 0.000 0.301 218 S C -1.803 172.966 174.600 0.282 0.000 1.091 218 S CA -0.665 57.564 58.200 0.049 0.000 1.032 218 S CB 1.995 65.216 63.200 0.034 0.000 1.064 218 S HN 0.946 nan 8.310 nan 0.000 0.508 219 Y N 1.264 121.648 120.300 0.139 0.000 2.326 219 Y HA 0.473 5.022 4.550 -0.001 0.000 0.329 219 Y C -1.259 174.755 175.900 0.190 0.000 0.973 219 Y CA -0.707 57.547 58.100 0.256 0.000 1.162 219 Y CB 1.493 40.196 38.460 0.405 0.000 1.147 219 Y HN 0.905 nan 8.280 nan 0.000 0.456 220 D N 4.392 124.657 120.400 -0.225 0.000 2.427 220 D HA 0.257 4.896 4.640 -0.001 0.000 0.226 220 D C -0.858 175.340 176.300 -0.169 0.000 1.076 220 D CA -0.138 53.804 54.000 -0.096 0.000 0.849 220 D CB 1.115 41.879 40.800 -0.061 0.000 1.052 220 D HN 0.435 nan 8.370 nan 0.000 0.515 221 T N 3.717 118.348 114.554 0.127 0.000 2.869 221 T HA 0.135 4.485 4.350 -0.001 0.000 0.295 221 T C 0.355 175.165 174.700 0.185 0.000 0.987 221 T CA -0.559 61.688 62.100 0.245 0.000 1.109 221 T CB 0.810 70.026 68.868 0.580 0.000 0.932 221 T HN 0.293 nan 8.240 nan 0.000 0.518 222 R N 2.606 123.174 120.500 0.114 0.000 2.343 222 R HA 0.059 4.399 4.340 -0.001 0.000 0.326 222 R C 0.098 176.507 176.300 0.183 0.000 1.055 222 R CA -0.066 56.089 56.100 0.092 0.000 0.961 222 R CB -1.054 29.247 30.300 0.002 0.000 0.978 222 R HN 0.962 nan 8.270 nan 0.000 0.443 223 C N 6.570 126.001 119.300 0.218 0.000 3.004 223 C HA -0.197 4.262 4.460 -0.001 0.000 0.267 223 C C 1.269 176.462 174.990 0.339 0.000 1.211 223 C CA 0.114 59.304 59.018 0.287 0.000 2.485 223 C CB -2.389 25.552 27.740 0.334 0.000 1.539 223 C HN 1.018 nan 8.230 nan 0.000 0.462 224 F N 2.030 122.101 119.950 0.201 0.000 2.120 224 F HA -0.097 4.430 4.527 -0.000 0.000 0.300 224 F C 1.812 177.726 175.800 0.190 0.000 1.095 224 F CA 2.512 60.632 58.000 0.200 0.000 1.249 224 F CB -0.076 39.032 39.000 0.179 0.000 0.995 224 F HN 0.611 nan 8.300 nan 0.000 0.480 225 D N -0.483 120.160 120.400 0.406 0.000 2.149 225 D HA -0.162 4.477 4.640 -0.001 0.000 0.198 225 D C 2.431 178.811 176.300 0.133 0.000 0.990 225 D CA 1.623 55.791 54.000 0.281 0.000 0.839 225 D CB -0.452 40.516 40.800 0.279 0.000 0.948 225 D HN 0.247 nan 8.370 nan 0.000 0.460 226 S N -0.580 115.219 115.700 0.165 0.000 2.453 226 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 226 S C 2.012 176.585 174.600 -0.045 0.000 1.005 226 S CA 1.287 59.505 58.200 0.030 0.000 0.949 226 S CB -0.135 63.109 63.200 0.074 0.000 0.774 226 S HN 0.518 nan 8.310 nan 0.000 0.510 227 T N -0.343 114.238 114.554 0.045 0.000 3.088 227 T HA 0.122 4.472 4.350 -0.001 0.000 0.259 227 T C 0.598 175.217 174.700 -0.135 0.000 1.122 227 T CA 0.020 62.123 62.100 0.005 0.000 1.095 227 T CB -0.430 68.393 68.868 -0.075 0.000 0.930 227 T HN 0.036 nan 8.240 nan 0.000 0.508 228 V N 4.084 123.896 119.914 -0.171 0.000 2.479 228 V HA 0.315 4.435 4.120 -0.001 0.000 0.281 228 V C 1.102 177.150 176.094 -0.077 0.000 1.031 228 V CA -0.245 61.983 62.300 -0.120 0.000 1.038 228 V CB -0.069 31.733 31.823 -0.035 0.000 0.981 228 V HN 0.706 nan 8.190 nan 0.000 0.478 229 T N 0.677 115.196 114.554 -0.059 0.000 2.912 229 T HA 0.324 4.673 4.350 -0.001 0.000 0.280 229 T C 1.022 175.708 174.700 -0.023 0.000 0.989 229 T CA -0.402 61.669 62.100 -0.049 0.000 0.995 229 T CB 1.605 70.439 68.868 -0.058 0.000 1.077 229 T HN 0.688 nan 8.240 nan 0.000 0.531 230 E N 0.537 120.730 120.200 -0.012 0.000 2.130 230 E HA -0.297 4.052 4.350 -0.001 0.000 0.196 230 E C 1.892 178.497 176.600 0.009 0.000 0.998 230 E CA 1.743 58.148 56.400 0.008 0.000 0.806 230 E CB -0.214 29.498 29.700 0.020 0.000 0.738 230 E HN 0.781 nan 8.360 nan 0.000 0.459 231 N N 0.553 119.249 118.700 -0.006 0.000 2.084 231 N HA -0.192 4.548 4.740 -0.001 0.000 0.190 231 N C 1.445 176.964 175.510 0.016 0.000 1.030 231 N CA 2.041 55.089 53.050 -0.003 0.000 0.849 231 N CB -0.090 38.377 38.487 -0.032 0.000 1.012 231 N HN 0.118 nan 8.380 nan 0.000 0.423 232 D N 0.205 120.613 120.400 0.013 0.000 2.104 232 D HA -0.127 4.513 4.640 -0.001 0.000 0.194 232 D C 1.979 178.292 176.300 0.021 0.000 0.994 232 D CA 1.061 55.082 54.000 0.034 0.000 0.830 232 D CB -0.295 40.521 40.800 0.027 0.000 0.959 232 D HN 0.463 nan 8.370 nan 0.000 0.452 233 I N 0.526 121.110 120.570 0.025 0.000 2.315 233 I HA -0.203 3.967 4.170 -0.001 0.000 0.248 233 I C 2.471 178.603 176.117 0.026 0.000 1.117 233 I CA 0.931 62.254 61.300 0.038 0.000 1.404 233 I CB -0.119 37.924 38.000 0.072 0.000 1.071 233 I HN -0.100 nan 8.210 nan 0.000 0.419 234 R N 0.094 120.608 120.500 0.023 0.000 2.090 234 R HA -0.068 4.272 4.340 -0.001 0.000 0.228 234 R C 2.334 178.620 176.300 -0.024 0.000 1.110 234 R CA 0.908 57.017 56.100 0.014 0.000 0.973 234 R CB -0.308 30.003 30.300 0.019 0.000 0.869 234 R HN 0.199 nan 8.270 nan 0.000 0.440 235 V N 1.598 121.497 119.914 -0.025 0.000 2.343 235 V HA -0.234 3.886 4.120 -0.001 0.000 0.247 235 V C 1.878 177.881 176.094 -0.152 0.000 1.051 235 V CA 1.838 64.107 62.300 -0.051 0.000 1.036 235 V CB -0.371 31.455 31.823 0.005 0.000 0.654 235 V HN 0.367 nan 8.190 nan 0.000 0.451 236 E N -0.357 119.725 120.200 -0.198 0.000 2.110 236 E HA -0.254 4.096 4.350 -0.001 0.000 0.193 236 E C 2.250 178.379 176.600 -0.784 0.000 0.988 236 E CA 1.206 57.327 56.400 -0.466 0.000 0.804 236 E CB -0.133 29.353 29.700 -0.356 0.000 0.745 236 E HN 0.629 nan 8.360 nan 0.000 0.458 237 E N 0.802 120.800 120.200 -0.337 0.000 2.072 237 E HA -0.176 4.174 4.350 -0.001 0.000 0.191 237 E C 2.212 178.746 176.600 -0.111 0.000 0.985 237 E CA 1.352 57.678 56.400 -0.123 0.000 0.801 237 E CB 0.055 29.798 29.700 0.072 0.000 0.750 237 E HN 0.223 nan 8.360 nan 0.000 0.452 238 S N 0.569 116.200 115.700 -0.114 0.000 2.383 238 S HA -0.166 4.304 4.470 -0.001 0.000 0.229 238 S C 2.072 176.617 174.600 -0.091 0.000 1.030 238 S CA 1.083 59.241 58.200 -0.070 0.000 1.002 238 S CB -0.584 62.581 63.200 -0.059 0.000 0.829 238 S HN 0.290 nan 8.310 nan 0.000 0.467 239 I N 0.081 120.536 120.570 -0.191 0.000 2.252 239 I HA -0.135 4.035 4.170 -0.001 0.000 0.245 239 I C 2.374 178.459 176.117 -0.052 0.000 1.102 239 I CA 1.375 62.577 61.300 -0.164 0.000 1.385 239 I CB -0.548 37.304 38.000 -0.248 0.000 1.064 239 I HN 0.235 nan 8.210 nan 0.000 0.414 240 Y N 1.076 121.369 120.300 -0.012 0.000 2.165 240 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 240 Y C 2.672 178.573 175.900 0.003 0.000 1.155 240 Y CA 0.711 58.808 58.100 -0.006 0.000 1.164 240 Y CB -1.072 37.397 38.460 0.015 0.000 0.978 240 Y HN 0.228 nan 8.280 nan 0.000 0.513 241 Q N -1.157 118.737 119.800 0.156 0.000 2.437 241 Q HA -0.131 4.209 4.340 -0.001 0.000 0.210 241 Q C 2.301 178.334 176.000 0.054 0.000 0.972 241 Q CA 0.916 56.774 55.803 0.092 0.000 0.903 241 Q CB -0.803 27.973 28.738 0.064 0.000 0.967 241 Q HN 0.519 nan 8.270 nan 0.000 0.486 242 C N 0.068 119.393 119.300 0.041 0.000 2.448 242 C HA -0.024 4.435 4.460 -0.001 0.000 0.280 242 C C 1.593 176.597 174.990 0.025 0.000 1.398 242 C CA -0.682 58.348 59.018 0.020 0.000 1.774 242 C CB -0.632 27.108 27.740 0.001 0.000 1.888 242 C HN 0.415 nan 8.230 nan 0.000 0.519 243 C N 1.723 121.048 119.300 0.041 0.000 2.705 243 C HA 0.144 4.603 4.460 -0.001 0.000 0.382 243 C C 0.527 175.535 174.990 0.030 0.000 1.322 243 C CA -0.216 58.821 59.018 0.032 0.000 2.290 243 C CB -0.204 27.560 27.740 0.040 0.000 2.650 243 C HN 0.497 nan 8.230 nan 0.000 0.695 244 D N 1.608 122.021 120.400 0.022 0.000 2.365 244 D HA 0.482 5.122 4.640 -0.001 0.000 0.237 244 D C -0.640 175.677 176.300 0.028 0.000 1.190 244 D CA 0.269 54.282 54.000 0.022 0.000 0.867 244 D CB -0.043 40.766 40.800 0.015 0.000 1.050 244 D HN 0.399 nan 8.370 nan 0.000 0.491 245 L N 1.843 123.087 121.223 0.035 0.000 2.333 245 L HA 0.693 5.032 4.340 -0.001 0.000 0.263 245 L C 0.395 177.293 176.870 0.047 0.000 1.014 245 L CA -1.547 53.319 54.840 0.045 0.000 0.820 245 L CB 1.733 43.826 42.059 0.056 0.000 1.352 245 L HN 0.286 nan 8.230 nan 0.000 0.421 246 A N 1.367 124.221 122.820 0.057 0.000 2.445 246 A HA 0.371 4.691 4.320 -0.001 0.000 0.242 246 A C -1.824 175.799 177.584 0.064 0.000 1.075 246 A CA -0.890 51.182 52.037 0.059 0.000 0.777 246 A CB -0.069 18.974 19.000 0.072 0.000 1.013 246 A HN 0.631 nan 8.150 nan 0.000 0.493 247 P HA -0.195 nan 4.420 nan 0.000 0.216 247 P C 1.310 178.642 177.300 0.052 0.000 1.150 247 P CA 1.686 64.813 63.100 0.044 0.000 0.843 247 P CB 0.237 31.957 31.700 0.033 0.000 0.787 248 E N -0.495 119.755 120.200 0.083 0.000 2.153 248 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 248 E C 1.847 178.527 176.600 0.134 0.000 0.988 248 E CA 1.101 57.571 56.400 0.117 0.000 0.811 248 E CB -0.399 29.427 29.700 0.209 0.000 0.746 248 E HN 0.097 nan 8.360 nan 0.000 0.466 249 A N 1.018 123.933 122.820 0.158 0.000 1.968 249 A HA -0.087 4.233 4.320 -0.001 0.000 0.217 249 A C 2.097 179.732 177.584 0.085 0.000 1.169 249 A CA 0.905 53.043 52.037 0.168 0.000 0.638 249 A CB -0.270 18.823 19.000 0.154 0.000 0.812 249 A HN 0.144 nan 8.150 nan 0.000 0.446 250 R N -0.930 119.606 120.500 0.061 0.000 2.081 250 R HA -0.175 4.165 4.340 -0.001 0.000 0.235 250 R C 2.472 178.778 176.300 0.011 0.000 1.131 250 R CA 1.700 57.827 56.100 0.044 0.000 0.960 250 R CB -0.276 30.047 30.300 0.038 0.000 0.856 250 R HN 0.633 nan 8.270 nan 0.000 0.436 251 Q N 0.693 120.481 119.800 -0.020 0.000 2.084 251 Q HA -0.091 4.249 4.340 -0.001 0.000 0.202 251 Q C 1.911 177.829 176.000 -0.136 0.000 0.978 251 Q CA 1.926 57.686 55.803 -0.072 0.000 0.844 251 Q CB -0.152 28.532 28.738 -0.090 0.000 0.898 251 Q HN 0.342 nan 8.270 nan 0.000 0.426 252 A N 0.094 122.799 122.820 -0.191 0.000 1.898 252 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 252 A C 2.091 179.598 177.584 -0.127 0.000 1.181 252 A CA 1.398 53.248 52.037 -0.311 0.000 0.620 252 A CB -0.651 18.054 19.000 -0.491 0.000 0.819 252 A HN 0.482 nan 8.150 nan 0.000 0.442 253 I N -0.389 120.174 120.570 -0.012 0.000 2.315 253 I HA -0.236 3.933 4.170 -0.001 0.000 0.248 253 I C 2.526 178.686 176.117 0.072 0.000 1.117 253 I CA 1.705 63.050 61.300 0.075 0.000 1.404 253 I CB -0.208 37.865 38.000 0.121 0.000 1.071 253 I HN 0.417 nan 8.210 nan 0.000 0.419 254 K N 0.686 121.102 120.400 0.026 0.000 2.026 254 K HA -0.204 4.116 4.320 -0.001 0.000 0.208 254 K C 2.343 178.928 176.600 -0.024 0.000 1.048 254 K CA 1.897 58.195 56.287 0.019 0.000 0.929 254 K CB -0.145 32.354 32.500 -0.001 0.000 0.713 254 K HN 0.095 nan 8.250 nan 0.000 0.439 255 S N 0.880 116.533 115.700 -0.080 0.000 2.353 255 S HA -0.097 4.372 4.470 -0.001 0.000 0.222 255 S C 2.020 176.529 174.600 -0.152 0.000 1.035 255 S CA 1.244 59.373 58.200 -0.118 0.000 1.025 255 S CB -0.301 62.796 63.200 -0.172 0.000 0.902 255 S HN 0.371 nan 8.310 nan 0.000 0.440 256 L N 0.681 121.784 121.223 -0.200 0.000 2.079 256 L HA -0.127 4.213 4.340 -0.001 0.000 0.210 256 L C 2.717 179.300 176.870 -0.479 0.000 1.081 256 L CA 1.544 56.144 54.840 -0.400 0.000 0.752 256 L CB -0.991 40.787 42.059 -0.468 0.000 0.896 256 L HN 0.359 nan 8.230 nan 0.000 0.433 257 T N -0.997 113.484 114.554 -0.121 0.000 2.674 257 T HA -0.155 4.194 4.350 -0.001 0.000 0.265 257 T C 1.792 176.509 174.700 0.029 0.000 1.039 257 T CA 1.206 63.372 62.100 0.109 0.000 1.150 257 T CB -0.091 68.899 68.868 0.204 0.000 0.864 257 T HN 0.307 nan 8.240 nan 0.000 0.427 258 E N 1.171 121.365 120.200 -0.010 0.000 2.072 258 E HA -0.052 4.298 4.350 -0.001 0.000 0.191 258 E C 2.391 178.975 176.600 -0.027 0.000 0.985 258 E CA 1.024 57.419 56.400 -0.009 0.000 0.801 258 E CB -0.159 29.532 29.700 -0.017 0.000 0.750 258 E HN 0.485 nan 8.360 nan 0.000 0.452 259 R N -0.435 120.021 120.500 -0.074 0.000 2.173 259 R HA 0.085 4.425 4.340 -0.001 0.000 0.208 259 R C 1.970 178.210 176.300 -0.100 0.000 1.035 259 R CA 0.399 56.453 56.100 -0.076 0.000 1.004 259 R CB 0.168 30.414 30.300 -0.090 0.000 0.917 259 R HN 0.054 nan 8.270 nan 0.000 0.462 260 L N -1.955 119.164 121.223 -0.172 0.000 2.666 260 L HA 0.184 4.524 4.340 -0.001 0.000 0.184 260 L C 1.412 178.263 176.870 -0.030 0.000 1.092 260 L CA 0.773 55.511 54.840 -0.169 0.000 0.857 260 L CB -0.363 41.512 42.059 -0.307 0.000 1.281 260 L HN -0.137 nan 8.230 nan 0.000 0.489 261 Y N 0.544 120.860 120.300 0.026 0.000 2.165 261 Y HA -0.136 4.414 4.550 -0.001 0.000 0.286 261 Y C 2.610 178.519 175.900 0.015 0.000 1.155 261 Y CA 1.598 59.721 58.100 0.040 0.000 1.164 261 Y CB -1.034 37.474 38.460 0.079 0.000 0.978 261 Y HN 0.141 nan 8.280 nan 0.000 0.513 262 I N -1.039 119.624 120.570 0.156 0.000 2.361 262 I HA -0.071 4.099 4.170 -0.001 0.000 0.251 262 I C 1.245 177.377 176.117 0.024 0.000 1.133 262 I CA 1.369 62.718 61.300 0.081 0.000 1.413 262 I CB -0.382 37.657 38.000 0.064 0.000 1.073 262 I HN 0.326 nan 8.210 nan 0.000 0.424 263 G N -1.104 107.688 108.800 -0.012 0.000 2.324 263 G HA2 0.481 4.441 3.960 -0.001 0.000 0.293 263 G HA3 0.481 4.441 3.960 -0.001 0.000 0.293 263 G C -0.985 173.767 174.900 -0.247 0.000 1.297 263 G CA -0.162 44.865 45.100 -0.122 0.000 0.853 263 G HN 0.417 nan 8.290 nan 0.000 0.535 264 G N -0.997 107.380 108.800 -0.705 0.000 2.320 264 G HA2 0.699 4.659 3.960 -0.001 0.000 0.297 264 G HA3 0.699 4.659 3.960 -0.001 0.000 0.297 264 G C -3.468 170.666 174.900 -1.276 0.000 1.344 264 G CA 0.154 44.738 45.100 -0.860 0.000 0.851 264 G HN 0.804 nan 8.290 nan 0.000 0.567 265 P HA 0.492 nan 4.420 nan 0.000 0.274 265 P C -0.616 176.581 177.300 -0.172 0.000 1.231 265 P CA -0.215 62.743 63.100 -0.236 0.000 0.790 265 P CB 1.373 33.096 31.700 0.038 0.000 0.951 266 L N 1.906 123.081 121.223 -0.080 0.000 2.313 266 L HA 0.474 4.813 4.340 -0.001 0.000 0.283 266 L C 0.391 177.263 176.870 0.004 0.000 1.013 266 L CA -0.242 54.577 54.840 -0.035 0.000 0.816 266 L CB 1.813 43.883 42.059 0.018 0.000 1.236 266 L HN 0.285 nan 8.230 nan 0.000 0.419 267 T N 1.464 116.001 114.554 -0.028 0.000 2.824 267 T HA 0.324 4.674 4.350 -0.001 0.000 0.282 267 T C -0.255 174.427 174.700 -0.030 0.000 0.993 267 T CA -0.836 61.251 62.100 -0.021 0.000 0.967 267 T CB 1.434 70.275 68.868 -0.046 0.000 0.960 267 T HN 0.651 nan 8.240 nan 0.000 0.441 268 N N 0.854 119.554 118.700 0.001 0.000 2.347 268 N HA 0.115 4.855 4.740 -0.001 0.000 0.253 268 N C 1.464 176.964 175.510 -0.016 0.000 1.274 268 N CA -0.284 52.767 53.050 0.002 0.000 0.941 268 N CB 0.161 38.661 38.487 0.022 0.000 1.200 268 N HN 0.450 nan 8.380 nan 0.000 0.514 269 S N -1.218 114.480 115.700 -0.003 0.000 2.465 269 S HA -0.143 4.327 4.470 -0.001 0.000 0.241 269 S C 0.966 175.560 174.600 -0.010 0.000 1.000 269 S CA 0.802 59.001 58.200 -0.003 0.000 0.964 269 S CB -0.456 62.755 63.200 0.019 0.000 0.763 269 S HN 0.635 nan 8.310 nan 0.000 0.512 270 K N 0.301 120.697 120.400 -0.007 0.000 2.374 270 K HA 0.294 4.614 4.320 -0.001 0.000 0.196 270 K C 1.246 177.838 176.600 -0.013 0.000 1.023 270 K CA 0.377 56.659 56.287 -0.008 0.000 1.103 270 K CB 0.121 32.621 32.500 0.001 0.000 0.848 270 K HN 0.528 nan 8.250 nan 0.000 0.528 271 G N 1.597 110.386 108.800 -0.018 0.000 2.175 271 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.244 271 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.244 271 G C -0.216 174.682 174.900 -0.004 0.000 0.982 271 G CA -0.197 44.891 45.100 -0.020 0.000 0.641 271 G HN 0.326 nan 8.290 nan 0.000 0.527 272 Q N 0.243 120.047 119.800 0.007 0.000 2.235 272 Q HA 0.332 4.671 4.340 -0.001 0.000 0.250 272 Q C 0.358 176.378 176.000 0.033 0.000 0.909 272 Q CA -0.533 55.283 55.803 0.021 0.000 0.910 272 Q CB 1.020 29.774 28.738 0.026 0.000 1.223 272 Q HN 0.410 nan 8.270 nan 0.000 0.432 273 N N 1.727 120.453 118.700 0.043 0.000 2.431 273 N HA -0.007 4.733 4.740 -0.001 0.000 0.265 273 N C -0.183 175.381 175.510 0.090 0.000 1.184 273 N CA -0.390 52.696 53.050 0.059 0.000 0.943 273 N CB 0.512 39.035 38.487 0.061 0.000 1.080 273 N HN 0.606 nan 8.380 nan 0.000 0.477 274 C N 2.981 122.352 119.300 0.118 0.000 2.634 274 C HA 0.397 4.856 4.460 -0.001 0.000 0.268 274 C C 1.230 176.387 174.990 0.278 0.000 1.322 274 C CA 0.427 59.570 59.018 0.208 0.000 1.737 274 C CB -1.062 26.829 27.740 0.252 0.000 1.976 274 C HN 0.960 nan 8.230 nan 0.000 0.547 275 G N -1.453 107.431 108.800 0.140 0.000 2.368 275 G HA2 0.314 4.274 3.960 -0.001 0.000 0.269 275 G HA3 0.314 4.274 3.960 -0.001 0.000 0.269 275 G C -2.197 172.717 174.900 0.024 0.000 1.291 275 G CA -0.439 44.683 45.100 0.037 0.000 0.903 275 G HN 0.001 nan 8.290 nan 0.000 0.483 276 Y N 0.592 120.752 120.300 -0.234 0.000 2.492 276 Y HA 0.765 5.315 4.550 -0.001 0.000 0.346 276 Y C 0.112 175.878 175.900 -0.223 0.000 0.997 276 Y CA -0.862 57.135 58.100 -0.173 0.000 1.025 276 Y CB 2.048 40.429 38.460 -0.132 0.000 1.263 276 Y HN 0.698 nan 8.280 nan 0.000 0.454 277 R N 4.511 124.767 120.500 -0.405 0.000 2.460 277 R HA 0.551 4.891 4.340 -0.001 0.000 0.303 277 R C -0.601 175.515 176.300 -0.307 0.000 0.968 277 R CA -0.523 55.341 56.100 -0.394 0.000 0.889 277 R CB 0.920 31.041 30.300 -0.299 0.000 1.123 277 R HN 0.912 nan 8.270 nan 0.000 0.455 278 R N 3.054 123.355 120.500 -0.333 0.000 2.642 278 R HA 0.198 4.538 4.340 -0.001 0.000 0.435 278 R C -0.544 175.628 176.300 -0.214 0.000 1.046 278 R CA -0.235 55.765 56.100 -0.166 0.000 1.103 278 R CB 0.542 30.799 30.300 -0.072 0.000 1.425 278 R HN 0.792 nan 8.270 nan 0.000 0.586 279 C N -1.614 117.500 119.300 -0.311 0.000 3.308 279 C HA 0.627 5.087 4.460 -0.001 0.000 0.360 279 C C -0.078 174.844 174.990 -0.113 0.000 1.695 279 C CA -1.477 57.406 59.018 -0.225 0.000 1.366 279 C CB 1.236 28.781 27.740 -0.325 0.000 2.121 279 C HN 0.322 nan 8.230 nan 0.000 0.442 280 R N 1.210 121.697 120.500 -0.022 0.000 2.538 280 R HA 0.462 4.801 4.340 -0.001 0.000 0.282 280 R C 0.028 176.383 176.300 0.093 0.000 1.009 280 R CA 0.987 57.127 56.100 0.065 0.000 1.063 280 R CB -0.189 30.191 30.300 0.133 0.000 0.945 280 R HN 1.175 nan 8.270 nan 0.000 0.414 281 A N 3.478 126.368 122.820 0.116 0.000 2.328 281 A HA 0.273 4.593 4.320 -0.001 0.000 0.284 281 A C 0.769 178.454 177.584 0.169 0.000 1.160 281 A CA -0.030 52.096 52.037 0.147 0.000 0.818 281 A CB 0.635 19.729 19.000 0.157 0.000 1.087 281 A HN 0.989 nan 8.150 nan 0.000 0.504 282 S N 1.693 117.507 115.700 0.190 0.000 2.558 282 S HA 0.149 4.619 4.470 -0.001 0.000 0.217 282 S C 0.996 175.699 174.600 0.172 0.000 0.975 282 S CA 0.533 58.841 58.200 0.180 0.000 0.912 282 S CB 0.164 63.477 63.200 0.189 0.000 0.776 282 S HN 1.223 nan 8.310 nan 0.000 0.526 283 G N 1.810 110.734 108.800 0.207 0.000 4.433 283 G HA2 0.523 4.483 3.960 -0.001 0.000 0.304 283 G HA3 0.523 4.483 3.960 -0.001 0.000 0.304 283 G C -0.131 174.901 174.900 0.221 0.000 1.254 283 G CA -0.165 45.065 45.100 0.218 0.000 0.999 283 G HN 0.531 nan 8.290 nan 0.000 0.576 284 V N -2.652 117.376 119.914 0.189 0.000 3.113 284 V HA 0.587 4.706 4.120 -0.001 0.000 0.316 284 V C 1.322 177.503 176.094 0.144 0.000 1.125 284 V CA -0.963 61.465 62.300 0.213 0.000 1.026 284 V CB 1.698 33.713 31.823 0.320 0.000 1.080 284 V HN 0.052 nan 8.190 nan 0.000 0.444 285 L N 2.155 123.475 121.223 0.162 0.000 2.083 285 L HA -0.038 4.301 4.340 -0.001 0.000 0.209 285 L C 2.330 179.217 176.870 0.029 0.000 1.083 285 L CA 3.034 57.949 54.840 0.125 0.000 0.752 285 L CB -0.655 41.505 42.059 0.167 0.000 0.899 285 L HN 1.092 nan 8.230 nan 0.000 0.433 286 T N -5.942 108.553 114.554 -0.099 0.000 3.129 286 T HA -0.011 4.339 4.350 -0.001 0.000 0.251 286 T C 1.593 176.232 174.700 -0.101 0.000 1.117 286 T CA 0.750 62.734 62.100 -0.193 0.000 1.034 286 T CB -0.689 67.883 68.868 -0.493 0.000 0.968 286 T HN 0.252 nan 8.240 nan 0.000 0.526 287 T N 2.021 116.555 114.554 -0.035 0.000 2.684 287 T HA -0.163 4.186 4.350 -0.001 0.000 0.267 287 T C 2.210 176.929 174.700 0.032 0.000 1.036 287 T CA 1.796 63.912 62.100 0.026 0.000 1.148 287 T CB -0.612 68.299 68.868 0.071 0.000 0.863 287 T HN 0.565 nan 8.240 nan 0.000 0.436 288 S N -0.162 115.531 115.700 -0.011 0.000 2.338 288 S HA -0.152 4.318 4.470 -0.001 0.000 0.218 288 S C 2.466 177.076 174.600 0.017 0.000 1.032 288 S CA 1.471 59.649 58.200 -0.037 0.000 0.999 288 S CB -1.007 62.060 63.200 -0.222 0.000 0.905 288 S HN 0.674 nan 8.310 nan 0.000 0.439 289 C N 1.413 120.699 119.300 -0.024 0.000 2.413 289 C HA 0.072 4.532 4.460 -0.001 0.000 0.276 289 C C 2.810 177.846 174.990 0.076 0.000 1.248 289 C CA 1.187 60.214 59.018 0.015 0.000 1.742 289 C CB -1.866 25.852 27.740 -0.036 0.000 2.017 289 C HN 0.728 nan 8.230 nan 0.000 0.481 290 G N 0.418 109.270 108.800 0.087 0.000 2.421 290 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 290 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 290 G C 1.534 176.516 174.900 0.137 0.000 1.171 290 G CA 1.009 46.171 45.100 0.105 0.000 0.775 290 G HN 0.593 nan 8.290 nan 0.000 0.543 291 N N 0.458 119.242 118.700 0.141 0.000 2.120 291 N HA -0.083 4.657 4.740 -0.001 0.000 0.188 291 N C 2.386 177.927 175.510 0.052 0.000 1.024 291 N CA 1.601 54.735 53.050 0.141 0.000 0.852 291 N CB -0.729 37.750 38.487 -0.013 0.000 1.003 291 N HN 0.228 nan 8.380 nan 0.000 0.424 292 T N 1.761 116.364 114.554 0.081 0.000 2.746 292 T HA -0.004 4.346 4.350 -0.001 0.000 0.267 292 T C 2.135 176.908 174.700 0.123 0.000 1.039 292 T CA 0.661 62.829 62.100 0.112 0.000 1.142 292 T CB -0.196 68.811 68.868 0.231 0.000 0.866 292 T HN 0.135 nan 8.240 nan 0.000 0.444 293 L N 0.515 121.794 121.223 0.093 0.000 2.027 293 L HA -0.089 4.251 4.340 -0.001 0.000 0.206 293 L C 2.940 179.898 176.870 0.147 0.000 1.074 293 L CA 1.184 56.068 54.840 0.075 0.000 0.745 293 L CB -0.901 41.159 42.059 0.002 0.000 0.898 293 L HN 0.261 nan 8.230 nan 0.000 0.433 294 T N -1.369 113.292 114.554 0.179 0.000 2.821 294 T HA -0.222 4.128 4.350 -0.001 0.000 0.267 294 T C 1.994 176.888 174.700 0.324 0.000 1.046 294 T CA 1.396 63.639 62.100 0.238 0.000 1.139 294 T CB -0.392 68.657 68.868 0.301 0.000 0.871 294 T HN 0.459 nan 8.240 nan 0.000 0.454 295 C N 0.617 120.135 119.300 0.365 0.000 2.446 295 C HA -0.050 4.409 4.460 -0.001 0.000 0.277 295 C C 2.388 177.527 174.990 0.248 0.000 1.275 295 C CA 0.386 59.605 59.018 0.335 0.000 1.727 295 C CB -1.378 26.423 27.740 0.103 0.000 2.010 295 C HN 0.664 nan 8.230 nan 0.000 0.486 296 Y N 1.021 121.376 120.300 0.092 0.000 2.242 296 Y HA -0.078 4.471 4.550 -0.000 0.000 0.291 296 Y C 2.126 178.048 175.900 0.035 0.000 1.137 296 Y CA 1.976 60.112 58.100 0.060 0.000 1.181 296 Y CB -0.461 38.020 38.460 0.034 0.000 0.989 296 Y HN 0.346 nan 8.280 nan 0.000 0.527 297 L N 1.012 122.311 121.223 0.126 0.000 2.005 297 L HA -0.145 4.194 4.340 -0.001 0.000 0.207 297 L C 2.070 178.867 176.870 -0.122 0.000 1.072 297 L CA 1.951 56.757 54.840 -0.057 0.000 0.744 297 L CB -0.894 41.117 42.059 -0.080 0.000 0.895 297 L HN 0.110 nan 8.230 nan 0.000 0.433 298 K N -0.343 120.053 120.400 -0.007 0.000 2.057 298 K HA -0.051 4.269 4.320 -0.001 0.000 0.206 298 K C 2.092 178.712 176.600 0.033 0.000 1.050 298 K CA 1.333 57.623 56.287 0.004 0.000 0.935 298 K CB -0.415 32.169 32.500 0.139 0.000 0.715 298 K HN 0.490 nan 8.250 nan 0.000 0.439 299 A N 1.011 123.851 122.820 0.034 0.000 1.930 299 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 299 A C 2.205 179.835 177.584 0.076 0.000 1.175 299 A CA 1.663 53.762 52.037 0.103 0.000 0.627 299 A CB -0.469 18.660 19.000 0.216 0.000 0.815 299 A HN 0.155 nan 8.150 nan 0.000 0.443 300 S N 0.013 115.625 115.700 -0.147 0.000 2.356 300 S HA -0.074 4.396 4.470 -0.001 0.000 0.223 300 S C 2.324 176.876 174.600 -0.080 0.000 1.032 300 S CA 1.274 59.350 58.200 -0.207 0.000 1.005 300 S CB -0.492 62.430 63.200 -0.464 0.000 0.867 300 S HN 0.798 nan 8.310 nan 0.000 0.449 301 A N 1.391 124.175 122.820 -0.060 0.000 1.933 301 A HA 0.130 4.449 4.320 -0.001 0.000 0.218 301 A C 2.311 179.956 177.584 0.101 0.000 1.175 301 A CA 1.658 53.715 52.037 0.033 0.000 0.628 301 A CB -0.947 18.075 19.000 0.036 0.000 0.814 301 A HN 0.514 nan 8.150 nan 0.000 0.444 302 A N -1.160 121.735 122.820 0.124 0.000 1.930 302 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 302 A C 2.239 179.877 177.584 0.090 0.000 1.175 302 A CA 1.527 53.520 52.037 -0.075 0.000 0.627 302 A CB -1.168 17.416 19.000 -0.694 0.000 0.815 302 A HN 0.583 nan 8.150 nan 0.000 0.443 303 C N -0.806 118.652 119.300 0.264 0.000 2.425 303 C HA -0.066 4.394 4.460 -0.001 0.000 0.277 303 C C 2.887 177.904 174.990 0.045 0.000 1.280 303 C CA 1.062 60.242 59.018 0.270 0.000 1.744 303 C CB -1.276 26.565 27.740 0.167 0.000 1.989 303 C HN 0.603 nan 8.230 nan 0.000 0.491 304 R N 1.095 121.526 120.500 -0.116 0.000 2.062 304 R HA -0.027 4.313 4.340 -0.001 0.000 0.229 304 R C 2.468 178.545 176.300 -0.371 0.000 1.128 304 R CA 1.454 57.359 56.100 -0.324 0.000 0.960 304 R CB -0.579 29.347 30.300 -0.623 0.000 0.855 304 R HN 0.492 nan 8.270 nan 0.000 0.432 305 A N 1.527 124.139 122.820 -0.347 0.000 1.940 305 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 305 A C 2.274 179.852 177.584 -0.010 0.000 1.176 305 A CA 1.841 53.830 52.037 -0.080 0.000 0.631 305 A CB -0.556 18.450 19.000 0.010 0.000 0.814 305 A HN 0.405 nan 8.150 nan 0.000 0.446 306 A N -1.354 121.474 122.820 0.013 0.000 2.208 306 A HA 0.225 4.545 4.320 -0.001 0.000 0.209 306 A C 0.975 178.579 177.584 0.032 0.000 1.161 306 A CA 0.851 52.920 52.037 0.052 0.000 0.782 306 A CB -0.430 18.657 19.000 0.145 0.000 0.816 306 A HN 0.526 nan 8.150 nan 0.000 0.477 307 K N -1.350 119.055 120.400 0.009 0.000 3.150 307 K HA -0.154 4.166 4.320 -0.001 0.000 0.267 307 K C -1.093 175.514 176.600 0.012 0.000 1.028 307 K CA 0.180 56.471 56.287 0.007 0.000 0.753 307 K CB -1.903 30.607 32.500 0.017 0.000 1.288 307 K HN 0.303 nan 8.250 nan 0.000 0.473 308 L N 1.710 122.945 121.223 0.019 0.000 2.380 308 L HA 0.097 4.437 4.340 -0.001 0.000 0.273 308 L C 0.979 177.852 176.870 0.005 0.000 1.138 308 L CA 0.496 55.347 54.840 0.017 0.000 0.832 308 L CB 0.818 42.897 42.059 0.034 0.000 1.124 308 L HN 0.096 nan 8.230 nan 0.000 0.454 309 Q N 2.321 122.119 119.800 -0.003 0.000 2.267 309 Q HA 0.094 4.434 4.340 -0.001 0.000 0.255 309 Q C -0.145 175.842 176.000 -0.021 0.000 0.923 309 Q CA -0.426 55.370 55.803 -0.011 0.000 0.925 309 Q CB 0.743 29.472 28.738 -0.015 0.000 1.195 309 Q HN 0.531 nan 8.270 nan 0.000 0.417 310 D N 1.106 121.495 120.400 -0.019 0.000 2.802 310 D HA -0.186 4.454 4.640 -0.001 0.000 0.229 310 D C -1.099 175.183 176.300 -0.030 0.000 1.203 310 D CA 0.256 54.242 54.000 -0.024 0.000 0.712 310 D CB -0.876 39.901 40.800 -0.038 0.000 0.973 310 D HN 0.508 nan 8.370 nan 0.000 0.407 311 C N 1.334 120.624 119.300 -0.016 0.000 2.585 311 C HA 0.475 4.935 4.460 -0.001 0.000 0.406 311 C C 0.842 175.829 174.990 -0.005 0.000 1.312 311 C CA -0.066 58.941 59.018 -0.019 0.000 1.924 311 C CB 0.451 28.186 27.740 -0.008 0.000 2.578 311 C HN 0.459 nan 8.230 nan 0.000 0.580 312 T N 6.365 120.908 114.554 -0.018 0.000 2.809 312 T HA 0.490 4.840 4.350 -0.001 0.000 0.284 312 T C -0.296 174.425 174.700 0.034 0.000 0.992 312 T CA -0.261 61.856 62.100 0.029 0.000 0.957 312 T CB 0.860 69.716 68.868 -0.020 0.000 0.942 312 T HN 0.538 nan 8.240 nan 0.000 0.439 313 M N 2.966 122.636 119.600 0.116 0.000 2.644 313 M HA 0.670 5.150 4.480 -0.001 0.000 0.316 313 M C -1.269 175.159 176.300 0.214 0.000 1.200 313 M CA -1.202 54.161 55.300 0.105 0.000 0.944 313 M CB 1.994 34.653 32.600 0.098 0.000 1.691 313 M HN 0.325 nan 8.290 nan 0.000 0.471 314 L N 2.124 123.433 121.223 0.143 0.000 2.491 314 L HA 0.593 4.933 4.340 -0.001 0.000 0.267 314 L C -1.567 175.321 176.870 0.030 0.000 0.971 314 L CA -0.418 54.507 54.840 0.141 0.000 0.857 314 L CB 1.703 43.877 42.059 0.191 0.000 1.226 314 L HN 0.468 nan 8.230 nan 0.000 0.408 315 V N 4.316 124.228 119.914 -0.004 0.000 2.555 315 V HA 0.613 4.732 4.120 -0.001 0.000 0.302 315 V C -0.613 175.319 176.094 -0.271 0.000 1.038 315 V CA -0.605 61.666 62.300 -0.050 0.000 0.887 315 V CB 2.022 33.902 31.823 0.095 0.000 0.991 315 V HN 0.797 nan 8.190 nan 0.000 0.434 316 N N 3.259 121.757 118.700 -0.336 0.000 2.609 316 N HA 0.592 5.332 4.740 -0.001 0.000 0.268 316 N C 0.493 175.884 175.510 -0.197 0.000 1.106 316 N CA 0.557 53.186 53.050 -0.702 0.000 0.823 316 N CB 1.715 39.713 38.487 -0.816 0.000 1.263 316 N HN 1.060 nan 8.380 nan 0.000 0.533 317 G N 2.287 111.140 108.800 0.088 0.000 2.596 317 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.304 317 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.304 317 G C 0.515 175.301 174.900 -0.190 0.000 1.189 317 G CA 0.797 45.939 45.100 0.071 0.000 0.986 317 G HN 0.617 nan 8.290 nan 0.000 0.548 318 D N 1.188 121.412 120.400 -0.294 0.000 2.339 318 D HA 0.096 4.735 4.640 -0.001 0.000 0.217 318 D C 0.329 176.515 176.300 -0.190 0.000 1.050 318 D CA 0.698 54.355 54.000 -0.571 0.000 0.856 318 D CB -0.035 40.440 40.800 -0.542 0.000 0.922 318 D HN 0.434 nan 8.370 nan 0.000 0.518 319 D N 0.834 121.177 120.400 -0.094 0.000 2.280 319 D HA 0.282 4.922 4.640 -0.001 0.000 0.243 319 D C -0.954 175.335 176.300 -0.019 0.000 1.129 319 D CA -0.531 53.455 54.000 -0.025 0.000 0.848 319 D CB 1.367 42.148 40.800 -0.032 0.000 1.107 319 D HN 0.046 nan 8.370 nan 0.000 0.471 320 L N 4.406 125.659 121.223 0.050 0.000 2.365 320 L HA 0.486 4.826 4.340 -0.001 0.000 0.273 320 L C -1.540 175.318 176.870 -0.020 0.000 1.000 320 L CA -0.558 54.311 54.840 0.048 0.000 0.819 320 L CB 2.001 44.150 42.059 0.150 0.000 1.284 320 L HN 0.115 nan 8.230 nan 0.000 0.418 321 V N 5.069 124.934 119.914 -0.081 0.000 2.588 321 V HA 0.647 4.766 4.120 -0.001 0.000 0.304 321 V C -0.780 175.151 176.094 -0.271 0.000 1.042 321 V CA -0.688 61.508 62.300 -0.174 0.000 0.877 321 V CB 1.905 33.674 31.823 -0.090 0.000 0.996 321 V HN 0.527 nan 8.190 nan 0.000 0.425 322 V N 5.992 125.570 119.914 -0.560 0.000 2.483 322 V HA 0.559 4.678 4.120 -0.001 0.000 0.297 322 V C -0.501 175.354 176.094 -0.399 0.000 1.027 322 V CA -0.331 61.624 62.300 -0.574 0.000 0.855 322 V CB 1.930 33.149 31.823 -1.006 0.000 0.995 322 V HN 0.724 nan 8.190 nan 0.000 0.424 323 I N 5.419 125.876 120.570 -0.189 0.000 2.418 323 I HA 0.655 4.825 4.170 -0.001 0.000 0.287 323 I C 0.013 176.061 176.117 -0.114 0.000 1.008 323 I CA -0.300 60.934 61.300 -0.108 0.000 1.104 323 I CB 1.623 39.584 38.000 -0.064 0.000 1.264 323 I HN 0.876 nan 8.210 nan 0.000 0.438 324 C N 2.757 121.990 119.300 -0.111 0.000 3.321 324 C HA 0.580 5.039 4.460 -0.001 0.000 0.363 324 C C -0.547 174.365 174.990 -0.129 0.000 1.705 324 C CA -0.857 58.104 59.018 -0.095 0.000 1.298 324 C CB 1.847 29.567 27.740 -0.035 0.000 2.086 324 C HN 0.590 nan 8.230 nan 0.000 0.438 325 E N 1.879 122.025 120.200 -0.089 0.000 2.194 325 E HA 0.293 4.643 4.350 -0.001 0.000 0.284 325 E C -0.220 176.352 176.600 -0.046 0.000 1.035 325 E CA 0.464 56.811 56.400 -0.088 0.000 0.836 325 E CB 1.697 31.357 29.700 -0.066 0.000 1.070 325 E HN 0.693 nan 8.360 nan 0.000 0.401 326 S N 2.197 117.878 115.700 -0.033 0.000 2.516 326 S HA 0.214 4.684 4.470 -0.001 0.000 0.282 326 S C 0.617 175.230 174.600 0.020 0.000 1.286 326 S CA -0.059 58.166 58.200 0.042 0.000 1.066 326 S CB 0.415 63.703 63.200 0.147 0.000 0.884 326 S HN 0.513 nan 8.310 nan 0.000 0.491 327 A N 4.068 126.903 122.820 0.026 0.000 2.460 327 A HA 0.635 4.955 4.320 -0.001 0.000 0.258 327 A C 0.950 178.541 177.584 0.011 0.000 1.300 327 A CA 0.177 52.219 52.037 0.009 0.000 0.913 327 A CB -0.943 18.061 19.000 0.006 0.000 1.031 327 A HN 1.769 nan 8.150 nan 0.000 0.512 328 G N -2.106 106.708 108.800 0.023 0.000 2.525 328 G HA2 0.135 4.094 3.960 -0.001 0.000 0.685 328 G HA3 0.135 4.094 3.960 -0.001 0.000 0.685 328 G C 0.491 175.414 174.900 0.037 0.000 1.285 328 G CA -0.097 45.005 45.100 0.004 0.000 0.849 328 G HN 1.030 nan 8.290 nan 0.000 0.653 329 V N 0.841 120.751 119.914 -0.007 0.000 2.332 329 V HA -0.160 3.960 4.120 -0.001 0.000 0.248 329 V C 2.511 178.643 176.094 0.063 0.000 1.055 329 V CA 3.100 65.426 62.300 0.044 0.000 1.038 329 V CB -0.229 31.562 31.823 -0.052 0.000 0.651 329 V HN 0.750 nan 8.190 nan 0.000 0.450 330 Q N -0.503 119.312 119.800 0.024 0.000 2.083 330 Q HA -0.127 4.213 4.340 -0.001 0.000 0.198 330 Q C 2.328 178.340 176.000 0.020 0.000 0.969 330 Q CA 1.648 57.462 55.803 0.019 0.000 0.838 330 Q CB -0.434 28.308 28.738 0.006 0.000 0.900 330 Q HN 0.650 nan 8.270 nan 0.000 0.436 331 E N 0.820 121.032 120.200 0.019 0.000 2.106 331 E HA -0.128 4.222 4.350 -0.001 0.000 0.192 331 E C 1.547 178.156 176.600 0.015 0.000 0.984 331 E CA 0.710 57.119 56.400 0.014 0.000 0.806 331 E CB 0.031 29.738 29.700 0.012 0.000 0.750 331 E HN 0.321 nan 8.360 nan 0.000 0.458 332 D N 0.650 121.073 120.400 0.038 0.000 2.084 332 D HA -0.136 4.504 4.640 -0.001 0.000 0.194 332 D C 1.847 178.133 176.300 -0.023 0.000 0.990 332 D CA 1.600 55.614 54.000 0.023 0.000 0.826 332 D CB -0.356 40.506 40.800 0.103 0.000 0.971 332 D HN 0.152 nan 8.370 nan 0.000 0.453 333 A N 0.985 123.808 122.820 0.006 0.000 1.940 333 A HA -0.099 4.221 4.320 -0.001 0.000 0.219 333 A C 2.296 179.862 177.584 -0.030 0.000 1.176 333 A CA 2.429 54.456 52.037 -0.018 0.000 0.631 333 A CB -0.686 18.320 19.000 0.011 0.000 0.814 333 A HN 0.255 nan 8.150 nan 0.000 0.446 334 A N -0.818 121.993 122.820 -0.015 0.000 1.898 334 A HA -0.013 4.306 4.320 -0.001 0.000 0.216 334 A C 2.445 180.018 177.584 -0.018 0.000 1.181 334 A CA 1.898 53.928 52.037 -0.012 0.000 0.620 334 A CB -0.843 18.155 19.000 -0.003 0.000 0.819 334 A HN 0.442 nan 8.150 nan 0.000 0.442 335 S N -0.112 115.572 115.700 -0.025 0.000 2.359 335 S HA -0.118 4.352 4.470 -0.001 0.000 0.224 335 S C 1.860 176.435 174.600 -0.043 0.000 1.035 335 S CA 1.337 59.523 58.200 -0.024 0.000 1.018 335 S CB -0.475 62.706 63.200 -0.031 0.000 0.876 335 S HN 0.495 nan 8.310 nan 0.000 0.448 336 L N 0.924 122.066 121.223 -0.135 0.000 2.042 336 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 336 L C 2.675 179.522 176.870 -0.039 0.000 1.076 336 L CA 1.443 56.144 54.840 -0.233 0.000 0.749 336 L CB -0.312 41.534 42.059 -0.356 0.000 0.893 336 L HN 0.294 nan 8.230 nan 0.000 0.432 337 R N -0.727 119.760 120.500 -0.022 0.000 2.075 337 R HA -0.131 4.208 4.340 -0.001 0.000 0.232 337 R C 2.345 178.660 176.300 0.025 0.000 1.126 337 R CA 1.269 57.376 56.100 0.012 0.000 0.963 337 R CB -0.418 29.881 30.300 -0.002 0.000 0.858 337 R HN 0.368 nan 8.270 nan 0.000 0.435 338 A N 0.757 123.590 122.820 0.022 0.000 1.902 338 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 338 A C 1.960 179.555 177.584 0.019 0.000 1.181 338 A CA 1.072 53.116 52.037 0.011 0.000 0.623 338 A CB -0.637 18.372 19.000 0.016 0.000 0.818 338 A HN 0.359 nan 8.150 nan 0.000 0.443 339 F N 1.473 121.371 119.950 -0.086 0.000 2.095 339 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 339 F C 2.505 178.252 175.800 -0.088 0.000 1.104 339 F CA 2.427 60.373 58.000 -0.090 0.000 1.232 339 F CB -0.661 38.276 39.000 -0.105 0.000 0.987 339 F HN 0.218 nan 8.300 nan 0.000 0.475 340 T N 0.135 114.768 114.554 0.132 0.000 2.746 340 T HA -0.207 4.143 4.350 -0.001 0.000 0.267 340 T C 1.713 176.389 174.700 -0.041 0.000 1.039 340 T CA 1.817 63.992 62.100 0.124 0.000 1.142 340 T CB -0.381 68.620 68.868 0.221 0.000 0.866 340 T HN 0.416 nan 8.240 nan 0.000 0.444 341 E N 1.115 121.275 120.200 -0.067 0.000 2.077 341 E HA -0.062 4.288 4.350 -0.001 0.000 0.193 341 E C 2.605 179.067 176.600 -0.231 0.000 0.989 341 E CA 0.996 57.331 56.400 -0.110 0.000 0.800 341 E CB -0.240 29.411 29.700 -0.081 0.000 0.746 341 E HN 0.491 nan 8.360 nan 0.000 0.452 342 A N 1.453 124.081 122.820 -0.320 0.000 1.877 342 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 342 A C 2.190 179.324 177.584 -0.749 0.000 1.186 342 A CA 1.287 52.987 52.037 -0.561 0.000 0.620 342 A CB -0.356 18.354 19.000 -0.485 0.000 0.822 342 A HN 0.111 nan 8.150 nan 0.000 0.443 343 M N -0.152 119.106 119.600 -0.571 0.000 2.106 343 M HA -0.136 4.344 4.480 -0.001 0.000 0.259 343 M C 2.186 178.379 176.300 -0.178 0.000 1.068 343 M CA 2.132 57.206 55.300 -0.376 0.000 1.100 343 M CB -1.954 30.358 32.600 -0.480 0.000 1.351 343 M HN 0.475 nan 8.290 nan 0.000 0.404 344 T N 0.024 114.486 114.554 -0.153 0.000 2.746 344 T HA -0.127 4.223 4.350 -0.001 0.000 0.267 344 T C 1.930 176.559 174.700 -0.119 0.000 1.039 344 T CA 1.135 63.189 62.100 -0.077 0.000 1.142 344 T CB -0.207 68.626 68.868 -0.058 0.000 0.866 344 T HN 0.397 nan 8.240 nan 0.000 0.444 345 R N 0.026 120.381 120.500 -0.241 0.000 2.152 345 R HA -0.042 4.297 4.340 -0.001 0.000 0.232 345 R C 1.424 177.649 176.300 -0.126 0.000 1.117 345 R CA 0.976 56.940 56.100 -0.227 0.000 0.981 345 R CB -0.242 29.860 30.300 -0.330 0.000 0.870 345 R HN 0.441 nan 8.270 nan 0.000 0.451 346 Y N 0.121 120.349 120.300 -0.121 0.000 2.477 346 Y HA 0.107 4.657 4.550 -0.000 0.000 0.303 346 Y C 0.877 176.710 175.900 -0.112 0.000 1.202 346 Y CA -0.519 57.494 58.100 -0.144 0.000 1.282 346 Y CB -0.223 38.172 38.460 -0.107 0.000 1.071 346 Y HN -0.043 nan 8.280 nan 0.000 0.510 347 S N -0.106 115.620 115.700 0.043 0.000 3.929 347 S HA -0.126 4.344 4.470 -0.001 0.000 0.351 347 S C 0.031 174.645 174.600 0.023 0.000 1.021 347 S CA 0.508 58.722 58.200 0.024 0.000 1.049 347 S CB -1.414 61.784 63.200 -0.003 0.000 0.872 347 S HN 0.726 nan 8.310 nan 0.000 0.479 348 A N 1.450 124.302 122.820 0.054 0.000 3.415 348 A HA 0.564 4.884 4.320 -0.001 0.000 0.244 348 A C -2.192 175.511 177.584 0.199 0.000 0.988 348 A CA -0.596 51.502 52.037 0.102 0.000 0.991 348 A CB 0.857 19.940 19.000 0.138 0.000 1.240 348 A HN 0.456 nan 8.150 nan 0.000 0.541 349 P HA 0.259 nan 4.420 nan 0.000 0.272 349 P C -2.922 174.472 177.300 0.156 0.000 1.230 349 P CA -0.924 62.253 63.100 0.127 0.000 0.788 349 P CB 0.520 32.229 31.700 0.015 0.000 0.949 350 P HA 0.109 nan 4.420 nan 0.000 0.284 350 P C 0.811 178.053 177.300 -0.096 0.000 1.253 350 P CA -0.005 63.007 63.100 -0.147 0.000 0.800 350 P CB 0.915 32.475 31.700 -0.233 0.000 0.961 351 G N 2.279 111.013 108.800 -0.110 0.000 2.411 351 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.213 351 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.213 351 G C 0.040 174.900 174.900 -0.067 0.000 1.166 351 G CA 0.351 45.415 45.100 -0.059 0.000 0.802 351 G HN 0.477 nan 8.290 nan 0.000 0.533 352 D N 0.219 120.561 120.400 -0.096 0.000 2.649 352 D HA 0.353 4.992 4.640 -0.001 0.000 0.249 352 D C -2.787 173.463 176.300 -0.084 0.000 1.112 352 D CA -1.249 52.708 54.000 -0.071 0.000 0.850 352 D CB 2.158 42.927 40.800 -0.052 0.000 1.399 352 D HN -0.118 nan 8.370 nan 0.000 0.503 353 P HA 0.072 nan 4.420 nan 0.000 0.260 353 P C -2.260 175.033 177.300 -0.012 0.000 1.185 353 P CA -0.562 62.525 63.100 -0.023 0.000 0.763 353 P CB -0.172 31.522 31.700 -0.011 0.000 0.776 354 P HA 0.097 nan 4.420 nan 0.000 0.276 354 P C -0.811 176.491 177.300 0.004 0.000 1.230 354 P CA 0.048 63.185 63.100 0.062 0.000 0.776 354 P CB 1.027 32.841 31.700 0.189 0.000 0.888 355 Q N 3.466 123.282 119.800 0.027 0.000 2.353 355 Q HA 0.422 4.761 4.340 -0.001 0.000 0.268 355 Q C -2.320 173.681 176.000 0.001 0.000 1.045 355 Q CA -2.209 53.592 55.803 -0.003 0.000 0.811 355 Q CB 2.394 31.139 28.738 0.012 0.000 1.305 355 Q HN 0.411 nan 8.270 nan 0.000 0.447 356 P HA 0.086 nan 4.420 nan 0.000 0.276 356 P C -0.866 176.306 177.300 -0.213 0.000 1.230 356 P CA -0.043 62.975 63.100 -0.137 0.000 0.776 356 P CB 1.133 32.721 31.700 -0.187 0.000 0.888 357 E N 2.200 122.248 120.200 -0.255 0.000 2.256 357 E HA 0.246 4.595 4.350 -0.001 0.000 0.267 357 E C -0.557 175.871 176.600 -0.285 0.000 0.892 357 E CA -0.516 55.772 56.400 -0.186 0.000 0.775 357 E CB 1.436 31.117 29.700 -0.031 0.000 1.207 357 E HN 0.447 nan 8.360 nan 0.000 0.420 358 Y N -0.286 120.164 120.300 0.250 0.000 2.612 358 Y HA 0.186 4.736 4.550 -0.001 0.000 0.250 358 Y C 0.192 176.347 175.900 0.425 0.000 1.175 358 Y CA -0.338 57.988 58.100 0.376 0.000 1.205 358 Y CB 1.117 39.691 38.460 0.190 0.000 1.201 358 Y HN 0.253 nan 8.280 nan 0.000 0.532 359 D N 0.747 121.276 120.400 0.215 0.000 2.473 359 D HA 0.096 4.735 4.640 -0.001 0.000 0.253 359 D C 0.849 176.868 176.300 -0.468 0.000 1.233 359 D CA -0.172 53.784 54.000 -0.074 0.000 0.908 359 D CB 1.623 42.420 40.800 -0.006 0.000 1.170 359 D HN 0.146 nan 8.370 nan 0.000 0.558 360 L N 4.737 125.284 121.223 -1.128 0.000 2.010 360 L HA -0.217 4.123 4.340 -0.001 0.000 0.219 360 L C 1.776 178.326 176.870 -0.533 0.000 1.077 360 L CA 2.126 56.267 54.840 -1.166 0.000 0.773 360 L CB -0.519 40.716 42.059 -1.373 0.000 0.892 360 L HN 0.526 nan 8.230 nan 0.000 0.436 361 E N -0.889 119.083 120.200 -0.380 0.000 2.273 361 E HA -0.220 4.129 4.350 -0.001 0.000 0.198 361 E C 1.994 178.497 176.600 -0.162 0.000 1.002 361 E CA 1.097 57.365 56.400 -0.220 0.000 0.828 361 E CB -0.251 29.364 29.700 -0.141 0.000 0.747 361 E HN 0.555 nan 8.360 nan 0.000 0.491 362 L N 0.733 121.859 121.223 -0.161 0.000 2.591 362 L HA 0.152 4.492 4.340 -0.001 0.000 0.228 362 L C 0.609 177.427 176.870 -0.086 0.000 1.133 362 L CA -0.087 54.696 54.840 -0.094 0.000 0.880 362 L CB 0.145 42.171 42.059 -0.054 0.000 1.033 362 L HN 0.035 nan 8.230 nan 0.000 0.450 363 I N 0.032 120.526 120.570 -0.126 0.000 2.315 363 I HA 0.135 4.305 4.170 -0.001 0.000 0.291 363 I C -0.075 175.997 176.117 -0.074 0.000 1.006 363 I CA 0.099 61.346 61.300 -0.090 0.000 1.265 363 I CB 1.480 39.413 38.000 -0.112 0.000 1.387 363 I HN -0.111 nan 8.210 nan 0.000 0.475 364 T N 4.915 119.445 114.554 -0.041 0.000 2.772 364 T HA 0.427 4.777 4.350 -0.001 0.000 0.288 364 T C -0.258 174.435 174.700 -0.010 0.000 0.994 364 T CA -0.630 61.455 62.100 -0.026 0.000 0.951 364 T CB 0.979 69.836 68.868 -0.019 0.000 0.933 364 T HN 0.703 nan 8.240 nan 0.000 0.447 365 S N 0.921 116.618 115.700 -0.005 0.000 2.538 365 S HA 0.470 4.940 4.470 -0.001 0.000 0.288 365 S C 0.267 174.885 174.600 0.029 0.000 1.108 365 S CA -0.757 57.444 58.200 0.003 0.000 0.971 365 S CB 0.825 64.013 63.200 -0.020 0.000 1.041 365 S HN 0.886 nan 8.310 nan 0.000 0.483 366 C N 2.044 121.367 119.300 0.038 0.000 4.432 366 C HA -0.181 4.278 4.460 -0.001 0.000 0.294 366 C C 1.383 176.442 174.990 0.114 0.000 1.398 366 C CA 0.742 59.806 59.018 0.077 0.000 1.988 366 C CB -3.185 24.604 27.740 0.081 0.000 1.251 366 C HN 1.640 nan 8.230 nan 0.000 0.791 367 S N -1.898 113.849 115.700 0.078 0.000 3.270 367 S HA -0.203 4.267 4.470 -0.001 0.000 0.293 367 S C 0.328 174.963 174.600 0.060 0.000 1.278 367 S CA 1.354 59.593 58.200 0.065 0.000 1.038 367 S CB -0.895 62.357 63.200 0.087 0.000 1.218 367 S HN 1.000 nan 8.310 nan 0.000 0.659 368 S N 1.938 117.688 115.700 0.083 0.000 2.715 368 S HA 0.821 5.290 4.470 -0.001 0.000 0.307 368 S C -0.295 174.320 174.600 0.026 0.000 1.119 368 S CA -0.768 57.486 58.200 0.090 0.000 0.937 368 S CB 1.697 65.031 63.200 0.223 0.000 1.150 368 S HN 0.628 nan 8.310 nan 0.000 0.521 369 N N -0.947 117.753 118.700 0.001 0.000 2.598 369 N HA 0.303 5.043 4.740 -0.001 0.000 0.263 369 N C -1.664 173.780 175.510 -0.110 0.000 1.254 369 N CA -0.546 52.467 53.050 -0.062 0.000 0.863 369 N CB 0.858 39.299 38.487 -0.076 0.000 1.586 369 N HN 0.329 nan 8.380 nan 0.000 0.491 370 V N 0.463 120.284 119.914 -0.154 0.000 2.775 370 V HA 0.483 4.602 4.120 -0.001 0.000 0.299 370 V C 0.525 176.486 176.094 -0.222 0.000 1.062 370 V CA 0.131 62.315 62.300 -0.194 0.000 1.063 370 V CB 1.049 32.744 31.823 -0.213 0.000 0.994 370 V HN 0.859 nan 8.190 nan 0.000 0.483 371 S N 2.342 117.848 115.700 -0.323 0.000 2.671 371 S HA 0.783 5.253 4.470 -0.001 0.000 0.277 371 S C -1.454 173.049 174.600 -0.161 0.000 1.165 371 S CA -0.429 57.598 58.200 -0.288 0.000 0.822 371 S CB 2.037 64.981 63.200 -0.427 0.000 1.150 371 S HN 0.650 nan 8.310 nan 0.000 0.479 372 V N 1.089 121.009 119.914 0.011 0.000 2.925 372 V HA 0.991 5.111 4.120 -0.001 0.000 0.311 372 V C -0.279 175.797 176.094 -0.030 0.000 1.104 372 V CA 0.329 62.600 62.300 -0.048 0.000 0.954 372 V CB 1.410 33.045 31.823 -0.312 0.000 1.022 372 V HN 1.327 nan 8.190 nan 0.000 0.427 373 A N 4.394 127.055 122.820 -0.266 0.000 2.566 373 A HA 0.879 5.199 4.320 -0.001 0.000 0.291 373 A C -1.325 175.789 177.584 -0.784 0.000 1.278 373 A CA -0.558 51.164 52.037 -0.524 0.000 0.711 373 A CB 1.709 20.229 19.000 -0.800 0.000 1.332 373 A HN 0.902 nan 8.150 nan 0.000 0.478 374 H N 0.515 119.218 119.070 -0.612 0.000 2.600 374 H HA 0.396 4.952 4.556 -0.001 0.000 0.357 374 H C -1.170 173.774 175.328 -0.641 0.000 1.106 374 H CA -0.358 55.327 56.048 -0.604 0.000 1.193 374 H CB 1.791 31.154 29.762 -0.664 0.000 1.594 374 H HN 0.898 nan 8.280 nan 0.000 0.526 375 D N 0.920 121.193 120.400 -0.212 0.000 2.478 375 D HA 0.247 4.887 4.640 -0.001 0.000 0.269 375 D C 1.425 177.764 176.300 0.065 0.000 1.232 375 D CA -0.406 53.541 54.000 -0.090 0.000 1.059 375 D CB 0.440 41.206 40.800 -0.057 0.000 1.104 375 D HN 0.418 nan 8.370 nan 0.000 0.566 376 A N -0.196 122.681 122.820 0.094 0.000 1.917 376 A HA -0.204 4.116 4.320 -0.001 0.000 0.219 376 A C 2.102 179.746 177.584 0.099 0.000 1.182 376 A CA 2.148 54.255 52.037 0.116 0.000 0.633 376 A CB -1.204 17.838 19.000 0.071 0.000 0.819 376 A HN 0.477 nan 8.150 nan 0.000 0.448 377 S N -1.733 114.006 115.700 0.065 0.000 2.555 377 S HA 0.290 4.760 4.470 -0.001 0.000 0.230 377 S C 1.529 176.166 174.600 0.062 0.000 0.978 377 S CA 1.091 59.322 58.200 0.050 0.000 0.934 377 S CB -0.196 63.023 63.200 0.032 0.000 0.766 377 S HN 1.712 nan 8.310 nan 0.000 0.533 378 G N 1.649 110.508 108.800 0.098 0.000 2.179 378 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.260 378 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.260 378 G C 0.108 175.088 174.900 0.134 0.000 0.977 378 G CA 0.350 45.511 45.100 0.101 0.000 0.641 378 G HN 0.520 nan 8.290 nan 0.000 0.533 379 K N 0.750 121.194 120.400 0.073 0.000 2.295 379 K HA 0.392 4.712 4.320 -0.001 0.000 0.270 379 K C 0.771 177.351 176.600 -0.034 0.000 1.011 379 K CA -0.641 55.670 56.287 0.040 0.000 0.953 379 K CB 0.281 32.779 32.500 -0.002 0.000 0.956 379 K HN 0.276 nan 8.250 nan 0.000 0.477 380 R N 1.881 122.313 120.500 -0.113 0.000 2.449 380 R HA 0.105 4.445 4.340 -0.001 0.000 0.296 380 R C -0.669 175.386 176.300 -0.409 0.000 1.047 380 R CA -0.147 55.714 56.100 -0.398 0.000 1.018 380 R CB 0.971 31.058 30.300 -0.354 0.000 0.962 380 R HN 0.349 nan 8.270 nan 0.000 0.428 381 V N 5.493 125.109 119.914 -0.497 0.000 2.623 381 V HA 0.353 4.473 4.120 -0.001 0.000 0.304 381 V C -1.393 174.512 176.094 -0.314 0.000 1.054 381 V CA -0.768 61.326 62.300 -0.343 0.000 0.882 381 V CB 1.269 32.974 31.823 -0.197 0.000 1.002 381 V HN 0.606 nan 8.190 nan 0.000 0.424 382 Y N 7.161 127.457 120.300 -0.006 0.000 2.304 382 Y HA 0.692 5.241 4.550 -0.000 0.000 0.327 382 Y C 0.077 176.054 175.900 0.129 0.000 1.209 382 Y CA 0.184 58.296 58.100 0.019 0.000 1.299 382 Y CB 1.185 39.611 38.460 -0.056 0.000 1.249 382 Y HN 0.828 nan 8.280 nan 0.000 0.519 383 Y N -0.190 120.172 120.300 0.103 0.000 2.624 383 Y HA 0.597 5.146 4.550 -0.000 0.000 0.334 383 Y C -2.219 173.742 175.900 0.100 0.000 1.155 383 Y CA -1.974 56.168 58.100 0.071 0.000 1.046 383 Y CB 0.490 38.962 38.460 0.019 0.000 1.316 383 Y HN 0.459 nan 8.280 nan 0.000 0.457 384 L N 2.574 123.866 121.223 0.114 0.000 2.290 384 L HA 0.707 5.047 4.340 -0.001 0.000 0.284 384 L C 0.127 177.165 176.870 0.279 0.000 1.078 384 L CA 0.646 55.553 54.840 0.111 0.000 0.815 384 L CB 1.050 43.228 42.059 0.199 0.000 1.162 384 L HN 1.026 nan 8.230 nan 0.000 0.435 385 T N 4.644 119.269 114.554 0.120 0.000 2.716 385 T HA 0.892 5.242 4.350 -0.001 0.000 0.286 385 T C -1.005 173.720 174.700 0.042 0.000 1.052 385 T CA -0.542 61.666 62.100 0.181 0.000 1.024 385 T CB 1.164 70.132 68.868 0.168 0.000 1.349 385 T HN 0.842 nan 8.240 nan 0.000 0.525 386 R N 0.306 120.807 120.500 0.002 0.000 2.764 386 R HA 0.431 4.771 4.340 -0.001 0.000 0.276 386 R C -1.666 174.455 176.300 -0.300 0.000 1.021 386 R CA -0.992 55.014 56.100 -0.157 0.000 0.870 386 R CB 0.204 30.348 30.300 -0.261 0.000 1.293 386 R HN 0.511 nan 8.270 nan 0.000 0.469 387 D N 1.687 121.913 120.400 -0.290 0.000 2.401 387 D HA 0.085 4.724 4.640 -0.001 0.000 0.254 387 D C -1.352 174.590 176.300 -0.596 0.000 1.192 387 D CA -1.548 52.244 54.000 -0.345 0.000 0.885 387 D CB 1.389 42.071 40.800 -0.198 0.000 1.147 387 D HN 0.339 nan 8.370 nan 0.000 0.478 388 P HA -0.049 nan 4.420 nan 0.000 0.241 388 P C 1.235 178.243 177.300 -0.487 0.000 1.191 388 P CA 0.283 62.744 63.100 -1.066 0.000 0.771 388 P CB 0.367 31.362 31.700 -1.175 0.000 0.929 389 T N 0.411 114.788 114.554 -0.295 0.000 2.570 389 T HA -0.168 4.182 4.350 -0.001 0.000 0.266 389 T C 1.842 176.501 174.700 -0.069 0.000 1.071 389 T CA 2.707 64.731 62.100 -0.128 0.000 1.172 389 T CB -1.267 67.560 68.868 -0.067 0.000 0.864 389 T HN 0.206 nan 8.240 nan 0.000 0.421 390 T N 2.161 116.682 114.554 -0.054 0.000 2.708 390 T HA -0.057 4.292 4.350 -0.001 0.000 0.266 390 T C -0.534 174.155 174.700 -0.018 0.000 1.037 390 T CA 1.313 63.419 62.100 0.009 0.000 1.146 390 T CB -1.192 67.721 68.868 0.075 0.000 0.865 390 T HN 0.342 nan 8.240 nan 0.000 0.435 391 P HA 0.020 nan 4.420 nan 0.000 0.216 391 P C 1.461 178.812 177.300 0.086 0.000 1.150 391 P CA 0.886 64.003 63.100 0.028 0.000 0.837 391 P CB -0.147 31.535 31.700 -0.030 0.000 0.786 392 L N -1.592 119.641 121.223 0.016 0.000 2.156 392 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 392 L C 2.395 179.323 176.870 0.097 0.000 1.095 392 L CA 1.157 56.038 54.840 0.069 0.000 0.770 392 L CB -0.978 41.086 42.059 0.008 0.000 0.914 392 L HN -0.050 nan 8.230 nan 0.000 0.439 393 A N 0.362 123.227 122.820 0.074 0.000 1.898 393 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 393 A C 2.374 180.038 177.584 0.135 0.000 1.181 393 A CA 1.297 53.394 52.037 0.100 0.000 0.620 393 A CB -0.374 18.665 19.000 0.065 0.000 0.819 393 A HN 0.306 nan 8.150 nan 0.000 0.442 394 R N -0.539 120.017 120.500 0.094 0.000 2.115 394 R HA 0.005 4.345 4.340 -0.001 0.000 0.230 394 R C 2.405 178.865 176.300 0.266 0.000 1.111 394 R CA 1.013 57.182 56.100 0.115 0.000 0.976 394 R CB -0.405 29.907 30.300 0.020 0.000 0.870 394 R HN 0.498 nan 8.270 nan 0.000 0.445 395 A N 1.308 124.309 122.820 0.302 0.000 1.972 395 A HA -0.090 4.230 4.320 -0.001 0.000 0.219 395 A C 2.337 180.175 177.584 0.425 0.000 1.169 395 A CA 1.602 53.934 52.037 0.492 0.000 0.635 395 A CB -0.482 18.830 19.000 0.521 0.000 0.810 395 A HN 0.382 nan 8.150 nan 0.000 0.446 396 A N -1.293 121.679 122.820 0.253 0.000 1.873 396 A HA -0.158 4.162 4.320 -0.001 0.000 0.215 396 A C 2.098 179.797 177.584 0.192 0.000 1.186 396 A CA 1.318 53.450 52.037 0.159 0.000 0.616 396 A CB -0.848 18.225 19.000 0.122 0.000 0.823 396 A HN 0.813 nan 8.150 nan 0.000 0.442 397 W N 1.111 122.454 121.300 0.072 0.000 2.358 397 W HA -0.145 4.515 4.660 -0.000 0.000 0.303 397 W C 1.559 178.123 176.519 0.076 0.000 1.208 397 W CA 1.930 59.302 57.345 0.045 0.000 1.274 397 W CB -0.316 29.154 29.460 0.016 0.000 1.138 397 W HN 0.545 nan 8.180 nan 0.000 0.515 398 E N -0.863 119.607 120.200 0.451 0.000 2.478 398 E HA -0.116 4.233 4.350 -0.001 0.000 0.198 398 E C 1.908 178.701 176.600 0.320 0.000 1.046 398 E CA 1.217 57.856 56.400 0.399 0.000 0.870 398 E CB -0.050 29.941 29.700 0.484 0.000 0.818 398 E HN 0.072 nan 8.360 nan 0.000 0.527 399 T N 0.026 114.736 114.554 0.261 0.000 2.942 399 T HA -0.007 4.343 4.350 -0.001 0.000 0.265 399 T C 1.638 176.322 174.700 -0.026 0.000 1.062 399 T CA 1.157 63.340 62.100 0.139 0.000 1.139 399 T CB 0.150 69.092 68.868 0.123 0.000 0.883 399 T HN 0.201 nan 8.240 nan 0.000 0.468 400 A N 0.286 123.049 122.820 -0.094 0.000 2.431 400 A HA 0.393 4.713 4.320 -0.001 0.000 0.239 400 A C 0.639 178.086 177.584 -0.228 0.000 1.230 400 A CA -0.208 51.719 52.037 -0.184 0.000 0.928 400 A CB 0.516 19.375 19.000 -0.234 0.000 1.006 400 A HN 0.079 nan 8.150 nan 0.000 0.520 401 R N 0.537 120.925 120.500 -0.187 0.000 2.510 401 R HA 0.277 4.616 4.340 -0.001 0.000 0.287 401 R C -1.743 174.549 176.300 -0.014 0.000 1.084 401 R CA -0.442 55.593 56.100 -0.109 0.000 0.934 401 R CB 0.751 31.030 30.300 -0.035 0.000 1.201 401 R HN 0.517 nan 8.270 nan 0.000 0.431 402 H N 0.866 120.020 119.070 0.139 0.000 2.764 402 H HA 0.200 4.755 4.556 -0.001 0.000 0.341 402 H C 0.742 176.156 175.328 0.143 0.000 1.072 402 H CA 0.768 56.905 56.048 0.150 0.000 1.444 402 H CB 0.885 30.710 29.762 0.104 0.000 1.458 402 H HN 0.545 nan 8.280 nan 0.000 0.572 403 T N -0.170 114.531 114.554 0.244 0.000 2.916 403 T HA 0.261 4.611 4.350 -0.001 0.000 0.292 403 T C -1.792 172.961 174.700 0.088 0.000 1.064 403 T CA -2.111 60.077 62.100 0.147 0.000 1.011 403 T CB 1.622 70.563 68.868 0.122 0.000 1.152 403 T HN 0.245 nan 8.240 nan 0.000 0.510 404 P HA 0.077 nan 4.420 nan 0.000 0.216 404 P C -0.112 177.197 177.300 0.015 0.000 1.150 404 P CA 0.484 63.589 63.100 0.008 0.000 0.837 404 P CB 0.119 31.803 31.700 -0.026 0.000 0.786 405 V N 1.018 120.929 119.914 -0.005 0.000 2.448 405 V HA 0.213 4.333 4.120 -0.001 0.000 0.295 405 V C -0.162 175.901 176.094 -0.051 0.000 1.025 405 V CA -0.778 61.501 62.300 -0.035 0.000 0.859 405 V CB 1.640 33.435 31.823 -0.046 0.000 0.988 405 V HN -0.008 nan 8.190 nan 0.000 0.431 406 N N 3.157 121.777 118.700 -0.133 0.000 2.645 406 N HA 0.068 4.807 4.740 -0.001 0.000 0.233 406 N C 1.372 176.659 175.510 -0.372 0.000 1.058 406 N CA 0.185 53.073 53.050 -0.269 0.000 0.942 406 N CB 1.612 39.805 38.487 -0.491 0.000 1.210 406 N HN 0.828 nan 8.380 nan 0.000 0.512 407 S N 2.211 117.818 115.700 -0.156 0.000 2.383 407 S HA -0.136 4.333 4.470 -0.001 0.000 0.229 407 S C 1.881 176.436 174.600 -0.076 0.000 1.030 407 S CA 0.431 58.583 58.200 -0.081 0.000 1.002 407 S CB -0.443 62.767 63.200 0.016 0.000 0.829 407 S HN 0.784 nan 8.310 nan 0.000 0.467 408 W N 1.426 122.651 121.300 -0.124 0.000 2.342 408 W HA -0.049 4.611 4.660 -0.001 0.000 0.297 408 W C 1.762 178.211 176.519 -0.116 0.000 1.213 408 W CA 0.603 57.837 57.345 -0.185 0.000 1.251 408 W CB -1.121 27.883 29.460 -0.760 0.000 1.136 408 W HN 0.377 nan 8.180 nan 0.000 0.526 409 L N 2.916 123.468 121.223 -1.117 0.000 2.027 409 L HA 0.139 4.479 4.340 -0.001 0.000 0.206 409 L C 2.677 179.347 176.870 -0.333 0.000 1.074 409 L CA 2.927 57.198 54.840 -0.949 0.000 0.745 409 L CB -1.428 39.875 42.059 -1.261 0.000 0.898 409 L HN 0.045 nan 8.230 nan 0.000 0.433 410 G N -0.705 107.925 108.800 -0.284 0.000 2.422 410 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.218 410 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.218 410 G C 1.466 176.362 174.900 -0.008 0.000 1.146 410 G CA 0.762 45.780 45.100 -0.138 0.000 0.769 410 G HN 0.448 nan 8.290 nan 0.000 0.547 411 N N 0.561 119.317 118.700 0.093 0.000 2.188 411 N HA -0.005 4.735 4.740 -0.001 0.000 0.184 411 N C 2.242 177.885 175.510 0.223 0.000 1.018 411 N CA 0.594 53.819 53.050 0.291 0.000 0.858 411 N CB -0.147 38.602 38.487 0.437 0.000 0.989 411 N HN 0.327 nan 8.380 nan 0.000 0.426 412 I N 0.926 121.595 120.570 0.164 0.000 2.286 412 I HA -0.207 3.963 4.170 -0.001 0.000 0.248 412 I C 1.972 178.141 176.117 0.086 0.000 1.115 412 I CA 0.875 62.257 61.300 0.137 0.000 1.392 412 I CB -0.128 38.020 38.000 0.248 0.000 1.065 412 I HN 0.051 nan 8.210 nan 0.000 0.418 413 I N -0.112 120.507 120.570 0.082 0.000 2.286 413 I HA -0.265 3.904 4.170 -0.001 0.000 0.245 413 I C 2.450 178.656 176.117 0.149 0.000 1.104 413 I CA 1.097 62.469 61.300 0.120 0.000 1.397 413 I CB -0.189 37.862 38.000 0.084 0.000 1.072 413 I HN 0.209 nan 8.210 nan 0.000 0.417 414 M N -0.633 118.965 119.600 -0.002 0.000 2.288 414 M HA -0.080 4.400 4.480 -0.001 0.000 0.266 414 M C 0.812 176.892 176.300 -0.366 0.000 1.072 414 M CA 1.623 56.802 55.300 -0.202 0.000 1.132 414 M CB -0.587 31.741 32.600 -0.453 0.000 1.386 414 M HN 0.186 nan 8.290 nan 0.000 0.432 415 Y N -0.844 119.450 120.300 -0.010 0.000 2.713 415 Y HA 0.500 5.050 4.550 -0.001 0.000 0.269 415 Y C 1.652 177.302 175.900 -0.416 0.000 1.106 415 Y CA -0.478 57.506 58.100 -0.192 0.000 1.174 415 Y CB -0.892 37.428 38.460 -0.233 0.000 1.186 415 Y HN 0.128 nan 8.280 nan 0.000 0.555 416 A N 0.798 123.421 122.820 -0.328 0.000 1.986 416 A HA -0.145 4.175 4.320 -0.001 0.000 0.220 416 A C -0.516 176.820 177.584 -0.414 0.000 1.171 416 A CA 1.651 53.479 52.037 -0.349 0.000 0.640 416 A CB -1.217 17.596 19.000 -0.312 0.000 0.811 416 A HN 0.290 nan 8.150 nan 0.000 0.451 417 P HA 0.019 nan 4.420 nan 0.000 0.236 417 P C 0.742 177.808 177.300 -0.390 0.000 1.177 417 P CA 1.186 64.037 63.100 -0.414 0.000 0.773 417 P CB -0.283 31.193 31.700 -0.372 0.000 0.878 418 T N -2.489 111.846 114.554 -0.365 0.000 2.860 418 T HA 0.097 4.447 4.350 -0.001 0.000 0.299 418 T C 1.104 175.429 174.700 -0.624 0.000 1.045 418 T CA -0.605 61.235 62.100 -0.433 0.000 1.071 418 T CB 0.505 68.918 68.868 -0.758 0.000 0.985 418 T HN -0.176 nan 8.240 nan 0.000 0.537 419 L N 1.688 122.446 121.223 -0.775 0.000 2.027 419 L HA 0.076 4.416 4.340 -0.001 0.000 0.206 419 L C 2.427 179.009 176.870 -0.480 0.000 1.074 419 L CA 1.494 55.851 54.840 -0.805 0.000 0.745 419 L CB -1.056 40.389 42.059 -1.023 0.000 0.898 419 L HN 0.916 nan 8.230 nan 0.000 0.433 420 W N -0.474 120.637 121.300 -0.316 0.000 2.388 420 W HA 0.021 4.681 4.660 -0.000 0.000 0.294 420 W C 1.992 178.401 176.519 -0.184 0.000 1.212 420 W CA 0.884 58.084 57.345 -0.241 0.000 1.271 420 W CB -1.461 27.892 29.460 -0.177 0.000 1.126 420 W HN 0.329 nan 8.180 nan 0.000 0.535 421 A N 1.847 124.247 122.820 -0.700 0.000 1.898 421 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 421 A C 2.268 179.734 177.584 -0.198 0.000 1.181 421 A CA 1.801 53.576 52.037 -0.437 0.000 0.620 421 A CB -0.761 17.816 19.000 -0.705 0.000 0.819 421 A HN 0.290 nan 8.150 nan 0.000 0.442 422 R N -1.291 119.029 120.500 -0.301 0.000 2.062 422 R HA -0.015 4.325 4.340 -0.001 0.000 0.231 422 R C 2.419 178.638 176.300 -0.136 0.000 1.136 422 R CA 1.588 57.573 56.100 -0.192 0.000 0.948 422 R CB -0.433 29.658 30.300 -0.348 0.000 0.845 422 R HN 0.633 nan 8.270 nan 0.000 0.430 423 M N 0.441 119.781 119.600 -0.433 0.000 2.086 423 M HA -0.155 4.324 4.480 -0.001 0.000 0.261 423 M C 1.694 177.813 176.300 -0.302 0.000 1.067 423 M CA 1.886 56.932 55.300 -0.424 0.000 1.116 423 M CB 0.132 32.441 32.600 -0.484 0.000 1.348 423 M HN 0.118 nan 8.290 nan 0.000 0.407 424 I N -0.964 119.313 120.570 -0.488 0.000 2.962 424 I HA -0.126 4.044 4.170 -0.001 0.000 0.246 424 I C 2.121 178.048 176.117 -0.318 0.000 1.091 424 I CA 0.211 60.971 61.300 -0.900 0.000 1.469 424 I CB -0.435 37.108 38.000 -0.761 0.000 1.324 424 I HN 0.219 nan 8.210 nan 0.000 0.461 425 L N 0.417 121.657 121.223 0.029 0.000 1.989 425 L HA -0.250 4.090 4.340 -0.001 0.000 0.211 425 L C 2.719 179.877 176.870 0.480 0.000 1.071 425 L CA 1.807 56.858 54.840 0.351 0.000 0.749 425 L CB -0.492 41.806 42.059 0.399 0.000 0.890 425 L HN 0.300 nan 8.230 nan 0.000 0.431 426 M N -1.023 118.826 119.600 0.416 0.000 2.086 426 M HA -0.179 4.301 4.480 -0.001 0.000 0.261 426 M C 2.319 179.107 176.300 0.812 0.000 1.067 426 M CA 2.036 57.691 55.300 0.592 0.000 1.116 426 M CB -0.571 32.213 32.600 0.308 0.000 1.348 426 M HN 0.260 nan 8.290 nan 0.000 0.407 427 T N -1.294 113.683 114.554 0.705 0.000 2.674 427 T HA -0.223 4.126 4.350 -0.001 0.000 0.265 427 T C 1.639 176.593 174.700 0.422 0.000 1.039 427 T CA 1.907 64.350 62.100 0.571 0.000 1.150 427 T CB -0.542 68.694 68.868 0.612 0.000 0.864 427 T HN 0.457 nan 8.240 nan 0.000 0.427 428 H N 0.494 119.708 119.070 0.240 0.000 2.270 428 H HA -0.031 4.525 4.556 -0.000 0.000 0.299 428 H C 1.754 176.954 175.328 -0.214 0.000 1.077 428 H CA 1.683 57.759 56.048 0.047 0.000 1.294 428 H CB -0.570 29.085 29.762 -0.177 0.000 1.371 428 H HN 0.354 nan 8.280 nan 0.000 0.491 429 F N -1.210 118.656 119.950 -0.140 0.000 2.407 429 F HA -0.006 4.520 4.527 -0.001 0.000 0.299 429 F C 1.891 177.487 175.800 -0.339 0.000 1.097 429 F CA 0.451 58.138 58.000 -0.522 0.000 1.422 429 F CB -0.370 37.919 39.000 -1.186 0.000 1.067 429 F HN 0.155 nan 8.300 nan 0.000 0.539 430 F N -0.658 119.352 119.950 0.100 0.000 2.293 430 F HA -0.138 4.389 4.527 -0.001 0.000 0.297 430 F C 2.701 178.515 175.800 0.024 0.000 1.089 430 F CA 1.308 59.396 58.000 0.147 0.000 1.377 430 F CB -0.736 38.465 39.000 0.336 0.000 1.051 430 F HN -0.091 nan 8.300 nan 0.000 0.511 431 S N 0.399 116.152 115.700 0.089 0.000 2.368 431 S HA -0.175 4.295 4.470 -0.001 0.000 0.225 431 S C 2.134 176.680 174.600 -0.091 0.000 1.030 431 S CA 1.440 59.627 58.200 -0.022 0.000 0.999 431 S CB -0.460 62.706 63.200 -0.057 0.000 0.844 431 S HN 0.342 nan 8.310 nan 0.000 0.459 432 I N 1.215 121.665 120.570 -0.200 0.000 2.202 432 I HA -0.153 4.017 4.170 -0.001 0.000 0.242 432 I C 2.294 178.355 176.117 -0.094 0.000 1.091 432 I CA 1.055 62.237 61.300 -0.195 0.000 1.368 432 I CB -0.354 37.452 38.000 -0.323 0.000 1.058 432 I HN 0.314 nan 8.210 nan 0.000 0.410 433 L N 0.114 121.278 121.223 -0.097 0.000 2.042 433 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 433 L C 2.564 179.429 176.870 -0.008 0.000 1.076 433 L CA 1.432 56.239 54.840 -0.055 0.000 0.749 433 L CB -0.548 41.422 42.059 -0.147 0.000 0.893 433 L HN 0.283 nan 8.230 nan 0.000 0.432 434 L N -0.427 120.803 121.223 0.012 0.000 2.046 434 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 434 L C 2.844 179.721 176.870 0.012 0.000 1.077 434 L CA 1.221 56.082 54.840 0.035 0.000 0.747 434 L CB -0.597 41.493 42.059 0.053 0.000 0.896 434 L HN 0.230 nan 8.230 nan 0.000 0.432 435 A N -1.069 121.746 122.820 -0.009 0.000 1.972 435 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 435 A C 2.052 179.635 177.584 -0.002 0.000 1.169 435 A CA 1.354 53.383 52.037 -0.013 0.000 0.635 435 A CB -0.199 18.781 19.000 -0.033 0.000 0.810 435 A HN 0.425 nan 8.150 nan 0.000 0.446 436 Q N -0.849 118.954 119.800 0.005 0.000 2.282 436 Q HA 0.116 4.455 4.340 -0.001 0.000 0.206 436 Q C -0.604 175.409 176.000 0.022 0.000 0.878 436 Q CA 0.224 56.038 55.803 0.018 0.000 0.944 436 Q CB 0.173 28.931 28.738 0.033 0.000 1.100 436 Q HN 0.775 nan 8.270 nan 0.000 0.509 437 E N 0.911 121.124 120.200 0.022 0.000 2.230 437 E HA -0.243 4.107 4.350 -0.001 0.000 0.206 437 E C -0.271 176.349 176.600 0.033 0.000 1.309 437 E CA 0.284 56.701 56.400 0.029 0.000 0.697 437 E CB -1.033 28.683 29.700 0.025 0.000 1.146 437 E HN 0.436 nan 8.360 nan 0.000 0.363 438 Q N -0.379 119.442 119.800 0.036 0.000 2.135 438 Q HA 0.204 4.544 4.340 -0.001 0.000 0.222 438 Q C 1.675 177.704 176.000 0.048 0.000 0.808 438 Q CA -0.274 55.555 55.803 0.044 0.000 1.049 438 Q CB 0.528 29.298 28.738 0.054 0.000 1.168 438 Q HN 0.385 nan 8.270 nan 0.000 0.483 439 L N 1.663 122.913 121.223 0.046 0.000 2.051 439 L HA -0.246 4.094 4.340 -0.001 0.000 0.214 439 L C 2.346 179.260 176.870 0.075 0.000 1.076 439 L CA 1.544 56.417 54.840 0.056 0.000 0.758 439 L CB -0.342 41.779 42.059 0.103 0.000 0.890 439 L HN 0.381 nan 8.230 nan 0.000 0.433 440 E N 0.957 121.198 120.200 0.069 0.000 2.489 440 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 440 E C 0.567 177.203 176.600 0.060 0.000 1.057 440 E CA 0.104 56.544 56.400 0.066 0.000 0.866 440 E CB -0.198 29.536 29.700 0.057 0.000 0.916 440 E HN 0.331 nan 8.360 nan 0.000 0.500 441 K N 1.562 121.998 120.400 0.060 0.000 2.349 441 K HA 0.335 4.655 4.320 -0.001 0.000 0.288 441 K C -0.473 176.165 176.600 0.065 0.000 1.058 441 K CA -0.107 56.214 56.287 0.057 0.000 0.953 441 K CB 0.663 33.197 32.500 0.056 0.000 0.997 441 K HN 0.074 nan 8.250 nan 0.000 0.477 442 A N 5.550 128.405 122.820 0.058 0.000 2.488 442 A HA 0.300 4.620 4.320 -0.001 0.000 0.249 442 A C -0.426 177.193 177.584 0.057 0.000 1.083 442 A CA -0.192 51.881 52.037 0.060 0.000 0.768 442 A CB 0.075 19.112 19.000 0.062 0.000 1.017 442 A HN 0.769 nan 8.150 nan 0.000 0.496 443 L N 1.956 123.204 121.223 0.041 0.000 2.341 443 L HA 0.433 4.772 4.340 -0.001 0.000 0.267 443 L C -0.729 176.139 176.870 -0.003 0.000 1.009 443 L CA -1.084 53.769 54.840 0.021 0.000 0.819 443 L CB 1.981 44.034 42.059 -0.009 0.000 1.323 443 L HN 0.575 nan 8.230 nan 0.000 0.425 444 D N 1.075 121.478 120.400 0.006 0.000 2.210 444 D HA 0.499 5.139 4.640 -0.001 0.000 0.249 444 D C -0.517 175.743 176.300 -0.068 0.000 1.078 444 D CA -0.035 53.972 54.000 0.011 0.000 0.875 444 D CB 1.921 42.755 40.800 0.058 0.000 1.175 444 D HN 0.627 nan 8.370 nan 0.000 0.440 445 C N 0.299 119.556 119.300 -0.072 0.000 3.323 445 C HA 0.677 5.136 4.460 -0.001 0.000 0.324 445 C C -1.161 173.793 174.990 -0.059 0.000 1.428 445 C CA -0.818 58.125 59.018 -0.125 0.000 1.368 445 C CB 1.489 29.095 27.740 -0.223 0.000 1.731 445 C HN 0.539 nan 8.230 nan 0.000 0.455 446 Q N 0.457 120.219 119.800 -0.063 0.000 2.365 446 Q HA 0.741 5.081 4.340 -0.001 0.000 0.269 446 Q C -1.379 174.592 176.000 -0.049 0.000 1.061 446 Q CA -0.446 55.352 55.803 -0.008 0.000 0.816 446 Q CB 2.574 31.315 28.738 0.004 0.000 1.325 446 Q HN 0.719 nan 8.270 nan 0.000 0.446 447 I N 2.901 123.455 120.570 -0.025 0.000 2.439 447 I HA 0.198 4.368 4.170 -0.001 0.000 0.283 447 I C -1.101 175.045 176.117 0.049 0.000 1.023 447 I CA -0.702 60.477 61.300 -0.202 0.000 1.100 447 I CB 0.871 38.436 38.000 -0.725 0.000 1.238 447 I HN 0.664 nan 8.210 nan 0.000 0.445 448 Y N 4.900 125.259 120.300 0.097 0.000 3.689 448 Y HA -0.242 4.307 4.550 -0.000 0.000 0.221 448 Y C 1.454 177.359 175.900 0.009 0.000 1.247 448 Y CA 1.003 59.163 58.100 0.099 0.000 1.671 448 Y CB -1.963 36.574 38.460 0.129 0.000 1.521 448 Y HN 0.957 nan 8.280 nan 0.000 0.632 449 G N -2.052 106.858 108.800 0.182 0.000 2.234 449 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.260 449 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.260 449 G C 0.418 175.371 174.900 0.089 0.000 0.987 449 G CA 0.263 45.428 45.100 0.108 0.000 0.625 449 G HN 1.598 nan 8.290 nan 0.000 0.532 450 A N -0.670 122.219 122.820 0.115 0.000 2.303 450 A HA 0.680 5.000 4.320 -0.001 0.000 0.317 450 A C 0.610 178.090 177.584 -0.173 0.000 1.149 450 A CA 0.342 52.331 52.037 -0.081 0.000 0.822 450 A CB 1.122 20.053 19.000 -0.116 0.000 1.131 450 A HN 1.559 nan 8.150 nan 0.000 0.493 451 C N 2.165 121.276 119.300 -0.315 0.000 2.388 451 C HA 0.771 5.231 4.460 -0.001 0.000 0.362 451 C C -1.037 173.652 174.990 -0.502 0.000 1.266 451 C CA -0.398 58.498 59.018 -0.204 0.000 2.028 451 C CB -1.191 26.547 27.740 -0.004 0.000 2.440 451 C HN 0.648 nan 8.230 nan 0.000 0.547 452 Y N 2.922 123.098 120.300 -0.206 0.000 2.442 452 Y HA 0.412 4.961 4.550 -0.001 0.000 0.344 452 Y C 0.297 176.121 175.900 -0.127 0.000 0.976 452 Y CA -0.383 57.548 58.100 -0.281 0.000 1.040 452 Y CB 1.846 40.044 38.460 -0.437 0.000 1.228 452 Y HN 0.616 nan 8.280 nan 0.000 0.451 453 S N 4.503 120.242 115.700 0.064 0.000 2.430 453 S HA 0.678 5.147 4.470 -0.001 0.000 0.289 453 S C -0.860 173.799 174.600 0.097 0.000 1.143 453 S CA -0.262 58.003 58.200 0.108 0.000 1.067 453 S CB -0.434 62.862 63.200 0.160 0.000 0.964 453 S HN 0.541 nan 8.310 nan 0.000 0.485 454 I N 3.941 124.551 120.570 0.067 0.000 2.582 454 I HA 0.371 4.541 4.170 -0.001 0.000 0.292 454 I C -0.299 175.855 176.117 0.061 0.000 1.066 454 I CA -0.694 60.653 61.300 0.078 0.000 1.053 454 I CB 2.295 40.336 38.000 0.068 0.000 1.241 454 I HN 0.556 nan 8.210 nan 0.000 0.421 455 E N 6.662 126.911 120.200 0.082 0.000 2.167 455 E HA 0.205 4.554 4.350 -0.001 0.000 0.284 455 E C -1.860 174.807 176.600 0.111 0.000 1.016 455 E CA -1.598 54.853 56.400 0.084 0.000 0.817 455 E CB 1.393 31.141 29.700 0.080 0.000 1.080 455 E HN 0.311 nan 8.360 nan 0.000 0.397 456 P HA -0.233 nan 4.420 nan 0.000 0.218 456 P C 1.053 178.525 177.300 0.286 0.000 1.152 456 P CA 1.274 64.489 63.100 0.191 0.000 0.857 456 P CB 0.178 31.923 31.700 0.075 0.000 0.787 457 L N -0.928 120.424 121.223 0.215 0.000 2.261 457 L HA -0.169 4.171 4.340 -0.001 0.000 0.216 457 L C 1.532 178.490 176.870 0.147 0.000 1.114 457 L CA 1.279 56.242 54.840 0.204 0.000 0.777 457 L CB -0.741 41.401 42.059 0.138 0.000 0.910 457 L HN 0.042 nan 8.230 nan 0.000 0.440 458 D N -0.409 120.069 120.400 0.129 0.000 2.350 458 D HA 0.019 4.659 4.640 -0.001 0.000 0.213 458 D C 2.298 178.657 176.300 0.098 0.000 1.031 458 D CA 0.251 54.300 54.000 0.082 0.000 0.861 458 D CB 0.366 41.203 40.800 0.060 0.000 0.926 458 D HN 0.322 nan 8.370 nan 0.000 0.520 459 L N 1.120 122.446 121.223 0.171 0.000 2.021 459 L HA -0.196 4.144 4.340 -0.001 0.000 0.215 459 L C -0.442 176.528 176.870 0.167 0.000 1.074 459 L CA 1.732 56.690 54.840 0.195 0.000 0.760 459 L CB -1.662 40.578 42.059 0.302 0.000 0.889 459 L HN 0.045 nan 8.230 nan 0.000 0.433 460 P HA -0.213 nan 4.420 nan 0.000 0.214 460 P C 1.464 178.827 177.300 0.104 0.000 1.163 460 P CA 1.455 64.600 63.100 0.074 0.000 0.889 460 P CB -0.020 31.551 31.700 -0.215 0.000 0.790 461 Q N -0.873 118.917 119.800 -0.017 0.000 2.084 461 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 461 Q C 2.260 178.243 176.000 -0.027 0.000 0.978 461 Q CA 1.238 57.017 55.803 -0.041 0.000 0.844 461 Q CB -0.743 27.952 28.738 -0.072 0.000 0.898 461 Q HN 0.276 nan 8.270 nan 0.000 0.426 462 I N 0.602 121.161 120.570 -0.018 0.000 2.163 462 I HA -0.295 3.874 4.170 -0.001 0.000 0.243 462 I C 2.242 178.365 176.117 0.010 0.000 1.085 462 I CA 1.269 62.533 61.300 -0.060 0.000 1.347 462 I CB -0.269 37.743 38.000 0.020 0.000 1.044 462 I HN 0.200 nan 8.210 nan 0.000 0.408 463 I N 0.435 121.069 120.570 0.106 0.000 2.226 463 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 463 I C 2.641 178.762 176.117 0.006 0.000 1.100 463 I CA 1.406 62.777 61.300 0.119 0.000 1.374 463 I CB -0.428 37.623 38.000 0.085 0.000 1.057 463 I HN 0.290 nan 8.210 nan 0.000 0.413 464 E N 1.009 121.232 120.200 0.039 0.000 2.160 464 E HA -0.241 4.109 4.350 -0.001 0.000 0.195 464 E C 2.298 178.882 176.600 -0.028 0.000 0.991 464 E CA 1.010 57.424 56.400 0.023 0.000 0.810 464 E CB 0.155 29.942 29.700 0.145 0.000 0.742 464 E HN 0.307 nan 8.360 nan 0.000 0.466 465 R N -0.036 120.430 120.500 -0.056 0.000 2.090 465 R HA -0.010 4.330 4.340 -0.001 0.000 0.228 465 R C 2.358 178.583 176.300 -0.124 0.000 1.110 465 R CA 0.711 56.753 56.100 -0.097 0.000 0.973 465 R CB -0.264 29.944 30.300 -0.152 0.000 0.869 465 R HN 0.333 nan 8.270 nan 0.000 0.440 466 L N -0.863 120.257 121.223 -0.172 0.000 2.477 466 L HA 0.074 4.414 4.340 -0.001 0.000 0.220 466 L C 1.443 177.948 176.870 -0.608 0.000 1.106 466 L CA 0.635 55.263 54.840 -0.352 0.000 0.851 466 L CB -0.112 41.719 42.059 -0.381 0.000 0.994 466 L HN 0.200 nan 8.230 nan 0.000 0.462 467 H N -0.698 118.309 119.070 -0.106 0.000 3.583 467 H HA 0.312 4.867 4.556 -0.001 0.000 0.251 467 H C 0.914 176.159 175.328 -0.138 0.000 1.060 467 H CA 0.710 56.680 56.048 -0.130 0.000 1.159 467 H CB 1.258 30.912 29.762 -0.179 0.000 1.496 467 H HN 0.208 nan 8.280 nan 0.000 0.540 468 G N 1.331 110.106 108.800 -0.040 0.000 2.758 468 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.686 468 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.686 468 G C 0.737 175.584 174.900 -0.089 0.000 1.389 468 G CA -0.122 44.956 45.100 -0.038 0.000 0.845 468 G HN 0.203 nan 8.290 nan 0.000 0.572 469 L N 1.050 122.288 121.223 0.026 0.000 2.263 469 L HA -0.168 4.172 4.340 -0.001 0.000 0.216 469 L C 3.196 180.087 176.870 0.035 0.000 1.111 469 L CA 2.237 57.160 54.840 0.139 0.000 0.773 469 L CB -0.551 41.653 42.059 0.242 0.000 0.906 469 L HN 0.942 nan 8.230 nan 0.000 0.439 470 S N -0.017 115.662 115.700 -0.034 0.000 2.419 470 S HA -0.196 4.274 4.470 -0.001 0.000 0.235 470 S C 2.142 176.661 174.600 -0.135 0.000 1.019 470 S CA 0.862 59.027 58.200 -0.058 0.000 0.982 470 S CB -0.355 62.806 63.200 -0.066 0.000 0.789 470 S HN 0.393 nan 8.310 nan 0.000 0.490 471 A N 0.847 123.508 122.820 -0.265 0.000 2.019 471 A HA 0.151 4.471 4.320 -0.001 0.000 0.219 471 A C 1.657 179.080 177.584 -0.268 0.000 1.164 471 A CA 1.102 52.917 52.037 -0.369 0.000 0.644 471 A CB -0.885 17.792 19.000 -0.537 0.000 0.805 471 A HN 0.577 nan 8.150 nan 0.000 0.449 472 F N 0.390 120.354 119.950 0.022 0.000 2.780 472 F HA 0.070 4.597 4.527 -0.000 0.000 0.299 472 F C 1.773 177.616 175.800 0.071 0.000 1.146 472 F CA 0.750 58.788 58.000 0.063 0.000 1.428 472 F CB -0.028 39.036 39.000 0.108 0.000 1.115 472 F HN 0.272 nan 8.300 nan 0.000 0.583 473 S N -1.320 114.481 115.700 0.167 0.000 3.031 473 S HA 0.327 4.797 4.470 -0.001 0.000 0.253 473 S C -0.122 174.521 174.600 0.071 0.000 0.996 473 S CA -0.455 57.831 58.200 0.143 0.000 1.098 473 S CB -0.775 62.504 63.200 0.132 0.000 1.042 473 S HN 0.029 nan 8.310 nan 0.000 0.593 474 L N 3.174 124.364 121.223 -0.056 0.000 2.426 474 L HA 0.519 4.858 4.340 -0.001 0.000 0.271 474 L C 0.561 177.285 176.870 -0.244 0.000 1.169 474 L CA -0.065 54.614 54.840 -0.269 0.000 0.836 474 L CB 0.258 42.029 42.059 -0.480 0.000 1.112 474 L HN 0.682 nan 8.230 nan 0.000 0.465 475 H N -1.455 117.383 119.070 -0.387 0.000 2.933 475 H HA 0.365 4.921 4.556 -0.000 0.000 0.310 475 H C -0.324 174.835 175.328 -0.281 0.000 1.351 475 H CA -0.946 54.934 56.048 -0.281 0.000 1.137 475 H CB 0.977 30.704 29.762 -0.057 0.000 1.853 475 H HN 0.379 nan 8.280 nan 0.000 0.539 476 S N -0.166 115.613 115.700 0.132 0.000 3.484 476 S HA -0.227 4.242 4.470 -0.001 0.000 0.384 476 S C -0.624 173.992 174.600 0.027 0.000 0.932 476 S CA 0.518 58.811 58.200 0.155 0.000 1.293 476 S CB -2.355 60.986 63.200 0.236 0.000 0.919 476 S HN 0.507 nan 8.310 nan 0.000 0.540 477 Y N 1.622 121.964 120.300 0.070 0.000 2.335 477 Y HA 0.263 4.813 4.550 -0.001 0.000 0.348 477 Y C 1.438 177.387 175.900 0.082 0.000 1.280 477 Y CA 0.369 58.506 58.100 0.062 0.000 1.504 477 Y CB 0.345 38.843 38.460 0.062 0.000 1.366 477 Y HN 0.524 nan 8.280 nan 0.000 0.621 478 S N 0.961 116.810 115.700 0.248 0.000 2.576 478 S HA 0.137 4.606 4.470 -0.001 0.000 0.276 478 S C -2.058 172.625 174.600 0.139 0.000 1.339 478 S CA -1.128 57.162 58.200 0.150 0.000 1.039 478 S CB 1.231 64.495 63.200 0.106 0.000 0.902 478 S HN 0.426 nan 8.310 nan 0.000 0.516 479 P HA -0.045 nan 4.420 nan 0.000 0.216 479 P C 1.700 179.040 177.300 0.067 0.000 1.150 479 P CA 1.676 64.824 63.100 0.081 0.000 0.843 479 P CB -0.386 31.352 31.700 0.064 0.000 0.787 480 G N -0.063 108.772 108.800 0.059 0.000 2.433 480 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.216 480 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.216 480 G C 1.656 176.583 174.900 0.045 0.000 1.186 480 G CA 0.971 46.096 45.100 0.041 0.000 0.779 480 G HN 0.243 nan 8.290 nan 0.000 0.543 481 E N 0.637 120.881 120.200 0.072 0.000 2.058 481 E HA -0.096 4.253 4.350 -0.001 0.000 0.194 481 E C 2.453 179.088 176.600 0.060 0.000 0.997 481 E CA 0.916 57.366 56.400 0.083 0.000 0.801 481 E CB -0.418 29.384 29.700 0.169 0.000 0.746 481 E HN 0.517 nan 8.360 nan 0.000 0.450 482 I N 0.813 121.428 120.570 0.075 0.000 2.151 482 I HA -0.340 3.829 4.170 -0.001 0.000 0.243 482 I C 1.967 178.106 176.117 0.036 0.000 1.080 482 I CA 1.370 62.702 61.300 0.054 0.000 1.339 482 I CB -0.459 37.589 38.000 0.080 0.000 1.039 482 I HN 0.203 nan 8.210 nan 0.000 0.409 483 N N 0.584 119.306 118.700 0.036 0.000 2.188 483 N HA -0.199 4.540 4.740 -0.001 0.000 0.184 483 N C 1.902 177.418 175.510 0.010 0.000 1.018 483 N CA 1.114 54.179 53.050 0.025 0.000 0.858 483 N CB -0.460 38.042 38.487 0.025 0.000 0.989 483 N HN 0.367 nan 8.380 nan 0.000 0.426 484 R N 1.035 121.536 120.500 0.001 0.000 2.081 484 R HA -0.041 4.299 4.340 -0.001 0.000 0.235 484 R C 1.920 178.195 176.300 -0.043 0.000 1.131 484 R CA 0.972 57.057 56.100 -0.025 0.000 0.960 484 R CB -0.085 30.193 30.300 -0.037 0.000 0.856 484 R HN -0.037 nan 8.270 nan 0.000 0.436 485 V N 0.916 120.811 119.914 -0.031 0.000 2.307 485 V HA -0.183 3.937 4.120 -0.001 0.000 0.245 485 V C 2.477 178.564 176.094 -0.012 0.000 1.045 485 V CA 1.861 64.137 62.300 -0.039 0.000 1.024 485 V CB -0.742 31.080 31.823 -0.001 0.000 0.651 485 V HN 0.550 nan 8.190 nan 0.000 0.449 486 A N -0.393 122.432 122.820 0.009 0.000 1.940 486 A HA -0.240 4.080 4.320 -0.001 0.000 0.219 486 A C 2.489 180.087 177.584 0.023 0.000 1.176 486 A CA 2.420 54.472 52.037 0.026 0.000 0.631 486 A CB -0.729 18.290 19.000 0.033 0.000 0.814 486 A HN 0.504 nan 8.150 nan 0.000 0.446 487 S N -1.356 114.351 115.700 0.011 0.000 2.356 487 S HA -0.206 4.263 4.470 -0.001 0.000 0.223 487 S C 2.072 176.680 174.600 0.013 0.000 1.032 487 S CA 1.221 59.429 58.200 0.013 0.000 1.005 487 S CB -0.864 62.338 63.200 0.004 0.000 0.867 487 S HN 0.809 nan 8.310 nan 0.000 0.449 488 C N 2.201 121.495 119.300 -0.011 0.000 2.413 488 C HA -0.045 4.415 4.460 -0.001 0.000 0.276 488 C C 2.425 177.424 174.990 0.015 0.000 1.236 488 C CA 0.733 59.741 59.018 -0.017 0.000 1.735 488 C CB -1.651 26.042 27.740 -0.079 0.000 2.031 488 C HN 0.583 nan 8.230 nan 0.000 0.474 489 L N 0.123 121.359 121.223 0.022 0.000 2.131 489 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 489 L C 3.040 179.941 176.870 0.051 0.000 1.092 489 L CA 1.659 56.528 54.840 0.048 0.000 0.759 489 L CB -0.829 41.274 42.059 0.072 0.000 0.903 489 L HN 0.386 nan 8.230 nan 0.000 0.435 490 R N 0.233 120.768 120.500 0.058 0.000 2.073 490 R HA -0.146 4.194 4.340 -0.001 0.000 0.229 490 R C 2.387 178.770 176.300 0.140 0.000 1.120 490 R CA 1.148 57.296 56.100 0.081 0.000 0.967 490 R CB -0.138 30.204 30.300 0.069 0.000 0.862 490 R HN 0.251 nan 8.270 nan 0.000 0.436 491 K N 0.987 121.456 120.400 0.116 0.000 2.032 491 K HA -0.131 4.189 4.320 -0.001 0.000 0.209 491 K C 1.821 178.584 176.600 0.272 0.000 1.048 491 K CA 1.336 57.713 56.287 0.150 0.000 0.927 491 K CB -0.007 32.544 32.500 0.084 0.000 0.712 491 K HN 0.137 nan 8.250 nan 0.000 0.441 492 L N -0.460 120.864 121.223 0.168 0.000 2.446 492 L HA 0.141 4.481 4.340 -0.001 0.000 0.219 492 L C 0.797 177.613 176.870 -0.091 0.000 1.116 492 L CA 0.402 55.324 54.840 0.137 0.000 0.844 492 L CB 0.101 42.209 42.059 0.081 0.000 0.970 492 L HN 0.577 nan 8.230 nan 0.000 0.457 493 G N 1.243 109.917 108.800 -0.211 0.000 2.341 493 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.278 493 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.278 493 G C -0.319 174.468 174.900 -0.189 0.000 1.111 493 G CA -0.147 44.659 45.100 -0.490 0.000 0.982 493 G HN 0.061 nan 8.290 nan 0.000 0.502 494 V N 1.008 120.905 119.914 -0.029 0.000 2.427 494 V HA 0.471 4.591 4.120 -0.001 0.000 0.286 494 V C -1.164 175.012 176.094 0.137 0.000 1.034 494 V CA -1.715 60.644 62.300 0.099 0.000 0.893 494 V CB 1.688 33.613 31.823 0.171 0.000 0.982 494 V HN 0.278 nan 8.190 nan 0.000 0.452 495 P HA 0.056 nan 4.420 nan 0.000 0.267 495 P C -2.445 174.937 177.300 0.136 0.000 1.195 495 P CA -0.390 62.703 63.100 -0.012 0.000 0.773 495 P CB -0.163 31.339 31.700 -0.329 0.000 0.837 496 P HA 0.045 nan 4.420 nan 0.000 0.276 496 P C 0.708 178.148 177.300 0.232 0.000 1.261 496 P CA -0.461 62.728 63.100 0.149 0.000 0.800 496 P CB 0.678 32.425 31.700 0.077 0.000 1.066 497 L N 2.402 123.777 121.223 0.253 0.000 2.021 497 L HA -0.240 4.099 4.340 -0.001 0.000 0.215 497 L C 2.646 179.674 176.870 0.264 0.000 1.074 497 L CA 2.013 57.025 54.840 0.286 0.000 0.760 497 L CB -1.128 41.041 42.059 0.185 0.000 0.889 497 L HN 0.302 nan 8.230 nan 0.000 0.433 498 R N -0.896 119.703 120.500 0.165 0.000 2.113 498 R HA -0.204 4.136 4.340 -0.001 0.000 0.244 498 R C 2.076 178.446 176.300 0.117 0.000 1.142 498 R CA 1.998 58.174 56.100 0.126 0.000 0.953 498 R CB -1.116 29.224 30.300 0.066 0.000 0.860 498 R HN 0.417 nan 8.270 nan 0.000 0.438 499 V N -0.438 119.498 119.914 0.036 0.000 2.270 499 V HA -0.220 3.899 4.120 -0.001 0.000 0.245 499 V C 1.979 178.053 176.094 -0.033 0.000 1.043 499 V CA 1.820 64.076 62.300 -0.074 0.000 1.014 499 V CB -0.668 30.978 31.823 -0.295 0.000 0.645 499 V HN 0.412 nan 8.190 nan 0.000 0.447 500 W N 0.272 121.674 121.300 0.169 0.000 2.342 500 W HA -0.160 4.499 4.660 -0.001 0.000 0.297 500 W C 2.781 179.484 176.519 0.307 0.000 1.213 500 W CA 1.680 59.159 57.345 0.223 0.000 1.251 500 W CB -0.276 29.322 29.460 0.229 0.000 1.136 500 W HN 0.074 nan 8.180 nan 0.000 0.526 501 R N -0.130 120.692 120.500 0.537 0.000 2.073 501 R HA -0.247 4.093 4.340 -0.001 0.000 0.234 501 R C 2.136 178.551 176.300 0.191 0.000 1.134 501 R CA 2.185 58.554 56.100 0.448 0.000 0.952 501 R CB -0.778 29.761 30.300 0.399 0.000 0.850 501 R HN 0.271 nan 8.270 nan 0.000 0.433 502 H N 0.443 119.568 119.070 0.091 0.000 2.321 502 H HA -0.044 4.511 4.556 -0.001 0.000 0.300 502 H C 1.997 177.310 175.328 -0.024 0.000 1.087 502 H CA 2.220 58.272 56.048 0.007 0.000 1.319 502 H CB 0.008 29.760 29.762 -0.017 0.000 1.379 502 H HN 0.162 nan 8.280 nan 0.000 0.501 503 R N -0.056 120.346 120.500 -0.162 0.000 2.096 503 R HA -0.069 4.271 4.340 -0.001 0.000 0.235 503 R C 2.584 178.752 176.300 -0.220 0.000 1.127 503 R CA 1.050 57.023 56.100 -0.211 0.000 0.968 503 R CB -0.361 29.925 30.300 -0.024 0.000 0.861 503 R HN 0.424 nan 8.270 nan 0.000 0.440 504 A N 1.415 124.155 122.820 -0.134 0.000 1.933 504 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 504 A C 2.060 179.343 177.584 -0.502 0.000 1.175 504 A CA 1.189 52.981 52.037 -0.408 0.000 0.628 504 A CB -0.327 18.465 19.000 -0.348 0.000 0.814 504 A HN 0.231 nan 8.150 nan 0.000 0.444 505 R N -0.642 119.650 120.500 -0.348 0.000 2.092 505 R HA -0.088 4.251 4.340 -0.001 0.000 0.231 505 R C 2.614 178.747 176.300 -0.278 0.000 1.119 505 R CA 1.398 57.327 56.100 -0.284 0.000 0.970 505 R CB -0.470 29.719 30.300 -0.185 0.000 0.864 505 R HN 0.569 nan 8.270 nan 0.000 0.440 506 S N 0.530 116.034 115.700 -0.327 0.000 2.356 506 S HA -0.103 4.366 4.470 -0.001 0.000 0.223 506 S C 2.080 176.542 174.600 -0.231 0.000 1.032 506 S CA 1.288 59.328 58.200 -0.267 0.000 1.005 506 S CB -0.133 62.882 63.200 -0.309 0.000 0.867 506 S HN 0.110 nan 8.310 nan 0.000 0.449 507 V N 2.466 122.197 119.914 -0.304 0.000 2.343 507 V HA -0.118 4.002 4.120 -0.001 0.000 0.247 507 V C 2.743 178.666 176.094 -0.286 0.000 1.051 507 V CA 2.202 64.324 62.300 -0.297 0.000 1.036 507 V CB -0.842 30.702 31.823 -0.466 0.000 0.654 507 V HN 0.521 nan 8.190 nan 0.000 0.451 508 R N 0.353 120.616 120.500 -0.395 0.000 2.073 508 R HA -0.178 4.162 4.340 -0.001 0.000 0.234 508 R C 2.293 178.526 176.300 -0.111 0.000 1.134 508 R CA 1.823 57.797 56.100 -0.210 0.000 0.952 508 R CB -0.481 29.690 30.300 -0.216 0.000 0.850 508 R HN 0.465 nan 8.270 nan 0.000 0.433 509 A N 1.072 123.816 122.820 -0.127 0.000 1.877 509 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 509 A C 2.214 179.767 177.584 -0.053 0.000 1.186 509 A CA 1.566 53.555 52.037 -0.081 0.000 0.620 509 A CB -0.457 18.492 19.000 -0.084 0.000 0.822 509 A HN 0.381 nan 8.150 nan 0.000 0.443 510 R N -0.582 119.883 120.500 -0.058 0.000 2.096 510 R HA -0.034 4.306 4.340 -0.001 0.000 0.235 510 R C 2.032 178.335 176.300 0.006 0.000 1.127 510 R CA 1.392 57.477 56.100 -0.026 0.000 0.968 510 R CB -0.476 29.807 30.300 -0.029 0.000 0.861 510 R HN 0.525 nan 8.270 nan 0.000 0.440 511 L N 0.259 121.491 121.223 0.016 0.000 2.027 511 L HA -0.165 4.175 4.340 -0.001 0.000 0.206 511 L C 2.227 179.121 176.870 0.040 0.000 1.074 511 L CA 1.158 56.034 54.840 0.059 0.000 0.745 511 L CB -0.407 41.709 42.059 0.094 0.000 0.898 511 L HN 0.204 nan 8.230 nan 0.000 0.433 512 L N -0.994 120.238 121.223 0.015 0.000 2.079 512 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 512 L C 2.657 179.532 176.870 0.008 0.000 1.081 512 L CA 1.103 55.948 54.840 0.008 0.000 0.752 512 L CB -0.682 41.370 42.059 -0.012 0.000 0.896 512 L HN 0.241 nan 8.230 nan 0.000 0.433 513 S N -0.677 115.026 115.700 0.005 0.000 2.383 513 S HA -0.241 4.229 4.470 -0.001 0.000 0.227 513 S C 1.914 176.523 174.600 0.015 0.000 1.026 513 S CA 1.133 59.336 58.200 0.005 0.000 0.981 513 S CB -0.157 63.043 63.200 0.000 0.000 0.818 513 S HN 0.363 nan 8.310 nan 0.000 0.472 514 Q N 0.623 120.438 119.800 0.025 0.000 2.096 514 Q HA 0.109 4.448 4.340 -0.001 0.000 0.204 514 Q C 1.168 177.187 176.000 0.032 0.000 0.982 514 Q CA 1.272 57.096 55.803 0.034 0.000 0.850 514 Q CB -0.430 28.340 28.738 0.053 0.000 0.901 514 Q HN 0.593 nan 8.270 nan 0.000 0.422 515 G N -2.749 106.070 108.800 0.032 0.000 2.615 515 G HA2 0.052 4.012 3.960 -0.001 0.000 0.218 515 G HA3 0.052 4.012 3.960 -0.001 0.000 0.218 515 G C 0.513 175.434 174.900 0.035 0.000 1.339 515 G CA -0.358 44.758 45.100 0.028 0.000 0.884 515 G HN 1.058 nan 8.290 nan 0.000 0.559 516 G N -0.528 108.289 108.800 0.028 0.000 2.661 516 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.327 516 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.327 516 G C 1.296 176.215 174.900 0.032 0.000 1.320 516 G CA 1.824 46.941 45.100 0.028 0.000 0.997 516 G HN 1.497 nan 8.290 nan 0.000 0.543 517 R N 0.523 121.045 120.500 0.037 0.000 2.115 517 R HA 0.161 4.501 4.340 -0.001 0.000 0.226 517 R C 3.157 179.496 176.300 0.066 0.000 1.100 517 R CA 1.502 57.625 56.100 0.038 0.000 0.980 517 R CB -0.534 29.793 30.300 0.045 0.000 0.875 517 R HN 0.603 nan 8.270 nan 0.000 0.445 518 A N 1.708 124.579 122.820 0.085 0.000 1.908 518 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 518 A C 2.410 180.049 177.584 0.092 0.000 1.181 518 A CA 1.823 53.930 52.037 0.118 0.000 0.627 518 A CB -0.569 18.497 19.000 0.110 0.000 0.818 518 A HN 0.379 nan 8.150 nan 0.000 0.445 519 A N -1.184 121.674 122.820 0.063 0.000 1.930 519 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 519 A C 2.277 179.893 177.584 0.054 0.000 1.175 519 A CA 2.176 54.243 52.037 0.049 0.000 0.627 519 A CB -1.235 17.786 19.000 0.035 0.000 0.815 519 A HN 0.433 nan 8.150 nan 0.000 0.443 520 T N -0.610 113.976 114.554 0.053 0.000 2.720 520 T HA -0.213 4.137 4.350 -0.001 0.000 0.268 520 T C 1.899 176.622 174.700 0.037 0.000 1.037 520 T CA 1.636 63.773 62.100 0.062 0.000 1.144 520 T CB -0.719 68.124 68.868 -0.041 0.000 0.864 520 T HN 0.582 nan 8.240 nan 0.000 0.444 521 C N 1.265 120.566 119.300 0.001 0.000 2.432 521 C HA 0.028 4.487 4.460 -0.001 0.000 0.277 521 C C 3.102 178.038 174.990 -0.089 0.000 1.249 521 C CA 0.517 59.486 59.018 -0.083 0.000 1.725 521 C CB -1.548 26.172 27.740 -0.033 0.000 2.028 521 C HN 0.736 nan 8.230 nan 0.000 0.477 522 G N 0.209 109.032 108.800 0.038 0.000 2.433 522 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.216 522 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.216 522 G C 1.627 176.551 174.900 0.040 0.000 1.186 522 G CA 1.171 46.345 45.100 0.123 0.000 0.779 522 G HN 0.630 nan 8.290 nan 0.000 0.543 523 K N -0.701 119.692 120.400 -0.011 0.000 2.032 523 K HA -0.143 4.177 4.320 -0.001 0.000 0.209 523 K C 2.278 178.729 176.600 -0.248 0.000 1.048 523 K CA 1.458 57.678 56.287 -0.112 0.000 0.927 523 K CB -0.328 32.108 32.500 -0.107 0.000 0.712 523 K HN 0.403 nan 8.250 nan 0.000 0.441 524 Y N 0.857 120.940 120.300 -0.361 0.000 2.231 524 Y HA -0.013 4.537 4.550 -0.001 0.000 0.294 524 Y C 2.130 177.683 175.900 -0.578 0.000 1.120 524 Y CA 0.826 58.527 58.100 -0.664 0.000 1.141 524 Y CB -0.198 37.543 38.460 -1.199 0.000 1.022 524 Y HN -0.043 nan 8.280 nan 0.000 0.523 525 L N -1.751 119.250 121.223 -0.369 0.000 2.201 525 L HA -0.135 4.204 4.340 -0.001 0.000 0.212 525 L C 0.544 177.021 176.870 -0.655 0.000 1.105 525 L CA 1.222 55.763 54.840 -0.499 0.000 0.775 525 L CB -0.309 41.184 42.059 -0.945 0.000 0.913 525 L HN 0.171 nan 8.230 nan 0.000 0.440 526 F N -1.814 118.027 119.950 -0.181 0.000 2.764 526 F HA 0.190 4.716 4.527 -0.001 0.000 0.310 526 F C 1.572 176.996 175.800 -0.626 0.000 1.124 526 F CA -0.457 57.217 58.000 -0.545 0.000 1.252 526 F CB -0.788 37.927 39.000 -0.474 0.000 1.010 526 F HN -0.005 nan 8.300 nan 0.000 0.518 527 N N 0.870 119.437 118.700 -0.222 0.000 2.364 527 N HA -0.158 4.581 4.740 -0.001 0.000 0.183 527 N C 1.809 177.266 175.510 -0.087 0.000 1.022 527 N CA 1.268 54.228 53.050 -0.150 0.000 0.883 527 N CB -0.024 38.400 38.487 -0.106 0.000 0.965 527 N HN 0.583 nan 8.380 nan 0.000 0.438 528 W N -0.048 121.300 121.300 0.080 0.000 2.595 528 W HA 0.170 4.830 4.660 -0.000 0.000 0.257 528 W C 1.464 178.045 176.519 0.103 0.000 1.267 528 W CA 0.452 57.851 57.345 0.091 0.000 1.300 528 W CB -0.531 28.997 29.460 0.113 0.000 1.120 528 W HN -0.019 nan 8.180 nan 0.000 0.618 529 A N 2.025 124.492 122.820 -0.589 0.000 1.898 529 A HA 0.072 4.392 4.320 -0.001 0.000 0.214 529 A C 1.416 178.914 177.584 -0.143 0.000 1.183 529 A CA 1.378 53.130 52.037 -0.475 0.000 0.622 529 A CB -1.157 17.335 19.000 -0.847 0.000 0.824 529 A HN 0.100 nan 8.150 nan 0.000 0.444 530 V N -1.152 118.673 119.914 -0.147 0.000 2.924 530 V HA 0.202 4.321 4.120 -0.001 0.000 0.305 530 V C 1.175 177.257 176.094 -0.021 0.000 1.073 530 V CA 0.125 62.380 62.300 -0.075 0.000 1.098 530 V CB 0.908 32.678 31.823 -0.087 0.000 1.000 530 V HN 0.640 nan 8.190 nan 0.000 0.484 531 K N 1.007 121.401 120.400 -0.011 0.000 2.167 531 K HA 0.031 4.350 4.320 -0.001 0.000 0.203 531 K C 0.675 177.270 176.600 -0.009 0.000 1.052 531 K CA 1.122 57.410 56.287 0.002 0.000 0.956 531 K CB -0.175 32.327 32.500 0.003 0.000 0.735 531 K HN 0.663 nan 8.250 nan 0.000 0.451 532 T N 2.635 117.176 114.554 -0.021 0.000 3.145 532 T HA 0.260 4.609 4.350 -0.001 0.000 0.362 532 T C -0.900 173.778 174.700 -0.037 0.000 1.340 532 T CA -0.695 61.389 62.100 -0.026 0.000 1.069 532 T CB 0.885 69.737 68.868 -0.027 0.000 1.129 532 T HN 0.068 nan 8.240 nan 0.000 0.585 533 K N 1.913 122.293 120.400 -0.032 0.000 2.336 533 K HA 0.382 4.702 4.320 -0.001 0.000 0.262 533 K C 0.125 176.690 176.600 -0.058 0.000 0.992 533 K CA -0.348 55.913 56.287 -0.043 0.000 0.927 533 K CB 0.222 32.710 32.500 -0.020 0.000 0.956 533 K HN 0.233 nan 8.250 nan 0.000 0.495 534 L N 1.617 122.786 121.223 -0.089 0.000 2.440 534 L HA 0.245 4.585 4.340 -0.001 0.000 0.262 534 L C 1.323 178.133 176.870 -0.100 0.000 1.072 534 L CA -0.128 54.651 54.840 -0.102 0.000 0.798 534 L CB 0.581 42.551 42.059 -0.149 0.000 1.307 534 L HN 0.617 nan 8.230 nan 0.000 0.475 535 K N 0.290 120.633 120.400 -0.094 0.000 2.031 535 K HA 0.106 4.425 4.320 -0.001 0.000 0.205 535 K C -0.332 176.211 176.600 -0.095 0.000 1.049 535 K CA 0.408 56.654 56.287 -0.069 0.000 0.939 535 K CB -0.410 32.063 32.500 -0.044 0.000 0.717 535 K HN 0.136 nan 8.250 nan 0.000 0.438 536 L N 1.896 123.009 121.223 -0.184 0.000 2.827 536 L HA -0.142 4.198 4.340 -0.001 0.000 0.637 536 L C -0.696 176.167 176.870 -0.011 0.000 1.007 536 L CA 1.300 55.970 54.840 -0.283 0.000 1.336 536 L CB -1.946 39.938 42.059 -0.293 0.000 1.826 536 L HN 0.790 nan 8.230 nan 0.000 0.871 537 T N 1.850 116.457 114.554 0.088 0.000 2.942 537 T HA 0.890 5.239 4.350 -0.001 0.000 0.289 537 T C -2.565 172.275 174.700 0.235 0.000 1.044 537 T CA -2.301 59.884 62.100 0.142 0.000 1.023 537 T CB 1.983 70.903 68.868 0.087 0.000 1.123 537 T HN 0.270 nan 8.240 nan 0.000 0.512 538 P HA 0.136 nan 4.420 nan 0.000 0.263 538 P C -0.509 176.833 177.300 0.071 0.000 1.175 538 P CA 0.075 63.244 63.100 0.114 0.000 0.761 538 P CB 0.106 31.846 31.700 0.068 0.000 0.794 539 I N 6.104 126.671 120.570 -0.006 0.000 2.416 539 I HA 0.087 4.257 4.170 -0.001 0.000 0.288 539 I C -1.191 174.899 176.117 -0.045 0.000 1.051 539 I CA -1.874 59.377 61.300 -0.082 0.000 1.375 539 I CB 1.056 38.921 38.000 -0.224 0.000 1.407 539 I HN 0.335 nan 8.210 nan 0.000 0.516 540 P HA -0.236 nan 4.420 nan 0.000 0.213 540 P C 1.267 178.548 177.300 -0.032 0.000 1.176 540 P CA 1.308 64.396 63.100 -0.021 0.000 0.919 540 P CB 0.197 31.889 31.700 -0.013 0.000 0.791 541 A N -0.759 122.037 122.820 -0.040 0.000 2.248 541 A HA 0.072 4.392 4.320 -0.001 0.000 0.210 541 A C 2.066 179.615 177.584 -0.058 0.000 1.174 541 A CA 1.257 53.267 52.037 -0.044 0.000 0.750 541 A CB -1.411 17.565 19.000 -0.040 0.000 0.780 541 A HN 0.205 nan 8.150 nan 0.000 0.478 542 A N 0.252 123.035 122.820 -0.062 0.000 2.067 542 A HA -0.016 4.304 4.320 -0.001 0.000 0.219 542 A C 2.323 179.861 177.584 -0.077 0.000 1.158 542 A CA 1.724 53.717 52.037 -0.072 0.000 0.661 542 A CB -0.562 18.402 19.000 -0.061 0.000 0.801 542 A HN 0.925 nan 8.150 nan 0.000 0.452 543 S N -1.024 114.639 115.700 -0.060 0.000 2.528 543 S HA -0.042 4.427 4.470 -0.001 0.000 0.219 543 S C 1.635 176.196 174.600 -0.066 0.000 0.985 543 S CA 0.689 58.853 58.200 -0.060 0.000 0.914 543 S CB -0.194 62.982 63.200 -0.041 0.000 0.776 543 S HN 0.660 nan 8.310 nan 0.000 0.526 544 Q N 0.718 120.479 119.800 -0.064 0.000 2.230 544 Q HA 0.243 4.583 4.340 -0.001 0.000 0.202 544 Q C 0.135 176.085 176.000 -0.083 0.000 0.963 544 Q CA 0.333 56.100 55.803 -0.061 0.000 0.866 544 Q CB -0.305 28.405 28.738 -0.047 0.000 0.931 544 Q HN 0.542 nan 8.270 nan 0.000 0.452 545 L N 2.073 123.227 121.223 -0.114 0.000 2.499 545 L HA -0.006 4.333 4.340 -0.001 0.000 0.273 545 L C 0.215 176.968 176.870 -0.195 0.000 1.195 545 L CA -0.047 54.693 54.840 -0.167 0.000 0.882 545 L CB 0.198 42.116 42.059 -0.236 0.000 1.133 545 L HN 0.063 nan 8.230 nan 0.000 0.483 546 D N 4.998 125.283 120.400 -0.190 0.000 2.499 546 D HA 0.206 4.846 4.640 -0.001 0.000 0.225 546 D C 0.346 176.480 176.300 -0.276 0.000 1.124 546 D CA -0.250 53.646 54.000 -0.173 0.000 0.938 546 D CB 0.735 41.479 40.800 -0.094 0.000 1.014 546 D HN 0.410 nan 8.370 nan 0.000 0.517 547 L N 2.457 123.442 121.223 -0.397 0.000 2.728 547 L HA 0.046 4.386 4.340 -0.001 0.000 0.235 547 L C 2.272 179.022 176.870 -0.200 0.000 1.197 547 L CA -0.253 54.207 54.840 -0.634 0.000 0.992 547 L CB -0.227 41.323 42.059 -0.848 0.000 1.263 547 L HN 0.206 nan 8.230 nan 0.000 0.484 548 S N 0.525 116.169 115.700 -0.093 0.000 2.369 548 S HA -0.202 4.268 4.470 -0.001 0.000 0.225 548 S C 1.777 176.411 174.600 0.056 0.000 1.043 548 S CA 1.482 59.676 58.200 -0.009 0.000 1.074 548 S CB -0.879 62.313 63.200 -0.014 0.000 0.962 548 S HN 0.471 nan 8.310 nan 0.000 0.433 549 G N -1.393 107.443 108.800 0.060 0.000 3.314 549 G HA2 0.246 4.205 3.960 -0.001 0.000 0.238 549 G HA3 0.246 4.205 3.960 -0.001 0.000 0.238 549 G C 0.513 175.514 174.900 0.168 0.000 1.184 549 G CA -0.353 44.792 45.100 0.075 0.000 0.806 549 G HN 0.488 nan 8.290 nan 0.000 0.536 550 W N 0.304 121.485 121.300 -0.198 0.000 2.409 550 W HA 0.297 4.957 4.660 -0.000 0.000 0.299 550 W C 0.241 176.348 176.519 -0.686 0.000 1.203 550 W CA 0.432 57.454 57.345 -0.538 0.000 1.298 550 W CB -0.020 28.954 29.460 -0.810 0.000 1.127 550 W HN 0.098 nan 8.180 nan 0.000 0.528 551 F N -0.508 119.616 119.950 0.291 0.000 2.660 551 F HA 0.319 4.845 4.527 -0.001 0.000 0.352 551 F C 0.384 176.317 175.800 0.221 0.000 1.257 551 F CA -0.596 57.573 58.000 0.281 0.000 1.200 551 F CB 0.147 39.279 39.000 0.220 0.000 1.473 551 F HN -0.405 nan 8.300 nan 0.000 0.561 552 V N 0.145 120.269 119.914 0.349 0.000 3.137 552 V HA 0.673 4.793 4.120 -0.001 0.000 0.236 552 V C 0.694 176.931 176.094 0.240 0.000 1.260 552 V CA 0.570 63.016 62.300 0.242 0.000 1.244 552 V CB 0.708 32.650 31.823 0.200 0.000 1.016 552 V HN 0.483 nan 8.190 nan 0.000 0.477 553 A N -0.673 122.250 122.820 0.172 0.000 2.586 553 A HA 0.759 5.078 4.320 -0.001 0.000 0.290 553 A C -0.327 176.916 177.584 -0.569 0.000 1.086 553 A CA 0.103 52.107 52.037 -0.055 0.000 0.665 553 A CB 0.804 19.668 19.000 -0.227 0.000 1.279 553 A HN 0.412 nan 8.150 nan 0.000 0.423 554 G N -1.375 106.733 108.800 -1.154 0.000 2.400 554 G HA2 0.539 4.499 3.960 -0.001 0.000 0.301 554 G HA3 0.539 4.499 3.960 -0.001 0.000 0.301 554 G C -0.844 173.387 174.900 -1.116 0.000 1.154 554 G CA -0.070 44.019 45.100 -1.686 0.000 0.852 554 G HN 0.642 nan 8.290 nan 0.000 0.511 555 Y N 0.421 120.519 120.300 -0.336 0.000 2.809 555 Y HA 0.280 4.830 4.550 -0.000 0.000 0.251 555 Y C 1.287 177.125 175.900 -0.103 0.000 1.136 555 Y CA -0.837 57.171 58.100 -0.152 0.000 1.185 555 Y CB 0.428 38.845 38.460 -0.072 0.000 1.260 555 Y HN 0.512 nan 8.280 nan 0.000 0.576 556 S N 0.970 116.653 115.700 -0.028 0.000 2.673 556 S HA 0.276 4.745 4.470 -0.001 0.000 0.308 556 S C 1.486 176.116 174.600 0.049 0.000 1.246 556 S CA 1.542 59.757 58.200 0.025 0.000 1.077 556 S CB -0.166 63.050 63.200 0.027 0.000 0.814 556 S HN 1.087 nan 8.310 nan 0.000 0.503 557 G N 3.689 112.519 108.800 0.050 0.000 2.189 557 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.267 557 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.267 557 G C 0.883 175.820 174.900 0.061 0.000 0.975 557 G CA 0.435 45.567 45.100 0.053 0.000 0.644 557 G HN 1.364 nan 8.290 nan 0.000 0.537 558 G N -0.076 108.769 108.800 0.076 0.000 2.848 558 G HA2 0.328 4.288 3.960 -0.001 0.000 0.208 558 G HA3 0.328 4.288 3.960 -0.001 0.000 0.208 558 G C 0.530 175.457 174.900 0.045 0.000 1.152 558 G CA 1.131 46.293 45.100 0.103 0.000 0.789 558 G HN 1.317 nan 8.290 nan 0.000 0.531 559 D N -0.530 119.864 120.400 -0.010 0.000 2.737 559 D HA -0.163 4.477 4.640 -0.001 0.000 0.238 559 D C -0.243 175.990 176.300 -0.111 0.000 1.157 559 D CA 0.333 54.295 54.000 -0.064 0.000 0.694 559 D CB -1.112 39.660 40.800 -0.045 0.000 1.021 559 D HN 0.077 nan 8.370 nan 0.000 0.420 560 I N 1.691 122.159 120.570 -0.171 0.000 2.474 560 I HA 0.415 4.584 4.170 -0.001 0.000 0.294 560 I C -0.063 175.806 176.117 -0.414 0.000 1.005 560 I CA -0.777 60.310 61.300 -0.355 0.000 1.113 560 I CB 1.325 38.995 38.000 -0.550 0.000 1.289 560 I HN 0.158 nan 8.210 nan 0.000 0.436 561 Y N 5.731 125.625 120.300 -0.677 0.000 2.536 561 Y HA 0.593 5.143 4.550 -0.001 0.000 0.347 561 Y C -1.205 174.181 175.900 -0.857 0.000 1.000 561 Y CA -0.648 57.062 58.100 -0.651 0.000 1.051 561 Y CB 1.716 39.937 38.460 -0.398 0.000 1.259 561 Y HN 0.615 nan 8.280 nan 0.000 0.468 562 H N 1.392 119.563 119.070 -1.500 0.000 2.954 562 H HA 0.487 5.043 4.556 -0.001 0.000 0.361 562 H C -1.295 173.389 175.328 -1.073 0.000 1.122 562 H CA -1.004 54.393 56.048 -1.085 0.000 1.217 562 H CB 1.978 31.248 29.762 -0.820 0.000 1.776 562 H HN 0.543 nan 8.280 nan 0.000 0.533 563 S N 2.963 118.411 115.700 -0.420 0.000 2.438 563 S HA 0.195 4.664 4.470 -0.001 0.000 0.316 563 S C -0.169 174.443 174.600 0.019 0.000 1.084 563 S CA -0.659 57.438 58.200 -0.171 0.000 1.107 563 S CB 0.825 64.012 63.200 -0.022 0.000 0.981 563 S HN 0.341 nan 8.310 nan 0.000 0.466 564 L N 0.000 121.290 121.223 0.111 0.000 2.949 564 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 564 L CA 0.000 54.940 54.840 0.167 0.000 0.813 564 L CB 0.000 42.205 42.059 0.243 0.000 0.961 564 L HN 0.000 nan 8.230 nan 0.000 0.502