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 2c5f_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN ATA 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.646 174.600 0.076 0.000 1.055 4 S CA 0.000 58.230 58.200 0.050 0.000 1.107 4 S CB 0.000 63.228 63.200 0.046 0.000 0.593 5 E N 2.256 122.504 120.200 0.081 0.000 2.204 5 E HA 0.013 4.362 4.350 -0.001 0.000 0.194 5 E C 1.065 177.781 176.600 0.194 0.000 0.989 5 E CA 0.939 57.413 56.400 0.122 0.000 0.824 5 E CB -0.032 29.731 29.700 0.105 0.000 0.756 5 E HN 0.701 nan 8.360 nan 0.000 0.477 6 L N 0.990 122.292 121.223 0.133 0.000 2.591 6 L HA 0.129 4.468 4.340 -0.001 0.000 0.228 6 L C 0.243 177.267 176.870 0.257 0.000 1.133 6 L CA -0.299 54.607 54.840 0.111 0.000 0.880 6 L CB 0.236 42.270 42.059 -0.040 0.000 1.033 6 L HN 0.129 nan 8.230 nan 0.000 0.450 7 L N 0.587 121.951 121.223 0.234 0.000 2.296 7 L HA 0.559 4.899 4.340 -0.001 0.000 0.286 7 L C -0.656 176.313 176.870 0.164 0.000 1.023 7 L CA -0.309 54.660 54.840 0.215 0.000 0.812 7 L CB 1.697 43.828 42.059 0.120 0.000 1.223 7 L HN -0.325 nan 8.230 nan 0.000 0.421 8 V N 4.429 124.421 119.914 0.131 0.000 2.686 8 V HA 0.455 4.575 4.120 -0.001 0.000 0.306 8 V C -0.718 175.299 176.094 -0.128 0.000 1.065 8 V CA -0.836 61.382 62.300 -0.137 0.000 0.894 8 V CB 2.075 33.544 31.823 -0.591 0.000 1.004 8 V HN 0.802 nan 8.190 nan 0.000 0.424 9 N N 2.722 121.283 118.700 -0.230 0.000 2.419 9 N HA 0.664 5.404 4.740 -0.001 0.000 0.277 9 N C -0.227 174.966 175.510 -0.529 0.000 1.006 9 N CA -0.042 52.850 53.050 -0.264 0.000 0.923 9 N CB 1.638 39.971 38.487 -0.256 0.000 1.140 9 N HN 0.923 nan 8.380 nan 0.000 0.488 10 T N -0.125 114.199 114.554 -0.383 0.000 2.910 10 T HA 0.390 4.740 4.350 -0.001 0.000 0.287 10 T C 0.848 175.289 174.700 -0.431 0.000 1.050 10 T CA -0.664 61.163 62.100 -0.455 0.000 1.011 10 T CB 1.109 69.973 68.868 -0.006 0.000 1.195 10 T HN 0.404 nan 8.240 nan 0.000 0.540 11 K N 0.196 120.395 120.400 -0.335 0.000 2.362 11 K HA 0.032 4.352 4.320 -0.001 0.000 0.200 11 K C 1.882 178.332 176.600 -0.250 0.000 1.046 11 K CA 0.934 57.073 56.287 -0.247 0.000 0.952 11 K CB -0.077 32.342 32.500 -0.136 0.000 0.753 11 K HN 0.432 nan 8.250 nan 0.000 0.466 12 S N -0.380 115.150 115.700 -0.283 0.000 2.517 12 S HA 0.197 4.666 4.470 -0.001 0.000 0.214 12 S C 0.510 174.400 174.600 -1.183 0.000 0.991 12 S CA 0.234 58.137 58.200 -0.495 0.000 0.906 12 S CB 1.018 64.097 63.200 -0.201 0.000 0.789 12 S HN 0.542 nan 8.310 nan 0.000 0.513 13 G N 0.957 109.250 108.800 -0.845 0.000 2.369 13 G HA2 0.148 4.108 3.960 -0.001 0.000 0.295 13 G HA3 0.148 4.108 3.960 -0.001 0.000 0.295 13 G C -1.842 172.988 174.900 -0.116 0.000 1.298 13 G CA -1.112 43.503 45.100 -0.808 0.000 0.940 13 G HN 0.088 nan 8.290 nan 0.000 0.536 14 K N -0.480 120.055 120.400 0.225 0.000 2.118 14 K HA 0.656 4.976 4.320 -0.001 0.000 0.267 14 K C 0.118 177.090 176.600 0.620 0.000 0.991 14 K CA -0.534 55.954 56.287 0.334 0.000 0.916 14 K CB 1.955 34.584 32.500 0.215 0.000 1.041 14 K HN 1.053 nan 8.250 nan 0.000 0.455 15 V N 0.028 120.242 119.914 0.501 0.000 2.735 15 V HA 0.596 4.716 4.120 -0.001 0.000 0.310 15 V C -0.955 175.434 176.094 0.490 0.000 1.061 15 V CA -1.097 61.549 62.300 0.576 0.000 0.913 15 V CB 1.709 33.936 31.823 0.674 0.000 1.005 15 V HN 0.744 nan 8.190 nan 0.000 0.428 16 M N 5.071 124.906 119.600 0.392 0.000 2.066 16 M HA 0.804 5.284 4.480 -0.001 0.000 0.340 16 M C 0.364 176.740 176.300 0.126 0.000 1.053 16 M CA -0.006 55.441 55.300 0.245 0.000 0.983 16 M CB 0.429 33.105 32.600 0.126 0.000 1.520 16 M HN 1.121 nan 8.290 nan 0.000 0.428 17 G N 1.979 110.727 108.800 -0.087 0.000 2.485 17 G HA2 0.502 4.461 3.960 -0.001 0.000 0.260 17 G HA3 0.502 4.461 3.960 -0.001 0.000 0.260 17 G C -0.927 173.743 174.900 -0.383 0.000 1.459 17 G CA -0.191 44.502 45.100 -0.677 0.000 1.060 17 G HN 0.713 nan 8.290 nan 0.000 0.546 18 T N -1.505 112.790 114.554 -0.432 0.000 3.041 18 T HA 0.440 4.790 4.350 -0.001 0.000 0.321 18 T C -0.665 173.920 174.700 -0.191 0.000 1.184 18 T CA -0.663 61.294 62.100 -0.238 0.000 1.050 18 T CB 1.266 70.020 68.868 -0.190 0.000 1.159 18 T HN 0.577 nan 8.240 nan 0.000 0.469 19 R N 3.373 123.805 120.500 -0.114 0.000 2.347 19 R HA 0.600 4.939 4.340 -0.001 0.000 0.304 19 R C -1.004 175.308 176.300 0.020 0.000 1.072 19 R CA -0.221 55.851 56.100 -0.047 0.000 0.980 19 R CB 0.324 30.579 30.300 -0.075 0.000 0.986 19 R HN 0.450 nan 8.270 nan 0.000 0.448 20 V N 7.592 127.559 119.914 0.088 0.000 2.540 20 V HA 0.432 4.552 4.120 -0.001 0.000 0.302 20 V C -2.115 174.049 176.094 0.117 0.000 1.035 20 V CA -1.952 60.405 62.300 0.095 0.000 0.873 20 V CB 1.938 33.800 31.823 0.065 0.000 0.992 20 V HN 0.855 nan 8.190 nan 0.000 0.428 21 P HA 0.332 nan 4.420 nan 0.000 0.285 21 P C -1.097 176.015 177.300 -0.313 0.000 1.259 21 P CA -0.193 62.678 63.100 -0.381 0.000 0.794 21 P CB 2.129 33.673 31.700 -0.260 0.000 0.940 22 V N 5.999 125.653 119.914 -0.434 0.000 2.610 22 V HA 0.205 4.325 4.120 -0.001 0.000 0.298 22 V C -0.061 175.769 176.094 -0.441 0.000 1.067 22 V CA -0.889 61.183 62.300 -0.380 0.000 0.894 22 V CB 0.662 32.228 31.823 -0.427 0.000 1.015 22 V HN 0.500 nan 8.190 nan 0.000 0.432 23 L N 6.249 127.360 121.223 -0.186 0.000 3.823 23 L HA -0.185 4.154 4.340 -0.001 0.000 0.525 23 L C 0.898 177.653 176.870 -0.191 0.000 1.247 23 L CA 0.893 55.655 54.840 -0.130 0.000 0.776 23 L CB -1.655 40.379 42.059 -0.042 0.000 1.443 23 L HN 1.619 nan 8.230 nan 0.000 0.831 24 S N -2.133 113.457 115.700 -0.184 0.000 3.631 24 S HA -0.193 4.277 4.470 -0.001 0.000 0.366 24 S C 0.080 174.559 174.600 -0.202 0.000 0.993 24 S CA 1.217 59.323 58.200 -0.156 0.000 1.167 24 S CB -1.090 62.070 63.200 -0.066 0.000 0.909 24 S HN 1.171 nan 8.310 nan 0.000 0.478 25 S N -0.195 115.269 115.700 -0.394 0.000 2.755 25 S HA 0.738 5.208 4.470 -0.001 0.000 0.286 25 S C -1.790 172.432 174.600 -0.631 0.000 1.207 25 S CA -0.541 57.443 58.200 -0.359 0.000 0.892 25 S CB 1.124 64.096 63.200 -0.380 0.000 1.240 25 S HN 0.707 nan 8.310 nan 0.000 0.525 26 H N 0.394 119.387 119.070 -0.128 0.000 3.012 26 H HA 0.674 5.230 4.556 -0.001 0.000 0.367 26 H C -0.821 174.515 175.328 0.013 0.000 1.211 26 H CA -0.214 55.794 56.048 -0.067 0.000 1.139 26 H CB 1.582 31.329 29.762 -0.025 0.000 1.838 26 H HN 0.813 nan 8.280 nan 0.000 0.550 27 I N -1.768 118.900 120.570 0.165 0.000 3.195 27 I HA 0.563 4.732 4.170 -0.001 0.000 0.313 27 I C -0.763 175.453 176.117 0.164 0.000 1.237 27 I CA -0.889 60.527 61.300 0.194 0.000 0.963 27 I CB 2.394 40.536 38.000 0.237 0.000 1.278 27 I HN 0.262 nan 8.210 nan 0.000 0.460 28 S N 1.551 117.360 115.700 0.182 0.000 2.585 28 S HA 0.816 5.285 4.470 -0.001 0.000 0.277 28 S C -0.248 174.383 174.600 0.052 0.000 1.241 28 S CA -0.461 57.788 58.200 0.082 0.000 1.041 28 S CB 1.456 64.773 63.200 0.194 0.000 0.987 28 S HN 0.857 nan 8.310 nan 0.000 0.512 29 A N 2.170 124.845 122.820 -0.242 0.000 2.381 29 A HA 0.751 5.071 4.320 -0.001 0.000 0.299 29 A C -1.406 175.863 177.584 -0.525 0.000 1.049 29 A CA -0.617 51.214 52.037 -0.343 0.000 0.715 29 A CB 0.496 19.291 19.000 -0.341 0.000 1.222 29 A HN 0.642 nan 8.150 nan 0.000 0.428 30 F N 3.101 122.916 119.950 -0.224 0.000 2.359 30 F HA 0.449 4.976 4.527 -0.001 0.000 0.369 30 F C -0.097 175.593 175.800 -0.183 0.000 1.084 30 F CA -0.418 57.532 58.000 -0.084 0.000 1.096 30 F CB 1.136 40.182 39.000 0.078 0.000 1.335 30 F HN 0.375 nan 8.300 nan 0.000 0.457 31 L N 2.030 123.211 121.223 -0.070 0.000 2.325 31 L HA 0.678 5.018 4.340 -0.001 0.000 0.279 31 L C 1.065 177.982 176.870 0.077 0.000 1.054 31 L CA -0.914 53.893 54.840 -0.055 0.000 0.804 31 L CB 1.332 43.286 42.059 -0.175 0.000 1.200 31 L HN 0.817 nan 8.230 nan 0.000 0.436 32 G N 2.981 111.848 108.800 0.112 0.000 2.225 32 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.264 32 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.264 32 G C -0.077 174.934 174.900 0.185 0.000 1.060 32 G CA -0.337 44.828 45.100 0.109 0.000 0.833 32 G HN 0.494 nan 8.290 nan 0.000 0.498 33 I N 2.315 122.910 120.570 0.041 0.000 2.452 33 I HA 0.208 4.378 4.170 -0.001 0.000 0.287 33 I C -1.295 174.616 176.117 -0.344 0.000 1.079 33 I CA -2.019 59.121 61.300 -0.268 0.000 1.387 33 I CB 1.037 38.861 38.000 -0.292 0.000 1.404 33 I HN 0.006 nan 8.210 nan 0.000 0.522 34 P HA 0.036 nan 4.420 nan 0.000 0.276 34 P C -0.345 176.592 177.300 -0.605 0.000 1.230 34 P CA 0.044 62.669 63.100 -0.791 0.000 0.776 34 P CB 0.681 31.822 31.700 -0.933 0.000 0.888 35 F N 0.690 120.299 119.950 -0.569 0.000 2.798 35 F HA 0.746 5.272 4.527 -0.001 0.000 0.328 35 F C -0.198 175.493 175.800 -0.182 0.000 1.098 35 F CA -0.945 56.784 58.000 -0.452 0.000 1.172 35 F CB 0.076 38.781 39.000 -0.490 0.000 1.072 35 F HN 0.399 nan 8.300 nan 0.000 0.555 36 A N -0.015 122.497 122.820 -0.514 0.000 2.610 36 A HA 0.603 4.922 4.320 -0.001 0.000 0.291 36 A C -1.025 176.375 177.584 -0.308 0.000 1.086 36 A CA -0.769 51.097 52.037 -0.285 0.000 0.677 36 A CB 1.010 19.825 19.000 -0.307 0.000 1.278 36 A HN 0.049 nan 8.150 nan 0.000 0.414 37 E N 0.907 121.018 120.200 -0.149 0.000 2.373 37 E HA 0.276 4.625 4.350 -0.001 0.000 0.267 37 E C -2.353 174.154 176.600 -0.154 0.000 1.032 37 E CA -1.483 54.849 56.400 -0.112 0.000 0.889 37 E CB 0.177 29.855 29.700 -0.037 0.000 0.984 37 E HN 0.220 nan 8.360 nan 0.000 0.425 38 P HA -0.006 nan 4.420 nan 0.000 0.256 38 P C -2.137 175.110 177.300 -0.089 0.000 1.189 38 P CA -0.637 62.392 63.100 -0.118 0.000 0.808 38 P CB -0.062 31.608 31.700 -0.049 0.000 0.793 39 P HA -0.053 nan 4.420 nan 0.000 0.246 39 P C -0.050 177.202 177.300 -0.079 0.000 1.675 39 P CA 0.364 63.417 63.100 -0.078 0.000 0.908 39 P CB -0.276 31.378 31.700 -0.076 0.000 1.890 40 V N -3.217 116.658 119.914 -0.065 0.000 3.193 40 V HA 0.874 4.994 4.120 -0.001 0.000 0.320 40 V C 1.072 177.136 176.094 -0.051 0.000 1.112 40 V CA 0.075 62.337 62.300 -0.063 0.000 1.026 40 V CB 0.576 32.371 31.823 -0.046 0.000 1.128 40 V HN 0.511 nan 8.190 nan 0.000 0.452 41 G N 2.687 111.458 108.800 -0.048 0.000 2.591 41 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.298 41 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.298 41 G C 0.473 175.353 174.900 -0.033 0.000 1.195 41 G CA 1.243 46.325 45.100 -0.031 0.000 0.989 41 G HN 1.995 nan 8.290 nan 0.000 0.551 42 N N 0.714 119.412 118.700 -0.003 0.000 2.550 42 N HA 0.131 4.870 4.740 -0.001 0.000 0.186 42 N C 1.963 177.477 175.510 0.006 0.000 1.110 42 N CA 1.874 54.934 53.050 0.018 0.000 0.912 42 N CB -0.122 38.387 38.487 0.037 0.000 0.968 42 N HN 0.592 nan 8.380 nan 0.000 0.448 43 M N -0.394 119.194 119.600 -0.020 0.000 2.556 43 M HA 0.066 4.545 4.480 -0.001 0.000 0.245 43 M C 0.691 176.955 176.300 -0.061 0.000 1.128 43 M CA -0.118 55.169 55.300 -0.022 0.000 1.069 43 M CB 0.063 32.648 32.600 -0.024 0.000 1.469 43 M HN 0.170 nan 8.290 nan 0.000 0.494 44 R N 0.857 121.270 120.500 -0.145 0.000 2.484 44 R HA -0.047 4.292 4.340 -0.001 0.000 0.293 44 R C -0.482 175.608 176.300 -0.350 0.000 1.023 44 R CA 0.659 56.538 56.100 -0.368 0.000 1.037 44 R CB 0.124 30.061 30.300 -0.606 0.000 0.951 44 R HN 0.230 nan 8.270 nan 0.000 0.418 45 F N -0.219 119.733 119.950 0.004 0.000 2.397 45 F HA -0.265 4.262 4.527 -0.001 0.000 0.438 45 F C 0.463 176.247 175.800 -0.026 0.000 0.555 45 F CA 0.663 58.643 58.000 -0.034 0.000 1.561 45 F CB -1.450 37.518 39.000 -0.053 0.000 2.188 45 F HN 0.626 nan 8.300 nan 0.000 0.267 46 R N 1.063 121.634 120.500 0.118 0.000 2.577 46 R HA 0.540 4.880 4.340 -0.001 0.000 0.269 46 R C 0.698 177.028 176.300 0.049 0.000 1.084 46 R CA -0.873 55.273 56.100 0.076 0.000 1.163 46 R CB 0.607 30.937 30.300 0.051 0.000 1.100 46 R HN 0.078 nan 8.270 nan 0.000 0.547 47 R N 1.925 122.453 120.500 0.046 0.000 2.679 47 R HA 0.085 4.425 4.340 -0.001 0.000 0.268 47 R C -1.917 174.407 176.300 0.041 0.000 1.044 47 R CA -1.121 55.006 56.100 0.044 0.000 1.105 47 R CB 0.003 30.334 30.300 0.051 0.000 0.989 47 R HN 0.415 nan 8.270 nan 0.000 0.447 48 P HA 0.045 nan 4.420 nan 0.000 0.275 48 P C -0.914 176.418 177.300 0.053 0.000 1.228 48 P CA 0.068 63.196 63.100 0.048 0.000 0.786 48 P CB 0.908 32.661 31.700 0.089 0.000 0.927 49 E N 3.123 123.342 120.200 0.032 0.000 2.191 49 E HA 0.345 4.694 4.350 -0.001 0.000 0.274 49 E C -2.150 174.480 176.600 0.051 0.000 0.948 49 E CA -2.274 54.150 56.400 0.040 0.000 0.802 49 E CB 1.103 30.818 29.700 0.026 0.000 1.137 49 E HN 0.391 nan 8.360 nan 0.000 0.397 50 P HA -0.000 nan 4.420 nan 0.000 0.268 50 P C -0.204 177.148 177.300 0.086 0.000 1.205 50 P CA -0.311 62.856 63.100 0.112 0.000 0.771 50 P CB 0.643 32.417 31.700 0.124 0.000 0.858 51 K N 3.332 123.790 120.400 0.096 0.000 2.447 51 K HA 0.032 4.352 4.320 -0.001 0.000 0.281 51 K C -0.128 176.555 176.600 0.139 0.000 1.031 51 K CA 0.302 56.640 56.287 0.085 0.000 1.019 51 K CB -0.186 32.359 32.500 0.074 0.000 0.918 51 K HN 0.199 nan 8.250 nan 0.000 0.476 52 K N 6.128 126.606 120.400 0.130 0.000 2.412 52 K HA 0.123 4.443 4.320 -0.001 0.000 0.281 52 K C -2.232 174.467 176.600 0.165 0.000 1.027 52 K CA -1.428 54.933 56.287 0.123 0.000 0.989 52 K CB 0.285 32.852 32.500 0.111 0.000 0.935 52 K HN 0.509 nan 8.250 nan 0.000 0.475 53 P HA -0.095 nan 4.420 nan 0.000 0.265 53 P C -1.277 176.043 177.300 0.033 0.000 1.187 53 P CA 0.059 63.088 63.100 -0.119 0.000 0.766 53 P CB 0.267 31.873 31.700 -0.156 0.000 0.820 54 W N 1.076 122.448 121.300 0.120 0.000 2.706 54 W HA 0.720 5.380 4.660 -0.001 0.000 0.346 54 W C -0.861 175.733 176.519 0.125 0.000 1.071 54 W CA -0.797 56.637 57.345 0.148 0.000 1.206 54 W CB 0.191 29.803 29.460 0.254 0.000 1.413 54 W HN 0.114 nan 8.180 nan 0.000 0.542 55 S N 1.353 117.250 115.700 0.329 0.000 2.672 55 S HA 0.746 5.216 4.470 -0.001 0.000 0.276 55 S C 0.512 175.312 174.600 0.333 0.000 1.207 55 S CA 0.584 58.915 58.200 0.218 0.000 1.002 55 S CB 0.835 64.120 63.200 0.140 0.000 0.998 55 S HN 1.476 nan 8.310 nan 0.000 0.542 56 G N 0.135 109.074 108.800 0.231 0.000 2.693 56 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.226 56 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.226 56 G C -0.869 174.229 174.900 0.330 0.000 1.354 56 G CA -0.461 44.773 45.100 0.222 0.000 0.873 56 G HN 0.918 nan 8.290 nan 0.000 0.562 57 V N 0.855 120.914 119.914 0.241 0.000 2.427 57 V HA 0.544 4.664 4.120 -0.001 0.000 0.286 57 V C 0.323 176.541 176.094 0.208 0.000 1.034 57 V CA -0.503 61.962 62.300 0.275 0.000 0.893 57 V CB 1.806 33.729 31.823 0.166 0.000 0.982 57 V HN 0.718 nan 8.190 nan 0.000 0.452 58 W N 5.066 126.433 121.300 0.112 0.000 2.322 58 W HA 0.308 4.967 4.660 -0.001 0.000 0.307 58 W C 0.066 176.565 176.519 -0.034 0.000 1.220 58 W CA -0.674 56.584 57.345 -0.145 0.000 1.210 58 W CB 1.076 30.260 29.460 -0.460 0.000 1.223 58 W HN 0.645 nan 8.180 nan 0.000 0.511 59 N N 4.605 123.060 118.700 -0.408 0.000 2.402 59 N HA 0.206 4.946 4.740 -0.001 0.000 0.259 59 N C -0.299 175.208 175.510 -0.004 0.000 1.167 59 N CA 0.203 53.145 53.050 -0.180 0.000 0.949 59 N CB 0.773 39.098 38.487 -0.270 0.000 1.212 59 N HN 0.358 nan 8.380 nan 0.000 0.493 60 A N 2.667 125.605 122.820 0.196 0.000 3.264 60 A HA 0.206 4.525 4.320 -0.001 0.000 0.299 60 A C 1.057 178.653 177.584 0.020 0.000 1.272 60 A CA -0.370 51.803 52.037 0.227 0.000 1.030 60 A CB -0.524 18.704 19.000 0.381 0.000 1.102 60 A HN 0.632 nan 8.150 nan 0.000 0.615 61 S N -0.946 114.726 115.700 -0.047 0.000 2.511 61 S HA 0.153 4.623 4.470 -0.001 0.000 0.214 61 S C 0.792 175.305 174.600 -0.144 0.000 0.997 61 S CA 0.618 58.748 58.200 -0.117 0.000 0.908 61 S CB -0.223 62.913 63.200 -0.107 0.000 0.803 61 S HN 0.834 nan 8.310 nan 0.000 0.504 62 T N -0.983 113.502 114.554 -0.114 0.000 2.903 62 T HA 0.632 4.981 4.350 -0.001 0.000 0.299 62 T C -0.891 173.781 174.700 -0.046 0.000 1.093 62 T CA -0.780 61.246 62.100 -0.123 0.000 1.002 62 T CB 0.720 69.536 68.868 -0.085 0.000 1.127 62 T HN 0.047 nan 8.240 nan 0.000 0.488 63 Y N 2.961 123.232 120.300 -0.049 0.000 2.683 63 Y HA 0.282 4.832 4.550 -0.001 0.000 0.340 63 Y C -1.419 174.420 175.900 -0.102 0.000 1.245 63 Y CA -1.295 56.778 58.100 -0.045 0.000 1.485 63 Y CB 0.039 38.495 38.460 -0.006 0.000 1.328 63 Y HN 0.540 nan 8.280 nan 0.000 0.603 64 P HA 0.122 nan 4.420 nan 0.000 0.293 64 P C -0.832 176.388 177.300 -0.133 0.000 1.304 64 P CA -0.502 62.468 63.100 -0.216 0.000 0.767 64 P CB 1.146 32.597 31.700 -0.416 0.000 1.247 65 N N -0.778 117.816 118.700 -0.177 0.000 2.354 65 N HA 0.115 4.854 4.740 -0.001 0.000 0.246 65 N C 0.008 175.491 175.510 -0.046 0.000 1.285 65 N CA -0.156 52.842 53.050 -0.086 0.000 0.925 65 N CB 0.046 38.493 38.487 -0.066 0.000 1.174 65 N HN 0.426 nan 8.380 nan 0.000 0.478 66 N N -0.741 117.925 118.700 -0.057 0.000 2.430 66 N HA 0.356 5.096 4.740 -0.001 0.000 0.298 66 N C -0.936 174.535 175.510 -0.065 0.000 1.130 66 N CA -0.811 52.200 53.050 -0.065 0.000 0.894 66 N CB 1.277 39.703 38.487 -0.101 0.000 1.209 66 N HN 0.379 nan 8.380 nan 0.000 0.503 67 c N 1.248 119.811 118.600 -0.062 0.000 2.689 67 c HA 0.053 4.623 4.570 -0.001 0.000 0.409 67 c C 0.625 174.628 174.090 -0.145 0.000 1.293 67 c CA -0.569 55.701 56.329 -0.099 0.000 2.136 67 c CB -0.081 42.397 42.510 -0.054 0.000 2.719 67 c HN 0.529 nan 8.230 nan 0.000 0.644 68 Q N 2.572 122.190 119.800 -0.303 0.000 2.274 68 Q HA 0.194 4.534 4.340 -0.001 0.000 0.280 68 Q C -0.034 175.919 176.000 -0.079 0.000 1.047 68 Q CA 1.004 56.611 55.803 -0.327 0.000 0.907 68 Q CB 0.365 28.599 28.738 -0.840 0.000 1.171 68 Q HN 0.887 nan 8.270 nan 0.000 0.381 69 Q N 1.380 121.236 119.800 0.093 0.000 2.575 69 Q HA 0.331 4.671 4.340 -0.001 0.000 0.290 69 Q C -1.295 174.902 176.000 0.328 0.000 0.963 69 Q CA -1.039 54.922 55.803 0.263 0.000 0.783 69 Q CB 0.817 29.669 28.738 0.190 0.000 1.467 69 Q HN 0.473 nan 8.270 nan 0.000 0.402 70 Y N 1.049 121.560 120.300 0.352 0.000 2.511 70 Y HA 0.396 4.946 4.550 -0.001 0.000 0.332 70 Y C -1.071 175.018 175.900 0.316 0.000 1.177 70 Y CA 0.117 58.448 58.100 0.385 0.000 1.422 70 Y CB 0.961 39.774 38.460 0.589 0.000 1.271 70 Y HN 0.436 nan 8.280 nan 0.000 0.550 71 V N 6.506 126.161 119.914 -0.431 0.000 2.417 71 V HA 0.125 4.245 4.120 -0.001 0.000 0.291 71 V C -0.649 175.114 176.094 -0.553 0.000 1.024 71 V CA -1.028 61.088 62.300 -0.307 0.000 0.861 71 V CB 1.411 33.148 31.823 -0.143 0.000 0.985 71 V HN 0.776 nan 8.190 nan 0.000 0.436 72 D N 3.847 124.155 120.400 -0.154 0.000 2.346 72 D HA 0.114 4.754 4.640 -0.001 0.000 0.260 72 D C 0.565 176.901 176.300 0.060 0.000 1.252 72 D CA 0.277 54.307 54.000 0.049 0.000 0.895 72 D CB 0.758 41.759 40.800 0.336 0.000 1.097 72 D HN 0.679 nan 8.370 nan 0.000 0.489 73 E N 2.630 122.831 120.200 0.000 0.000 2.685 73 E HA -0.019 4.331 4.350 -0.001 0.000 0.208 73 E C 0.755 177.326 176.600 -0.049 0.000 0.996 73 E CA -0.165 56.234 56.400 -0.000 0.000 1.054 73 E CB 0.656 30.333 29.700 -0.037 0.000 1.075 73 E HN 0.354 nan 8.360 nan 0.000 0.460 74 Q N -0.058 119.690 119.800 -0.087 0.000 2.224 74 Q HA -0.055 4.285 4.340 -0.001 0.000 0.203 74 Q C -0.322 175.157 176.000 -0.868 0.000 0.970 74 Q CA 1.266 56.769 55.803 -0.499 0.000 0.865 74 Q CB 0.226 28.572 28.738 -0.653 0.000 0.922 74 Q HN 0.162 nan 8.270 nan 0.000 0.445 75 F N -0.071 119.938 119.950 0.098 0.000 2.710 75 F HA 0.406 4.932 4.527 -0.001 0.000 0.345 75 F C -2.283 173.583 175.800 0.110 0.000 1.362 75 F CA -2.910 55.125 58.000 0.059 0.000 1.175 75 F CB 1.123 40.147 39.000 0.039 0.000 1.561 75 F HN -0.166 nan 8.300 nan 0.000 0.593 76 P HA 0.123 nan 4.420 nan 0.000 0.260 76 P C 1.037 178.416 177.300 0.132 0.000 1.172 76 P CA 1.589 64.758 63.100 0.115 0.000 0.760 76 P CB 0.592 32.326 31.700 0.056 0.000 0.773 77 G N 2.766 111.633 108.800 0.112 0.000 2.253 77 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.251 77 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.251 77 G C 0.049 175.018 174.900 0.115 0.000 0.998 77 G CA -0.439 44.712 45.100 0.084 0.000 0.621 77 G HN 0.530 nan 8.290 nan 0.000 0.524 78 F N 3.298 123.245 119.950 -0.004 0.000 2.467 78 F HA 0.515 5.042 4.527 -0.001 0.000 0.362 78 F C 1.700 177.439 175.800 -0.101 0.000 1.090 78 F CA -0.050 57.897 58.000 -0.089 0.000 1.202 78 F CB 1.235 40.170 39.000 -0.109 0.000 1.113 78 F HN 0.237 nan 8.300 nan 0.000 0.541 79 S N 3.323 118.610 115.700 -0.688 0.000 2.402 79 S HA -0.068 4.402 4.470 -0.001 0.000 0.229 79 S C 2.210 176.385 174.600 -0.709 0.000 1.021 79 S CA 0.776 58.624 58.200 -0.586 0.000 0.974 79 S CB -1.146 61.766 63.200 -0.481 0.000 0.800 79 S HN 0.813 nan 8.310 nan 0.000 0.484 80 G N 1.696 109.607 108.800 -1.482 0.000 2.450 80 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.220 80 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.220 80 G C 1.697 176.778 174.900 0.301 0.000 1.130 80 G CA 1.362 45.917 45.100 -0.908 0.000 0.760 80 G HN 0.801 nan 8.290 nan 0.000 0.557 81 S N -0.460 115.415 115.700 0.292 0.000 2.502 81 S HA 0.146 4.616 4.470 -0.001 0.000 0.228 81 S C 1.758 176.643 174.600 0.474 0.000 1.061 81 S CA 0.550 59.248 58.200 0.829 0.000 0.935 81 S CB 0.007 63.824 63.200 1.028 0.000 0.809 81 S HN 0.429 nan 8.310 nan 0.000 0.510 82 E N 1.816 122.128 120.200 0.187 0.000 2.418 82 E HA 0.010 4.359 4.350 -0.001 0.000 0.197 82 E C 1.899 178.452 176.600 -0.078 0.000 1.026 82 E CA 0.948 57.389 56.400 0.070 0.000 0.862 82 E CB -0.385 29.326 29.700 0.018 0.000 0.799 82 E HN 0.831 nan 8.360 nan 0.000 0.518 83 M N -2.008 117.451 119.600 -0.234 0.000 2.557 83 M HA -0.018 4.462 4.480 -0.001 0.000 0.259 83 M C 0.981 176.907 176.300 -0.624 0.000 1.086 83 M CA 1.253 56.255 55.300 -0.497 0.000 1.096 83 M CB -0.233 31.946 32.600 -0.702 0.000 1.424 83 M HN 0.025 nan 8.290 nan 0.000 0.488 84 W N 0.862 122.112 121.300 -0.083 0.000 3.107 84 W HA 0.284 4.944 4.660 -0.001 0.000 0.293 84 W C 0.407 176.863 176.519 -0.105 0.000 1.239 84 W CA -0.908 56.361 57.345 -0.126 0.000 1.653 84 W CB -0.024 29.407 29.460 -0.048 0.000 1.068 84 W HN 0.096 nan 8.180 nan 0.000 0.615 85 N N 2.570 121.333 118.700 0.106 0.000 2.444 85 N HA 0.095 4.834 4.740 -0.001 0.000 0.255 85 N C -2.320 173.166 175.510 -0.041 0.000 1.255 85 N CA -1.393 51.687 53.050 0.050 0.000 0.933 85 N CB -0.150 38.366 38.487 0.049 0.000 1.143 85 N HN -0.249 nan 8.380 nan 0.000 0.453 86 P HA 0.041 nan 4.420 nan 0.000 0.267 86 P C -0.174 177.075 177.300 -0.084 0.000 1.209 86 P CA -0.124 62.922 63.100 -0.089 0.000 0.763 86 P CB 0.327 31.982 31.700 -0.075 0.000 0.816 87 N N 3.065 121.700 118.700 -0.108 0.000 2.235 87 N HA 0.051 4.791 4.740 -0.001 0.000 0.209 87 N C 0.342 175.814 175.510 -0.062 0.000 1.122 87 N CA -0.079 52.919 53.050 -0.086 0.000 0.845 87 N CB 0.179 38.605 38.487 -0.102 0.000 1.004 87 N HN 0.215 nan 8.380 nan 0.000 0.499 88 R N 0.064 120.524 120.500 -0.067 0.000 3.045 88 R HA 0.332 4.671 4.340 -0.001 0.000 0.245 88 R C -0.448 175.822 176.300 -0.050 0.000 1.333 88 R CA -0.713 55.357 56.100 -0.049 0.000 1.036 88 R CB 0.254 30.520 30.300 -0.056 0.000 1.340 88 R HN 0.268 nan 8.270 nan 0.000 0.488 89 E N 1.356 121.528 120.200 -0.047 0.000 2.313 89 E HA 0.196 4.545 4.350 -0.001 0.000 0.276 89 E C -0.497 176.070 176.600 -0.055 0.000 1.031 89 E CA -0.144 56.228 56.400 -0.047 0.000 0.857 89 E CB 0.763 30.436 29.700 -0.045 0.000 1.040 89 E HN 0.248 nan 8.360 nan 0.000 0.408 90 M N 2.459 122.026 119.600 -0.055 0.000 2.288 90 M HA 0.244 4.723 4.480 -0.001 0.000 0.334 90 M C -0.168 176.085 176.300 -0.079 0.000 1.150 90 M CA -0.069 55.189 55.300 -0.070 0.000 1.118 90 M CB 1.586 34.146 32.600 -0.066 0.000 1.501 90 M HN 0.467 nan 8.290 nan 0.000 0.462 91 S N 0.305 115.943 115.700 -0.104 0.000 2.580 91 S HA 0.168 4.638 4.470 -0.001 0.000 0.281 91 S C -0.025 174.486 174.600 -0.148 0.000 1.129 91 S CA -0.697 57.439 58.200 -0.107 0.000 0.862 91 S CB 1.240 64.406 63.200 -0.057 0.000 1.090 91 S HN 0.838 nan 8.310 nan 0.000 0.451 92 E N 1.075 121.166 120.200 -0.181 0.000 2.268 92 E HA -0.092 4.257 4.350 -0.001 0.000 0.195 92 E C -0.180 176.354 176.600 -0.112 0.000 0.995 92 E CA 0.601 56.874 56.400 -0.211 0.000 0.836 92 E CB 0.069 29.650 29.700 -0.198 0.000 0.763 92 E HN 0.526 nan 8.360 nan 0.000 0.491 93 D N 0.504 120.874 120.400 -0.051 0.000 2.483 93 D HA 0.001 4.641 4.640 -0.001 0.000 0.220 93 D C 0.021 176.401 176.300 0.133 0.000 1.173 93 D CA -0.317 53.695 54.000 0.020 0.000 0.964 93 D CB -0.027 40.809 40.800 0.059 0.000 1.046 93 D HN 0.137 nan 8.370 nan 0.000 0.517 94 c N 1.986 120.635 118.600 0.081 0.000 3.772 94 c HA 0.386 4.955 4.570 -0.001 0.000 0.293 94 c C 0.159 174.325 174.090 0.127 0.000 1.659 94 c CA -0.654 55.789 56.329 0.190 0.000 1.810 94 c CB -1.132 41.410 42.510 0.054 0.000 3.059 94 c HN 0.321 nan 8.230 nan 0.000 0.617 95 L N 3.207 124.247 121.223 -0.304 0.000 2.395 95 L HA 0.451 4.791 4.340 -0.001 0.000 0.268 95 L C -0.626 175.491 176.870 -1.255 0.000 1.223 95 L CA 0.484 54.890 54.840 -0.724 0.000 1.093 95 L CB -1.827 39.685 42.059 -0.911 0.000 1.349 95 L HN 0.420 nan 8.230 nan 0.000 0.427 96 Y N 1.973 122.132 120.300 -0.235 0.000 2.634 96 Y HA 0.753 5.302 4.550 -0.001 0.000 0.340 96 Y C -0.099 175.948 175.900 0.246 0.000 1.058 96 Y CA -1.510 56.544 58.100 -0.076 0.000 1.081 96 Y CB 1.662 40.086 38.460 -0.060 0.000 1.295 96 Y HN 0.213 nan 8.280 nan 0.000 0.487 97 L N -0.293 121.110 121.223 0.300 0.000 2.376 97 L HA 0.772 5.112 4.340 -0.001 0.000 0.258 97 L C -1.405 175.525 176.870 0.100 0.000 1.013 97 L CA -1.172 53.786 54.840 0.196 0.000 0.822 97 L CB 1.906 44.000 42.059 0.057 0.000 1.388 97 L HN 0.477 nan 8.230 nan 0.000 0.413 98 N N 1.472 120.234 118.700 0.103 0.000 2.269 98 N HA 0.747 5.487 4.740 -0.001 0.000 0.304 98 N C -1.325 174.124 175.510 -0.102 0.000 1.072 98 N CA -0.230 52.794 53.050 -0.044 0.000 0.802 98 N CB 2.745 41.196 38.487 -0.060 0.000 1.348 98 N HN 0.675 nan 8.380 nan 0.000 0.484 99 I N 0.268 120.695 120.570 -0.237 0.000 2.533 99 I HA 0.373 4.542 4.170 -0.001 0.000 0.290 99 I C -0.787 175.265 176.117 -0.108 0.000 1.056 99 I CA -0.708 60.544 61.300 -0.080 0.000 1.057 99 I CB 2.273 40.174 38.000 -0.166 0.000 1.240 99 I HN 0.239 nan 8.210 nan 0.000 0.423 100 W N 6.080 127.516 121.300 0.227 0.000 2.294 100 W HA 0.534 5.194 4.660 -0.001 0.000 0.314 100 W C -0.970 175.689 176.519 0.233 0.000 1.044 100 W CA -0.609 56.867 57.345 0.218 0.000 1.284 100 W CB 1.988 31.545 29.460 0.161 0.000 1.231 100 W HN 0.103 nan 8.180 nan 0.000 0.419 101 V N 5.640 125.814 119.914 0.434 0.000 2.417 101 V HA 0.285 4.404 4.120 -0.001 0.000 0.291 101 V C -1.961 174.330 176.094 0.328 0.000 1.024 101 V CA -2.386 60.144 62.300 0.384 0.000 0.861 101 V CB 1.728 33.840 31.823 0.481 0.000 0.985 101 V HN 0.241 nan 8.190 nan 0.000 0.436 102 P HA 0.127 nan 4.420 nan 0.000 0.269 102 P C -0.543 176.887 177.300 0.218 0.000 1.215 102 P CA 0.204 63.444 63.100 0.234 0.000 0.780 102 P CB 0.573 32.379 31.700 0.175 0.000 0.898 103 S N 1.735 117.561 115.700 0.210 0.000 2.519 103 S HA 0.552 5.021 4.470 -0.001 0.000 0.309 103 S C -2.418 172.273 174.600 0.151 0.000 1.100 103 S CA -1.597 56.709 58.200 0.176 0.000 1.059 103 S CB 0.130 63.434 63.200 0.173 0.000 1.008 103 S HN 0.267 nan 8.310 nan 0.000 0.478 104 P HA 0.187 nan 4.420 nan 0.000 0.272 104 P C -0.522 176.852 177.300 0.124 0.000 1.223 104 P CA -0.613 62.555 63.100 0.112 0.000 0.784 104 P CB 0.421 32.172 31.700 0.085 0.000 0.923 105 R N 2.966 123.547 120.500 0.135 0.000 2.504 105 R HA 0.048 4.388 4.340 -0.001 0.000 0.291 105 R C -1.703 174.662 176.300 0.109 0.000 0.974 105 R CA -0.783 55.405 56.100 0.146 0.000 1.077 105 R CB -0.149 30.239 30.300 0.147 0.000 0.926 105 R HN 0.414 nan 8.270 nan 0.000 0.407 106 P HA 0.084 nan 4.420 nan 0.000 0.277 106 P C -0.623 176.713 177.300 0.060 0.000 1.276 106 P CA -0.276 62.870 63.100 0.078 0.000 0.788 106 P CB 0.759 32.507 31.700 0.080 0.000 1.114 107 K N -0.950 119.472 120.400 0.037 0.000 2.306 107 K HA 0.137 4.456 4.320 -0.001 0.000 0.200 107 K C 0.859 177.459 176.600 -0.000 0.000 1.083 107 K CA 0.730 57.028 56.287 0.017 0.000 0.959 107 K CB -0.209 32.297 32.500 0.010 0.000 0.994 107 K HN 0.419 nan 8.250 nan 0.000 0.492 108 S N 1.177 116.879 115.700 0.003 0.000 2.708 108 S HA 0.117 4.587 4.470 -0.001 0.000 0.141 108 S C -0.888 173.712 174.600 -0.000 0.000 1.349 108 S CA -0.349 57.845 58.200 -0.011 0.000 1.206 108 S CB 0.180 63.363 63.200 -0.028 0.000 1.603 108 S HN 0.140 nan 8.310 nan 0.000 0.415 109 T N 1.702 116.267 114.554 0.019 0.000 2.912 109 T HA 0.534 4.883 4.350 -0.001 0.000 0.280 109 T C 0.306 175.018 174.700 0.020 0.000 0.989 109 T CA 0.069 62.182 62.100 0.022 0.000 0.995 109 T CB 0.946 69.839 68.868 0.041 0.000 1.077 109 T HN 0.446 nan 8.240 nan 0.000 0.531 110 T N 2.352 116.913 114.554 0.012 0.000 2.934 110 T HA 0.299 4.648 4.350 -0.001 0.000 0.306 110 T C -0.285 174.436 174.700 0.035 0.000 1.042 110 T CA -0.244 61.860 62.100 0.006 0.000 1.145 110 T CB 0.247 69.105 68.868 -0.015 0.000 0.982 110 T HN 0.417 nan 8.240 nan 0.000 0.544 111 V N 4.881 124.820 119.914 0.042 0.000 2.495 111 V HA 0.499 4.618 4.120 -0.001 0.000 0.298 111 V C -0.040 176.111 176.094 0.094 0.000 1.031 111 V CA -0.742 61.607 62.300 0.081 0.000 0.871 111 V CB 1.639 33.512 31.823 0.084 0.000 0.988 111 V HN 0.836 nan 8.190 nan 0.000 0.432 112 M N 4.615 124.300 119.600 0.141 0.000 2.259 112 M HA 0.567 5.047 4.480 -0.001 0.000 0.304 112 M C -1.287 175.248 176.300 0.392 0.000 1.019 112 M CA -0.640 54.773 55.300 0.188 0.000 0.922 112 M CB 2.261 34.876 32.600 0.026 0.000 1.600 112 M HN 0.364 nan 8.290 nan 0.000 0.433 113 V N 3.087 123.269 119.914 0.446 0.000 2.384 113 V HA 0.355 4.475 4.120 -0.001 0.000 0.287 113 V C -0.823 175.540 176.094 0.448 0.000 1.020 113 V CA -0.633 61.903 62.300 0.394 0.000 0.850 113 V CB 1.598 33.529 31.823 0.180 0.000 0.987 113 V HN 0.859 nan 8.190 nan 0.000 0.436 114 W N 6.956 128.325 121.300 0.115 0.000 2.351 114 W HA 0.634 5.293 4.660 -0.001 0.000 0.311 114 W C -1.324 175.075 176.519 -0.201 0.000 1.168 114 W CA -0.772 56.387 57.345 -0.310 0.000 1.200 114 W CB 1.255 30.588 29.460 -0.211 0.000 1.221 114 W HN 0.451 nan 8.180 nan 0.000 0.519 115 I N 9.238 129.106 120.570 -1.169 0.000 2.390 115 I HA 0.064 4.233 4.170 -0.001 0.000 0.283 115 I C -0.245 175.072 176.117 -1.333 0.000 1.016 115 I CA -1.127 59.602 61.300 -0.951 0.000 1.151 115 I CB 0.571 38.206 38.000 -0.609 0.000 1.293 115 I HN 0.292 nan 8.210 nan 0.000 0.458 116 Y N 4.552 124.358 120.300 -0.824 0.000 2.550 116 Y HA 0.616 5.166 4.550 -0.001 0.000 0.343 116 Y C 0.742 176.492 175.900 -0.251 0.000 1.245 116 Y CA -0.778 57.009 58.100 -0.522 0.000 1.462 116 Y CB -0.070 38.350 38.460 -0.067 0.000 1.340 116 Y HN 0.521 nan 8.280 nan 0.000 0.604 117 G N -0.568 108.276 108.800 0.073 0.000 2.583 117 G HA2 0.503 4.463 3.960 -0.001 0.000 0.280 117 G HA3 0.503 4.463 3.960 -0.001 0.000 0.280 117 G C 0.257 175.123 174.900 -0.057 0.000 1.376 117 G CA -0.936 44.125 45.100 -0.065 0.000 1.043 117 G HN 1.722 nan 8.290 nan 0.000 0.538 118 G N -2.809 105.801 108.800 -0.315 0.000 2.223 118 G HA2 0.409 4.368 3.960 -0.001 0.000 0.200 118 G HA3 0.409 4.368 3.960 -0.001 0.000 0.200 118 G C 1.035 175.396 174.900 -0.898 0.000 1.061 118 G CA 0.702 45.487 45.100 -0.526 0.000 0.790 118 G HN 2.295 nan 8.290 nan 0.000 0.498 119 G N -0.441 107.862 108.800 -0.827 0.000 2.212 119 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.267 119 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.267 119 G C 0.952 175.647 174.900 -0.341 0.000 1.002 119 G CA 0.891 45.360 45.100 -1.052 0.000 0.729 119 G HN 1.754 nan 8.290 nan 0.000 0.517 120 F N -3.547 116.330 119.950 -0.123 0.000 2.825 120 F HA -0.317 4.210 4.527 -0.001 0.000 0.358 120 F C 1.488 177.406 175.800 0.197 0.000 0.639 120 F CA 2.130 60.176 58.000 0.078 0.000 1.153 120 F CB -2.065 36.842 39.000 -0.155 0.000 1.610 120 F HN 0.872 nan 8.300 nan 0.000 0.305 121 Y N -1.031 119.372 120.300 0.172 0.000 2.445 121 Y HA 0.657 5.206 4.550 -0.001 0.000 0.247 121 Y C 0.665 176.698 175.900 0.222 0.000 1.129 121 Y CA 0.252 58.471 58.100 0.197 0.000 1.251 121 Y CB -0.015 38.480 38.460 0.058 0.000 1.176 121 Y HN 0.089 nan 8.280 nan 0.000 0.522 122 S N -0.790 114.743 115.700 -0.278 0.000 2.672 122 S HA 0.892 5.361 4.470 -0.001 0.000 0.271 122 S C -0.263 174.213 174.600 -0.208 0.000 1.171 122 S CA -0.511 57.585 58.200 -0.173 0.000 0.817 122 S CB 1.510 64.573 63.200 -0.228 0.000 1.150 122 S HN 1.264 nan 8.310 nan 0.000 0.478 123 G N -0.347 108.298 108.800 -0.258 0.000 2.379 123 G HA2 0.436 4.395 3.960 -0.001 0.000 0.609 123 G HA3 0.436 4.395 3.960 -0.001 0.000 0.609 123 G C -1.151 173.143 174.900 -1.011 0.000 1.484 123 G CA -0.341 44.430 45.100 -0.548 0.000 0.921 123 G HN 1.283 nan 8.290 nan 0.000 0.658 124 S N -0.879 114.221 115.700 -1.000 0.000 2.536 124 S HA 0.676 5.145 4.470 -0.001 0.000 0.271 124 S C 0.902 175.342 174.600 -0.267 0.000 1.134 124 S CA 0.097 57.899 58.200 -0.663 0.000 0.897 124 S CB 1.804 64.823 63.200 -0.301 0.000 1.094 124 S HN 1.920 nan 8.310 nan 0.000 0.473 125 S N -0.036 115.668 115.700 0.007 0.000 2.558 125 S HA -0.041 4.429 4.470 -0.001 0.000 0.217 125 S C 1.361 176.047 174.600 0.143 0.000 0.975 125 S CA 0.796 59.204 58.200 0.346 0.000 0.912 125 S CB -0.543 62.906 63.200 0.415 0.000 0.776 125 S HN 0.826 nan 8.310 nan 0.000 0.526 126 T N 0.066 114.511 114.554 -0.182 0.000 3.086 126 T HA 0.399 4.749 4.350 -0.001 0.000 0.250 126 T C 0.570 175.016 174.700 -0.424 0.000 1.074 126 T CA -0.526 61.168 62.100 -0.676 0.000 0.988 126 T CB -0.581 67.751 68.868 -0.894 0.000 0.988 126 T HN 0.315 nan 8.240 nan 0.000 0.530 127 L N 2.026 123.088 121.223 -0.268 0.000 2.499 127 L HA 0.108 4.447 4.340 -0.001 0.000 0.281 127 L C 1.402 178.066 176.870 -0.344 0.000 1.234 127 L CA -0.404 54.197 54.840 -0.398 0.000 0.839 127 L CB 0.298 41.913 42.059 -0.740 0.000 1.104 127 L HN 0.065 nan 8.230 nan 0.000 0.500 128 D N 1.038 121.246 120.400 -0.320 0.000 2.123 128 D HA -0.156 4.483 4.640 -0.001 0.000 0.196 128 D C 1.923 178.039 176.300 -0.307 0.000 0.992 128 D CA 1.021 54.889 54.000 -0.219 0.000 0.833 128 D CB 0.022 40.699 40.800 -0.204 0.000 0.954 128 D HN 0.375 nan 8.370 nan 0.000 0.455 129 V N 0.181 119.774 119.914 -0.536 0.000 3.241 129 V HA -0.196 3.924 4.120 -0.001 0.000 0.269 129 V C 0.590 176.254 176.094 -0.717 0.000 1.151 129 V CA 1.184 63.130 62.300 -0.589 0.000 1.158 129 V CB -0.574 30.791 31.823 -0.764 0.000 0.764 129 V HN 0.171 nan 8.190 nan 0.000 0.508 130 Y N -0.810 119.053 120.300 -0.729 0.000 2.467 130 Y HA 0.397 4.946 4.550 -0.001 0.000 0.250 130 Y C 1.108 176.646 175.900 -0.604 0.000 1.155 130 Y CA -1.338 56.065 58.100 -1.161 0.000 1.249 130 Y CB -0.744 37.324 38.460 -0.653 0.000 1.146 130 Y HN 0.231 nan 8.280 nan 0.000 0.524 131 N N 1.596 120.171 118.700 -0.208 0.000 2.429 131 N HA -0.035 4.705 4.740 -0.001 0.000 0.271 131 N C 1.183 176.403 175.510 -0.485 0.000 1.272 131 N CA 0.643 53.516 53.050 -0.295 0.000 0.921 131 N CB 1.033 39.444 38.487 -0.126 0.000 1.128 131 N HN 0.445 nan 8.380 nan 0.000 0.481 132 G N 3.279 111.303 108.800 -1.293 0.000 3.262 132 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.228 132 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.228 132 G C 1.370 175.748 174.900 -0.871 0.000 1.197 132 G CA -0.021 44.581 45.100 -0.831 0.000 0.819 132 G HN 0.755 nan 8.290 nan 0.000 0.531 133 K N -0.645 119.076 120.400 -1.131 0.000 2.155 133 K HA -0.079 4.241 4.320 -0.001 0.000 0.203 133 K C 1.520 177.909 176.600 -0.353 0.000 1.052 133 K CA 0.807 56.715 56.287 -0.631 0.000 0.948 133 K CB -0.376 31.790 32.500 -0.557 0.000 0.728 133 K HN 0.294 nan 8.250 nan 0.000 0.448 134 Y N 1.117 121.351 120.300 -0.110 0.000 2.220 134 Y HA -0.081 4.469 4.550 -0.001 0.000 0.291 134 Y C 2.252 178.153 175.900 0.000 0.000 1.129 134 Y CA 0.495 58.586 58.100 -0.015 0.000 1.161 134 Y CB -0.518 37.903 38.460 -0.064 0.000 0.997 134 Y HN 0.025 nan 8.280 nan 0.000 0.522 135 L N 0.126 121.381 121.223 0.053 0.000 2.109 135 L HA 0.008 4.348 4.340 -0.001 0.000 0.207 135 L C 2.313 179.195 176.870 0.020 0.000 1.086 135 L CA 1.776 56.604 54.840 -0.021 0.000 0.760 135 L CB -1.122 40.837 42.059 -0.166 0.000 0.910 135 L HN 0.130 nan 8.230 nan 0.000 0.437 136 A N -1.376 121.474 122.820 0.050 0.000 1.898 136 A HA -0.271 4.049 4.320 -0.001 0.000 0.216 136 A C 2.289 179.961 177.584 0.145 0.000 1.181 136 A CA 1.808 53.922 52.037 0.128 0.000 0.620 136 A CB -1.116 18.021 19.000 0.228 0.000 0.819 136 A HN 0.591 nan 8.150 nan 0.000 0.442 137 Y N 1.151 121.477 120.300 0.042 0.000 2.133 137 Y HA -0.146 4.404 4.550 -0.001 0.000 0.287 137 Y C 2.638 178.565 175.900 0.046 0.000 1.134 137 Y CA 2.324 60.453 58.100 0.048 0.000 1.133 137 Y CB -0.788 37.688 38.460 0.026 0.000 0.987 137 Y HN 0.285 nan 8.280 nan 0.000 0.502 138 T N 0.403 114.908 114.554 -0.080 0.000 2.788 138 T HA -0.118 4.231 4.350 -0.001 0.000 0.268 138 T C 1.296 175.926 174.700 -0.116 0.000 1.044 138 T CA 1.708 63.712 62.100 -0.160 0.000 1.139 138 T CB -0.097 68.773 68.868 0.004 0.000 0.867 138 T HN 0.320 nan 8.240 nan 0.000 0.454 139 E N 0.505 120.683 120.200 -0.038 0.000 2.481 139 E HA 0.118 4.468 4.350 -0.001 0.000 0.198 139 E C -0.013 176.587 176.600 -0.000 0.000 1.027 139 E CA 0.020 56.423 56.400 0.006 0.000 0.900 139 E CB 0.173 29.888 29.700 0.025 0.000 0.993 139 E HN 0.585 nan 8.360 nan 0.000 0.482 140 E N 0.228 120.419 120.200 -0.016 0.000 2.230 140 E HA -0.164 4.185 4.350 -0.001 0.000 0.206 140 E C -0.303 176.323 176.600 0.043 0.000 1.309 140 E CA 0.443 56.851 56.400 0.014 0.000 0.697 140 E CB -1.750 27.947 29.700 -0.005 0.000 1.146 140 E HN 0.122 nan 8.360 nan 0.000 0.363 141 V N -3.538 116.416 119.914 0.066 0.000 3.040 141 V HA 0.673 4.793 4.120 -0.001 0.000 0.312 141 V C 0.271 176.443 176.094 0.130 0.000 1.115 141 V CA -1.167 61.178 62.300 0.075 0.000 0.998 141 V CB 2.349 34.199 31.823 0.046 0.000 1.042 141 V HN -0.029 nan 8.190 nan 0.000 0.433 142 V N 4.452 124.449 119.914 0.138 0.000 2.368 142 V HA 0.286 4.406 4.120 -0.001 0.000 0.266 142 V C 0.067 176.293 176.094 0.219 0.000 1.045 142 V CA -0.303 62.109 62.300 0.188 0.000 0.899 142 V CB 0.957 32.875 31.823 0.158 0.000 1.006 142 V HN 0.755 nan 8.190 nan 0.000 0.470 143 L N 7.538 128.946 121.223 0.309 0.000 2.265 143 L HA 0.572 4.912 4.340 -0.001 0.000 0.288 143 L C -0.416 176.749 176.870 0.491 0.000 1.058 143 L CA 0.296 55.369 54.840 0.388 0.000 0.809 143 L CB 1.602 43.890 42.059 0.380 0.000 1.179 143 L HN 0.391 nan 8.230 nan 0.000 0.429 144 V N 4.007 124.181 119.914 0.433 0.000 2.604 144 V HA 0.544 4.664 4.120 -0.001 0.000 0.305 144 V C -0.093 176.273 176.094 0.454 0.000 1.043 144 V CA -0.621 61.905 62.300 0.377 0.000 0.888 144 V CB 2.200 34.158 31.823 0.225 0.000 0.995 144 V HN 0.899 nan 8.190 nan 0.000 0.429 145 S N 4.923 120.899 115.700 0.460 0.000 2.659 145 S HA 0.793 5.263 4.470 -0.001 0.000 0.312 145 S C -0.775 174.017 174.600 0.320 0.000 1.114 145 S CA -0.767 57.721 58.200 0.480 0.000 1.063 145 S CB 1.358 64.959 63.200 0.668 0.000 0.996 145 S HN 0.685 nan 8.310 nan 0.000 0.478 146 L N 1.316 122.661 121.223 0.203 0.000 2.569 146 L HA 0.983 5.323 4.340 -0.001 0.000 0.247 146 L C 0.180 177.207 176.870 0.262 0.000 1.135 146 L CA -0.601 54.326 54.840 0.146 0.000 0.812 146 L CB 0.023 42.046 42.059 -0.060 0.000 1.431 146 L HN 0.858 nan 8.230 nan 0.000 0.499 147 S N -1.651 114.258 115.700 0.349 0.000 2.618 147 S HA 0.877 5.346 4.470 -0.001 0.000 0.277 147 S C -1.272 173.586 174.600 0.430 0.000 1.138 147 S CA -0.565 57.884 58.200 0.415 0.000 0.844 147 S CB 1.503 64.968 63.200 0.442 0.000 1.127 147 S HN 1.167 nan 8.310 nan 0.000 0.474 148 Y N -1.630 118.800 120.300 0.217 0.000 2.592 148 Y HA 0.681 5.231 4.550 -0.001 0.000 0.334 148 Y C -0.754 175.280 175.900 0.224 0.000 1.136 148 Y CA -1.396 56.812 58.100 0.179 0.000 1.042 148 Y CB 0.731 39.242 38.460 0.085 0.000 1.325 148 Y HN 0.770 nan 8.280 nan 0.000 0.457 149 R N 1.938 122.575 120.500 0.227 0.000 2.570 149 R HA 0.488 4.828 4.340 -0.001 0.000 0.277 149 R C -0.114 176.356 176.300 0.284 0.000 1.039 149 R CA -0.006 56.188 56.100 0.156 0.000 1.065 149 R CB 0.722 31.081 30.300 0.098 0.000 0.964 149 R HN 0.693 nan 8.270 nan 0.000 0.428 150 V N -0.004 120.102 119.914 0.320 0.000 3.204 150 V HA 0.898 5.018 4.120 -0.001 0.000 0.316 150 V C 0.731 177.167 176.094 0.571 0.000 1.160 150 V CA -0.166 62.451 62.300 0.528 0.000 1.044 150 V CB 1.140 33.175 31.823 0.353 0.000 1.136 150 V HN 0.976 nan 8.190 nan 0.000 0.455 151 G N 0.131 109.302 108.800 0.618 0.000 2.641 151 G HA2 0.059 4.019 3.960 -0.001 0.000 0.254 151 G HA3 0.059 4.019 3.960 -0.001 0.000 0.254 151 G C 0.967 176.063 174.900 0.327 0.000 1.315 151 G CA 0.864 46.272 45.100 0.514 0.000 0.907 151 G HN 2.201 nan 8.290 nan 0.000 0.572 152 A N -1.312 121.396 122.820 -0.186 0.000 1.940 152 A HA 0.169 4.489 4.320 -0.001 0.000 0.219 152 A C 2.249 179.732 177.584 -0.168 0.000 1.176 152 A CA 2.635 54.219 52.037 -0.756 0.000 0.631 152 A CB -0.565 17.788 19.000 -1.079 0.000 0.814 152 A HN 1.059 nan 8.150 nan 0.000 0.446 153 F N 0.098 120.119 119.950 0.118 0.000 2.147 153 F HA -0.135 4.391 4.527 -0.001 0.000 0.301 153 F C 2.424 178.249 175.800 0.042 0.000 1.084 153 F CA 1.385 59.429 58.000 0.073 0.000 1.268 153 F CB -0.713 38.285 39.000 -0.004 0.000 1.009 153 F HN 0.303 nan 8.300 nan 0.000 0.486 154 G N -2.915 105.984 108.800 0.165 0.000 2.939 154 G HA2 0.112 4.072 3.960 -0.001 0.000 0.216 154 G HA3 0.112 4.072 3.960 -0.001 0.000 0.216 154 G C 0.685 175.116 174.900 -0.782 0.000 1.125 154 G CA 0.048 44.995 45.100 -0.254 0.000 0.766 154 G HN 0.330 nan 8.290 nan 0.000 0.541 155 F N -0.480 119.556 119.950 0.144 0.000 2.899 155 F HA 0.422 4.948 4.527 -0.001 0.000 0.337 155 F C 0.324 176.159 175.800 0.058 0.000 1.129 155 F CA -1.033 57.026 58.000 0.097 0.000 1.128 155 F CB 0.416 39.498 39.000 0.137 0.000 1.154 155 F HN -0.086 nan 8.300 nan 0.000 0.531 156 L N 2.263 123.461 121.223 -0.041 0.000 2.540 156 L HA 0.441 4.780 4.340 -0.001 0.000 0.276 156 L C 0.153 176.975 176.870 -0.081 0.000 1.212 156 L CA 0.228 54.922 54.840 -0.244 0.000 0.893 156 L CB 0.285 41.892 42.059 -0.754 0.000 1.138 156 L HN 0.162 nan 8.230 nan 0.000 0.491 157 A N 6.910 129.740 122.820 0.016 0.000 2.332 157 A HA 0.633 4.953 4.320 -0.001 0.000 0.300 157 A C -0.783 176.812 177.584 0.018 0.000 1.153 157 A CA -0.484 51.572 52.037 0.032 0.000 0.764 157 A CB 0.615 19.668 19.000 0.088 0.000 1.174 157 A HN 0.713 nan 8.150 nan 0.000 0.467 158 L N 3.527 124.751 121.223 0.003 0.000 2.581 158 L HA 0.223 4.563 4.340 -0.001 0.000 0.241 158 L C 0.056 176.956 176.870 0.050 0.000 1.265 158 L CA -0.782 54.064 54.840 0.009 0.000 0.954 158 L CB 0.247 42.280 42.059 -0.043 0.000 1.269 158 L HN 0.918 nan 8.230 nan 0.000 0.475 159 H N 1.440 120.509 119.070 -0.002 0.000 3.173 159 H HA 0.187 4.742 4.556 -0.001 0.000 0.311 159 H C 1.153 176.485 175.328 0.007 0.000 0.972 159 H CA 1.776 57.830 56.048 0.010 0.000 1.384 159 H CB 0.693 30.465 29.762 0.017 0.000 1.349 159 H HN 0.675 nan 8.280 nan 0.000 0.582 160 G N 2.616 111.113 108.800 -0.504 0.000 2.376 160 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.208 160 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.208 160 G C 0.481 175.280 174.900 -0.167 0.000 1.032 160 G CA 0.174 45.060 45.100 -0.355 0.000 0.641 160 G HN 0.932 nan 8.290 nan 0.000 0.503 161 S N 0.089 115.729 115.700 -0.100 0.000 2.617 161 S HA 0.589 5.058 4.470 -0.001 0.000 0.269 161 S C 0.969 175.550 174.600 -0.031 0.000 1.292 161 S CA 0.404 58.575 58.200 -0.048 0.000 1.010 161 S CB 1.455 64.639 63.200 -0.027 0.000 0.944 161 S HN 0.245 nan 8.310 nan 0.000 0.536 162 Q N 0.958 120.753 119.800 -0.009 0.000 2.217 162 Q HA 0.225 4.565 4.340 -0.001 0.000 0.217 162 Q C 0.770 176.788 176.000 0.030 0.000 0.844 162 Q CA 0.117 55.925 55.803 0.008 0.000 0.957 162 Q CB 0.428 29.170 28.738 0.006 0.000 1.127 162 Q HN 0.701 nan 8.270 nan 0.000 0.503 163 E N 0.197 120.419 120.200 0.037 0.000 2.340 163 E HA 0.149 4.498 4.350 -0.001 0.000 0.194 163 E C 0.123 176.784 176.600 0.102 0.000 0.996 163 E CA 0.289 56.731 56.400 0.071 0.000 0.869 163 E CB 0.811 30.558 29.700 0.077 0.000 0.835 163 E HN 0.112 nan 8.360 nan 0.000 0.493 164 A N 1.649 124.500 122.820 0.051 0.000 3.422 164 A HA 0.262 4.582 4.320 -0.001 0.000 0.271 164 A C -2.102 175.483 177.584 0.002 0.000 1.104 164 A CA -0.753 51.297 52.037 0.021 0.000 0.899 164 A CB 0.581 19.506 19.000 -0.123 0.000 1.309 164 A HN -0.127 nan 8.150 nan 0.000 0.580 165 P HA 0.140 nan 4.420 nan 0.000 0.229 165 P C 0.920 178.269 177.300 0.080 0.000 1.160 165 P CA 1.802 64.937 63.100 0.059 0.000 0.777 165 P CB 0.221 31.958 31.700 0.063 0.000 0.814 166 G N 0.651 109.479 108.800 0.046 0.000 2.707 166 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.686 166 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.686 166 G C -0.070 174.842 174.900 0.020 0.000 1.315 166 G CA -0.180 44.952 45.100 0.053 0.000 0.832 166 G HN 0.238 nan 8.290 nan 0.000 0.573 167 N N -2.285 116.428 118.700 0.021 0.000 2.815 167 N HA -0.344 4.396 4.740 -0.001 0.000 0.247 167 N C 1.802 177.184 175.510 -0.213 0.000 1.030 167 N CA 1.652 54.649 53.050 -0.088 0.000 0.881 167 N CB -1.060 37.315 38.487 -0.186 0.000 1.134 167 N HN 1.801 nan 8.380 nan 0.000 0.582 168 V N -2.836 116.951 119.914 -0.212 0.000 2.594 168 V HA -0.074 4.045 4.120 -0.001 0.000 0.253 168 V C 2.282 178.253 176.094 -0.205 0.000 1.069 168 V CA 2.136 64.349 62.300 -0.145 0.000 1.082 168 V CB -0.946 30.835 31.823 -0.069 0.000 0.680 168 V HN 0.337 nan 8.190 nan 0.000 0.469 169 G N 0.196 108.672 108.800 -0.539 0.000 2.422 169 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.218 169 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.218 169 G C 1.549 176.411 174.900 -0.063 0.000 1.140 169 G CA 1.026 45.909 45.100 -0.361 0.000 0.775 169 G HN 0.529 nan 8.290 nan 0.000 0.545 170 L N -0.140 121.012 121.223 -0.118 0.000 2.109 170 L HA 0.098 4.437 4.340 -0.001 0.000 0.207 170 L C 2.784 179.710 176.870 0.093 0.000 1.086 170 L CA 0.380 55.156 54.840 -0.106 0.000 0.760 170 L CB -0.227 41.477 42.059 -0.591 0.000 0.910 170 L HN 0.184 nan 8.230 nan 0.000 0.437 171 L N -0.658 120.608 121.223 0.072 0.000 2.201 171 L HA -0.191 4.149 4.340 -0.001 0.000 0.212 171 L C 2.075 179.036 176.870 0.151 0.000 1.105 171 L CA 0.738 55.675 54.840 0.161 0.000 0.775 171 L CB -0.587 41.543 42.059 0.119 0.000 0.913 171 L HN 0.276 nan 8.230 nan 0.000 0.440 172 D N -0.017 120.471 120.400 0.147 0.000 2.117 172 D HA -0.189 4.451 4.640 -0.001 0.000 0.197 172 D C 2.278 178.680 176.300 0.170 0.000 0.987 172 D CA 1.104 55.257 54.000 0.255 0.000 0.829 172 D CB -0.128 40.854 40.800 0.303 0.000 0.961 172 D HN 0.389 nan 8.370 nan 0.000 0.460 173 Q N 0.177 120.032 119.800 0.091 0.000 2.050 173 Q HA -0.140 4.200 4.340 -0.001 0.000 0.202 173 Q C 2.300 178.222 176.000 -0.131 0.000 0.980 173 Q CA 1.050 56.825 55.803 -0.046 0.000 0.840 173 Q CB -0.067 28.676 28.738 0.008 0.000 0.898 173 Q HN 0.195 nan 8.270 nan 0.000 0.424 174 R N 0.658 121.161 120.500 0.006 0.000 2.081 174 R HA -0.147 4.193 4.340 -0.001 0.000 0.235 174 R C 2.227 178.502 176.300 -0.042 0.000 1.131 174 R CA 1.498 57.576 56.100 -0.037 0.000 0.960 174 R CB -0.194 30.179 30.300 0.122 0.000 0.856 174 R HN 0.284 nan 8.270 nan 0.000 0.436 175 M N 0.019 119.627 119.600 0.013 0.000 2.159 175 M HA -0.125 4.354 4.480 -0.001 0.000 0.263 175 M C 2.046 178.283 176.300 -0.105 0.000 1.063 175 M CA 1.938 57.275 55.300 0.061 0.000 1.110 175 M CB -0.029 32.715 32.600 0.240 0.000 1.374 175 M HN 0.317 nan 8.290 nan 0.000 0.411 176 A N 0.469 122.977 122.820 -0.520 0.000 1.873 176 A HA -0.099 4.221 4.320 -0.001 0.000 0.215 176 A C 1.974 179.423 177.584 -0.225 0.000 1.186 176 A CA 1.314 52.866 52.037 -0.808 0.000 0.616 176 A CB -0.952 17.379 19.000 -1.116 0.000 0.823 176 A HN 0.572 nan 8.150 nan 0.000 0.442 177 L N -0.855 120.262 121.223 -0.177 0.000 2.083 177 L HA -0.242 4.097 4.340 -0.001 0.000 0.209 177 L C 2.850 179.746 176.870 0.044 0.000 1.083 177 L CA 1.708 56.510 54.840 -0.064 0.000 0.752 177 L CB -0.458 41.522 42.059 -0.132 0.000 0.899 177 L HN 0.487 nan 8.230 nan 0.000 0.433 178 Q N -0.352 119.472 119.800 0.041 0.000 2.079 178 Q HA -0.250 4.089 4.340 -0.001 0.000 0.200 178 Q C 1.985 178.094 176.000 0.182 0.000 0.974 178 Q CA 1.877 57.737 55.803 0.095 0.000 0.840 178 Q CB -0.500 28.285 28.738 0.079 0.000 0.898 178 Q HN 0.469 nan 8.270 nan 0.000 0.430 179 W N -0.581 120.728 121.300 0.015 0.000 2.358 179 W HA -0.166 4.494 4.660 -0.001 0.000 0.303 179 W C 1.883 178.437 176.519 0.059 0.000 1.208 179 W CA 1.813 59.190 57.345 0.053 0.000 1.274 179 W CB -0.195 29.293 29.460 0.047 0.000 1.138 179 W HN 0.019 nan 8.180 nan 0.000 0.515 180 V N -0.170 119.938 119.914 0.323 0.000 2.343 180 V HA -0.359 3.760 4.120 -0.001 0.000 0.247 180 V C 2.141 178.268 176.094 0.054 0.000 1.051 180 V CA 2.419 64.836 62.300 0.196 0.000 1.036 180 V CB -1.359 30.566 31.823 0.169 0.000 0.654 180 V HN 0.328 nan 8.190 nan 0.000 0.451 181 H N 0.594 119.658 119.070 -0.010 0.000 2.353 181 H HA -0.155 4.401 4.556 -0.001 0.000 0.300 181 H C 1.946 177.209 175.328 -0.109 0.000 1.090 181 H CA 2.124 58.145 56.048 -0.046 0.000 1.327 181 H CB -0.034 29.714 29.762 -0.024 0.000 1.383 181 H HN 0.417 nan 8.280 nan 0.000 0.508 182 D N -0.800 119.523 120.400 -0.128 0.000 2.249 182 D HA -0.044 4.596 4.640 -0.001 0.000 0.205 182 D C 1.048 177.161 176.300 -0.311 0.000 0.962 182 D CA 0.667 54.533 54.000 -0.224 0.000 0.860 182 D CB 0.103 40.825 40.800 -0.130 0.000 0.955 182 D HN 0.512 nan 8.370 nan 0.000 0.505 183 N N -0.035 118.415 118.700 -0.416 0.000 2.257 183 N HA 0.025 4.764 4.740 -0.001 0.000 0.200 183 N C 1.630 177.071 175.510 -0.116 0.000 1.163 183 N CA -0.185 52.667 53.050 -0.329 0.000 0.891 183 N CB 0.954 38.908 38.487 -0.889 0.000 1.067 183 N HN 0.007 nan 8.380 nan 0.000 0.497 184 I N 3.323 123.829 120.570 -0.107 0.000 2.399 184 I HA -0.306 3.864 4.170 -0.001 0.000 0.254 184 I C 2.612 178.747 176.117 0.030 0.000 1.146 184 I CA 1.467 62.807 61.300 0.067 0.000 1.412 184 I CB -0.249 37.762 38.000 0.019 0.000 1.076 184 I HN 0.225 nan 8.210 nan 0.000 0.432 185 Q N -0.647 118.989 119.800 -0.273 0.000 2.135 185 Q HA -0.260 4.080 4.340 -0.001 0.000 0.204 185 Q C 1.979 177.771 176.000 -0.347 0.000 0.981 185 Q CA 1.860 57.435 55.803 -0.379 0.000 0.856 185 Q CB -0.980 27.384 28.738 -0.623 0.000 0.902 185 Q HN 0.436 nan 8.270 nan 0.000 0.425 186 F N -0.161 119.737 119.950 -0.087 0.000 2.546 186 F HA 0.060 4.586 4.527 -0.001 0.000 0.298 186 F C 0.878 176.438 175.800 -0.399 0.000 1.120 186 F CA 0.403 58.245 58.000 -0.264 0.000 1.456 186 F CB -0.125 38.632 39.000 -0.405 0.000 1.088 186 F HN 0.016 nan 8.300 nan 0.000 0.572 187 F N -0.788 119.165 119.950 0.005 0.000 2.653 187 F HA 0.442 4.968 4.527 -0.001 0.000 0.304 187 F C 1.731 177.537 175.800 0.010 0.000 1.092 187 F CA 0.214 58.196 58.000 -0.030 0.000 1.279 187 F CB 0.120 39.068 39.000 -0.086 0.000 1.044 187 F HN 0.012 nan 8.300 nan 0.000 0.564 188 G N 0.172 109.044 108.800 0.120 0.000 2.175 188 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.244 188 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.244 188 G C 0.622 175.561 174.900 0.066 0.000 0.982 188 G CA -0.287 44.862 45.100 0.080 0.000 0.641 188 G HN 0.720 nan 8.290 nan 0.000 0.527 189 G N -0.430 108.414 108.800 0.074 0.000 2.448 189 G HA2 0.494 4.453 3.960 -0.001 0.000 0.285 189 G HA3 0.494 4.453 3.960 -0.001 0.000 0.285 189 G C -0.776 174.112 174.900 -0.020 0.000 1.176 189 G CA 0.310 45.437 45.100 0.044 0.000 0.852 189 G HN 0.269 nan 8.290 nan 0.000 0.530 190 D N 1.241 121.630 120.400 -0.018 0.000 2.396 190 D HA 0.352 4.992 4.640 -0.001 0.000 0.225 190 D C -1.471 174.800 176.300 -0.048 0.000 1.121 190 D CA -2.353 51.619 54.000 -0.048 0.000 0.853 190 D CB 1.853 42.633 40.800 -0.034 0.000 1.043 190 D HN -0.017 nan 8.370 nan 0.000 0.500 191 P HA -0.087 nan 4.420 nan 0.000 0.223 191 P C 0.641 177.927 177.300 -0.023 0.000 1.144 191 P CA 0.733 63.776 63.100 -0.096 0.000 0.783 191 P CB 0.345 31.883 31.700 -0.270 0.000 0.771 192 K N -1.456 118.922 120.400 -0.036 0.000 2.417 192 K HA 0.161 4.481 4.320 -0.001 0.000 0.196 192 K C 0.033 176.626 176.600 -0.012 0.000 1.023 192 K CA 0.486 56.764 56.287 -0.014 0.000 1.122 192 K CB -0.432 32.048 32.500 -0.033 0.000 0.850 192 K HN -0.061 nan 8.250 nan 0.000 0.521 193 T N 0.105 114.655 114.554 -0.006 0.000 3.839 193 T HA 0.256 4.606 4.350 -0.001 0.000 0.230 193 T C -1.041 173.669 174.700 0.016 0.000 1.095 193 T CA -0.485 61.608 62.100 -0.013 0.000 1.470 193 T CB 0.554 69.403 68.868 -0.033 0.000 0.881 193 T HN -0.321 nan 8.240 nan 0.000 0.637 194 V N 2.004 121.954 119.914 0.059 0.000 2.370 194 V HA 0.497 4.617 4.120 -0.001 0.000 0.279 194 V C 0.346 176.528 176.094 0.147 0.000 1.029 194 V CA -0.419 61.944 62.300 0.106 0.000 0.870 194 V CB 1.587 33.496 31.823 0.143 0.000 0.984 194 V HN 0.496 nan 8.190 nan 0.000 0.451 195 T N 6.601 121.229 114.554 0.122 0.000 2.770 195 T HA 0.580 4.930 4.350 -0.001 0.000 0.283 195 T C -0.107 174.706 174.700 0.189 0.000 0.988 195 T CA -0.176 62.009 62.100 0.142 0.000 0.957 195 T CB 0.762 69.664 68.868 0.057 0.000 0.930 195 T HN 0.619 nan 8.240 nan 0.000 0.443 196 I N 1.854 122.508 120.570 0.140 0.000 2.428 196 I HA 0.872 5.042 4.170 -0.001 0.000 0.296 196 I C -0.854 175.427 176.117 0.273 0.000 0.985 196 I CA -0.928 60.441 61.300 0.115 0.000 1.260 196 I CB 0.913 38.767 38.000 -0.244 0.000 1.389 196 I HN 0.501 nan 8.210 nan 0.000 0.484 197 F N 2.974 122.936 119.950 0.020 0.000 2.619 197 F HA 0.985 5.511 4.527 -0.001 0.000 0.308 197 F C -0.505 175.246 175.800 -0.082 0.000 1.097 197 F CA -1.149 56.894 58.000 0.072 0.000 0.953 197 F CB 1.257 40.414 39.000 0.262 0.000 1.287 197 F HN 0.840 nan 8.300 nan 0.000 0.446 198 G N 1.046 109.674 108.800 -0.287 0.000 2.623 198 G HA2 0.507 4.467 3.960 -0.001 0.000 0.290 198 G HA3 0.507 4.467 3.960 -0.001 0.000 0.290 198 G C -2.501 172.193 174.900 -0.344 0.000 1.437 198 G CA -0.795 43.766 45.100 -0.899 0.000 0.798 198 G HN 0.866 nan 8.290 nan 0.000 0.488 199 E N 0.174 120.163 120.200 -0.352 0.000 2.256 199 E HA 0.625 4.975 4.350 -0.001 0.000 0.267 199 E C 0.668 177.225 176.600 -0.071 0.000 0.892 199 E CA 0.291 56.685 56.400 -0.010 0.000 0.775 199 E CB 2.111 31.938 29.700 0.211 0.000 1.207 199 E HN 0.830 nan 8.360 nan 0.000 0.420 200 S N 2.725 118.447 115.700 0.035 0.000 4.139 200 S HA -0.391 4.079 4.470 -0.001 0.000 0.603 200 S C 1.442 176.148 174.600 0.177 0.000 1.897 200 S CA 2.122 60.422 58.200 0.166 0.000 4.241 200 S CB -1.645 61.590 63.200 0.057 0.000 0.221 200 S HN 0.962 nan 8.310 nan 0.000 0.488 201 A N 1.003 123.809 122.820 -0.023 0.000 2.070 201 A HA 0.221 4.541 4.320 -0.001 0.000 0.220 201 A C 2.363 179.714 177.584 -0.389 0.000 1.159 201 A CA 2.213 54.055 52.037 -0.326 0.000 0.656 201 A CB -1.378 17.010 19.000 -1.021 0.000 0.800 201 A HN 1.516 nan 8.150 nan 0.000 0.453 202 G N -0.785 107.837 108.800 -0.298 0.000 2.430 202 G HA2 0.140 4.100 3.960 -0.001 0.000 0.216 202 G HA3 0.140 4.100 3.960 -0.001 0.000 0.216 202 G C 1.399 176.124 174.900 -0.291 0.000 1.146 202 G CA 1.056 45.929 45.100 -0.378 0.000 0.793 202 G HN 0.621 nan 8.290 nan 0.000 0.537 203 G N 0.971 109.669 108.800 -0.170 0.000 2.403 203 G HA2 0.144 4.104 3.960 -0.001 0.000 0.216 203 G HA3 0.144 4.104 3.960 -0.001 0.000 0.216 203 G C 1.985 176.799 174.900 -0.143 0.000 1.154 203 G CA 1.320 46.353 45.100 -0.112 0.000 0.784 203 G HN 0.539 nan 8.290 nan 0.000 0.538 204 A N 0.850 123.611 122.820 -0.099 0.000 1.898 204 A HA 0.047 4.367 4.320 -0.001 0.000 0.216 204 A C 2.678 180.203 177.584 -0.098 0.000 1.181 204 A CA 2.146 54.100 52.037 -0.138 0.000 0.620 204 A CB -0.619 18.330 19.000 -0.085 0.000 0.819 204 A HN 0.284 nan 8.150 nan 0.000 0.442 205 S N -0.343 115.315 115.700 -0.069 0.000 2.353 205 S HA -0.165 4.305 4.470 -0.001 0.000 0.222 205 S C 1.935 176.452 174.600 -0.140 0.000 1.035 205 S CA 1.542 59.677 58.200 -0.109 0.000 1.025 205 S CB -0.572 62.513 63.200 -0.191 0.000 0.902 205 S HN 0.353 nan 8.310 nan 0.000 0.440 206 V N 1.569 121.405 119.914 -0.130 0.000 2.282 206 V HA -0.225 3.895 4.120 -0.001 0.000 0.249 206 V C 2.593 178.623 176.094 -0.105 0.000 1.057 206 V CA 2.089 64.319 62.300 -0.118 0.000 1.032 206 V CB -1.500 30.239 31.823 -0.141 0.000 0.645 206 V HN 0.614 nan 8.190 nan 0.000 0.447 207 G N -1.066 107.625 108.800 -0.183 0.000 2.422 207 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.218 207 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.218 207 G C 1.583 176.462 174.900 -0.036 0.000 1.146 207 G CA 0.944 45.905 45.100 -0.231 0.000 0.769 207 G HN 0.463 nan 8.290 nan 0.000 0.547 208 M N -0.112 119.481 119.600 -0.011 0.000 2.296 208 M HA 0.006 4.485 4.480 -0.001 0.000 0.265 208 M C 2.176 178.576 176.300 0.167 0.000 1.064 208 M CA 0.840 56.260 55.300 0.199 0.000 1.109 208 M CB -0.245 32.484 32.600 0.215 0.000 1.396 208 M HN 0.182 nan 8.290 nan 0.000 0.430 209 H N -0.259 118.910 119.070 0.166 0.000 2.502 209 H HA 0.106 4.661 4.556 -0.001 0.000 0.283 209 H C 2.061 177.558 175.328 0.283 0.000 1.015 209 H CA 1.087 57.216 56.048 0.135 0.000 1.298 209 H CB -0.016 29.715 29.762 -0.051 0.000 1.411 209 H HN 0.413 nan 8.280 nan 0.000 0.556 210 I N 0.275 121.085 120.570 0.400 0.000 2.439 210 I HA -0.202 3.968 4.170 -0.001 0.000 0.251 210 I C 2.101 178.443 176.117 0.375 0.000 1.139 210 I CA 0.717 62.306 61.300 0.481 0.000 1.438 210 I CB 0.036 38.258 38.000 0.370 0.000 1.085 210 I HN 0.116 nan 8.210 nan 0.000 0.427 211 L N -0.615 120.794 121.223 0.310 0.000 2.127 211 L HA -0.021 4.319 4.340 -0.001 0.000 0.203 211 L C 1.509 178.480 176.870 0.169 0.000 1.080 211 L CA 0.302 55.328 54.840 0.310 0.000 0.768 211 L CB -0.209 42.068 42.059 0.363 0.000 0.924 211 L HN 0.043 nan 8.230 nan 0.000 0.444 212 S N 0.137 115.838 115.700 0.002 0.000 2.481 212 S HA 0.071 4.541 4.470 -0.001 0.000 0.282 212 S C -1.487 172.984 174.600 -0.215 0.000 1.243 212 S CA -1.287 56.706 58.200 -0.344 0.000 1.078 212 S CB 0.820 63.314 63.200 -1.177 0.000 0.916 212 S HN -0.068 nan 8.310 nan 0.000 0.495 213 P HA -0.072 nan 4.420 nan 0.000 0.216 213 P C 1.321 178.539 177.300 -0.137 0.000 1.150 213 P CA 1.105 64.138 63.100 -0.113 0.000 0.843 213 P CB -0.052 31.590 31.700 -0.096 0.000 0.787 214 G N -1.831 106.841 108.800 -0.214 0.000 2.848 214 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.208 214 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.208 214 G C 1.221 176.041 174.900 -0.133 0.000 1.152 214 G CA 0.416 45.410 45.100 -0.176 0.000 0.789 214 G HN 0.224 nan 8.290 nan 0.000 0.531 215 S N -0.687 114.955 115.700 -0.096 0.000 2.575 215 S HA 0.120 4.589 4.470 -0.001 0.000 0.230 215 S C 2.144 176.835 174.600 0.150 0.000 1.062 215 S CA -0.497 57.739 58.200 0.060 0.000 0.913 215 S CB 0.276 63.619 63.200 0.238 0.000 0.837 215 S HN 0.341 nan 8.310 nan 0.000 0.487 216 R N 1.991 122.524 120.500 0.055 0.000 2.119 216 R HA -0.144 4.196 4.340 -0.001 0.000 0.246 216 R C 0.709 176.810 176.300 -0.332 0.000 1.146 216 R CA 1.805 57.831 56.100 -0.123 0.000 0.962 216 R CB -0.513 29.735 30.300 -0.087 0.000 0.863 216 R HN 0.296 nan 8.270 nan 0.000 0.442 217 D N 0.289 120.570 120.400 -0.199 0.000 2.363 217 D HA -0.010 4.629 4.640 -0.001 0.000 0.220 217 D C 1.336 177.502 176.300 -0.224 0.000 0.994 217 D CA 0.665 54.535 54.000 -0.217 0.000 0.890 217 D CB 0.089 40.783 40.800 -0.176 0.000 0.906 217 D HN 0.246 nan 8.370 nan 0.000 0.530 218 L N -0.226 120.919 121.223 -0.131 0.000 2.591 218 L HA 0.182 4.521 4.340 -0.001 0.000 0.228 218 L C -0.086 176.893 176.870 0.182 0.000 1.133 218 L CA -0.075 54.743 54.840 -0.036 0.000 0.880 218 L CB -0.360 41.703 42.059 0.007 0.000 1.033 218 L HN -0.049 nan 8.230 nan 0.000 0.450 219 F N -4.051 115.883 119.950 -0.027 0.000 2.711 219 F HA 0.587 5.113 4.527 -0.001 0.000 0.313 219 F C 0.377 176.188 175.800 0.017 0.000 1.141 219 F CA -1.332 56.673 58.000 0.008 0.000 0.941 219 F CB 1.157 40.161 39.000 0.006 0.000 1.349 219 F HN -0.400 nan 8.300 nan 0.000 0.464 220 R N 0.552 121.121 120.500 0.115 0.000 2.121 220 R HA 0.485 4.825 4.340 -0.001 0.000 0.206 220 R C -0.085 176.258 176.300 0.072 0.000 1.094 220 R CA 0.903 57.001 56.100 -0.003 0.000 1.055 220 R CB 0.313 30.613 30.300 0.001 0.000 0.964 220 R HN 0.787 nan 8.270 nan 0.000 0.473 221 R N -1.242 119.393 120.500 0.224 0.000 2.905 221 R HA 0.779 5.119 4.340 -0.001 0.000 0.260 221 R C -1.407 175.123 176.300 0.383 0.000 1.086 221 R CA -0.756 55.480 56.100 0.228 0.000 0.978 221 R CB 2.065 32.323 30.300 -0.070 0.000 1.215 221 R HN 0.167 nan 8.270 nan 0.000 0.480 222 A N 1.089 124.125 122.820 0.360 0.000 2.486 222 A HA 0.695 5.015 4.320 -0.001 0.000 0.300 222 A C -1.187 176.505 177.584 0.181 0.000 1.048 222 A CA -0.632 51.547 52.037 0.237 0.000 0.696 222 A CB 1.294 20.394 19.000 0.168 0.000 1.278 222 A HN 0.575 nan 8.150 nan 0.000 0.405 223 I N 1.972 122.606 120.570 0.107 0.000 2.447 223 I HA 0.363 4.533 4.170 -0.001 0.000 0.287 223 I C -1.490 174.668 176.117 0.068 0.000 1.023 223 I CA -0.581 60.711 61.300 -0.012 0.000 1.083 223 I CB 1.886 39.832 38.000 -0.091 0.000 1.245 223 I HN 0.434 nan 8.210 nan 0.000 0.434 224 L N 6.729 127.962 121.223 0.017 0.000 2.319 224 L HA 0.439 4.779 4.340 -0.001 0.000 0.281 224 L C -0.373 176.567 176.870 0.117 0.000 1.005 224 L CA -0.242 54.613 54.840 0.025 0.000 0.828 224 L CB 1.423 43.434 42.059 -0.081 0.000 1.227 224 L HN 0.488 nan 8.230 nan 0.000 0.415 225 Q N 1.871 121.792 119.800 0.202 0.000 2.372 225 Q HA 0.432 4.772 4.340 -0.001 0.000 0.259 225 Q C 0.091 176.207 176.000 0.194 0.000 0.993 225 Q CA -0.481 55.507 55.803 0.308 0.000 0.854 225 Q CB 1.322 30.335 28.738 0.458 0.000 1.231 225 Q HN 0.668 nan 8.270 nan 0.000 0.462 226 S N 1.130 116.934 115.700 0.174 0.000 3.549 226 S HA -0.185 4.285 4.470 -0.001 0.000 0.366 226 S C 0.032 174.785 174.600 0.254 0.000 1.012 226 S CA 0.576 58.902 58.200 0.210 0.000 1.141 226 S CB -1.131 62.225 63.200 0.259 0.000 0.910 226 S HN 0.930 nan 8.310 nan 0.000 0.471 227 G N -0.698 108.187 108.800 0.141 0.000 2.702 227 G HA2 0.614 4.574 3.960 -0.001 0.000 0.296 227 G HA3 0.614 4.574 3.960 -0.001 0.000 0.296 227 G C -1.299 173.551 174.900 -0.085 0.000 1.463 227 G CA 0.192 45.376 45.100 0.139 0.000 0.890 227 G HN 0.535 nan 8.290 nan 0.000 0.534 228 S N 0.985 116.559 115.700 -0.210 0.000 2.536 228 S HA 0.734 5.204 4.470 -0.001 0.000 0.271 228 S C -1.804 172.501 174.600 -0.490 0.000 1.134 228 S CA -1.094 56.839 58.200 -0.445 0.000 0.897 228 S CB 2.430 65.420 63.200 -0.351 0.000 1.094 228 S HN 0.341 nan 8.310 nan 0.000 0.473 229 P HA -0.136 nan 4.420 nan 0.000 0.218 229 P C 0.417 177.485 177.300 -0.388 0.000 1.146 229 P CA 1.388 64.249 63.100 -0.398 0.000 0.813 229 P CB -0.571 30.940 31.700 -0.315 0.000 0.778 230 N N -1.629 116.866 118.700 -0.341 0.000 2.314 230 N HA 0.061 4.801 4.740 -0.001 0.000 0.200 230 N C 0.005 175.274 175.510 -0.402 0.000 1.135 230 N CA -0.425 52.455 53.050 -0.284 0.000 0.835 230 N CB -0.606 37.830 38.487 -0.086 0.000 0.989 230 N HN -0.076 nan 8.380 nan 0.000 0.478 231 C N 2.845 121.789 119.300 -0.594 0.000 2.634 231 C HA 0.072 4.532 4.460 -0.001 0.000 0.418 231 C C -0.147 174.330 174.990 -0.856 0.000 1.373 231 C CA -1.143 57.372 59.018 -0.837 0.000 1.756 231 C CB 0.868 27.774 27.740 -1.389 0.000 2.589 231 C HN 0.449 nan 8.230 nan 0.000 0.602 232 P HA -0.142 nan 4.420 nan 0.000 0.220 232 P C 1.155 178.246 177.300 -0.349 0.000 1.144 232 P CA 1.944 64.761 63.100 -0.470 0.000 0.800 232 P CB -0.075 31.351 31.700 -0.457 0.000 0.772 233 W N -1.590 119.560 121.300 -0.251 0.000 3.107 233 W HA 0.551 5.211 4.660 -0.000 0.000 0.293 233 W C 1.367 177.901 176.519 0.026 0.000 1.239 233 W CA 0.348 57.601 57.345 -0.152 0.000 1.653 233 W CB -1.081 28.271 29.460 -0.180 0.000 1.068 233 W HN -0.125 nan 8.180 nan 0.000 0.615 234 A N 1.567 124.023 122.820 -0.606 0.000 2.168 234 A HA 0.107 4.427 4.320 -0.001 0.000 0.215 234 A C 1.089 178.483 177.584 -0.316 0.000 1.152 234 A CA 1.387 53.190 52.037 -0.390 0.000 0.716 234 A CB -0.601 17.941 19.000 -0.763 0.000 0.794 234 A HN 0.263 nan 8.150 nan 0.000 0.465 235 S N -2.125 113.388 115.700 -0.312 0.000 2.588 235 S HA 0.633 5.103 4.470 -0.001 0.000 0.269 235 S C -0.834 173.628 174.600 -0.230 0.000 1.157 235 S CA -0.101 57.912 58.200 -0.312 0.000 0.824 235 S CB 1.307 64.265 63.200 -0.403 0.000 1.126 235 S HN 1.371 nan 8.310 nan 0.000 0.464 236 V N -1.043 118.755 119.914 -0.195 0.000 3.159 236 V HA 0.937 5.057 4.120 -0.001 0.000 0.308 236 V C 0.172 176.188 176.094 -0.131 0.000 1.190 236 V CA -0.414 61.797 62.300 -0.148 0.000 1.037 236 V CB 1.131 32.882 31.823 -0.121 0.000 1.060 236 V HN 1.544 nan 8.190 nan 0.000 0.437 237 S N 0.730 116.364 115.700 -0.109 0.000 2.608 237 S HA 0.362 4.832 4.470 -0.001 0.000 0.261 237 S C 1.031 175.584 174.600 -0.079 0.000 1.314 237 S CA 0.199 58.341 58.200 -0.097 0.000 0.992 237 S CB 1.296 64.449 63.200 -0.078 0.000 0.935 237 S HN 1.092 nan 8.310 nan 0.000 0.564 238 V N 1.484 121.344 119.914 -0.089 0.000 2.343 238 V HA -0.158 3.962 4.120 -0.001 0.000 0.247 238 V C 2.916 178.998 176.094 -0.021 0.000 1.051 238 V CA 2.337 64.593 62.300 -0.075 0.000 1.036 238 V CB -1.751 29.982 31.823 -0.151 0.000 0.654 238 V HN 0.998 nan 8.190 nan 0.000 0.451 239 A N -0.088 122.715 122.820 -0.027 0.000 1.877 239 A HA -0.243 4.076 4.320 -0.001 0.000 0.216 239 A C 2.203 179.769 177.584 -0.030 0.000 1.186 239 A CA 2.004 54.031 52.037 -0.017 0.000 0.620 239 A CB -0.536 18.452 19.000 -0.019 0.000 0.822 239 A HN 0.534 nan 8.150 nan 0.000 0.443 240 E N 0.141 120.312 120.200 -0.048 0.000 2.110 240 E HA -0.053 4.297 4.350 -0.001 0.000 0.193 240 E C 1.968 178.529 176.600 -0.065 0.000 0.988 240 E CA 1.580 57.937 56.400 -0.070 0.000 0.804 240 E CB -0.843 28.805 29.700 -0.087 0.000 0.745 240 E HN 0.404 nan 8.360 nan 0.000 0.458 241 G N 0.645 109.421 108.800 -0.040 0.000 2.421 241 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.216 241 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.216 241 G C 1.756 176.667 174.900 0.019 0.000 1.171 241 G CA 0.890 45.988 45.100 -0.002 0.000 0.775 241 G HN 0.325 nan 8.290 nan 0.000 0.543 242 R N 0.309 120.816 120.500 0.011 0.000 2.073 242 R HA -0.026 4.314 4.340 -0.001 0.000 0.234 242 R C 2.582 178.879 176.300 -0.004 0.000 1.134 242 R CA 1.477 57.583 56.100 0.010 0.000 0.952 242 R CB -0.385 29.924 30.300 0.016 0.000 0.850 242 R HN 0.317 nan 8.270 nan 0.000 0.433 243 R N 0.446 120.933 120.500 -0.021 0.000 2.103 243 R HA -0.157 4.183 4.340 -0.001 0.000 0.242 243 R C 2.200 178.476 176.300 -0.039 0.000 1.142 243 R CA 1.904 57.982 56.100 -0.037 0.000 0.960 243 R CB -0.099 30.165 30.300 -0.060 0.000 0.858 243 R HN 0.292 nan 8.270 nan 0.000 0.439 244 R N -0.429 120.043 120.500 -0.046 0.000 2.115 244 R HA -0.024 4.316 4.340 -0.001 0.000 0.226 244 R C 2.314 178.670 176.300 0.092 0.000 1.100 244 R CA 1.104 57.173 56.100 -0.051 0.000 0.980 244 R CB -0.211 29.976 30.300 -0.189 0.000 0.875 244 R HN 0.243 nan 8.270 nan 0.000 0.445 245 A N 0.791 123.678 122.820 0.113 0.000 1.898 245 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 245 A C 2.336 179.923 177.584 0.006 0.000 1.181 245 A CA 1.197 53.276 52.037 0.070 0.000 0.620 245 A CB -0.462 18.524 19.000 -0.024 0.000 0.819 245 A HN 0.090 nan 8.150 nan 0.000 0.442 246 V N 0.097 120.010 119.914 -0.002 0.000 2.295 246 V HA -0.238 3.882 4.120 -0.001 0.000 0.246 246 V C 2.589 178.683 176.094 -0.001 0.000 1.049 246 V CA 2.400 64.694 62.300 -0.010 0.000 1.024 246 V CB -0.736 31.080 31.823 -0.011 0.000 0.648 246 V HN 0.707 nan 8.190 nan 0.000 0.447 247 E N 0.269 120.469 120.200 0.001 0.000 2.153 247 E HA -0.225 4.125 4.350 -0.001 0.000 0.194 247 E C 1.894 178.509 176.600 0.024 0.000 0.988 247 E CA 1.175 57.576 56.400 0.001 0.000 0.811 247 E CB -0.376 29.310 29.700 -0.022 0.000 0.746 247 E HN 0.458 nan 8.360 nan 0.000 0.466 248 L N -0.467 120.789 121.223 0.055 0.000 2.093 248 L HA 0.094 4.434 4.340 -0.001 0.000 0.208 248 L C 2.118 179.002 176.870 0.023 0.000 1.085 248 L CA 2.181 57.065 54.840 0.074 0.000 0.755 248 L CB -0.858 41.279 42.059 0.131 0.000 0.904 248 L HN 0.225 nan 8.230 nan 0.000 0.435 249 G N -1.011 107.790 108.800 0.001 0.000 2.408 249 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.217 249 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.217 249 G C 1.798 176.702 174.900 0.006 0.000 1.150 249 G CA 0.621 45.718 45.100 -0.006 0.000 0.776 249 G HN 0.386 nan 8.290 nan 0.000 0.542 250 R N 0.439 120.944 120.500 0.008 0.000 2.120 250 R HA -0.015 4.324 4.340 -0.001 0.000 0.234 250 R C 2.127 178.437 176.300 0.017 0.000 1.123 250 R CA 1.221 57.328 56.100 0.011 0.000 0.975 250 R CB -0.281 30.023 30.300 0.007 0.000 0.866 250 R HN 0.297 nan 8.270 nan 0.000 0.446 251 N N 0.187 118.900 118.700 0.023 0.000 2.396 251 N HA -0.086 4.653 4.740 -0.001 0.000 0.180 251 N C 0.856 176.386 175.510 0.032 0.000 1.028 251 N CA 0.797 53.866 53.050 0.032 0.000 0.893 251 N CB 0.217 38.730 38.487 0.043 0.000 0.967 251 N HN 0.277 nan 8.380 nan 0.000 0.440 252 L N 0.814 122.052 121.223 0.026 0.000 2.818 252 L HA 0.204 4.544 4.340 -0.001 0.000 0.243 252 L C -0.333 176.549 176.870 0.019 0.000 1.185 252 L CA -0.140 54.714 54.840 0.024 0.000 0.988 252 L CB -0.061 42.010 42.059 0.020 0.000 1.292 252 L HN 0.026 nan 8.230 nan 0.000 0.519 253 N N -0.481 118.230 118.700 0.019 0.000 2.727 253 N HA -0.171 4.568 4.740 -0.001 0.000 0.251 253 N C -0.302 175.218 175.510 0.016 0.000 1.040 253 N CA 0.491 53.551 53.050 0.017 0.000 0.712 253 N CB -1.885 36.614 38.487 0.019 0.000 0.912 253 N HN 0.273 nan 8.380 nan 0.000 0.545 254 c N 0.789 119.398 118.600 0.014 0.000 2.351 254 c HA 0.322 4.892 4.570 -0.001 0.000 0.359 254 c C 1.264 175.365 174.090 0.018 0.000 1.193 254 c CA -0.978 55.360 56.329 0.014 0.000 2.270 254 c CB 1.331 43.846 42.510 0.008 0.000 2.369 254 c HN 0.429 nan 8.230 nan 0.000 0.553 255 N N 1.680 120.396 118.700 0.026 0.000 2.475 255 N HA 0.160 4.900 4.740 -0.001 0.000 0.267 255 N C -0.309 175.214 175.510 0.021 0.000 1.169 255 N CA 0.232 53.298 53.050 0.027 0.000 0.947 255 N CB 0.463 38.973 38.487 0.039 0.000 1.061 255 N HN 0.634 nan 8.380 nan 0.000 0.466 256 L N 3.272 124.504 121.223 0.014 0.000 3.017 256 L HA 0.248 4.588 4.340 -0.001 0.000 0.255 256 L C 1.195 178.070 176.870 0.008 0.000 1.247 256 L CA -0.140 54.705 54.840 0.008 0.000 1.038 256 L CB -0.250 41.811 42.059 0.004 0.000 1.380 256 L HN 0.527 nan 8.230 nan 0.000 0.548 257 N N 0.177 118.884 118.700 0.011 0.000 2.396 257 N HA -0.061 4.678 4.740 -0.001 0.000 0.180 257 N C 0.415 175.929 175.510 0.007 0.000 1.028 257 N CA 0.676 53.732 53.050 0.009 0.000 0.893 257 N CB 0.330 38.824 38.487 0.011 0.000 0.967 257 N HN 0.394 nan 8.380 nan 0.000 0.440 258 S N -1.506 114.198 115.700 0.008 0.000 2.595 258 S HA 0.203 4.672 4.470 -0.001 0.000 0.270 258 S C -0.517 174.086 174.600 0.005 0.000 1.145 258 S CA -0.911 57.292 58.200 0.005 0.000 0.825 258 S CB 1.386 64.589 63.200 0.005 0.000 1.107 258 S HN -0.211 nan 8.310 nan 0.000 0.461 259 D N 1.168 121.567 120.400 -0.002 0.000 2.123 259 D HA -0.054 4.586 4.640 -0.001 0.000 0.196 259 D C 1.548 177.854 176.300 0.010 0.000 0.992 259 D CA 1.952 55.948 54.000 -0.007 0.000 0.833 259 D CB -0.226 40.566 40.800 -0.014 0.000 0.954 259 D HN 0.689 nan 8.370 nan 0.000 0.455 260 E N 0.822 121.031 120.200 0.015 0.000 2.058 260 E HA -0.153 4.196 4.350 -0.001 0.000 0.194 260 E C 2.037 178.672 176.600 0.059 0.000 0.997 260 E CA 0.917 57.335 56.400 0.030 0.000 0.801 260 E CB -0.191 29.516 29.700 0.012 0.000 0.746 260 E HN 0.327 nan 8.360 nan 0.000 0.450 261 E N 0.083 120.312 120.200 0.048 0.000 2.072 261 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 261 E C 2.147 178.800 176.600 0.088 0.000 0.985 261 E CA 0.641 57.086 56.400 0.075 0.000 0.801 261 E CB -0.283 29.445 29.700 0.046 0.000 0.750 261 E HN 0.158 nan 8.360 nan 0.000 0.452 262 L N 1.353 122.603 121.223 0.045 0.000 1.994 262 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 262 L C 2.239 179.124 176.870 0.024 0.000 1.071 262 L CA 1.521 56.372 54.840 0.019 0.000 0.745 262 L CB -0.629 41.420 42.059 -0.015 0.000 0.892 262 L HN 0.045 nan 8.230 nan 0.000 0.431 263 I N -0.912 119.679 120.570 0.035 0.000 2.208 263 I HA -0.335 3.834 4.170 -0.001 0.000 0.245 263 I C 2.555 178.765 176.117 0.154 0.000 1.097 263 I CA 1.568 62.912 61.300 0.073 0.000 1.363 263 I CB -0.601 37.449 38.000 0.083 0.000 1.051 263 I HN 0.470 nan 8.210 nan 0.000 0.413 264 H N 0.321 119.427 119.070 0.061 0.000 2.353 264 H HA -0.233 4.323 4.556 -0.001 0.000 0.300 264 H C 2.359 177.724 175.328 0.061 0.000 1.090 264 H CA 2.048 58.131 56.048 0.059 0.000 1.327 264 H CB -0.400 29.384 29.762 0.037 0.000 1.383 264 H HN 0.454 nan 8.280 nan 0.000 0.508 265 c N -0.080 118.479 118.600 -0.069 0.000 2.453 265 c HA -0.064 4.505 4.570 -0.001 0.000 0.277 265 c C 2.795 176.847 174.090 -0.063 0.000 1.262 265 c CA 0.976 57.239 56.329 -0.111 0.000 1.718 265 c CB -1.423 41.080 42.510 -0.012 0.000 2.031 265 c HN 0.668 nan 8.230 nan 0.000 0.480 266 L N 0.324 121.561 121.223 0.024 0.000 2.127 266 L HA -0.121 4.219 4.340 -0.001 0.000 0.211 266 L C 2.932 179.880 176.870 0.130 0.000 1.089 266 L CA 1.521 56.425 54.840 0.106 0.000 0.757 266 L CB -0.677 41.483 42.059 0.168 0.000 0.899 266 L HN 0.373 nan 8.230 nan 0.000 0.434 267 R N -0.420 120.133 120.500 0.088 0.000 2.189 267 R HA -0.075 4.264 4.340 -0.001 0.000 0.218 267 R C 1.794 178.052 176.300 -0.070 0.000 1.074 267 R CA 0.546 56.641 56.100 -0.009 0.000 0.991 267 R CB 0.043 30.353 30.300 0.016 0.000 0.883 267 R HN 0.297 nan 8.270 nan 0.000 0.457 268 E N 0.614 120.739 120.200 -0.125 0.000 2.442 268 E HA 0.017 4.367 4.350 -0.001 0.000 0.195 268 E C 0.065 176.636 176.600 -0.048 0.000 1.030 268 E CA 0.577 56.907 56.400 -0.116 0.000 0.869 268 E CB 0.232 29.816 29.700 -0.195 0.000 0.857 268 E HN 0.060 nan 8.360 nan 0.000 0.505 269 K N 1.679 122.065 120.400 -0.024 0.000 2.237 269 K HA 0.199 4.519 4.320 -0.001 0.000 0.270 269 K C 0.499 177.120 176.600 0.035 0.000 1.015 269 K CA -0.146 56.148 56.287 0.010 0.000 0.949 269 K CB 1.050 33.563 32.500 0.022 0.000 0.976 269 K HN -0.077 nan 8.250 nan 0.000 0.472 270 K N 2.360 122.790 120.400 0.049 0.000 2.219 270 K HA 0.056 4.375 4.320 -0.001 0.000 0.258 270 K C -1.626 175.054 176.600 0.133 0.000 1.008 270 K CA -1.569 54.760 56.287 0.069 0.000 0.928 270 K CB 0.085 32.618 32.500 0.055 0.000 0.983 270 K HN 0.172 nan 8.250 nan 0.000 0.484 271 P HA -0.258 nan 4.420 nan 0.000 0.213 271 P C 1.207 178.708 177.300 0.335 0.000 1.176 271 P CA 1.333 64.641 63.100 0.346 0.000 0.919 271 P CB 0.198 31.967 31.700 0.114 0.000 0.791 272 Q N 0.043 119.960 119.800 0.196 0.000 2.297 272 Q HA -0.211 4.129 4.340 -0.001 0.000 0.208 272 Q C 1.891 177.989 176.000 0.163 0.000 0.981 272 Q CA 1.661 57.570 55.803 0.176 0.000 0.876 272 Q CB -0.866 27.942 28.738 0.117 0.000 0.921 272 Q HN 0.370 nan 8.270 nan 0.000 0.446 273 E N -1.000 119.282 120.200 0.135 0.000 2.072 273 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 273 E C 1.612 178.272 176.600 0.100 0.000 0.985 273 E CA 1.043 57.505 56.400 0.103 0.000 0.801 273 E CB -0.016 29.729 29.700 0.075 0.000 0.750 273 E HN 0.255 nan 8.360 nan 0.000 0.452 274 L N 0.595 121.872 121.223 0.090 0.000 2.093 274 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 274 L C 2.157 179.076 176.870 0.081 0.000 1.085 274 L CA 1.324 56.173 54.840 0.017 0.000 0.755 274 L CB -0.305 41.651 42.059 -0.171 0.000 0.904 274 L HN 0.150 nan 8.230 nan 0.000 0.435 275 I N -0.720 119.961 120.570 0.186 0.000 2.394 275 I HA -0.237 3.933 4.170 -0.001 0.000 0.251 275 I C 1.796 178.085 176.117 0.285 0.000 1.136 275 I CA 0.825 62.289 61.300 0.273 0.000 1.425 275 I CB -0.363 37.853 38.000 0.360 0.000 1.079 275 I HN 0.238 nan 8.210 nan 0.000 0.425 276 D N 0.515 121.052 120.400 0.228 0.000 2.218 276 D HA -0.108 4.531 4.640 -0.001 0.000 0.204 276 D C 1.946 178.374 176.300 0.213 0.000 0.976 276 D CA 1.443 55.577 54.000 0.223 0.000 0.853 276 D CB 0.109 41.005 40.800 0.160 0.000 0.939 276 D HN 0.381 nan 8.370 nan 0.000 0.481 277 V N -2.052 117.964 119.914 0.170 0.000 3.528 277 V HA 0.186 4.305 4.120 -0.001 0.000 0.294 277 V C 1.797 177.970 176.094 0.132 0.000 1.404 277 V CA 0.023 62.410 62.300 0.144 0.000 1.065 277 V CB 0.290 32.173 31.823 0.100 0.000 0.904 277 V HN -0.066 nan 8.190 nan 0.000 0.435 278 E N 1.033 121.306 120.200 0.123 0.000 2.086 278 E HA -0.276 4.073 4.350 -0.001 0.000 0.200 278 E C 1.488 177.982 176.600 -0.177 0.000 1.012 278 E CA 2.641 59.048 56.400 0.012 0.000 0.812 278 E CB -0.256 29.387 29.700 -0.096 0.000 0.743 278 E HN 0.798 nan 8.360 nan 0.000 0.453 279 W N 0.827 122.124 121.300 -0.006 0.000 3.077 279 W HA 0.061 4.721 4.660 -0.001 0.000 0.245 279 W C 1.355 177.836 176.519 -0.062 0.000 1.316 279 W CA -0.077 57.220 57.345 -0.079 0.000 1.537 279 W CB 0.054 29.436 29.460 -0.131 0.000 1.131 279 W HN 0.098 nan 8.180 nan 0.000 0.695 280 N N 0.109 118.881 118.700 0.120 0.000 2.461 280 N HA -0.069 4.671 4.740 -0.001 0.000 0.188 280 N C 1.680 177.190 175.510 -0.001 0.000 1.134 280 N CA 1.145 54.236 53.050 0.068 0.000 0.878 280 N CB -0.263 38.266 38.487 0.069 0.000 0.972 280 N HN 0.271 nan 8.380 nan 0.000 0.456 281 V N -2.306 117.571 119.914 -0.062 0.000 3.650 281 V HA 0.252 4.372 4.120 -0.001 0.000 0.271 281 V C 0.829 176.812 176.094 -0.185 0.000 1.281 281 V CA -0.102 62.120 62.300 -0.129 0.000 1.120 281 V CB -0.569 31.144 31.823 -0.184 0.000 0.856 281 V HN -0.028 nan 8.190 nan 0.000 0.443 282 L N 2.546 123.676 121.223 -0.155 0.000 2.525 282 L HA 0.153 4.492 4.340 -0.001 0.000 0.278 282 L C -0.225 176.510 176.870 -0.226 0.000 1.218 282 L CA -0.679 54.059 54.840 -0.169 0.000 0.878 282 L CB 0.479 42.504 42.059 -0.057 0.000 1.127 282 L HN 0.177 nan 8.230 nan 0.000 0.492 283 P HA -0.048 nan 4.420 nan 0.000 0.222 283 P C -0.201 176.618 177.300 -0.802 0.000 1.153 283 P CA 1.171 63.845 63.100 -0.711 0.000 0.798 283 P CB 0.300 31.353 31.700 -1.078 0.000 0.796 284 F N -0.756 119.186 119.950 -0.013 0.000 2.640 284 F HA 0.414 4.940 4.527 -0.001 0.000 0.324 284 F C 0.226 176.027 175.800 0.001 0.000 1.077 284 F CA -1.728 56.271 58.000 -0.002 0.000 0.965 284 F CB 0.012 39.015 39.000 0.005 0.000 1.351 284 F HN -0.370 nan 8.300 nan 0.000 0.487 285 D N 1.157 121.693 120.400 0.227 0.000 2.325 285 D HA 0.465 5.104 4.640 -0.001 0.000 0.251 285 D C -0.741 175.629 176.300 0.118 0.000 1.196 285 D CA 0.431 54.504 54.000 0.121 0.000 0.866 285 D CB 0.442 41.293 40.800 0.085 0.000 1.101 285 D HN 0.652 nan 8.370 nan 0.000 0.476 286 S N 2.602 118.356 115.700 0.091 0.000 2.611 286 S HA 0.645 5.115 4.470 -0.001 0.000 0.268 286 S C -0.412 174.211 174.600 0.037 0.000 1.156 286 S CA -1.047 57.195 58.200 0.071 0.000 0.817 286 S CB 0.491 63.759 63.200 0.112 0.000 1.122 286 S HN 0.457 nan 8.310 nan 0.000 0.466 287 I N -2.520 118.066 120.570 0.028 0.000 2.797 287 I HA 0.806 4.976 4.170 -0.001 0.000 0.307 287 I C -0.271 175.832 176.117 -0.023 0.000 1.033 287 I CA -1.105 60.207 61.300 0.020 0.000 1.071 287 I CB 1.047 39.082 38.000 0.058 0.000 1.255 287 I HN 0.777 nan 8.210 nan 0.000 0.445 288 F N 1.863 121.575 119.950 -0.396 0.000 3.074 288 F HA -0.173 4.353 4.527 -0.001 0.000 0.287 288 F C -0.389 174.829 175.800 -0.969 0.000 0.932 288 F CA 0.567 58.024 58.000 -0.904 0.000 0.995 288 F CB -0.650 37.892 39.000 -0.764 0.000 0.966 288 F HN 0.599 nan 8.300 nan 0.000 0.721 289 R N 0.674 120.718 120.500 -0.760 0.000 2.574 289 R HA 0.576 4.916 4.340 -0.001 0.000 0.288 289 R C -1.046 174.870 176.300 -0.639 0.000 1.004 289 R CA -0.544 55.177 56.100 -0.631 0.000 0.895 289 R CB 1.249 31.446 30.300 -0.172 0.000 1.191 289 R HN -0.018 nan 8.270 nan 0.000 0.444 290 F N -0.447 119.574 119.950 0.119 0.000 2.532 290 F HA 0.385 4.912 4.527 -0.001 0.000 0.321 290 F C 1.629 177.314 175.800 -0.193 0.000 1.089 290 F CA -0.918 57.072 58.000 -0.017 0.000 0.926 290 F CB 1.631 40.746 39.000 0.192 0.000 1.168 290 F HN 0.349 nan 8.300 nan 0.000 0.459 291 S N 0.821 116.336 115.700 -0.308 0.000 2.351 291 S HA -0.102 4.368 4.470 -0.001 0.000 0.220 291 S C 0.114 174.230 174.600 -0.806 0.000 1.035 291 S CA 1.359 59.160 58.200 -0.664 0.000 1.031 291 S CB -0.300 62.321 63.200 -0.965 0.000 0.928 291 S HN 0.357 nan 8.310 nan 0.000 0.433 292 F N 1.566 121.516 119.950 0.000 0.000 2.347 292 F HA 0.567 5.093 4.527 -0.001 0.000 0.366 292 F C 0.045 175.855 175.800 0.017 0.000 1.107 292 F CA -1.011 57.027 58.000 0.064 0.000 1.058 292 F CB 1.116 40.196 39.000 0.133 0.000 1.236 292 F HN -0.064 nan 8.300 nan 0.000 0.456 293 V N 0.834 120.719 119.914 -0.048 0.000 3.158 293 V HA 0.762 4.882 4.120 -0.001 0.000 0.311 293 V C -2.895 172.877 176.094 -0.537 0.000 1.181 293 V CA -3.349 58.606 62.300 -0.576 0.000 1.054 293 V CB 2.006 33.656 31.823 -0.287 0.000 1.085 293 V HN 0.269 nan 8.190 nan 0.000 0.446 294 P HA 0.149 nan 4.420 nan 0.000 0.266 294 P C -0.807 176.403 177.300 -0.149 0.000 1.186 294 P CA 0.438 63.339 63.100 -0.333 0.000 0.767 294 P CB 0.541 31.985 31.700 -0.426 0.000 0.820 295 V N 4.662 124.585 119.914 0.015 0.000 2.555 295 V HA 0.328 4.448 4.120 -0.001 0.000 0.302 295 V C -0.411 175.724 176.094 0.069 0.000 1.038 295 V CA -0.971 61.328 62.300 -0.003 0.000 0.887 295 V CB 1.351 33.190 31.823 0.026 0.000 0.991 295 V HN 0.224 nan 8.190 nan 0.000 0.434 296 I N 7.086 127.623 120.570 -0.056 0.000 2.357 296 I HA 0.214 4.383 4.170 -0.001 0.000 0.300 296 I C 1.007 177.115 176.117 -0.015 0.000 1.159 296 I CA 0.133 61.418 61.300 -0.025 0.000 1.339 296 I CB -0.156 37.754 38.000 -0.150 0.000 1.458 296 I HN 0.814 nan 8.210 nan 0.000 0.577 297 D N 3.270 123.720 120.400 0.083 0.000 2.354 297 D HA 0.040 4.680 4.640 -0.001 0.000 0.209 297 D C 1.414 177.696 176.300 -0.030 0.000 1.015 297 D CA 0.809 54.759 54.000 -0.084 0.000 0.867 297 D CB 0.431 41.277 40.800 0.076 0.000 0.933 297 D HN 0.631 nan 8.370 nan 0.000 0.520 298 G N 0.346 109.199 108.800 0.088 0.000 2.176 298 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.253 298 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.253 298 G C 0.700 175.669 174.900 0.115 0.000 0.979 298 G CA 0.624 45.779 45.100 0.092 0.000 0.641 298 G HN 0.473 nan 8.290 nan 0.000 0.530 299 E N -1.485 118.799 120.200 0.140 0.000 2.645 299 E HA 0.439 4.789 4.350 -0.001 0.000 0.198 299 E C 1.686 178.327 176.600 0.067 0.000 1.091 299 E CA -0.190 56.273 56.400 0.106 0.000 1.096 299 E CB -0.125 29.653 29.700 0.130 0.000 2.013 299 E HN 0.178 nan 8.360 nan 0.000 0.537 300 F N 1.001 120.887 119.950 -0.107 0.000 2.154 300 F HA -0.070 4.457 4.527 -0.001 0.000 0.301 300 F C 0.093 175.633 175.800 -0.434 0.000 1.087 300 F CA 1.206 59.014 58.000 -0.321 0.000 1.274 300 F CB 0.232 38.937 39.000 -0.492 0.000 1.009 300 F HN -0.096 nan 8.300 nan 0.000 0.485 301 F N 0.665 120.772 119.950 0.261 0.000 2.382 301 F HA 0.360 4.887 4.527 -0.001 0.000 0.361 301 F C -1.609 174.231 175.800 0.067 0.000 1.109 301 F CA -2.846 55.242 58.000 0.147 0.000 1.031 301 F CB 0.698 39.780 39.000 0.137 0.000 1.234 301 F HN -0.255 nan 8.300 nan 0.000 0.445 302 P HA -0.110 nan 4.420 nan 0.000 0.214 302 P C 0.513 177.871 177.300 0.097 0.000 1.163 302 P CA 1.834 64.996 63.100 0.102 0.000 0.889 302 P CB 0.182 31.918 31.700 0.060 0.000 0.790 303 T N -5.936 108.680 114.554 0.104 0.000 2.626 303 T HA 0.463 4.813 4.350 -0.001 0.000 0.279 303 T C -0.260 174.470 174.700 0.049 0.000 0.983 303 T CA -0.640 61.496 62.100 0.062 0.000 1.059 303 T CB 0.615 69.507 68.868 0.040 0.000 1.396 303 T HN -0.006 nan 8.240 nan 0.000 0.519 304 S N 0.233 115.939 115.700 0.011 0.000 2.560 304 S HA 0.171 4.640 4.470 -0.001 0.000 0.284 304 S C 1.540 176.131 174.600 -0.014 0.000 1.327 304 S CA -0.737 57.446 58.200 -0.028 0.000 1.055 304 S CB -0.410 62.773 63.200 -0.029 0.000 0.868 304 S HN 0.654 nan 8.310 nan 0.000 0.506 305 L N 0.792 121.968 121.223 -0.077 0.000 2.081 305 L HA -0.143 4.197 4.340 -0.001 0.000 0.212 305 L C 2.894 179.794 176.870 0.050 0.000 1.080 305 L CA 1.990 56.806 54.840 -0.040 0.000 0.754 305 L CB -0.763 41.206 42.059 -0.149 0.000 0.893 305 L HN 0.789 nan 8.230 nan 0.000 0.433 306 E N 0.593 120.815 120.200 0.037 0.000 2.106 306 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 306 E C 2.253 178.914 176.600 0.100 0.000 0.984 306 E CA 1.579 58.037 56.400 0.097 0.000 0.806 306 E CB -0.068 29.672 29.700 0.067 0.000 0.750 306 E HN 0.488 nan 8.360 nan 0.000 0.458 307 S N -0.632 115.106 115.700 0.064 0.000 2.406 307 S HA -0.105 4.365 4.470 -0.001 0.000 0.228 307 S C 2.101 176.739 174.600 0.064 0.000 1.020 307 S CA 1.020 59.254 58.200 0.057 0.000 0.965 307 S CB -0.305 62.915 63.200 0.033 0.000 0.798 307 S HN 0.236 nan 8.310 nan 0.000 0.488 308 M N 0.955 120.609 119.600 0.090 0.000 2.132 308 M HA 0.084 4.564 4.480 -0.001 0.000 0.263 308 M C 2.163 178.582 176.300 0.198 0.000 1.065 308 M CA 1.343 56.714 55.300 0.117 0.000 1.122 308 M CB -0.596 32.108 32.600 0.173 0.000 1.365 308 M HN 0.297 nan 8.290 nan 0.000 0.411 309 L N -0.170 121.205 121.223 0.253 0.000 2.083 309 L HA -0.223 4.117 4.340 -0.001 0.000 0.209 309 L C 1.936 178.980 176.870 0.289 0.000 1.083 309 L CA 1.411 56.459 54.840 0.347 0.000 0.752 309 L CB -0.799 41.384 42.059 0.206 0.000 0.899 309 L HN 0.421 nan 8.230 nan 0.000 0.433 310 N N -0.519 118.287 118.700 0.178 0.000 2.120 310 N HA -0.170 4.570 4.740 -0.001 0.000 0.188 310 N C 1.849 177.432 175.510 0.122 0.000 1.024 310 N CA 1.471 54.620 53.050 0.165 0.000 0.852 310 N CB 0.002 38.561 38.487 0.119 0.000 1.003 310 N HN 0.305 nan 8.380 nan 0.000 0.424 311 S N -0.576 115.111 115.700 -0.021 0.000 2.562 311 S HA 0.174 4.644 4.470 -0.001 0.000 0.221 311 S C 1.453 175.675 174.600 -0.629 0.000 0.975 311 S CA 0.424 58.522 58.200 -0.170 0.000 0.918 311 S CB 0.346 63.472 63.200 -0.123 0.000 0.772 311 S HN 0.447 nan 8.310 nan 0.000 0.531 312 G N 1.984 110.225 108.800 -0.932 0.000 2.147 312 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.244 312 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.244 312 G C -0.069 173.970 174.900 -1.435 0.000 1.005 312 G CA 0.116 44.001 45.100 -2.024 0.000 0.713 312 G HN 0.681 nan 8.290 nan 0.000 0.515 313 N N 0.298 118.599 118.700 -0.665 0.000 2.819 313 N HA 0.498 5.237 4.740 -0.001 0.000 0.284 313 N C -0.039 175.418 175.510 -0.088 0.000 1.196 313 N CA -0.048 52.804 53.050 -0.329 0.000 1.114 313 N CB -0.240 38.177 38.487 -0.117 0.000 1.437 313 N HN 0.563 nan 8.380 nan 0.000 0.518 314 F N -0.785 119.116 119.950 -0.081 0.000 2.770 314 F HA 0.337 4.864 4.527 -0.000 0.000 0.313 314 F C -0.920 174.904 175.800 0.041 0.000 1.154 314 F CA -1.506 56.516 58.000 0.037 0.000 0.923 314 F CB 0.562 39.651 39.000 0.149 0.000 1.301 314 F HN -0.165 nan 8.300 nan 0.000 0.449 315 K N 2.072 122.735 120.400 0.438 0.000 2.447 315 K HA 0.177 4.496 4.320 -0.001 0.000 0.281 315 K C -0.947 175.922 176.600 0.447 0.000 1.031 315 K CA -0.137 56.317 56.287 0.279 0.000 1.019 315 K CB 0.463 33.060 32.500 0.161 0.000 0.918 315 K HN 0.751 nan 8.250 nan 0.000 0.476 316 K N 3.469 124.003 120.400 0.223 0.000 2.292 316 K HA 0.157 4.476 4.320 -0.001 0.000 0.270 316 K C -0.232 176.485 176.600 0.195 0.000 1.062 316 K CA -0.400 56.014 56.287 0.212 0.000 0.916 316 K CB 1.740 34.268 32.500 0.047 0.000 1.166 316 K HN 0.646 nan 8.250 nan 0.000 0.458 317 T N 1.411 116.164 114.554 0.331 0.000 2.606 317 T HA 0.217 4.567 4.350 -0.001 0.000 0.289 317 T C -1.443 173.455 174.700 0.329 0.000 1.113 317 T CA -0.557 61.687 62.100 0.240 0.000 1.106 317 T CB 0.994 69.966 68.868 0.174 0.000 1.611 317 T HN 0.421 nan 8.240 nan 0.000 0.471 318 Q N 0.929 120.887 119.800 0.263 0.000 2.235 318 Q HA 0.775 5.114 4.340 -0.001 0.000 0.256 318 Q C -0.447 175.831 176.000 0.463 0.000 0.951 318 Q CA -0.531 55.481 55.803 0.349 0.000 0.890 318 Q CB 1.601 30.516 28.738 0.296 0.000 1.279 318 Q HN 0.688 nan 8.270 nan 0.000 0.444 319 I N -1.563 119.256 120.570 0.414 0.000 2.894 319 I HA 0.705 4.875 4.170 -0.001 0.000 0.302 319 I C -1.650 174.370 176.117 -0.161 0.000 1.188 319 I CA -1.374 60.045 61.300 0.198 0.000 1.014 319 I CB 1.903 39.847 38.000 -0.094 0.000 1.242 319 I HN 0.565 nan 8.210 nan 0.000 0.430 320 L N 6.648 127.537 121.223 -0.556 0.000 2.381 320 L HA 0.811 5.150 4.340 -0.001 0.000 0.274 320 L C -1.354 175.301 176.870 -0.358 0.000 0.988 320 L CA -0.524 53.870 54.840 -0.743 0.000 0.824 320 L CB 1.699 42.781 42.059 -1.629 0.000 1.263 320 L HN 0.846 nan 8.230 nan 0.000 0.410 321 L N 2.234 123.378 121.223 -0.131 0.000 2.720 321 L HA 1.097 5.437 4.340 -0.001 0.000 0.261 321 L C -0.834 175.852 176.870 -0.306 0.000 1.046 321 L CA -0.474 54.325 54.840 -0.068 0.000 0.886 321 L CB 1.817 43.824 42.059 -0.087 0.000 1.493 321 L HN 0.678 nan 8.230 nan 0.000 0.407 322 G N -0.134 108.274 108.800 -0.654 0.000 2.430 322 G HA2 0.616 4.575 3.960 -0.001 0.000 0.300 322 G HA3 0.616 4.575 3.960 -0.001 0.000 0.300 322 G C -1.492 173.063 174.900 -0.575 0.000 1.330 322 G CA -0.000 44.332 45.100 -1.279 0.000 0.813 322 G HN 1.443 nan 8.290 nan 0.000 0.487 323 V N -2.577 117.154 119.914 -0.305 0.000 3.167 323 V HA 0.869 4.989 4.120 -0.001 0.000 0.310 323 V C -0.956 175.217 176.094 0.132 0.000 1.207 323 V CA -1.415 60.913 62.300 0.047 0.000 1.059 323 V CB 1.890 33.773 31.823 0.100 0.000 1.079 323 V HN 0.670 nan 8.190 nan 0.000 0.446 324 N N 0.569 119.359 118.700 0.151 0.000 2.459 324 N HA 0.451 5.191 4.740 -0.001 0.000 0.288 324 N C 0.538 176.001 175.510 -0.078 0.000 1.186 324 N CA -0.601 52.516 53.050 0.111 0.000 0.917 324 N CB 1.800 40.452 38.487 0.275 0.000 1.219 324 N HN 0.910 nan 8.380 nan 0.000 0.525 325 K N 0.002 120.270 120.400 -0.220 0.000 2.026 325 K HA -0.066 4.254 4.320 -0.001 0.000 0.208 325 K C -0.638 176.057 176.600 0.158 0.000 1.048 325 K CA 1.267 57.520 56.287 -0.057 0.000 0.929 325 K CB 0.165 32.657 32.500 -0.012 0.000 0.713 325 K HN 0.509 nan 8.250 nan 0.000 0.439 326 D N 1.450 121.937 120.400 0.145 0.000 2.736 326 D HA 0.038 4.678 4.640 -0.001 0.000 0.293 326 D C 0.211 176.630 176.300 0.198 0.000 1.241 326 D CA -0.060 54.046 54.000 0.176 0.000 0.965 326 D CB 1.274 42.161 40.800 0.145 0.000 0.992 326 D HN 0.166 nan 8.370 nan 0.000 0.510 327 E N 0.380 120.715 120.200 0.225 0.000 2.204 327 E HA -0.095 4.255 4.350 -0.001 0.000 0.195 327 E C 1.892 178.652 176.600 0.268 0.000 0.990 327 E CA 0.529 57.089 56.400 0.267 0.000 0.821 327 E CB 0.192 30.040 29.700 0.247 0.000 0.750 327 E HN 0.428 nan 8.360 nan 0.000 0.477 328 G N 0.938 109.884 108.800 0.244 0.000 2.838 328 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.210 328 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.210 328 G C 1.659 176.698 174.900 0.231 0.000 1.153 328 G CA 0.642 45.907 45.100 0.276 0.000 0.778 328 G HN 0.331 nan 8.290 nan 0.000 0.539 329 S N 0.574 116.390 115.700 0.194 0.000 2.383 329 S HA -0.170 4.300 4.470 -0.001 0.000 0.229 329 S C 2.056 176.673 174.600 0.029 0.000 1.030 329 S CA 1.121 59.418 58.200 0.162 0.000 1.002 329 S CB -0.551 62.683 63.200 0.057 0.000 0.829 329 S HN 0.236 nan 8.310 nan 0.000 0.467 330 F N 1.976 121.800 119.950 -0.210 0.000 2.069 330 F HA -0.007 4.520 4.527 -0.001 0.000 0.298 330 F C 1.760 177.311 175.800 -0.414 0.000 1.113 330 F CA 1.459 59.192 58.000 -0.446 0.000 1.214 330 F CB -0.521 38.062 39.000 -0.694 0.000 0.978 330 F HN 0.197 nan 8.300 nan 0.000 0.474 331 F N -0.375 119.543 119.950 -0.055 0.000 2.407 331 F HA -0.048 4.479 4.527 -0.001 0.000 0.299 331 F C 2.052 177.778 175.800 -0.123 0.000 1.097 331 F CA 0.564 58.483 58.000 -0.136 0.000 1.422 331 F CB -0.670 38.199 39.000 -0.218 0.000 1.067 331 F HN -0.054 nan 8.300 nan 0.000 0.539 332 L N -0.742 120.443 121.223 -0.063 0.000 2.109 332 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 332 L C 2.413 179.087 176.870 -0.325 0.000 1.086 332 L CA 0.543 55.143 54.840 -0.399 0.000 0.760 332 L CB -0.528 41.003 42.059 -0.881 0.000 0.910 332 L HN 0.164 nan 8.230 nan 0.000 0.437 333 L N -1.183 120.014 121.223 -0.043 0.000 2.083 333 L HA -0.241 4.098 4.340 -0.001 0.000 0.209 333 L C 2.217 179.097 176.870 0.016 0.000 1.083 333 L CA 1.955 56.887 54.840 0.154 0.000 0.752 333 L CB -0.579 41.577 42.059 0.162 0.000 0.899 333 L HN 0.132 nan 8.230 nan 0.000 0.433 334 Y N -0.989 119.219 120.300 -0.153 0.000 2.457 334 Y HA 0.169 4.719 4.550 -0.001 0.000 0.292 334 Y C 2.268 178.113 175.900 -0.092 0.000 1.125 334 Y CA 1.069 59.088 58.100 -0.135 0.000 1.254 334 Y CB -0.108 38.208 38.460 -0.241 0.000 1.012 334 Y HN 0.272 nan 8.280 nan 0.000 0.555 335 G N -1.624 107.209 108.800 0.056 0.000 2.599 335 G HA2 0.342 4.301 3.960 -0.001 0.000 0.196 335 G HA3 0.342 4.301 3.960 -0.001 0.000 0.196 335 G C 0.183 175.098 174.900 0.025 0.000 1.148 335 G CA 0.316 45.431 45.100 0.024 0.000 0.809 335 G HN 0.261 nan 8.290 nan 0.000 0.764 336 A N 2.245 125.067 122.820 0.002 0.000 2.401 336 A HA 0.629 4.949 4.320 -0.001 0.000 0.259 336 A C -2.068 175.663 177.584 0.244 0.000 1.103 336 A CA -1.054 51.029 52.037 0.076 0.000 0.789 336 A CB 0.176 19.140 19.000 -0.061 0.000 1.035 336 A HN 0.162 nan 8.150 nan 0.000 0.491 337 P HA 0.269 nan 4.420 nan 0.000 0.271 337 P C 0.819 178.193 177.300 0.124 0.000 1.216 337 P CA 1.251 64.430 63.100 0.131 0.000 0.771 337 P CB 1.151 32.893 31.700 0.069 0.000 0.864 338 G N 1.757 110.569 108.800 0.019 0.000 2.234 338 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.235 338 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.235 338 G C -0.243 174.457 174.900 -0.332 0.000 0.997 338 G CA -0.476 44.520 45.100 -0.172 0.000 0.623 338 G HN 0.425 nan 8.290 nan 0.000 0.514 339 F N 1.947 121.816 119.950 -0.135 0.000 2.394 339 F HA 0.754 5.280 4.527 -0.001 0.000 0.340 339 F C 0.729 176.496 175.800 -0.055 0.000 1.105 339 F CA -0.319 57.559 58.000 -0.203 0.000 1.124 339 F CB 2.137 41.045 39.000 -0.154 0.000 1.145 339 F HN 0.029 nan 8.300 nan 0.000 0.505 340 S N 1.444 117.231 115.700 0.144 0.000 2.564 340 S HA 0.269 4.739 4.470 -0.001 0.000 0.274 340 S C 0.584 175.392 174.600 0.347 0.000 1.124 340 S CA -1.046 57.270 58.200 0.195 0.000 0.869 340 S CB 2.266 65.511 63.200 0.076 0.000 1.105 340 S HN 0.713 nan 8.310 nan 0.000 0.472 341 K N 0.619 121.151 120.400 0.220 0.000 2.103 341 K HA -0.032 4.288 4.320 -0.001 0.000 0.204 341 K C -0.069 176.566 176.600 0.058 0.000 1.052 341 K CA 1.350 57.683 56.287 0.076 0.000 0.945 341 K CB 0.042 32.292 32.500 -0.417 0.000 0.722 341 K HN 0.451 nan 8.250 nan 0.000 0.443 342 D N 0.412 120.831 120.400 0.033 0.000 2.340 342 D HA 0.016 4.656 4.640 -0.001 0.000 0.217 342 D C 0.120 176.457 176.300 0.062 0.000 1.081 342 D CA 0.130 54.139 54.000 0.014 0.000 0.842 342 D CB 0.733 41.511 40.800 -0.037 0.000 0.934 342 D HN 0.192 nan 8.370 nan 0.000 0.511 343 S N -0.987 114.778 115.700 0.108 0.000 2.759 343 S HA 0.372 4.841 4.470 -0.001 0.000 0.310 343 S C 0.797 175.453 174.600 0.094 0.000 1.123 343 S CA -0.746 57.487 58.200 0.054 0.000 0.959 343 S CB 2.156 65.343 63.200 -0.022 0.000 1.172 343 S HN -0.141 nan 8.310 nan 0.000 0.539 344 E N 0.419 120.620 120.200 0.003 0.000 2.481 344 E HA 0.114 4.464 4.350 -0.001 0.000 0.195 344 E C -0.447 175.942 176.600 -0.352 0.000 1.047 344 E CA 0.198 56.593 56.400 -0.009 0.000 0.867 344 E CB -0.143 29.556 29.700 -0.000 0.000 0.858 344 E HN 0.666 nan 8.360 nan 0.000 0.513 345 S N 1.349 116.775 115.700 -0.457 0.000 3.631 345 S HA -0.177 4.293 4.470 -0.001 0.000 0.366 345 S C -0.279 173.928 174.600 -0.654 0.000 0.993 345 S CA 0.689 58.450 58.200 -0.731 0.000 1.167 345 S CB -1.158 61.218 63.200 -1.374 0.000 0.909 345 S HN 0.279 nan 8.310 nan 0.000 0.478 346 K N 1.017 121.185 120.400 -0.386 0.000 2.383 346 K HA 0.248 4.567 4.320 -0.001 0.000 0.286 346 K C 0.292 176.701 176.600 -0.319 0.000 1.051 346 K CA -0.202 55.913 56.287 -0.286 0.000 0.974 346 K CB 0.381 32.780 32.500 -0.169 0.000 0.968 346 K HN 0.203 nan 8.250 nan 0.000 0.475 347 I N 3.111 123.497 120.570 -0.306 0.000 2.331 347 I HA 0.024 4.193 4.170 -0.001 0.000 0.292 347 I C 1.079 177.126 176.117 -0.116 0.000 0.998 347 I CA -0.264 60.882 61.300 -0.258 0.000 1.267 347 I CB 0.783 38.635 38.000 -0.247 0.000 1.386 347 I HN 0.649 nan 8.210 nan 0.000 0.476 348 S N 6.214 121.859 115.700 -0.091 0.000 2.596 348 S HA 0.199 4.669 4.470 -0.001 0.000 0.260 348 S C 1.224 175.832 174.600 0.012 0.000 1.336 348 S CA -0.357 57.816 58.200 -0.045 0.000 0.993 348 S CB 1.253 64.432 63.200 -0.035 0.000 0.923 348 S HN 0.656 nan 8.310 nan 0.000 0.567 349 R N 0.618 121.124 120.500 0.010 0.000 2.096 349 R HA -0.066 4.274 4.340 -0.001 0.000 0.235 349 R C 1.891 178.270 176.300 0.131 0.000 1.127 349 R CA 1.747 57.879 56.100 0.052 0.000 0.968 349 R CB -0.566 29.748 30.300 0.024 0.000 0.861 349 R HN 0.818 nan 8.270 nan 0.000 0.440 350 E N 0.419 120.667 120.200 0.080 0.000 2.031 350 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 350 E C 1.563 178.216 176.600 0.088 0.000 0.994 350 E CA 1.716 58.162 56.400 0.077 0.000 0.800 350 E CB -0.208 29.518 29.700 0.042 0.000 0.752 350 E HN 0.334 nan 8.360 nan 0.000 0.447 351 D N -0.627 119.814 120.400 0.069 0.000 2.219 351 D HA -0.123 4.517 4.640 -0.001 0.000 0.205 351 D C 1.567 177.936 176.300 0.116 0.000 0.970 351 D CA 0.440 54.478 54.000 0.064 0.000 0.851 351 D CB -0.211 40.589 40.800 0.000 0.000 0.943 351 D HN 0.111 nan 8.370 nan 0.000 0.488 352 F N 1.085 121.040 119.950 0.008 0.000 2.102 352 F HA -0.141 4.386 4.527 -0.001 0.000 0.298 352 F C 2.268 178.096 175.800 0.046 0.000 1.105 352 F CA 1.280 59.299 58.000 0.030 0.000 1.239 352 F CB -0.176 38.822 39.000 -0.002 0.000 0.991 352 F HN -0.157 nan 8.300 nan 0.000 0.474 353 M N -0.597 119.111 119.600 0.179 0.000 2.117 353 M HA -0.216 4.264 4.480 -0.001 0.000 0.262 353 M C 2.244 178.540 176.300 -0.007 0.000 1.065 353 M CA 1.832 57.185 55.300 0.087 0.000 1.114 353 M CB -0.801 31.883 32.600 0.140 0.000 1.361 353 M HN 0.064 nan 8.290 nan 0.000 0.408 354 S N 0.689 116.399 115.700 0.016 0.000 2.368 354 S HA -0.073 4.396 4.470 -0.001 0.000 0.225 354 S C 2.070 176.656 174.600 -0.023 0.000 1.030 354 S CA 1.406 59.611 58.200 0.007 0.000 0.999 354 S CB -0.815 62.404 63.200 0.031 0.000 0.844 354 S HN 0.691 nan 8.310 nan 0.000 0.459 355 G N 1.370 110.144 108.800 -0.043 0.000 2.418 355 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.217 355 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.217 355 G C 1.447 176.252 174.900 -0.159 0.000 1.158 355 G CA 0.906 45.965 45.100 -0.069 0.000 0.771 355 G HN 0.416 nan 8.290 nan 0.000 0.545 356 V N 0.684 120.435 119.914 -0.271 0.000 2.343 356 V HA -0.167 3.952 4.120 -0.001 0.000 0.247 356 V C 2.670 178.690 176.094 -0.123 0.000 1.051 356 V CA 2.267 64.420 62.300 -0.244 0.000 1.036 356 V CB -0.401 31.263 31.823 -0.265 0.000 0.654 356 V HN 0.393 nan 8.190 nan 0.000 0.451 357 K N -0.387 119.959 120.400 -0.091 0.000 2.147 357 K HA -0.091 4.228 4.320 -0.001 0.000 0.205 357 K C 2.017 178.582 176.600 -0.059 0.000 1.049 357 K CA 1.196 57.441 56.287 -0.070 0.000 0.936 357 K CB -0.121 32.351 32.500 -0.045 0.000 0.722 357 K HN 0.400 nan 8.250 nan 0.000 0.446 358 L N -0.063 121.135 121.223 -0.042 0.000 2.240 358 L HA -0.081 4.259 4.340 -0.001 0.000 0.211 358 L C 2.056 178.920 176.870 -0.011 0.000 1.106 358 L CA 0.729 55.561 54.840 -0.014 0.000 0.793 358 L CB -0.025 42.032 42.059 -0.004 0.000 0.927 358 L HN 0.107 nan 8.230 nan 0.000 0.446 359 S N -0.954 114.724 115.700 -0.038 0.000 2.446 359 S HA 0.027 4.496 4.470 -0.001 0.000 0.225 359 S C 0.917 175.485 174.600 -0.052 0.000 1.016 359 S CA 0.372 58.556 58.200 -0.028 0.000 0.943 359 S CB 0.382 63.548 63.200 -0.057 0.000 0.786 359 S HN 0.126 nan 8.310 nan 0.000 0.508 360 V N 3.387 123.245 119.914 -0.094 0.000 2.361 360 V HA 0.213 4.333 4.120 -0.001 0.000 0.252 360 V C -1.723 174.267 176.094 -0.173 0.000 0.986 360 V CA -1.420 60.780 62.300 -0.168 0.000 1.033 360 V CB 0.782 32.481 31.823 -0.206 0.000 1.282 360 V HN 0.180 nan 8.190 nan 0.000 0.514 361 P HA -0.208 nan 4.420 nan 0.000 0.216 361 P C 1.147 178.167 177.300 -0.467 0.000 1.150 361 P CA 1.630 64.616 63.100 -0.190 0.000 0.843 361 P CB -0.014 31.682 31.700 -0.008 0.000 0.787 362 H N -0.773 118.055 119.070 -0.402 0.000 2.547 362 H HA 0.472 5.028 4.556 -0.001 0.000 0.274 362 H C 0.272 175.445 175.328 -0.257 0.000 1.024 362 H CA -0.234 55.580 56.048 -0.391 0.000 1.155 362 H CB -0.750 28.912 29.762 -0.166 0.000 1.344 362 H HN 0.001 nan 8.280 nan 0.000 0.598 363 A N 1.812 124.310 122.820 -0.537 0.000 2.301 363 A HA 0.319 4.638 4.320 -0.001 0.000 0.312 363 A C 0.473 177.911 177.584 -0.242 0.000 1.182 363 A CA -0.663 51.129 52.037 -0.408 0.000 0.826 363 A CB 0.730 19.491 19.000 -0.399 0.000 1.134 363 A HN 0.746 nan 8.150 nan 0.000 0.501 364 N N 1.130 119.723 118.700 -0.178 0.000 2.366 364 N HA 0.131 4.870 4.740 -0.001 0.000 0.277 364 N C -0.373 175.084 175.510 -0.088 0.000 1.275 364 N CA -0.464 52.517 53.050 -0.116 0.000 0.964 364 N CB 0.432 38.865 38.487 -0.090 0.000 1.167 364 N HN 0.459 nan 8.380 nan 0.000 0.568 365 D N -0.320 120.047 120.400 -0.055 0.000 2.104 365 D HA -0.158 4.481 4.640 -0.001 0.000 0.194 365 D C 1.726 178.017 176.300 -0.015 0.000 0.994 365 D CA 0.957 54.940 54.000 -0.029 0.000 0.830 365 D CB -0.310 40.480 40.800 -0.015 0.000 0.959 365 D HN 0.432 nan 8.370 nan 0.000 0.452 366 L N 0.505 121.717 121.223 -0.020 0.000 2.042 366 L HA -0.028 4.312 4.340 -0.001 0.000 0.210 366 L C 2.165 179.036 176.870 0.002 0.000 1.076 366 L CA 2.171 57.010 54.840 -0.002 0.000 0.749 366 L CB -1.048 41.002 42.059 -0.015 0.000 0.893 366 L HN 0.112 nan 8.230 nan 0.000 0.432 367 G N -0.548 108.223 108.800 -0.049 0.000 2.421 367 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.216 367 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.216 367 G C 1.614 176.505 174.900 -0.015 0.000 1.171 367 G CA 1.060 46.118 45.100 -0.070 0.000 0.775 367 G HN 0.442 nan 8.290 nan 0.000 0.543 368 L N 0.461 121.666 121.223 -0.030 0.000 2.079 368 L HA -0.091 4.248 4.340 -0.001 0.000 0.210 368 L C 2.505 179.417 176.870 0.070 0.000 1.081 368 L CA 1.238 56.079 54.840 0.002 0.000 0.752 368 L CB -0.409 41.641 42.059 -0.016 0.000 0.896 368 L HN 0.108 nan 8.230 nan 0.000 0.433 369 D N 0.142 120.588 120.400 0.078 0.000 2.144 369 D HA -0.130 4.510 4.640 -0.001 0.000 0.200 369 D C 2.254 178.646 176.300 0.154 0.000 0.978 369 D CA 1.422 55.494 54.000 0.119 0.000 0.833 369 D CB -0.048 40.807 40.800 0.092 0.000 0.961 369 D HN 0.297 nan 8.370 nan 0.000 0.470 370 A N 0.630 123.552 122.820 0.170 0.000 1.883 370 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 370 A C 2.538 180.242 177.584 0.199 0.000 1.186 370 A CA 1.508 53.705 52.037 0.267 0.000 0.624 370 A CB -0.841 18.409 19.000 0.416 0.000 0.822 370 A HN 0.147 nan 8.150 nan 0.000 0.444 371 V N -0.352 119.690 119.914 0.214 0.000 2.261 371 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 371 V C 2.751 178.945 176.094 0.167 0.000 1.047 371 V CA 2.526 64.899 62.300 0.121 0.000 1.015 371 V CB -1.425 30.467 31.823 0.116 0.000 0.642 371 V HN 0.610 nan 8.190 nan 0.000 0.446 372 T N 0.650 115.329 114.554 0.209 0.000 2.665 372 T HA -0.243 4.106 4.350 -0.001 0.000 0.268 372 T C 1.897 176.755 174.700 0.265 0.000 1.035 372 T CA 2.105 64.403 62.100 0.330 0.000 1.151 372 T CB -0.424 68.650 68.868 0.344 0.000 0.862 372 T HN 0.301 nan 8.240 nan 0.000 0.438 373 L N 1.162 122.524 121.223 0.232 0.000 2.046 373 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 373 L C 2.461 179.353 176.870 0.037 0.000 1.077 373 L CA 1.817 56.801 54.840 0.240 0.000 0.747 373 L CB -0.870 41.308 42.059 0.198 0.000 0.896 373 L HN 0.113 nan 8.230 nan 0.000 0.432 374 Q N -1.276 118.454 119.800 -0.117 0.000 2.226 374 Q HA -0.188 4.151 4.340 -0.001 0.000 0.204 374 Q C 0.901 176.669 176.000 -0.386 0.000 0.975 374 Q CA 1.821 57.390 55.803 -0.390 0.000 0.866 374 Q CB -0.169 28.027 28.738 -0.903 0.000 0.915 374 Q HN 0.695 nan 8.270 nan 0.000 0.440 375 Y N -1.313 118.925 120.300 -0.103 0.000 2.612 375 Y HA 0.356 4.905 4.550 -0.001 0.000 0.250 375 Y C -0.328 175.497 175.900 -0.125 0.000 1.175 375 Y CA -0.278 57.812 58.100 -0.017 0.000 1.205 375 Y CB 0.951 39.513 38.460 0.169 0.000 1.201 375 Y HN -0.202 nan 8.280 nan 0.000 0.532 376 T N 0.429 114.860 114.554 -0.205 0.000 2.797 376 T HA 0.137 4.487 4.350 -0.001 0.000 0.279 376 T C -0.984 173.320 174.700 -0.661 0.000 0.991 376 T CA -0.683 61.051 62.100 -0.611 0.000 0.979 376 T CB 1.387 69.605 68.868 -1.083 0.000 0.943 376 T HN -0.034 nan 8.240 nan 0.000 0.444 377 D N 1.755 121.822 120.400 -0.556 0.000 2.411 377 D HA 0.138 4.777 4.640 -0.001 0.000 0.225 377 D C -0.015 176.052 176.300 -0.387 0.000 1.156 377 D CA -0.792 52.999 54.000 -0.349 0.000 0.874 377 D CB 0.388 41.063 40.800 -0.207 0.000 1.034 377 D HN 0.615 nan 8.370 nan 0.000 0.502 378 W N 3.121 124.381 121.300 -0.067 0.000 2.961 378 W HA 0.051 4.711 4.660 -0.001 0.000 0.240 378 W C 1.830 178.319 176.519 -0.049 0.000 1.305 378 W CA -0.161 57.148 57.345 -0.059 0.000 1.465 378 W CB 0.030 29.460 29.460 -0.050 0.000 1.135 378 W HN 0.381 nan 8.180 nan 0.000 0.688 379 M N -0.795 118.862 119.600 0.096 0.000 2.441 379 M HA 0.062 4.542 4.480 -0.001 0.000 0.244 379 M C 0.104 176.416 176.300 0.019 0.000 1.122 379 M CA 1.018 56.354 55.300 0.060 0.000 1.041 379 M CB 0.317 32.935 32.600 0.029 0.000 1.438 379 M HN -0.198 nan 8.290 nan 0.000 0.484 380 D N 0.273 120.659 120.400 -0.024 0.000 3.671 380 D HA -0.025 4.614 4.640 -0.001 0.000 0.291 380 D C 0.259 176.486 176.300 -0.121 0.000 1.373 380 D CA 0.046 54.014 54.000 -0.053 0.000 0.753 380 D CB 0.234 41.002 40.800 -0.053 0.000 1.338 380 D HN 0.198 nan 8.370 nan 0.000 0.690 381 D N -0.740 119.581 120.400 -0.131 0.000 2.378 381 D HA -0.096 4.543 4.640 -0.001 0.000 0.222 381 D C 0.526 176.702 176.300 -0.206 0.000 0.980 381 D CA 0.322 54.161 54.000 -0.269 0.000 0.907 381 D CB -0.066 40.561 40.800 -0.287 0.000 0.899 381 D HN 0.340 nan 8.370 nan 0.000 0.527 382 N N -0.006 118.626 118.700 -0.113 0.000 2.280 382 N HA -0.045 4.694 4.740 -0.001 0.000 0.192 382 N C 0.195 175.647 175.510 -0.096 0.000 1.109 382 N CA -0.340 52.656 53.050 -0.090 0.000 0.855 382 N CB 0.134 38.595 38.487 -0.044 0.000 0.974 382 N HN 0.018 nan 8.380 nan 0.000 0.482 383 N N 1.057 119.693 118.700 -0.108 0.000 2.423 383 N HA -0.038 4.702 4.740 -0.001 0.000 0.275 383 N C 1.110 176.559 175.510 -0.102 0.000 1.283 383 N CA 0.173 53.168 53.050 -0.090 0.000 0.932 383 N CB 0.876 39.312 38.487 -0.085 0.000 1.185 383 N HN 0.245 nan 8.380 nan 0.000 0.483 384 G N 4.020 112.767 108.800 -0.089 0.000 2.448 384 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.219 384 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.219 384 G C 1.553 176.397 174.900 -0.094 0.000 1.127 384 G CA 0.407 45.446 45.100 -0.102 0.000 0.766 384 G HN 0.706 nan 8.290 nan 0.000 0.552 385 I N -0.362 120.171 120.570 -0.062 0.000 2.406 385 I HA -0.019 4.151 4.170 -0.001 0.000 0.249 385 I C 2.700 178.819 176.117 0.003 0.000 1.122 385 I CA 0.754 62.040 61.300 -0.025 0.000 1.431 385 I CB -0.043 37.956 38.000 -0.001 0.000 1.087 385 I HN 0.078 nan 8.210 nan 0.000 0.424 386 K N 0.810 121.193 120.400 -0.027 0.000 2.097 386 K HA -0.098 4.222 4.320 -0.001 0.000 0.205 386 K C 1.744 178.332 176.600 -0.021 0.000 1.050 386 K CA 1.366 57.637 56.287 -0.026 0.000 0.938 386 K CB -0.172 32.278 32.500 -0.085 0.000 0.718 386 K HN 0.401 nan 8.250 nan 0.000 0.442 387 N N 0.420 119.076 118.700 -0.073 0.000 2.106 387 N HA -0.158 4.582 4.740 -0.001 0.000 0.188 387 N C 1.945 177.594 175.510 0.232 0.000 1.029 387 N CA 0.623 53.658 53.050 -0.024 0.000 0.848 387 N CB -0.002 38.435 38.487 -0.083 0.000 1.007 387 N HN 0.121 nan 8.380 nan 0.000 0.423 388 R N 1.379 121.936 120.500 0.094 0.000 2.082 388 R HA -0.152 4.187 4.340 -0.001 0.000 0.234 388 R C 0.993 177.461 176.300 0.280 0.000 1.136 388 R CA 1.901 58.072 56.100 0.119 0.000 0.935 388 R CB -0.153 30.107 30.300 -0.067 0.000 0.842 388 R HN 0.175 nan 8.270 nan 0.000 0.430 389 D N -0.653 119.881 120.400 0.223 0.000 2.218 389 D HA -0.093 4.547 4.640 -0.001 0.000 0.204 389 D C 1.661 178.129 176.300 0.279 0.000 0.976 389 D CA 1.335 55.487 54.000 0.253 0.000 0.853 389 D CB -0.417 40.500 40.800 0.196 0.000 0.939 389 D HN 0.551 nan 8.370 nan 0.000 0.481 390 G N 0.645 109.627 108.800 0.303 0.000 2.402 390 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.216 390 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.216 390 G C 1.749 176.856 174.900 0.345 0.000 1.162 390 G CA 0.078 45.420 45.100 0.403 0.000 0.777 390 G HN 0.249 nan 8.290 nan 0.000 0.539 391 L N 0.248 121.676 121.223 0.342 0.000 2.093 391 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 391 L C 2.598 179.538 176.870 0.117 0.000 1.085 391 L CA 1.169 56.084 54.840 0.125 0.000 0.755 391 L CB -0.277 41.901 42.059 0.199 0.000 0.904 391 L HN 0.179 nan 8.230 nan 0.000 0.435 392 D N 0.210 120.744 120.400 0.223 0.000 2.104 392 D HA -0.226 4.413 4.640 -0.001 0.000 0.194 392 D C 1.698 178.106 176.300 0.181 0.000 0.994 392 D CA 1.397 55.529 54.000 0.221 0.000 0.830 392 D CB 0.048 41.028 40.800 0.301 0.000 0.959 392 D HN 0.252 nan 8.370 nan 0.000 0.452 393 D N -0.079 120.446 120.400 0.207 0.000 2.117 393 D HA -0.094 4.545 4.640 -0.001 0.000 0.198 393 D C 2.376 178.737 176.300 0.101 0.000 0.982 393 D CA 0.392 54.536 54.000 0.240 0.000 0.828 393 D CB -0.156 40.901 40.800 0.429 0.000 0.967 393 D HN 0.361 nan 8.370 nan 0.000 0.464 394 I N 0.624 121.107 120.570 -0.145 0.000 2.127 394 I HA -0.254 3.916 4.170 -0.001 0.000 0.241 394 I C 2.508 178.535 176.117 -0.151 0.000 1.075 394 I CA 0.761 61.898 61.300 -0.272 0.000 1.334 394 I CB -0.265 37.535 38.000 -0.333 0.000 1.040 394 I HN -0.119 nan 8.210 nan 0.000 0.405 395 V N 1.002 120.877 119.914 -0.066 0.000 2.332 395 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 395 V C 2.525 178.589 176.094 -0.050 0.000 1.055 395 V CA 2.255 64.543 62.300 -0.020 0.000 1.038 395 V CB -1.445 30.433 31.823 0.093 0.000 0.651 395 V HN 0.606 nan 8.190 nan 0.000 0.450 396 G N -0.533 108.283 108.800 0.027 0.000 2.402 396 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 396 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 396 G C 1.241 176.112 174.900 -0.049 0.000 1.162 396 G CA 0.893 46.020 45.100 0.045 0.000 0.777 396 G HN 0.497 nan 8.290 nan 0.000 0.539 397 D N -0.129 120.237 120.400 -0.056 0.000 2.097 397 D HA -0.087 4.553 4.640 -0.001 0.000 0.197 397 D C 2.084 178.088 176.300 -0.493 0.000 0.984 397 D CA 1.287 55.216 54.000 -0.118 0.000 0.826 397 D CB -0.466 40.412 40.800 0.130 0.000 0.973 397 D HN 0.411 nan 8.370 nan 0.000 0.460 398 H N 0.942 119.420 119.070 -0.987 0.000 2.353 398 H HA 0.023 4.579 4.556 -0.001 0.000 0.300 398 H C 1.515 176.468 175.328 -0.625 0.000 1.090 398 H CA 1.695 57.011 56.048 -1.220 0.000 1.327 398 H CB 0.061 28.946 29.762 -1.462 0.000 1.383 398 H HN -0.007 nan 8.280 nan 0.000 0.508 399 N N -0.729 117.540 118.700 -0.718 0.000 2.395 399 N HA -0.008 4.731 4.740 -0.001 0.000 0.175 399 N C 1.159 176.426 175.510 -0.406 0.000 1.029 399 N CA 1.058 53.647 53.050 -0.769 0.000 0.897 399 N CB 1.033 38.676 38.487 -1.405 0.000 0.991 399 N HN 0.272 nan 8.380 nan 0.000 0.441 400 V N 0.466 120.224 119.914 -0.260 0.000 3.278 400 V HA 0.150 4.269 4.120 -0.001 0.000 0.215 400 V C 2.098 178.175 176.094 -0.029 0.000 1.287 400 V CA -0.082 62.189 62.300 -0.048 0.000 1.302 400 V CB 0.047 31.918 31.823 0.080 0.000 1.228 400 V HN -0.065 nan 8.190 nan 0.000 0.523 401 I N 0.690 121.258 120.570 -0.002 0.000 2.099 401 I HA -0.322 3.848 4.170 -0.001 0.000 0.239 401 I C 2.602 178.731 176.117 0.021 0.000 1.066 401 I CA 2.097 63.419 61.300 0.037 0.000 1.324 401 I CB -0.503 37.555 38.000 0.096 0.000 1.037 401 I HN 0.399 nan 8.210 nan 0.000 0.401 402 c N 0.599 119.200 118.600 0.002 0.000 2.425 402 c HA -0.059 4.511 4.570 -0.001 0.000 0.277 402 c C 0.278 174.394 174.090 0.042 0.000 1.280 402 c CA 0.758 57.123 56.329 0.060 0.000 1.744 402 c CB -1.861 40.717 42.510 0.114 0.000 1.989 402 c HN 0.378 nan 8.230 nan 0.000 0.491 403 P HA -0.094 nan 4.420 nan 0.000 0.215 403 P C 1.780 179.106 177.300 0.043 0.000 1.157 403 P CA 1.051 64.120 63.100 -0.053 0.000 0.863 403 P CB -0.197 31.382 31.700 -0.203 0.000 0.787 404 L N -1.766 119.464 121.223 0.010 0.000 2.083 404 L HA -0.164 4.176 4.340 -0.001 0.000 0.209 404 L C 2.076 178.996 176.870 0.084 0.000 1.083 404 L CA 1.674 56.540 54.840 0.045 0.000 0.752 404 L CB -0.509 41.551 42.059 0.001 0.000 0.899 404 L HN -0.088 nan 8.230 nan 0.000 0.433 405 M N -1.168 118.471 119.600 0.066 0.000 2.229 405 M HA -0.205 4.275 4.480 -0.001 0.000 0.264 405 M C 2.222 178.583 176.300 0.102 0.000 1.063 405 M CA 1.583 56.918 55.300 0.057 0.000 1.114 405 M CB -1.492 31.158 32.600 0.083 0.000 1.387 405 M HN 0.422 nan 8.290 nan 0.000 0.420 406 H N -0.257 118.852 119.070 0.066 0.000 2.357 406 H HA -0.158 4.398 4.556 -0.001 0.000 0.301 406 H C 1.821 177.197 175.328 0.079 0.000 1.082 406 H CA 1.887 57.980 56.048 0.076 0.000 1.342 406 H CB -0.290 29.514 29.762 0.069 0.000 1.389 406 H HN 0.230 nan 8.280 nan 0.000 0.511 407 F N 0.062 119.978 119.950 -0.057 0.000 2.102 407 F HA -0.160 4.366 4.527 -0.001 0.000 0.298 407 F C 2.498 178.216 175.800 -0.135 0.000 1.105 407 F CA 1.509 59.434 58.000 -0.126 0.000 1.239 407 F CB -0.958 37.972 39.000 -0.116 0.000 0.991 407 F HN 0.137 nan 8.300 nan 0.000 0.474 408 V N 0.733 120.526 119.914 -0.203 0.000 2.343 408 V HA -0.322 3.798 4.120 -0.001 0.000 0.247 408 V C 1.874 177.798 176.094 -0.284 0.000 1.051 408 V CA 2.752 64.825 62.300 -0.378 0.000 1.036 408 V CB -0.726 30.820 31.823 -0.462 0.000 0.654 408 V HN 0.494 nan 8.190 nan 0.000 0.451 409 N N -0.608 118.010 118.700 -0.136 0.000 2.244 409 N HA -0.115 4.625 4.740 -0.001 0.000 0.183 409 N C 1.825 177.306 175.510 -0.049 0.000 1.016 409 N CA 1.047 54.113 53.050 0.027 0.000 0.866 409 N CB -0.092 38.443 38.487 0.080 0.000 0.980 409 N HN 0.325 nan 8.380 nan 0.000 0.430 410 K N 0.012 120.300 120.400 -0.186 0.000 2.076 410 K HA -0.077 4.243 4.320 -0.001 0.000 0.204 410 K C 1.702 178.287 176.600 -0.026 0.000 1.051 410 K CA 0.848 57.061 56.287 -0.122 0.000 0.949 410 K CB -0.524 31.846 32.500 -0.218 0.000 0.726 410 K HN 0.296 nan 8.250 nan 0.000 0.443 411 Y N 2.359 122.412 120.300 -0.412 0.000 2.133 411 Y HA -0.204 4.346 4.550 -0.001 0.000 0.287 411 Y C 2.149 178.028 175.900 -0.035 0.000 1.134 411 Y CA 1.960 59.814 58.100 -0.410 0.000 1.133 411 Y CB -0.515 37.382 38.460 -0.938 0.000 0.987 411 Y HN 0.014 nan 8.280 nan 0.000 0.502 412 T N 0.502 115.083 114.554 0.044 0.000 2.896 412 T HA -0.266 4.084 4.350 -0.001 0.000 0.270 412 T C 1.764 176.461 174.700 -0.005 0.000 1.104 412 T CA 1.753 63.908 62.100 0.093 0.000 1.115 412 T CB -0.276 68.751 68.868 0.265 0.000 0.843 412 T HN 0.282 nan 8.240 nan 0.000 0.523 413 K N -0.332 120.038 120.400 -0.049 0.000 2.097 413 K HA 0.015 4.335 4.320 -0.001 0.000 0.205 413 K C 1.241 177.584 176.600 -0.427 0.000 1.050 413 K CA 1.263 57.407 56.287 -0.238 0.000 0.938 413 K CB -0.019 32.313 32.500 -0.280 0.000 0.718 413 K HN 0.373 nan 8.250 nan 0.000 0.442 414 F N -0.596 119.293 119.950 -0.101 0.000 2.727 414 F HA 0.270 4.797 4.527 -0.001 0.000 0.302 414 F C 1.360 177.037 175.800 -0.206 0.000 1.107 414 F CA -0.301 57.605 58.000 -0.158 0.000 1.277 414 F CB -0.008 38.841 39.000 -0.251 0.000 1.079 414 F HN -0.048 nan 8.300 nan 0.000 0.594 415 G N 0.103 108.789 108.800 -0.190 0.000 2.712 415 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.258 415 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.258 415 G C 0.371 175.282 174.900 0.018 0.000 1.241 415 G CA -0.260 44.711 45.100 -0.215 0.000 0.923 415 G HN 0.352 nan 8.290 nan 0.000 0.548 416 N N -0.496 118.275 118.700 0.119 0.000 2.282 416 N HA 0.320 5.060 4.740 -0.001 0.000 0.240 416 N C 0.257 175.839 175.510 0.120 0.000 1.182 416 N CA 0.380 53.488 53.050 0.098 0.000 0.874 416 N CB 0.274 38.816 38.487 0.092 0.000 1.126 416 N HN 0.905 nan 8.380 nan 0.000 0.516 417 G N 0.699 109.583 108.800 0.139 0.000 2.380 417 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.250 417 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.250 417 G C -1.208 173.747 174.900 0.092 0.000 1.578 417 G CA -0.779 44.376 45.100 0.092 0.000 0.974 417 G HN 0.025 nan 8.290 nan 0.000 0.680 418 T N 1.551 116.041 114.554 -0.107 0.000 2.841 418 T HA 0.695 5.045 4.350 -0.001 0.000 0.283 418 T C -1.268 173.170 174.700 -0.438 0.000 1.000 418 T CA -0.361 61.671 62.100 -0.112 0.000 0.977 418 T CB 1.464 70.345 68.868 0.021 0.000 0.979 418 T HN 0.432 nan 8.240 nan 0.000 0.446 419 Y N 1.959 122.170 120.300 -0.150 0.000 2.327 419 Y HA 0.589 5.139 4.550 -0.001 0.000 0.325 419 Y C -0.598 175.321 175.900 0.032 0.000 0.999 419 Y CA -1.040 56.897 58.100 -0.271 0.000 1.195 419 Y CB 1.368 39.237 38.460 -0.985 0.000 1.132 419 Y HN 0.425 nan 8.280 nan 0.000 0.455 420 L N 5.971 127.518 121.223 0.539 0.000 2.317 420 L HA 0.613 4.953 4.340 -0.001 0.000 0.281 420 L C -1.108 176.231 176.870 0.783 0.000 1.024 420 L CA -0.982 54.148 54.840 0.483 0.000 0.810 420 L CB 0.585 42.787 42.059 0.239 0.000 1.240 420 L HN 0.512 nan 8.230 nan 0.000 0.427 421 Y N 3.170 123.796 120.300 0.544 0.000 2.576 421 Y HA 0.714 5.264 4.550 -0.001 0.000 0.346 421 Y C -1.746 174.424 175.900 0.450 0.000 1.018 421 Y CA -2.058 56.293 58.100 0.418 0.000 1.050 421 Y CB 1.314 39.950 38.460 0.294 0.000 1.280 421 Y HN 0.512 nan 8.280 nan 0.000 0.474 422 F N 4.391 124.674 119.950 0.555 0.000 2.610 422 F HA 0.448 4.974 4.527 -0.001 0.000 0.355 422 F C -1.861 174.246 175.800 0.511 0.000 1.140 422 F CA -1.734 56.519 58.000 0.421 0.000 1.037 422 F CB 0.586 39.816 39.000 0.383 0.000 1.287 422 F HN 0.567 nan 8.300 nan 0.000 0.457 423 F N 7.784 127.803 119.950 0.115 0.000 2.438 423 F HA 0.274 4.801 4.527 -0.001 0.000 0.360 423 F C 0.343 175.990 175.800 -0.254 0.000 1.118 423 F CA -0.184 57.822 58.000 0.011 0.000 1.164 423 F CB 0.485 39.566 39.000 0.135 0.000 1.131 423 F HN 0.543 nan 8.300 nan 0.000 0.527 424 N N 3.419 121.755 118.700 -0.606 0.000 2.451 424 N HA 0.074 4.814 4.740 -0.001 0.000 0.271 424 N C -1.170 174.094 175.510 -0.409 0.000 1.410 424 N CA -0.481 52.309 53.050 -0.434 0.000 0.884 424 N CB -0.646 37.770 38.487 -0.118 0.000 1.332 424 N HN 0.614 nan 8.380 nan 0.000 0.498 425 H N 0.631 119.162 119.070 -0.899 0.000 2.488 425 H HA 0.443 4.998 4.556 -0.001 0.000 0.322 425 H C -0.523 174.617 175.328 -0.313 0.000 1.078 425 H CA -0.617 55.098 56.048 -0.555 0.000 1.260 425 H CB 1.145 30.524 29.762 -0.637 0.000 1.425 425 H HN 0.095 nan 8.280 nan 0.000 0.471 426 R N 4.169 124.260 120.500 -0.681 0.000 2.207 426 R HA 0.500 4.840 4.340 -0.001 0.000 0.334 426 R C -0.605 175.494 176.300 -0.335 0.000 1.013 426 R CA -0.689 55.214 56.100 -0.329 0.000 0.858 426 R CB 0.339 30.527 30.300 -0.187 0.000 1.094 426 R HN 0.831 nan 8.270 nan 0.000 0.457 427 A N 3.119 125.999 122.820 0.100 0.000 2.584 427 A HA -0.051 4.269 4.320 -0.001 0.000 0.239 427 A C 1.378 179.045 177.584 0.139 0.000 1.043 427 A CA 0.722 52.967 52.037 0.347 0.000 0.756 427 A CB 0.224 19.540 19.000 0.527 0.000 0.963 427 A HN 1.014 nan 8.150 nan 0.000 0.511 428 S N 1.743 117.548 115.700 0.175 0.000 2.442 428 S HA -0.172 4.298 4.470 -0.001 0.000 0.236 428 S C 0.931 175.524 174.600 -0.012 0.000 1.007 428 S CA 1.175 59.418 58.200 0.072 0.000 0.965 428 S CB -0.394 62.871 63.200 0.108 0.000 0.773 428 S HN 0.962 nan 8.310 nan 0.000 0.504 429 N N 0.524 119.177 118.700 -0.078 0.000 2.273 429 N HA 0.226 4.965 4.740 -0.001 0.000 0.231 429 N C -0.310 175.135 175.510 -0.110 0.000 1.134 429 N CA -0.528 52.426 53.050 -0.158 0.000 0.856 429 N CB -0.506 37.769 38.487 -0.353 0.000 1.068 429 N HN 0.316 nan 8.380 nan 0.000 0.510 430 L N 1.803 123.012 121.223 -0.024 0.000 2.499 430 L HA 0.019 4.358 4.340 -0.001 0.000 0.273 430 L C 1.341 178.192 176.870 -0.031 0.000 1.195 430 L CA 0.087 54.933 54.840 0.010 0.000 0.882 430 L CB 1.029 43.108 42.059 0.033 0.000 1.133 430 L HN 0.197 nan 8.230 nan 0.000 0.483 431 V N 1.409 121.271 119.914 -0.087 0.000 3.541 431 V HA 0.122 4.242 4.120 -0.001 0.000 0.267 431 V C 0.603 176.677 176.094 -0.033 0.000 1.213 431 V CA -0.394 61.826 62.300 -0.133 0.000 1.149 431 V CB -1.227 30.390 31.823 -0.344 0.000 0.822 431 V HN 0.651 nan 8.190 nan 0.000 0.462 432 W N 1.776 123.083 121.300 0.012 0.000 2.215 432 W HA 0.530 5.189 4.660 -0.001 0.000 0.342 432 W C -1.700 174.726 176.519 -0.155 0.000 1.237 432 W CA -2.102 55.222 57.345 -0.035 0.000 1.283 432 W CB -0.145 29.218 29.460 -0.162 0.000 1.131 432 W HN -0.021 nan 8.180 nan 0.000 0.606 433 P HA -0.073 nan 4.420 nan 0.000 0.269 433 P C 0.327 177.534 177.300 -0.155 0.000 1.217 433 P CA 0.372 63.422 63.100 -0.084 0.000 0.783 433 P CB 0.924 32.560 31.700 -0.106 0.000 0.898 434 E N 1.258 121.442 120.200 -0.027 0.000 2.153 434 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 434 E C 1.874 178.501 176.600 0.044 0.000 0.988 434 E CA 1.280 57.686 56.400 0.010 0.000 0.811 434 E CB -0.396 29.344 29.700 0.066 0.000 0.746 434 E HN 0.723 nan 8.360 nan 0.000 0.466 435 W N 0.206 121.550 121.300 0.074 0.000 2.468 435 W HA -0.065 4.595 4.660 -0.001 0.000 0.262 435 W C 1.408 177.990 176.519 0.105 0.000 1.241 435 W CA 0.366 57.764 57.345 0.088 0.000 1.232 435 W CB -0.730 28.786 29.460 0.093 0.000 1.124 435 W HN -0.029 nan 8.180 nan 0.000 0.597 436 M N 1.264 120.554 119.600 -0.518 0.000 2.492 436 M HA 0.128 4.608 4.480 -0.001 0.000 0.262 436 M C 1.821 178.032 176.300 -0.147 0.000 1.090 436 M CA 1.457 56.436 55.300 -0.534 0.000 1.110 436 M CB -0.595 31.503 32.600 -0.836 0.000 1.407 436 M HN 0.161 nan 8.290 nan 0.000 0.470 437 G N 0.574 109.335 108.800 -0.065 0.000 2.611 437 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.301 437 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.301 437 G C -0.122 174.768 174.900 -0.017 0.000 1.233 437 G CA -0.117 44.981 45.100 -0.003 0.000 0.993 437 G HN 0.222 nan 8.290 nan 0.000 0.553 438 V N 2.030 121.960 119.914 0.028 0.000 2.299 438 V HA 0.386 4.506 4.120 -0.001 0.000 0.255 438 V C 1.103 177.276 176.094 0.132 0.000 1.100 438 V CA -0.077 62.269 62.300 0.077 0.000 0.938 438 V CB -0.080 31.770 31.823 0.046 0.000 1.139 438 V HN 0.526 nan 8.190 nan 0.000 0.490 439 I N 2.799 123.424 120.570 0.093 0.000 2.836 439 I HA 0.075 4.245 4.170 -0.001 0.000 0.285 439 I C 0.978 177.257 176.117 0.271 0.000 1.174 439 I CA -0.318 61.042 61.300 0.101 0.000 1.405 439 I CB 0.125 38.034 38.000 -0.151 0.000 1.385 439 I HN 0.559 nan 8.210 nan 0.000 0.594 440 H N 4.199 123.314 119.070 0.075 0.000 3.125 440 H HA 0.163 4.718 4.556 -0.001 0.000 0.310 440 H C 1.014 176.298 175.328 -0.072 0.000 0.980 440 H CA 0.925 56.979 56.048 0.010 0.000 1.422 440 H CB 0.148 29.863 29.762 -0.078 0.000 1.432 440 H HN 0.749 nan 8.280 nan 0.000 0.577 441 G N 3.765 112.346 108.800 -0.365 0.000 2.176 441 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.253 441 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.253 441 G C 0.449 175.254 174.900 -0.158 0.000 0.979 441 G CA 0.454 45.326 45.100 -0.381 0.000 0.641 441 G HN 0.646 nan 8.290 nan 0.000 0.530 442 Y N 1.123 121.490 120.300 0.112 0.000 2.537 442 Y HA 0.282 4.832 4.550 -0.001 0.000 0.303 442 Y C 2.123 178.156 175.900 0.221 0.000 1.176 442 Y CA 0.728 58.983 58.100 0.259 0.000 1.273 442 Y CB 0.463 39.108 38.460 0.309 0.000 1.110 442 Y HN 0.507 nan 8.280 nan 0.000 0.518 443 E N -0.454 119.716 120.200 -0.051 0.000 2.431 443 E HA -0.001 4.348 4.350 -0.001 0.000 0.200 443 E C 1.538 178.049 176.600 -0.148 0.000 0.995 443 E CA 0.463 56.505 56.400 -0.596 0.000 0.915 443 E CB -0.361 28.639 29.700 -1.166 0.000 0.930 443 E HN 0.516 nan 8.360 nan 0.000 0.496 444 I N 2.770 123.354 120.570 0.022 0.000 2.163 444 I HA -0.302 3.867 4.170 -0.001 0.000 0.243 444 I C 2.636 178.812 176.117 0.099 0.000 1.085 444 I CA 2.132 63.502 61.300 0.117 0.000 1.347 444 I CB -0.433 37.669 38.000 0.170 0.000 1.044 444 I HN 0.211 nan 8.210 nan 0.000 0.408 445 E N 0.933 121.149 120.200 0.027 0.000 2.209 445 E HA -0.237 4.112 4.350 -0.001 0.000 0.196 445 E C 2.012 178.479 176.600 -0.221 0.000 0.993 445 E CA 1.498 57.835 56.400 -0.104 0.000 0.819 445 E CB -0.506 29.126 29.700 -0.113 0.000 0.745 445 E HN 0.431 nan 8.360 nan 0.000 0.477 446 F N 1.105 120.968 119.950 -0.144 0.000 2.293 446 F HA -0.019 4.507 4.527 -0.001 0.000 0.297 446 F C 2.354 177.994 175.800 -0.268 0.000 1.089 446 F CA 0.510 58.386 58.000 -0.207 0.000 1.377 446 F CB -0.171 38.744 39.000 -0.142 0.000 1.051 446 F HN -0.134 nan 8.300 nan 0.000 0.511 447 V N -1.033 118.819 119.914 -0.104 0.000 2.427 447 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 447 V C 1.636 177.578 176.094 -0.254 0.000 1.051 447 V CA 1.565 63.674 62.300 -0.318 0.000 1.048 447 V CB -0.650 31.041 31.823 -0.219 0.000 0.666 447 V HN 0.196 nan 8.190 nan 0.000 0.456 448 F N 0.460 120.286 119.950 -0.206 0.000 2.732 448 F HA 0.420 4.947 4.527 -0.001 0.000 0.303 448 F C 1.806 177.522 175.800 -0.140 0.000 1.110 448 F CA 0.536 58.440 58.000 -0.160 0.000 1.355 448 F CB -0.267 38.621 39.000 -0.186 0.000 1.081 448 F HN 0.255 nan 8.300 nan 0.000 0.565 449 G N 0.154 108.882 108.800 -0.121 0.000 2.160 449 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.251 449 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.251 449 G C 1.171 175.773 174.900 -0.497 0.000 1.008 449 G CA 0.367 45.319 45.100 -0.247 0.000 0.724 449 G HN 0.267 nan 8.290 nan 0.000 0.514 450 L N -0.128 120.789 121.223 -0.510 0.000 2.127 450 L HA -0.055 4.285 4.340 -0.001 0.000 0.211 450 L C 0.132 176.584 176.870 -0.697 0.000 1.089 450 L CA 2.507 56.992 54.840 -0.592 0.000 0.757 450 L CB -1.863 39.967 42.059 -0.382 0.000 0.899 450 L HN 0.193 nan 8.230 nan 0.000 0.434 451 P HA -0.095 nan 4.420 nan 0.000 0.236 451 P C 1.488 178.525 177.300 -0.437 0.000 1.172 451 P CA 0.685 63.169 63.100 -1.026 0.000 0.759 451 P CB 0.092 31.097 31.700 -1.160 0.000 0.843 452 L N -2.113 118.860 121.223 -0.416 0.000 2.558 452 L HA 0.025 4.364 4.340 -0.001 0.000 0.225 452 L C 0.609 177.342 176.870 -0.227 0.000 1.128 452 L CA 0.671 55.350 54.840 -0.268 0.000 0.868 452 L CB -0.232 41.684 42.059 -0.238 0.000 1.006 452 L HN -0.255 nan 8.230 nan 0.000 0.454 453 V N 0.014 119.762 119.914 -0.277 0.000 2.284 453 V HA 0.109 4.229 4.120 -0.001 0.000 0.260 453 V C 1.337 177.389 176.094 -0.070 0.000 1.084 453 V CA -0.555 61.639 62.300 -0.176 0.000 0.894 453 V CB 0.592 32.282 31.823 -0.222 0.000 1.119 453 V HN 0.190 nan 8.190 nan 0.000 0.484 454 K N 2.871 123.243 120.400 -0.046 0.000 2.163 454 K HA -0.250 4.070 4.320 -0.001 0.000 0.210 454 K C 1.722 178.312 176.600 -0.017 0.000 1.048 454 K CA 1.812 58.088 56.287 -0.019 0.000 0.928 454 K CB -0.170 32.318 32.500 -0.020 0.000 0.716 454 K HN 0.686 nan 8.250 nan 0.000 0.459 455 E N 0.074 120.257 120.200 -0.028 0.000 2.333 455 E HA -0.097 4.253 4.350 -0.001 0.000 0.198 455 E C 1.333 177.904 176.600 -0.048 0.000 1.007 455 E CA 0.645 57.024 56.400 -0.036 0.000 0.845 455 E CB -0.141 29.538 29.700 -0.035 0.000 0.766 455 E HN 0.275 nan 8.360 nan 0.000 0.507 456 L N 0.517 121.721 121.223 -0.032 0.000 2.599 456 L HA 0.058 4.398 4.340 -0.001 0.000 0.230 456 L C -0.162 176.608 176.870 -0.167 0.000 1.141 456 L CA -0.115 54.688 54.840 -0.062 0.000 0.877 456 L CB -0.401 41.697 42.059 0.065 0.000 1.009 456 L HN 0.139 nan 8.230 nan 0.000 0.447 457 N N -0.684 117.961 118.700 -0.091 0.000 2.746 457 N HA -0.225 4.514 4.740 -0.001 0.000 0.250 457 N C -0.698 174.714 175.510 -0.164 0.000 1.055 457 N CA 0.856 53.838 53.050 -0.113 0.000 0.699 457 N CB -1.646 36.759 38.487 -0.137 0.000 0.919 457 N HN 0.303 nan 8.380 nan 0.000 0.548 458 Y N 0.153 120.420 120.300 -0.054 0.000 2.458 458 Y HA 0.416 4.966 4.550 -0.001 0.000 0.322 458 Y C 1.724 177.622 175.900 -0.004 0.000 1.259 458 Y CA -0.198 57.885 58.100 -0.029 0.000 1.302 458 Y CB 0.780 39.188 38.460 -0.087 0.000 1.314 458 Y HN 0.131 nan 8.280 nan 0.000 0.509 459 T N -1.983 112.705 114.554 0.222 0.000 2.902 459 T HA 0.514 4.863 4.350 -0.001 0.000 0.280 459 T C 1.096 175.857 174.700 0.102 0.000 0.992 459 T CA -0.260 61.919 62.100 0.131 0.000 1.015 459 T CB 1.376 70.322 68.868 0.130 0.000 1.044 459 T HN 0.760 nan 8.240 nan 0.000 0.520 460 A N 0.962 123.817 122.820 0.059 0.000 1.883 460 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 460 A C 2.145 179.743 177.584 0.024 0.000 1.186 460 A CA 1.962 54.017 52.037 0.030 0.000 0.624 460 A CB -1.218 17.794 19.000 0.019 0.000 0.822 460 A HN 0.932 nan 8.150 nan 0.000 0.444 461 E N 0.145 120.364 120.200 0.032 0.000 2.085 461 E HA -0.182 4.168 4.350 -0.001 0.000 0.194 461 E C 1.892 178.497 176.600 0.008 0.000 0.994 461 E CA 1.609 58.014 56.400 0.008 0.000 0.801 461 E CB -0.295 29.407 29.700 0.003 0.000 0.743 461 E HN 0.781 nan 8.360 nan 0.000 0.453 462 E N 0.236 120.482 120.200 0.077 0.000 2.150 462 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 462 E C 2.015 178.663 176.600 0.081 0.000 0.985 462 E CA 0.845 57.356 56.400 0.186 0.000 0.814 462 E CB 0.006 29.934 29.700 0.380 0.000 0.752 462 E HN 0.334 nan 8.360 nan 0.000 0.466 463 E N 0.593 120.788 120.200 -0.008 0.000 2.106 463 E HA -0.171 4.179 4.350 -0.001 0.000 0.192 463 E C 1.991 178.556 176.600 -0.058 0.000 0.984 463 E CA 0.865 57.213 56.400 -0.087 0.000 0.806 463 E CB -0.003 29.656 29.700 -0.068 0.000 0.750 463 E HN 0.206 nan 8.360 nan 0.000 0.458 464 A N 1.128 123.931 122.820 -0.029 0.000 1.898 464 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 464 A C 2.114 179.678 177.584 -0.033 0.000 1.181 464 A CA 1.174 53.188 52.037 -0.038 0.000 0.620 464 A CB -0.591 18.390 19.000 -0.033 0.000 0.819 464 A HN 0.382 nan 8.150 nan 0.000 0.442 465 L N -0.199 121.025 121.223 0.001 0.000 2.046 465 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 465 L C 2.557 179.467 176.870 0.067 0.000 1.077 465 L CA 2.581 57.432 54.840 0.018 0.000 0.747 465 L CB -0.939 41.115 42.059 -0.008 0.000 0.896 465 L HN 0.339 nan 8.230 nan 0.000 0.432 466 S N -0.673 115.106 115.700 0.132 0.000 2.359 466 S HA -0.228 4.242 4.470 -0.001 0.000 0.224 466 S C 2.215 176.775 174.600 -0.067 0.000 1.035 466 S CA 1.464 59.690 58.200 0.043 0.000 1.018 466 S CB -0.240 62.868 63.200 -0.152 0.000 0.876 466 S HN 0.529 nan 8.310 nan 0.000 0.448 467 R N 0.155 120.608 120.500 -0.078 0.000 2.081 467 R HA -0.010 4.329 4.340 -0.001 0.000 0.235 467 R C 2.724 178.965 176.300 -0.097 0.000 1.131 467 R CA 1.451 57.499 56.100 -0.088 0.000 0.960 467 R CB -0.319 29.925 30.300 -0.093 0.000 0.856 467 R HN 0.396 nan 8.270 nan 0.000 0.436 468 R N 0.812 121.237 120.500 -0.125 0.000 2.096 468 R HA -0.070 4.270 4.340 -0.001 0.000 0.235 468 R C 2.139 178.274 176.300 -0.276 0.000 1.127 468 R CA 1.217 57.172 56.100 -0.243 0.000 0.968 468 R CB -0.109 30.064 30.300 -0.212 0.000 0.861 468 R HN 0.173 nan 8.270 nan 0.000 0.440 469 I N 0.131 120.642 120.570 -0.099 0.000 2.233 469 I HA -0.277 3.892 4.170 -0.001 0.000 0.243 469 I C 2.379 178.426 176.117 -0.117 0.000 1.093 469 I CA 1.209 62.466 61.300 -0.071 0.000 1.380 469 I CB -0.153 37.669 38.000 -0.297 0.000 1.067 469 I HN 0.264 nan 8.210 nan 0.000 0.413 470 M N -0.532 118.978 119.600 -0.152 0.000 2.144 470 M HA -0.292 4.188 4.480 -0.001 0.000 0.260 470 M C 2.427 178.770 176.300 0.071 0.000 1.067 470 M CA 1.769 57.009 55.300 -0.099 0.000 1.095 470 M CB -0.834 31.713 32.600 -0.088 0.000 1.365 470 M HN 0.361 nan 8.290 nan 0.000 0.406 471 H N -0.794 118.256 119.070 -0.033 0.000 2.428 471 H HA -0.138 4.418 4.556 -0.001 0.000 0.296 471 H C 1.788 177.208 175.328 0.154 0.000 1.062 471 H CA 1.424 57.472 56.048 0.001 0.000 1.350 471 H CB 0.257 29.963 29.762 -0.094 0.000 1.403 471 H HN 0.282 nan 8.280 nan 0.000 0.533 472 Y N -0.220 120.230 120.300 0.249 0.000 2.114 472 Y HA -0.251 4.299 4.550 -0.001 0.000 0.284 472 Y C 2.676 178.784 175.900 0.347 0.000 1.143 472 Y CA 0.915 59.217 58.100 0.337 0.000 1.135 472 Y CB -1.032 37.825 38.460 0.662 0.000 0.980 472 Y HN 0.308 nan 8.280 nan 0.000 0.499 473 W N -0.517 120.883 121.300 0.167 0.000 2.335 473 W HA -0.257 4.403 4.660 -0.000 0.000 0.311 473 W C 2.573 179.081 176.519 -0.017 0.000 1.213 473 W CA 1.075 58.441 57.345 0.035 0.000 1.274 473 W CB -0.490 28.927 29.460 -0.073 0.000 1.148 473 W HN 0.066 nan 8.180 nan 0.000 0.498 474 A N -0.113 122.809 122.820 0.171 0.000 1.930 474 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 474 A C 1.799 179.348 177.584 -0.057 0.000 1.175 474 A CA 2.103 54.148 52.037 0.012 0.000 0.627 474 A CB -1.138 17.852 19.000 -0.016 0.000 0.815 474 A HN 0.197 nan 8.150 nan 0.000 0.443 475 T N -0.797 113.684 114.554 -0.121 0.000 2.867 475 T HA -0.082 4.267 4.350 -0.001 0.000 0.268 475 T C 1.573 176.220 174.700 -0.088 0.000 1.057 475 T CA 1.426 63.424 62.100 -0.169 0.000 1.136 475 T CB -0.346 68.368 68.868 -0.257 0.000 0.874 475 T HN 0.508 nan 8.240 nan 0.000 0.466 476 F N 2.402 122.250 119.950 -0.170 0.000 2.113 476 F HA 0.099 4.626 4.527 -0.001 0.000 0.297 476 F C 2.449 178.154 175.800 -0.158 0.000 1.103 476 F CA 0.928 58.792 58.000 -0.226 0.000 1.248 476 F CB -0.731 38.075 39.000 -0.324 0.000 0.999 476 F HN 0.129 nan 8.300 nan 0.000 0.475 477 A N 0.450 123.155 122.820 -0.191 0.000 1.940 477 A HA -0.267 4.053 4.320 -0.001 0.000 0.219 477 A C 2.346 179.781 177.584 -0.250 0.000 1.176 477 A CA 2.071 53.961 52.037 -0.246 0.000 0.631 477 A CB -0.903 18.043 19.000 -0.091 0.000 0.814 477 A HN 0.531 nan 8.150 nan 0.000 0.446 478 K N -0.956 119.333 120.400 -0.185 0.000 2.116 478 K HA -0.094 4.225 4.320 -0.001 0.000 0.203 478 K C 1.757 178.259 176.600 -0.164 0.000 1.052 478 K CA 1.821 58.022 56.287 -0.142 0.000 0.952 478 K CB -0.070 32.371 32.500 -0.099 0.000 0.729 478 K HN 0.602 nan 8.250 nan 0.000 0.446 479 T N -4.955 109.474 114.554 -0.209 0.000 2.959 479 T HA 0.258 4.607 4.350 -0.001 0.000 0.254 479 T C 1.135 175.697 174.700 -0.230 0.000 1.003 479 T CA 0.498 62.490 62.100 -0.179 0.000 0.950 479 T CB 0.879 69.672 68.868 -0.124 0.000 1.090 479 T HN 0.310 nan 8.240 nan 0.000 0.503 480 G N 1.494 110.031 108.800 -0.439 0.000 2.157 480 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.239 480 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.239 480 G C -0.191 174.631 174.900 -0.130 0.000 0.982 480 G CA 0.037 44.843 45.100 -0.491 0.000 0.650 480 G HN 0.839 nan 8.290 nan 0.000 0.527 481 N N -0.236 118.378 118.700 -0.144 0.000 2.397 481 N HA 0.426 5.166 4.740 -0.001 0.000 0.291 481 N C -1.808 173.560 175.510 -0.236 0.000 1.065 481 N CA -1.370 51.553 53.050 -0.212 0.000 0.884 481 N CB 2.569 41.014 38.487 -0.069 0.000 1.551 481 N HN -0.057 nan 8.380 nan 0.000 0.487 482 P HA -0.014 nan 4.420 nan 0.000 0.229 482 P C -0.528 176.831 177.300 0.097 0.000 1.160 482 P CA 0.593 63.596 63.100 -0.160 0.000 0.777 482 P CB 0.459 31.886 31.700 -0.455 0.000 0.814 483 N N 0.832 119.550 118.700 0.030 0.000 2.530 483 N HA 0.122 4.861 4.740 -0.001 0.000 0.277 483 N C 0.162 175.724 175.510 0.087 0.000 1.168 483 N CA -0.359 52.785 53.050 0.157 0.000 0.979 483 N CB 0.450 39.032 38.487 0.159 0.000 1.141 483 N HN -0.074 nan 8.380 nan 0.000 0.459 484 E N 1.898 122.173 120.200 0.123 0.000 2.290 484 E HA 0.059 4.408 4.350 -0.001 0.000 0.277 484 E C -1.470 175.137 176.600 0.012 0.000 1.035 484 E CA -1.573 54.873 56.400 0.077 0.000 0.873 484 E CB 0.741 30.520 29.700 0.132 0.000 1.029 484 E HN 0.436 nan 8.360 nan 0.000 0.419 485 P HA -0.207 nan 4.420 nan 0.000 0.211 485 P C 0.122 177.264 177.300 -0.263 0.000 0.948 485 P CA 1.664 64.600 63.100 -0.274 0.000 1.010 485 P CB 0.071 31.492 31.700 -0.465 0.000 0.737 486 H N -1.525 117.579 119.070 0.057 0.000 2.508 486 H HA 0.435 4.990 4.556 -0.001 0.000 0.224 486 H C 0.229 175.591 175.328 0.058 0.000 1.723 486 H CA -0.235 55.845 56.048 0.053 0.000 1.251 486 H CB -0.218 29.569 29.762 0.041 0.000 1.627 486 H HN 0.028 nan 8.280 nan 0.000 0.543 487 S N 0.500 116.279 115.700 0.132 0.000 2.690 487 S HA 0.142 4.612 4.470 -0.001 0.000 0.291 487 S C 1.144 175.807 174.600 0.104 0.000 1.138 487 S CA -0.459 57.808 58.200 0.112 0.000 1.013 487 S CB 1.954 65.220 63.200 0.111 0.000 1.053 487 S HN 0.430 nan 8.310 nan 0.000 0.539 488 Q N 0.970 120.820 119.800 0.083 0.000 2.282 488 Q HA 0.309 4.649 4.340 -0.001 0.000 0.206 488 Q C -0.100 175.942 176.000 0.071 0.000 0.878 488 Q CA 0.485 56.331 55.803 0.071 0.000 0.944 488 Q CB 0.309 29.079 28.738 0.053 0.000 1.100 488 Q HN 0.723 nan 8.270 nan 0.000 0.509 489 E N -0.419 119.831 120.200 0.083 0.000 2.342 489 E HA 0.260 4.610 4.350 -0.001 0.000 0.257 489 E C -0.445 176.227 176.600 0.119 0.000 1.150 489 E CA -0.323 56.131 56.400 0.090 0.000 0.926 489 E CB 0.758 30.513 29.700 0.092 0.000 1.074 489 E HN 0.004 nan 8.360 nan 0.000 0.449 490 S N 1.467 117.242 115.700 0.124 0.000 2.549 490 S HA 0.034 4.504 4.470 -0.001 0.000 0.286 490 S C -0.078 174.644 174.600 0.204 0.000 1.314 490 S CA -0.113 58.169 58.200 0.137 0.000 1.062 490 S CB 0.277 63.546 63.200 0.115 0.000 0.865 490 S HN 0.215 nan 8.310 nan 0.000 0.498 491 K N 2.293 122.807 120.400 0.189 0.000 2.227 491 K HA 0.130 4.450 4.320 -0.001 0.000 0.280 491 K C -0.463 176.323 176.600 0.309 0.000 1.041 491 K CA -0.437 55.998 56.287 0.246 0.000 0.905 491 K CB 0.686 33.304 32.500 0.196 0.000 1.068 491 K HN 0.694 nan 8.250 nan 0.000 0.470 492 W N 7.609 128.993 121.300 0.140 0.000 2.546 492 W HA 0.129 4.789 4.660 -0.001 0.000 0.323 492 W C -2.208 174.447 176.519 0.225 0.000 1.272 492 W CA -2.439 54.980 57.345 0.124 0.000 1.404 492 W CB -0.202 29.252 29.460 -0.011 0.000 1.411 492 W HN 0.393 nan 8.180 nan 0.000 0.480 493 P HA -0.014 nan 4.420 nan 0.000 0.272 493 P C -0.514 176.988 177.300 0.336 0.000 1.223 493 P CA -0.387 62.931 63.100 0.364 0.000 0.784 493 P CB 1.429 33.262 31.700 0.221 0.000 0.923 494 L N 3.287 124.567 121.223 0.095 0.000 2.416 494 L HA 0.280 4.620 4.340 -0.001 0.000 0.272 494 L C -0.180 176.659 176.870 -0.053 0.000 1.161 494 L CA -0.415 54.275 54.840 -0.251 0.000 0.845 494 L CB -0.522 41.400 42.059 -0.227 0.000 1.119 494 L HN 0.215 nan 8.230 nan 0.000 0.464 495 F N 4.462 124.289 119.950 -0.204 0.000 2.438 495 F HA 0.494 5.021 4.527 -0.001 0.000 0.356 495 F C 0.273 176.037 175.800 -0.059 0.000 1.099 495 F CA -0.060 57.918 58.000 -0.037 0.000 1.185 495 F CB 0.566 39.573 39.000 0.011 0.000 1.115 495 F HN 0.675 nan 8.300 nan 0.000 0.526 496 T N 1.170 115.413 114.554 -0.520 0.000 2.924 496 T HA 0.278 4.628 4.350 -0.001 0.000 0.291 496 T C 0.850 175.250 174.700 -0.500 0.000 1.045 496 T CA -0.449 61.453 62.100 -0.329 0.000 1.015 496 T CB 1.510 70.261 68.868 -0.195 0.000 1.103 496 T HN 0.523 nan 8.240 nan 0.000 0.496 497 T N 0.597 115.030 114.554 -0.201 0.000 2.759 497 T HA -0.086 4.264 4.350 -0.001 0.000 0.269 497 T C 1.734 176.338 174.700 -0.161 0.000 1.042 497 T CA 1.528 63.549 62.100 -0.131 0.000 1.140 497 T CB -0.242 68.589 68.868 -0.061 0.000 0.864 497 T HN 0.690 nan 8.240 nan 0.000 0.455 498 K N 0.558 120.866 120.400 -0.153 0.000 1.975 498 K HA -0.082 4.238 4.320 -0.001 0.000 0.210 498 K C 2.331 178.849 176.600 -0.135 0.000 1.041 498 K CA 1.105 57.323 56.287 -0.115 0.000 0.942 498 K CB 0.080 32.528 32.500 -0.087 0.000 0.729 498 K HN 0.127 nan 8.250 nan 0.000 0.439 499 E N 0.730 120.829 120.200 -0.168 0.000 2.112 499 E HA -0.129 4.221 4.350 -0.001 0.000 0.190 499 E C 0.113 176.590 176.600 -0.206 0.000 0.979 499 E CA 0.551 56.864 56.400 -0.146 0.000 0.814 499 E CB -0.053 29.579 29.700 -0.112 0.000 0.762 499 E HN 0.344 nan 8.360 nan 0.000 0.460 500 Q N 0.646 120.159 119.800 -0.478 0.000 2.451 500 Q HA -0.195 4.144 4.340 -0.001 0.000 0.305 500 Q C -0.684 175.227 176.000 -0.149 0.000 1.345 500 Q CA 0.639 55.993 55.803 -0.749 0.000 0.854 500 Q CB -1.512 27.052 28.738 -0.291 0.000 1.162 500 Q HN 0.216 nan 8.270 nan 0.000 0.440 501 K N 0.516 120.875 120.400 -0.069 0.000 2.154 501 K HA 0.621 4.941 4.320 -0.001 0.000 0.264 501 K C 0.008 176.913 176.600 0.507 0.000 1.008 501 K CA -0.009 56.388 56.287 0.184 0.000 0.937 501 K CB 0.563 33.112 32.500 0.081 0.000 1.002 501 K HN 0.214 nan 8.250 nan 0.000 0.469 502 F N -0.353 119.768 119.950 0.284 0.000 2.745 502 F HA 0.630 5.156 4.527 -0.001 0.000 0.316 502 F C -1.138 174.773 175.800 0.184 0.000 1.155 502 F CA -1.505 56.697 58.000 0.336 0.000 0.937 502 F CB 0.783 39.992 39.000 0.348 0.000 1.361 502 F HN 0.433 nan 8.300 nan 0.000 0.472 503 I N -0.809 119.873 120.570 0.186 0.000 2.892 503 I HA 0.662 4.831 4.170 -0.001 0.000 0.306 503 I C -1.364 174.885 176.117 0.219 0.000 1.078 503 I CA -0.908 60.338 61.300 -0.091 0.000 1.032 503 I CB 2.176 39.924 38.000 -0.420 0.000 1.229 503 I HN 0.432 nan 8.210 nan 0.000 0.435 504 D N 3.718 124.226 120.400 0.180 0.000 2.264 504 D HA 0.513 5.153 4.640 -0.001 0.000 0.249 504 D C -0.680 175.706 176.300 0.144 0.000 1.070 504 D CA 0.117 54.322 54.000 0.340 0.000 0.912 504 D CB 2.311 43.312 40.800 0.335 0.000 1.193 504 D HN 0.451 nan 8.370 nan 0.000 0.427 505 L N 3.042 124.357 121.223 0.154 0.000 2.337 505 L HA 0.290 4.630 4.340 -0.001 0.000 0.269 505 L C -0.371 176.434 176.870 -0.108 0.000 1.018 505 L CA -0.474 54.405 54.840 0.064 0.000 0.876 505 L CB 0.186 42.361 42.059 0.194 0.000 1.236 505 L HN 0.440 nan 8.230 nan 0.000 0.436 506 N N -0.920 117.717 118.700 -0.105 0.000 3.522 506 N HA 0.258 4.998 4.740 -0.001 0.000 0.328 506 N C 0.447 175.845 175.510 -0.186 0.000 1.623 506 N CA -0.227 52.704 53.050 -0.198 0.000 0.812 506 N CB 0.439 38.875 38.487 -0.084 0.000 2.008 506 N HN 0.075 nan 8.380 nan 0.000 0.601 507 T N -4.025 110.391 114.554 -0.231 0.000 3.100 507 T HA 0.227 4.576 4.350 -0.001 0.000 0.253 507 T C 0.017 174.679 174.700 -0.063 0.000 1.118 507 T CA 0.482 62.471 62.100 -0.184 0.000 1.058 507 T CB -0.275 68.441 68.868 -0.253 0.000 0.953 507 T HN 0.402 nan 8.240 nan 0.000 0.515 508 E N 2.635 122.821 120.200 -0.024 0.000 2.351 508 E HA 0.400 4.750 4.350 -0.001 0.000 0.255 508 E C -2.336 174.268 176.600 0.006 0.000 1.188 508 E CA -2.206 54.198 56.400 0.006 0.000 0.940 508 E CB -0.005 29.712 29.700 0.028 0.000 1.094 508 E HN 0.217 nan 8.360 nan 0.000 0.474 509 P HA -0.027 nan 4.420 nan 0.000 0.271 509 P C -0.231 177.074 177.300 0.009 0.000 1.216 509 P CA -0.077 63.031 63.100 0.013 0.000 0.771 509 P CB 0.511 32.219 31.700 0.013 0.000 0.864 510 M N 2.780 122.388 119.600 0.014 0.000 2.219 510 M HA -0.058 4.422 4.480 -0.001 0.000 0.340 510 M C -0.156 176.111 176.300 -0.054 0.000 1.135 510 M CA 1.282 56.577 55.300 -0.009 0.000 0.976 510 M CB -0.001 32.609 32.600 0.017 0.000 1.713 510 M HN 0.298 nan 8.290 nan 0.000 0.457 511 K N 3.615 123.941 120.400 -0.123 0.000 2.482 511 K HA 0.530 4.850 4.320 -0.001 0.000 0.251 511 K C -1.699 174.604 176.600 -0.495 0.000 0.936 511 K CA -0.825 55.304 56.287 -0.263 0.000 0.791 511 K CB 2.523 34.879 32.500 -0.240 0.000 1.213 511 K HN 0.513 nan 8.250 nan 0.000 0.428 512 V N 4.152 123.765 119.914 -0.502 0.000 2.472 512 V HA 0.375 4.495 4.120 -0.001 0.000 0.290 512 V C -0.133 175.506 176.094 -0.759 0.000 1.037 512 V CA -0.521 61.468 62.300 -0.517 0.000 0.908 512 V CB 1.245 32.934 31.823 -0.223 0.000 0.985 512 V HN 0.718 nan 8.190 nan 0.000 0.454 513 H N 2.966 121.692 119.070 -0.573 0.000 2.949 513 H HA 0.686 5.242 4.556 -0.001 0.000 0.310 513 H C -1.061 174.004 175.328 -0.438 0.000 1.405 513 H CA -0.847 54.841 56.048 -0.600 0.000 1.253 513 H CB 2.114 31.302 29.762 -0.957 0.000 1.932 513 H HN 0.590 nan 8.280 nan 0.000 0.602 514 Q N 0.266 120.107 119.800 0.067 0.000 2.456 514 Q HA 0.370 4.710 4.340 -0.001 0.000 0.284 514 Q C -0.630 175.604 176.000 0.390 0.000 1.061 514 Q CA -1.089 54.859 55.803 0.242 0.000 0.799 514 Q CB 2.759 31.556 28.738 0.100 0.000 1.445 514 Q HN 0.399 nan 8.270 nan 0.000 0.411 515 R N 0.763 121.469 120.500 0.343 0.000 3.146 515 R HA -0.181 4.159 4.340 -0.001 0.000 0.250 515 R C -0.710 175.727 176.300 0.229 0.000 0.912 515 R CA -0.007 56.242 56.100 0.248 0.000 0.633 515 R CB -1.957 28.438 30.300 0.157 0.000 1.180 515 R HN 0.607 nan 8.270 nan 0.000 0.464 516 L N 1.624 122.926 121.223 0.131 0.000 2.654 516 L HA 0.038 4.378 4.340 -0.001 0.000 0.271 516 L C 1.168 177.976 176.870 -0.104 0.000 1.169 516 L CA 0.727 55.395 54.840 -0.285 0.000 0.947 516 L CB -0.207 41.312 42.059 -0.900 0.000 1.232 516 L HN 0.490 nan 8.230 nan 0.000 0.486 517 R N 2.375 122.835 120.500 -0.066 0.000 3.516 517 R HA -0.199 4.141 4.340 -0.001 0.000 0.271 517 R C 1.158 177.513 176.300 0.091 0.000 1.098 517 R CA 0.880 56.993 56.100 0.023 0.000 0.732 517 R CB -1.853 28.477 30.300 0.049 0.000 1.152 517 R HN 0.657 nan 8.270 nan 0.000 0.455 518 V N -0.291 119.677 119.914 0.090 0.000 2.287 518 V HA -0.337 3.783 4.120 -0.001 0.000 0.248 518 V C 2.124 178.292 176.094 0.122 0.000 1.053 518 V CA 2.623 64.992 62.300 0.115 0.000 1.027 518 V CB -0.094 31.793 31.823 0.106 0.000 0.646 518 V HN 0.659 nan 8.190 nan 0.000 0.447 519 Q N -0.694 119.161 119.800 0.091 0.000 2.014 519 Q HA -0.222 4.118 4.340 -0.001 0.000 0.207 519 Q C 2.132 178.204 176.000 0.121 0.000 0.993 519 Q CA 2.635 58.482 55.803 0.073 0.000 0.850 519 Q CB -0.427 28.323 28.738 0.019 0.000 0.916 519 Q HN 0.537 nan 8.270 nan 0.000 0.417 520 M N -1.038 118.653 119.600 0.152 0.000 2.175 520 M HA -0.135 4.345 4.480 -0.001 0.000 0.264 520 M C 2.339 178.940 176.300 0.501 0.000 1.063 520 M CA 0.930 56.403 55.300 0.289 0.000 1.119 520 M CB -1.195 31.620 32.600 0.358 0.000 1.377 520 M HN 0.337 nan 8.290 nan 0.000 0.415 521 c N -0.482 118.348 118.600 0.384 0.000 2.448 521 c HA -0.010 4.559 4.570 -0.001 0.000 0.280 521 c C 2.903 177.186 174.090 0.322 0.000 1.398 521 c CA 0.152 56.715 56.329 0.389 0.000 1.774 521 c CB -0.859 41.809 42.510 0.263 0.000 1.888 521 c HN 0.313 nan 8.230 nan 0.000 0.519 522 V N 0.477 120.548 119.914 0.261 0.000 2.427 522 V HA -0.202 3.918 4.120 -0.001 0.000 0.248 522 V C 2.047 178.283 176.094 0.237 0.000 1.051 522 V CA 2.080 64.507 62.300 0.211 0.000 1.048 522 V CB -0.759 31.160 31.823 0.161 0.000 0.666 522 V HN 0.557 nan 8.190 nan 0.000 0.456 523 F N -0.010 120.012 119.950 0.120 0.000 2.075 523 F HA -0.185 4.342 4.527 -0.001 0.000 0.297 523 F C 1.962 177.799 175.800 0.062 0.000 1.113 523 F CA 1.710 59.747 58.000 0.061 0.000 1.218 523 F CB -0.406 38.523 39.000 -0.118 0.000 0.984 523 F HN 0.172 nan 8.300 nan 0.000 0.472 524 W N 0.687 122.052 121.300 0.108 0.000 2.476 524 W HA 0.009 4.669 4.660 -0.001 0.000 0.281 524 W C 2.231 178.725 176.519 -0.042 0.000 1.230 524 W CA 1.271 58.612 57.345 -0.007 0.000 1.287 524 W CB -0.646 28.939 29.460 0.207 0.000 1.108 524 W HN 0.014 nan 8.180 nan 0.000 0.567 525 N N -0.921 117.914 118.700 0.225 0.000 2.368 525 N HA -0.077 4.662 4.740 -0.001 0.000 0.176 525 N C 1.457 176.984 175.510 0.028 0.000 1.021 525 N CA 0.751 53.852 53.050 0.086 0.000 0.888 525 N CB 0.036 38.598 38.487 0.125 0.000 0.995 525 N HN 0.077 nan 8.380 nan 0.000 0.437 526 Q N -0.416 119.421 119.800 0.062 0.000 2.622 526 Q HA 0.206 4.545 4.340 -0.001 0.000 0.208 526 Q C 1.300 177.312 176.000 0.019 0.000 0.911 526 Q CA 0.273 56.108 55.803 0.054 0.000 0.893 526 Q CB -0.349 28.455 28.738 0.109 0.000 1.124 526 Q HN 0.158 nan 8.270 nan 0.000 0.634 527 F N 0.843 120.725 119.950 -0.113 0.000 2.039 527 F HA -0.160 4.366 4.527 -0.001 0.000 0.294 527 F C 1.817 177.453 175.800 -0.274 0.000 1.130 527 F CA 1.106 59.011 58.000 -0.159 0.000 1.189 527 F CB -0.558 38.379 39.000 -0.106 0.000 0.983 527 F HN 0.164 nan 8.300 nan 0.000 0.471 528 L N 1.264 122.070 121.223 -0.695 0.000 2.013 528 L HA -0.122 4.218 4.340 -0.001 0.000 0.212 528 L C -0.831 175.765 176.870 -0.457 0.000 1.073 528 L CA 2.292 56.671 54.840 -0.768 0.000 0.753 528 L CB -2.052 39.457 42.059 -0.917 0.000 0.890 528 L HN 0.032 nan 8.230 nan 0.000 0.432 529 P HA -0.214 nan 4.420 nan 0.000 0.215 529 P C 1.519 178.704 177.300 -0.192 0.000 1.153 529 P CA 1.655 64.661 63.100 -0.157 0.000 0.853 529 P CB -0.067 31.574 31.700 -0.098 0.000 0.788 530 K N -0.379 119.873 120.400 -0.247 0.000 2.097 530 K HA -0.120 4.200 4.320 -0.001 0.000 0.205 530 K C 2.012 178.442 176.600 -0.283 0.000 1.050 530 K CA 0.877 57.031 56.287 -0.222 0.000 0.938 530 K CB -0.655 31.729 32.500 -0.193 0.000 0.718 530 K HN 0.068 nan 8.250 nan 0.000 0.442 531 L N 0.990 121.931 121.223 -0.470 0.000 2.005 531 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 531 L C 2.075 178.796 176.870 -0.249 0.000 1.072 531 L CA 1.254 55.838 54.840 -0.428 0.000 0.744 531 L CB -0.228 41.442 42.059 -0.648 0.000 0.895 531 L HN 0.205 nan 8.230 nan 0.000 0.433 532 L N 0.256 121.340 121.223 -0.232 0.000 2.127 532 L HA -0.262 4.078 4.340 -0.001 0.000 0.211 532 L C 2.493 179.301 176.870 -0.104 0.000 1.089 532 L CA 1.626 56.376 54.840 -0.150 0.000 0.757 532 L CB -0.935 41.049 42.059 -0.125 0.000 0.899 532 L HN 0.529 nan 8.230 nan 0.000 0.434 533 N N 0.544 119.180 118.700 -0.106 0.000 2.300 533 N HA -0.122 4.618 4.740 -0.001 0.000 0.179 533 N C 1.809 177.278 175.510 -0.069 0.000 1.016 533 N CA 1.211 54.217 53.050 -0.074 0.000 0.876 533 N CB 0.237 38.682 38.487 -0.069 0.000 0.979 533 N HN 0.301 nan 8.380 nan 0.000 0.432 534 A N 0.125 122.893 122.820 -0.087 0.000 2.016 534 A HA -0.032 4.288 4.320 -0.001 0.000 0.217 534 A C 1.534 179.084 177.584 -0.056 0.000 1.162 534 A CA 1.505 53.502 52.037 -0.067 0.000 0.662 534 A CB -0.614 18.341 19.000 -0.075 0.000 0.812 534 A HN 0.496 nan 8.150 nan 0.000 0.450 535 T N -2.727 111.785 114.554 -0.068 0.000 3.218 535 T HA 0.689 5.038 4.350 -0.001 0.000 0.241 535 T C -0.087 174.584 174.700 -0.048 0.000 0.929 535 T CA 0.332 62.399 62.100 -0.055 0.000 0.979 535 T CB -0.459 68.372 68.868 -0.062 0.000 1.129 535 T HN 1.230 nan 8.240 nan 0.000 0.559 536 A N 0.000 122.796 122.820 -0.040 0.000 2.254 536 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 536 A CA 0.000 nan 52.037 nan 0.000 0.836 536 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 536 A HN 0.000 nan 8.150 nan 0.000 0.486