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 1qif_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 AT 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 0.000 174.647 174.600 0.079 0.000 1.055 4 S CA 0.000 58.230 58.200 0.051 0.000 1.107 4 S CB 0.000 63.229 63.200 0.048 0.000 0.593 5 E N 2.225 122.473 120.200 0.081 0.000 2.204 5 E HA -0.008 4.342 4.350 -0.001 0.000 0.194 5 E C 1.082 177.797 176.600 0.191 0.000 0.989 5 E CA 1.197 57.670 56.400 0.122 0.000 0.824 5 E CB -0.074 29.684 29.700 0.097 0.000 0.756 5 E HN 0.712 nan 8.360 nan 0.000 0.477 6 L N 0.824 122.125 121.223 0.131 0.000 2.592 6 L HA 0.168 4.508 4.340 -0.001 0.000 0.227 6 L C 0.246 177.285 176.870 0.282 0.000 1.127 6 L CA -0.386 54.523 54.840 0.117 0.000 0.884 6 L CB 0.304 42.338 42.059 -0.041 0.000 1.065 6 L HN 0.118 nan 8.230 nan 0.000 0.457 7 L N 0.819 122.185 121.223 0.237 0.000 2.296 7 L HA 0.551 4.891 4.340 -0.001 0.000 0.286 7 L C -0.653 176.309 176.870 0.153 0.000 1.023 7 L CA -0.248 54.719 54.840 0.211 0.000 0.812 7 L CB 1.593 43.722 42.059 0.117 0.000 1.223 7 L HN -0.307 nan 8.230 nan 0.000 0.421 8 V N 4.468 124.451 119.914 0.115 0.000 2.638 8 V HA 0.446 4.565 4.120 -0.001 0.000 0.306 8 V C -0.636 175.369 176.094 -0.148 0.000 1.052 8 V CA -0.794 61.413 62.300 -0.155 0.000 0.885 8 V CB 1.936 33.382 31.823 -0.630 0.000 0.999 8 V HN 0.753 nan 8.190 nan 0.000 0.424 9 N N 3.197 121.747 118.700 -0.249 0.000 2.462 9 N HA 0.426 5.166 4.740 -0.001 0.000 0.242 9 N C 0.002 175.170 175.510 -0.570 0.000 1.010 9 N CA -0.085 52.787 53.050 -0.297 0.000 0.939 9 N CB 1.270 39.586 38.487 -0.285 0.000 1.127 9 N HN 0.917 nan 8.380 nan 0.000 0.509 10 T N 0.127 114.453 114.554 -0.380 0.000 2.884 10 T HA 0.351 4.700 4.350 -0.001 0.000 0.277 10 T C 1.069 175.517 174.700 -0.420 0.000 0.976 10 T CA -0.451 61.406 62.100 -0.405 0.000 0.956 10 T CB 1.007 69.888 68.868 0.021 0.000 1.113 10 T HN 0.358 nan 8.240 nan 0.000 0.554 11 K N 0.031 120.251 120.400 -0.300 0.000 2.439 11 K HA 0.079 4.398 4.320 -0.001 0.000 0.197 11 K C 1.974 178.433 176.600 -0.235 0.000 1.041 11 K CA 0.532 56.681 56.287 -0.231 0.000 0.970 11 K CB -0.000 32.429 32.500 -0.118 0.000 0.773 11 K HN 0.396 nan 8.250 nan 0.000 0.479 12 S N -0.228 115.316 115.700 -0.260 0.000 2.517 12 S HA 0.187 4.657 4.470 -0.001 0.000 0.214 12 S C 0.485 174.346 174.600 -1.231 0.000 0.991 12 S CA 0.295 58.215 58.200 -0.466 0.000 0.906 12 S CB 0.933 64.066 63.200 -0.111 0.000 0.789 12 S HN 0.545 nan 8.310 nan 0.000 0.513 13 G N 0.980 109.218 108.800 -0.937 0.000 2.369 13 G HA2 0.133 4.093 3.960 -0.001 0.000 0.295 13 G HA3 0.133 4.093 3.960 -0.001 0.000 0.295 13 G C -1.863 172.911 174.900 -0.210 0.000 1.298 13 G CA -1.132 43.388 45.100 -0.967 0.000 0.940 13 G HN 0.097 nan 8.290 nan 0.000 0.536 14 K N -0.639 119.851 120.400 0.150 0.000 2.185 14 K HA 0.647 4.966 4.320 -0.001 0.000 0.271 14 K C -0.454 176.513 176.600 0.612 0.000 1.013 14 K CA -0.558 55.909 56.287 0.299 0.000 0.943 14 K CB 1.948 34.574 32.500 0.209 0.000 0.998 14 K HN 0.358 nan 8.250 nan 0.000 0.468 15 V N 2.919 123.120 119.914 0.478 0.000 2.709 15 V HA 0.333 4.452 4.120 -0.001 0.000 0.308 15 V C -0.917 175.471 176.094 0.490 0.000 1.062 15 V CA -0.952 61.693 62.300 0.575 0.000 0.901 15 V CB 1.764 33.985 31.823 0.663 0.000 1.003 15 V HN 0.731 nan 8.190 nan 0.000 0.425 16 M N 3.869 123.718 119.600 0.415 0.000 2.072 16 M HA 0.740 5.220 4.480 -0.001 0.000 0.331 16 M C 0.231 176.636 176.300 0.174 0.000 1.004 16 M CA 0.150 55.610 55.300 0.266 0.000 0.952 16 M CB 0.911 33.594 32.600 0.138 0.000 1.511 16 M HN 0.783 nan 8.290 nan 0.000 0.422 17 G N 1.635 110.421 108.800 -0.024 0.000 2.543 17 G HA2 0.632 4.592 3.960 -0.001 0.000 0.267 17 G HA3 0.632 4.592 3.960 -0.001 0.000 0.267 17 G C -1.021 173.672 174.900 -0.346 0.000 1.406 17 G CA -0.357 44.428 45.100 -0.524 0.000 1.048 17 G HN 0.653 nan 8.290 nan 0.000 0.548 18 T N -1.760 112.554 114.554 -0.401 0.000 2.900 18 T HA 0.521 4.870 4.350 -0.001 0.000 0.303 18 T C -0.696 173.886 174.700 -0.197 0.000 1.142 18 T CA -0.722 61.240 62.100 -0.229 0.000 1.007 18 T CB 1.531 70.294 68.868 -0.175 0.000 1.156 18 T HN 0.675 nan 8.240 nan 0.000 0.490 19 R N 2.704 123.135 120.500 -0.115 0.000 2.297 19 R HA 0.686 5.026 4.340 -0.001 0.000 0.308 19 R C -0.619 175.685 176.300 0.007 0.000 1.029 19 R CA -0.534 55.535 56.100 -0.052 0.000 0.929 19 R CB 0.617 30.873 30.300 -0.073 0.000 1.046 19 R HN 0.522 nan 8.270 nan 0.000 0.461 20 V N 2.052 122.008 119.914 0.070 0.000 2.735 20 V HA 0.697 4.816 4.120 -0.001 0.000 0.310 20 V C -2.610 173.537 176.094 0.088 0.000 1.061 20 V CA -2.662 59.683 62.300 0.074 0.000 0.913 20 V CB 1.760 33.605 31.823 0.036 0.000 1.005 20 V HN 0.819 nan 8.190 nan 0.000 0.428 21 P HA 0.417 nan 4.420 nan 0.000 0.278 21 P C -0.928 176.195 177.300 -0.295 0.000 1.238 21 P CA -0.158 62.758 63.100 -0.307 0.000 0.794 21 P CB 2.001 33.565 31.700 -0.226 0.000 0.955 22 V N 5.641 125.297 119.914 -0.429 0.000 2.653 22 V HA 0.157 4.276 4.120 -0.001 0.000 0.298 22 V C 0.124 175.957 176.094 -0.435 0.000 1.097 22 V CA -0.810 61.259 62.300 -0.385 0.000 0.908 22 V CB 0.748 32.297 31.823 -0.456 0.000 1.024 22 V HN 0.512 nan 8.190 nan 0.000 0.435 23 L N 6.232 127.358 121.223 -0.162 0.000 3.739 23 L HA -0.229 4.111 4.340 -0.001 0.000 0.442 23 L C 1.067 177.848 176.870 -0.149 0.000 1.241 23 L CA 1.117 55.903 54.840 -0.090 0.000 0.819 23 L CB -1.782 40.302 42.059 0.042 0.000 1.679 23 L HN 1.698 nan 8.230 nan 0.000 0.889 24 S N -3.631 111.957 115.700 -0.187 0.000 3.382 24 S HA -0.240 4.229 4.470 -0.001 0.000 0.293 24 S C 0.242 174.709 174.600 -0.222 0.000 1.262 24 S CA 1.411 59.510 58.200 -0.167 0.000 0.969 24 S CB -1.220 61.942 63.200 -0.063 0.000 1.136 24 S HN 0.998 nan 8.310 nan 0.000 0.635 25 S N -0.514 114.941 115.700 -0.408 0.000 2.971 25 S HA 0.893 5.363 4.470 -0.001 0.000 0.320 25 S C -0.996 173.224 174.600 -0.634 0.000 1.111 25 S CA -0.230 57.755 58.200 -0.358 0.000 0.870 25 S CB 1.247 64.263 63.200 -0.306 0.000 1.331 25 S HN 0.756 nan 8.310 nan 0.000 0.635 26 H N -0.968 118.004 119.070 -0.163 0.000 3.037 26 H HA 0.694 5.250 4.556 -0.001 0.000 0.355 26 H C -1.002 174.319 175.328 -0.012 0.000 1.263 26 H CA -0.368 55.620 56.048 -0.099 0.000 1.129 26 H CB 1.397 31.135 29.762 -0.040 0.000 1.861 26 H HN 0.672 nan 8.280 nan 0.000 0.546 27 I N -2.396 118.267 120.570 0.156 0.000 3.195 27 I HA 0.685 4.855 4.170 -0.001 0.000 0.313 27 I C -0.875 175.334 176.117 0.153 0.000 1.237 27 I CA -0.736 60.675 61.300 0.186 0.000 0.963 27 I CB 2.088 40.225 38.000 0.230 0.000 1.278 27 I HN 0.413 nan 8.210 nan 0.000 0.460 28 S N 1.220 117.020 115.700 0.167 0.000 2.585 28 S HA 0.906 5.375 4.470 -0.001 0.000 0.277 28 S C -0.303 174.311 174.600 0.024 0.000 1.241 28 S CA -0.275 57.954 58.200 0.047 0.000 1.041 28 S CB 1.357 64.624 63.200 0.113 0.000 0.987 28 S HN 1.011 nan 8.310 nan 0.000 0.512 29 A N 1.978 124.643 122.820 -0.259 0.000 2.374 29 A HA 0.780 5.100 4.320 -0.001 0.000 0.305 29 A C -1.453 175.816 177.584 -0.526 0.000 1.053 29 A CA -0.627 51.202 52.037 -0.347 0.000 0.726 29 A CB 0.553 19.361 19.000 -0.319 0.000 1.229 29 A HN 0.641 nan 8.150 nan 0.000 0.431 30 F N 2.712 122.527 119.950 -0.225 0.000 2.430 30 F HA 0.488 5.015 4.527 -0.001 0.000 0.362 30 F C -0.174 175.508 175.800 -0.196 0.000 1.103 30 F CA -0.366 57.587 58.000 -0.079 0.000 1.045 30 F CB 1.382 40.439 39.000 0.094 0.000 1.276 30 F HN 0.368 nan 8.300 nan 0.000 0.444 31 L N 2.167 123.356 121.223 -0.057 0.000 2.322 31 L HA 0.710 5.050 4.340 -0.001 0.000 0.279 31 L C 0.943 177.854 176.870 0.069 0.000 1.036 31 L CA -1.058 53.739 54.840 -0.071 0.000 0.807 31 L CB 1.573 43.510 42.059 -0.203 0.000 1.226 31 L HN 0.826 nan 8.230 nan 0.000 0.433 32 G N 3.041 111.901 108.800 0.099 0.000 2.272 32 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.280 32 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.280 32 G C -0.176 174.820 174.900 0.160 0.000 1.067 32 G CA -0.302 44.859 45.100 0.100 0.000 0.902 32 G HN 0.480 nan 8.290 nan 0.000 0.500 33 I N 2.147 122.734 120.570 0.029 0.000 2.396 33 I HA 0.230 4.399 4.170 -0.001 0.000 0.289 33 I C -1.360 174.554 176.117 -0.338 0.000 1.056 33 I CA -2.170 58.968 61.300 -0.271 0.000 1.365 33 I CB 1.201 39.027 38.000 -0.290 0.000 1.407 33 I HN 0.021 nan 8.210 nan 0.000 0.509 34 P HA 0.043 nan 4.420 nan 0.000 0.276 34 P C -0.328 176.604 177.300 -0.614 0.000 1.230 34 P CA 0.017 62.648 63.100 -0.783 0.000 0.776 34 P CB 0.663 31.810 31.700 -0.922 0.000 0.888 35 F N 0.845 120.451 119.950 -0.573 0.000 2.746 35 F HA 0.743 5.269 4.527 -0.001 0.000 0.320 35 F C -0.087 175.587 175.800 -0.211 0.000 1.097 35 F CA -0.945 56.778 58.000 -0.462 0.000 1.195 35 F CB 0.075 38.795 39.000 -0.468 0.000 1.056 35 F HN 0.378 nan 8.300 nan 0.000 0.562 36 A N -0.059 122.450 122.820 -0.517 0.000 2.609 36 A HA 0.618 4.938 4.320 -0.001 0.000 0.291 36 A C -1.011 176.387 177.584 -0.310 0.000 1.096 36 A CA -0.770 51.087 52.037 -0.299 0.000 0.684 36 A CB 1.061 19.853 19.000 -0.347 0.000 1.282 36 A HN 0.051 nan 8.150 nan 0.000 0.412 37 E N 0.925 121.031 120.200 -0.158 0.000 2.354 37 E HA 0.311 4.660 4.350 -0.001 0.000 0.269 37 E C -2.375 174.126 176.600 -0.165 0.000 1.036 37 E CA -1.518 54.808 56.400 -0.123 0.000 0.876 37 E CB 0.317 29.988 29.700 -0.047 0.000 1.009 37 E HN 0.223 nan 8.360 nan 0.000 0.416 38 P HA 0.003 nan 4.420 nan 0.000 0.258 38 P C -2.178 175.060 177.300 -0.104 0.000 1.187 38 P CA -0.661 62.358 63.100 -0.136 0.000 0.767 38 P CB -0.034 31.624 31.700 -0.070 0.000 0.770 39 P HA -0.017 nan 4.420 nan 0.000 0.232 39 P C -0.276 176.963 177.300 -0.102 0.000 1.738 39 P CA 0.236 63.280 63.100 -0.093 0.000 0.948 39 P CB -0.165 31.482 31.700 -0.088 0.000 1.943 40 V N -2.473 117.389 119.914 -0.087 0.000 2.994 40 V HA 0.881 5.000 4.120 -0.001 0.000 0.318 40 V C 0.971 177.018 176.094 -0.078 0.000 1.085 40 V CA 0.111 62.358 62.300 -0.089 0.000 0.998 40 V CB 0.837 32.617 31.823 -0.071 0.000 1.063 40 V HN 0.551 nan 8.190 nan 0.000 0.447 41 G N 2.649 111.399 108.800 -0.083 0.000 2.596 41 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.304 41 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.304 41 G C 0.594 175.450 174.900 -0.073 0.000 1.189 41 G CA 1.057 46.116 45.100 -0.069 0.000 0.986 41 G HN 1.071 nan 8.290 nan 0.000 0.548 42 N N 0.537 119.211 118.700 -0.043 0.000 2.519 42 N HA 0.099 4.839 4.740 -0.001 0.000 0.186 42 N C 2.263 177.761 175.510 -0.020 0.000 1.062 42 N CA 1.387 54.424 53.050 -0.021 0.000 0.910 42 N CB -0.143 38.344 38.487 0.001 0.000 0.958 42 N HN 0.530 nan 8.380 nan 0.000 0.445 43 M N -0.454 119.121 119.600 -0.042 0.000 2.556 43 M HA 0.036 4.515 4.480 -0.001 0.000 0.245 43 M C 0.570 176.824 176.300 -0.077 0.000 1.128 43 M CA -0.013 55.263 55.300 -0.040 0.000 1.069 43 M CB 0.282 32.857 32.600 -0.041 0.000 1.469 43 M HN -0.006 nan 8.290 nan 0.000 0.494 44 R N 0.681 121.084 120.500 -0.161 0.000 2.538 44 R HA -0.075 4.264 4.340 -0.001 0.000 0.282 44 R C -0.414 175.682 176.300 -0.341 0.000 1.009 44 R CA 0.702 56.579 56.100 -0.372 0.000 1.063 44 R CB 0.167 30.110 30.300 -0.595 0.000 0.945 44 R HN 0.246 nan 8.270 nan 0.000 0.414 45 F N -0.498 119.457 119.950 0.008 0.000 2.502 45 F HA -0.286 4.241 4.527 -0.001 0.000 0.480 45 F C 0.567 176.349 175.800 -0.029 0.000 0.543 45 F CA 0.859 58.840 58.000 -0.032 0.000 1.350 45 F CB -1.408 37.562 39.000 -0.050 0.000 1.999 45 F HN 0.626 nan 8.300 nan 0.000 0.267 46 R N 1.300 121.867 120.500 0.112 0.000 2.637 46 R HA 0.489 4.829 4.340 -0.001 0.000 0.269 46 R C 0.676 177.001 176.300 0.042 0.000 1.089 46 R CA -0.795 55.347 56.100 0.069 0.000 1.177 46 R CB 0.531 30.857 30.300 0.044 0.000 1.091 46 R HN 0.101 nan 8.270 nan 0.000 0.540 47 R N 2.094 122.618 120.500 0.040 0.000 2.679 47 R HA 0.066 4.406 4.340 -0.001 0.000 0.268 47 R C -1.887 174.434 176.300 0.035 0.000 1.044 47 R CA -1.044 55.079 56.100 0.038 0.000 1.105 47 R CB -0.076 30.252 30.300 0.046 0.000 0.989 47 R HN 0.427 nan 8.270 nan 0.000 0.447 48 P HA 0.067 nan 4.420 nan 0.000 0.274 48 P C -0.900 176.428 177.300 0.047 0.000 1.231 48 P CA 0.007 63.132 63.100 0.041 0.000 0.790 48 P CB 0.907 32.655 31.700 0.079 0.000 0.951 49 E N 1.659 121.876 120.200 0.028 0.000 2.212 49 E HA 0.439 4.788 4.350 -0.001 0.000 0.268 49 E C -2.368 174.260 176.600 0.045 0.000 0.902 49 E CA -2.495 53.927 56.400 0.037 0.000 0.779 49 E CB 0.680 30.393 29.700 0.022 0.000 1.172 49 E HN 0.302 nan 8.360 nan 0.000 0.409 50 P HA -0.028 nan 4.420 nan 0.000 0.267 50 P C -0.310 177.036 177.300 0.077 0.000 1.200 50 P CA -0.110 63.053 63.100 0.105 0.000 0.772 50 P CB 0.452 32.219 31.700 0.113 0.000 0.855 51 K N 3.273 123.726 120.400 0.088 0.000 2.368 51 K HA 0.077 4.397 4.320 -0.001 0.000 0.282 51 K C -0.173 176.509 176.600 0.137 0.000 1.035 51 K CA 0.247 56.578 56.287 0.073 0.000 0.973 51 K CB 0.044 32.577 32.500 0.054 0.000 0.957 51 K HN 0.225 nan 8.250 nan 0.000 0.474 52 K N 5.722 126.200 120.400 0.130 0.000 2.401 52 K HA 0.125 4.444 4.320 -0.001 0.000 0.278 52 K C -2.160 174.551 176.600 0.186 0.000 1.018 52 K CA -1.568 54.798 56.287 0.131 0.000 0.981 52 K CB 0.235 32.804 32.500 0.115 0.000 0.933 52 K HN 0.537 nan 8.250 nan 0.000 0.477 53 P HA -0.074 nan 4.420 nan 0.000 0.268 53 P C -1.241 176.118 177.300 0.099 0.000 1.208 53 P CA 0.062 63.129 63.100 -0.055 0.000 0.777 53 P CB 0.273 31.900 31.700 -0.120 0.000 0.875 54 W N 0.628 121.997 121.300 0.116 0.000 2.781 54 W HA 0.731 5.390 4.660 -0.001 0.000 0.345 54 W C -0.914 175.677 176.519 0.120 0.000 1.085 54 W CA -0.716 56.714 57.345 0.142 0.000 1.198 54 W CB 0.259 29.864 29.460 0.241 0.000 1.423 54 W HN 0.109 nan 8.180 nan 0.000 0.532 55 S N 1.222 117.115 115.700 0.321 0.000 2.693 55 S HA 0.786 5.255 4.470 -0.001 0.000 0.276 55 S C 0.492 175.289 174.600 0.328 0.000 1.192 55 S CA 0.538 58.862 58.200 0.208 0.000 0.994 55 S CB 0.857 64.136 63.200 0.132 0.000 1.012 55 S HN 1.520 nan 8.310 nan 0.000 0.550 56 G N -0.191 108.742 108.800 0.223 0.000 2.698 56 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.233 56 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.233 56 G C -0.957 174.137 174.900 0.322 0.000 1.352 56 G CA -0.428 44.802 45.100 0.216 0.000 0.879 56 G HN 0.966 nan 8.290 nan 0.000 0.567 57 V N 0.697 120.756 119.914 0.241 0.000 2.417 57 V HA 0.502 4.622 4.120 -0.001 0.000 0.291 57 V C 0.306 176.527 176.094 0.212 0.000 1.024 57 V CA -0.547 61.921 62.300 0.281 0.000 0.861 57 V CB 1.782 33.706 31.823 0.169 0.000 0.985 57 V HN 0.725 nan 8.190 nan 0.000 0.436 58 W N 5.547 126.932 121.300 0.142 0.000 2.345 58 W HA 0.221 4.881 4.660 -0.001 0.000 0.308 58 W C 0.242 176.751 176.519 -0.017 0.000 1.273 58 W CA -0.424 56.842 57.345 -0.132 0.000 1.243 58 W CB 0.849 30.043 29.460 -0.443 0.000 1.260 58 W HN 0.639 nan 8.180 nan 0.000 0.509 59 N N 4.871 123.323 118.700 -0.414 0.000 2.402 59 N HA 0.154 4.894 4.740 -0.001 0.000 0.259 59 N C -0.414 175.074 175.510 -0.037 0.000 1.167 59 N CA 0.247 53.182 53.050 -0.192 0.000 0.949 59 N CB 0.817 39.134 38.487 -0.283 0.000 1.212 59 N HN 0.389 nan 8.380 nan 0.000 0.493 60 A N 2.812 125.745 122.820 0.187 0.000 3.159 60 A HA 0.182 4.502 4.320 -0.001 0.000 0.301 60 A C 1.086 178.689 177.584 0.032 0.000 1.271 60 A CA -0.423 51.754 52.037 0.233 0.000 0.998 60 A CB -0.460 18.780 19.000 0.400 0.000 1.101 60 A HN 0.629 nan 8.150 nan 0.000 0.610 61 S N -0.924 114.750 115.700 -0.043 0.000 2.524 61 S HA 0.156 4.626 4.470 -0.001 0.000 0.215 61 S C 0.750 175.266 174.600 -0.140 0.000 0.986 61 S CA 0.588 58.721 58.200 -0.113 0.000 0.911 61 S CB -0.259 62.878 63.200 -0.105 0.000 0.805 61 S HN 0.850 nan 8.310 nan 0.000 0.501 62 T N -0.888 113.599 114.554 -0.111 0.000 2.900 62 T HA 0.630 4.979 4.350 -0.001 0.000 0.295 62 T C -0.820 173.852 174.700 -0.047 0.000 1.044 62 T CA -0.756 61.275 62.100 -0.116 0.000 0.995 62 T CB 0.728 69.549 68.868 -0.079 0.000 1.072 62 T HN 0.064 nan 8.240 nan 0.000 0.473 63 Y N 3.097 123.370 120.300 -0.045 0.000 2.683 63 Y HA 0.289 4.839 4.550 -0.001 0.000 0.340 63 Y C -1.302 174.539 175.900 -0.098 0.000 1.245 63 Y CA -1.172 56.903 58.100 -0.042 0.000 1.485 63 Y CB 0.049 38.506 38.460 -0.006 0.000 1.328 63 Y HN 0.565 nan 8.280 nan 0.000 0.603 64 P HA 0.119 nan 4.420 nan 0.000 0.293 64 P C -0.638 176.590 177.300 -0.121 0.000 1.304 64 P CA -0.543 62.439 63.100 -0.197 0.000 0.767 64 P CB 1.000 32.477 31.700 -0.373 0.000 1.247 65 N N 0.023 118.625 118.700 -0.163 0.000 2.354 65 N HA 0.130 4.870 4.740 -0.001 0.000 0.246 65 N C 0.014 175.498 175.510 -0.043 0.000 1.285 65 N CA 0.100 53.101 53.050 -0.082 0.000 0.925 65 N CB -0.027 38.419 38.487 -0.068 0.000 1.174 65 N HN 0.416 nan 8.380 nan 0.000 0.478 66 N N -0.670 117.997 118.700 -0.055 0.000 2.466 66 N HA 0.420 5.160 4.740 -0.001 0.000 0.294 66 N C 0.179 175.655 175.510 -0.057 0.000 1.129 66 N CA -0.769 52.245 53.050 -0.060 0.000 0.931 66 N CB 1.129 39.557 38.487 -0.098 0.000 1.193 66 N HN 0.627 nan 8.380 nan 0.000 0.500 67 C N 1.114 120.384 119.300 -0.049 0.000 2.703 67 C HA 0.092 4.551 4.460 -0.001 0.000 0.411 67 C C 0.933 175.856 174.990 -0.112 0.000 1.290 67 C CA -0.071 58.902 59.018 -0.075 0.000 2.054 67 C CB -0.184 27.539 27.740 -0.028 0.000 2.732 67 C HN 0.514 nan 8.230 nan 0.000 0.650 68 Q N 2.509 122.169 119.800 -0.233 0.000 2.300 68 Q HA 0.369 4.708 4.340 -0.001 0.000 0.280 68 Q C -0.034 175.947 176.000 -0.031 0.000 1.033 68 Q CA 1.095 56.748 55.803 -0.248 0.000 0.903 68 Q CB 0.720 29.063 28.738 -0.659 0.000 1.195 68 Q HN 0.936 nan 8.270 nan 0.000 0.386 69 Q N 1.188 121.042 119.800 0.091 0.000 2.633 69 Q HA 0.305 4.644 4.340 -0.001 0.000 0.289 69 Q C -1.315 174.855 176.000 0.283 0.000 0.940 69 Q CA -1.005 54.941 55.803 0.237 0.000 0.785 69 Q CB 0.701 29.544 28.738 0.174 0.000 1.467 69 Q HN 0.462 nan 8.270 nan 0.000 0.401 70 Y N 0.921 121.401 120.300 0.301 0.000 2.497 70 Y HA 0.397 4.947 4.550 -0.001 0.000 0.334 70 Y C -1.056 175.019 175.900 0.292 0.000 1.199 70 Y CA 0.254 58.556 58.100 0.337 0.000 1.425 70 Y CB 0.982 39.734 38.460 0.487 0.000 1.291 70 Y HN 0.438 nan 8.280 nan 0.000 0.562 71 V N 6.574 126.150 119.914 -0.564 0.000 2.444 71 V HA 0.131 4.251 4.120 -0.001 0.000 0.294 71 V C -0.787 174.994 176.094 -0.522 0.000 1.022 71 V CA -1.091 61.001 62.300 -0.348 0.000 0.850 71 V CB 1.439 33.167 31.823 -0.158 0.000 0.992 71 V HN 0.791 nan 8.190 nan 0.000 0.426 72 D N 3.823 124.137 120.400 -0.144 0.000 2.382 72 D HA 0.095 4.735 4.640 -0.001 0.000 0.259 72 D C 0.577 176.931 176.300 0.090 0.000 1.224 72 D CA 0.493 54.542 54.000 0.082 0.000 0.894 72 D CB 0.877 41.888 40.800 0.352 0.000 1.127 72 D HN 0.673 nan 8.370 nan 0.000 0.487 73 E N 2.412 122.642 120.200 0.050 0.000 2.693 73 E HA -0.032 4.317 4.350 -0.001 0.000 0.214 73 E C 0.791 177.378 176.600 -0.022 0.000 0.990 73 E CA -0.127 56.292 56.400 0.033 0.000 1.047 73 E CB 0.620 30.315 29.700 -0.009 0.000 1.039 73 E HN 0.401 nan 8.360 nan 0.000 0.475 74 Q N -0.030 119.729 119.800 -0.068 0.000 2.226 74 Q HA -0.076 4.263 4.340 -0.001 0.000 0.204 74 Q C -0.280 175.263 176.000 -0.760 0.000 0.975 74 Q CA 1.336 56.852 55.803 -0.478 0.000 0.866 74 Q CB 0.184 28.474 28.738 -0.747 0.000 0.915 74 Q HN 0.114 nan 8.270 nan 0.000 0.440 75 F N 0.300 120.309 119.950 0.099 0.000 2.710 75 F HA 0.414 4.940 4.527 -0.001 0.000 0.345 75 F C -2.262 173.608 175.800 0.118 0.000 1.362 75 F CA -3.007 55.032 58.000 0.064 0.000 1.175 75 F CB 1.103 40.142 39.000 0.064 0.000 1.561 75 F HN -0.138 nan 8.300 nan 0.000 0.593 76 P HA 0.152 nan 4.420 nan 0.000 0.260 76 P C 1.038 178.424 177.300 0.143 0.000 1.172 76 P CA 1.497 64.674 63.100 0.129 0.000 0.760 76 P CB 0.706 32.446 31.700 0.066 0.000 0.773 77 G N 3.247 112.121 108.800 0.123 0.000 2.383 77 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.229 77 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.229 77 G C 0.174 175.148 174.900 0.124 0.000 1.089 77 G CA -0.330 44.827 45.100 0.094 0.000 0.640 77 G HN 0.547 nan 8.290 nan 0.000 0.510 78 F N 3.769 123.714 119.950 -0.009 0.000 2.593 78 F HA 0.374 4.901 4.527 -0.001 0.000 0.393 78 F C 1.868 177.605 175.800 -0.104 0.000 1.037 78 F CA 0.419 58.361 58.000 -0.096 0.000 1.195 78 F CB 0.875 39.806 39.000 -0.114 0.000 1.034 78 F HN 0.393 nan 8.300 nan 0.000 0.552 79 S N 3.424 118.788 115.700 -0.560 0.000 2.402 79 S HA -0.079 4.390 4.470 -0.001 0.000 0.229 79 S C 2.273 176.484 174.600 -0.649 0.000 1.021 79 S CA 0.684 58.582 58.200 -0.503 0.000 0.974 79 S CB -1.111 61.836 63.200 -0.422 0.000 0.800 79 S HN 0.802 nan 8.310 nan 0.000 0.484 80 G N 2.022 109.965 108.800 -1.427 0.000 2.469 80 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.219 80 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.219 80 G C 1.754 176.797 174.900 0.238 0.000 1.150 80 G CA 1.474 45.944 45.100 -1.049 0.000 0.763 80 G HN 0.797 nan 8.290 nan 0.000 0.561 81 S N -0.239 115.649 115.700 0.313 0.000 2.468 81 S HA 0.132 4.601 4.470 -0.001 0.000 0.226 81 S C 1.841 176.726 174.600 0.474 0.000 1.051 81 S CA 0.823 59.532 58.200 0.848 0.000 0.943 81 S CB -0.034 63.798 63.200 1.053 0.000 0.810 81 S HN 0.449 nan 8.310 nan 0.000 0.509 82 E N 1.756 122.073 120.200 0.195 0.000 2.418 82 E HA -0.008 4.341 4.350 -0.001 0.000 0.197 82 E C 1.916 178.469 176.600 -0.079 0.000 1.026 82 E CA 1.013 57.458 56.400 0.074 0.000 0.862 82 E CB -0.403 29.314 29.700 0.027 0.000 0.799 82 E HN 0.837 nan 8.360 nan 0.000 0.518 83 M N -2.021 117.436 119.600 -0.238 0.000 2.557 83 M HA -0.022 4.458 4.480 -0.001 0.000 0.259 83 M C 0.883 176.776 176.300 -0.680 0.000 1.086 83 M CA 1.213 56.203 55.300 -0.518 0.000 1.096 83 M CB -0.217 31.950 32.600 -0.721 0.000 1.424 83 M HN 0.033 nan 8.290 nan 0.000 0.488 84 W N 0.753 122.006 121.300 -0.078 0.000 3.013 84 W HA 0.283 4.943 4.660 -0.001 0.000 0.280 84 W C 0.453 176.899 176.519 -0.122 0.000 1.249 84 W CA -0.877 56.389 57.345 -0.133 0.000 1.577 84 W CB -0.059 29.348 29.460 -0.088 0.000 1.057 84 W HN 0.092 nan 8.180 nan 0.000 0.613 85 N N 1.614 120.366 118.700 0.087 0.000 2.444 85 N HA 0.111 4.851 4.740 -0.001 0.000 0.255 85 N C -2.462 173.018 175.510 -0.050 0.000 1.255 85 N CA -1.298 51.771 53.050 0.033 0.000 0.933 85 N CB -0.287 38.222 38.487 0.037 0.000 1.143 85 N HN -0.339 nan 8.380 nan 0.000 0.453 86 P HA 0.046 nan 4.420 nan 0.000 0.264 86 P C 0.214 177.459 177.300 -0.091 0.000 1.193 86 P CA 0.028 63.072 63.100 -0.093 0.000 0.763 86 P CB 0.280 31.936 31.700 -0.074 0.000 0.810 87 N N 2.461 121.091 118.700 -0.116 0.000 2.214 87 N HA 0.064 4.803 4.740 -0.001 0.000 0.214 87 N C 0.145 175.610 175.510 -0.075 0.000 1.132 87 N CA 0.092 53.084 53.050 -0.098 0.000 0.856 87 N CB 0.312 38.727 38.487 -0.120 0.000 1.020 87 N HN 0.162 nan 8.380 nan 0.000 0.509 88 R N -0.025 120.428 120.500 -0.078 0.000 2.888 88 R HA 0.335 4.675 4.340 -0.001 0.000 0.264 88 R C -0.683 175.583 176.300 -0.057 0.000 1.045 88 R CA -0.774 55.291 56.100 -0.059 0.000 0.962 88 R CB 0.885 31.145 30.300 -0.065 0.000 1.210 88 R HN 0.092 nan 8.270 nan 0.000 0.479 89 E N 1.157 121.327 120.200 -0.050 0.000 2.442 89 E HA 0.025 4.375 4.350 -0.001 0.000 0.262 89 E C -0.183 176.384 176.600 -0.056 0.000 1.004 89 E CA 0.503 56.873 56.400 -0.049 0.000 0.928 89 E CB 0.520 30.192 29.700 -0.047 0.000 0.937 89 E HN 0.230 nan 8.360 nan 0.000 0.446 90 M N 2.088 121.654 119.600 -0.057 0.000 2.274 90 M HA 0.298 4.777 4.480 -0.001 0.000 0.344 90 M C -0.205 176.047 176.300 -0.080 0.000 1.161 90 M CA -0.113 55.145 55.300 -0.070 0.000 1.126 90 M CB 1.511 34.070 32.600 -0.067 0.000 1.522 90 M HN 0.402 nan 8.290 nan 0.000 0.461 91 S N 0.457 116.097 115.700 -0.099 0.000 2.543 91 S HA 0.216 4.686 4.470 -0.001 0.000 0.274 91 S C -0.013 174.498 174.600 -0.147 0.000 1.149 91 S CA -0.683 57.454 58.200 -0.105 0.000 0.866 91 S CB 1.524 64.688 63.200 -0.059 0.000 1.111 91 S HN 0.837 nan 8.310 nan 0.000 0.457 92 E N 0.981 121.068 120.200 -0.188 0.000 2.338 92 E HA -0.072 4.277 4.350 -0.001 0.000 0.197 92 E C -0.315 176.209 176.600 -0.127 0.000 1.007 92 E CA 0.516 56.777 56.400 -0.231 0.000 0.849 92 E CB 0.133 29.684 29.700 -0.249 0.000 0.774 92 E HN 0.527 nan 8.360 nan 0.000 0.506 93 D N -0.511 119.852 120.400 -0.062 0.000 2.483 93 D HA 0.072 4.712 4.640 -0.001 0.000 0.220 93 D C -0.158 176.223 176.300 0.135 0.000 1.173 93 D CA -0.101 53.907 54.000 0.013 0.000 0.964 93 D CB 0.140 40.971 40.800 0.052 0.000 1.046 93 D HN 0.244 nan 8.370 nan 0.000 0.517 94 C N 4.646 123.989 119.300 0.072 0.000 3.722 94 C HA 0.323 4.783 4.460 -0.001 0.000 0.279 94 C C 0.680 175.725 174.990 0.091 0.000 1.819 94 C CA -0.468 58.662 59.018 0.187 0.000 1.744 94 C CB -0.587 27.191 27.740 0.063 0.000 3.247 94 C HN 0.506 nan 8.230 nan 0.000 0.549 95 L N 2.273 123.278 121.223 -0.362 0.000 2.395 95 L HA 0.420 4.760 4.340 -0.001 0.000 0.268 95 L C -0.874 175.221 176.870 -1.292 0.000 1.223 95 L CA 0.265 54.643 54.840 -0.770 0.000 1.093 95 L CB -0.845 40.624 42.059 -0.984 0.000 1.349 95 L HN 0.473 nan 8.230 nan 0.000 0.427 96 Y N 2.008 122.144 120.300 -0.273 0.000 2.605 96 Y HA 0.677 5.227 4.550 -0.001 0.000 0.343 96 Y C -0.126 175.910 175.900 0.227 0.000 1.036 96 Y CA -1.291 56.746 58.100 -0.105 0.000 1.065 96 Y CB 1.885 40.298 38.460 -0.079 0.000 1.288 96 Y HN 0.199 nan 8.280 nan 0.000 0.481 97 L N -0.252 121.147 121.223 0.293 0.000 2.327 97 L HA 0.780 5.119 4.340 -0.001 0.000 0.258 97 L C -1.350 175.575 176.870 0.093 0.000 1.024 97 L CA -1.109 53.848 54.840 0.196 0.000 0.825 97 L CB 1.902 44.001 42.059 0.067 0.000 1.386 97 L HN 0.471 nan 8.230 nan 0.000 0.417 98 N N 1.548 120.301 118.700 0.087 0.000 2.269 98 N HA 0.718 5.457 4.740 -0.001 0.000 0.304 98 N C -1.334 174.088 175.510 -0.147 0.000 1.072 98 N CA -0.219 52.783 53.050 -0.080 0.000 0.802 98 N CB 2.712 41.138 38.487 -0.102 0.000 1.348 98 N HN 0.659 nan 8.380 nan 0.000 0.484 99 I N 0.469 120.871 120.570 -0.281 0.000 2.533 99 I HA 0.390 4.560 4.170 -0.001 0.000 0.290 99 I C -0.775 175.266 176.117 -0.127 0.000 1.056 99 I CA -0.717 60.513 61.300 -0.118 0.000 1.057 99 I CB 2.250 40.126 38.000 -0.208 0.000 1.240 99 I HN 0.237 nan 8.210 nan 0.000 0.423 100 W N 5.923 127.358 121.300 0.225 0.000 2.417 100 W HA 0.573 5.232 4.660 -0.001 0.000 0.315 100 W C -1.010 175.650 176.519 0.235 0.000 1.045 100 W CA -0.628 56.848 57.345 0.219 0.000 1.221 100 W CB 2.102 31.662 29.460 0.166 0.000 1.309 100 W HN 0.088 nan 8.180 nan 0.000 0.453 101 V N 5.183 125.364 119.914 0.446 0.000 2.540 101 V HA 0.302 4.422 4.120 -0.001 0.000 0.302 101 V C -1.989 174.301 176.094 0.326 0.000 1.035 101 V CA -2.393 60.138 62.300 0.385 0.000 0.873 101 V CB 1.897 34.005 31.823 0.475 0.000 0.992 101 V HN 0.251 nan 8.190 nan 0.000 0.428 102 P HA 0.134 nan 4.420 nan 0.000 0.270 102 P C -0.565 176.867 177.300 0.220 0.000 1.227 102 P CA 0.123 63.366 63.100 0.238 0.000 0.788 102 P CB 0.524 32.332 31.700 0.180 0.000 0.926 103 S N 0.794 116.619 115.700 0.208 0.000 2.594 103 S HA 0.534 5.003 4.470 -0.001 0.000 0.296 103 S C -2.555 172.136 174.600 0.151 0.000 1.124 103 S CA -1.485 56.819 58.200 0.173 0.000 1.011 103 S CB 0.161 63.461 63.200 0.167 0.000 1.016 103 S HN 0.265 nan 8.310 nan 0.000 0.485 104 P HA 0.162 nan 4.420 nan 0.000 0.269 104 P C -0.468 176.906 177.300 0.122 0.000 1.209 104 P CA -0.531 62.635 63.100 0.109 0.000 0.776 104 P CB 0.389 32.139 31.700 0.084 0.000 0.876 105 R N 3.042 123.622 120.500 0.133 0.000 2.504 105 R HA 0.068 4.408 4.340 -0.001 0.000 0.291 105 R C -1.922 174.446 176.300 0.113 0.000 0.974 105 R CA -0.829 55.360 56.100 0.148 0.000 1.077 105 R CB -0.440 29.952 30.300 0.155 0.000 0.926 105 R HN 0.366 nan 8.270 nan 0.000 0.407 106 P HA 0.060 nan 4.420 nan 0.000 0.273 106 P C -0.197 177.142 177.300 0.064 0.000 1.250 106 P CA -0.378 62.771 63.100 0.083 0.000 0.793 106 P CB 0.689 32.441 31.700 0.087 0.000 1.011 107 K N -0.449 119.975 120.400 0.041 0.000 2.168 107 K HA 0.132 4.452 4.320 -0.001 0.000 0.201 107 K C 0.621 177.223 176.600 0.003 0.000 1.049 107 K CA 0.994 57.293 56.287 0.021 0.000 0.974 107 K CB -0.240 32.268 32.500 0.013 0.000 0.792 107 K HN 0.348 nan 8.250 nan 0.000 0.463 108 S N 0.998 116.701 115.700 0.005 0.000 2.777 108 S HA 0.127 4.596 4.470 -0.001 0.000 0.140 108 S C -0.939 173.661 174.600 -0.001 0.000 1.233 108 S CA -0.364 57.828 58.200 -0.012 0.000 1.157 108 S CB 0.238 63.420 63.200 -0.030 0.000 1.600 108 S HN 0.156 nan 8.310 nan 0.000 0.432 109 T N 1.658 116.223 114.554 0.017 0.000 2.936 109 T HA 0.561 4.911 4.350 -0.001 0.000 0.282 109 T C 0.218 174.928 174.700 0.017 0.000 1.003 109 T CA -0.007 62.105 62.100 0.021 0.000 1.005 109 T CB 1.090 69.983 68.868 0.042 0.000 1.097 109 T HN 0.421 nan 8.240 nan 0.000 0.532 110 T N 2.387 116.947 114.554 0.009 0.000 2.934 110 T HA 0.306 4.656 4.350 -0.001 0.000 0.306 110 T C -0.255 174.461 174.700 0.027 0.000 1.042 110 T CA -0.198 61.903 62.100 0.001 0.000 1.145 110 T CB 0.174 69.030 68.868 -0.020 0.000 0.982 110 T HN 0.417 nan 8.240 nan 0.000 0.544 111 V N 5.213 125.146 119.914 0.032 0.000 2.513 111 V HA 0.509 4.629 4.120 -0.001 0.000 0.299 111 V C 0.025 176.164 176.094 0.075 0.000 1.035 111 V CA -0.767 61.574 62.300 0.069 0.000 0.889 111 V CB 1.665 33.532 31.823 0.073 0.000 0.988 111 V HN 0.836 nan 8.190 nan 0.000 0.440 112 M N 4.417 124.089 119.600 0.120 0.000 2.197 112 M HA 0.534 5.013 4.480 -0.001 0.000 0.301 112 M C -1.327 175.196 176.300 0.372 0.000 0.987 112 M CA -0.604 54.784 55.300 0.146 0.000 0.921 112 M CB 2.207 34.780 32.600 -0.046 0.000 1.569 112 M HN 0.358 nan 8.290 nan 0.000 0.431 113 V N 3.325 123.495 119.914 0.427 0.000 2.357 113 V HA 0.327 4.446 4.120 -0.001 0.000 0.284 113 V C -0.727 175.668 176.094 0.502 0.000 1.018 113 V CA -0.603 61.938 62.300 0.402 0.000 0.841 113 V CB 1.374 33.306 31.823 0.181 0.000 0.991 113 V HN 0.858 nan 8.190 nan 0.000 0.437 114 W N 7.115 128.536 121.300 0.202 0.000 2.316 114 W HA 0.624 5.284 4.660 -0.001 0.000 0.311 114 W C -1.316 175.095 176.519 -0.180 0.000 1.217 114 W CA -0.753 56.435 57.345 -0.261 0.000 1.199 114 W CB 1.180 30.510 29.460 -0.216 0.000 1.202 114 W HN 0.435 nan 8.180 nan 0.000 0.528 115 I N 9.227 129.179 120.570 -1.031 0.000 2.382 115 I HA 0.065 4.235 4.170 -0.001 0.000 0.285 115 I C -0.225 175.112 176.117 -1.300 0.000 1.007 115 I CA -1.123 59.646 61.300 -0.885 0.000 1.142 115 I CB 0.669 38.328 38.000 -0.568 0.000 1.289 115 I HN 0.299 nan 8.210 nan 0.000 0.453 116 Y N 4.686 124.486 120.300 -0.834 0.000 2.426 116 Y HA 0.632 5.181 4.550 -0.001 0.000 0.344 116 Y C 0.752 176.465 175.900 -0.312 0.000 1.256 116 Y CA -0.838 56.888 58.100 -0.624 0.000 1.451 116 Y CB -0.118 38.210 38.460 -0.221 0.000 1.342 116 Y HN 0.522 nan 8.280 nan 0.000 0.600 117 G N -0.736 108.076 108.800 0.020 0.000 2.606 117 G HA2 0.494 4.454 3.960 -0.001 0.000 0.262 117 G HA3 0.494 4.454 3.960 -0.001 0.000 0.262 117 G C 0.298 175.141 174.900 -0.097 0.000 1.394 117 G CA -0.921 44.120 45.100 -0.098 0.000 1.044 117 G HN 1.728 nan 8.290 nan 0.000 0.553 118 G N -2.898 105.685 108.800 -0.361 0.000 2.207 118 G HA2 0.405 4.365 3.960 -0.001 0.000 0.193 118 G HA3 0.405 4.365 3.960 -0.001 0.000 0.193 118 G C 1.048 175.379 174.900 -0.950 0.000 1.050 118 G CA 0.726 45.474 45.100 -0.586 0.000 0.780 118 G HN 2.310 nan 8.290 nan 0.000 0.504 119 G N -0.466 107.810 108.800 -0.872 0.000 2.203 119 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.263 119 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.263 119 G C 0.919 175.544 174.900 -0.458 0.000 1.012 119 G CA 0.817 45.262 45.100 -1.092 0.000 0.749 119 G HN 1.734 nan 8.290 nan 0.000 0.512 120 F N -3.447 116.380 119.950 -0.204 0.000 2.825 120 F HA -0.310 4.217 4.527 -0.001 0.000 0.358 120 F C 1.456 177.300 175.800 0.074 0.000 0.639 120 F CA 2.169 60.137 58.000 -0.053 0.000 1.153 120 F CB -2.048 36.784 39.000 -0.281 0.000 1.610 120 F HN 0.930 nan 8.300 nan 0.000 0.305 121 Y N -1.116 119.215 120.300 0.053 0.000 2.500 121 Y HA 0.667 5.217 4.550 -0.001 0.000 0.246 121 Y C 0.607 176.582 175.900 0.123 0.000 1.146 121 Y CA 0.216 58.373 58.100 0.095 0.000 1.230 121 Y CB -0.039 38.387 38.460 -0.057 0.000 1.214 121 Y HN 0.088 nan 8.280 nan 0.000 0.526 122 S N -0.849 114.661 115.700 -0.317 0.000 2.727 122 S HA 0.884 5.354 4.470 -0.001 0.000 0.278 122 S C -0.190 174.250 174.600 -0.266 0.000 1.186 122 S CA -0.549 57.518 58.200 -0.222 0.000 0.836 122 S CB 1.414 64.426 63.200 -0.313 0.000 1.186 122 S HN 1.326 nan 8.310 nan 0.000 0.499 123 G N -0.391 108.219 108.800 -0.315 0.000 2.528 123 G HA2 0.422 4.381 3.960 -0.001 0.000 0.681 123 G HA3 0.422 4.381 3.960 -0.001 0.000 0.681 123 G C -1.001 173.286 174.900 -1.022 0.000 1.340 123 G CA -0.327 44.405 45.100 -0.613 0.000 0.855 123 G HN 1.408 nan 8.290 nan 0.000 0.649 124 S N -0.843 114.236 115.700 -1.035 0.000 2.541 124 S HA 0.704 5.174 4.470 -0.001 0.000 0.271 124 S C 0.872 175.308 174.600 -0.273 0.000 1.133 124 S CA 0.069 57.878 58.200 -0.652 0.000 0.876 124 S CB 1.827 64.851 63.200 -0.292 0.000 1.105 124 S HN 1.970 nan 8.310 nan 0.000 0.470 125 S N -0.325 115.411 115.700 0.060 0.000 2.593 125 S HA -0.022 4.448 4.470 -0.001 0.000 0.217 125 S C 1.278 175.984 174.600 0.178 0.000 0.966 125 S CA 0.682 59.104 58.200 0.371 0.000 0.914 125 S CB -0.555 62.905 63.200 0.434 0.000 0.776 125 S HN 0.840 nan 8.310 nan 0.000 0.523 126 T N 0.034 114.503 114.554 -0.142 0.000 3.105 126 T HA 0.416 4.765 4.350 -0.001 0.000 0.253 126 T C 0.473 174.918 174.700 -0.425 0.000 1.047 126 T CA -0.564 61.162 62.100 -0.623 0.000 0.944 126 T CB -0.562 67.761 68.868 -0.908 0.000 1.016 126 T HN 0.314 nan 8.240 nan 0.000 0.544 127 L N 2.010 123.077 121.223 -0.261 0.000 2.483 127 L HA 0.169 4.509 4.340 -0.001 0.000 0.275 127 L C 1.344 177.992 176.870 -0.371 0.000 1.220 127 L CA -0.521 54.079 54.840 -0.400 0.000 0.833 127 L CB 0.354 41.992 42.059 -0.702 0.000 1.102 127 L HN 0.087 nan 8.230 nan 0.000 0.490 128 D N 1.159 121.356 120.400 -0.338 0.000 2.149 128 D HA -0.143 4.497 4.640 -0.001 0.000 0.198 128 D C 1.993 178.097 176.300 -0.326 0.000 0.990 128 D CA 1.429 55.287 54.000 -0.237 0.000 0.839 128 D CB -0.047 40.628 40.800 -0.209 0.000 0.948 128 D HN 0.548 nan 8.370 nan 0.000 0.460 129 V N -1.250 118.322 119.914 -0.569 0.000 2.913 129 V HA -0.165 3.955 4.120 -0.001 0.000 0.260 129 V C 1.278 176.912 176.094 -0.766 0.000 1.098 129 V CA 1.061 62.984 62.300 -0.629 0.000 1.121 129 V CB -1.095 30.246 31.823 -0.804 0.000 0.714 129 V HN 0.050 nan 8.190 nan 0.000 0.487 130 Y N 0.178 120.046 120.300 -0.719 0.000 2.524 130 Y HA 0.433 4.982 4.550 -0.001 0.000 0.266 130 Y C 1.072 176.592 175.900 -0.632 0.000 1.180 130 Y CA -1.753 55.657 58.100 -1.150 0.000 1.244 130 Y CB -0.984 37.104 38.460 -0.619 0.000 1.125 130 Y HN 0.254 nan 8.280 nan 0.000 0.524 131 N N 1.512 120.062 118.700 -0.251 0.000 2.416 131 N HA -0.020 4.720 4.740 -0.001 0.000 0.271 131 N C 1.321 176.518 175.510 -0.523 0.000 1.245 131 N CA 0.533 53.410 53.050 -0.288 0.000 0.940 131 N CB 1.071 39.480 38.487 -0.129 0.000 1.175 131 N HN 0.496 nan 8.380 nan 0.000 0.483 132 G N 3.335 111.314 108.800 -1.368 0.000 2.848 132 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.208 132 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.208 132 G C 1.455 175.785 174.900 -0.950 0.000 1.152 132 G CA 0.388 44.903 45.100 -0.976 0.000 0.789 132 G HN 0.745 nan 8.290 nan 0.000 0.531 133 K N -0.457 119.189 120.400 -1.257 0.000 2.097 133 K HA -0.155 4.165 4.320 -0.001 0.000 0.206 133 K C 1.752 178.138 176.600 -0.357 0.000 1.049 133 K CA 1.120 57.004 56.287 -0.672 0.000 0.933 133 K CB -0.504 31.652 32.500 -0.575 0.000 0.717 133 K HN 0.301 nan 8.250 nan 0.000 0.442 134 Y N 1.199 121.430 120.300 -0.116 0.000 2.163 134 Y HA -0.135 4.414 4.550 -0.001 0.000 0.288 134 Y C 2.358 178.264 175.900 0.011 0.000 1.136 134 Y CA 0.816 58.908 58.100 -0.013 0.000 1.147 134 Y CB -0.685 37.741 38.460 -0.056 0.000 0.987 134 Y HN 0.040 nan 8.280 nan 0.000 0.509 135 L N 0.086 121.357 121.223 0.080 0.000 2.093 135 L HA -0.041 4.299 4.340 -0.001 0.000 0.208 135 L C 2.322 179.212 176.870 0.033 0.000 1.085 135 L CA 1.828 56.666 54.840 -0.002 0.000 0.755 135 L CB -1.113 40.861 42.059 -0.143 0.000 0.904 135 L HN 0.143 nan 8.230 nan 0.000 0.435 136 A N -1.403 121.453 122.820 0.059 0.000 1.873 136 A HA -0.269 4.051 4.320 -0.001 0.000 0.215 136 A C 2.281 179.963 177.584 0.162 0.000 1.186 136 A CA 1.797 53.916 52.037 0.137 0.000 0.616 136 A CB -1.124 18.015 19.000 0.231 0.000 0.823 136 A HN 0.589 nan 8.150 nan 0.000 0.442 137 Y N 1.268 121.594 120.300 0.044 0.000 2.109 137 Y HA -0.163 4.386 4.550 -0.001 0.000 0.285 137 Y C 2.682 178.612 175.900 0.050 0.000 1.131 137 Y CA 2.345 60.475 58.100 0.051 0.000 1.121 137 Y CB -0.872 37.606 38.460 0.030 0.000 0.987 137 Y HN 0.299 nan 8.280 nan 0.000 0.495 138 T N 0.421 114.936 114.554 -0.065 0.000 2.746 138 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 138 T C 1.400 176.033 174.700 -0.113 0.000 1.039 138 T CA 1.743 63.745 62.100 -0.162 0.000 1.142 138 T CB -0.135 68.727 68.868 -0.011 0.000 0.866 138 T HN 0.306 nan 8.240 nan 0.000 0.444 139 E N 0.615 120.796 120.200 -0.032 0.000 2.474 139 E HA 0.084 4.434 4.350 -0.001 0.000 0.195 139 E C 0.042 176.645 176.600 0.005 0.000 1.039 139 E CA 0.058 56.462 56.400 0.007 0.000 0.881 139 E CB 0.079 29.795 29.700 0.026 0.000 0.970 139 E HN 0.619 nan 8.360 nan 0.000 0.486 140 E N -0.003 120.194 120.200 -0.005 0.000 2.246 140 E HA -0.159 4.191 4.350 -0.001 0.000 0.211 140 E C -0.198 176.434 176.600 0.054 0.000 1.278 140 E CA 0.422 56.837 56.400 0.025 0.000 0.694 140 E CB -2.117 27.588 29.700 0.007 0.000 1.166 140 E HN 0.127 nan 8.360 nan 0.000 0.370 141 V N -3.734 116.225 119.914 0.075 0.000 3.074 141 V HA 0.687 4.807 4.120 -0.001 0.000 0.314 141 V C 0.296 176.472 176.094 0.137 0.000 1.117 141 V CA -1.157 61.193 62.300 0.082 0.000 1.014 141 V CB 2.350 34.203 31.823 0.050 0.000 1.057 141 V HN -0.010 nan 8.190 nan 0.000 0.438 142 V N 4.179 124.178 119.914 0.142 0.000 2.389 142 V HA 0.297 4.416 4.120 -0.001 0.000 0.264 142 V C 0.049 176.276 176.094 0.221 0.000 1.049 142 V CA -0.285 62.130 62.300 0.192 0.000 0.932 142 V CB 0.984 32.903 31.823 0.160 0.000 1.011 142 V HN 0.759 nan 8.190 nan 0.000 0.475 143 L N 7.628 129.042 121.223 0.318 0.000 2.275 143 L HA 0.611 4.951 4.340 -0.001 0.000 0.288 143 L C -0.523 176.648 176.870 0.502 0.000 1.046 143 L CA 0.110 55.190 54.840 0.399 0.000 0.805 143 L CB 1.715 44.012 42.059 0.398 0.000 1.193 143 L HN 0.395 nan 8.230 nan 0.000 0.426 144 V N 4.019 124.199 119.914 0.443 0.000 2.604 144 V HA 0.550 4.670 4.120 -0.001 0.000 0.305 144 V C -0.068 176.306 176.094 0.467 0.000 1.043 144 V CA -0.594 61.935 62.300 0.382 0.000 0.888 144 V CB 2.119 34.078 31.823 0.226 0.000 0.995 144 V HN 0.907 nan 8.190 nan 0.000 0.429 145 S N 5.097 121.080 115.700 0.471 0.000 2.561 145 S HA 0.853 5.322 4.470 -0.001 0.000 0.303 145 S C -0.822 173.966 174.600 0.314 0.000 1.110 145 S CA -0.752 57.739 58.200 0.484 0.000 1.034 145 S CB 1.634 65.238 63.200 0.673 0.000 1.010 145 S HN 0.702 nan 8.310 nan 0.000 0.482 146 L N 0.847 122.190 121.223 0.201 0.000 2.421 146 L HA 1.011 5.351 4.340 -0.001 0.000 0.267 146 L C 0.091 177.103 176.870 0.236 0.000 1.036 146 L CA -0.742 54.187 54.840 0.148 0.000 0.829 146 L CB 0.390 42.410 42.059 -0.065 0.000 1.437 146 L HN 0.882 nan 8.230 nan 0.000 0.488 147 S N -1.575 114.329 115.700 0.340 0.000 2.627 147 S HA 0.905 5.375 4.470 -0.001 0.000 0.283 147 S C -1.274 173.579 174.600 0.421 0.000 1.127 147 S CA -0.492 57.926 58.200 0.364 0.000 0.863 147 S CB 1.582 65.022 63.200 0.401 0.000 1.121 147 S HN 1.225 nan 8.310 nan 0.000 0.479 148 Y N -1.787 118.642 120.300 0.215 0.000 2.604 148 Y HA 0.672 5.221 4.550 -0.001 0.000 0.331 148 Y C -0.810 175.227 175.900 0.230 0.000 1.158 148 Y CA -1.395 56.819 58.100 0.190 0.000 1.056 148 Y CB 0.661 39.185 38.460 0.107 0.000 1.330 148 Y HN 0.775 nan 8.280 nan 0.000 0.457 149 R N 1.814 122.470 120.500 0.261 0.000 2.590 149 R HA 0.538 4.877 4.340 -0.001 0.000 0.274 149 R C -0.234 176.282 176.300 0.360 0.000 1.061 149 R CA -0.146 56.072 56.100 0.196 0.000 1.081 149 R CB 0.927 31.305 30.300 0.129 0.000 0.984 149 R HN 0.698 nan 8.270 nan 0.000 0.448 150 V N -0.525 119.615 119.914 0.377 0.000 3.158 150 V HA 0.898 5.018 4.120 -0.001 0.000 0.315 150 V C 0.660 177.103 176.094 0.580 0.000 1.148 150 V CA -0.124 62.521 62.300 0.574 0.000 1.042 150 V CB 1.234 33.267 31.823 0.350 0.000 1.101 150 V HN 0.980 nan 8.190 nan 0.000 0.448 151 G N 0.648 109.807 108.800 0.598 0.000 2.575 151 G HA2 0.038 3.997 3.960 -0.001 0.000 0.267 151 G HA3 0.038 3.997 3.960 -0.001 0.000 0.267 151 G C 1.004 176.083 174.900 0.299 0.000 1.264 151 G CA 0.941 46.320 45.100 0.466 0.000 0.935 151 G HN 2.255 nan 8.290 nan 0.000 0.568 152 A N -1.334 121.349 122.820 -0.228 0.000 1.978 152 A HA 0.223 4.542 4.320 -0.001 0.000 0.220 152 A C 2.216 179.659 177.584 -0.236 0.000 1.170 152 A CA 2.522 54.081 52.037 -0.795 0.000 0.636 152 A CB -0.498 17.782 19.000 -1.199 0.000 0.810 152 A HN 0.952 nan 8.150 nan 0.000 0.448 153 F N -0.071 119.945 119.950 0.110 0.000 2.269 153 F HA 0.001 4.528 4.527 -0.001 0.000 0.301 153 F C 2.376 178.207 175.800 0.051 0.000 1.082 153 F CA 1.165 59.207 58.000 0.070 0.000 1.360 153 F CB -0.503 38.489 39.000 -0.013 0.000 1.041 153 F HN 0.294 nan 8.300 nan 0.000 0.512 154 G N -2.658 106.258 108.800 0.193 0.000 2.944 154 G HA2 0.105 4.064 3.960 -0.001 0.000 0.220 154 G HA3 0.105 4.064 3.960 -0.001 0.000 0.220 154 G C 0.686 175.135 174.900 -0.752 0.000 1.100 154 G CA 0.059 45.037 45.100 -0.203 0.000 0.780 154 G HN 0.328 nan 8.290 nan 0.000 0.539 155 F N -0.417 119.617 119.950 0.141 0.000 2.899 155 F HA 0.420 4.946 4.527 -0.001 0.000 0.337 155 F C 0.307 176.153 175.800 0.076 0.000 1.129 155 F CA -0.928 57.133 58.000 0.102 0.000 1.128 155 F CB 0.512 39.593 39.000 0.134 0.000 1.154 155 F HN -0.084 nan 8.300 nan 0.000 0.531 156 L N 2.364 123.590 121.223 0.005 0.000 2.559 156 L HA 0.450 4.790 4.340 -0.001 0.000 0.274 156 L C 0.134 176.967 176.870 -0.062 0.000 1.205 156 L CA 0.239 54.968 54.840 -0.185 0.000 0.907 156 L CB 0.243 41.904 42.059 -0.663 0.000 1.153 156 L HN 0.159 nan 8.230 nan 0.000 0.490 157 A N 6.941 129.776 122.820 0.024 0.000 2.375 157 A HA 0.622 4.942 4.320 -0.001 0.000 0.291 157 A C -0.808 176.791 177.584 0.024 0.000 1.160 157 A CA -0.484 51.574 52.037 0.035 0.000 0.747 157 A CB 0.601 19.653 19.000 0.087 0.000 1.170 157 A HN 0.708 nan 8.150 nan 0.000 0.458 158 L N 3.613 124.839 121.223 0.006 0.000 2.599 158 L HA 0.239 4.578 4.340 -0.001 0.000 0.241 158 L C 0.152 177.056 176.870 0.057 0.000 1.207 158 L CA -0.791 54.057 54.840 0.013 0.000 0.987 158 L CB 0.187 42.222 42.059 -0.040 0.000 1.318 158 L HN 0.905 nan 8.230 nan 0.000 0.458 159 H N 1.513 120.582 119.070 -0.002 0.000 3.134 159 H HA 0.157 4.713 4.556 -0.001 0.000 0.326 159 H C 1.245 176.577 175.328 0.006 0.000 1.017 159 H CA 1.760 57.813 56.048 0.009 0.000 1.359 159 H CB 0.809 30.581 29.762 0.015 0.000 1.300 159 H HN 0.669 nan 8.280 nan 0.000 0.596 160 G N 2.497 110.988 108.800 -0.515 0.000 2.279 160 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.223 160 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.223 160 G C 0.291 175.095 174.900 -0.161 0.000 1.015 160 G CA 0.402 45.303 45.100 -0.330 0.000 0.621 160 G HN 1.156 nan 8.290 nan 0.000 0.506 161 S N -0.048 115.592 115.700 -0.101 0.000 2.593 161 S HA 0.695 5.165 4.470 -0.001 0.000 0.297 161 S C 0.742 175.322 174.600 -0.033 0.000 1.112 161 S CA -0.099 58.071 58.200 -0.050 0.000 1.043 161 S CB 2.100 65.284 63.200 -0.026 0.000 1.054 161 S HN 0.100 nan 8.310 nan 0.000 0.516 162 Q N 0.773 120.565 119.800 -0.014 0.000 2.360 162 Q HA 0.192 4.532 4.340 -0.001 0.000 0.202 162 Q C 0.907 176.922 176.000 0.026 0.000 0.915 162 Q CA 0.371 56.177 55.803 0.004 0.000 0.943 162 Q CB 0.006 28.747 28.738 0.005 0.000 1.064 162 Q HN 0.724 nan 8.270 nan 0.000 0.511 163 E N 0.496 120.715 120.200 0.031 0.000 2.216 163 E HA 0.074 4.423 4.350 -0.001 0.000 0.192 163 E C 0.126 176.780 176.600 0.090 0.000 0.988 163 E CA 0.507 56.944 56.400 0.061 0.000 0.834 163 E CB 0.488 30.226 29.700 0.064 0.000 0.772 163 E HN 0.152 nan 8.360 nan 0.000 0.479 164 A N 1.259 124.105 122.820 0.044 0.000 3.307 164 A HA 0.272 4.592 4.320 -0.001 0.000 0.289 164 A C -2.088 175.499 177.584 0.005 0.000 1.138 164 A CA -0.805 51.245 52.037 0.022 0.000 0.860 164 A CB 0.657 19.580 19.000 -0.129 0.000 1.318 164 A HN -0.116 nan 8.150 nan 0.000 0.551 165 P HA 0.136 nan 4.420 nan 0.000 0.221 165 P C 0.919 178.265 177.300 0.076 0.000 1.150 165 P CA 1.889 65.022 63.100 0.055 0.000 0.800 165 P CB 0.246 31.979 31.700 0.055 0.000 0.787 166 G N 0.296 109.121 108.800 0.040 0.000 2.612 166 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.686 166 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.686 166 G C -0.156 174.737 174.900 -0.012 0.000 1.274 166 G CA -0.272 44.851 45.100 0.037 0.000 0.849 166 G HN 0.111 nan 8.290 nan 0.000 0.595 167 N N -2.395 116.278 118.700 -0.045 0.000 2.778 167 N HA -0.290 4.450 4.740 -0.001 0.000 0.249 167 N C 1.966 177.308 175.510 -0.280 0.000 1.069 167 N CA 2.548 55.493 53.050 -0.175 0.000 0.831 167 N CB -1.643 36.707 38.487 -0.228 0.000 1.142 167 N HN 1.916 nan 8.380 nan 0.000 0.573 168 V N -2.758 116.999 119.914 -0.261 0.000 2.720 168 V HA -0.011 4.109 4.120 -0.001 0.000 0.256 168 V C 2.297 178.254 176.094 -0.229 0.000 1.082 168 V CA 2.284 64.482 62.300 -0.170 0.000 1.101 168 V CB -0.919 30.856 31.823 -0.080 0.000 0.693 168 V HN 0.286 nan 8.190 nan 0.000 0.479 169 G N 0.469 108.919 108.800 -0.583 0.000 2.408 169 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.217 169 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.217 169 G C 1.533 176.388 174.900 -0.075 0.000 1.150 169 G CA 1.090 45.968 45.100 -0.369 0.000 0.776 169 G HN 0.538 nan 8.290 nan 0.000 0.542 170 L N -0.105 121.023 121.223 -0.159 0.000 2.156 170 L HA 0.102 4.441 4.340 -0.001 0.000 0.208 170 L C 2.786 179.715 176.870 0.099 0.000 1.095 170 L CA 0.303 55.071 54.840 -0.120 0.000 0.770 170 L CB -0.281 41.417 42.059 -0.602 0.000 0.914 170 L HN 0.173 nan 8.230 nan 0.000 0.439 171 L N -0.570 120.699 121.223 0.077 0.000 2.141 171 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 171 L C 2.146 179.109 176.870 0.155 0.000 1.094 171 L CA 0.807 55.751 54.840 0.174 0.000 0.763 171 L CB -0.581 41.553 42.059 0.125 0.000 0.908 171 L HN 0.278 nan 8.230 nan 0.000 0.437 172 D N 0.018 120.506 120.400 0.147 0.000 2.097 172 D HA -0.197 4.442 4.640 -0.001 0.000 0.195 172 D C 2.274 178.674 176.300 0.167 0.000 0.989 172 D CA 1.186 55.340 54.000 0.256 0.000 0.827 172 D CB -0.156 40.833 40.800 0.315 0.000 0.966 172 D HN 0.385 nan 8.370 nan 0.000 0.456 173 Q N 0.197 120.052 119.800 0.091 0.000 2.061 173 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 173 Q C 2.305 178.238 176.000 -0.111 0.000 0.984 173 Q CA 1.166 56.939 55.803 -0.050 0.000 0.846 173 Q CB -0.108 28.614 28.738 -0.027 0.000 0.902 173 Q HN 0.192 nan 8.270 nan 0.000 0.421 174 R N 0.593 121.124 120.500 0.052 0.000 2.105 174 R HA -0.179 4.161 4.340 -0.001 0.000 0.239 174 R C 2.208 178.498 176.300 -0.017 0.000 1.135 174 R CA 1.640 57.752 56.100 0.020 0.000 0.967 174 R CB -0.185 30.218 30.300 0.172 0.000 0.861 174 R HN 0.289 nan 8.270 nan 0.000 0.442 175 M N -0.009 119.602 119.600 0.019 0.000 2.175 175 M HA -0.084 4.395 4.480 -0.001 0.000 0.264 175 M C 2.077 178.314 176.300 -0.104 0.000 1.063 175 M CA 1.955 57.287 55.300 0.052 0.000 1.119 175 M CB -0.011 32.716 32.600 0.211 0.000 1.377 175 M HN 0.285 nan 8.290 nan 0.000 0.415 176 A N 0.347 122.858 122.820 -0.515 0.000 1.930 176 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 176 A C 2.016 179.463 177.584 -0.229 0.000 1.175 176 A CA 1.382 52.928 52.037 -0.818 0.000 0.627 176 A CB -0.983 17.298 19.000 -1.199 0.000 0.815 176 A HN 0.584 nan 8.150 nan 0.000 0.443 177 L N -1.047 120.075 121.223 -0.168 0.000 2.093 177 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 177 L C 2.819 179.723 176.870 0.057 0.000 1.085 177 L CA 1.613 56.422 54.840 -0.050 0.000 0.755 177 L CB -0.445 41.549 42.059 -0.108 0.000 0.904 177 L HN 0.472 nan 8.230 nan 0.000 0.435 178 Q N -0.352 119.480 119.800 0.052 0.000 2.124 178 Q HA -0.247 4.092 4.340 -0.001 0.000 0.202 178 Q C 1.978 178.085 176.000 0.178 0.000 0.977 178 Q CA 1.827 57.686 55.803 0.094 0.000 0.850 178 Q CB -0.409 28.375 28.738 0.076 0.000 0.901 178 Q HN 0.468 nan 8.270 nan 0.000 0.429 179 W N -0.751 120.558 121.300 0.015 0.000 2.381 179 W HA -0.145 4.515 4.660 -0.001 0.000 0.301 179 W C 1.879 178.437 176.519 0.064 0.000 1.205 179 W CA 1.661 59.039 57.345 0.056 0.000 1.285 179 W CB -0.250 29.241 29.460 0.052 0.000 1.133 179 W HN -0.004 nan 8.180 nan 0.000 0.521 180 V N -0.012 120.091 119.914 0.315 0.000 2.287 180 V HA -0.396 3.723 4.120 -0.001 0.000 0.248 180 V C 2.548 178.670 176.094 0.047 0.000 1.053 180 V CA 2.387 64.796 62.300 0.181 0.000 1.027 180 V CB -1.331 30.586 31.823 0.158 0.000 0.646 180 V HN 0.343 nan 8.190 nan 0.000 0.447 181 H N 0.239 119.305 119.070 -0.007 0.000 2.352 181 H HA -0.167 4.389 4.556 -0.001 0.000 0.299 181 H C 1.889 177.153 175.328 -0.107 0.000 1.097 181 H CA 1.997 58.019 56.048 -0.043 0.000 1.311 181 H CB 0.035 29.785 29.762 -0.019 0.000 1.377 181 H HN 0.455 nan 8.280 nan 0.000 0.504 182 D N -0.423 119.955 120.400 -0.036 0.000 2.323 182 D HA -0.033 4.607 4.640 -0.001 0.000 0.209 182 D C 1.151 177.284 176.300 -0.279 0.000 0.973 182 D CA 0.424 54.343 54.000 -0.136 0.000 0.874 182 D CB 0.131 40.881 40.800 -0.083 0.000 0.930 182 D HN 0.464 nan 8.370 nan 0.000 0.521 183 N N -0.102 118.360 118.700 -0.398 0.000 2.211 183 N HA 0.024 4.764 4.740 -0.001 0.000 0.216 183 N C 1.468 176.884 175.510 -0.157 0.000 1.240 183 N CA -0.173 52.657 53.050 -0.368 0.000 0.895 183 N CB 1.024 38.936 38.487 -0.958 0.000 1.102 183 N HN -0.002 nan 8.380 nan 0.000 0.498 184 I N 3.143 123.641 120.570 -0.121 0.000 2.657 184 I HA -0.237 3.933 4.170 -0.001 0.000 0.261 184 I C 2.526 178.633 176.117 -0.017 0.000 1.212 184 I CA 1.260 62.595 61.300 0.057 0.000 1.453 184 I CB -0.176 37.832 38.000 0.014 0.000 1.092 184 I HN 0.201 nan 8.210 nan 0.000 0.452 185 Q N -0.829 118.782 119.800 -0.315 0.000 2.167 185 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 185 Q C 1.758 177.517 176.000 -0.402 0.000 0.970 185 Q CA 1.561 57.115 55.803 -0.415 0.000 0.855 185 Q CB -0.762 27.595 28.738 -0.635 0.000 0.911 185 Q HN 0.415 nan 8.270 nan 0.000 0.438 186 F N -0.253 119.636 119.950 -0.102 0.000 2.661 186 F HA 0.120 4.647 4.527 -0.001 0.000 0.298 186 F C 0.884 176.460 175.800 -0.373 0.000 1.137 186 F CA 0.256 58.100 58.000 -0.260 0.000 1.454 186 F CB -0.059 38.702 39.000 -0.398 0.000 1.103 186 F HN 0.002 nan 8.300 nan 0.000 0.577 187 F N -0.683 119.266 119.950 -0.002 0.000 2.695 187 F HA 0.426 4.952 4.527 -0.001 0.000 0.303 187 F C 1.783 177.593 175.800 0.017 0.000 1.091 187 F CA 0.348 58.331 58.000 -0.029 0.000 1.300 187 F CB 0.101 39.053 39.000 -0.080 0.000 1.071 187 F HN 0.031 nan 8.300 nan 0.000 0.578 188 G N 0.098 108.972 108.800 0.124 0.000 2.176 188 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.232 188 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.232 188 G C 0.602 175.541 174.900 0.065 0.000 0.986 188 G CA -0.322 44.830 45.100 0.086 0.000 0.643 188 G HN 0.700 nan 8.290 nan 0.000 0.522 189 G N -0.284 108.556 108.800 0.068 0.000 2.448 189 G HA2 0.492 4.452 3.960 -0.001 0.000 0.285 189 G HA3 0.492 4.452 3.960 -0.001 0.000 0.285 189 G C -0.719 174.162 174.900 -0.032 0.000 1.176 189 G CA 0.331 45.452 45.100 0.034 0.000 0.852 189 G HN 0.276 nan 8.290 nan 0.000 0.530 190 D N 1.647 122.028 120.400 -0.031 0.000 2.380 190 D HA 0.256 4.896 4.640 -0.001 0.000 0.230 190 D C -0.944 175.310 176.300 -0.076 0.000 1.154 190 D CA -2.381 51.581 54.000 -0.064 0.000 0.859 190 D CB 1.787 42.559 40.800 -0.045 0.000 1.045 190 D HN 0.078 nan 8.370 nan 0.000 0.495 191 P HA -0.141 nan 4.420 nan 0.000 0.226 191 P C 0.604 177.836 177.300 -0.114 0.000 1.153 191 P CA 0.834 63.829 63.100 -0.174 0.000 0.777 191 P CB 0.031 31.510 31.700 -0.369 0.000 0.794 192 K N -0.947 119.399 120.400 -0.090 0.000 2.404 192 K HA 0.138 4.457 4.320 -0.001 0.000 0.194 192 K C 0.026 176.610 176.600 -0.026 0.000 1.023 192 K CA 0.318 56.579 56.287 -0.044 0.000 1.094 192 K CB -0.276 32.193 32.500 -0.052 0.000 0.841 192 K HN -0.183 nan 8.250 nan 0.000 0.523 193 T N 1.556 116.096 114.554 -0.024 0.000 3.630 193 T HA 0.159 4.509 4.350 -0.001 0.000 0.238 193 T C -1.253 173.449 174.700 0.003 0.000 1.195 193 T CA -0.552 61.535 62.100 -0.022 0.000 1.433 193 T CB 0.933 69.777 68.868 -0.040 0.000 0.940 193 T HN 0.131 nan 8.240 nan 0.000 0.641 194 V N 1.843 121.787 119.914 0.049 0.000 2.435 194 V HA 0.674 4.793 4.120 -0.001 0.000 0.290 194 V C -0.468 175.706 176.094 0.134 0.000 1.030 194 V CA 0.018 62.374 62.300 0.092 0.000 0.881 194 V CB 1.597 33.498 31.823 0.130 0.000 0.983 194 V HN 0.503 nan 8.190 nan 0.000 0.445 195 T N 8.648 123.261 114.554 0.099 0.000 2.770 195 T HA 0.523 4.873 4.350 -0.001 0.000 0.283 195 T C -0.118 174.676 174.700 0.157 0.000 0.988 195 T CA -0.147 62.019 62.100 0.111 0.000 0.957 195 T CB 0.696 69.570 68.868 0.010 0.000 0.930 195 T HN 0.775 nan 8.240 nan 0.000 0.443 196 I N 1.764 122.400 120.570 0.111 0.000 2.396 196 I HA 0.855 5.024 4.170 -0.001 0.000 0.292 196 I C -0.813 175.464 176.117 0.267 0.000 0.999 196 I CA -0.937 60.419 61.300 0.095 0.000 1.310 196 I CB 0.846 38.677 38.000 -0.282 0.000 1.404 196 I HN 0.477 nan 8.210 nan 0.000 0.496 197 F N 3.041 123.016 119.950 0.041 0.000 2.619 197 F HA 0.998 5.524 4.527 -0.001 0.000 0.308 197 F C -0.448 175.343 175.800 -0.015 0.000 1.097 197 F CA -1.317 56.750 58.000 0.112 0.000 0.953 197 F CB 1.293 40.474 39.000 0.302 0.000 1.287 197 F HN 0.830 nan 8.300 nan 0.000 0.446 198 G N 0.937 109.632 108.800 -0.174 0.000 2.623 198 G HA2 0.507 4.466 3.960 -0.001 0.000 0.290 198 G HA3 0.507 4.466 3.960 -0.001 0.000 0.290 198 G C -2.488 172.238 174.900 -0.290 0.000 1.437 198 G CA -0.793 43.854 45.100 -0.755 0.000 0.798 198 G HN 0.858 nan 8.290 nan 0.000 0.488 199 E N 0.210 120.195 120.200 -0.358 0.000 2.238 199 E HA 0.618 4.968 4.350 -0.001 0.000 0.267 199 E C 0.622 177.177 176.600 -0.075 0.000 0.887 199 E CA 0.248 56.645 56.400 -0.006 0.000 0.769 199 E CB 2.123 31.966 29.700 0.238 0.000 1.187 199 E HN 0.807 nan 8.360 nan 0.000 0.416 200 S N 2.751 118.469 115.700 0.031 0.000 4.114 200 S HA -0.394 4.075 4.470 -0.001 0.000 0.618 200 S C 1.471 176.143 174.600 0.121 0.000 1.937 200 S CA 2.099 60.374 58.200 0.126 0.000 4.228 200 S CB -1.595 61.608 63.200 0.006 0.000 0.216 200 S HN 0.968 nan 8.310 nan 0.000 0.528 201 A N 0.934 123.706 122.820 -0.079 0.000 2.024 201 A HA 0.114 4.434 4.320 -0.001 0.000 0.220 201 A C 2.422 179.773 177.584 -0.388 0.000 1.164 201 A CA 2.497 54.303 52.037 -0.384 0.000 0.643 201 A CB -1.509 16.854 19.000 -1.062 0.000 0.806 201 A HN 1.567 nan 8.150 nan 0.000 0.451 202 G N -0.830 107.790 108.800 -0.300 0.000 2.421 202 G HA2 0.108 4.068 3.960 -0.001 0.000 0.217 202 G HA3 0.108 4.068 3.960 -0.001 0.000 0.217 202 G C 1.440 176.179 174.900 -0.267 0.000 1.143 202 G CA 1.101 45.985 45.100 -0.360 0.000 0.784 202 G HN 0.661 nan 8.290 nan 0.000 0.541 203 G N 0.950 109.655 108.800 -0.159 0.000 2.403 203 G HA2 0.129 4.088 3.960 -0.001 0.000 0.216 203 G HA3 0.129 4.088 3.960 -0.001 0.000 0.216 203 G C 1.987 176.818 174.900 -0.115 0.000 1.154 203 G CA 1.353 46.396 45.100 -0.095 0.000 0.784 203 G HN 0.566 nan 8.290 nan 0.000 0.538 204 A N 0.812 123.591 122.820 -0.069 0.000 1.898 204 A HA 0.055 4.374 4.320 -0.001 0.000 0.216 204 A C 2.682 180.238 177.584 -0.047 0.000 1.181 204 A CA 2.132 54.113 52.037 -0.093 0.000 0.620 204 A CB -0.589 18.401 19.000 -0.016 0.000 0.819 204 A HN 0.285 nan 8.150 nan 0.000 0.442 205 S N -0.414 115.281 115.700 -0.009 0.000 2.359 205 S HA -0.148 4.322 4.470 -0.001 0.000 0.224 205 S C 1.924 176.502 174.600 -0.037 0.000 1.035 205 S CA 1.460 59.644 58.200 -0.027 0.000 1.018 205 S CB -0.509 62.628 63.200 -0.106 0.000 0.876 205 S HN 0.339 nan 8.310 nan 0.000 0.448 206 V N 1.583 121.464 119.914 -0.054 0.000 2.287 206 V HA -0.201 3.918 4.120 -0.001 0.000 0.248 206 V C 2.599 178.672 176.094 -0.035 0.000 1.053 206 V CA 2.061 64.331 62.300 -0.050 0.000 1.027 206 V CB -1.451 30.309 31.823 -0.105 0.000 0.646 206 V HN 0.609 nan 8.190 nan 0.000 0.447 207 G N -1.128 107.597 108.800 -0.124 0.000 2.432 207 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.219 207 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.219 207 G C 1.593 176.502 174.900 0.016 0.000 1.135 207 G CA 1.002 45.997 45.100 -0.174 0.000 0.767 207 G HN 0.460 nan 8.290 nan 0.000 0.550 208 M N -0.233 119.389 119.600 0.036 0.000 2.229 208 M HA 0.022 4.501 4.480 -0.001 0.000 0.264 208 M C 2.220 178.640 176.300 0.201 0.000 1.063 208 M CA 0.838 56.273 55.300 0.225 0.000 1.114 208 M CB -0.201 32.539 32.600 0.232 0.000 1.387 208 M HN 0.199 nan 8.290 nan 0.000 0.420 209 H N -0.299 118.907 119.070 0.226 0.000 2.470 209 H HA 0.071 4.626 4.556 -0.001 0.000 0.289 209 H C 2.086 177.626 175.328 0.352 0.000 1.033 209 H CA 1.185 57.361 56.048 0.213 0.000 1.331 209 H CB -0.066 29.725 29.762 0.048 0.000 1.414 209 H HN 0.409 nan 8.280 nan 0.000 0.545 210 I N 0.538 121.391 120.570 0.472 0.000 2.315 210 I HA -0.232 3.937 4.170 -0.001 0.000 0.248 210 I C 2.185 178.552 176.117 0.417 0.000 1.117 210 I CA 0.881 62.502 61.300 0.535 0.000 1.404 210 I CB -0.052 38.224 38.000 0.459 0.000 1.071 210 I HN 0.113 nan 8.210 nan 0.000 0.419 211 L N -0.680 120.758 121.223 0.358 0.000 2.095 211 L HA -0.029 4.311 4.340 -0.001 0.000 0.204 211 L C 1.553 178.553 176.870 0.216 0.000 1.080 211 L CA 0.279 55.327 54.840 0.347 0.000 0.759 211 L CB -0.378 41.912 42.059 0.385 0.000 0.914 211 L HN 0.073 nan 8.230 nan 0.000 0.439 212 S N 0.364 116.118 115.700 0.090 0.000 2.481 212 S HA 0.095 4.564 4.470 -0.001 0.000 0.282 212 S C -1.464 173.028 174.600 -0.180 0.000 1.243 212 S CA -1.329 56.734 58.200 -0.228 0.000 1.078 212 S CB 0.831 63.510 63.200 -0.869 0.000 0.916 212 S HN -0.081 nan 8.310 nan 0.000 0.495 213 P HA -0.103 nan 4.420 nan 0.000 0.216 213 P C 1.410 178.625 177.300 -0.142 0.000 1.154 213 P CA 1.374 64.406 63.100 -0.113 0.000 0.865 213 P CB -0.105 31.534 31.700 -0.102 0.000 0.789 214 G N -1.826 106.836 108.800 -0.229 0.000 2.679 214 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.212 214 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.212 214 G C 1.321 176.138 174.900 -0.138 0.000 1.137 214 G CA 0.569 45.552 45.100 -0.195 0.000 0.787 214 G HN 0.241 nan 8.290 nan 0.000 0.534 215 S N -0.376 115.267 115.700 -0.095 0.000 2.539 215 S HA 0.098 4.567 4.470 -0.001 0.000 0.226 215 S C 2.263 176.958 174.600 0.158 0.000 1.054 215 S CA -0.463 57.789 58.200 0.086 0.000 0.910 215 S CB 0.181 63.570 63.200 0.315 0.000 0.818 215 S HN 0.353 nan 8.310 nan 0.000 0.490 216 R N 2.173 122.713 120.500 0.067 0.000 2.119 216 R HA -0.148 4.192 4.340 -0.001 0.000 0.246 216 R C 0.611 176.740 176.300 -0.285 0.000 1.146 216 R CA 1.691 57.735 56.100 -0.093 0.000 0.962 216 R CB -0.868 29.393 30.300 -0.065 0.000 0.863 216 R HN 0.351 nan 8.270 nan 0.000 0.442 217 D N 0.696 120.992 120.400 -0.173 0.000 2.363 217 D HA 0.000 4.640 4.640 -0.001 0.000 0.226 217 D C 1.585 177.777 176.300 -0.180 0.000 1.020 217 D CA 0.574 54.461 54.000 -0.188 0.000 0.892 217 D CB -0.013 40.692 40.800 -0.157 0.000 0.900 217 D HN 0.251 nan 8.370 nan 0.000 0.531 218 L N -0.234 120.932 121.223 -0.096 0.000 2.591 218 L HA 0.160 4.500 4.340 -0.001 0.000 0.228 218 L C -0.043 176.969 176.870 0.237 0.000 1.133 218 L CA -0.023 54.833 54.840 0.027 0.000 0.880 218 L CB -0.270 41.827 42.059 0.063 0.000 1.033 218 L HN -0.044 nan 8.230 nan 0.000 0.450 219 F N -4.219 115.743 119.950 0.021 0.000 2.713 219 F HA 0.555 5.082 4.527 -0.001 0.000 0.311 219 F C 0.362 176.185 175.800 0.038 0.000 1.141 219 F CA -1.344 56.678 58.000 0.037 0.000 0.939 219 F CB 1.167 40.182 39.000 0.026 0.000 1.325 219 F HN -0.395 nan 8.300 nan 0.000 0.453 220 R N 0.797 121.367 120.500 0.115 0.000 2.087 220 R HA 0.481 4.820 4.340 -0.001 0.000 0.213 220 R C 0.066 176.408 176.300 0.069 0.000 1.137 220 R CA 1.023 57.124 56.100 0.002 0.000 1.022 220 R CB 0.236 30.539 30.300 0.004 0.000 0.920 220 R HN 0.794 nan 8.270 nan 0.000 0.451 221 R N -1.395 119.229 120.500 0.207 0.000 2.905 221 R HA 0.774 5.113 4.340 -0.001 0.000 0.260 221 R C -1.485 175.037 176.300 0.371 0.000 1.086 221 R CA -0.716 55.504 56.100 0.201 0.000 0.978 221 R CB 2.210 32.423 30.300 -0.145 0.000 1.215 221 R HN 0.241 nan 8.270 nan 0.000 0.480 222 A N 1.014 124.053 122.820 0.365 0.000 2.549 222 A HA 0.672 4.992 4.320 -0.001 0.000 0.297 222 A C -1.350 176.380 177.584 0.243 0.000 1.061 222 A CA -0.607 51.593 52.037 0.270 0.000 0.690 222 A CB 1.312 20.434 19.000 0.203 0.000 1.287 222 A HN 0.554 nan 8.150 nan 0.000 0.402 223 I N 1.567 122.230 120.570 0.156 0.000 2.466 223 I HA 0.397 4.566 4.170 -0.001 0.000 0.289 223 I C -1.490 174.689 176.117 0.104 0.000 1.026 223 I CA -0.604 60.723 61.300 0.044 0.000 1.078 223 I CB 1.897 39.892 38.000 -0.008 0.000 1.249 223 I HN 0.420 nan 8.210 nan 0.000 0.429 224 L N 6.620 127.872 121.223 0.047 0.000 2.319 224 L HA 0.436 4.776 4.340 -0.001 0.000 0.281 224 L C -0.419 176.537 176.870 0.143 0.000 1.005 224 L CA -0.247 54.623 54.840 0.049 0.000 0.828 224 L CB 1.494 43.513 42.059 -0.067 0.000 1.227 224 L HN 0.491 nan 8.230 nan 0.000 0.415 225 Q N 1.966 121.904 119.800 0.230 0.000 2.347 225 Q HA 0.451 4.790 4.340 -0.001 0.000 0.262 225 Q C 0.026 176.161 176.000 0.224 0.000 0.980 225 Q CA -0.564 55.446 55.803 0.346 0.000 0.867 225 Q CB 1.423 30.467 28.738 0.510 0.000 1.242 225 Q HN 0.645 nan 8.270 nan 0.000 0.453 226 S N 1.126 116.947 115.700 0.201 0.000 3.559 226 S HA -0.167 4.302 4.470 -0.001 0.000 0.369 226 S C 0.025 174.766 174.600 0.236 0.000 0.987 226 S CA 0.592 58.920 58.200 0.213 0.000 1.187 226 S CB -1.146 62.212 63.200 0.264 0.000 0.914 226 S HN 0.981 nan 8.310 nan 0.000 0.480 227 G N -0.237 108.646 108.800 0.139 0.000 2.633 227 G HA2 0.575 4.534 3.960 -0.001 0.000 0.299 227 G HA3 0.575 4.534 3.960 -0.001 0.000 0.299 227 G C -0.947 173.908 174.900 -0.075 0.000 1.501 227 G CA 0.100 45.285 45.100 0.141 0.000 0.887 227 G HN 1.060 nan 8.290 nan 0.000 0.561 228 S N 1.665 117.247 115.700 -0.196 0.000 2.588 228 S HA 0.807 5.277 4.470 -0.001 0.000 0.275 228 S C -1.919 172.404 174.600 -0.461 0.000 1.130 228 S CA -1.200 56.736 58.200 -0.440 0.000 0.855 228 S CB 3.137 66.060 63.200 -0.461 0.000 1.116 228 S HN 0.412 nan 8.310 nan 0.000 0.472 229 P HA -0.147 nan 4.420 nan 0.000 0.218 229 P C 0.598 177.667 177.300 -0.386 0.000 1.148 229 P CA 1.382 64.255 63.100 -0.378 0.000 0.822 229 P CB -0.312 31.217 31.700 -0.285 0.000 0.784 230 N N -0.752 117.752 118.700 -0.328 0.000 2.370 230 N HA -0.016 4.724 4.740 -0.001 0.000 0.198 230 N C -0.026 175.260 175.510 -0.373 0.000 1.156 230 N CA -0.207 52.684 53.050 -0.265 0.000 0.839 230 N CB -1.362 37.088 38.487 -0.062 0.000 0.989 230 N HN 0.042 nan 8.380 nan 0.000 0.468 231 C N 2.775 121.733 119.300 -0.569 0.000 2.662 231 C HA 0.121 4.580 4.460 -0.001 0.000 0.420 231 C C -0.191 174.317 174.990 -0.804 0.000 1.314 231 C CA -0.962 57.587 59.018 -0.781 0.000 1.963 231 C CB 1.159 28.131 27.740 -1.280 0.000 2.686 231 C HN 0.358 nan 8.230 nan 0.000 0.609 232 P HA -0.123 nan 4.420 nan 0.000 0.223 232 P C 1.125 178.216 177.300 -0.349 0.000 1.144 232 P CA 1.834 64.654 63.100 -0.466 0.000 0.783 232 P CB -0.060 31.362 31.700 -0.463 0.000 0.771 233 W N -1.541 119.616 121.300 -0.238 0.000 3.107 233 W HA 0.545 5.205 4.660 -0.001 0.000 0.293 233 W C 1.319 177.864 176.519 0.043 0.000 1.239 233 W CA 0.360 57.635 57.345 -0.117 0.000 1.653 233 W CB -1.057 28.350 29.460 -0.090 0.000 1.068 233 W HN -0.131 nan 8.180 nan 0.000 0.615 234 A N 1.564 124.011 122.820 -0.622 0.000 2.168 234 A HA 0.121 4.440 4.320 -0.001 0.000 0.215 234 A C 1.071 178.463 177.584 -0.319 0.000 1.152 234 A CA 1.370 53.163 52.037 -0.405 0.000 0.716 234 A CB -0.603 17.921 19.000 -0.794 0.000 0.794 234 A HN 0.264 nan 8.150 nan 0.000 0.465 235 S N -2.136 113.379 115.700 -0.308 0.000 2.588 235 S HA 0.630 5.100 4.470 -0.001 0.000 0.269 235 S C -0.801 173.667 174.600 -0.220 0.000 1.157 235 S CA -0.099 57.921 58.200 -0.301 0.000 0.824 235 S CB 1.264 64.224 63.200 -0.400 0.000 1.126 235 S HN 1.384 nan 8.310 nan 0.000 0.464 236 V N -1.094 118.711 119.914 -0.182 0.000 3.181 236 V HA 0.945 5.065 4.120 -0.001 0.000 0.308 236 V C 0.118 176.139 176.094 -0.122 0.000 1.214 236 V CA -0.442 61.775 62.300 -0.137 0.000 1.053 236 V CB 1.135 32.893 31.823 -0.108 0.000 1.069 236 V HN 1.558 nan 8.190 nan 0.000 0.441 237 S N 0.554 116.193 115.700 -0.102 0.000 2.614 237 S HA 0.362 4.832 4.470 -0.001 0.000 0.265 237 S C 1.296 175.848 174.600 -0.080 0.000 1.303 237 S CA 0.017 58.162 58.200 -0.092 0.000 1.000 237 S CB 1.241 64.396 63.200 -0.075 0.000 0.935 237 S HN 2.141 nan 8.310 nan 0.000 0.551 238 V N -1.173 118.682 119.914 -0.098 0.000 2.490 238 V HA 0.005 4.125 4.120 -0.001 0.000 0.250 238 V C 2.493 178.567 176.094 -0.034 0.000 1.061 238 V CA 1.645 63.892 62.300 -0.089 0.000 1.064 238 V CB -2.002 29.698 31.823 -0.205 0.000 0.670 238 V HN 0.997 nan 8.190 nan 0.000 0.461 239 A N 0.704 123.501 122.820 -0.038 0.000 1.873 239 A HA -0.186 4.134 4.320 -0.001 0.000 0.215 239 A C 2.218 179.782 177.584 -0.034 0.000 1.186 239 A CA 1.948 53.970 52.037 -0.024 0.000 0.616 239 A CB -0.639 18.346 19.000 -0.025 0.000 0.823 239 A HN 0.624 nan 8.150 nan 0.000 0.442 240 E N 0.137 120.307 120.200 -0.050 0.000 2.152 240 E HA -0.003 4.347 4.350 -0.001 0.000 0.192 240 E C 1.925 178.488 176.600 -0.061 0.000 0.983 240 E CA 1.398 57.758 56.400 -0.068 0.000 0.818 240 E CB -0.765 28.885 29.700 -0.084 0.000 0.758 240 E HN 0.389 nan 8.360 nan 0.000 0.467 241 G N 0.762 109.539 108.800 -0.039 0.000 2.421 241 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.216 241 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.216 241 G C 1.755 176.665 174.900 0.016 0.000 1.171 241 G CA 0.859 45.957 45.100 -0.003 0.000 0.775 241 G HN 0.331 nan 8.290 nan 0.000 0.543 242 R N 0.261 120.766 120.500 0.009 0.000 2.073 242 R HA -0.029 4.311 4.340 -0.001 0.000 0.234 242 R C 2.577 178.875 176.300 -0.003 0.000 1.134 242 R CA 1.466 57.573 56.100 0.011 0.000 0.952 242 R CB -0.392 29.918 30.300 0.017 0.000 0.850 242 R HN 0.281 nan 8.270 nan 0.000 0.433 243 R N 0.638 121.125 120.500 -0.021 0.000 2.091 243 R HA -0.157 4.183 4.340 -0.001 0.000 0.238 243 R C 2.148 178.425 176.300 -0.038 0.000 1.136 243 R CA 1.932 58.011 56.100 -0.035 0.000 0.959 243 R CB -0.158 30.108 30.300 -0.057 0.000 0.856 243 R HN 0.308 nan 8.270 nan 0.000 0.437 244 R N -0.387 120.084 120.500 -0.048 0.000 2.115 244 R HA -0.027 4.313 4.340 -0.001 0.000 0.230 244 R C 2.312 178.656 176.300 0.074 0.000 1.111 244 R CA 1.130 57.194 56.100 -0.060 0.000 0.976 244 R CB -0.221 29.959 30.300 -0.199 0.000 0.870 244 R HN 0.252 nan 8.270 nan 0.000 0.445 245 A N 0.654 123.539 122.820 0.107 0.000 1.898 245 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 245 A C 2.297 179.892 177.584 0.019 0.000 1.181 245 A CA 1.156 53.248 52.037 0.091 0.000 0.620 245 A CB -0.375 18.625 19.000 -0.000 0.000 0.819 245 A HN 0.098 nan 8.150 nan 0.000 0.442 246 V N -0.041 119.876 119.914 0.006 0.000 2.358 246 V HA -0.203 3.917 4.120 -0.001 0.000 0.246 246 V C 2.577 178.674 176.094 0.005 0.000 1.047 246 V CA 2.321 64.618 62.300 -0.004 0.000 1.035 246 V CB -0.614 31.204 31.823 -0.008 0.000 0.658 246 V HN 0.683 nan 8.190 nan 0.000 0.452 247 E N 0.300 120.504 120.200 0.007 0.000 2.106 247 E HA -0.201 4.148 4.350 -0.001 0.000 0.192 247 E C 1.905 178.524 176.600 0.031 0.000 0.984 247 E CA 1.056 57.460 56.400 0.007 0.000 0.806 247 E CB -0.385 29.305 29.700 -0.016 0.000 0.750 247 E HN 0.432 nan 8.360 nan 0.000 0.458 248 L N -0.127 121.134 121.223 0.064 0.000 2.017 248 L HA 0.003 4.343 4.340 -0.001 0.000 0.208 248 L C 2.197 179.089 176.870 0.037 0.000 1.073 248 L CA 2.478 57.370 54.840 0.086 0.000 0.745 248 L CB -1.106 41.036 42.059 0.139 0.000 0.894 248 L HN 0.228 nan 8.230 nan 0.000 0.432 249 G N -1.006 107.802 108.800 0.014 0.000 2.432 249 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.219 249 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.219 249 G C 1.831 176.742 174.900 0.019 0.000 1.135 249 G CA 0.761 45.866 45.100 0.008 0.000 0.767 249 G HN 0.418 nan 8.290 nan 0.000 0.550 250 R N 0.315 120.826 120.500 0.019 0.000 2.115 250 R HA 0.013 4.353 4.340 -0.001 0.000 0.230 250 R C 2.114 178.429 176.300 0.026 0.000 1.111 250 R CA 0.981 57.093 56.100 0.019 0.000 0.976 250 R CB -0.254 30.055 30.300 0.014 0.000 0.870 250 R HN 0.296 nan 8.270 nan 0.000 0.445 251 N N 0.302 119.022 118.700 0.033 0.000 2.459 251 N HA -0.084 4.656 4.740 -0.001 0.000 0.181 251 N C 0.823 176.360 175.510 0.044 0.000 1.046 251 N CA 0.781 53.855 53.050 0.041 0.000 0.904 251 N CB 0.241 38.759 38.487 0.052 0.000 0.964 251 N HN 0.269 nan 8.380 nan 0.000 0.444 252 L N 0.971 122.218 121.223 0.040 0.000 2.965 252 L HA 0.199 4.539 4.340 -0.001 0.000 0.254 252 L C -0.432 176.461 176.870 0.038 0.000 1.220 252 L CA -0.235 54.631 54.840 0.042 0.000 1.023 252 L CB -0.119 41.966 42.059 0.043 0.000 1.355 252 L HN 0.000 nan 8.230 nan 0.000 0.545 253 N N 0.403 119.123 118.700 0.034 0.000 2.669 253 N HA -0.223 4.517 4.740 -0.001 0.000 0.266 253 N C 0.016 175.546 175.510 0.033 0.000 1.024 253 N CA 1.127 54.196 53.050 0.031 0.000 0.766 253 N CB -1.701 36.805 38.487 0.031 0.000 0.898 253 N HN 0.554 nan 8.380 nan 0.000 0.548 254 C N 0.533 119.852 119.300 0.032 0.000 2.349 254 C HA 0.591 5.050 4.460 -0.001 0.000 0.361 254 C C 1.138 176.146 174.990 0.030 0.000 1.189 254 C CA -0.786 58.254 59.018 0.037 0.000 2.155 254 C CB 1.072 28.834 27.740 0.036 0.000 2.336 254 C HN 0.552 nan 8.230 nan 0.000 0.540 255 N N 1.933 120.654 118.700 0.034 0.000 2.452 255 N HA 0.281 5.021 4.740 -0.001 0.000 0.266 255 N C 0.187 175.708 175.510 0.018 0.000 1.175 255 N CA 0.124 53.187 53.050 0.023 0.000 0.945 255 N CB 0.476 38.975 38.487 0.021 0.000 1.063 255 N HN 0.644 nan 8.380 nan 0.000 0.472 256 L N 2.778 124.007 121.223 0.011 0.000 2.769 256 L HA 0.203 4.543 4.340 -0.001 0.000 0.240 256 L C 1.276 178.148 176.870 0.003 0.000 1.163 256 L CA -0.254 54.590 54.840 0.006 0.000 0.962 256 L CB -0.117 41.944 42.059 0.005 0.000 1.258 256 L HN 0.425 nan 8.230 nan 0.000 0.513 257 N N 0.718 119.420 118.700 0.003 0.000 2.309 257 N HA -0.069 4.671 4.740 -0.001 0.000 0.182 257 N C 0.757 176.267 175.510 -0.001 0.000 1.018 257 N CA 0.925 53.975 53.050 -0.000 0.000 0.876 257 N CB 0.247 38.733 38.487 -0.002 0.000 0.972 257 N HN 0.448 nan 8.380 nan 0.000 0.434 258 S N -1.374 114.326 115.700 -0.001 0.000 2.596 258 S HA 0.335 4.804 4.470 -0.001 0.000 0.270 258 S C -0.056 174.544 174.600 0.000 0.000 1.155 258 S CA -0.869 57.330 58.200 -0.001 0.000 0.827 258 S CB 1.936 65.134 63.200 -0.003 0.000 1.130 258 S HN -0.250 nan 8.310 nan 0.000 0.467 259 D N 1.102 121.501 120.400 -0.003 0.000 2.123 259 D HA -0.063 4.577 4.640 -0.001 0.000 0.196 259 D C 1.520 177.826 176.300 0.009 0.000 0.992 259 D CA 1.691 55.688 54.000 -0.006 0.000 0.833 259 D CB -0.242 40.551 40.800 -0.012 0.000 0.954 259 D HN 0.673 nan 8.370 nan 0.000 0.455 260 E N 0.766 120.975 120.200 0.015 0.000 2.070 260 E HA -0.193 4.157 4.350 -0.001 0.000 0.197 260 E C 2.010 178.643 176.600 0.055 0.000 1.004 260 E CA 1.060 57.480 56.400 0.033 0.000 0.805 260 E CB -0.248 29.461 29.700 0.016 0.000 0.744 260 E HN 0.322 nan 8.360 nan 0.000 0.451 261 E N -0.320 119.898 120.200 0.029 0.000 2.047 261 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 261 E C 1.848 178.492 176.600 0.072 0.000 0.987 261 E CA 0.633 57.054 56.400 0.034 0.000 0.799 261 E CB -0.159 29.546 29.700 0.009 0.000 0.752 261 E HN 0.142 nan 8.360 nan 0.000 0.449 262 L N 0.674 121.921 121.223 0.041 0.000 1.994 262 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 262 L C 1.974 178.866 176.870 0.036 0.000 1.071 262 L CA 1.687 56.542 54.840 0.025 0.000 0.745 262 L CB -0.519 41.532 42.059 -0.013 0.000 0.892 262 L HN 0.235 nan 8.230 nan 0.000 0.431 263 I N -0.831 119.759 120.570 0.033 0.000 2.163 263 I HA -0.352 3.818 4.170 -0.001 0.000 0.243 263 I C 2.643 178.848 176.117 0.146 0.000 1.085 263 I CA 1.672 63.007 61.300 0.059 0.000 1.347 263 I CB -0.811 37.226 38.000 0.061 0.000 1.044 263 I HN 0.491 nan 8.210 nan 0.000 0.408 264 H N 1.390 120.496 119.070 0.061 0.000 2.352 264 H HA -0.265 4.290 4.556 -0.001 0.000 0.299 264 H C 2.363 177.730 175.328 0.065 0.000 1.097 264 H CA 2.344 58.429 56.048 0.062 0.000 1.311 264 H CB -0.126 29.659 29.762 0.039 0.000 1.377 264 H HN 0.634 nan 8.280 nan 0.000 0.504 265 C N 1.457 120.883 119.300 0.211 0.000 2.425 265 C HA 0.003 4.463 4.460 -0.001 0.000 0.277 265 C C 3.174 178.205 174.990 0.068 0.000 1.280 265 C CA 0.857 59.960 59.018 0.142 0.000 1.744 265 C CB -1.256 26.560 27.740 0.126 0.000 1.989 265 C HN 0.526 nan 8.230 nan 0.000 0.491 266 L N -0.411 120.868 121.223 0.093 0.000 2.141 266 L HA -0.104 4.235 4.340 -0.001 0.000 0.209 266 L C 2.939 179.912 176.870 0.173 0.000 1.094 266 L CA 1.036 55.963 54.840 0.144 0.000 0.763 266 L CB -0.448 41.711 42.059 0.166 0.000 0.908 266 L HN 0.408 nan 8.230 nan 0.000 0.437 267 R N -0.420 120.148 120.500 0.114 0.000 2.235 267 R HA -0.074 4.266 4.340 -0.001 0.000 0.213 267 R C 1.659 177.916 176.300 -0.071 0.000 1.059 267 R CA 0.473 56.569 56.100 -0.007 0.000 0.997 267 R CB 0.070 30.341 30.300 -0.049 0.000 0.884 267 R HN 0.279 nan 8.270 nan 0.000 0.462 268 E N 0.550 120.701 120.200 -0.083 0.000 2.442 268 E HA 0.014 4.364 4.350 -0.001 0.000 0.195 268 E C 0.013 176.610 176.600 -0.005 0.000 1.030 268 E CA 0.524 56.883 56.400 -0.068 0.000 0.869 268 E CB 0.292 29.947 29.700 -0.074 0.000 0.857 268 E HN 0.055 nan 8.360 nan 0.000 0.505 269 K N 1.568 121.982 120.400 0.024 0.000 2.237 269 K HA 0.196 4.515 4.320 -0.001 0.000 0.270 269 K C 0.418 177.055 176.600 0.062 0.000 1.015 269 K CA -0.160 56.157 56.287 0.049 0.000 0.949 269 K CB 0.944 33.484 32.500 0.067 0.000 0.976 269 K HN -0.101 nan 8.250 nan 0.000 0.472 270 K N 2.353 122.792 120.400 0.065 0.000 2.258 270 K HA 0.033 4.352 4.320 -0.001 0.000 0.264 270 K C -1.561 175.118 176.600 0.132 0.000 1.007 270 K CA -1.438 54.892 56.287 0.070 0.000 0.941 270 K CB 0.128 32.661 32.500 0.056 0.000 0.966 270 K HN 0.180 nan 8.250 nan 0.000 0.480 271 P HA -0.224 nan 4.420 nan 0.000 0.215 271 P C 1.071 178.557 177.300 0.309 0.000 1.157 271 P CA 1.222 64.494 63.100 0.287 0.000 0.874 271 P CB 0.238 31.941 31.700 0.004 0.000 0.790 272 Q N 0.110 120.014 119.800 0.173 0.000 2.364 272 Q HA -0.185 4.154 4.340 -0.001 0.000 0.209 272 Q C 1.780 177.877 176.000 0.162 0.000 0.977 272 Q CA 1.554 57.456 55.803 0.165 0.000 0.885 272 Q CB -0.821 27.982 28.738 0.108 0.000 0.941 272 Q HN 0.373 nan 8.270 nan 0.000 0.464 273 E N -0.952 119.334 120.200 0.143 0.000 2.107 273 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 273 E C 1.560 178.228 176.600 0.113 0.000 0.982 273 E CA 0.905 57.374 56.400 0.115 0.000 0.809 273 E CB 0.024 29.778 29.700 0.091 0.000 0.756 273 E HN 0.270 nan 8.360 nan 0.000 0.459 274 L N 0.644 121.935 121.223 0.114 0.000 2.131 274 L HA -0.096 4.243 4.340 -0.001 0.000 0.206 274 L C 2.226 179.148 176.870 0.087 0.000 1.087 274 L CA 1.169 56.033 54.840 0.039 0.000 0.767 274 L CB -0.297 41.685 42.059 -0.129 0.000 0.917 274 L HN 0.111 nan 8.230 nan 0.000 0.441 275 I N -0.318 120.362 120.570 0.184 0.000 2.286 275 I HA -0.276 3.893 4.170 -0.001 0.000 0.248 275 I C 1.746 178.024 176.117 0.268 0.000 1.115 275 I CA 1.083 62.535 61.300 0.254 0.000 1.392 275 I CB -0.416 37.785 38.000 0.335 0.000 1.065 275 I HN 0.260 nan 8.210 nan 0.000 0.418 276 D N 0.308 120.843 120.400 0.226 0.000 2.309 276 D HA -0.101 4.539 4.640 -0.001 0.000 0.212 276 D C 1.789 178.211 176.300 0.203 0.000 0.968 276 D CA 1.302 55.435 54.000 0.222 0.000 0.882 276 D CB 0.147 41.044 40.800 0.162 0.000 0.918 276 D HN 0.408 nan 8.370 nan 0.000 0.503 277 V N -3.050 116.964 119.914 0.167 0.000 3.432 277 V HA 0.199 4.319 4.120 -0.001 0.000 0.298 277 V C 1.747 177.919 176.094 0.130 0.000 1.464 277 V CA -0.157 62.228 62.300 0.143 0.000 1.046 277 V CB 0.420 32.306 31.823 0.105 0.000 0.887 277 V HN -0.101 nan 8.190 nan 0.000 0.441 278 E N 0.937 121.201 120.200 0.107 0.000 2.086 278 E HA -0.281 4.068 4.350 -0.001 0.000 0.200 278 E C 1.529 178.050 176.600 -0.132 0.000 1.012 278 E CA 2.751 59.167 56.400 0.027 0.000 0.812 278 E CB -0.227 29.405 29.700 -0.113 0.000 0.743 278 E HN 0.821 nan 8.360 nan 0.000 0.453 279 W N 0.701 121.986 121.300 -0.025 0.000 2.825 279 W HA 0.018 4.677 4.660 -0.001 0.000 0.243 279 W C 1.523 178.002 176.519 -0.067 0.000 1.293 279 W CA -0.027 57.261 57.345 -0.095 0.000 1.403 279 W CB 0.037 29.402 29.460 -0.158 0.000 1.134 279 W HN 0.087 nan 8.180 nan 0.000 0.666 280 N N 0.111 118.897 118.700 0.142 0.000 2.521 280 N HA -0.075 4.664 4.740 -0.001 0.000 0.188 280 N C 1.632 177.153 175.510 0.017 0.000 1.146 280 N CA 1.177 54.277 53.050 0.082 0.000 0.893 280 N CB -0.282 38.252 38.487 0.078 0.000 0.975 280 N HN 0.256 nan 8.380 nan 0.000 0.451 281 V N -2.470 117.422 119.914 -0.036 0.000 3.621 281 V HA 0.275 4.394 4.120 -0.001 0.000 0.285 281 V C 0.737 176.741 176.094 -0.149 0.000 1.346 281 V CA -0.178 62.063 62.300 -0.099 0.000 1.104 281 V CB -0.516 31.223 31.823 -0.141 0.000 0.913 281 V HN -0.027 nan 8.190 nan 0.000 0.432 282 L N 2.635 123.790 121.223 -0.113 0.000 2.525 282 L HA 0.164 4.504 4.340 -0.001 0.000 0.278 282 L C -0.227 176.541 176.870 -0.171 0.000 1.218 282 L CA -0.714 54.055 54.840 -0.119 0.000 0.878 282 L CB 0.634 42.687 42.059 -0.010 0.000 1.127 282 L HN 0.182 nan 8.230 nan 0.000 0.492 283 P HA -0.076 nan 4.420 nan 0.000 0.219 283 P C -0.116 176.786 177.300 -0.663 0.000 1.150 283 P CA 1.240 63.987 63.100 -0.588 0.000 0.814 283 P CB 0.274 31.438 31.700 -0.893 0.000 0.787 284 F N -0.561 119.389 119.950 -0.000 0.000 2.611 284 F HA 0.393 4.920 4.527 -0.001 0.000 0.324 284 F C 0.477 176.286 175.800 0.014 0.000 1.061 284 F CA -1.649 56.357 58.000 0.011 0.000 0.954 284 F CB 0.145 39.158 39.000 0.022 0.000 1.301 284 F HN -0.344 nan 8.300 nan 0.000 0.482 285 D N 1.232 121.776 120.400 0.241 0.000 2.358 285 D HA 0.405 5.044 4.640 -0.001 0.000 0.258 285 D C -0.602 175.775 176.300 0.129 0.000 1.223 285 D CA 0.490 54.568 54.000 0.131 0.000 0.886 285 D CB 0.442 41.300 40.800 0.095 0.000 1.120 285 D HN 0.637 nan 8.370 nan 0.000 0.482 286 S N 3.108 118.868 115.700 0.101 0.000 2.643 286 S HA 0.561 5.030 4.470 -0.001 0.000 0.270 286 S C -0.837 173.798 174.600 0.058 0.000 1.166 286 S CA -1.052 57.200 58.200 0.085 0.000 0.815 286 S CB 0.897 64.171 63.200 0.125 0.000 1.139 286 S HN 0.454 nan 8.310 nan 0.000 0.472 287 I N 0.401 121.005 120.570 0.057 0.000 2.740 287 I HA 0.655 4.825 4.170 -0.001 0.000 0.303 287 I C -0.826 175.332 176.117 0.069 0.000 1.044 287 I CA -0.944 60.400 61.300 0.074 0.000 1.064 287 I CB 1.495 39.546 38.000 0.084 0.000 1.249 287 I HN 0.921 nan 8.210 nan 0.000 0.433 288 F N 4.916 124.759 119.950 -0.178 0.000 3.091 288 F HA -0.212 4.314 4.527 -0.001 0.000 0.288 288 F C -0.626 174.684 175.800 -0.816 0.000 0.907 288 F CA 0.539 58.178 58.000 -0.602 0.000 1.028 288 F CB -0.675 37.875 39.000 -0.750 0.000 1.022 288 F HN 0.479 nan 8.300 nan 0.000 0.665 289 R N 0.544 120.686 120.500 -0.596 0.000 2.574 289 R HA 0.587 4.926 4.340 -0.001 0.000 0.288 289 R C -0.963 174.985 176.300 -0.586 0.000 1.004 289 R CA -0.552 55.230 56.100 -0.530 0.000 0.895 289 R CB 1.270 31.505 30.300 -0.110 0.000 1.191 289 R HN -0.016 nan 8.270 nan 0.000 0.444 290 F N -0.537 119.528 119.950 0.192 0.000 2.546 290 F HA 0.390 4.917 4.527 -0.001 0.000 0.320 290 F C 1.650 177.365 175.800 -0.141 0.000 1.076 290 F CA -0.892 57.134 58.000 0.044 0.000 0.928 290 F CB 1.556 40.676 39.000 0.199 0.000 1.189 290 F HN 0.356 nan 8.300 nan 0.000 0.465 291 S N 0.697 116.257 115.700 -0.233 0.000 2.344 291 S HA -0.079 4.390 4.470 -0.001 0.000 0.217 291 S C 0.133 174.290 174.600 -0.739 0.000 1.033 291 S CA 1.286 59.131 58.200 -0.591 0.000 1.017 291 S CB -0.291 62.376 63.200 -0.889 0.000 0.941 291 S HN 0.350 nan 8.310 nan 0.000 0.430 292 F N 1.796 121.742 119.950 -0.006 0.000 2.332 292 F HA 0.549 5.075 4.527 -0.001 0.000 0.368 292 F C 0.093 175.894 175.800 0.002 0.000 1.110 292 F CA -0.963 57.066 58.000 0.049 0.000 1.087 292 F CB 0.925 39.989 39.000 0.108 0.000 1.235 292 F HN -0.054 nan 8.300 nan 0.000 0.470 293 V N 0.860 120.761 119.914 -0.022 0.000 3.158 293 V HA 0.764 4.883 4.120 -0.001 0.000 0.311 293 V C -2.864 172.991 176.094 -0.397 0.000 1.181 293 V CA -3.333 58.690 62.300 -0.462 0.000 1.054 293 V CB 1.939 33.629 31.823 -0.222 0.000 1.085 293 V HN 0.253 nan 8.190 nan 0.000 0.446 294 P HA 0.221 nan 4.420 nan 0.000 0.267 294 P C -0.900 176.328 177.300 -0.119 0.000 1.201 294 P CA 0.322 63.282 63.100 -0.234 0.000 0.775 294 P CB 0.622 32.097 31.700 -0.375 0.000 0.854 295 V N 4.029 123.955 119.914 0.020 0.000 2.656 295 V HA 0.331 4.450 4.120 -0.001 0.000 0.307 295 V C -0.549 175.588 176.094 0.070 0.000 1.051 295 V CA -1.013 61.284 62.300 -0.005 0.000 0.893 295 V CB 1.442 33.275 31.823 0.016 0.000 0.999 295 V HN 0.223 nan 8.190 nan 0.000 0.426 296 I N 7.065 127.607 120.570 -0.047 0.000 2.453 296 I HA 0.174 4.343 4.170 -0.001 0.000 0.300 296 I C 1.023 177.147 176.117 0.012 0.000 1.159 296 I CA 0.375 61.675 61.300 0.001 0.000 1.379 296 I CB -0.271 37.659 38.000 -0.116 0.000 1.460 296 I HN 0.850 nan 8.210 nan 0.000 0.601 297 D N 3.323 123.791 120.400 0.114 0.000 2.366 297 D HA 0.057 4.697 4.640 -0.001 0.000 0.205 297 D C 1.421 177.729 176.300 0.015 0.000 1.022 297 D CA 0.829 54.809 54.000 -0.033 0.000 0.868 297 D CB 0.441 41.305 40.800 0.106 0.000 0.953 297 D HN 0.632 nan 8.370 nan 0.000 0.514 298 G N 0.319 109.185 108.800 0.110 0.000 2.175 298 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.244 298 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.244 298 G C 0.795 175.765 174.900 0.116 0.000 0.982 298 G CA 0.528 45.691 45.100 0.105 0.000 0.641 298 G HN 0.466 nan 8.290 nan 0.000 0.527 299 E N -1.448 118.832 120.200 0.134 0.000 2.538 299 E HA 0.375 4.725 4.350 -0.001 0.000 0.188 299 E C 1.774 178.394 176.600 0.033 0.000 1.014 299 E CA -0.169 56.285 56.400 0.089 0.000 1.140 299 E CB -0.024 29.744 29.700 0.114 0.000 1.262 299 E HN 0.201 nan 8.360 nan 0.000 0.488 300 F N 0.938 120.805 119.950 -0.137 0.000 2.134 300 F HA -0.007 4.520 4.527 -0.001 0.000 0.299 300 F C 0.186 175.673 175.800 -0.522 0.000 1.097 300 F CA 1.090 58.862 58.000 -0.379 0.000 1.264 300 F CB 0.317 38.984 39.000 -0.556 0.000 1.001 300 F HN -0.135 nan 8.300 nan 0.000 0.479 301 F N 0.742 120.841 119.950 0.249 0.000 2.382 301 F HA 0.364 4.891 4.527 -0.001 0.000 0.361 301 F C -1.621 174.221 175.800 0.070 0.000 1.109 301 F CA -2.889 55.198 58.000 0.144 0.000 1.031 301 F CB 0.629 39.705 39.000 0.127 0.000 1.234 301 F HN -0.243 nan 8.300 nan 0.000 0.445 302 P HA -0.123 nan 4.420 nan 0.000 0.215 302 P C 0.524 177.884 177.300 0.101 0.000 1.157 302 P CA 1.894 65.054 63.100 0.100 0.000 0.874 302 P CB 0.199 31.935 31.700 0.059 0.000 0.790 303 T N -6.201 108.421 114.554 0.113 0.000 2.591 303 T HA 0.460 4.810 4.350 -0.001 0.000 0.274 303 T C -0.134 174.603 174.700 0.063 0.000 0.945 303 T CA -0.590 61.553 62.100 0.072 0.000 1.087 303 T CB 0.549 69.445 68.868 0.047 0.000 1.416 303 T HN -0.019 nan 8.240 nan 0.000 0.514 304 S N -0.053 115.661 115.700 0.023 0.000 2.573 304 S HA 0.218 4.687 4.470 -0.001 0.000 0.277 304 S C 1.406 176.004 174.600 -0.003 0.000 1.346 304 S CA -0.740 57.453 58.200 -0.013 0.000 1.034 304 S CB -0.323 62.868 63.200 -0.016 0.000 0.879 304 S HN 0.638 nan 8.310 nan 0.000 0.528 305 L N 0.421 121.608 121.223 -0.060 0.000 2.093 305 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 305 L C 2.899 179.796 176.870 0.044 0.000 1.085 305 L CA 1.621 56.442 54.840 -0.032 0.000 0.755 305 L CB -0.691 41.288 42.059 -0.133 0.000 0.904 305 L HN 0.763 nan 8.230 nan 0.000 0.435 306 E N 0.587 120.810 120.200 0.038 0.000 2.077 306 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 306 E C 2.295 178.948 176.600 0.089 0.000 0.989 306 E CA 1.649 58.102 56.400 0.089 0.000 0.800 306 E CB -0.074 29.671 29.700 0.074 0.000 0.746 306 E HN 0.467 nan 8.360 nan 0.000 0.452 307 S N -0.646 115.090 115.700 0.061 0.000 2.406 307 S HA -0.124 4.346 4.470 -0.001 0.000 0.228 307 S C 2.099 176.736 174.600 0.063 0.000 1.020 307 S CA 1.111 59.344 58.200 0.055 0.000 0.965 307 S CB -0.308 62.914 63.200 0.036 0.000 0.798 307 S HN 0.226 nan 8.310 nan 0.000 0.488 308 M N 0.933 120.586 119.600 0.088 0.000 2.132 308 M HA 0.083 4.562 4.480 -0.001 0.000 0.263 308 M C 2.173 178.597 176.300 0.207 0.000 1.065 308 M CA 1.321 56.697 55.300 0.127 0.000 1.122 308 M CB -0.616 32.091 32.600 0.178 0.000 1.365 308 M HN 0.301 nan 8.290 nan 0.000 0.411 309 L N -0.070 121.278 121.223 0.208 0.000 2.141 309 L HA -0.206 4.134 4.340 -0.001 0.000 0.209 309 L C 2.150 179.155 176.870 0.225 0.000 1.094 309 L CA 0.781 55.764 54.840 0.238 0.000 0.763 309 L CB -0.741 41.376 42.059 0.096 0.000 0.908 309 L HN 0.372 nan 8.230 nan 0.000 0.437 310 N N -0.370 118.414 118.700 0.140 0.000 2.270 310 N HA -0.108 4.632 4.740 -0.001 0.000 0.181 310 N C 1.921 177.489 175.510 0.097 0.000 1.016 310 N CA 1.592 54.725 53.050 0.138 0.000 0.870 310 N CB 0.033 38.583 38.487 0.106 0.000 0.979 310 N HN 0.322 nan 8.380 nan 0.000 0.431 311 S N -1.060 114.618 115.700 -0.037 0.000 2.575 311 S HA 0.247 4.716 4.470 -0.001 0.000 0.215 311 S C 1.299 175.526 174.600 -0.621 0.000 0.966 311 S CA 0.421 58.521 58.200 -0.168 0.000 0.911 311 S CB 0.274 63.407 63.200 -0.112 0.000 0.780 311 S HN 0.348 nan 8.310 nan 0.000 0.514 312 G N 1.967 110.136 108.800 -1.051 0.000 2.160 312 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.251 312 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.251 312 G C -0.017 173.974 174.900 -1.516 0.000 1.008 312 G CA 0.080 43.873 45.100 -2.178 0.000 0.724 312 G HN 0.594 nan 8.290 nan 0.000 0.514 313 N N 0.653 118.915 118.700 -0.729 0.000 2.895 313 N HA 0.512 5.251 4.740 -0.001 0.000 0.277 313 N C -0.179 175.266 175.510 -0.109 0.000 1.185 313 N CA -0.048 52.787 53.050 -0.357 0.000 1.106 313 N CB -0.896 37.519 38.487 -0.120 0.000 1.422 313 N HN 0.735 nan 8.380 nan 0.000 0.521 314 F N -1.102 118.783 119.950 -0.108 0.000 2.799 314 F HA 0.358 4.885 4.527 -0.001 0.000 0.316 314 F C -0.408 175.399 175.800 0.011 0.000 1.155 314 F CA -1.403 56.601 58.000 0.008 0.000 0.916 314 F CB 0.569 39.632 39.000 0.106 0.000 1.294 314 F HN -0.153 nan 8.300 nan 0.000 0.447 315 K N 1.798 122.420 120.400 0.370 0.000 2.447 315 K HA 0.179 4.499 4.320 -0.001 0.000 0.281 315 K C -1.050 175.769 176.600 0.365 0.000 1.031 315 K CA -0.056 56.369 56.287 0.230 0.000 1.019 315 K CB 0.476 33.064 32.500 0.146 0.000 0.918 315 K HN 0.687 nan 8.250 nan 0.000 0.476 316 K N 2.764 123.263 120.400 0.165 0.000 2.263 316 K HA 0.201 4.520 4.320 -0.001 0.000 0.272 316 K C -0.213 176.495 176.600 0.181 0.000 1.033 316 K CA -0.251 56.135 56.287 0.164 0.000 0.884 316 K CB 1.891 34.402 32.500 0.018 0.000 1.107 316 K HN 0.667 nan 8.250 nan 0.000 0.460 317 T N 1.343 116.087 114.554 0.317 0.000 2.627 317 T HA 0.288 4.638 4.350 -0.001 0.000 0.294 317 T C -1.436 173.453 174.700 0.315 0.000 1.230 317 T CA -0.638 61.601 62.100 0.233 0.000 1.084 317 T CB 0.603 69.574 68.868 0.172 0.000 1.693 317 T HN 0.394 nan 8.240 nan 0.000 0.465 318 Q N 0.966 120.923 119.800 0.261 0.000 2.235 318 Q HA 0.770 5.109 4.340 -0.001 0.000 0.256 318 Q C -0.491 175.785 176.000 0.461 0.000 0.951 318 Q CA -0.507 55.507 55.803 0.351 0.000 0.890 318 Q CB 1.556 30.497 28.738 0.337 0.000 1.279 318 Q HN 0.678 nan 8.270 nan 0.000 0.444 319 I N -1.379 119.410 120.570 0.366 0.000 2.769 319 I HA 0.689 4.858 4.170 -0.001 0.000 0.298 319 I C -1.515 174.498 176.117 -0.174 0.000 1.128 319 I CA -1.349 60.047 61.300 0.161 0.000 1.031 319 I CB 1.868 39.783 38.000 -0.142 0.000 1.235 319 I HN 0.533 nan 8.210 nan 0.000 0.423 320 L N 6.909 127.828 121.223 -0.506 0.000 2.381 320 L HA 0.803 5.143 4.340 -0.001 0.000 0.274 320 L C -1.286 175.392 176.870 -0.320 0.000 0.988 320 L CA -0.551 53.867 54.840 -0.702 0.000 0.824 320 L CB 1.661 42.793 42.059 -1.545 0.000 1.263 320 L HN 0.843 nan 8.230 nan 0.000 0.410 321 L N 2.351 123.500 121.223 -0.124 0.000 2.720 321 L HA 1.097 5.436 4.340 -0.001 0.000 0.261 321 L C -0.841 175.838 176.870 -0.319 0.000 1.046 321 L CA -0.451 54.345 54.840 -0.073 0.000 0.886 321 L CB 1.879 43.883 42.059 -0.091 0.000 1.493 321 L HN 0.677 nan 8.230 nan 0.000 0.407 322 G N -0.075 108.342 108.800 -0.639 0.000 2.430 322 G HA2 0.593 4.553 3.960 -0.001 0.000 0.300 322 G HA3 0.593 4.553 3.960 -0.001 0.000 0.300 322 G C -1.525 173.055 174.900 -0.533 0.000 1.330 322 G CA 0.013 44.404 45.100 -1.181 0.000 0.813 322 G HN 1.491 nan 8.290 nan 0.000 0.487 323 V N -2.544 117.224 119.914 -0.243 0.000 3.160 323 V HA 0.854 4.974 4.120 -0.001 0.000 0.310 323 V C -0.935 175.275 176.094 0.193 0.000 1.181 323 V CA -1.444 60.916 62.300 0.099 0.000 1.047 323 V CB 1.868 33.770 31.823 0.131 0.000 1.068 323 V HN 0.663 nan 8.190 nan 0.000 0.441 324 N N 0.897 119.718 118.700 0.202 0.000 2.489 324 N HA 0.412 5.151 4.740 -0.001 0.000 0.284 324 N C 0.596 176.077 175.510 -0.048 0.000 1.158 324 N CA -0.475 52.672 53.050 0.162 0.000 0.965 324 N CB 1.671 40.336 38.487 0.297 0.000 1.195 324 N HN 0.919 nan 8.380 nan 0.000 0.506 325 K N 0.100 120.365 120.400 -0.223 0.000 2.057 325 K HA -0.069 4.251 4.320 -0.001 0.000 0.207 325 K C -0.621 176.063 176.600 0.140 0.000 1.049 325 K CA 1.248 57.453 56.287 -0.136 0.000 0.931 325 K CB 0.212 32.655 32.500 -0.096 0.000 0.714 325 K HN 0.520 nan 8.250 nan 0.000 0.440 326 D N 1.188 121.676 120.400 0.147 0.000 2.795 326 D HA 0.034 4.673 4.640 -0.001 0.000 0.335 326 D C 0.190 176.621 176.300 0.219 0.000 1.262 326 D CA -0.081 54.029 54.000 0.184 0.000 0.885 326 D CB 1.220 42.112 40.800 0.153 0.000 1.047 326 D HN 0.155 nan 8.370 nan 0.000 0.500 327 E N 0.532 120.876 120.200 0.240 0.000 2.171 327 E HA -0.141 4.208 4.350 -0.001 0.000 0.197 327 E C 1.968 178.741 176.600 0.289 0.000 0.997 327 E CA 0.818 57.392 56.400 0.290 0.000 0.810 327 E CB 0.078 29.924 29.700 0.243 0.000 0.738 327 E HN 0.432 nan 8.360 nan 0.000 0.467 328 G N 1.203 110.148 108.800 0.243 0.000 2.551 328 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.216 328 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.216 328 G C 1.709 176.784 174.900 0.292 0.000 1.137 328 G CA 0.849 46.117 45.100 0.280 0.000 0.798 328 G HN 0.371 nan 8.290 nan 0.000 0.536 329 S N 0.599 116.432 115.700 0.221 0.000 2.392 329 S HA -0.220 4.250 4.470 -0.001 0.000 0.232 329 S C 2.069 176.697 174.600 0.048 0.000 1.041 329 S CA 1.289 59.590 58.200 0.169 0.000 1.026 329 S CB -0.575 62.655 63.200 0.050 0.000 0.845 329 S HN 0.187 nan 8.310 nan 0.000 0.465 330 F N 1.832 121.697 119.950 -0.141 0.000 2.134 330 F HA 0.093 4.619 4.527 -0.001 0.000 0.299 330 F C 1.718 177.252 175.800 -0.443 0.000 1.097 330 F CA 0.750 58.497 58.000 -0.421 0.000 1.264 330 F CB -0.530 38.053 39.000 -0.695 0.000 1.001 330 F HN 0.187 nan 8.300 nan 0.000 0.479 331 F N -0.762 119.219 119.950 0.051 0.000 2.456 331 F HA -0.036 4.491 4.527 -0.001 0.000 0.298 331 F C 2.066 177.852 175.800 -0.023 0.000 1.104 331 F CA 0.623 58.603 58.000 -0.032 0.000 1.435 331 F CB -0.880 38.028 39.000 -0.153 0.000 1.078 331 F HN -0.101 nan 8.300 nan 0.000 0.546 332 L N -0.849 120.393 121.223 0.032 0.000 2.095 332 L HA -0.122 4.217 4.340 -0.001 0.000 0.204 332 L C 2.406 179.152 176.870 -0.207 0.000 1.080 332 L CA 0.400 55.032 54.840 -0.347 0.000 0.759 332 L CB -0.558 40.953 42.059 -0.914 0.000 0.914 332 L HN 0.139 nan 8.230 nan 0.000 0.439 333 L N -0.955 120.338 121.223 0.117 0.000 2.042 333 L HA -0.255 4.085 4.340 -0.001 0.000 0.210 333 L C 2.302 179.351 176.870 0.297 0.000 1.076 333 L CA 2.071 57.129 54.840 0.364 0.000 0.749 333 L CB -0.647 41.611 42.059 0.332 0.000 0.893 333 L HN 0.125 nan 8.230 nan 0.000 0.432 334 Y N -0.736 119.609 120.300 0.075 0.000 2.365 334 Y HA 0.203 4.752 4.550 -0.001 0.000 0.293 334 Y C 2.336 178.242 175.900 0.010 0.000 1.119 334 Y CA 0.990 59.125 58.100 0.057 0.000 1.203 334 Y CB -0.364 38.117 38.460 0.034 0.000 1.026 334 Y HN 0.269 nan 8.280 nan 0.000 0.549 335 G N -1.671 107.221 108.800 0.153 0.000 3.342 335 G HA2 0.447 4.407 3.960 -0.001 0.000 0.252 335 G HA3 0.447 4.407 3.960 -0.001 0.000 0.252 335 G C -0.093 174.842 174.900 0.057 0.000 1.011 335 G CA 0.382 45.527 45.100 0.075 0.000 0.869 335 G HN 0.273 nan 8.290 nan 0.000 0.514 336 A N 1.745 124.597 122.820 0.053 0.000 2.317 336 A HA 0.781 5.101 4.320 -0.001 0.000 0.327 336 A C -2.455 175.277 177.584 0.246 0.000 1.178 336 A CA -1.572 50.524 52.037 0.098 0.000 0.817 336 A CB 1.199 20.192 19.000 -0.011 0.000 1.189 336 A HN 0.069 nan 8.150 nan 0.000 0.489 337 P HA 0.252 nan 4.420 nan 0.000 0.268 337 P C 0.858 178.250 177.300 0.153 0.000 1.204 337 P CA 1.458 64.644 63.100 0.142 0.000 0.768 337 P CB 1.113 32.861 31.700 0.079 0.000 0.842 338 G N 1.983 110.813 108.800 0.051 0.000 2.254 338 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.225 338 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.225 338 G C -0.251 174.471 174.900 -0.296 0.000 1.003 338 G CA -0.514 44.499 45.100 -0.145 0.000 0.622 338 G HN 0.424 nan 8.290 nan 0.000 0.507 339 F N 2.251 122.135 119.950 -0.110 0.000 2.394 339 F HA 0.745 5.271 4.527 -0.001 0.000 0.340 339 F C 0.685 176.477 175.800 -0.014 0.000 1.105 339 F CA -0.392 57.505 58.000 -0.173 0.000 1.124 339 F CB 2.107 41.042 39.000 -0.109 0.000 1.145 339 F HN 0.027 nan 8.300 nan 0.000 0.505 340 S N 1.686 117.485 115.700 0.166 0.000 2.546 340 S HA 0.263 4.733 4.470 -0.001 0.000 0.274 340 S C 0.633 175.464 174.600 0.386 0.000 1.121 340 S CA -1.099 57.238 58.200 0.227 0.000 0.887 340 S CB 2.222 65.478 63.200 0.093 0.000 1.094 340 S HN 0.723 nan 8.310 nan 0.000 0.474 341 K N 0.779 121.349 120.400 0.284 0.000 2.148 341 K HA -0.056 4.263 4.320 -0.001 0.000 0.204 341 K C -0.108 176.555 176.600 0.105 0.000 1.050 341 K CA 1.378 57.755 56.287 0.150 0.000 0.942 341 K CB 0.065 32.383 32.500 -0.304 0.000 0.724 341 K HN 0.444 nan 8.250 nan 0.000 0.446 342 D N 0.405 120.849 120.400 0.073 0.000 2.388 342 D HA 0.031 4.670 4.640 -0.001 0.000 0.221 342 D C -0.225 176.121 176.300 0.077 0.000 1.133 342 D CA 0.126 54.149 54.000 0.038 0.000 0.831 342 D CB 0.803 41.591 40.800 -0.020 0.000 0.962 342 D HN 0.191 nan 8.370 nan 0.000 0.502 343 S N -1.360 114.420 115.700 0.133 0.000 2.661 343 S HA 0.331 4.800 4.470 -0.001 0.000 0.285 343 S C 0.721 175.368 174.600 0.078 0.000 1.138 343 S CA -0.749 57.490 58.200 0.065 0.000 0.855 343 S CB 2.317 65.508 63.200 -0.014 0.000 1.136 343 S HN -0.148 nan 8.310 nan 0.000 0.484 344 E N 0.858 121.058 120.200 0.000 0.000 2.409 344 E HA 0.006 4.355 4.350 -0.001 0.000 0.198 344 E C -0.300 176.070 176.600 -0.383 0.000 1.024 344 E CA 0.650 57.028 56.400 -0.037 0.000 0.861 344 E CB -0.303 29.382 29.700 -0.025 0.000 0.788 344 E HN 0.723 nan 8.360 nan 0.000 0.521 345 S N 0.974 116.393 115.700 -0.468 0.000 3.631 345 S HA -0.183 4.287 4.470 -0.001 0.000 0.366 345 S C -0.308 173.907 174.600 -0.642 0.000 0.993 345 S CA 0.657 58.423 58.200 -0.723 0.000 1.167 345 S CB -1.181 61.199 63.200 -1.367 0.000 0.909 345 S HN 0.279 nan 8.310 nan 0.000 0.478 346 K N 0.955 121.127 120.400 -0.380 0.000 2.368 346 K HA 0.296 4.615 4.320 -0.001 0.000 0.282 346 K C 0.369 176.778 176.600 -0.318 0.000 1.035 346 K CA -0.128 55.988 56.287 -0.285 0.000 0.973 346 K CB 0.414 32.812 32.500 -0.171 0.000 0.957 346 K HN 0.217 nan 8.250 nan 0.000 0.474 347 I N 2.529 122.920 120.570 -0.299 0.000 2.392 347 I HA 0.080 4.249 4.170 -0.001 0.000 0.295 347 I C 1.025 177.075 176.117 -0.113 0.000 0.985 347 I CA -0.318 60.833 61.300 -0.248 0.000 1.221 347 I CB 1.281 39.135 38.000 -0.243 0.000 1.366 347 I HN 0.701 nan 8.210 nan 0.000 0.467 348 S N 6.652 122.306 115.700 -0.076 0.000 2.661 348 S HA 0.363 4.833 4.470 -0.001 0.000 0.265 348 S C 1.192 175.803 174.600 0.019 0.000 1.225 348 S CA -0.515 57.662 58.200 -0.037 0.000 0.986 348 S CB 1.420 64.603 63.200 -0.028 0.000 1.008 348 S HN 0.515 nan 8.310 nan 0.000 0.565 349 R N 0.945 121.454 120.500 0.016 0.000 2.092 349 R HA -0.038 4.302 4.340 -0.001 0.000 0.231 349 R C 2.171 178.547 176.300 0.126 0.000 1.119 349 R CA 1.388 57.523 56.100 0.058 0.000 0.970 349 R CB -0.997 29.327 30.300 0.039 0.000 0.864 349 R HN 0.780 nan 8.270 nan 0.000 0.440 350 E N 0.814 121.061 120.200 0.078 0.000 2.033 350 E HA -0.195 4.155 4.350 -0.001 0.000 0.199 350 E C 1.511 178.162 176.600 0.086 0.000 1.011 350 E CA 1.232 57.676 56.400 0.073 0.000 0.815 350 E CB -0.400 29.324 29.700 0.041 0.000 0.755 350 E HN 0.315 nan 8.360 nan 0.000 0.451 351 D N 0.047 120.490 120.400 0.072 0.000 2.264 351 D HA -0.094 4.545 4.640 -0.001 0.000 0.208 351 D C 1.729 178.097 176.300 0.115 0.000 0.966 351 D CA 0.337 54.379 54.000 0.071 0.000 0.864 351 D CB -0.371 40.443 40.800 0.023 0.000 0.933 351 D HN 0.082 nan 8.370 nan 0.000 0.499 352 F N 1.257 121.215 119.950 0.013 0.000 2.075 352 F HA -0.131 4.395 4.527 -0.001 0.000 0.297 352 F C 2.304 178.132 175.800 0.047 0.000 1.113 352 F CA 1.335 59.354 58.000 0.031 0.000 1.218 352 F CB -0.214 38.784 39.000 -0.004 0.000 0.984 352 F HN -0.183 nan 8.300 nan 0.000 0.472 353 M N -1.000 118.673 119.600 0.122 0.000 2.296 353 M HA -0.171 4.308 4.480 -0.001 0.000 0.265 353 M C 2.324 178.603 176.300 -0.034 0.000 1.064 353 M CA 1.231 56.547 55.300 0.027 0.000 1.109 353 M CB -0.534 32.149 32.600 0.138 0.000 1.396 353 M HN 0.095 nan 8.290 nan 0.000 0.430 354 S N 0.473 116.173 115.700 -0.000 0.000 2.368 354 S HA -0.061 4.409 4.470 -0.001 0.000 0.224 354 S C 1.961 176.543 174.600 -0.029 0.000 1.029 354 S CA 1.429 59.630 58.200 0.002 0.000 0.988 354 S CB -0.455 62.764 63.200 0.031 0.000 0.838 354 S HN 0.668 nan 8.310 nan 0.000 0.462 355 G N 0.742 109.507 108.800 -0.058 0.000 2.408 355 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.217 355 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.217 355 G C 1.440 176.243 174.900 -0.161 0.000 1.150 355 G CA 0.905 45.957 45.100 -0.079 0.000 0.776 355 G HN 0.423 nan 8.290 nan 0.000 0.542 356 V N 0.927 120.680 119.914 -0.268 0.000 2.343 356 V HA -0.141 3.978 4.120 -0.001 0.000 0.247 356 V C 2.708 178.730 176.094 -0.121 0.000 1.051 356 V CA 2.214 64.375 62.300 -0.231 0.000 1.036 356 V CB -0.304 31.367 31.823 -0.253 0.000 0.654 356 V HN 0.361 nan 8.190 nan 0.000 0.451 357 K N 0.163 120.507 120.400 -0.092 0.000 2.097 357 K HA -0.156 4.164 4.320 -0.001 0.000 0.206 357 K C 1.751 178.314 176.600 -0.062 0.000 1.049 357 K CA 1.592 57.836 56.287 -0.071 0.000 0.933 357 K CB -0.541 31.933 32.500 -0.043 0.000 0.717 357 K HN 0.270 nan 8.250 nan 0.000 0.442 358 L N 0.334 121.532 121.223 -0.042 0.000 2.156 358 L HA 0.018 4.357 4.340 -0.001 0.000 0.208 358 L C 1.972 178.836 176.870 -0.009 0.000 1.095 358 L CA 1.495 56.328 54.840 -0.012 0.000 0.770 358 L CB -0.581 41.479 42.059 0.001 0.000 0.914 358 L HN 0.113 nan 8.230 nan 0.000 0.439 359 S N -1.683 113.993 115.700 -0.039 0.000 2.436 359 S HA 0.065 4.535 4.470 -0.001 0.000 0.228 359 S C 0.904 175.483 174.600 -0.034 0.000 1.014 359 S CA 0.368 58.550 58.200 -0.030 0.000 0.950 359 S CB 0.263 63.421 63.200 -0.071 0.000 0.784 359 S HN 0.135 nan 8.310 nan 0.000 0.504 360 V N 3.382 123.243 119.914 -0.088 0.000 2.361 360 V HA 0.211 4.331 4.120 -0.001 0.000 0.252 360 V C -1.731 174.245 176.094 -0.196 0.000 0.986 360 V CA -1.414 60.783 62.300 -0.172 0.000 1.033 360 V CB 0.801 32.482 31.823 -0.237 0.000 1.282 360 V HN 0.182 nan 8.190 nan 0.000 0.514 361 P HA -0.205 nan 4.420 nan 0.000 0.217 361 P C 1.163 178.106 177.300 -0.595 0.000 1.148 361 P CA 1.628 64.582 63.100 -0.244 0.000 0.828 361 P CB 0.032 31.697 31.700 -0.059 0.000 0.783 362 H N -0.744 118.023 119.070 -0.504 0.000 2.547 362 H HA 0.425 4.980 4.556 -0.001 0.000 0.266 362 H C 0.491 175.643 175.328 -0.293 0.000 0.988 362 H CA -0.143 55.614 56.048 -0.484 0.000 1.147 362 H CB -0.818 28.834 29.762 -0.183 0.000 1.365 362 H HN -0.002 nan 8.280 nan 0.000 0.589 363 A N 2.419 124.919 122.820 -0.534 0.000 2.331 363 A HA 0.264 4.583 4.320 -0.001 0.000 0.283 363 A C 0.379 177.828 177.584 -0.227 0.000 1.142 363 A CA -0.549 51.260 52.037 -0.381 0.000 0.812 363 A CB 0.403 19.182 19.000 -0.369 0.000 1.074 363 A HN 0.641 nan 8.150 nan 0.000 0.497 364 N N 1.652 120.255 118.700 -0.161 0.000 2.327 364 N HA 0.079 4.818 4.740 -0.001 0.000 0.257 364 N C 0.001 175.461 175.510 -0.083 0.000 1.281 364 N CA -0.224 52.765 53.050 -0.103 0.000 0.942 364 N CB 0.153 38.594 38.487 -0.076 0.000 1.199 364 N HN 0.470 nan 8.380 nan 0.000 0.532 365 D N -0.865 119.504 120.400 -0.051 0.000 2.149 365 D HA -0.126 4.513 4.640 -0.001 0.000 0.198 365 D C 1.685 177.976 176.300 -0.015 0.000 0.990 365 D CA 0.785 54.768 54.000 -0.028 0.000 0.839 365 D CB -0.266 40.525 40.800 -0.014 0.000 0.948 365 D HN 0.469 nan 8.370 nan 0.000 0.460 366 L N 0.525 121.735 121.223 -0.021 0.000 2.083 366 L HA -0.004 4.335 4.340 -0.001 0.000 0.209 366 L C 2.135 179.004 176.870 -0.002 0.000 1.083 366 L CA 2.017 56.853 54.840 -0.006 0.000 0.752 366 L CB -0.879 41.168 42.059 -0.020 0.000 0.899 366 L HN 0.069 nan 8.230 nan 0.000 0.433 367 G N -0.508 108.263 108.800 -0.048 0.000 2.421 367 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.216 367 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.216 367 G C 1.595 176.488 174.900 -0.012 0.000 1.171 367 G CA 1.009 46.071 45.100 -0.065 0.000 0.775 367 G HN 0.429 nan 8.290 nan 0.000 0.543 368 L N 0.533 121.740 121.223 -0.026 0.000 2.079 368 L HA -0.089 4.251 4.340 -0.001 0.000 0.210 368 L C 2.480 179.392 176.870 0.069 0.000 1.081 368 L CA 1.229 56.071 54.840 0.004 0.000 0.752 368 L CB -0.379 41.671 42.059 -0.015 0.000 0.896 368 L HN 0.111 nan 8.230 nan 0.000 0.433 369 D N 0.086 120.531 120.400 0.076 0.000 2.144 369 D HA -0.125 4.515 4.640 -0.001 0.000 0.200 369 D C 2.236 178.627 176.300 0.152 0.000 0.978 369 D CA 1.398 55.467 54.000 0.116 0.000 0.833 369 D CB -0.012 40.839 40.800 0.086 0.000 0.961 369 D HN 0.311 nan 8.370 nan 0.000 0.470 370 A N 0.683 123.604 122.820 0.168 0.000 1.877 370 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 370 A C 2.545 180.253 177.584 0.208 0.000 1.186 370 A CA 1.321 53.517 52.037 0.265 0.000 0.620 370 A CB -0.823 18.424 19.000 0.413 0.000 0.822 370 A HN 0.133 nan 8.150 nan 0.000 0.443 371 V N -0.307 119.741 119.914 0.223 0.000 2.255 371 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 371 V C 2.754 178.953 176.094 0.175 0.000 1.051 371 V CA 2.569 64.944 62.300 0.125 0.000 1.018 371 V CB -1.370 30.545 31.823 0.153 0.000 0.641 371 V HN 0.603 nan 8.190 nan 0.000 0.445 372 T N 0.480 115.165 114.554 0.217 0.000 2.720 372 T HA -0.201 4.148 4.350 -0.001 0.000 0.268 372 T C 1.867 176.752 174.700 0.307 0.000 1.037 372 T CA 1.948 64.252 62.100 0.339 0.000 1.144 372 T CB -0.355 68.718 68.868 0.342 0.000 0.864 372 T HN 0.313 nan 8.240 nan 0.000 0.444 373 L N 1.249 122.633 121.223 0.269 0.000 2.056 373 L HA 0.013 4.352 4.340 -0.001 0.000 0.207 373 L C 2.405 179.332 176.870 0.095 0.000 1.078 373 L CA 1.799 56.825 54.840 0.310 0.000 0.749 373 L CB -0.911 41.280 42.059 0.221 0.000 0.901 373 L HN 0.101 nan 8.230 nan 0.000 0.433 374 Q N -1.223 118.515 119.800 -0.103 0.000 2.226 374 Q HA -0.187 4.152 4.340 -0.001 0.000 0.204 374 Q C 1.001 176.747 176.000 -0.423 0.000 0.975 374 Q CA 1.838 57.397 55.803 -0.406 0.000 0.866 374 Q CB -0.206 27.943 28.738 -0.981 0.000 0.915 374 Q HN 0.695 nan 8.270 nan 0.000 0.440 375 Y N -1.220 119.027 120.300 -0.090 0.000 2.584 375 Y HA 0.343 4.892 4.550 -0.001 0.000 0.254 375 Y C -0.245 175.579 175.900 -0.126 0.000 1.177 375 Y CA -0.248 57.846 58.100 -0.009 0.000 1.216 375 Y CB 0.998 39.565 38.460 0.180 0.000 1.172 375 Y HN -0.182 nan 8.280 nan 0.000 0.529 376 T N 0.489 114.925 114.554 -0.196 0.000 2.824 376 T HA 0.144 4.493 4.350 -0.001 0.000 0.280 376 T C -0.960 173.332 174.700 -0.681 0.000 0.995 376 T CA -0.645 61.077 62.100 -0.630 0.000 1.009 376 T CB 1.253 69.430 68.868 -1.153 0.000 0.955 376 T HN -0.018 nan 8.240 nan 0.000 0.452 377 D N 1.774 121.819 120.400 -0.592 0.000 2.456 377 D HA 0.169 4.809 4.640 -0.001 0.000 0.219 377 D C 0.030 176.080 176.300 -0.417 0.000 1.126 377 D CA -0.882 52.895 54.000 -0.371 0.000 0.890 377 D CB 0.324 40.992 40.800 -0.219 0.000 1.025 377 D HN 0.588 nan 8.370 nan 0.000 0.511 378 W N 3.024 124.284 121.300 -0.067 0.000 2.848 378 W HA 0.030 4.690 4.660 -0.001 0.000 0.241 378 W C 1.821 178.311 176.519 -0.048 0.000 1.289 378 W CA -0.011 57.299 57.345 -0.058 0.000 1.396 378 W CB -0.186 29.245 29.460 -0.048 0.000 1.138 378 W HN 0.388 nan 8.180 nan 0.000 0.677 379 M N -0.633 119.016 119.600 0.081 0.000 2.556 379 M HA 0.050 4.529 4.480 -0.001 0.000 0.245 379 M C 0.077 176.381 176.300 0.005 0.000 1.128 379 M CA 1.120 56.450 55.300 0.050 0.000 1.069 379 M CB 0.164 32.779 32.600 0.024 0.000 1.469 379 M HN -0.195 nan 8.290 nan 0.000 0.494 380 D N 0.213 120.588 120.400 -0.042 0.000 3.671 380 D HA -0.014 4.626 4.640 -0.001 0.000 0.291 380 D C 0.381 176.598 176.300 -0.138 0.000 1.373 380 D CA 0.046 54.004 54.000 -0.070 0.000 0.753 380 D CB 0.266 41.025 40.800 -0.068 0.000 1.338 380 D HN 0.200 nan 8.370 nan 0.000 0.690 381 D N -0.719 119.594 120.400 -0.145 0.000 2.310 381 D HA -0.126 4.514 4.640 -0.001 0.000 0.212 381 D C 0.513 176.692 176.300 -0.203 0.000 0.965 381 D CA 0.335 54.181 54.000 -0.258 0.000 0.879 381 D CB 0.157 40.826 40.800 -0.217 0.000 0.921 381 D HN 0.136 nan 8.370 nan 0.000 0.510 382 N N 0.551 119.182 118.700 -0.115 0.000 2.276 382 N HA -0.007 4.733 4.740 -0.001 0.000 0.212 382 N C -0.367 175.085 175.510 -0.096 0.000 1.127 382 N CA -0.150 52.844 53.050 -0.093 0.000 0.834 382 N CB -0.084 38.374 38.487 -0.048 0.000 1.014 382 N HN 0.400 nan 8.380 nan 0.000 0.491 383 N N -0.008 118.621 118.700 -0.117 0.000 2.405 383 N HA 0.084 4.823 4.740 -0.001 0.000 0.260 383 N C 1.480 176.924 175.510 -0.110 0.000 1.152 383 N CA -0.285 52.706 53.050 -0.099 0.000 0.948 383 N CB 0.714 39.144 38.487 -0.096 0.000 1.111 383 N HN 0.045 nan 8.380 nan 0.000 0.485 384 G N 3.708 112.451 108.800 -0.095 0.000 2.442 384 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.219 384 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.219 384 G C 1.270 176.109 174.900 -0.102 0.000 1.141 384 G CA 0.644 45.679 45.100 -0.108 0.000 0.763 384 G HN 0.681 nan 8.290 nan 0.000 0.554 385 I N -0.075 120.452 120.570 -0.071 0.000 2.439 385 I HA -0.071 4.099 4.170 -0.001 0.000 0.251 385 I C 2.753 178.862 176.117 -0.014 0.000 1.139 385 I CA 0.895 62.175 61.300 -0.035 0.000 1.438 385 I CB -0.095 37.899 38.000 -0.009 0.000 1.085 385 I HN 0.114 nan 8.210 nan 0.000 0.427 386 K N 0.595 120.967 120.400 -0.047 0.000 2.103 386 K HA -0.098 4.221 4.320 -0.001 0.000 0.204 386 K C 1.850 178.412 176.600 -0.063 0.000 1.052 386 K CA 1.083 57.338 56.287 -0.054 0.000 0.945 386 K CB -0.117 32.317 32.500 -0.110 0.000 0.722 386 K HN 0.283 nan 8.250 nan 0.000 0.443 387 N N 0.920 119.547 118.700 -0.120 0.000 2.142 387 N HA -0.162 4.577 4.740 -0.001 0.000 0.186 387 N C 1.739 177.366 175.510 0.195 0.000 1.023 387 N CA 0.841 53.833 53.050 -0.097 0.000 0.852 387 N CB -0.213 38.187 38.487 -0.145 0.000 0.998 387 N HN 0.179 nan 8.380 nan 0.000 0.424 388 R N 1.402 121.948 120.500 0.076 0.000 2.070 388 R HA -0.119 4.221 4.340 -0.001 0.000 0.233 388 R C 0.705 177.167 176.300 0.269 0.000 1.137 388 R CA 1.568 57.737 56.100 0.115 0.000 0.945 388 R CB -0.244 30.011 30.300 -0.075 0.000 0.845 388 R HN 0.132 nan 8.270 nan 0.000 0.430 389 D N -0.559 119.964 120.400 0.206 0.000 2.178 389 D HA -0.084 4.555 4.640 -0.001 0.000 0.202 389 D C 1.753 178.208 176.300 0.259 0.000 0.974 389 D CA 1.401 55.542 54.000 0.234 0.000 0.841 389 D CB -0.522 40.385 40.800 0.178 0.000 0.953 389 D HN 0.521 nan 8.370 nan 0.000 0.478 390 G N 0.862 109.826 108.800 0.275 0.000 2.418 390 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 390 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 390 G C 1.577 176.677 174.900 0.334 0.000 1.158 390 G CA 0.266 45.588 45.100 0.371 0.000 0.771 390 G HN 0.183 nan 8.290 nan 0.000 0.545 391 L N 0.896 122.345 121.223 0.377 0.000 2.056 391 L HA 0.015 4.355 4.340 -0.001 0.000 0.207 391 L C 2.287 179.223 176.870 0.110 0.000 1.078 391 L CA 1.784 56.719 54.840 0.157 0.000 0.749 391 L CB -0.543 41.674 42.059 0.263 0.000 0.901 391 L HN 0.175 nan 8.230 nan 0.000 0.433 392 D N -0.599 119.930 120.400 0.216 0.000 2.123 392 D HA -0.215 4.425 4.640 -0.001 0.000 0.196 392 D C 1.568 177.955 176.300 0.145 0.000 0.992 392 D CA 1.303 55.424 54.000 0.202 0.000 0.833 392 D CB 0.154 41.129 40.800 0.291 0.000 0.954 392 D HN 0.337 nan 8.370 nan 0.000 0.455 393 D N 0.132 120.630 120.400 0.162 0.000 2.117 393 D HA -0.095 4.545 4.640 -0.001 0.000 0.197 393 D C 2.348 178.656 176.300 0.013 0.000 0.987 393 D CA 0.335 54.441 54.000 0.176 0.000 0.829 393 D CB -0.214 40.795 40.800 0.350 0.000 0.961 393 D HN 0.360 nan 8.370 nan 0.000 0.460 394 I N 0.519 120.943 120.570 -0.242 0.000 2.127 394 I HA -0.269 3.901 4.170 -0.001 0.000 0.241 394 I C 2.451 178.424 176.117 -0.241 0.000 1.075 394 I CA 0.787 61.853 61.300 -0.389 0.000 1.334 394 I CB -0.237 37.520 38.000 -0.405 0.000 1.040 394 I HN -0.104 nan 8.210 nan 0.000 0.405 395 V N 0.978 120.808 119.914 -0.140 0.000 2.287 395 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 395 V C 2.532 178.525 176.094 -0.169 0.000 1.053 395 V CA 2.283 64.513 62.300 -0.116 0.000 1.027 395 V CB -1.560 30.267 31.823 0.006 0.000 0.646 395 V HN 0.612 nan 8.190 nan 0.000 0.447 396 G N -0.481 108.283 108.800 -0.060 0.000 2.404 396 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.215 396 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.215 396 G C 1.237 176.068 174.900 -0.114 0.000 1.174 396 G CA 0.953 46.033 45.100 -0.034 0.000 0.780 396 G HN 0.500 nan 8.290 nan 0.000 0.537 397 D N -0.153 120.179 120.400 -0.113 0.000 2.084 397 D HA -0.097 4.542 4.640 -0.001 0.000 0.194 397 D C 2.096 178.081 176.300 -0.525 0.000 0.990 397 D CA 1.359 55.261 54.000 -0.163 0.000 0.826 397 D CB -0.484 40.361 40.800 0.074 0.000 0.971 397 D HN 0.420 nan 8.370 nan 0.000 0.453 398 H N 0.872 119.313 119.070 -1.048 0.000 2.357 398 H HA 0.026 4.581 4.556 -0.001 0.000 0.301 398 H C 1.523 176.466 175.328 -0.640 0.000 1.082 398 H CA 1.712 57.023 56.048 -1.228 0.000 1.342 398 H CB 0.023 28.892 29.762 -1.487 0.000 1.389 398 H HN -0.005 nan 8.280 nan 0.000 0.511 399 N N -0.683 117.554 118.700 -0.772 0.000 2.395 399 N HA -0.019 4.721 4.740 -0.001 0.000 0.175 399 N C 1.256 176.491 175.510 -0.459 0.000 1.029 399 N CA 1.134 53.673 53.050 -0.851 0.000 0.897 399 N CB 0.917 38.455 38.487 -1.583 0.000 0.991 399 N HN 0.281 nan 8.380 nan 0.000 0.441 400 V N 0.397 120.131 119.914 -0.301 0.000 3.278 400 V HA 0.155 4.274 4.120 -0.001 0.000 0.215 400 V C 2.064 178.135 176.094 -0.038 0.000 1.287 400 V CA -0.047 62.210 62.300 -0.071 0.000 1.302 400 V CB 0.071 31.923 31.823 0.049 0.000 1.228 400 V HN -0.065 nan 8.190 nan 0.000 0.523 401 I N 1.167 121.728 120.570 -0.015 0.000 2.113 401 I HA -0.291 3.878 4.170 -0.001 0.000 0.238 401 I C 2.908 179.039 176.117 0.022 0.000 1.070 401 I CA 2.171 63.491 61.300 0.033 0.000 1.332 401 I CB -0.612 37.446 38.000 0.096 0.000 1.044 401 I HN 0.630 nan 8.210 nan 0.000 0.402 402 C N 1.781 121.083 119.300 0.003 0.000 2.425 402 C HA -0.038 4.422 4.460 -0.001 0.000 0.277 402 C C 0.647 175.671 174.990 0.056 0.000 1.280 402 C CA 1.351 60.412 59.018 0.072 0.000 1.744 402 C CB -2.018 25.803 27.740 0.134 0.000 1.989 402 C HN 0.284 nan 8.230 nan 0.000 0.491 403 P HA -0.046 nan 4.420 nan 0.000 0.219 403 P C 1.794 179.122 177.300 0.046 0.000 1.150 403 P CA 0.742 63.824 63.100 -0.030 0.000 0.814 403 P CB -0.157 31.435 31.700 -0.180 0.000 0.787 404 L N -1.780 119.451 121.223 0.014 0.000 2.093 404 L HA -0.114 4.226 4.340 -0.001 0.000 0.208 404 L C 2.053 178.972 176.870 0.081 0.000 1.085 404 L CA 1.520 56.382 54.840 0.036 0.000 0.755 404 L CB -0.485 41.569 42.059 -0.009 0.000 0.904 404 L HN -0.104 nan 8.230 nan 0.000 0.435 405 M N -1.135 118.506 119.600 0.069 0.000 2.229 405 M HA -0.206 4.273 4.480 -0.001 0.000 0.264 405 M C 2.234 178.609 176.300 0.125 0.000 1.063 405 M CA 1.544 56.883 55.300 0.066 0.000 1.114 405 M CB -1.493 31.159 32.600 0.088 0.000 1.387 405 M HN 0.399 nan 8.290 nan 0.000 0.420 406 H N -0.156 118.960 119.070 0.076 0.000 2.321 406 H HA -0.170 4.386 4.556 -0.001 0.000 0.300 406 H C 1.823 177.207 175.328 0.093 0.000 1.087 406 H CA 2.019 58.119 56.048 0.086 0.000 1.319 406 H CB -0.352 29.456 29.762 0.077 0.000 1.379 406 H HN 0.228 nan 8.280 nan 0.000 0.501 407 F N 0.128 120.048 119.950 -0.050 0.000 2.069 407 F HA -0.206 4.320 4.527 -0.001 0.000 0.298 407 F C 2.611 178.341 175.800 -0.117 0.000 1.113 407 F CA 1.667 59.593 58.000 -0.122 0.000 1.214 407 F CB -1.064 37.868 39.000 -0.115 0.000 0.978 407 F HN 0.133 nan 8.300 nan 0.000 0.474 408 V N 1.199 121.047 119.914 -0.109 0.000 2.332 408 V HA -0.329 3.790 4.120 -0.001 0.000 0.248 408 V C 2.246 178.214 176.094 -0.210 0.000 1.055 408 V CA 2.687 64.815 62.300 -0.287 0.000 1.038 408 V CB -0.671 30.892 31.823 -0.433 0.000 0.651 408 V HN 0.474 nan 8.190 nan 0.000 0.450 409 N N -0.185 118.467 118.700 -0.080 0.000 2.188 409 N HA -0.114 4.626 4.740 -0.001 0.000 0.184 409 N C 1.823 177.325 175.510 -0.013 0.000 1.018 409 N CA 1.256 54.349 53.050 0.070 0.000 0.858 409 N CB -0.240 38.314 38.487 0.112 0.000 0.989 409 N HN 0.458 nan 8.380 nan 0.000 0.426 410 K N 0.356 120.665 120.400 -0.152 0.000 2.062 410 K HA -0.092 4.228 4.320 -0.001 0.000 0.205 410 K C 1.943 178.524 176.600 -0.032 0.000 1.051 410 K CA 0.583 56.801 56.287 -0.113 0.000 0.941 410 K CB -0.700 31.657 32.500 -0.238 0.000 0.719 410 K HN 0.284 nan 8.250 nan 0.000 0.440 411 Y N 2.291 122.346 120.300 -0.408 0.000 2.163 411 Y HA -0.210 4.339 4.550 -0.001 0.000 0.288 411 Y C 2.215 178.107 175.900 -0.014 0.000 1.136 411 Y CA 1.915 59.766 58.100 -0.415 0.000 1.147 411 Y CB -0.399 37.508 38.460 -0.922 0.000 0.987 411 Y HN 0.012 nan 8.280 nan 0.000 0.509 412 T N 0.640 115.258 114.554 0.107 0.000 2.869 412 T HA -0.245 4.104 4.350 -0.001 0.000 0.270 412 T C 1.816 176.540 174.700 0.039 0.000 1.082 412 T CA 1.707 63.894 62.100 0.144 0.000 1.123 412 T CB -0.284 68.750 68.868 0.278 0.000 0.856 412 T HN 0.333 nan 8.240 nan 0.000 0.499 413 K N -0.094 120.305 120.400 -0.001 0.000 2.211 413 K HA -0.031 4.289 4.320 -0.001 0.000 0.203 413 K C 1.065 177.441 176.600 -0.374 0.000 1.050 413 K CA 1.232 57.404 56.287 -0.191 0.000 0.945 413 K CB -0.060 32.279 32.500 -0.268 0.000 0.732 413 K HN 0.373 nan 8.250 nan 0.000 0.451 414 F N -0.208 119.681 119.950 -0.101 0.000 2.724 414 F HA 0.295 4.822 4.527 -0.001 0.000 0.306 414 F C 1.337 177.017 175.800 -0.200 0.000 1.100 414 F CA -0.297 57.605 58.000 -0.162 0.000 1.255 414 F CB 0.248 39.093 39.000 -0.259 0.000 1.072 414 F HN -0.039 nan 8.300 nan 0.000 0.589 415 G N -0.024 108.711 108.800 -0.107 0.000 2.653 415 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.265 415 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.265 415 G C 0.384 175.327 174.900 0.072 0.000 1.237 415 G CA -0.355 44.705 45.100 -0.066 0.000 0.946 415 G HN 0.291 nan 8.290 nan 0.000 0.522 416 N N -0.502 118.287 118.700 0.148 0.000 2.238 416 N HA 0.276 5.016 4.740 -0.001 0.000 0.222 416 N C 0.310 175.891 175.510 0.117 0.000 1.133 416 N CA 0.437 53.551 53.050 0.107 0.000 0.854 416 N CB 0.317 38.862 38.487 0.097 0.000 1.041 416 N HN 0.857 nan 8.380 nan 0.000 0.510 417 G N 0.504 109.386 108.800 0.136 0.000 2.196 417 G HA2 0.011 3.971 3.960 -0.001 0.000 0.215 417 G HA3 0.011 3.971 3.960 -0.001 0.000 0.215 417 G C -1.276 173.641 174.900 0.028 0.000 1.640 417 G CA -0.753 44.380 45.100 0.054 0.000 0.946 417 G HN 0.019 nan 8.290 nan 0.000 0.710 418 T N 1.577 116.028 114.554 -0.171 0.000 2.861 418 T HA 0.692 5.042 4.350 -0.001 0.000 0.287 418 T C -1.255 173.146 174.700 -0.498 0.000 1.003 418 T CA -0.359 61.633 62.100 -0.179 0.000 0.977 418 T CB 1.394 70.253 68.868 -0.014 0.000 0.996 418 T HN 0.425 nan 8.240 nan 0.000 0.448 419 Y N 1.960 122.150 120.300 -0.184 0.000 2.338 419 Y HA 0.650 5.200 4.550 -0.001 0.000 0.333 419 Y C -0.536 175.382 175.900 0.029 0.000 0.968 419 Y CA -1.127 56.804 58.100 -0.282 0.000 1.123 419 Y CB 1.505 39.349 38.460 -1.026 0.000 1.165 419 Y HN 0.431 nan 8.280 nan 0.000 0.452 420 L N 5.865 127.430 121.223 0.570 0.000 2.346 420 L HA 0.650 4.990 4.340 -0.001 0.000 0.276 420 L C -1.235 176.103 176.870 0.780 0.000 1.006 420 L CA -1.043 54.092 54.840 0.493 0.000 0.817 420 L CB 0.863 43.064 42.059 0.238 0.000 1.272 420 L HN 0.536 nan 8.230 nan 0.000 0.421 421 Y N 3.036 123.664 120.300 0.546 0.000 2.605 421 Y HA 0.756 5.305 4.550 -0.001 0.000 0.343 421 Y C -1.787 174.405 175.900 0.487 0.000 1.036 421 Y CA -2.045 56.319 58.100 0.441 0.000 1.065 421 Y CB 1.363 40.027 38.460 0.340 0.000 1.288 421 Y HN 0.521 nan 8.280 nan 0.000 0.481 422 F N 3.698 124.001 119.950 0.589 0.000 2.716 422 F HA 0.445 4.971 4.527 -0.001 0.000 0.354 422 F C -1.987 174.135 175.800 0.536 0.000 1.168 422 F CA -1.751 56.520 58.000 0.452 0.000 1.045 422 F CB 0.765 40.018 39.000 0.421 0.000 1.311 422 F HN 0.561 nan 8.300 nan 0.000 0.477 423 F N 7.888 127.928 119.950 0.150 0.000 2.438 423 F HA 0.290 4.816 4.527 -0.001 0.000 0.360 423 F C 0.330 176.002 175.800 -0.214 0.000 1.118 423 F CA -0.265 57.757 58.000 0.037 0.000 1.164 423 F CB 0.477 39.559 39.000 0.136 0.000 1.131 423 F HN 0.523 nan 8.300 nan 0.000 0.527 424 N N 3.388 121.756 118.700 -0.553 0.000 2.433 424 N HA 0.078 4.818 4.740 -0.001 0.000 0.270 424 N C -1.120 174.155 175.510 -0.392 0.000 1.354 424 N CA -0.470 52.339 53.050 -0.401 0.000 0.889 424 N CB -0.586 37.846 38.487 -0.093 0.000 1.285 424 N HN 0.605 nan 8.380 nan 0.000 0.503 425 H N 0.487 119.019 119.070 -0.896 0.000 2.504 425 H HA 0.435 4.990 4.556 -0.001 0.000 0.322 425 H C -0.538 174.608 175.328 -0.303 0.000 1.055 425 H CA -0.663 55.042 56.048 -0.571 0.000 1.231 425 H CB 1.040 30.397 29.762 -0.675 0.000 1.417 425 H HN 0.096 nan 8.280 nan 0.000 0.472 426 R N 4.134 124.209 120.500 -0.710 0.000 2.221 426 R HA 0.519 4.859 4.340 -0.001 0.000 0.327 426 R C -0.532 175.466 176.300 -0.504 0.000 1.033 426 R CA -0.615 55.253 56.100 -0.386 0.000 0.887 426 R CB 0.393 30.570 30.300 -0.205 0.000 1.057 426 R HN 0.815 nan 8.270 nan 0.000 0.455 427 A N 2.964 125.788 122.820 0.007 0.000 2.565 427 A HA -0.007 4.313 4.320 -0.001 0.000 0.237 427 A C 1.311 178.966 177.584 0.119 0.000 1.053 427 A CA 0.525 52.750 52.037 0.313 0.000 0.755 427 A CB 0.311 19.633 19.000 0.538 0.000 0.980 427 A HN 1.016 nan 8.150 nan 0.000 0.506 428 S N 1.479 117.286 115.700 0.178 0.000 2.423 428 S HA -0.166 4.304 4.470 -0.001 0.000 0.231 428 S C 0.907 175.490 174.600 -0.028 0.000 1.014 428 S CA 1.138 59.378 58.200 0.066 0.000 0.965 428 S CB -0.446 62.817 63.200 0.104 0.000 0.785 428 S HN 0.929 nan 8.310 nan 0.000 0.495 429 N N 0.902 119.541 118.700 -0.101 0.000 2.251 429 N HA 0.235 4.974 4.740 -0.001 0.000 0.217 429 N C -0.142 175.284 175.510 -0.139 0.000 1.124 429 N CA -0.322 52.619 53.050 -0.182 0.000 0.843 429 N CB -0.587 37.675 38.487 -0.375 0.000 1.024 429 N HN 0.392 nan 8.380 nan 0.000 0.501 430 L N 1.164 122.346 121.223 -0.069 0.000 2.490 430 L HA 0.015 4.354 4.340 -0.001 0.000 0.274 430 L C 1.448 178.253 176.870 -0.108 0.000 1.201 430 L CA -0.341 54.459 54.840 -0.065 0.000 0.869 430 L CB 1.065 43.095 42.059 -0.047 0.000 1.123 430 L HN 0.124 nan 8.230 nan 0.000 0.484 431 V N -0.548 119.249 119.914 -0.195 0.000 3.354 431 V HA 0.030 4.150 4.120 -0.001 0.000 0.258 431 V C 0.568 176.566 176.094 -0.160 0.000 1.159 431 V CA -0.435 61.719 62.300 -0.243 0.000 1.125 431 V CB -0.840 30.700 31.823 -0.472 0.000 0.774 431 V HN 0.591 nan 8.190 nan 0.000 0.464 432 W N 2.119 123.372 121.300 -0.078 0.000 2.150 432 W HA 0.471 5.131 4.660 -0.001 0.000 0.341 432 W C -1.591 174.801 176.519 -0.213 0.000 1.276 432 W CA -1.915 55.355 57.345 -0.125 0.000 1.238 432 W CB -0.228 29.056 29.460 -0.293 0.000 1.128 432 W HN 0.015 nan 8.180 nan 0.000 0.581 433 P HA -0.077 nan 4.420 nan 0.000 0.271 433 P C 0.362 177.544 177.300 -0.196 0.000 1.233 433 P CA 0.326 63.351 63.100 -0.125 0.000 0.789 433 P CB 0.929 32.546 31.700 -0.137 0.000 0.951 434 E N 0.904 121.064 120.200 -0.066 0.000 2.077 434 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 434 E C 1.935 178.538 176.600 0.004 0.000 0.989 434 E CA 1.376 57.765 56.400 -0.019 0.000 0.800 434 E CB -0.662 29.069 29.700 0.052 0.000 0.746 434 E HN 0.714 nan 8.360 nan 0.000 0.452 435 W N 0.426 121.760 121.300 0.057 0.000 2.387 435 W HA -0.095 4.564 4.660 -0.001 0.000 0.272 435 W C 1.455 178.028 176.519 0.089 0.000 1.224 435 W CA 0.510 57.900 57.345 0.075 0.000 1.210 435 W CB -0.866 28.644 29.460 0.083 0.000 1.125 435 W HN -0.006 nan 8.180 nan 0.000 0.572 436 M N 1.230 120.485 119.600 -0.576 0.000 2.492 436 M HA 0.125 4.605 4.480 -0.001 0.000 0.262 436 M C 1.787 177.988 176.300 -0.164 0.000 1.090 436 M CA 1.525 56.494 55.300 -0.553 0.000 1.110 436 M CB -0.684 31.392 32.600 -0.873 0.000 1.407 436 M HN 0.156 nan 8.290 nan 0.000 0.470 437 G N 0.559 109.307 108.800 -0.088 0.000 2.574 437 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.286 437 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.286 437 G C -0.158 174.730 174.900 -0.021 0.000 1.212 437 G CA -0.222 44.869 45.100 -0.015 0.000 0.979 437 G HN 0.203 nan 8.290 nan 0.000 0.557 438 V N 2.107 122.040 119.914 0.031 0.000 2.287 438 V HA 0.329 4.448 4.120 -0.001 0.000 0.246 438 V C 1.186 177.379 176.094 0.165 0.000 1.165 438 V CA 0.044 62.398 62.300 0.089 0.000 1.088 438 V CB -0.324 31.532 31.823 0.056 0.000 1.242 438 V HN 0.509 nan 8.190 nan 0.000 0.497 439 I N 3.012 123.670 120.570 0.147 0.000 2.752 439 I HA 0.056 4.225 4.170 -0.001 0.000 0.287 439 I C 1.003 177.370 176.117 0.416 0.000 1.188 439 I CA -0.312 61.113 61.300 0.210 0.000 1.427 439 I CB 0.118 38.120 38.000 0.003 0.000 1.365 439 I HN 0.568 nan 8.210 nan 0.000 0.585 440 H N 4.744 123.970 119.070 0.261 0.000 3.167 440 H HA 0.108 4.664 4.556 -0.001 0.000 0.306 440 H C 1.062 176.461 175.328 0.118 0.000 0.965 440 H CA 1.039 57.196 56.048 0.183 0.000 1.408 440 H CB 0.169 30.006 29.762 0.126 0.000 1.406 440 H HN 0.769 nan 8.280 nan 0.000 0.576 441 G N 3.655 112.301 108.800 -0.256 0.000 2.199 441 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.254 441 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.254 441 G C 0.593 175.461 174.900 -0.052 0.000 0.982 441 G CA 0.487 45.411 45.100 -0.293 0.000 0.632 441 G HN 0.651 nan 8.290 nan 0.000 0.529 442 Y N 1.379 121.803 120.300 0.207 0.000 2.470 442 Y HA 0.249 4.798 4.550 -0.001 0.000 0.302 442 Y C 2.253 178.304 175.900 0.252 0.000 1.194 442 Y CA 0.925 59.218 58.100 0.322 0.000 1.271 442 Y CB 0.416 39.104 38.460 0.380 0.000 1.092 442 Y HN 0.521 nan 8.280 nan 0.000 0.513 443 E N -0.267 119.943 120.200 0.017 0.000 2.415 443 E HA -0.029 4.321 4.350 -0.001 0.000 0.197 443 E C 1.619 178.155 176.600 -0.106 0.000 1.007 443 E CA 0.495 56.591 56.400 -0.507 0.000 0.890 443 E CB -0.382 28.685 29.700 -1.055 0.000 0.891 443 E HN 0.514 nan 8.360 nan 0.000 0.496 444 I N 2.753 123.361 120.570 0.063 0.000 2.163 444 I HA -0.316 3.853 4.170 -0.001 0.000 0.243 444 I C 2.646 178.833 176.117 0.115 0.000 1.085 444 I CA 2.185 63.574 61.300 0.148 0.000 1.347 444 I CB -0.448 37.685 38.000 0.222 0.000 1.044 444 I HN 0.224 nan 8.210 nan 0.000 0.408 445 E N 0.896 121.126 120.200 0.050 0.000 2.209 445 E HA -0.244 4.106 4.350 -0.001 0.000 0.196 445 E C 2.027 178.492 176.600 -0.224 0.000 0.993 445 E CA 1.532 57.877 56.400 -0.092 0.000 0.819 445 E CB -0.541 29.096 29.700 -0.104 0.000 0.745 445 E HN 0.438 nan 8.360 nan 0.000 0.477 446 F N 1.074 120.937 119.950 -0.145 0.000 2.293 446 F HA -0.022 4.505 4.527 -0.001 0.000 0.297 446 F C 2.326 177.959 175.800 -0.279 0.000 1.089 446 F CA 0.517 58.388 58.000 -0.214 0.000 1.377 446 F CB -0.093 38.815 39.000 -0.153 0.000 1.051 446 F HN -0.128 nan 8.300 nan 0.000 0.511 447 V N -1.158 118.680 119.914 -0.126 0.000 2.453 447 V HA -0.246 3.874 4.120 -0.001 0.000 0.247 447 V C 1.636 177.561 176.094 -0.281 0.000 1.048 447 V CA 1.519 63.616 62.300 -0.339 0.000 1.049 447 V CB -0.623 31.018 31.823 -0.304 0.000 0.672 447 V HN 0.189 nan 8.190 nan 0.000 0.457 448 F N 0.615 120.446 119.950 -0.199 0.000 2.773 448 F HA 0.404 4.931 4.527 -0.001 0.000 0.304 448 F C 1.817 177.533 175.800 -0.139 0.000 1.129 448 F CA 0.592 58.500 58.000 -0.153 0.000 1.378 448 F CB -0.339 38.553 39.000 -0.179 0.000 1.095 448 F HN 0.264 nan 8.300 nan 0.000 0.565 449 G N 0.304 109.034 108.800 -0.118 0.000 2.198 449 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.260 449 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.260 449 G C 1.107 175.711 174.900 -0.493 0.000 1.025 449 G CA 0.362 45.310 45.100 -0.252 0.000 0.769 449 G HN 0.253 nan 8.290 nan 0.000 0.507 450 L N -0.286 120.625 121.223 -0.521 0.000 2.127 450 L HA -0.049 4.290 4.340 -0.001 0.000 0.211 450 L C 0.298 176.755 176.870 -0.689 0.000 1.089 450 L CA 2.449 56.923 54.840 -0.610 0.000 0.757 450 L CB -1.970 39.865 42.059 -0.374 0.000 0.899 450 L HN 0.205 nan 8.230 nan 0.000 0.434 451 P HA -0.106 nan 4.420 nan 0.000 0.228 451 P C 1.899 178.949 177.300 -0.417 0.000 1.151 451 P CA 0.832 63.341 63.100 -0.985 0.000 0.770 451 P CB 0.053 31.081 31.700 -1.120 0.000 0.786 452 L N -1.397 119.588 121.223 -0.397 0.000 2.478 452 L HA 0.014 4.354 4.340 -0.001 0.000 0.223 452 L C 0.972 177.720 176.870 -0.204 0.000 1.140 452 L CA 0.296 54.988 54.840 -0.247 0.000 0.842 452 L CB -0.637 41.297 42.059 -0.208 0.000 0.953 452 L HN -0.069 nan 8.230 nan 0.000 0.452 453 V N -2.230 117.528 119.914 -0.261 0.000 2.334 453 V HA 0.221 4.340 4.120 -0.001 0.000 0.267 453 V C 1.341 177.396 176.094 -0.064 0.000 1.040 453 V CA -0.896 61.310 62.300 -0.157 0.000 0.866 453 V CB 1.057 32.762 31.823 -0.196 0.000 1.019 453 V HN 0.127 nan 8.190 nan 0.000 0.468 454 K N 4.167 124.544 120.400 -0.039 0.000 2.077 454 K HA -0.219 4.101 4.320 -0.001 0.000 0.213 454 K C 1.775 178.367 176.600 -0.013 0.000 1.051 454 K CA 2.189 58.467 56.287 -0.015 0.000 0.929 454 K CB -0.408 32.083 32.500 -0.016 0.000 0.715 454 K HN 0.961 nan 8.250 nan 0.000 0.451 455 E N 1.225 121.411 120.200 -0.023 0.000 2.396 455 E HA -0.149 4.201 4.350 -0.001 0.000 0.200 455 E C 1.914 178.489 176.600 -0.042 0.000 1.023 455 E CA 0.717 57.098 56.400 -0.031 0.000 0.857 455 E CB -0.540 29.142 29.700 -0.030 0.000 0.775 455 E HN 0.391 nan 8.360 nan 0.000 0.525 456 L N 0.354 121.562 121.223 -0.025 0.000 2.558 456 L HA 0.051 4.391 4.340 -0.001 0.000 0.225 456 L C -0.162 176.618 176.870 -0.151 0.000 1.128 456 L CA 0.005 54.816 54.840 -0.050 0.000 0.868 456 L CB -0.399 41.697 42.059 0.062 0.000 1.006 456 L HN -0.014 nan 8.230 nan 0.000 0.454 457 N N -1.273 117.375 118.700 -0.086 0.000 2.816 457 N HA -0.202 4.538 4.740 -0.001 0.000 0.247 457 N C -0.717 174.689 175.510 -0.174 0.000 1.100 457 N CA 0.743 53.718 53.050 -0.124 0.000 0.687 457 N CB -1.816 36.576 38.487 -0.158 0.000 1.003 457 N HN 0.266 nan 8.380 nan 0.000 0.554 458 Y N 0.349 120.613 120.300 -0.060 0.000 2.392 458 Y HA 0.434 4.983 4.550 -0.001 0.000 0.323 458 Y C 1.865 177.759 175.900 -0.009 0.000 1.291 458 Y CA -0.076 58.005 58.100 -0.032 0.000 1.345 458 Y CB 0.606 39.016 38.460 -0.083 0.000 1.320 458 Y HN 0.106 nan 8.280 nan 0.000 0.518 459 T N -2.110 112.567 114.554 0.205 0.000 2.824 459 T HA 0.474 4.824 4.350 -0.001 0.000 0.277 459 T C 1.126 175.884 174.700 0.096 0.000 0.975 459 T CA -0.257 61.915 62.100 0.121 0.000 0.966 459 T CB 1.192 70.132 68.868 0.120 0.000 1.054 459 T HN 0.739 nan 8.240 nan 0.000 0.533 460 A N 0.793 123.646 122.820 0.055 0.000 1.930 460 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 460 A C 2.288 179.886 177.584 0.022 0.000 1.175 460 A CA 1.249 53.303 52.037 0.028 0.000 0.627 460 A CB -0.760 18.250 19.000 0.016 0.000 0.815 460 A HN 0.931 nan 8.150 nan 0.000 0.443 461 E N 0.670 120.887 120.200 0.029 0.000 2.204 461 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 461 E C 1.358 177.962 176.600 0.007 0.000 0.989 461 E CA 1.234 57.636 56.400 0.003 0.000 0.824 461 E CB -0.543 29.151 29.700 -0.009 0.000 0.756 461 E HN 0.797 nan 8.360 nan 0.000 0.477 462 E N 0.929 121.178 120.200 0.081 0.000 2.216 462 E HA -0.105 4.245 4.350 -0.001 0.000 0.192 462 E C 2.022 178.675 176.600 0.089 0.000 0.988 462 E CA 0.556 57.077 56.400 0.202 0.000 0.834 462 E CB 0.058 29.991 29.700 0.389 0.000 0.772 462 E HN 0.380 nan 8.360 nan 0.000 0.479 463 E N 0.916 121.115 120.200 -0.002 0.000 2.072 463 E HA -0.132 4.217 4.350 -0.001 0.000 0.190 463 E C 2.031 178.599 176.600 -0.054 0.000 0.982 463 E CA 0.818 57.170 56.400 -0.079 0.000 0.803 463 E CB 0.014 29.676 29.700 -0.064 0.000 0.755 463 E HN 0.183 nan 8.360 nan 0.000 0.453 464 A N 1.186 123.988 122.820 -0.030 0.000 1.930 464 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 464 A C 2.112 179.670 177.584 -0.043 0.000 1.175 464 A CA 1.105 53.117 52.037 -0.042 0.000 0.627 464 A CB -0.560 18.418 19.000 -0.037 0.000 0.815 464 A HN 0.380 nan 8.150 nan 0.000 0.443 465 L N -0.290 120.928 121.223 -0.008 0.000 2.093 465 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 465 L C 2.529 179.429 176.870 0.050 0.000 1.085 465 L CA 2.523 57.363 54.840 0.000 0.000 0.755 465 L CB -0.820 41.225 42.059 -0.023 0.000 0.904 465 L HN 0.325 nan 8.230 nan 0.000 0.435 466 S N -0.753 115.015 115.700 0.114 0.000 2.368 466 S HA -0.184 4.286 4.470 -0.001 0.000 0.225 466 S C 2.187 176.742 174.600 -0.075 0.000 1.030 466 S CA 1.265 59.488 58.200 0.038 0.000 0.999 466 S CB -0.190 62.932 63.200 -0.131 0.000 0.844 466 S HN 0.534 nan 8.310 nan 0.000 0.459 467 R N 0.294 120.744 120.500 -0.085 0.000 2.081 467 R HA 0.047 4.386 4.340 -0.001 0.000 0.235 467 R C 2.732 178.963 176.300 -0.115 0.000 1.131 467 R CA 1.441 57.484 56.100 -0.094 0.000 0.960 467 R CB -0.245 29.997 30.300 -0.096 0.000 0.856 467 R HN 0.377 nan 8.270 nan 0.000 0.436 468 R N 0.395 120.795 120.500 -0.165 0.000 2.083 468 R HA -0.109 4.230 4.340 -0.001 0.000 0.237 468 R C 2.311 178.364 176.300 -0.411 0.000 1.137 468 R CA 1.517 57.416 56.100 -0.335 0.000 0.951 468 R CB -0.402 29.693 30.300 -0.342 0.000 0.851 468 R HN 0.219 nan 8.270 nan 0.000 0.434 469 I N 0.501 120.946 120.570 -0.209 0.000 2.179 469 I HA -0.308 3.862 4.170 -0.001 0.000 0.242 469 I C 2.481 178.512 176.117 -0.143 0.000 1.088 469 I CA 1.424 62.629 61.300 -0.159 0.000 1.357 469 I CB -0.188 37.607 38.000 -0.342 0.000 1.051 469 I HN 0.210 nan 8.210 nan 0.000 0.409 470 M N -0.599 118.908 119.600 -0.154 0.000 2.149 470 M HA -0.272 4.208 4.480 -0.001 0.000 0.261 470 M C 2.375 178.721 176.300 0.075 0.000 1.064 470 M CA 1.783 57.033 55.300 -0.084 0.000 1.102 470 M CB -0.645 31.906 32.600 -0.082 0.000 1.369 470 M HN 0.276 nan 8.290 nan 0.000 0.408 471 H N -0.682 118.370 119.070 -0.030 0.000 2.428 471 H HA -0.110 4.446 4.556 -0.001 0.000 0.296 471 H C 1.484 176.922 175.328 0.183 0.000 1.062 471 H CA 1.686 57.744 56.048 0.017 0.000 1.350 471 H CB 0.134 29.853 29.762 -0.073 0.000 1.403 471 H HN 0.271 nan 8.280 nan 0.000 0.533 472 Y N -0.897 119.553 120.300 0.251 0.000 2.133 472 Y HA -0.209 4.341 4.550 -0.001 0.000 0.287 472 Y C 2.469 178.577 175.900 0.346 0.000 1.134 472 Y CA 0.921 59.220 58.100 0.332 0.000 1.133 472 Y CB -1.082 37.784 38.460 0.678 0.000 0.987 472 Y HN 0.342 nan 8.280 nan 0.000 0.502 473 W N -0.367 121.043 121.300 0.182 0.000 2.335 473 W HA -0.250 4.410 4.660 -0.001 0.000 0.311 473 W C 2.567 179.087 176.519 0.003 0.000 1.213 473 W CA 1.178 58.562 57.345 0.067 0.000 1.274 473 W CB -0.478 28.966 29.460 -0.027 0.000 1.148 473 W HN 0.055 nan 8.180 nan 0.000 0.498 474 A N -0.238 122.689 122.820 0.178 0.000 1.930 474 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 474 A C 1.793 179.350 177.584 -0.045 0.000 1.175 474 A CA 2.051 54.099 52.037 0.020 0.000 0.627 474 A CB -1.091 17.907 19.000 -0.003 0.000 0.815 474 A HN 0.199 nan 8.150 nan 0.000 0.443 475 T N -0.841 113.654 114.554 -0.098 0.000 2.904 475 T HA -0.073 4.276 4.350 -0.001 0.000 0.267 475 T C 1.561 176.215 174.700 -0.076 0.000 1.059 475 T CA 1.392 63.402 62.100 -0.150 0.000 1.137 475 T CB -0.337 68.377 68.868 -0.257 0.000 0.879 475 T HN 0.516 nan 8.240 nan 0.000 0.467 476 F N 2.358 122.205 119.950 -0.171 0.000 2.186 476 F HA 0.126 4.653 4.527 -0.001 0.000 0.299 476 F C 2.374 178.083 175.800 -0.152 0.000 1.090 476 F CA 0.772 58.637 58.000 -0.225 0.000 1.307 476 F CB -0.619 38.184 39.000 -0.328 0.000 1.019 476 F HN 0.128 nan 8.300 nan 0.000 0.489 477 A N 0.567 123.259 122.820 -0.213 0.000 1.933 477 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 477 A C 2.243 179.676 177.584 -0.252 0.000 1.175 477 A CA 1.863 53.738 52.037 -0.270 0.000 0.628 477 A CB -0.582 18.345 19.000 -0.121 0.000 0.814 477 A HN 0.497 nan 8.150 nan 0.000 0.444 478 K N -1.139 119.152 120.400 -0.182 0.000 2.098 478 K HA -0.045 4.274 4.320 -0.001 0.000 0.203 478 K C 1.990 178.499 176.600 -0.151 0.000 1.051 478 K CA 1.665 57.871 56.287 -0.134 0.000 0.957 478 K CB -0.156 32.293 32.500 -0.086 0.000 0.738 478 K HN 0.668 nan 8.250 nan 0.000 0.447 479 T N -3.889 110.558 114.554 -0.179 0.000 2.971 479 T HA 0.231 4.581 4.350 -0.001 0.000 0.252 479 T C 1.334 175.922 174.700 -0.188 0.000 1.022 479 T CA 0.479 62.490 62.100 -0.147 0.000 0.980 479 T CB 0.889 69.701 68.868 -0.094 0.000 1.044 479 T HN 0.310 nan 8.240 nan 0.000 0.501 480 G N 1.452 110.034 108.800 -0.364 0.000 2.141 480 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.231 480 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.231 480 G C -0.197 174.702 174.900 -0.002 0.000 0.984 480 G CA 0.003 44.870 45.100 -0.389 0.000 0.660 480 G HN 0.839 nan 8.290 nan 0.000 0.525 481 N N -0.243 118.427 118.700 -0.050 0.000 2.478 481 N HA 0.429 5.169 4.740 -0.001 0.000 0.291 481 N C -1.649 173.717 175.510 -0.240 0.000 1.090 481 N CA -1.449 51.501 53.050 -0.166 0.000 0.911 481 N CB 2.481 40.943 38.487 -0.042 0.000 1.546 481 N HN -0.064 nan 8.380 nan 0.000 0.500 482 P HA -0.046 nan 4.420 nan 0.000 0.226 482 P C -0.423 176.888 177.300 0.019 0.000 1.153 482 P CA 0.653 63.599 63.100 -0.255 0.000 0.777 482 P CB 0.366 31.684 31.700 -0.636 0.000 0.794 483 N N 1.300 119.977 118.700 -0.038 0.000 2.524 483 N HA 0.106 4.845 4.740 -0.001 0.000 0.283 483 N C 0.284 175.845 175.510 0.085 0.000 1.142 483 N CA -0.186 52.934 53.050 0.117 0.000 0.984 483 N CB 0.971 39.523 38.487 0.109 0.000 1.155 483 N HN 0.041 nan 8.380 nan 0.000 0.467 484 E N 1.789 122.074 120.200 0.142 0.000 2.259 484 E HA 0.114 4.464 4.350 -0.001 0.000 0.281 484 E C -1.360 175.264 176.600 0.040 0.000 1.037 484 E CA -1.541 54.926 56.400 0.112 0.000 0.854 484 E CB 1.010 30.819 29.700 0.181 0.000 1.051 484 E HN 0.317 nan 8.360 nan 0.000 0.409 485 P HA -0.186 nan 4.420 nan 0.000 0.216 485 P C 0.441 177.550 177.300 -0.318 0.000 1.167 485 P CA 1.593 64.555 63.100 -0.230 0.000 0.933 485 P CB 0.164 31.671 31.700 -0.321 0.000 0.793 486 H N -1.967 117.142 119.070 0.064 0.000 2.524 486 H HA 0.328 4.884 4.556 -0.001 0.000 0.297 486 H C 0.549 175.914 175.328 0.061 0.000 1.115 486 H CA -0.212 55.871 56.048 0.057 0.000 1.027 486 H CB -0.135 29.654 29.762 0.045 0.000 1.591 486 H HN 0.097 nan 8.280 nan 0.000 0.543 487 S N 0.421 116.202 115.700 0.135 0.000 2.614 487 S HA 0.053 4.523 4.470 -0.001 0.000 0.265 487 S C 1.216 175.881 174.600 0.108 0.000 1.303 487 S CA -0.298 57.974 58.200 0.121 0.000 1.000 487 S CB 1.262 64.538 63.200 0.128 0.000 0.935 487 S HN 0.300 nan 8.310 nan 0.000 0.551 488 Q N 0.546 120.400 119.800 0.090 0.000 2.281 488 Q HA 0.276 4.615 4.340 -0.001 0.000 0.215 488 Q C -0.084 175.962 176.000 0.077 0.000 0.867 488 Q CA 0.137 55.986 55.803 0.076 0.000 0.940 488 Q CB 0.136 28.909 28.738 0.059 0.000 1.111 488 Q HN 0.646 nan 8.270 nan 0.000 0.513 489 E N 1.196 121.451 120.200 0.091 0.000 2.410 489 E HA 0.125 4.475 4.350 -0.001 0.000 0.255 489 E C -0.076 176.596 176.600 0.120 0.000 1.194 489 E CA -0.000 56.460 56.400 0.100 0.000 0.955 489 E CB 0.502 30.274 29.700 0.120 0.000 0.988 489 E HN -0.081 nan 8.360 nan 0.000 0.461 490 S N 1.433 117.207 115.700 0.123 0.000 2.560 490 S HA 0.074 4.543 4.470 -0.001 0.000 0.284 490 S C 0.263 174.970 174.600 0.177 0.000 1.327 490 S CA -0.279 57.995 58.200 0.123 0.000 1.055 490 S CB 0.424 63.683 63.200 0.099 0.000 0.868 490 S HN 0.149 nan 8.310 nan 0.000 0.506 491 K N 2.038 122.535 120.400 0.160 0.000 2.201 491 K HA 0.141 4.461 4.320 -0.001 0.000 0.278 491 K C -0.477 176.277 176.600 0.257 0.000 1.027 491 K CA -0.448 55.962 56.287 0.206 0.000 0.909 491 K CB 0.700 33.299 32.500 0.166 0.000 1.062 491 K HN 0.699 nan 8.250 nan 0.000 0.465 492 W N 7.492 128.832 121.300 0.066 0.000 2.507 492 W HA 0.147 4.806 4.660 -0.001 0.000 0.334 492 W C -2.199 174.422 176.519 0.170 0.000 1.165 492 W CA -2.523 54.853 57.345 0.052 0.000 1.460 492 W CB -0.259 29.134 29.460 -0.113 0.000 1.404 492 W HN 0.391 nan 8.180 nan 0.000 0.435 493 P HA -0.026 nan 4.420 nan 0.000 0.270 493 P C -0.547 176.967 177.300 0.357 0.000 1.223 493 P CA -0.344 62.967 63.100 0.352 0.000 0.785 493 P CB 1.410 33.239 31.700 0.214 0.000 0.923 494 L N 2.838 124.140 121.223 0.132 0.000 2.380 494 L HA 0.288 4.628 4.340 -0.001 0.000 0.273 494 L C -0.107 176.764 176.870 0.002 0.000 1.138 494 L CA -0.449 54.295 54.840 -0.159 0.000 0.832 494 L CB -0.442 41.516 42.059 -0.168 0.000 1.124 494 L HN 0.208 nan 8.230 nan 0.000 0.454 495 F N 4.578 124.439 119.950 -0.148 0.000 2.445 495 F HA 0.480 5.006 4.527 -0.001 0.000 0.359 495 F C 0.282 176.058 175.800 -0.041 0.000 1.101 495 F CA -0.149 57.845 58.000 -0.009 0.000 1.177 495 F CB 0.502 39.524 39.000 0.037 0.000 1.110 495 F HN 0.653 nan 8.300 nan 0.000 0.522 496 T N 1.201 115.514 114.554 -0.402 0.000 2.924 496 T HA 0.273 4.623 4.350 -0.001 0.000 0.291 496 T C 0.908 175.361 174.700 -0.411 0.000 1.045 496 T CA -0.418 61.531 62.100 -0.251 0.000 1.015 496 T CB 1.497 70.273 68.868 -0.153 0.000 1.103 496 T HN 0.525 nan 8.240 nan 0.000 0.496 497 T N 0.604 115.060 114.554 -0.162 0.000 2.803 497 T HA -0.101 4.249 4.350 -0.001 0.000 0.269 497 T C 1.709 176.318 174.700 -0.151 0.000 1.052 497 T CA 1.618 63.651 62.100 -0.112 0.000 1.136 497 T CB -0.233 68.606 68.868 -0.047 0.000 0.864 497 T HN 0.711 nan 8.240 nan 0.000 0.467 498 K N 0.447 120.758 120.400 -0.148 0.000 2.005 498 K HA -0.060 4.259 4.320 -0.001 0.000 0.206 498 K C 2.212 178.731 176.600 -0.135 0.000 1.044 498 K CA 0.970 57.189 56.287 -0.113 0.000 0.942 498 K CB 0.160 32.611 32.500 -0.081 0.000 0.727 498 K HN 0.125 nan 8.250 nan 0.000 0.439 499 E N 0.665 120.762 120.200 -0.172 0.000 2.170 499 E HA -0.095 4.255 4.350 -0.001 0.000 0.191 499 E C 0.055 176.531 176.600 -0.207 0.000 0.981 499 E CA 0.427 56.739 56.400 -0.145 0.000 0.830 499 E CB 0.002 29.640 29.700 -0.104 0.000 0.775 499 E HN 0.330 nan 8.360 nan 0.000 0.470 500 Q N 0.752 120.253 119.800 -0.498 0.000 2.453 500 Q HA -0.198 4.141 4.340 -0.001 0.000 0.294 500 Q C -0.629 175.300 176.000 -0.118 0.000 1.295 500 Q CA 0.659 55.990 55.803 -0.786 0.000 0.853 500 Q CB -1.643 26.905 28.738 -0.317 0.000 1.193 500 Q HN 0.212 nan 8.270 nan 0.000 0.461 501 K N 0.568 120.943 120.400 -0.041 0.000 2.258 501 K HA 0.533 4.853 4.320 -0.001 0.000 0.264 501 K C 0.023 176.923 176.600 0.501 0.000 1.007 501 K CA 0.196 56.595 56.287 0.188 0.000 0.941 501 K CB 0.434 32.990 32.500 0.094 0.000 0.966 501 K HN 0.227 nan 8.250 nan 0.000 0.480 502 F N -0.067 120.047 119.950 0.274 0.000 2.711 502 F HA 0.598 5.125 4.527 -0.001 0.000 0.313 502 F C -1.146 174.753 175.800 0.165 0.000 1.141 502 F CA -1.498 56.696 58.000 0.323 0.000 0.941 502 F CB 0.778 39.981 39.000 0.339 0.000 1.349 502 F HN 0.425 nan 8.300 nan 0.000 0.464 503 I N -0.726 119.934 120.570 0.150 0.000 2.846 503 I HA 0.648 4.817 4.170 -0.001 0.000 0.307 503 I C -1.180 175.032 176.117 0.157 0.000 1.053 503 I CA -0.824 60.388 61.300 -0.146 0.000 1.050 503 I CB 2.117 39.851 38.000 -0.444 0.000 1.239 503 I HN 0.480 nan 8.210 nan 0.000 0.439 504 D N 2.971 123.435 120.400 0.105 0.000 2.253 504 D HA 0.482 5.122 4.640 -0.001 0.000 0.249 504 D C -1.000 175.378 176.300 0.131 0.000 1.049 504 D CA -0.010 54.169 54.000 0.298 0.000 0.929 504 D CB 2.377 43.357 40.800 0.300 0.000 1.176 504 D HN 0.252 nan 8.370 nan 0.000 0.437 505 L N 2.852 124.165 121.223 0.150 0.000 2.388 505 L HA 0.270 4.610 4.340 -0.001 0.000 0.267 505 L C -0.616 176.185 176.870 -0.116 0.000 0.995 505 L CA -0.355 54.524 54.840 0.064 0.000 0.864 505 L CB 0.209 42.394 42.059 0.209 0.000 1.216 505 L HN 0.480 nan 8.230 nan 0.000 0.430 506 N N -0.562 118.070 118.700 -0.113 0.000 3.449 506 N HA 0.343 5.082 4.740 -0.001 0.000 0.312 506 N C 0.257 175.659 175.510 -0.180 0.000 1.582 506 N CA -0.088 52.840 53.050 -0.204 0.000 0.850 506 N CB 0.457 38.881 38.487 -0.105 0.000 1.822 506 N HN 0.049 nan 8.380 nan 0.000 0.577 507 T N -3.604 110.820 114.554 -0.216 0.000 3.144 507 T HA 0.263 4.612 4.350 -0.001 0.000 0.249 507 T C -0.159 174.503 174.700 -0.063 0.000 1.089 507 T CA 0.102 62.106 62.100 -0.159 0.000 0.989 507 T CB -0.564 68.180 68.868 -0.207 0.000 0.992 507 T HN 0.471 nan 8.240 nan 0.000 0.540 508 E N 1.796 121.976 120.200 -0.035 0.000 2.254 508 E HA 0.402 4.752 4.350 -0.001 0.000 0.261 508 E C -2.647 173.952 176.600 -0.002 0.000 1.051 508 E CA -2.677 53.720 56.400 -0.004 0.000 0.902 508 E CB 0.505 30.215 29.700 0.018 0.000 1.168 508 E HN 0.138 nan 8.360 nan 0.000 0.423 509 P HA -0.059 nan 4.420 nan 0.000 0.267 509 P C -0.437 176.862 177.300 -0.002 0.000 1.209 509 P CA 0.331 63.434 63.100 0.006 0.000 0.763 509 P CB 0.315 32.019 31.700 0.007 0.000 0.816 510 M N 3.784 123.385 119.600 0.002 0.000 2.226 510 M HA -0.106 4.374 4.480 -0.001 0.000 0.377 510 M C -0.423 175.835 176.300 -0.072 0.000 1.309 510 M CA 1.336 56.622 55.300 -0.023 0.000 0.874 510 M CB -0.078 32.526 32.600 0.005 0.000 1.902 510 M HN 0.241 nan 8.290 nan 0.000 0.485 511 K N 4.386 124.701 120.400 -0.142 0.000 2.397 511 K HA 0.541 4.861 4.320 -0.001 0.000 0.253 511 K C -1.416 174.866 176.600 -0.529 0.000 0.932 511 K CA -0.900 55.219 56.287 -0.280 0.000 0.795 511 K CB 2.425 34.778 32.500 -0.244 0.000 1.159 511 K HN 0.479 nan 8.250 nan 0.000 0.424 512 V N 4.070 123.674 119.914 -0.516 0.000 2.539 512 V HA 0.320 4.439 4.120 -0.001 0.000 0.292 512 V C -0.029 175.600 176.094 -0.776 0.000 1.045 512 V CA -0.452 61.530 62.300 -0.530 0.000 0.945 512 V CB 1.084 32.770 31.823 -0.229 0.000 0.993 512 V HN 0.723 nan 8.190 nan 0.000 0.464 513 H N 2.760 121.487 119.070 -0.572 0.000 2.949 513 H HA 0.672 5.228 4.556 -0.001 0.000 0.310 513 H C -1.051 174.068 175.328 -0.348 0.000 1.405 513 H CA -0.859 54.847 56.048 -0.569 0.000 1.253 513 H CB 1.979 31.191 29.762 -0.917 0.000 1.932 513 H HN 0.573 nan 8.280 nan 0.000 0.602 514 Q N 0.213 120.100 119.800 0.145 0.000 2.379 514 Q HA 0.379 4.719 4.340 -0.001 0.000 0.278 514 Q C -0.749 175.479 176.000 0.381 0.000 1.068 514 Q CA -0.903 55.068 55.803 0.280 0.000 0.816 514 Q CB 2.991 31.801 28.738 0.120 0.000 1.387 514 Q HN 0.464 nan 8.270 nan 0.000 0.413 515 R N 0.891 121.596 120.500 0.342 0.000 3.079 515 R HA -0.205 4.135 4.340 -0.001 0.000 0.254 515 R C -0.589 175.826 176.300 0.191 0.000 0.900 515 R CA -0.131 56.110 56.100 0.235 0.000 0.641 515 R CB -1.548 28.840 30.300 0.147 0.000 1.307 515 R HN 0.492 nan 8.270 nan 0.000 0.477 516 L N 2.306 123.572 121.223 0.071 0.000 2.660 516 L HA -0.043 4.297 4.340 -0.001 0.000 0.272 516 L C 0.864 177.684 176.870 -0.083 0.000 1.194 516 L CA 0.791 55.477 54.840 -0.258 0.000 0.945 516 L CB -0.126 41.485 42.059 -0.746 0.000 1.212 516 L HN 0.441 nan 8.230 nan 0.000 0.490 517 R N 2.225 122.690 120.500 -0.058 0.000 3.266 517 R HA -0.209 4.130 4.340 -0.001 0.000 0.245 517 R C 1.249 177.603 176.300 0.089 0.000 0.941 517 R CA 0.579 56.695 56.100 0.027 0.000 0.638 517 R CB -1.918 28.417 30.300 0.058 0.000 1.019 517 R HN 0.762 nan 8.270 nan 0.000 0.462 518 V N -2.722 117.243 119.914 0.085 0.000 2.255 518 V HA -0.354 3.766 4.120 -0.001 0.000 0.247 518 V C 2.286 178.449 176.094 0.115 0.000 1.051 518 V CA 2.119 64.483 62.300 0.108 0.000 1.018 518 V CB -0.520 31.359 31.823 0.094 0.000 0.641 518 V HN 0.330 nan 8.190 nan 0.000 0.445 519 Q N -0.219 119.630 119.800 0.081 0.000 2.062 519 Q HA -0.217 4.123 4.340 -0.001 0.000 0.209 519 Q C 2.160 178.223 176.000 0.105 0.000 0.996 519 Q CA 2.473 58.312 55.803 0.059 0.000 0.859 519 Q CB -0.440 28.301 28.738 0.005 0.000 0.920 519 Q HN 0.575 nan 8.270 nan 0.000 0.415 520 M N -1.185 118.505 119.600 0.150 0.000 2.200 520 M HA -0.062 4.417 4.480 -0.001 0.000 0.265 520 M C 2.604 179.198 176.300 0.489 0.000 1.066 520 M CA 1.432 56.916 55.300 0.305 0.000 1.127 520 M CB -1.817 31.027 32.600 0.405 0.000 1.379 520 M HN 0.599 nan 8.290 nan 0.000 0.420 521 C N -0.206 119.310 119.300 0.361 0.000 2.425 521 C HA 0.001 4.461 4.460 -0.001 0.000 0.277 521 C C 2.889 178.058 174.990 0.297 0.000 1.280 521 C CA 1.000 60.226 59.018 0.346 0.000 1.744 521 C CB -1.265 26.616 27.740 0.234 0.000 1.989 521 C HN 0.293 nan 8.230 nan 0.000 0.491 522 V N -0.199 119.855 119.914 0.234 0.000 2.515 522 V HA -0.153 3.967 4.120 -0.001 0.000 0.250 522 V C 2.302 178.515 176.094 0.198 0.000 1.058 522 V CA 2.135 64.547 62.300 0.185 0.000 1.064 522 V CB -0.856 31.049 31.823 0.137 0.000 0.675 522 V HN 0.696 nan 8.190 nan 0.000 0.461 523 F N -0.024 119.967 119.950 0.070 0.000 2.084 523 F HA -0.168 4.359 4.527 -0.001 0.000 0.296 523 F C 1.953 177.739 175.800 -0.022 0.000 1.111 523 F CA 1.662 59.649 58.000 -0.022 0.000 1.224 523 F CB -0.382 38.484 39.000 -0.223 0.000 0.991 523 F HN 0.172 nan 8.300 nan 0.000 0.471 524 W N 0.506 121.897 121.300 0.152 0.000 2.436 524 W HA -0.061 4.599 4.660 -0.001 0.000 0.284 524 W C 1.981 178.476 176.519 -0.039 0.000 1.225 524 W CA 0.725 58.090 57.345 0.033 0.000 1.271 524 W CB -0.387 29.211 29.460 0.229 0.000 1.114 524 W HN -0.023 nan 8.180 nan 0.000 0.559 525 N N -0.824 117.990 118.700 0.189 0.000 2.388 525 N HA 0.003 4.743 4.740 -0.001 0.000 0.176 525 N C 1.378 176.886 175.510 -0.004 0.000 1.062 525 N CA 0.812 53.886 53.050 0.041 0.000 0.895 525 N CB 0.021 38.543 38.487 0.058 0.000 1.018 525 N HN 0.362 nan 8.380 nan 0.000 0.456 526 Q N -0.962 118.858 119.800 0.033 0.000 2.606 526 Q HA 0.195 4.534 4.340 -0.001 0.000 0.215 526 Q C 1.262 177.263 176.000 0.002 0.000 0.908 526 Q CA -0.094 55.729 55.803 0.034 0.000 0.908 526 Q CB 0.074 28.866 28.738 0.090 0.000 1.120 526 Q HN 0.096 nan 8.270 nan 0.000 0.628 527 F N 1.965 121.823 119.950 -0.154 0.000 2.039 527 F HA -0.196 4.330 4.527 -0.001 0.000 0.294 527 F C 2.025 177.632 175.800 -0.322 0.000 1.130 527 F CA 1.085 58.959 58.000 -0.211 0.000 1.189 527 F CB -0.376 38.510 39.000 -0.189 0.000 0.983 527 F HN 0.042 nan 8.300 nan 0.000 0.471 528 L N 1.158 121.980 121.223 -0.668 0.000 2.013 528 L HA -0.119 4.220 4.340 -0.001 0.000 0.212 528 L C -0.825 175.773 176.870 -0.453 0.000 1.073 528 L CA 2.279 56.675 54.840 -0.740 0.000 0.753 528 L CB -2.003 39.535 42.059 -0.868 0.000 0.890 528 L HN 0.020 nan 8.230 nan 0.000 0.432 529 P HA -0.212 nan 4.420 nan 0.000 0.215 529 P C 1.491 178.668 177.300 -0.204 0.000 1.153 529 P CA 1.653 64.652 63.100 -0.169 0.000 0.853 529 P CB -0.056 31.580 31.700 -0.107 0.000 0.788 530 K N -0.116 120.129 120.400 -0.259 0.000 2.057 530 K HA -0.142 4.178 4.320 -0.001 0.000 0.207 530 K C 2.029 178.446 176.600 -0.305 0.000 1.049 530 K CA 1.069 57.212 56.287 -0.240 0.000 0.931 530 K CB -0.813 31.555 32.500 -0.220 0.000 0.714 530 K HN 0.047 nan 8.250 nan 0.000 0.440 531 L N 0.906 121.828 121.223 -0.501 0.000 2.017 531 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 531 L C 2.066 178.779 176.870 -0.262 0.000 1.073 531 L CA 1.302 55.870 54.840 -0.453 0.000 0.745 531 L CB -0.192 41.465 42.059 -0.670 0.000 0.894 531 L HN 0.250 nan 8.230 nan 0.000 0.432 532 L N 0.004 121.084 121.223 -0.238 0.000 2.191 532 L HA -0.226 4.113 4.340 -0.001 0.000 0.212 532 L C 2.364 179.172 176.870 -0.104 0.000 1.103 532 L CA 1.486 56.235 54.840 -0.151 0.000 0.769 532 L CB -0.785 41.200 42.059 -0.123 0.000 0.908 532 L HN 0.507 nan 8.230 nan 0.000 0.438 533 N N 0.155 118.789 118.700 -0.109 0.000 2.376 533 N HA -0.074 4.665 4.740 -0.001 0.000 0.177 533 N C 1.734 177.202 175.510 -0.070 0.000 1.024 533 N CA 0.906 53.910 53.050 -0.075 0.000 0.893 533 N CB 0.339 38.784 38.487 -0.071 0.000 0.980 533 N HN 0.292 nan 8.380 nan 0.000 0.439 534 A N 0.224 122.990 122.820 -0.090 0.000 2.030 534 A HA 0.072 4.392 4.320 -0.001 0.000 0.215 534 A C 1.307 178.854 177.584 -0.061 0.000 1.164 534 A CA 0.958 52.952 52.037 -0.071 0.000 0.697 534 A CB -0.265 18.687 19.000 -0.081 0.000 0.827 534 A HN 0.479 nan 8.150 nan 0.000 0.457 535 T N 0.000 114.510 114.554 -0.073 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.065 62.100 -0.058 0.000 1.349 535 T CB 0.000 68.829 68.868 -0.065 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658