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 3gel_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 VTIFGEXAGG 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 EXXXXXSKWP 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 0.000 174.653 174.600 0.088 0.000 1.055 4 S CA 0.000 58.235 58.200 0.058 0.000 1.107 4 S CB 0.000 63.233 63.200 0.055 0.000 0.593 5 E N 2.433 122.689 120.200 0.094 0.000 2.171 5 E HA -0.089 4.260 4.350 -0.002 0.000 0.197 5 E C 1.111 177.844 176.600 0.223 0.000 0.997 5 E CA 1.684 58.167 56.400 0.139 0.000 0.810 5 E CB -0.135 29.634 29.700 0.114 0.000 0.738 5 E HN 0.727 nan 8.360 nan 0.000 0.467 6 L N 0.633 121.955 121.223 0.164 0.000 2.592 6 L HA 0.186 4.525 4.340 -0.002 0.000 0.227 6 L C 0.109 177.165 176.870 0.309 0.000 1.127 6 L CA -0.427 54.512 54.840 0.165 0.000 0.884 6 L CB 0.311 42.362 42.059 -0.013 0.000 1.065 6 L HN 0.102 nan 8.230 nan 0.000 0.457 7 L N 0.758 122.137 121.223 0.260 0.000 2.313 7 L HA 0.572 4.911 4.340 -0.002 0.000 0.283 7 L C -0.680 176.283 176.870 0.154 0.000 1.013 7 L CA -0.324 54.653 54.840 0.229 0.000 0.816 7 L CB 1.738 43.875 42.059 0.130 0.000 1.236 7 L HN -0.299 nan 8.230 nan 0.000 0.419 8 V N 4.513 124.490 119.914 0.105 0.000 2.577 8 V HA 0.470 4.588 4.120 -0.002 0.000 0.303 8 V C -0.520 175.489 176.094 -0.142 0.000 1.042 8 V CA -0.824 61.363 62.300 -0.189 0.000 0.872 8 V CB 1.789 33.155 31.823 -0.761 0.000 0.998 8 V HN 0.728 nan 8.190 nan 0.000 0.423 9 N N 3.274 121.833 118.700 -0.234 0.000 2.426 9 N HA 0.448 5.187 4.740 -0.002 0.000 0.257 9 N C -0.050 175.129 175.510 -0.550 0.000 1.002 9 N CA 0.025 52.905 53.050 -0.283 0.000 0.942 9 N CB 1.653 39.972 38.487 -0.279 0.000 1.112 9 N HN 0.948 nan 8.380 nan 0.000 0.499 10 T N -0.040 114.277 114.554 -0.394 0.000 2.870 10 T HA 0.409 4.757 4.350 -0.002 0.000 0.277 10 T C 1.088 175.523 174.700 -0.442 0.000 1.000 10 T CA -0.536 61.298 62.100 -0.445 0.000 0.982 10 T CB 1.236 70.113 68.868 0.015 0.000 1.249 10 T HN 0.329 nan 8.240 nan 0.000 0.589 11 K N 0.123 120.324 120.400 -0.331 0.000 2.365 11 K HA 0.080 4.399 4.320 -0.002 0.000 0.199 11 K C 1.977 178.421 176.600 -0.260 0.000 1.045 11 K CA 0.685 56.819 56.287 -0.256 0.000 0.962 11 K CB -0.017 32.393 32.500 -0.150 0.000 0.759 11 K HN 0.423 nan 8.250 nan 0.000 0.469 12 S N 0.016 115.545 115.700 -0.285 0.000 2.548 12 S HA 0.175 4.643 4.470 -0.002 0.000 0.215 12 S C 0.578 174.428 174.600 -1.251 0.000 0.976 12 S CA 0.262 58.145 58.200 -0.527 0.000 0.908 12 S CB 0.802 63.875 63.200 -0.212 0.000 0.781 12 S HN 0.546 nan 8.310 nan 0.000 0.519 13 G N 1.261 109.554 108.800 -0.846 0.000 2.353 13 G HA2 0.066 4.025 3.960 -0.002 0.000 0.424 13 G HA3 0.066 4.025 3.960 -0.002 0.000 0.424 13 G C -1.697 173.115 174.900 -0.148 0.000 1.320 13 G CA -1.181 43.441 45.100 -0.796 0.000 0.995 13 G HN 0.116 nan 8.290 nan 0.000 0.580 14 K N -0.854 119.648 120.400 0.170 0.000 2.098 14 K HA 0.710 5.028 4.320 -0.002 0.000 0.257 14 K C -0.578 176.392 176.600 0.616 0.000 0.999 14 K CA -0.661 55.806 56.287 0.299 0.000 0.924 14 K CB 2.101 34.727 32.500 0.210 0.000 1.028 14 K HN 0.411 nan 8.250 nan 0.000 0.466 15 V N 2.224 122.433 119.914 0.491 0.000 2.808 15 V HA 0.291 4.409 4.120 -0.002 0.000 0.308 15 V C -1.244 175.154 176.094 0.506 0.000 1.099 15 V CA -0.898 61.756 62.300 0.591 0.000 0.920 15 V CB 1.970 34.200 31.823 0.678 0.000 1.014 15 V HN 0.739 nan 8.190 nan 0.000 0.425 16 M N 3.817 123.675 119.600 0.430 0.000 2.125 16 M HA 0.769 5.248 4.480 -0.002 0.000 0.321 16 M C 0.239 176.649 176.300 0.183 0.000 0.983 16 M CA 0.152 55.625 55.300 0.287 0.000 0.934 16 M CB 1.224 33.915 32.600 0.151 0.000 1.542 16 M HN 0.751 nan 8.290 nan 0.000 0.424 17 G N 1.571 110.344 108.800 -0.046 0.000 2.531 17 G HA2 0.609 4.567 3.960 -0.002 0.000 0.253 17 G HA3 0.609 4.567 3.960 -0.002 0.000 0.253 17 G C -1.054 173.635 174.900 -0.351 0.000 1.439 17 G CA -0.341 44.389 45.100 -0.615 0.000 1.056 17 G HN 0.666 nan 8.290 nan 0.000 0.555 18 T N -1.476 112.837 114.554 -0.402 0.000 2.982 18 T HA 0.474 4.823 4.350 -0.002 0.000 0.321 18 T C -0.741 173.853 174.700 -0.177 0.000 1.229 18 T CA -0.677 61.292 62.100 -0.218 0.000 1.044 18 T CB 1.374 70.138 68.868 -0.173 0.000 1.184 18 T HN 0.681 nan 8.240 nan 0.000 0.477 19 R N 3.010 123.456 120.500 -0.089 0.000 2.340 19 R HA 0.677 5.015 4.340 -0.002 0.000 0.300 19 R C -0.494 175.831 176.300 0.041 0.000 1.069 19 R CA -0.465 55.627 56.100 -0.013 0.000 0.984 19 R CB 0.537 30.831 30.300 -0.010 0.000 1.003 19 R HN 0.472 nan 8.270 nan 0.000 0.459 20 V N 2.565 122.527 119.914 0.081 0.000 2.656 20 V HA 0.704 4.823 4.120 -0.002 0.000 0.307 20 V C -2.639 173.450 176.094 -0.007 0.000 1.051 20 V CA -2.693 59.636 62.300 0.047 0.000 0.893 20 V CB 1.802 33.640 31.823 0.026 0.000 0.999 20 V HN 0.827 nan 8.190 nan 0.000 0.426 21 P HA 0.499 nan 4.420 nan 0.000 0.278 21 P C -1.011 176.074 177.300 -0.359 0.000 1.238 21 P CA -0.249 62.568 63.100 -0.472 0.000 0.794 21 P CB 1.671 33.153 31.700 -0.362 0.000 0.955 22 V N 3.640 123.279 119.914 -0.458 0.000 2.737 22 V HA 0.109 4.227 4.120 -0.002 0.000 0.298 22 V C 0.570 176.382 176.094 -0.469 0.000 1.163 22 V CA -0.921 61.118 62.300 -0.435 0.000 0.925 22 V CB 1.363 32.833 31.823 -0.588 0.000 1.037 22 V HN 0.458 nan 8.190 nan 0.000 0.433 23 L N 4.253 125.348 121.223 -0.214 0.000 4.060 23 L HA -0.294 4.045 4.340 -0.002 0.000 0.467 23 L C 1.241 177.998 176.870 -0.189 0.000 1.157 23 L CA 0.949 55.703 54.840 -0.144 0.000 0.719 23 L CB -1.606 40.419 42.059 -0.057 0.000 1.606 23 L HN 1.455 nan 8.230 nan 0.000 0.822 24 S N -3.488 112.097 115.700 -0.192 0.000 3.382 24 S HA -0.244 4.224 4.470 -0.002 0.000 0.293 24 S C 0.230 174.746 174.600 -0.141 0.000 1.262 24 S CA 1.245 59.361 58.200 -0.140 0.000 0.969 24 S CB -1.363 61.806 63.200 -0.051 0.000 1.136 24 S HN 1.028 nan 8.310 nan 0.000 0.635 25 S N -0.571 114.954 115.700 -0.292 0.000 2.911 25 S HA 0.877 5.346 4.470 -0.002 0.000 0.319 25 S C -1.094 173.287 174.600 -0.365 0.000 1.154 25 S CA -0.385 57.717 58.200 -0.164 0.000 0.857 25 S CB 1.289 64.437 63.200 -0.087 0.000 1.279 25 S HN 0.694 nan 8.310 nan 0.000 0.593 26 H N -0.599 118.423 119.070 -0.080 0.000 2.980 26 H HA 0.757 5.312 4.556 -0.002 0.000 0.367 26 H C -0.548 174.806 175.328 0.044 0.000 1.206 26 H CA -0.255 55.767 56.048 -0.043 0.000 1.126 26 H CB 1.518 31.275 29.762 -0.008 0.000 1.838 26 H HN 0.743 nan 8.280 nan 0.000 0.552 27 I N -2.441 118.241 120.570 0.187 0.000 3.352 27 I HA 0.699 4.867 4.170 -0.002 0.000 0.316 27 I C -1.107 175.112 176.117 0.171 0.000 1.214 27 I CA -1.049 60.377 61.300 0.209 0.000 0.934 27 I CB 2.413 40.566 38.000 0.254 0.000 1.310 27 I HN 0.395 nan 8.210 nan 0.000 0.475 28 S N 1.172 116.986 115.700 0.189 0.000 2.525 28 S HA 0.849 5.318 4.470 -0.002 0.000 0.290 28 S C -0.344 174.275 174.600 0.033 0.000 1.152 28 S CA -0.560 57.680 58.200 0.068 0.000 1.072 28 S CB 1.574 64.858 63.200 0.141 0.000 1.027 28 S HN 0.881 nan 8.310 nan 0.000 0.500 29 A N 2.108 124.781 122.820 -0.245 0.000 2.343 29 A HA 0.777 5.096 4.320 -0.002 0.000 0.308 29 A C -1.325 175.936 177.584 -0.539 0.000 1.092 29 A CA -0.633 51.183 52.037 -0.369 0.000 0.751 29 A CB 0.378 19.161 19.000 -0.362 0.000 1.203 29 A HN 0.651 nan 8.150 nan 0.000 0.452 30 F N 2.902 122.709 119.950 -0.239 0.000 2.366 30 F HA 0.485 5.011 4.527 -0.002 0.000 0.366 30 F C -0.156 175.519 175.800 -0.208 0.000 1.096 30 F CA -0.374 57.567 58.000 -0.100 0.000 1.060 30 F CB 1.217 40.255 39.000 0.063 0.000 1.282 30 F HN 0.350 nan 8.300 nan 0.000 0.450 31 L N 2.164 123.343 121.223 -0.074 0.000 2.325 31 L HA 0.726 5.065 4.340 -0.002 0.000 0.278 31 L C 0.909 177.805 176.870 0.044 0.000 1.023 31 L CA -0.979 53.801 54.840 -0.100 0.000 0.811 31 L CB 1.670 43.584 42.059 -0.242 0.000 1.249 31 L HN 0.815 nan 8.230 nan 0.000 0.431 32 G N 2.605 111.456 108.800 0.084 0.000 2.212 32 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.255 32 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.255 32 G C -0.145 174.837 174.900 0.137 0.000 1.062 32 G CA -0.624 44.525 45.100 0.082 0.000 0.815 32 G HN 0.312 nan 8.290 nan 0.000 0.497 33 I N 1.722 122.299 120.570 0.012 0.000 2.471 33 I HA 0.279 4.448 4.170 -0.002 0.000 0.286 33 I C -1.450 174.472 176.117 -0.327 0.000 1.079 33 I CA -3.197 57.934 61.300 -0.282 0.000 1.398 33 I CB 0.376 38.160 38.000 -0.359 0.000 1.403 33 I HN 0.018 nan 8.210 nan 0.000 0.530 34 P HA 0.175 nan 4.420 nan 0.000 0.280 34 P C -0.200 176.722 177.300 -0.629 0.000 1.244 34 P CA -0.083 62.516 63.100 -0.835 0.000 0.784 34 P CB 0.670 31.801 31.700 -0.949 0.000 0.913 35 F N 0.429 120.039 119.950 -0.567 0.000 2.746 35 F HA 0.744 5.270 4.527 -0.002 0.000 0.320 35 F C -0.131 175.568 175.800 -0.168 0.000 1.097 35 F CA -0.975 56.774 58.000 -0.418 0.000 1.195 35 F CB 0.007 38.739 39.000 -0.446 0.000 1.056 35 F HN 0.358 nan 8.300 nan 0.000 0.562 36 A N 0.039 122.535 122.820 -0.541 0.000 2.587 36 A HA 0.614 4.933 4.320 -0.002 0.000 0.293 36 A C -0.811 176.595 177.584 -0.298 0.000 1.087 36 A CA -0.758 51.106 52.037 -0.289 0.000 0.692 36 A CB 1.011 19.804 19.000 -0.346 0.000 1.291 36 A HN 0.053 nan 8.150 nan 0.000 0.407 37 E N 1.101 121.217 120.200 -0.139 0.000 2.413 37 E HA 0.207 4.556 4.350 -0.002 0.000 0.263 37 E C -2.286 174.219 176.600 -0.157 0.000 1.015 37 E CA -1.229 55.105 56.400 -0.110 0.000 0.916 37 E CB -0.079 29.599 29.700 -0.037 0.000 0.947 37 E HN 0.236 nan 8.360 nan 0.000 0.440 38 P HA 0.002 nan 4.420 nan 0.000 0.260 38 P C -2.244 175.000 177.300 -0.093 0.000 1.185 38 P CA -0.670 62.359 63.100 -0.117 0.000 0.763 38 P CB -0.060 31.610 31.700 -0.050 0.000 0.776 39 P HA -0.011 nan 4.420 nan 0.000 0.249 39 P C -0.233 177.011 177.300 -0.094 0.000 1.686 39 P CA 0.248 63.295 63.100 -0.088 0.000 0.873 39 P CB -0.239 31.409 31.700 -0.088 0.000 1.828 40 V N -3.920 115.947 119.914 -0.078 0.000 3.093 40 V HA 0.921 5.040 4.120 -0.002 0.000 0.320 40 V C 0.928 176.982 176.094 -0.067 0.000 1.093 40 V CA -0.020 62.233 62.300 -0.079 0.000 1.016 40 V CB 0.820 32.605 31.823 -0.062 0.000 1.096 40 V HN 0.510 nan 8.190 nan 0.000 0.452 41 G N 2.316 111.075 108.800 -0.069 0.000 2.574 41 G HA2 -0.368 3.590 3.960 -0.002 0.000 0.286 41 G HA3 -0.368 3.590 3.960 -0.002 0.000 0.286 41 G C 0.487 175.353 174.900 -0.057 0.000 1.212 41 G CA 0.992 46.061 45.100 -0.051 0.000 0.979 41 G HN 1.156 nan 8.290 nan 0.000 0.557 42 N N 0.124 118.811 118.700 -0.021 0.000 2.322 42 N HA -0.049 4.690 4.740 -0.002 0.000 0.189 42 N C 2.254 177.760 175.510 -0.008 0.000 1.012 42 N CA 1.904 54.955 53.050 0.002 0.000 0.880 42 N CB -0.178 38.324 38.487 0.024 0.000 0.967 42 N HN 0.521 nan 8.380 nan 0.000 0.439 43 M N -0.055 119.528 119.600 -0.028 0.000 2.659 43 M HA -0.005 4.474 4.480 -0.002 0.000 0.243 43 M C 0.517 176.771 176.300 -0.076 0.000 1.111 43 M CA 0.069 55.350 55.300 -0.032 0.000 1.070 43 M CB 0.103 32.686 32.600 -0.028 0.000 1.525 43 M HN 0.069 nan 8.290 nan 0.000 0.517 44 R N 0.682 121.082 120.500 -0.166 0.000 2.489 44 R HA -0.031 4.308 4.340 -0.002 0.000 0.287 44 R C -0.350 175.704 176.300 -0.409 0.000 1.053 44 R CA 0.520 56.381 56.100 -0.399 0.000 1.036 44 R CB 0.196 30.134 30.300 -0.603 0.000 0.966 44 R HN 0.258 nan 8.270 nan 0.000 0.432 45 F N -0.655 119.304 119.950 0.014 0.000 2.705 45 F HA -0.296 4.230 4.527 -0.002 0.000 0.413 45 F C 0.571 176.358 175.800 -0.022 0.000 0.588 45 F CA 0.825 58.809 58.000 -0.027 0.000 1.187 45 F CB -1.471 37.498 39.000 -0.052 0.000 1.737 45 F HN 0.622 nan 8.300 nan 0.000 0.285 46 R N 1.339 121.908 120.500 0.114 0.000 2.615 46 R HA 0.455 4.793 4.340 -0.002 0.000 0.270 46 R C 0.709 177.039 176.300 0.049 0.000 1.081 46 R CA -0.793 55.353 56.100 0.075 0.000 1.154 46 R CB 0.517 30.845 30.300 0.046 0.000 1.063 46 R HN 0.129 nan 8.270 nan 0.000 0.519 47 R N 2.241 122.770 120.500 0.049 0.000 2.640 47 R HA 0.034 4.373 4.340 -0.002 0.000 0.270 47 R C -1.807 174.519 176.300 0.043 0.000 1.024 47 R CA -0.865 55.264 56.100 0.047 0.000 1.085 47 R CB -0.158 30.175 30.300 0.056 0.000 0.963 47 R HN 0.442 nan 8.270 nan 0.000 0.426 48 P HA 0.035 nan 4.420 nan 0.000 0.274 48 P C -1.042 176.290 177.300 0.053 0.000 1.256 48 P CA -0.135 62.993 63.100 0.048 0.000 0.795 48 P CB 0.769 32.523 31.700 0.090 0.000 1.038 49 E N 0.815 121.037 120.200 0.036 0.000 2.248 49 E HA 0.391 4.740 4.350 -0.002 0.000 0.267 49 E C -2.446 174.184 176.600 0.051 0.000 0.877 49 E CA -2.969 53.456 56.400 0.041 0.000 0.759 49 E CB 1.851 31.564 29.700 0.021 0.000 1.182 49 E HN 0.280 nan 8.360 nan 0.000 0.418 50 P HA 0.029 nan 4.420 nan 0.000 0.271 50 P C -0.949 176.405 177.300 0.091 0.000 1.218 50 P CA -0.323 62.846 63.100 0.115 0.000 0.780 50 P CB 0.595 32.370 31.700 0.126 0.000 0.901 51 K N 3.421 123.886 120.400 0.109 0.000 2.383 51 K HA 0.058 4.377 4.320 -0.002 0.000 0.286 51 K C 0.114 176.808 176.600 0.156 0.000 1.051 51 K CA 0.004 56.351 56.287 0.100 0.000 0.974 51 K CB -0.043 32.509 32.500 0.086 0.000 0.968 51 K HN 0.144 nan 8.250 nan 0.000 0.475 52 K N 5.834 126.318 120.400 0.140 0.000 2.484 52 K HA 0.072 4.391 4.320 -0.002 0.000 0.280 52 K C -2.266 174.446 176.600 0.187 0.000 1.013 52 K CA -1.593 54.775 56.287 0.135 0.000 1.029 52 K CB -0.222 32.354 32.500 0.127 0.000 0.902 52 K HN 0.559 nan 8.250 nan 0.000 0.481 53 P HA 0.016 nan 4.420 nan 0.000 0.268 53 P C -0.783 176.541 177.300 0.040 0.000 1.208 53 P CA -0.070 62.952 63.100 -0.129 0.000 0.777 53 P CB 0.256 31.844 31.700 -0.187 0.000 0.875 54 W N 0.555 121.933 121.300 0.129 0.000 2.781 54 W HA 0.689 5.348 4.660 -0.002 0.000 0.345 54 W C -0.628 175.967 176.519 0.127 0.000 1.085 54 W CA -0.939 56.500 57.345 0.157 0.000 1.198 54 W CB 0.172 29.796 29.460 0.273 0.000 1.423 54 W HN 0.379 nan 8.180 nan 0.000 0.532 55 S N 1.894 117.754 115.700 0.266 0.000 2.713 55 S HA 0.895 5.364 4.470 -0.002 0.000 0.283 55 S C 0.434 175.221 174.600 0.311 0.000 1.161 55 S CA 0.042 58.348 58.200 0.177 0.000 0.999 55 S CB 0.950 64.217 63.200 0.111 0.000 1.039 55 S HN 2.210 nan 8.310 nan 0.000 0.548 56 G N -0.603 108.331 108.800 0.224 0.000 2.698 56 G HA2 -0.054 3.905 3.960 -0.002 0.000 0.225 56 G HA3 -0.054 3.905 3.960 -0.002 0.000 0.225 56 G C -0.985 174.113 174.900 0.331 0.000 1.345 56 G CA -0.429 44.806 45.100 0.225 0.000 0.871 56 G HN 1.602 nan 8.290 nan 0.000 0.540 57 V N 0.896 120.961 119.914 0.253 0.000 2.357 57 V HA 0.454 4.573 4.120 -0.002 0.000 0.284 57 V C 0.371 176.597 176.094 0.220 0.000 1.018 57 V CA -0.546 61.923 62.300 0.282 0.000 0.841 57 V CB 1.660 33.584 31.823 0.169 0.000 0.991 57 V HN 0.708 nan 8.190 nan 0.000 0.437 58 W N 5.674 127.070 121.300 0.159 0.000 2.303 58 W HA 0.147 4.806 4.660 -0.001 0.000 0.318 58 W C 0.367 176.877 176.519 -0.015 0.000 1.362 58 W CA -0.187 57.080 57.345 -0.129 0.000 1.234 58 W CB 0.704 29.912 29.460 -0.420 0.000 1.248 58 W HN 0.633 nan 8.180 nan 0.000 0.546 59 N N 4.904 123.354 118.700 -0.416 0.000 2.402 59 N HA 0.157 4.895 4.740 -0.002 0.000 0.259 59 N C -0.341 175.171 175.510 0.004 0.000 1.167 59 N CA 0.232 53.173 53.050 -0.181 0.000 0.949 59 N CB 0.862 39.184 38.487 -0.274 0.000 1.212 59 N HN 0.386 nan 8.380 nan 0.000 0.493 60 A N 2.794 125.727 122.820 0.189 0.000 3.003 60 A HA 0.176 4.495 4.320 -0.002 0.000 0.301 60 A C 1.082 178.681 177.584 0.024 0.000 1.280 60 A CA -0.368 51.810 52.037 0.235 0.000 0.973 60 A CB -0.447 18.782 19.000 0.383 0.000 1.110 60 A HN 0.639 nan 8.150 nan 0.000 0.590 61 S N -1.077 114.597 115.700 -0.044 0.000 2.523 61 S HA 0.154 4.623 4.470 -0.002 0.000 0.217 61 S C 0.733 175.246 174.600 -0.145 0.000 0.996 61 S CA 0.559 58.688 58.200 -0.118 0.000 0.921 61 S CB -0.253 62.883 63.200 -0.106 0.000 0.829 61 S HN 0.745 nan 8.310 nan 0.000 0.495 62 T N -0.769 113.718 114.554 -0.112 0.000 2.907 62 T HA 0.635 4.984 4.350 -0.002 0.000 0.292 62 T C -0.803 173.864 174.700 -0.055 0.000 1.043 62 T CA -0.750 61.278 62.100 -0.120 0.000 1.003 62 T CB 0.711 69.530 68.868 -0.082 0.000 1.084 62 T HN 0.060 nan 8.240 nan 0.000 0.483 63 Y N 3.071 123.338 120.300 -0.054 0.000 2.702 63 Y HA 0.279 4.827 4.550 -0.002 0.000 0.336 63 Y C -1.403 174.435 175.900 -0.103 0.000 1.235 63 Y CA -1.268 56.801 58.100 -0.052 0.000 1.492 63 Y CB 0.008 38.457 38.460 -0.017 0.000 1.308 63 Y HN 0.551 nan 8.280 nan 0.000 0.589 64 P HA 0.128 nan 4.420 nan 0.000 0.284 64 P C -0.690 176.542 177.300 -0.112 0.000 1.292 64 P CA -0.620 62.370 63.100 -0.184 0.000 0.800 64 P CB 0.938 32.438 31.700 -0.333 0.000 1.188 65 N N 0.354 118.963 118.700 -0.152 0.000 2.416 65 N HA 0.061 4.800 4.740 -0.002 0.000 0.246 65 N C 0.036 175.523 175.510 -0.039 0.000 1.260 65 N CA 0.384 53.387 53.050 -0.078 0.000 0.897 65 N CB -0.300 38.149 38.487 -0.063 0.000 1.110 65 N HN 0.411 nan 8.380 nan 0.000 0.439 66 N N -0.435 118.228 118.700 -0.060 0.000 2.487 66 N HA 0.276 5.015 4.740 -0.002 0.000 0.292 66 N C -0.281 175.189 175.510 -0.068 0.000 1.108 66 N CA -0.697 52.310 53.050 -0.072 0.000 0.956 66 N CB 0.928 39.346 38.487 -0.116 0.000 1.176 66 N HN 0.411 nan 8.380 nan 0.000 0.484 67 c N 1.205 119.768 118.600 -0.063 0.000 2.727 67 c HA -0.006 4.563 4.570 -0.002 0.000 0.401 67 c C 0.775 174.786 174.090 -0.132 0.000 1.294 67 c CA -0.491 55.782 56.329 -0.093 0.000 2.134 67 c CB -0.229 42.254 42.510 -0.045 0.000 2.724 67 c HN 0.542 nan 8.230 nan 0.000 0.677 68 Q N 2.504 122.147 119.800 -0.262 0.000 2.274 68 Q HA 0.210 4.548 4.340 -0.002 0.000 0.280 68 Q C -0.082 175.894 176.000 -0.040 0.000 1.047 68 Q CA 0.953 56.596 55.803 -0.266 0.000 0.907 68 Q CB 0.434 28.773 28.738 -0.666 0.000 1.171 68 Q HN 0.864 nan 8.270 nan 0.000 0.381 69 Q N 1.540 121.398 119.800 0.097 0.000 2.472 69 Q HA 0.286 4.625 4.340 -0.002 0.000 0.281 69 Q C -1.188 175.007 176.000 0.324 0.000 0.997 69 Q CA -1.010 54.945 55.803 0.254 0.000 0.828 69 Q CB 0.782 29.624 28.738 0.173 0.000 1.443 69 Q HN 0.487 nan 8.270 nan 0.000 0.390 70 Y N 1.260 121.775 120.300 0.358 0.000 2.805 70 Y HA 0.213 4.762 4.550 -0.002 0.000 0.337 70 Y C -0.985 175.106 175.900 0.319 0.000 1.252 70 Y CA 0.621 58.958 58.100 0.395 0.000 1.515 70 Y CB 0.744 39.573 38.460 0.615 0.000 1.305 70 Y HN 0.462 nan 8.280 nan 0.000 0.600 71 V N 6.909 126.563 119.914 -0.432 0.000 2.378 71 V HA 0.116 4.235 4.120 -0.002 0.000 0.288 71 V C -0.583 175.258 176.094 -0.421 0.000 1.016 71 V CA -1.106 61.046 62.300 -0.246 0.000 0.840 71 V CB 1.392 33.136 31.823 -0.131 0.000 0.994 71 V HN 0.766 nan 8.190 nan 0.000 0.431 72 D N 4.064 124.449 120.400 -0.026 0.000 2.382 72 D HA 0.063 4.702 4.640 -0.002 0.000 0.259 72 D C 0.613 176.976 176.300 0.105 0.000 1.224 72 D CA 0.461 54.567 54.000 0.177 0.000 0.894 72 D CB 0.935 41.972 40.800 0.394 0.000 1.127 72 D HN 0.686 nan 8.370 nan 0.000 0.487 73 E N 2.523 122.746 120.200 0.038 0.000 2.624 73 E HA 0.008 4.357 4.350 -0.002 0.000 0.210 73 E C 1.199 177.759 176.600 -0.068 0.000 0.997 73 E CA -0.304 56.099 56.400 0.005 0.000 0.999 73 E CB 0.638 30.313 29.700 -0.041 0.000 1.040 73 E HN 0.415 nan 8.360 nan 0.000 0.469 74 Q N -0.421 119.305 119.800 -0.123 0.000 2.077 74 Q HA -0.118 4.221 4.340 -0.002 0.000 0.206 74 Q C 0.168 175.610 176.000 -0.930 0.000 0.989 74 Q CA 1.320 56.742 55.803 -0.635 0.000 0.853 74 Q CB 0.069 28.208 28.738 -0.998 0.000 0.907 74 Q HN 0.258 nan 8.270 nan 0.000 0.418 75 F N 0.139 120.167 119.950 0.129 0.000 2.471 75 F HA 0.359 4.885 4.527 -0.002 0.000 0.318 75 F C -2.123 173.760 175.800 0.138 0.000 1.308 75 F CA -2.762 55.295 58.000 0.095 0.000 1.162 75 F CB 0.767 39.810 39.000 0.072 0.000 1.383 75 F HN -0.176 nan 8.300 nan 0.000 0.552 76 P HA 0.109 nan 4.420 nan 0.000 0.261 76 P C 1.076 178.458 177.300 0.137 0.000 1.173 76 P CA 1.458 64.626 63.100 0.113 0.000 0.760 76 P CB 0.737 32.467 31.700 0.051 0.000 0.783 77 G N 2.667 111.538 108.800 0.119 0.000 2.304 77 G HA2 -0.309 3.649 3.960 -0.002 0.000 0.252 77 G HA3 -0.309 3.649 3.960 -0.002 0.000 0.252 77 G C 0.121 175.102 174.900 0.137 0.000 1.014 77 G CA -0.270 44.889 45.100 0.098 0.000 0.619 77 G HN 0.544 nan 8.290 nan 0.000 0.525 78 F N 3.136 123.103 119.950 0.027 0.000 2.495 78 F HA 0.516 5.041 4.527 -0.002 0.000 0.365 78 F C 1.661 177.424 175.800 -0.063 0.000 1.090 78 F CA 0.051 58.023 58.000 -0.047 0.000 1.235 78 F CB 1.321 40.297 39.000 -0.040 0.000 1.119 78 F HN 0.249 nan 8.300 nan 0.000 0.562 79 S N 3.027 118.320 115.700 -0.678 0.000 2.436 79 S HA 0.008 4.476 4.470 -0.002 0.000 0.228 79 S C 2.120 176.335 174.600 -0.642 0.000 1.014 79 S CA 0.521 58.405 58.200 -0.527 0.000 0.950 79 S CB -0.933 62.010 63.200 -0.429 0.000 0.784 79 S HN 0.832 nan 8.310 nan 0.000 0.504 80 G N 2.039 109.991 108.800 -1.413 0.000 2.442 80 G HA2 -0.193 3.765 3.960 -0.002 0.000 0.219 80 G HA3 -0.193 3.765 3.960 -0.002 0.000 0.219 80 G C 1.716 176.871 174.900 0.425 0.000 1.141 80 G CA 1.310 45.892 45.100 -0.863 0.000 0.763 80 G HN 0.781 nan 8.290 nan 0.000 0.554 81 S N -0.313 115.656 115.700 0.449 0.000 2.475 81 S HA 0.143 4.612 4.470 -0.002 0.000 0.224 81 S C 1.833 176.749 174.600 0.526 0.000 1.042 81 S CA 0.727 59.479 58.200 0.921 0.000 0.935 81 S CB 0.020 63.897 63.200 1.128 0.000 0.801 81 S HN 0.470 nan 8.310 nan 0.000 0.509 82 E N 1.869 122.205 120.200 0.227 0.000 2.285 82 E HA -0.005 4.344 4.350 -0.002 0.000 0.194 82 E C 2.018 178.586 176.600 -0.052 0.000 0.997 82 E CA 1.053 57.509 56.400 0.093 0.000 0.845 82 E CB -0.386 29.337 29.700 0.038 0.000 0.782 82 E HN 0.820 nan 8.360 nan 0.000 0.491 83 M N -1.513 117.961 119.600 -0.209 0.000 2.446 83 M HA -0.089 4.390 4.480 -0.002 0.000 0.263 83 M C 1.005 176.932 176.300 -0.622 0.000 1.066 83 M CA 1.448 56.456 55.300 -0.487 0.000 1.087 83 M CB -0.404 31.779 32.600 -0.694 0.000 1.406 83 M HN 0.041 nan 8.290 nan 0.000 0.459 84 W N 0.674 121.920 121.300 -0.090 0.000 3.114 84 W HA 0.290 4.949 4.660 -0.002 0.000 0.279 84 W C 0.506 176.954 176.519 -0.118 0.000 1.277 84 W CA -0.910 56.351 57.345 -0.140 0.000 1.630 84 W CB -0.083 29.321 29.460 -0.094 0.000 1.087 84 W HN 0.096 nan 8.180 nan 0.000 0.637 85 N N 1.597 120.352 118.700 0.091 0.000 2.503 85 N HA 0.136 4.875 4.740 -0.002 0.000 0.267 85 N C -2.415 173.072 175.510 -0.039 0.000 1.214 85 N CA -1.518 51.563 53.050 0.051 0.000 0.959 85 N CB 0.030 38.550 38.487 0.055 0.000 1.142 85 N HN -0.349 nan 8.380 nan 0.000 0.455 86 P HA 0.016 nan 4.420 nan 0.000 0.264 86 P C 0.135 177.381 177.300 -0.090 0.000 1.183 86 P CA 0.149 63.195 63.100 -0.091 0.000 0.763 86 P CB 0.302 31.958 31.700 -0.073 0.000 0.807 87 N N 1.934 120.564 118.700 -0.117 0.000 2.204 87 N HA 0.074 4.813 4.740 -0.002 0.000 0.219 87 N C 0.155 175.620 175.510 -0.075 0.000 1.151 87 N CA -0.038 52.954 53.050 -0.097 0.000 0.867 87 N CB 0.425 38.842 38.487 -0.118 0.000 1.043 87 N HN 0.202 nan 8.380 nan 0.000 0.516 88 R N -0.061 120.392 120.500 -0.078 0.000 2.905 88 R HA 0.328 4.667 4.340 -0.002 0.000 0.260 88 R C -0.266 176.000 176.300 -0.057 0.000 1.086 88 R CA -0.701 55.365 56.100 -0.057 0.000 0.978 88 R CB 0.865 31.129 30.300 -0.060 0.000 1.215 88 R HN 0.079 nan 8.270 nan 0.000 0.480 89 E N 1.644 121.814 120.200 -0.050 0.000 2.442 89 E HA 0.006 4.354 4.350 -0.002 0.000 0.262 89 E C 0.061 176.625 176.600 -0.059 0.000 1.004 89 E CA 0.538 56.908 56.400 -0.050 0.000 0.928 89 E CB 0.489 30.160 29.700 -0.048 0.000 0.937 89 E HN 0.281 nan 8.360 nan 0.000 0.446 90 M N 1.229 120.793 119.600 -0.060 0.000 2.274 90 M HA 0.187 4.666 4.480 -0.002 0.000 0.344 90 M C 0.363 176.612 176.300 -0.084 0.000 1.161 90 M CA 0.116 55.371 55.300 -0.075 0.000 1.126 90 M CB 1.265 33.822 32.600 -0.072 0.000 1.522 90 M HN 0.287 nan 8.290 nan 0.000 0.461 91 S N 0.192 115.830 115.700 -0.103 0.000 2.537 91 S HA 0.217 4.686 4.470 -0.002 0.000 0.271 91 S C 0.153 174.656 174.600 -0.161 0.000 1.148 91 S CA -0.682 57.451 58.200 -0.111 0.000 0.868 91 S CB 1.412 64.575 63.200 -0.062 0.000 1.115 91 S HN 0.835 nan 8.310 nan 0.000 0.461 92 E N 1.079 121.152 120.200 -0.213 0.000 2.267 92 E HA -0.127 4.222 4.350 -0.002 0.000 0.197 92 E C -0.187 176.337 176.600 -0.127 0.000 0.998 92 E CA 0.740 56.998 56.400 -0.236 0.000 0.830 92 E CB 0.081 29.635 29.700 -0.243 0.000 0.751 92 E HN 0.507 nan 8.360 nan 0.000 0.491 93 D N 0.191 120.554 120.400 -0.062 0.000 2.435 93 D HA -0.006 4.633 4.640 -0.002 0.000 0.230 93 D C -0.008 176.368 176.300 0.126 0.000 1.215 93 D CA -0.219 53.791 54.000 0.017 0.000 0.947 93 D CB 0.078 40.911 40.800 0.055 0.000 1.048 93 D HN 0.156 nan 8.370 nan 0.000 0.512 94 c N 2.574 121.223 118.600 0.082 0.000 3.865 94 c HA 0.381 4.950 4.570 -0.002 0.000 0.297 94 c C 0.490 174.653 174.090 0.121 0.000 1.758 94 c CA -0.672 55.757 56.329 0.167 0.000 1.778 94 c CB -1.141 41.390 42.510 0.035 0.000 3.158 94 c HN 0.434 nan 8.230 nan 0.000 0.598 95 L N 2.675 123.703 121.223 -0.324 0.000 2.389 95 L HA 0.468 4.807 4.340 -0.002 0.000 0.265 95 L C -1.081 175.035 176.870 -1.257 0.000 1.167 95 L CA 0.355 54.764 54.840 -0.717 0.000 1.045 95 L CB -0.372 41.151 42.059 -0.892 0.000 1.351 95 L HN 0.383 nan 8.230 nan 0.000 0.419 96 Y N 1.808 121.973 120.300 -0.224 0.000 2.553 96 Y HA 0.591 5.139 4.550 -0.002 0.000 0.347 96 Y C -0.114 175.904 175.900 0.198 0.000 1.019 96 Y CA -1.239 56.808 58.100 -0.088 0.000 1.032 96 Y CB 1.945 40.358 38.460 -0.078 0.000 1.284 96 Y HN 0.209 nan 8.280 nan 0.000 0.466 97 L N -0.047 121.333 121.223 0.261 0.000 2.303 97 L HA 0.779 5.118 4.340 -0.002 0.000 0.266 97 L C -1.095 175.814 176.870 0.065 0.000 1.011 97 L CA -1.115 53.819 54.840 0.157 0.000 0.818 97 L CB 1.518 43.592 42.059 0.025 0.000 1.326 97 L HN 0.463 nan 8.230 nan 0.000 0.435 98 N N 1.621 120.354 118.700 0.056 0.000 2.296 98 N HA 0.625 5.364 4.740 -0.002 0.000 0.294 98 N C -1.448 173.950 175.510 -0.186 0.000 1.033 98 N CA -0.303 52.682 53.050 -0.108 0.000 0.839 98 N CB 2.620 41.045 38.487 -0.104 0.000 1.395 98 N HN 0.490 nan 8.380 nan 0.000 0.479 99 I N 0.745 121.133 120.570 -0.304 0.000 2.436 99 I HA 0.409 4.578 4.170 -0.002 0.000 0.289 99 I C -0.444 175.581 176.117 -0.153 0.000 1.010 99 I CA -0.715 60.505 61.300 -0.134 0.000 1.098 99 I CB 1.252 39.111 38.000 -0.235 0.000 1.266 99 I HN 0.344 nan 8.210 nan 0.000 0.434 100 W N 5.629 127.057 121.300 0.214 0.000 2.376 100 W HA 0.593 5.252 4.660 -0.002 0.000 0.312 100 W C -0.820 175.836 176.519 0.228 0.000 1.060 100 W CA -0.668 56.802 57.345 0.209 0.000 1.221 100 W CB 2.231 31.786 29.460 0.158 0.000 1.281 100 W HN 0.116 nan 8.180 nan 0.000 0.456 101 V N 5.352 125.531 119.914 0.443 0.000 2.444 101 V HA 0.260 4.379 4.120 -0.002 0.000 0.294 101 V C -1.935 174.354 176.094 0.324 0.000 1.022 101 V CA -2.329 60.200 62.300 0.381 0.000 0.850 101 V CB 1.896 34.001 31.823 0.470 0.000 0.992 101 V HN 0.250 nan 8.190 nan 0.000 0.426 102 P HA 0.046 nan 4.420 nan 0.000 0.269 102 P C -0.481 176.947 177.300 0.214 0.000 1.211 102 P CA 0.311 63.547 63.100 0.226 0.000 0.781 102 P CB 0.469 32.264 31.700 0.158 0.000 0.877 103 S N 1.244 117.067 115.700 0.204 0.000 2.605 103 S HA 0.539 5.008 4.470 -0.002 0.000 0.308 103 S C -2.442 172.245 174.600 0.145 0.000 1.113 103 S CA -1.480 56.825 58.200 0.175 0.000 1.049 103 S CB 0.107 63.415 63.200 0.181 0.000 1.001 103 S HN 0.250 nan 8.310 nan 0.000 0.480 104 P HA 0.223 nan 4.420 nan 0.000 0.272 104 P C -0.558 176.815 177.300 0.121 0.000 1.230 104 P CA -0.656 62.509 63.100 0.109 0.000 0.788 104 P CB 0.445 32.194 31.700 0.081 0.000 0.949 105 R N 1.924 122.504 120.500 0.132 0.000 2.502 105 R HA 0.117 4.455 4.340 -0.002 0.000 0.292 105 R C -1.959 174.408 176.300 0.112 0.000 0.998 105 R CA -0.874 55.315 56.100 0.149 0.000 1.056 105 R CB -0.417 29.974 30.300 0.151 0.000 0.939 105 R HN 0.356 nan 8.270 nan 0.000 0.411 106 P HA 0.092 nan 4.420 nan 0.000 0.275 106 P C -0.295 177.042 177.300 0.062 0.000 1.266 106 P CA -0.387 62.761 63.100 0.080 0.000 0.793 106 P CB 0.718 32.469 31.700 0.084 0.000 1.074 107 K N -0.789 119.634 120.400 0.038 0.000 2.244 107 K HA 0.167 4.486 4.320 -0.002 0.000 0.200 107 K C 0.463 177.063 176.600 0.000 0.000 1.052 107 K CA 0.818 57.116 56.287 0.018 0.000 0.980 107 K CB -0.034 32.473 32.500 0.010 0.000 0.838 107 K HN 0.252 nan 8.250 nan 0.000 0.481 108 S N 1.736 117.438 115.700 0.003 0.000 2.680 108 S HA 0.116 4.585 4.470 -0.002 0.000 0.140 108 S C -0.809 173.791 174.600 0.001 0.000 1.357 108 S CA -0.489 57.704 58.200 -0.012 0.000 1.201 108 S CB 0.269 63.452 63.200 -0.028 0.000 1.547 108 S HN 0.338 nan 8.310 nan 0.000 0.411 109 T N -0.097 114.469 114.554 0.020 0.000 2.952 109 T HA 0.579 4.928 4.350 -0.002 0.000 0.286 109 T C 0.252 174.967 174.700 0.024 0.000 1.024 109 T CA -0.648 61.467 62.100 0.025 0.000 1.029 109 T CB 0.909 69.803 68.868 0.044 0.000 1.094 109 T HN 0.244 nan 8.240 nan 0.000 0.515 110 T N 1.954 116.517 114.554 0.015 0.000 2.777 110 T HA 0.207 4.555 4.350 -0.002 0.000 0.273 110 T C 0.179 174.907 174.700 0.047 0.000 1.016 110 T CA -0.107 62.001 62.100 0.014 0.000 1.156 110 T CB -0.368 68.496 68.868 -0.006 0.000 1.019 110 T HN 0.572 nan 8.240 nan 0.000 0.503 111 V N 5.512 125.460 119.914 0.057 0.000 2.547 111 V HA 0.523 4.641 4.120 -0.002 0.000 0.299 111 V C 0.169 176.331 176.094 0.113 0.000 1.040 111 V CA -0.803 61.557 62.300 0.100 0.000 0.913 111 V CB 1.749 33.633 31.823 0.101 0.000 0.992 111 V HN 0.836 nan 8.190 nan 0.000 0.449 112 M N 4.176 123.876 119.600 0.167 0.000 2.259 112 M HA 0.539 5.018 4.480 -0.002 0.000 0.304 112 M C -1.340 175.230 176.300 0.449 0.000 1.019 112 M CA -0.613 54.823 55.300 0.226 0.000 0.922 112 M CB 2.213 34.832 32.600 0.032 0.000 1.600 112 M HN 0.365 nan 8.290 nan 0.000 0.433 113 V N 3.076 123.281 119.914 0.485 0.000 2.357 113 V HA 0.329 4.448 4.120 -0.002 0.000 0.284 113 V C -0.756 175.599 176.094 0.436 0.000 1.018 113 V CA -0.634 61.911 62.300 0.408 0.000 0.841 113 V CB 1.386 33.319 31.823 0.184 0.000 0.991 113 V HN 0.865 nan 8.190 nan 0.000 0.437 114 W N 7.010 128.378 121.300 0.114 0.000 2.338 114 W HA 0.605 5.264 4.660 -0.002 0.000 0.307 114 W C -1.270 175.126 176.519 -0.206 0.000 1.167 114 W CA -0.752 56.384 57.345 -0.348 0.000 1.208 114 W CB 1.155 30.458 29.460 -0.263 0.000 1.228 114 W HN 0.448 nan 8.180 nan 0.000 0.499 115 I N 9.425 129.309 120.570 -1.142 0.000 2.390 115 I HA 0.050 4.218 4.170 -0.002 0.000 0.283 115 I C -0.208 175.143 176.117 -1.276 0.000 1.016 115 I CA -1.149 59.601 61.300 -0.916 0.000 1.151 115 I CB 0.553 38.189 38.000 -0.606 0.000 1.293 115 I HN 0.299 nan 8.210 nan 0.000 0.458 116 Y N 4.648 124.484 120.300 -0.773 0.000 2.683 116 Y HA 0.513 5.061 4.550 -0.002 0.000 0.340 116 Y C 0.818 176.570 175.900 -0.246 0.000 1.245 116 Y CA -0.773 57.029 58.100 -0.496 0.000 1.485 116 Y CB -0.190 38.210 38.460 -0.101 0.000 1.328 116 Y HN 0.554 nan 8.280 nan 0.000 0.603 117 G N 0.004 108.824 108.800 0.033 0.000 2.510 117 G HA2 0.475 4.434 3.960 -0.002 0.000 0.280 117 G HA3 0.475 4.434 3.960 -0.002 0.000 0.280 117 G C 0.369 175.235 174.900 -0.057 0.000 1.386 117 G CA -0.827 44.232 45.100 -0.069 0.000 1.047 117 G HN 1.776 nan 8.290 nan 0.000 0.527 118 G N -3.036 105.570 108.800 -0.323 0.000 2.321 118 G HA2 0.424 4.383 3.960 -0.002 0.000 0.219 118 G HA3 0.424 4.383 3.960 -0.002 0.000 0.219 118 G C 0.983 175.380 174.900 -0.838 0.000 1.057 118 G CA 0.689 45.474 45.100 -0.524 0.000 0.849 118 G HN 2.293 nan 8.290 nan 0.000 0.520 119 G N -0.448 107.858 108.800 -0.822 0.000 2.187 119 G HA2 -0.143 3.815 3.960 -0.002 0.000 0.261 119 G HA3 -0.143 3.815 3.960 -0.002 0.000 0.261 119 G C 0.932 175.596 174.900 -0.394 0.000 1.000 119 G CA 0.810 45.249 45.100 -1.100 0.000 0.718 119 G HN 1.769 nan 8.290 nan 0.000 0.519 120 F N -3.497 116.342 119.950 -0.186 0.000 2.825 120 F HA -0.328 4.198 4.527 -0.002 0.000 0.358 120 F C 1.491 177.376 175.800 0.141 0.000 0.639 120 F CA 2.189 60.181 58.000 -0.014 0.000 1.153 120 F CB -2.082 36.737 39.000 -0.302 0.000 1.610 120 F HN 0.865 nan 8.300 nan 0.000 0.305 121 Y N -0.854 119.535 120.300 0.148 0.000 2.445 121 Y HA 0.653 5.201 4.550 -0.002 0.000 0.247 121 Y C 0.647 176.669 175.900 0.204 0.000 1.129 121 Y CA 0.269 58.482 58.100 0.188 0.000 1.251 121 Y CB 0.032 38.538 38.460 0.076 0.000 1.176 121 Y HN 0.093 nan 8.280 nan 0.000 0.522 122 S N -0.857 114.659 115.700 -0.307 0.000 2.672 122 S HA 0.883 5.351 4.470 -0.002 0.000 0.271 122 S C -0.280 174.170 174.600 -0.251 0.000 1.171 122 S CA -0.497 57.565 58.200 -0.230 0.000 0.817 122 S CB 1.483 64.474 63.200 -0.349 0.000 1.150 122 S HN 1.272 nan 8.310 nan 0.000 0.478 123 G N -0.308 108.316 108.800 -0.293 0.000 2.402 123 G HA2 0.430 4.389 3.960 -0.002 0.000 0.666 123 G HA3 0.430 4.389 3.960 -0.002 0.000 0.666 123 G C -1.159 173.149 174.900 -0.987 0.000 1.402 123 G CA -0.351 44.427 45.100 -0.536 0.000 0.920 123 G HN 1.362 nan 8.290 nan 0.000 0.651 124 S N -0.813 114.300 115.700 -0.979 0.000 2.546 124 S HA 0.645 5.114 4.470 -0.002 0.000 0.272 124 S C 0.972 175.403 174.600 -0.282 0.000 1.140 124 S CA 0.127 57.948 58.200 -0.632 0.000 0.920 124 S CB 1.770 64.789 63.200 -0.302 0.000 1.083 124 S HN 1.973 nan 8.310 nan 0.000 0.476 125 S N 0.427 116.121 115.700 -0.010 0.000 2.522 125 S HA -0.071 4.397 4.470 -0.002 0.000 0.227 125 S C 1.332 176.016 174.600 0.139 0.000 0.986 125 S CA 1.046 59.445 58.200 0.331 0.000 0.929 125 S CB -0.593 62.842 63.200 0.393 0.000 0.769 125 S HN 0.830 nan 8.310 nan 0.000 0.529 126 T N -0.122 114.311 114.554 -0.201 0.000 3.069 126 T HA 0.421 4.769 4.350 -0.002 0.000 0.252 126 T C 0.515 174.918 174.700 -0.494 0.000 1.053 126 T CA -0.568 61.088 62.100 -0.741 0.000 0.964 126 T CB -0.512 67.810 68.868 -0.910 0.000 1.005 126 T HN 0.308 nan 8.240 nan 0.000 0.532 127 L N 2.228 123.265 121.223 -0.310 0.000 2.506 127 L HA 0.103 4.442 4.340 -0.002 0.000 0.281 127 L C 1.316 177.958 176.870 -0.380 0.000 1.228 127 L CA -0.388 54.188 54.840 -0.439 0.000 0.850 127 L CB 0.339 41.913 42.059 -0.810 0.000 1.110 127 L HN 0.099 nan 8.230 nan 0.000 0.496 128 D N 1.306 121.502 120.400 -0.341 0.000 2.149 128 D HA -0.147 4.492 4.640 -0.002 0.000 0.198 128 D C 1.944 178.045 176.300 -0.332 0.000 0.990 128 D CA 1.428 55.282 54.000 -0.242 0.000 0.839 128 D CB -0.034 40.639 40.800 -0.212 0.000 0.948 128 D HN 0.543 nan 8.370 nan 0.000 0.460 129 V N -1.384 118.184 119.914 -0.577 0.000 2.970 129 V HA -0.130 3.989 4.120 -0.002 0.000 0.260 129 V C 1.362 177.023 176.094 -0.722 0.000 1.100 129 V CA 0.919 62.859 62.300 -0.601 0.000 1.122 129 V CB -1.064 30.312 31.823 -0.744 0.000 0.721 129 V HN 0.040 nan 8.190 nan 0.000 0.483 130 Y N 0.384 120.234 120.300 -0.751 0.000 2.493 130 Y HA 0.404 4.953 4.550 -0.002 0.000 0.275 130 Y C 1.157 176.641 175.900 -0.693 0.000 1.183 130 Y CA -1.617 55.765 58.100 -1.197 0.000 1.258 130 Y CB -1.137 36.899 38.460 -0.707 0.000 1.108 130 Y HN 0.279 nan 8.280 nan 0.000 0.521 131 N N 1.508 120.049 118.700 -0.265 0.000 2.429 131 N HA -0.029 4.709 4.740 -0.002 0.000 0.271 131 N C 1.358 176.537 175.510 -0.552 0.000 1.272 131 N CA 0.595 53.476 53.050 -0.281 0.000 0.921 131 N CB 1.090 39.515 38.487 -0.103 0.000 1.128 131 N HN 0.457 nan 8.380 nan 0.000 0.481 132 G N 3.411 111.331 108.800 -1.466 0.000 2.776 132 G HA2 -0.216 3.742 3.960 -0.002 0.000 0.209 132 G HA3 -0.216 3.742 3.960 -0.002 0.000 0.209 132 G C 1.419 175.733 174.900 -0.977 0.000 1.145 132 G CA 0.536 44.978 45.100 -1.097 0.000 0.791 132 G HN 0.765 nan 8.290 nan 0.000 0.530 133 K N -0.441 119.204 120.400 -1.260 0.000 2.103 133 K HA -0.081 4.238 4.320 -0.002 0.000 0.204 133 K C 1.792 178.125 176.600 -0.445 0.000 1.052 133 K CA 0.925 56.761 56.287 -0.751 0.000 0.945 133 K CB -0.517 31.587 32.500 -0.660 0.000 0.722 133 K HN 0.373 nan 8.250 nan 0.000 0.443 134 Y N 1.166 121.383 120.300 -0.139 0.000 2.181 134 Y HA -0.161 4.388 4.550 -0.002 0.000 0.288 134 Y C 2.383 178.288 175.900 0.008 0.000 1.146 134 Y CA 0.591 58.670 58.100 -0.034 0.000 1.164 134 Y CB -0.408 38.006 38.460 -0.076 0.000 0.982 134 Y HN 0.035 nan 8.280 nan 0.000 0.515 135 L N 0.368 121.629 121.223 0.064 0.000 2.072 135 L HA 0.015 4.354 4.340 -0.002 0.000 0.205 135 L C 2.341 179.238 176.870 0.045 0.000 1.079 135 L CA 1.745 56.590 54.840 0.009 0.000 0.752 135 L CB -1.188 40.804 42.059 -0.112 0.000 0.906 135 L HN 0.142 nan 8.230 nan 0.000 0.436 136 A N -1.305 121.555 122.820 0.067 0.000 1.902 136 A HA -0.292 4.027 4.320 -0.002 0.000 0.217 136 A C 2.334 180.010 177.584 0.154 0.000 1.181 136 A CA 1.907 54.030 52.037 0.143 0.000 0.623 136 A CB -1.168 17.979 19.000 0.244 0.000 0.818 136 A HN 0.630 nan 8.150 nan 0.000 0.443 137 Y N 0.831 121.150 120.300 0.032 0.000 2.163 137 Y HA -0.161 4.388 4.550 -0.002 0.000 0.288 137 Y C 2.652 178.577 175.900 0.041 0.000 1.136 137 Y CA 2.336 60.459 58.100 0.039 0.000 1.147 137 Y CB -0.364 38.100 38.460 0.007 0.000 0.987 137 Y HN 0.296 nan 8.280 nan 0.000 0.509 138 T N 0.119 114.678 114.554 0.008 0.000 2.812 138 T HA -0.103 4.246 4.350 -0.002 0.000 0.264 138 T C 1.323 175.966 174.700 -0.095 0.000 1.042 138 T CA 1.567 63.612 62.100 -0.093 0.000 1.140 138 T CB -0.078 68.819 68.868 0.048 0.000 0.870 138 T HN 0.303 nan 8.240 nan 0.000 0.445 139 E N 0.312 120.501 120.200 -0.018 0.000 2.476 139 E HA 0.144 4.492 4.350 -0.002 0.000 0.199 139 E C 0.224 176.833 176.600 0.015 0.000 1.021 139 E CA 0.035 56.450 56.400 0.024 0.000 0.907 139 E CB 0.249 29.980 29.700 0.051 0.000 0.974 139 E HN 0.501 nan 8.360 nan 0.000 0.489 140 E N 0.170 120.366 120.200 -0.007 0.000 2.340 140 E HA -0.165 4.184 4.350 -0.002 0.000 0.240 140 E C -0.470 176.161 176.600 0.051 0.000 1.154 140 E CA 0.443 56.852 56.400 0.015 0.000 0.717 140 E CB -1.291 28.406 29.700 -0.005 0.000 1.250 140 E HN 0.133 nan 8.360 nan 0.000 0.386 141 V N -3.130 116.828 119.914 0.072 0.000 2.881 141 V HA 0.694 4.813 4.120 -0.002 0.000 0.316 141 V C 0.614 176.793 176.094 0.143 0.000 1.070 141 V CA -0.969 61.383 62.300 0.087 0.000 0.976 141 V CB 2.111 33.972 31.823 0.063 0.000 1.038 141 V HN -0.040 nan 8.190 nan 0.000 0.446 142 V N 4.271 124.277 119.914 0.153 0.000 2.427 142 V HA 0.293 4.411 4.120 -0.002 0.000 0.268 142 V C 0.107 176.343 176.094 0.238 0.000 1.046 142 V CA 0.001 62.424 62.300 0.204 0.000 0.970 142 V CB 0.829 32.759 31.823 0.177 0.000 1.001 142 V HN 0.785 nan 8.190 nan 0.000 0.476 143 L N 6.862 128.286 121.223 0.336 0.000 2.265 143 L HA 0.559 4.898 4.340 -0.002 0.000 0.289 143 L C -0.485 176.692 176.870 0.513 0.000 1.033 143 L CA -0.137 54.962 54.840 0.431 0.000 0.814 143 L CB 1.356 43.688 42.059 0.455 0.000 1.203 143 L HN 0.430 nan 8.230 nan 0.000 0.423 144 V N 3.262 123.442 119.914 0.444 0.000 2.483 144 V HA 0.567 4.686 4.120 -0.002 0.000 0.295 144 V C -0.138 176.237 176.094 0.469 0.000 1.035 144 V CA -0.523 61.999 62.300 0.370 0.000 0.896 144 V CB 1.889 33.843 31.823 0.218 0.000 0.986 144 V HN 0.843 nan 8.190 nan 0.000 0.447 145 S N 4.805 120.776 115.700 0.452 0.000 2.519 145 S HA 0.822 5.291 4.470 -0.002 0.000 0.309 145 S C -0.779 173.993 174.600 0.287 0.000 1.100 145 S CA -0.800 57.670 58.200 0.451 0.000 1.059 145 S CB 1.615 65.191 63.200 0.626 0.000 1.008 145 S HN 0.676 nan 8.310 nan 0.000 0.478 146 L N 0.768 122.100 121.223 0.182 0.000 2.544 146 L HA 0.994 5.333 4.340 -0.002 0.000 0.256 146 L C 0.122 177.132 176.870 0.233 0.000 1.097 146 L CA -0.665 54.249 54.840 0.124 0.000 0.812 146 L CB 0.060 42.067 42.059 -0.086 0.000 1.440 146 L HN 0.881 nan 8.230 nan 0.000 0.496 147 S N -1.690 114.208 115.700 0.329 0.000 2.661 147 S HA 0.903 5.372 4.470 -0.002 0.000 0.285 147 S C -1.291 173.543 174.600 0.390 0.000 1.138 147 S CA -0.501 57.922 58.200 0.372 0.000 0.855 147 S CB 1.537 64.999 63.200 0.436 0.000 1.136 147 S HN 1.204 nan 8.310 nan 0.000 0.484 148 Y N -1.883 118.532 120.300 0.192 0.000 2.565 148 Y HA 0.658 5.207 4.550 -0.002 0.000 0.330 148 Y C -0.807 175.234 175.900 0.234 0.000 1.150 148 Y CA -1.394 56.808 58.100 0.169 0.000 1.055 148 Y CB 0.672 39.182 38.460 0.085 0.000 1.337 148 Y HN 0.758 nan 8.280 nan 0.000 0.457 149 R N 2.103 122.734 120.500 0.217 0.000 2.538 149 R HA 0.446 4.785 4.340 -0.002 0.000 0.282 149 R C -0.052 176.438 176.300 0.316 0.000 1.009 149 R CA 0.115 56.315 56.100 0.165 0.000 1.063 149 R CB 0.545 30.905 30.300 0.100 0.000 0.945 149 R HN 0.692 nan 8.270 nan 0.000 0.414 150 V N 0.086 120.202 119.914 0.337 0.000 3.166 150 V HA 0.905 5.024 4.120 -0.002 0.000 0.317 150 V C 0.743 177.178 176.094 0.568 0.000 1.136 150 V CA -0.066 62.551 62.300 0.528 0.000 1.035 150 V CB 1.294 33.306 31.823 0.314 0.000 1.110 150 V HN 0.981 nan 8.190 nan 0.000 0.450 151 G N 0.626 109.783 108.800 0.595 0.000 2.601 151 G HA2 0.040 3.999 3.960 -0.002 0.000 0.261 151 G HA3 0.040 3.999 3.960 -0.002 0.000 0.261 151 G C 0.997 176.050 174.900 0.255 0.000 1.289 151 G CA 0.962 46.339 45.100 0.462 0.000 0.920 151 G HN 2.237 nan 8.290 nan 0.000 0.571 152 A N -1.168 121.429 122.820 -0.372 0.000 1.917 152 A HA 0.092 4.411 4.320 -0.002 0.000 0.219 152 A C 2.266 179.686 177.584 -0.273 0.000 1.182 152 A CA 2.844 54.339 52.037 -0.904 0.000 0.633 152 A CB -0.647 17.648 19.000 -1.175 0.000 0.819 152 A HN 1.124 nan 8.150 nan 0.000 0.448 153 F N 0.084 120.086 119.950 0.087 0.000 2.192 153 F HA -0.077 4.449 4.527 -0.002 0.000 0.301 153 F C 2.492 178.309 175.800 0.027 0.000 1.079 153 F CA 1.103 59.141 58.000 0.063 0.000 1.303 153 F CB -0.818 38.163 39.000 -0.032 0.000 1.024 153 F HN 0.287 nan 8.300 nan 0.000 0.494 154 G N -2.092 106.813 108.800 0.175 0.000 2.656 154 G HA2 0.032 3.991 3.960 -0.002 0.000 0.211 154 G HA3 0.032 3.991 3.960 -0.002 0.000 0.211 154 G C 0.842 175.262 174.900 -0.799 0.000 1.137 154 G CA 0.182 45.119 45.100 -0.271 0.000 0.802 154 G HN 0.354 nan 8.290 nan 0.000 0.527 155 F N -0.539 119.507 119.950 0.159 0.000 2.899 155 F HA 0.443 4.969 4.527 -0.002 0.000 0.337 155 F C 0.384 176.257 175.800 0.122 0.000 1.129 155 F CA -0.985 57.091 58.000 0.128 0.000 1.128 155 F CB 0.379 39.472 39.000 0.155 0.000 1.154 155 F HN -0.114 nan 8.300 nan 0.000 0.531 156 L N 2.128 123.380 121.223 0.049 0.000 2.513 156 L HA 0.456 4.795 4.340 -0.002 0.000 0.272 156 L C 0.167 177.017 176.870 -0.033 0.000 1.187 156 L CA 0.119 54.904 54.840 -0.093 0.000 0.895 156 L CB 0.475 42.176 42.059 -0.598 0.000 1.147 156 L HN 0.155 nan 8.230 nan 0.000 0.483 157 A N 7.061 129.903 122.820 0.036 0.000 2.340 157 A HA 0.612 4.931 4.320 -0.002 0.000 0.297 157 A C -0.848 176.750 177.584 0.023 0.000 1.195 157 A CA -0.470 51.593 52.037 0.043 0.000 0.769 157 A CB 0.631 19.682 19.000 0.085 0.000 1.163 157 A HN 0.699 nan 8.150 nan 0.000 0.472 158 L N 3.630 124.861 121.223 0.012 0.000 2.445 158 L HA 0.246 4.585 4.340 -0.002 0.000 0.252 158 L C 0.008 176.916 176.870 0.063 0.000 1.105 158 L CA -0.773 54.078 54.840 0.018 0.000 0.943 158 L CB 0.457 42.495 42.059 -0.036 0.000 1.277 158 L HN 0.891 nan 8.230 nan 0.000 0.465 159 H N 1.820 120.890 119.070 0.000 0.000 3.064 159 H HA 0.261 4.816 4.556 -0.002 0.000 0.329 159 H C 1.164 176.498 175.328 0.010 0.000 1.020 159 H CA 1.532 57.587 56.048 0.012 0.000 1.402 159 H CB 0.908 30.680 29.762 0.017 0.000 1.379 159 H HN 0.691 nan 8.280 nan 0.000 0.594 160 G N 2.816 111.299 108.800 -0.528 0.000 2.345 160 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.218 160 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.218 160 G C 0.452 175.262 174.900 -0.151 0.000 1.058 160 G CA 0.357 45.249 45.100 -0.348 0.000 0.632 160 G HN 1.146 nan 8.290 nan 0.000 0.508 161 S N 0.463 116.112 115.700 -0.084 0.000 2.601 161 S HA 0.641 5.110 4.470 -0.002 0.000 0.271 161 S C 0.860 175.451 174.600 -0.015 0.000 1.305 161 S CA 0.351 58.529 58.200 -0.036 0.000 1.022 161 S CB 1.847 65.037 63.200 -0.016 0.000 0.940 161 S HN 0.243 nan 8.310 nan 0.000 0.525 162 Q N 0.420 120.222 119.800 0.002 0.000 2.319 162 Q HA 0.176 4.514 4.340 -0.002 0.000 0.209 162 Q C 1.084 177.108 176.000 0.040 0.000 0.884 162 Q CA 0.333 56.147 55.803 0.019 0.000 0.938 162 Q CB 0.123 28.870 28.738 0.016 0.000 1.098 162 Q HN 0.755 nan 8.270 nan 0.000 0.517 163 E N 0.506 120.734 120.200 0.047 0.000 2.170 163 E HA 0.082 4.431 4.350 -0.002 0.000 0.191 163 E C 0.224 176.895 176.600 0.119 0.000 0.981 163 E CA 0.509 56.957 56.400 0.081 0.000 0.830 163 E CB 0.496 30.249 29.700 0.089 0.000 0.775 163 E HN 0.113 nan 8.360 nan 0.000 0.470 164 A N 1.811 124.673 122.820 0.071 0.000 3.317 164 A HA 0.326 4.645 4.320 -0.002 0.000 0.307 164 A C -2.054 175.546 177.584 0.026 0.000 1.003 164 A CA -1.006 51.062 52.037 0.051 0.000 0.882 164 A CB 0.617 19.540 19.000 -0.129 0.000 1.136 164 A HN -0.121 nan 8.150 nan 0.000 0.488 165 P HA 0.108 nan 4.420 nan 0.000 0.223 165 P C 0.903 178.255 177.300 0.087 0.000 1.151 165 P CA 1.870 65.011 63.100 0.069 0.000 0.787 165 P CB 0.124 31.869 31.700 0.074 0.000 0.788 166 G N 0.221 109.055 108.800 0.056 0.000 2.663 166 G HA2 -0.125 3.834 3.960 -0.002 0.000 0.686 166 G HA3 -0.125 3.834 3.960 -0.002 0.000 0.686 166 G C -0.123 174.791 174.900 0.023 0.000 1.246 166 G CA -0.284 44.853 45.100 0.061 0.000 0.795 166 G HN 0.093 nan 8.290 nan 0.000 0.627 167 N N -2.502 116.201 118.700 0.004 0.000 2.909 167 N HA -0.273 4.465 4.740 -0.002 0.000 0.242 167 N C 1.911 177.284 175.510 -0.228 0.000 0.975 167 N CA 2.597 55.588 53.050 -0.100 0.000 0.921 167 N CB -1.640 36.747 38.487 -0.167 0.000 1.112 167 N HN 1.940 nan 8.380 nan 0.000 0.581 168 V N -2.444 117.327 119.914 -0.239 0.000 2.626 168 V HA 0.049 4.168 4.120 -0.002 0.000 0.252 168 V C 2.262 178.236 176.094 -0.201 0.000 1.067 168 V CA 2.352 64.561 62.300 -0.151 0.000 1.081 168 V CB -0.895 30.892 31.823 -0.060 0.000 0.686 168 V HN 0.279 nan 8.190 nan 0.000 0.468 169 G N 0.328 108.806 108.800 -0.535 0.000 2.432 169 G HA2 -0.130 3.828 3.960 -0.002 0.000 0.219 169 G HA3 -0.130 3.828 3.960 -0.002 0.000 0.219 169 G C 1.543 176.446 174.900 0.005 0.000 1.135 169 G CA 1.132 46.044 45.100 -0.314 0.000 0.767 169 G HN 0.542 nan 8.290 nan 0.000 0.550 170 L N -0.194 120.985 121.223 -0.073 0.000 2.109 170 L HA 0.108 4.447 4.340 -0.002 0.000 0.207 170 L C 2.794 179.738 176.870 0.123 0.000 1.086 170 L CA 0.326 55.112 54.840 -0.091 0.000 0.760 170 L CB -0.258 41.430 42.059 -0.619 0.000 0.910 170 L HN 0.181 nan 8.230 nan 0.000 0.437 171 L N -0.579 120.705 121.223 0.102 0.000 2.141 171 L HA -0.196 4.143 4.340 -0.002 0.000 0.209 171 L C 2.162 179.132 176.870 0.166 0.000 1.094 171 L CA 0.802 55.756 54.840 0.191 0.000 0.763 171 L CB -0.689 41.456 42.059 0.144 0.000 0.908 171 L HN 0.270 nan 8.230 nan 0.000 0.437 172 D N 0.210 120.710 120.400 0.167 0.000 2.104 172 D HA -0.225 4.414 4.640 -0.002 0.000 0.194 172 D C 2.274 178.672 176.300 0.163 0.000 0.994 172 D CA 1.327 55.495 54.000 0.280 0.000 0.830 172 D CB -0.241 40.755 40.800 0.326 0.000 0.959 172 D HN 0.426 nan 8.370 nan 0.000 0.452 173 Q N -0.053 119.804 119.800 0.095 0.000 2.119 173 Q HA -0.078 4.260 4.340 -0.002 0.000 0.201 173 Q C 2.279 178.194 176.000 -0.141 0.000 0.972 173 Q CA 0.807 56.579 55.803 -0.052 0.000 0.847 173 Q CB -0.018 28.707 28.738 -0.023 0.000 0.903 173 Q HN 0.207 nan 8.270 nan 0.000 0.433 174 R N 0.677 121.175 120.500 -0.004 0.000 2.081 174 R HA -0.121 4.218 4.340 -0.002 0.000 0.235 174 R C 2.167 178.436 176.300 -0.052 0.000 1.131 174 R CA 1.337 57.407 56.100 -0.051 0.000 0.960 174 R CB -0.129 30.247 30.300 0.126 0.000 0.856 174 R HN 0.257 nan 8.270 nan 0.000 0.436 175 M N 0.153 119.755 119.600 0.003 0.000 2.159 175 M HA -0.111 4.368 4.480 -0.002 0.000 0.263 175 M C 2.115 178.346 176.300 -0.116 0.000 1.063 175 M CA 1.961 57.291 55.300 0.051 0.000 1.110 175 M CB -0.032 32.712 32.600 0.240 0.000 1.374 175 M HN 0.308 nan 8.290 nan 0.000 0.411 176 A N 0.193 122.652 122.820 -0.602 0.000 1.902 176 A HA -0.134 4.185 4.320 -0.002 0.000 0.217 176 A C 1.997 179.443 177.584 -0.231 0.000 1.181 176 A CA 1.494 53.020 52.037 -0.852 0.000 0.623 176 A CB -0.990 17.267 19.000 -1.239 0.000 0.818 176 A HN 0.577 nan 8.150 nan 0.000 0.443 177 L N -1.264 119.852 121.223 -0.178 0.000 2.156 177 L HA -0.176 4.163 4.340 -0.002 0.000 0.208 177 L C 2.785 179.688 176.870 0.055 0.000 1.095 177 L CA 1.444 56.252 54.840 -0.053 0.000 0.770 177 L CB -0.442 41.548 42.059 -0.116 0.000 0.914 177 L HN 0.445 nan 8.230 nan 0.000 0.439 178 Q N -0.256 119.568 119.800 0.041 0.000 2.084 178 Q HA -0.256 4.083 4.340 -0.002 0.000 0.202 178 Q C 1.999 178.109 176.000 0.185 0.000 0.978 178 Q CA 1.952 57.809 55.803 0.091 0.000 0.844 178 Q CB -0.393 28.385 28.738 0.066 0.000 0.898 178 Q HN 0.499 nan 8.270 nan 0.000 0.426 179 W N -0.995 120.314 121.300 0.014 0.000 2.418 179 W HA -0.087 4.571 4.660 -0.002 0.000 0.292 179 W C 1.760 178.325 176.519 0.076 0.000 1.213 179 W CA 1.261 58.646 57.345 0.066 0.000 1.283 179 W CB -0.020 29.483 29.460 0.072 0.000 1.119 179 W HN -0.022 nan 8.180 nan 0.000 0.542 180 V N 0.098 120.229 119.914 0.361 0.000 2.261 180 V HA -0.397 3.721 4.120 -0.002 0.000 0.246 180 V C 2.538 178.675 176.094 0.072 0.000 1.047 180 V CA 2.371 64.804 62.300 0.222 0.000 1.015 180 V CB -1.417 30.518 31.823 0.188 0.000 0.642 180 V HN 0.326 nan 8.190 nan 0.000 0.446 181 H N 0.467 119.543 119.070 0.010 0.000 2.292 181 H HA -0.247 4.308 4.556 -0.002 0.000 0.292 181 H C 2.044 177.312 175.328 -0.099 0.000 1.100 181 H CA 2.471 58.498 56.048 -0.034 0.000 1.238 181 H CB -0.089 29.662 29.762 -0.019 0.000 1.355 181 H HN 0.447 nan 8.280 nan 0.000 0.484 182 D N -0.481 119.883 120.400 -0.060 0.000 2.234 182 D HA -0.049 4.590 4.640 -0.002 0.000 0.205 182 D C 1.343 177.482 176.300 -0.269 0.000 0.962 182 D CA 0.658 54.566 54.000 -0.153 0.000 0.855 182 D CB -0.011 40.731 40.800 -0.096 0.000 0.951 182 D HN 0.492 nan 8.370 nan 0.000 0.500 183 N N -0.265 118.213 118.700 -0.371 0.000 2.211 183 N HA 0.026 4.765 4.740 -0.002 0.000 0.216 183 N C 1.520 176.971 175.510 -0.099 0.000 1.240 183 N CA -0.181 52.676 53.050 -0.321 0.000 0.895 183 N CB 1.003 38.933 38.487 -0.928 0.000 1.102 183 N HN -0.004 nan 8.380 nan 0.000 0.498 184 I N 3.290 123.818 120.570 -0.070 0.000 2.530 184 I HA -0.279 3.890 4.170 -0.002 0.000 0.257 184 I C 2.595 178.716 176.117 0.007 0.000 1.179 184 I CA 1.428 62.786 61.300 0.096 0.000 1.440 184 I CB -0.171 37.863 38.000 0.057 0.000 1.087 184 I HN 0.213 nan 8.210 nan 0.000 0.440 185 Q N -0.715 118.884 119.800 -0.335 0.000 2.124 185 Q HA -0.234 4.104 4.340 -0.002 0.000 0.202 185 Q C 1.897 177.649 176.000 -0.412 0.000 0.977 185 Q CA 1.705 57.239 55.803 -0.448 0.000 0.850 185 Q CB -0.913 27.414 28.738 -0.684 0.000 0.901 185 Q HN 0.432 nan 8.270 nan 0.000 0.429 186 F N -0.279 119.610 119.950 -0.101 0.000 2.699 186 F HA 0.098 4.624 4.527 -0.002 0.000 0.298 186 F C 0.938 176.494 175.800 -0.407 0.000 1.154 186 F CA 0.310 58.147 58.000 -0.272 0.000 1.457 186 F CB -0.156 38.606 39.000 -0.396 0.000 1.106 186 F HN -0.003 nan 8.300 nan 0.000 0.585 187 F N -0.696 119.259 119.950 0.007 0.000 2.695 187 F HA 0.409 4.935 4.527 -0.002 0.000 0.303 187 F C 1.837 177.650 175.800 0.021 0.000 1.091 187 F CA 0.374 58.360 58.000 -0.023 0.000 1.300 187 F CB 0.164 39.130 39.000 -0.056 0.000 1.071 187 F HN 0.031 nan 8.300 nan 0.000 0.578 188 G N 0.306 109.177 108.800 0.118 0.000 2.175 188 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.244 188 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.244 188 G C 0.619 175.561 174.900 0.070 0.000 0.982 188 G CA -0.243 44.906 45.100 0.083 0.000 0.641 188 G HN 0.698 nan 8.290 nan 0.000 0.527 189 G N -0.361 108.487 108.800 0.080 0.000 2.420 189 G HA2 0.481 4.440 3.960 -0.002 0.000 0.284 189 G HA3 0.481 4.440 3.960 -0.002 0.000 0.284 189 G C -0.661 174.229 174.900 -0.017 0.000 1.177 189 G CA 0.305 45.436 45.100 0.051 0.000 0.841 189 G HN 0.240 nan 8.290 nan 0.000 0.527 190 D N 1.741 122.131 120.400 -0.016 0.000 2.339 190 D HA 0.249 4.888 4.640 -0.002 0.000 0.241 190 D C -1.171 175.095 176.300 -0.057 0.000 1.183 190 D CA -2.389 51.582 54.000 -0.049 0.000 0.859 190 D CB 1.832 42.613 40.800 -0.033 0.000 1.067 190 D HN 0.063 nan 8.370 nan 0.000 0.484 191 P HA -0.051 nan 4.420 nan 0.000 0.237 191 P C 0.607 177.866 177.300 -0.067 0.000 1.178 191 P CA 0.366 63.392 63.100 -0.123 0.000 0.766 191 P CB 0.414 31.930 31.700 -0.306 0.000 0.876 192 K N -0.371 119.991 120.400 -0.064 0.000 2.444 192 K HA 0.134 4.453 4.320 -0.002 0.000 0.193 192 K C 0.369 176.960 176.600 -0.015 0.000 1.024 192 K CA 0.551 56.819 56.287 -0.031 0.000 1.077 192 K CB -0.223 32.250 32.500 -0.045 0.000 0.833 192 K HN 0.104 nan 8.250 nan 0.000 0.517 193 T N 0.754 115.303 114.554 -0.007 0.000 3.630 193 T HA 0.142 4.491 4.350 -0.002 0.000 0.238 193 T C -0.609 174.108 174.700 0.028 0.000 1.195 193 T CA -0.424 61.672 62.100 -0.005 0.000 1.433 193 T CB 0.645 69.497 68.868 -0.027 0.000 0.940 193 T HN -0.106 nan 8.240 nan 0.000 0.641 194 V N 1.707 121.666 119.914 0.076 0.000 2.394 194 V HA 0.645 4.763 4.120 -0.002 0.000 0.282 194 V C -0.354 175.847 176.094 0.178 0.000 1.031 194 V CA 0.020 62.398 62.300 0.129 0.000 0.881 194 V CB 1.318 33.234 31.823 0.154 0.000 0.982 194 V HN 0.524 nan 8.190 nan 0.000 0.451 195 T N 8.761 123.403 114.554 0.148 0.000 2.767 195 T HA 0.495 4.844 4.350 -0.002 0.000 0.284 195 T C 0.062 174.886 174.700 0.207 0.000 0.973 195 T CA -0.146 62.061 62.100 0.177 0.000 0.996 195 T CB 0.760 69.689 68.868 0.101 0.000 0.927 195 T HN 0.826 nan 8.240 nan 0.000 0.456 196 I N 1.893 122.534 120.570 0.118 0.000 2.395 196 I HA 0.750 4.919 4.170 -0.002 0.000 0.289 196 I C -0.735 175.528 176.117 0.242 0.000 1.023 196 I CA -0.799 60.542 61.300 0.068 0.000 1.350 196 I CB 0.441 38.250 38.000 -0.318 0.000 1.409 196 I HN 0.463 nan 8.210 nan 0.000 0.507 197 F N 3.546 123.510 119.950 0.023 0.000 2.599 197 F HA 1.020 5.546 4.527 -0.002 0.000 0.311 197 F C -0.339 175.383 175.800 -0.130 0.000 1.076 197 F CA -1.479 56.566 58.000 0.075 0.000 0.937 197 F CB 1.381 40.553 39.000 0.287 0.000 1.282 197 F HN 0.813 nan 8.300 nan 0.000 0.460 198 G N 1.025 109.642 108.800 -0.306 0.000 2.632 198 G HA2 0.468 4.427 3.960 -0.002 0.000 0.292 198 G HA3 0.468 4.427 3.960 -0.002 0.000 0.292 198 G C -2.418 172.265 174.900 -0.361 0.000 1.465 198 G CA -0.763 43.772 45.100 -0.941 0.000 0.824 198 G HN 0.889 nan 8.290 nan 0.000 0.509 202 G N 0.367 108.966 108.800 -0.335 0.000 2.408 202 G HA2 0.194 4.152 3.960 -0.002 0.000 0.217 202 G HA3 0.194 4.152 3.960 -0.002 0.000 0.217 202 G C 1.473 176.180 174.900 -0.322 0.000 1.150 202 G CA 1.662 46.517 45.100 -0.407 0.000 0.776 202 G HN 1.083 nan 8.290 nan 0.000 0.542 203 G N 1.043 109.722 108.800 -0.202 0.000 2.402 203 G HA2 0.098 4.057 3.960 -0.002 0.000 0.216 203 G HA3 0.098 4.057 3.960 -0.002 0.000 0.216 203 G C 2.051 176.841 174.900 -0.183 0.000 1.162 203 G CA 1.438 46.450 45.100 -0.147 0.000 0.777 203 G HN 0.592 nan 8.290 nan 0.000 0.539 204 A N 0.911 123.647 122.820 -0.140 0.000 1.902 204 A HA -0.014 4.305 4.320 -0.002 0.000 0.217 204 A C 2.697 180.203 177.584 -0.130 0.000 1.181 204 A CA 2.280 54.211 52.037 -0.177 0.000 0.623 204 A CB -0.731 18.180 19.000 -0.148 0.000 0.818 204 A HN 0.306 nan 8.150 nan 0.000 0.443 205 S N -0.387 115.253 115.700 -0.099 0.000 2.359 205 S HA -0.192 4.277 4.470 -0.002 0.000 0.222 205 S C 1.933 176.408 174.600 -0.208 0.000 1.038 205 S CA 1.616 59.717 58.200 -0.166 0.000 1.051 205 S CB -0.724 62.328 63.200 -0.246 0.000 0.944 205 S HN 0.360 nan 8.310 nan 0.000 0.433 206 V N 1.624 121.436 119.914 -0.170 0.000 2.250 206 V HA -0.256 3.863 4.120 -0.002 0.000 0.250 206 V C 2.615 178.631 176.094 -0.130 0.000 1.060 206 V CA 2.158 64.366 62.300 -0.153 0.000 1.030 206 V CB -1.550 30.165 31.823 -0.179 0.000 0.643 206 V HN 0.633 nan 8.190 nan 0.000 0.445 207 G N -1.360 107.313 108.800 -0.212 0.000 2.448 207 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.219 207 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.219 207 G C 1.574 176.455 174.900 -0.031 0.000 1.127 207 G CA 1.024 45.973 45.100 -0.251 0.000 0.766 207 G HN 0.474 nan 8.290 nan 0.000 0.552 208 M N -0.356 119.236 119.600 -0.013 0.000 2.254 208 M HA 0.054 4.532 4.480 -0.002 0.000 0.265 208 M C 2.209 178.631 176.300 0.204 0.000 1.066 208 M CA 0.778 56.203 55.300 0.207 0.000 1.123 208 M CB -0.143 32.578 32.600 0.202 0.000 1.388 208 M HN 0.156 nan 8.290 nan 0.000 0.425 209 H N -0.161 119.036 119.070 0.212 0.000 2.470 209 H HA 0.078 4.633 4.556 -0.002 0.000 0.289 209 H C 2.044 177.597 175.328 0.375 0.000 1.033 209 H CA 1.136 57.309 56.048 0.209 0.000 1.331 209 H CB -0.162 29.611 29.762 0.018 0.000 1.414 209 H HN 0.405 nan 8.280 nan 0.000 0.545 210 I N 0.256 121.118 120.570 0.486 0.000 2.394 210 I HA -0.216 3.953 4.170 -0.002 0.000 0.251 210 I C 2.124 178.490 176.117 0.416 0.000 1.136 210 I CA 0.780 62.405 61.300 0.541 0.000 1.425 210 I CB -0.005 38.270 38.000 0.457 0.000 1.079 210 I HN 0.119 nan 8.210 nan 0.000 0.425 211 L N -0.619 120.818 121.223 0.356 0.000 2.071 211 L HA -0.023 4.315 4.340 -0.002 0.000 0.201 211 L C 1.553 178.555 176.870 0.220 0.000 1.076 211 L CA 0.291 55.341 54.840 0.351 0.000 0.755 211 L CB -0.365 41.935 42.059 0.402 0.000 0.915 211 L HN 0.044 nan 8.230 nan 0.000 0.445 212 S N 0.692 116.451 115.700 0.097 0.000 2.571 212 S HA 0.017 4.486 4.470 -0.002 0.000 0.297 212 S C -1.451 173.049 174.600 -0.168 0.000 1.234 212 S CA -1.187 56.869 58.200 -0.239 0.000 1.120 212 S CB 0.575 63.273 63.200 -0.837 0.000 0.923 212 S HN -0.037 nan 8.310 nan 0.000 0.504 213 P HA -0.079 nan 4.420 nan 0.000 0.217 213 P C 1.365 178.581 177.300 -0.140 0.000 1.151 213 P CA 1.279 64.315 63.100 -0.108 0.000 0.849 213 P CB -0.126 31.516 31.700 -0.095 0.000 0.787 214 G N -1.721 106.944 108.800 -0.225 0.000 2.744 214 G HA2 -0.083 3.875 3.960 -0.002 0.000 0.211 214 G HA3 -0.083 3.875 3.960 -0.002 0.000 0.211 214 G C 1.356 176.168 174.900 -0.146 0.000 1.143 214 G CA 0.390 45.376 45.100 -0.191 0.000 0.788 214 G HN 0.227 nan 8.290 nan 0.000 0.534 215 S N -0.149 115.486 115.700 -0.109 0.000 2.514 215 S HA 0.074 4.543 4.470 -0.002 0.000 0.223 215 S C 2.328 176.998 174.600 0.117 0.000 1.046 215 S CA -0.421 57.813 58.200 0.057 0.000 0.914 215 S CB 0.141 63.501 63.200 0.267 0.000 0.807 215 S HN 0.361 nan 8.310 nan 0.000 0.497 216 R N 2.048 122.568 120.500 0.034 0.000 2.133 216 R HA -0.138 4.200 4.340 -0.002 0.000 0.247 216 R C 0.515 176.609 176.300 -0.343 0.000 1.151 216 R CA 1.561 57.589 56.100 -0.119 0.000 0.971 216 R CB -0.842 29.407 30.300 -0.087 0.000 0.866 216 R HN 0.338 nan 8.270 nan 0.000 0.447 217 D N 0.588 120.869 120.400 -0.199 0.000 2.355 217 D HA 0.039 4.678 4.640 -0.002 0.000 0.218 217 D C 1.520 177.703 176.300 -0.195 0.000 1.004 217 D CA 0.529 54.404 54.000 -0.207 0.000 0.880 217 D CB 0.077 40.780 40.800 -0.162 0.000 0.911 217 D HN 0.213 nan 8.370 nan 0.000 0.528 218 L N -0.061 121.088 121.223 -0.124 0.000 2.611 218 L HA 0.197 4.536 4.340 -0.002 0.000 0.229 218 L C -0.245 176.754 176.870 0.215 0.000 1.137 218 L CA -0.145 54.697 54.840 0.002 0.000 0.901 218 L CB -0.271 41.814 42.059 0.042 0.000 1.098 218 L HN -0.065 nan 8.230 nan 0.000 0.456 219 F N -4.428 115.535 119.950 0.021 0.000 2.773 219 F HA 0.526 5.052 4.527 -0.002 0.000 0.314 219 F C 0.302 176.129 175.800 0.044 0.000 1.160 219 F CA -1.288 56.736 58.000 0.041 0.000 0.920 219 F CB 1.101 40.123 39.000 0.037 0.000 1.323 219 F HN -0.390 nan 8.300 nan 0.000 0.457 220 R N 0.520 121.103 120.500 0.138 0.000 2.121 220 R HA 0.488 4.827 4.340 -0.002 0.000 0.206 220 R C -0.204 176.156 176.300 0.101 0.000 1.094 220 R CA 0.905 57.013 56.100 0.013 0.000 1.055 220 R CB 0.360 30.675 30.300 0.025 0.000 0.964 220 R HN 0.776 nan 8.270 nan 0.000 0.473 221 R N -1.270 119.416 120.500 0.310 0.000 2.831 221 R HA 0.765 5.104 4.340 -0.002 0.000 0.266 221 R C -1.459 175.111 176.300 0.449 0.000 1.051 221 R CA -0.778 55.515 56.100 0.322 0.000 0.943 221 R CB 1.701 32.041 30.300 0.067 0.000 1.228 221 R HN 0.095 nan 8.270 nan 0.000 0.467 222 A N 1.144 124.204 122.820 0.401 0.000 2.455 222 A HA 0.695 5.014 4.320 -0.002 0.000 0.300 222 A C -1.058 176.619 177.584 0.155 0.000 1.040 222 A CA -0.712 51.462 52.037 0.228 0.000 0.697 222 A CB 1.258 20.350 19.000 0.154 0.000 1.265 222 A HN 0.593 nan 8.150 nan 0.000 0.407 223 I N 2.032 122.653 120.570 0.085 0.000 2.436 223 I HA 0.418 4.586 4.170 -0.002 0.000 0.289 223 I C -1.345 174.802 176.117 0.049 0.000 1.010 223 I CA -0.640 60.638 61.300 -0.037 0.000 1.098 223 I CB 1.864 39.784 38.000 -0.133 0.000 1.266 223 I HN 0.437 nan 8.210 nan 0.000 0.434 224 L N 6.650 127.875 121.223 0.003 0.000 2.319 224 L HA 0.438 4.777 4.340 -0.002 0.000 0.281 224 L C -0.498 176.447 176.870 0.124 0.000 1.005 224 L CA -0.243 54.601 54.840 0.007 0.000 0.828 224 L CB 1.520 43.507 42.059 -0.119 0.000 1.227 224 L HN 0.497 nan 8.230 nan 0.000 0.415 225 Q N 2.108 122.031 119.800 0.205 0.000 2.368 225 Q HA 0.487 4.826 4.340 -0.002 0.000 0.263 225 Q C -0.078 176.040 176.000 0.196 0.000 1.009 225 Q CA -0.549 55.453 55.803 0.331 0.000 0.818 225 Q CB 1.456 30.492 28.738 0.497 0.000 1.239 225 Q HN 0.643 nan 8.270 nan 0.000 0.464 226 S N 0.905 116.704 115.700 0.164 0.000 3.682 226 S HA -0.142 4.326 4.470 -0.002 0.000 0.354 226 S C -0.001 174.728 174.600 0.215 0.000 1.034 226 S CA 0.550 58.862 58.200 0.186 0.000 1.084 226 S CB -1.144 62.179 63.200 0.205 0.000 0.903 226 S HN 1.001 nan 8.310 nan 0.000 0.470 227 G N -0.391 108.480 108.800 0.118 0.000 2.519 227 G HA2 0.675 4.634 3.960 -0.002 0.000 0.292 227 G HA3 0.675 4.634 3.960 -0.002 0.000 0.292 227 G C -1.022 173.813 174.900 -0.108 0.000 1.507 227 G CA 0.216 45.386 45.100 0.117 0.000 0.806 227 G HN 1.308 nan 8.290 nan 0.000 0.523 228 S N 0.212 115.770 115.700 -0.237 0.000 2.547 228 S HA 0.756 5.225 4.470 -0.002 0.000 0.270 228 S C -2.444 171.864 174.600 -0.486 0.000 1.150 228 S CA -0.808 57.111 58.200 -0.468 0.000 0.850 228 S CB 2.811 65.761 63.200 -0.417 0.000 1.118 228 S HN 0.445 nan 8.310 nan 0.000 0.461 229 P HA -0.050 nan 4.420 nan 0.000 0.223 229 P C 0.524 177.593 177.300 -0.386 0.000 1.151 229 P CA 1.078 63.942 63.100 -0.393 0.000 0.787 229 P CB -0.301 31.223 31.700 -0.293 0.000 0.788 230 N N -0.848 117.662 118.700 -0.318 0.000 2.313 230 N HA -0.001 4.737 4.740 -0.002 0.000 0.207 230 N C -0.059 175.233 175.510 -0.363 0.000 1.141 230 N CA -0.276 52.622 53.050 -0.253 0.000 0.830 230 N CB -1.246 37.212 38.487 -0.048 0.000 1.008 230 N HN -0.008 nan 8.380 nan 0.000 0.481 231 C N 2.716 121.679 119.300 -0.563 0.000 2.657 231 C HA 0.114 4.573 4.460 -0.002 0.000 0.420 231 C C -0.298 174.212 174.990 -0.801 0.000 1.323 231 C CA -0.867 57.677 59.018 -0.791 0.000 1.894 231 C CB 1.150 28.087 27.740 -1.337 0.000 2.681 231 C HN 0.367 nan 8.230 nan 0.000 0.613 232 P HA -0.078 nan 4.420 nan 0.000 0.230 232 P C 1.058 178.184 177.300 -0.289 0.000 1.158 232 P CA 1.558 64.398 63.100 -0.434 0.000 0.769 232 P CB -0.054 31.383 31.700 -0.438 0.000 0.807 233 W N -1.672 119.532 121.300 -0.160 0.000 3.177 233 W HA 0.592 5.251 4.660 -0.002 0.000 0.309 233 W C 0.914 177.497 176.519 0.107 0.000 1.224 233 W CA 0.304 57.644 57.345 -0.009 0.000 1.718 233 W CB -0.863 28.677 29.460 0.133 0.000 1.078 233 W HN -0.122 nan 8.180 nan 0.000 0.618 234 A N 1.326 123.886 122.820 -0.433 0.000 2.238 234 A HA 0.260 4.579 4.320 -0.002 0.000 0.210 234 A C 0.920 178.307 177.584 -0.328 0.000 1.179 234 A CA 0.970 52.815 52.037 -0.320 0.000 0.827 234 A CB -0.453 18.094 19.000 -0.755 0.000 0.856 234 A HN 0.195 nan 8.150 nan 0.000 0.488 235 S N -1.606 113.913 115.700 -0.302 0.000 2.588 235 S HA 0.642 5.111 4.470 -0.002 0.000 0.269 235 S C -0.886 173.584 174.600 -0.216 0.000 1.157 235 S CA -0.071 57.944 58.200 -0.309 0.000 0.824 235 S CB 1.265 64.221 63.200 -0.407 0.000 1.126 235 S HN 1.326 nan 8.310 nan 0.000 0.464 236 V N -0.813 118.993 119.914 -0.181 0.000 3.078 236 V HA 0.925 5.044 4.120 -0.002 0.000 0.311 236 V C 0.249 176.272 176.094 -0.118 0.000 1.138 236 V CA -0.415 61.805 62.300 -0.134 0.000 1.007 236 V CB 1.146 32.902 31.823 -0.111 0.000 1.045 236 V HN 1.535 nan 8.190 nan 0.000 0.432 237 S N 1.312 116.952 115.700 -0.099 0.000 2.587 237 S HA 0.231 4.700 4.470 -0.002 0.000 0.260 237 S C 1.390 175.941 174.600 -0.081 0.000 1.353 237 S CA 0.067 58.214 58.200 -0.089 0.000 0.995 237 S CB 1.141 64.299 63.200 -0.070 0.000 0.912 237 S HN 2.132 nan 8.310 nan 0.000 0.568 238 V N -1.282 118.574 119.914 -0.098 0.000 2.515 238 V HA 0.002 4.121 4.120 -0.002 0.000 0.250 238 V C 2.533 178.609 176.094 -0.031 0.000 1.058 238 V CA 1.635 63.883 62.300 -0.087 0.000 1.064 238 V CB -2.049 29.646 31.823 -0.214 0.000 0.675 238 V HN 1.006 nan 8.190 nan 0.000 0.461 239 A N 0.706 123.505 122.820 -0.035 0.000 1.873 239 A HA -0.183 4.136 4.320 -0.002 0.000 0.215 239 A C 2.218 179.781 177.584 -0.035 0.000 1.186 239 A CA 1.908 53.933 52.037 -0.021 0.000 0.616 239 A CB -0.699 18.289 19.000 -0.020 0.000 0.823 239 A HN 0.625 nan 8.150 nan 0.000 0.442 240 E N 0.154 120.323 120.200 -0.052 0.000 2.085 240 E HA -0.075 4.274 4.350 -0.002 0.000 0.194 240 E C 1.961 178.515 176.600 -0.076 0.000 0.994 240 E CA 1.677 58.032 56.400 -0.074 0.000 0.801 240 E CB -0.842 28.806 29.700 -0.087 0.000 0.743 240 E HN 0.404 nan 8.360 nan 0.000 0.453 241 G N 0.589 109.356 108.800 -0.055 0.000 2.440 241 G HA2 -0.375 3.584 3.960 -0.002 0.000 0.218 241 G HA3 -0.375 3.584 3.960 -0.002 0.000 0.218 241 G C 1.751 176.649 174.900 -0.004 0.000 1.154 241 G CA 0.985 46.071 45.100 -0.024 0.000 0.767 241 G HN 0.326 nan 8.290 nan 0.000 0.552 242 R N 0.135 120.634 120.500 -0.003 0.000 2.080 242 R HA -0.030 4.308 4.340 -0.002 0.000 0.236 242 R C 2.620 178.911 176.300 -0.016 0.000 1.137 242 R CA 1.497 57.597 56.100 0.001 0.000 0.943 242 R CB -0.393 29.915 30.300 0.013 0.000 0.846 242 R HN 0.266 nan 8.270 nan 0.000 0.431 243 R N 0.542 121.023 120.500 -0.032 0.000 2.103 243 R HA -0.168 4.171 4.340 -0.002 0.000 0.242 243 R C 2.221 178.488 176.300 -0.056 0.000 1.142 243 R CA 2.040 58.112 56.100 -0.047 0.000 0.960 243 R CB -0.151 30.111 30.300 -0.064 0.000 0.858 243 R HN 0.322 nan 8.270 nan 0.000 0.439 244 R N -0.428 120.026 120.500 -0.077 0.000 2.092 244 R HA -0.063 4.276 4.340 -0.002 0.000 0.231 244 R C 2.310 178.631 176.300 0.035 0.000 1.119 244 R CA 1.243 57.288 56.100 -0.091 0.000 0.970 244 R CB -0.283 29.872 30.300 -0.242 0.000 0.864 244 R HN 0.238 nan 8.270 nan 0.000 0.440 245 A N 0.824 123.685 122.820 0.069 0.000 1.898 245 A HA -0.082 4.237 4.320 -0.002 0.000 0.216 245 A C 2.358 179.937 177.584 -0.007 0.000 1.181 245 A CA 1.160 53.228 52.037 0.051 0.000 0.620 245 A CB -0.419 18.559 19.000 -0.036 0.000 0.819 245 A HN 0.095 nan 8.150 nan 0.000 0.442 246 V N 0.159 120.065 119.914 -0.013 0.000 2.343 246 V HA -0.243 3.876 4.120 -0.002 0.000 0.247 246 V C 2.595 178.684 176.094 -0.007 0.000 1.051 246 V CA 2.405 64.695 62.300 -0.015 0.000 1.036 246 V CB -0.741 31.073 31.823 -0.016 0.000 0.654 246 V HN 0.702 nan 8.190 nan 0.000 0.451 247 E N 0.337 120.532 120.200 -0.007 0.000 2.110 247 E HA -0.214 4.135 4.350 -0.002 0.000 0.193 247 E C 1.922 178.532 176.600 0.017 0.000 0.988 247 E CA 1.241 57.638 56.400 -0.005 0.000 0.804 247 E CB -0.415 29.268 29.700 -0.028 0.000 0.745 247 E HN 0.451 nan 8.360 nan 0.000 0.458 248 L N -0.159 121.090 121.223 0.043 0.000 1.994 248 L HA 0.007 4.345 4.340 -0.002 0.000 0.208 248 L C 2.257 179.140 176.870 0.023 0.000 1.071 248 L CA 2.413 57.292 54.840 0.065 0.000 0.745 248 L CB -1.057 41.079 42.059 0.128 0.000 0.892 248 L HN 0.258 nan 8.230 nan 0.000 0.431 249 G N -1.066 107.733 108.800 -0.001 0.000 2.442 249 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.219 249 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.219 249 G C 1.792 176.698 174.900 0.011 0.000 1.141 249 G CA 0.806 45.905 45.100 -0.003 0.000 0.763 249 G HN 0.396 nan 8.290 nan 0.000 0.554 250 R N 0.433 120.939 120.500 0.011 0.000 2.105 250 R HA -0.064 4.275 4.340 -0.002 0.000 0.239 250 R C 2.219 178.531 176.300 0.021 0.000 1.135 250 R CA 1.354 57.463 56.100 0.014 0.000 0.967 250 R CB -0.340 29.965 30.300 0.009 0.000 0.861 250 R HN 0.339 nan 8.270 nan 0.000 0.442 251 N N 0.207 118.924 118.700 0.027 0.000 2.381 251 N HA -0.127 4.612 4.740 -0.002 0.000 0.182 251 N C 0.957 176.490 175.510 0.039 0.000 1.025 251 N CA 0.910 53.982 53.050 0.037 0.000 0.888 251 N CB 0.154 38.669 38.487 0.048 0.000 0.965 251 N HN 0.277 nan 8.380 nan 0.000 0.438 252 L N 0.458 121.701 121.223 0.033 0.000 2.857 252 L HA 0.211 4.550 4.340 -0.002 0.000 0.249 252 L C -0.264 176.624 176.870 0.031 0.000 1.172 252 L CA -0.129 54.731 54.840 0.034 0.000 0.980 252 L CB 0.081 42.159 42.059 0.032 0.000 1.299 252 L HN 0.006 nan 8.230 nan 0.000 0.535 253 N N -0.518 118.199 118.700 0.028 0.000 2.738 253 N HA -0.175 4.564 4.740 -0.002 0.000 0.249 253 N C -0.132 175.396 175.510 0.029 0.000 1.047 253 N CA 0.505 53.571 53.050 0.027 0.000 0.707 253 N CB -1.900 36.603 38.487 0.028 0.000 0.937 253 N HN 0.283 nan 8.380 nan 0.000 0.545 254 c N 0.920 119.536 118.600 0.027 0.000 2.520 254 c HA 0.217 4.786 4.570 -0.002 0.000 0.376 254 c C 1.447 175.555 174.090 0.031 0.000 1.268 254 c CA -0.858 55.490 56.329 0.032 0.000 2.414 254 c CB 0.846 43.372 42.510 0.026 0.000 2.521 254 c HN 0.393 nan 8.230 nan 0.000 0.618 255 N N 1.597 120.321 118.700 0.040 0.000 2.452 255 N HA 0.116 4.855 4.740 -0.002 0.000 0.266 255 N C -0.023 175.502 175.510 0.026 0.000 1.175 255 N CA 0.201 53.271 53.050 0.033 0.000 0.945 255 N CB 0.439 38.950 38.487 0.041 0.000 1.063 255 N HN 0.607 nan 8.380 nan 0.000 0.472 256 L N 3.111 124.344 121.223 0.017 0.000 2.741 256 L HA 0.176 4.515 4.340 -0.002 0.000 0.237 256 L C 1.771 178.645 176.870 0.007 0.000 1.178 256 L CA -0.273 54.572 54.840 0.010 0.000 0.973 256 L CB -0.207 41.855 42.059 0.006 0.000 1.255 256 L HN 0.518 nan 8.230 nan 0.000 0.498 257 N N 0.684 119.389 118.700 0.010 0.000 2.084 257 N HA -0.094 4.645 4.740 -0.002 0.000 0.190 257 N C 0.800 176.312 175.510 0.004 0.000 1.030 257 N CA 1.503 54.557 53.050 0.006 0.000 0.849 257 N CB 0.258 38.748 38.487 0.006 0.000 1.012 257 N HN 0.423 nan 8.380 nan 0.000 0.423 258 S N -0.972 114.731 115.700 0.005 0.000 2.661 258 S HA 0.336 4.805 4.470 -0.002 0.000 0.285 258 S C 0.064 174.667 174.600 0.004 0.000 1.138 258 S CA -0.881 57.321 58.200 0.003 0.000 0.855 258 S CB 1.950 65.152 63.200 0.002 0.000 1.136 258 S HN -0.150 nan 8.310 nan 0.000 0.484 259 D N 1.050 121.450 120.400 -0.000 0.000 2.158 259 D HA -0.082 4.557 4.640 -0.002 0.000 0.197 259 D C 1.517 177.824 176.300 0.013 0.000 0.995 259 D CA 1.716 55.714 54.000 -0.004 0.000 0.846 259 D CB -0.219 40.575 40.800 -0.009 0.000 0.941 259 D HN 0.708 nan 8.370 nan 0.000 0.456 260 E N 0.655 120.868 120.200 0.021 0.000 2.072 260 E HA -0.114 4.235 4.350 -0.002 0.000 0.191 260 E C 2.049 178.690 176.600 0.068 0.000 0.985 260 E CA 0.751 57.175 56.400 0.040 0.000 0.801 260 E CB -0.079 29.632 29.700 0.019 0.000 0.750 260 E HN 0.262 nan 8.360 nan 0.000 0.452 261 E N 0.505 120.733 120.200 0.046 0.000 2.038 261 E HA -0.192 4.157 4.350 -0.002 0.000 0.195 261 E C 2.156 178.812 176.600 0.093 0.000 1.000 261 E CA 0.724 57.163 56.400 0.065 0.000 0.803 261 E CB -0.461 29.259 29.700 0.034 0.000 0.750 261 E HN 0.148 nan 8.360 nan 0.000 0.448 262 L N 1.423 122.675 121.223 0.048 0.000 1.956 262 L HA -0.198 4.141 4.340 -0.002 0.000 0.216 262 L C 2.368 179.255 176.870 0.028 0.000 1.073 262 L CA 1.645 56.498 54.840 0.021 0.000 0.762 262 L CB -0.831 41.217 42.059 -0.019 0.000 0.889 262 L HN 0.086 nan 8.230 nan 0.000 0.433 263 I N -1.135 119.454 120.570 0.031 0.000 2.163 263 I HA -0.369 3.800 4.170 -0.002 0.000 0.243 263 I C 2.616 178.831 176.117 0.163 0.000 1.085 263 I CA 1.682 63.024 61.300 0.070 0.000 1.347 263 I CB -0.766 37.282 38.000 0.080 0.000 1.044 263 I HN 0.508 nan 8.210 nan 0.000 0.408 264 H N 0.767 119.882 119.070 0.075 0.000 2.289 264 H HA -0.317 4.238 4.556 -0.002 0.000 0.296 264 H C 2.546 177.919 175.328 0.075 0.000 1.091 264 H CA 2.606 58.696 56.048 0.071 0.000 1.274 264 H CB -0.282 29.507 29.762 0.044 0.000 1.364 264 H HN 0.548 nan 8.280 nan 0.000 0.490 265 c N 1.099 119.728 118.600 0.048 0.000 2.413 265 c HA -0.133 4.436 4.570 -0.002 0.000 0.276 265 c C 3.105 177.189 174.090 -0.010 0.000 1.236 265 c CA 1.129 57.458 56.329 -0.001 0.000 1.735 265 c CB -1.477 41.074 42.510 0.067 0.000 2.031 265 c HN 0.590 nan 8.230 nan 0.000 0.474 266 L N 0.214 121.472 121.223 0.058 0.000 2.191 266 L HA -0.091 4.248 4.340 -0.002 0.000 0.212 266 L C 3.005 179.987 176.870 0.185 0.000 1.103 266 L CA 1.482 56.409 54.840 0.145 0.000 0.769 266 L CB -0.671 41.478 42.059 0.151 0.000 0.908 266 L HN 0.375 nan 8.230 nan 0.000 0.438 267 R N -0.466 120.108 120.500 0.122 0.000 2.193 267 R HA -0.068 4.271 4.340 -0.002 0.000 0.213 267 R C 1.817 178.068 176.300 -0.081 0.000 1.055 267 R CA 0.469 56.560 56.100 -0.016 0.000 0.995 267 R CB 0.049 30.337 30.300 -0.020 0.000 0.893 267 R HN 0.275 nan 8.270 nan 0.000 0.459 268 E N 0.740 120.866 120.200 -0.122 0.000 2.371 268 E HA 0.004 4.353 4.350 -0.002 0.000 0.194 268 E C 0.121 176.702 176.600 -0.032 0.000 1.012 268 E CA 0.709 57.046 56.400 -0.104 0.000 0.860 268 E CB 0.190 29.803 29.700 -0.146 0.000 0.811 268 E HN 0.050 nan 8.360 nan 0.000 0.502 269 K N 1.621 122.020 120.400 -0.001 0.000 2.270 269 K HA 0.173 4.492 4.320 -0.002 0.000 0.276 269 K C 0.368 177.001 176.600 0.055 0.000 1.023 269 K CA -0.165 56.141 56.287 0.032 0.000 0.955 269 K CB 0.829 33.358 32.500 0.048 0.000 0.975 269 K HN -0.088 nan 8.250 nan 0.000 0.471 270 K N 2.608 123.045 120.400 0.061 0.000 2.319 270 K HA -0.001 4.318 4.320 -0.002 0.000 0.265 270 K C -1.547 175.140 176.600 0.144 0.000 1.000 270 K CA -1.307 55.025 56.287 0.074 0.000 0.943 270 K CB 0.063 32.597 32.500 0.056 0.000 0.950 270 K HN 0.195 nan 8.250 nan 0.000 0.485 271 P HA -0.265 nan 4.420 nan 0.000 0.217 271 P C 1.130 178.625 177.300 0.326 0.000 1.162 271 P CA 1.361 64.661 63.100 0.334 0.000 0.901 271 P CB 0.222 31.939 31.700 0.028 0.000 0.793 272 Q N -0.003 119.906 119.800 0.183 0.000 2.291 272 Q HA -0.186 4.153 4.340 -0.002 0.000 0.206 272 Q C 1.864 177.961 176.000 0.162 0.000 0.976 272 Q CA 1.581 57.485 55.803 0.169 0.000 0.875 272 Q CB -0.781 28.023 28.738 0.110 0.000 0.927 272 Q HN 0.377 nan 8.270 nan 0.000 0.450 273 E N -0.706 119.577 120.200 0.137 0.000 2.077 273 E HA -0.183 4.166 4.350 -0.002 0.000 0.193 273 E C 1.679 178.346 176.600 0.111 0.000 0.989 273 E CA 1.083 57.549 56.400 0.111 0.000 0.800 273 E CB -0.088 29.662 29.700 0.084 0.000 0.746 273 E HN 0.257 nan 8.360 nan 0.000 0.452 274 L N 0.704 121.995 121.223 0.114 0.000 2.056 274 L HA -0.130 4.209 4.340 -0.002 0.000 0.207 274 L C 2.290 179.217 176.870 0.095 0.000 1.078 274 L CA 1.347 56.208 54.840 0.035 0.000 0.749 274 L CB -0.344 41.618 42.059 -0.162 0.000 0.901 274 L HN 0.121 nan 8.230 nan 0.000 0.433 275 I N -0.555 120.141 120.570 0.210 0.000 2.286 275 I HA -0.273 3.896 4.170 -0.002 0.000 0.248 275 I C 1.838 178.140 176.117 0.309 0.000 1.115 275 I CA 1.009 62.486 61.300 0.295 0.000 1.392 275 I CB -0.323 37.897 38.000 0.368 0.000 1.065 275 I HN 0.254 nan 8.210 nan 0.000 0.418 276 D N 0.146 120.692 120.400 0.244 0.000 2.219 276 D HA -0.097 4.542 4.640 -0.002 0.000 0.205 276 D C 1.836 178.272 176.300 0.227 0.000 0.970 276 D CA 1.288 55.430 54.000 0.237 0.000 0.851 276 D CB 0.131 41.031 40.800 0.166 0.000 0.943 276 D HN 0.351 nan 8.370 nan 0.000 0.488 277 V N -2.129 117.894 119.914 0.182 0.000 3.427 277 V HA 0.229 4.347 4.120 -0.002 0.000 0.305 277 V C 1.652 177.834 176.094 0.146 0.000 1.412 277 V CA -0.085 62.309 62.300 0.156 0.000 1.086 277 V CB 0.293 32.181 31.823 0.108 0.000 0.964 277 V HN -0.051 nan 8.190 nan 0.000 0.439 278 E N 0.764 121.044 120.200 0.134 0.000 2.110 278 E HA -0.220 4.128 4.350 -0.002 0.000 0.193 278 E C 1.538 178.038 176.600 -0.167 0.000 0.988 278 E CA 2.150 58.564 56.400 0.024 0.000 0.804 278 E CB -0.161 29.488 29.700 -0.086 0.000 0.745 278 E HN 0.796 nan 8.360 nan 0.000 0.458 279 W N 1.042 122.352 121.300 0.016 0.000 2.699 279 W HA 0.035 4.694 4.660 -0.002 0.000 0.249 279 W C 1.557 178.048 176.519 -0.047 0.000 1.280 279 W CA 0.045 57.352 57.345 -0.062 0.000 1.345 279 W CB -0.037 29.356 29.460 -0.113 0.000 1.128 279 W HN 0.095 nan 8.180 nan 0.000 0.642 280 N N 0.251 119.045 118.700 0.156 0.000 2.573 280 N HA -0.105 4.633 4.740 -0.002 0.000 0.187 280 N C 1.671 177.193 175.510 0.018 0.000 1.107 280 N CA 1.437 54.539 53.050 0.087 0.000 0.918 280 N CB -0.559 37.977 38.487 0.082 0.000 0.966 280 N HN 0.265 nan 8.380 nan 0.000 0.448 281 V N -2.490 117.404 119.914 -0.035 0.000 3.647 281 V HA 0.259 4.378 4.120 -0.002 0.000 0.279 281 V C 0.748 176.748 176.094 -0.158 0.000 1.314 281 V CA -0.147 62.091 62.300 -0.102 0.000 1.125 281 V CB -0.621 31.114 31.823 -0.145 0.000 0.907 281 V HN -0.017 nan 8.190 nan 0.000 0.434 282 L N 2.308 123.456 121.223 -0.124 0.000 2.490 282 L HA 0.212 4.551 4.340 -0.002 0.000 0.274 282 L C -0.449 176.301 176.870 -0.199 0.000 1.201 282 L CA -0.883 53.870 54.840 -0.145 0.000 0.869 282 L CB 0.775 42.809 42.059 -0.042 0.000 1.123 282 L HN 0.162 nan 8.230 nan 0.000 0.484 283 P HA -0.016 nan 4.420 nan 0.000 0.224 283 P C -0.243 176.664 177.300 -0.655 0.000 1.157 283 P CA 1.032 63.779 63.100 -0.588 0.000 0.799 283 P CB 0.274 31.424 31.700 -0.918 0.000 0.809 284 F N -0.231 119.720 119.950 0.003 0.000 2.556 284 F HA 0.401 4.927 4.527 -0.002 0.000 0.327 284 F C 0.584 176.394 175.800 0.016 0.000 1.059 284 F CA -1.856 56.153 58.000 0.015 0.000 0.953 284 F CB 0.142 39.160 39.000 0.030 0.000 1.227 284 F HN -0.347 nan 8.300 nan 0.000 0.478 285 D N 1.329 121.870 120.400 0.235 0.000 2.344 285 D HA 0.361 4.999 4.640 -0.002 0.000 0.253 285 D C -0.640 175.743 176.300 0.137 0.000 1.255 285 D CA 0.341 54.422 54.000 0.136 0.000 0.894 285 D CB 0.231 41.090 40.800 0.099 0.000 1.067 285 D HN 0.603 nan 8.370 nan 0.000 0.492 286 S N 2.513 118.281 115.700 0.114 0.000 2.638 286 S HA 0.708 5.177 4.470 -0.002 0.000 0.274 286 S C -0.859 173.776 174.600 0.058 0.000 1.157 286 S CA -0.938 57.324 58.200 0.103 0.000 0.826 286 S CB 1.192 64.487 63.200 0.158 0.000 1.139 286 S HN 0.257 nan 8.310 nan 0.000 0.474 287 I N 0.504 121.107 120.570 0.055 0.000 2.740 287 I HA 0.704 4.872 4.170 -0.002 0.000 0.303 287 I C -0.574 175.563 176.117 0.034 0.000 1.044 287 I CA -0.694 60.636 61.300 0.050 0.000 1.064 287 I CB 1.432 39.481 38.000 0.083 0.000 1.249 287 I HN 0.853 nan 8.210 nan 0.000 0.433 288 F N 4.128 123.907 119.950 -0.284 0.000 3.074 288 F HA -0.233 4.293 4.527 -0.002 0.000 0.289 288 F C -0.261 175.006 175.800 -0.888 0.000 0.863 288 F CA 0.496 58.076 58.000 -0.699 0.000 1.121 288 F CB -0.657 37.948 39.000 -0.658 0.000 1.169 288 F HN 0.375 nan 8.300 nan 0.000 0.570 289 R N 0.244 120.283 120.500 -0.769 0.000 2.628 289 R HA 0.657 4.996 4.340 -0.002 0.000 0.288 289 R C -1.025 174.838 176.300 -0.728 0.000 0.980 289 R CA -0.592 55.152 56.100 -0.594 0.000 0.891 289 R CB 1.318 31.541 30.300 -0.127 0.000 1.188 289 R HN -0.026 nan 8.270 nan 0.000 0.450 290 F N -0.624 119.405 119.950 0.132 0.000 2.551 290 F HA 0.362 4.888 4.527 -0.002 0.000 0.316 290 F C 1.474 177.167 175.800 -0.178 0.000 1.089 290 F CA -0.804 57.192 58.000 -0.006 0.000 0.915 290 F CB 1.935 41.056 39.000 0.200 0.000 1.186 290 F HN 0.365 nan 8.300 nan 0.000 0.456 291 S N 0.889 116.408 115.700 -0.301 0.000 2.338 291 S HA -0.023 4.446 4.470 -0.002 0.000 0.218 291 S C 0.140 174.277 174.600 -0.771 0.000 1.032 291 S CA 1.117 58.945 58.200 -0.620 0.000 0.999 291 S CB -0.221 62.441 63.200 -0.897 0.000 0.905 291 S HN 0.339 nan 8.310 nan 0.000 0.439 292 F N 2.180 122.121 119.950 -0.015 0.000 2.332 292 F HA 0.553 5.079 4.527 -0.002 0.000 0.368 292 F C 0.044 175.872 175.800 0.046 0.000 1.110 292 F CA -0.986 57.051 58.000 0.062 0.000 1.087 292 F CB 0.869 39.942 39.000 0.121 0.000 1.235 292 F HN -0.075 nan 8.300 nan 0.000 0.470 293 V N 0.847 120.762 119.914 0.002 0.000 3.160 293 V HA 0.746 4.865 4.120 -0.002 0.000 0.310 293 V C -2.879 172.998 176.094 -0.362 0.000 1.181 293 V CA -3.377 58.659 62.300 -0.440 0.000 1.047 293 V CB 2.014 33.697 31.823 -0.234 0.000 1.068 293 V HN 0.242 nan 8.190 nan 0.000 0.441 294 P HA 0.177 nan 4.420 nan 0.000 0.264 294 P C -0.463 176.763 177.300 -0.125 0.000 1.179 294 P CA 0.399 63.345 63.100 -0.256 0.000 0.763 294 P CB 0.316 31.765 31.700 -0.418 0.000 0.806 295 V N 0.984 120.912 119.914 0.023 0.000 2.667 295 V HA 0.458 4.577 4.120 -0.002 0.000 0.308 295 V C 0.120 176.264 176.094 0.085 0.000 1.048 295 V CA -1.070 61.231 62.300 0.000 0.000 0.928 295 V CB 1.540 33.371 31.823 0.013 0.000 1.004 295 V HN 0.186 nan 8.190 nan 0.000 0.444 296 I N 4.677 125.232 120.570 -0.026 0.000 2.357 296 I HA 0.179 4.348 4.170 -0.002 0.000 0.300 296 I C 0.899 177.034 176.117 0.030 0.000 1.159 296 I CA 0.386 61.704 61.300 0.031 0.000 1.339 296 I CB 0.048 37.987 38.000 -0.101 0.000 1.458 296 I HN 0.856 nan 8.210 nan 0.000 0.577 297 D N 3.151 123.632 120.400 0.135 0.000 2.367 297 D HA 0.107 4.746 4.640 -0.002 0.000 0.207 297 D C 1.529 177.839 176.300 0.017 0.000 1.034 297 D CA 0.614 54.605 54.000 -0.016 0.000 0.861 297 D CB 0.256 41.125 40.800 0.115 0.000 0.943 297 D HN 0.568 nan 8.370 nan 0.000 0.515 298 G N 0.455 109.314 108.800 0.098 0.000 2.159 298 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.256 298 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.256 298 G C 0.694 175.659 174.900 0.108 0.000 0.977 298 G CA 0.711 45.871 45.100 0.099 0.000 0.652 298 G HN 0.467 nan 8.290 nan 0.000 0.531 299 E N -1.754 118.519 120.200 0.122 0.000 2.941 299 E HA 0.388 4.737 4.350 -0.002 0.000 0.180 299 E C 1.698 178.307 176.600 0.016 0.000 1.130 299 E CA -0.227 56.220 56.400 0.079 0.000 1.243 299 E CB -0.034 29.732 29.700 0.111 0.000 1.582 299 E HN 0.169 nan 8.360 nan 0.000 0.499 300 F N 0.927 120.795 119.950 -0.136 0.000 2.134 300 F HA -0.013 4.513 4.527 -0.002 0.000 0.299 300 F C 0.133 175.609 175.800 -0.540 0.000 1.097 300 F CA 1.180 58.951 58.000 -0.381 0.000 1.264 300 F CB 0.293 38.971 39.000 -0.537 0.000 1.001 300 F HN -0.121 nan 8.300 nan 0.000 0.479 301 F N 0.525 120.612 119.950 0.229 0.000 2.375 301 F HA 0.362 4.888 4.527 -0.002 0.000 0.361 301 F C -1.705 174.132 175.800 0.062 0.000 1.117 301 F CA -2.857 55.219 58.000 0.126 0.000 1.037 301 F CB 0.648 39.719 39.000 0.118 0.000 1.192 301 F HN -0.245 nan 8.300 nan 0.000 0.452 302 P HA -0.059 nan 4.420 nan 0.000 0.215 302 P C 0.499 177.857 177.300 0.097 0.000 1.157 302 P CA 1.467 64.624 63.100 0.095 0.000 0.863 302 P CB 0.198 31.930 31.700 0.053 0.000 0.787 303 T N -5.250 109.368 114.554 0.108 0.000 2.693 303 T HA 0.493 4.842 4.350 -0.002 0.000 0.278 303 T C -0.124 174.616 174.700 0.067 0.000 0.994 303 T CA -0.679 61.464 62.100 0.071 0.000 1.033 303 T CB 0.747 69.642 68.868 0.045 0.000 1.342 303 T HN -0.004 nan 8.240 nan 0.000 0.538 304 S N 0.127 115.842 115.700 0.025 0.000 2.563 304 S HA 0.132 4.601 4.470 -0.002 0.000 0.284 304 S C 1.521 176.120 174.600 -0.001 0.000 1.331 304 S CA -0.685 57.508 58.200 -0.012 0.000 1.047 304 S CB -0.389 62.800 63.200 -0.018 0.000 0.859 304 S HN 0.655 nan 8.310 nan 0.000 0.514 305 L N 0.614 121.799 121.223 -0.062 0.000 2.042 305 L HA -0.126 4.212 4.340 -0.002 0.000 0.210 305 L C 2.933 179.832 176.870 0.048 0.000 1.076 305 L CA 2.013 56.831 54.840 -0.037 0.000 0.749 305 L CB -0.782 41.188 42.059 -0.148 0.000 0.893 305 L HN 0.820 nan 8.230 nan 0.000 0.432 306 E N 0.648 120.872 120.200 0.041 0.000 2.051 306 E HA -0.208 4.141 4.350 -0.002 0.000 0.192 306 E C 2.280 178.936 176.600 0.094 0.000 0.991 306 E CA 1.805 58.262 56.400 0.095 0.000 0.799 306 E CB -0.099 29.649 29.700 0.080 0.000 0.748 306 E HN 0.462 nan 8.360 nan 0.000 0.449 307 S N -0.398 115.340 115.700 0.064 0.000 2.383 307 S HA -0.172 4.296 4.470 -0.002 0.000 0.227 307 S C 2.147 176.786 174.600 0.066 0.000 1.026 307 S CA 1.289 59.523 58.200 0.058 0.000 0.981 307 S CB -0.407 62.815 63.200 0.037 0.000 0.818 307 S HN 0.273 nan 8.310 nan 0.000 0.472 308 M N 0.979 120.631 119.600 0.088 0.000 2.108 308 M HA -0.023 4.455 4.480 -0.002 0.000 0.261 308 M C 2.229 178.656 176.300 0.211 0.000 1.066 308 M CA 1.555 56.931 55.300 0.127 0.000 1.107 308 M CB -0.651 32.054 32.600 0.176 0.000 1.356 308 M HN 0.330 nan 8.290 nan 0.000 0.406 309 L N -0.265 121.089 121.223 0.219 0.000 2.056 309 L HA -0.204 4.135 4.340 -0.002 0.000 0.207 309 L C 2.187 179.212 176.870 0.259 0.000 1.078 309 L CA 0.832 55.832 54.840 0.267 0.000 0.749 309 L CB -0.825 41.303 42.059 0.115 0.000 0.901 309 L HN 0.358 nan 8.230 nan 0.000 0.433 310 N N 0.084 118.881 118.700 0.161 0.000 2.104 310 N HA -0.158 4.581 4.740 -0.002 0.000 0.190 310 N C 1.938 177.523 175.510 0.126 0.000 1.024 310 N CA 1.862 55.005 53.050 0.155 0.000 0.853 310 N CB -0.258 38.294 38.487 0.109 0.000 1.008 310 N HN 0.352 nan 8.380 nan 0.000 0.424 311 S N -1.148 114.541 115.700 -0.019 0.000 2.558 311 S HA 0.251 4.720 4.470 -0.002 0.000 0.217 311 S C 1.335 175.546 174.600 -0.648 0.000 0.975 311 S CA 0.431 58.531 58.200 -0.167 0.000 0.912 311 S CB 0.176 63.304 63.200 -0.120 0.000 0.776 311 S HN 0.423 nan 8.310 nan 0.000 0.526 312 G N 2.056 110.263 108.800 -0.988 0.000 2.176 312 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.252 312 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.252 312 G C -0.056 174.020 174.900 -1.373 0.000 1.024 312 G CA 0.059 43.940 45.100 -2.031 0.000 0.755 312 G HN 0.586 nan 8.290 nan 0.000 0.507 313 N N 0.610 118.939 118.700 -0.618 0.000 2.671 313 N HA 0.495 5.234 4.740 -0.002 0.000 0.274 313 N C -0.194 175.270 175.510 -0.078 0.000 1.188 313 N CA -0.002 52.862 53.050 -0.309 0.000 1.065 313 N CB -0.880 37.542 38.487 -0.108 0.000 1.415 313 N HN 0.792 nan 8.380 nan 0.000 0.511 314 F N -0.688 119.206 119.950 -0.094 0.000 2.769 314 F HA 0.353 4.878 4.527 -0.002 0.000 0.313 314 F C -0.496 175.322 175.800 0.030 0.000 1.146 314 F CA -1.415 56.601 58.000 0.026 0.000 0.934 314 F CB 0.525 39.601 39.000 0.127 0.000 1.283 314 F HN -0.085 nan 8.300 nan 0.000 0.443 315 K N 2.153 122.778 120.400 0.375 0.000 2.447 315 K HA 0.185 4.504 4.320 -0.002 0.000 0.281 315 K C -0.939 175.889 176.600 0.379 0.000 1.031 315 K CA -0.104 56.322 56.287 0.232 0.000 1.019 315 K CB 0.485 33.072 32.500 0.146 0.000 0.918 315 K HN 0.676 nan 8.250 nan 0.000 0.476 316 K N 2.676 123.180 120.400 0.173 0.000 2.262 316 K HA 0.217 4.536 4.320 -0.002 0.000 0.282 316 K C -0.296 176.427 176.600 0.204 0.000 1.066 316 K CA -0.172 56.225 56.287 0.183 0.000 0.901 316 K CB 1.861 34.381 32.500 0.033 0.000 1.089 316 K HN 0.677 nan 8.250 nan 0.000 0.476 317 T N 1.357 116.117 114.554 0.344 0.000 2.653 317 T HA 0.270 4.618 4.350 -0.002 0.000 0.306 317 T C -1.475 173.435 174.700 0.350 0.000 1.426 317 T CA -0.772 61.484 62.100 0.261 0.000 1.008 317 T CB 0.609 69.599 68.868 0.203 0.000 1.692 317 T HN 0.404 nan 8.240 nan 0.000 0.483 318 Q N 1.451 121.420 119.800 0.281 0.000 2.259 318 Q HA 0.658 4.997 4.340 -0.002 0.000 0.246 318 Q C -0.150 176.117 176.000 0.446 0.000 0.920 318 Q CA -0.592 55.429 55.803 0.364 0.000 0.895 318 Q CB 1.092 30.038 28.738 0.345 0.000 1.220 318 Q HN 0.594 nan 8.270 nan 0.000 0.439 319 I N -0.587 120.182 120.570 0.333 0.000 2.802 319 I HA 0.629 4.797 4.170 -0.002 0.000 0.298 319 I C -1.834 174.157 176.117 -0.209 0.000 1.176 319 I CA -1.238 60.111 61.300 0.082 0.000 1.025 319 I CB 1.284 39.182 38.000 -0.170 0.000 1.243 319 I HN 0.715 nan 8.210 nan 0.000 0.424 320 L N 7.001 127.878 121.223 -0.577 0.000 2.385 320 L HA 0.828 5.167 4.340 -0.002 0.000 0.273 320 L C -1.327 175.348 176.870 -0.324 0.000 0.990 320 L CA -0.545 53.882 54.840 -0.689 0.000 0.821 320 L CB 1.643 42.801 42.059 -1.500 0.000 1.279 320 L HN 0.848 nan 8.230 nan 0.000 0.412 321 L N 2.393 123.561 121.223 -0.093 0.000 2.671 321 L HA 1.089 5.428 4.340 -0.002 0.000 0.259 321 L C -0.903 175.779 176.870 -0.313 0.000 1.021 321 L CA -0.402 54.401 54.840 -0.062 0.000 0.871 321 L CB 1.938 43.940 42.059 -0.095 0.000 1.472 321 L HN 0.688 nan 8.230 nan 0.000 0.410 322 G N 0.168 108.578 108.800 -0.651 0.000 2.342 322 G HA2 0.567 4.526 3.960 -0.002 0.000 0.297 322 G HA3 0.567 4.526 3.960 -0.002 0.000 0.297 322 G C -1.530 173.026 174.900 -0.573 0.000 1.313 322 G CA -0.004 44.404 45.100 -1.155 0.000 0.830 322 G HN 1.440 nan 8.290 nan 0.000 0.506 323 V N -2.236 117.497 119.914 -0.301 0.000 3.126 323 V HA 0.870 4.989 4.120 -0.002 0.000 0.314 323 V C -0.751 175.427 176.094 0.139 0.000 1.138 323 V CA -1.436 60.893 62.300 0.047 0.000 1.034 323 V CB 1.936 33.825 31.823 0.109 0.000 1.075 323 V HN 0.654 nan 8.190 nan 0.000 0.442 324 N N 0.917 119.715 118.700 0.163 0.000 2.489 324 N HA 0.401 5.140 4.740 -0.002 0.000 0.284 324 N C 0.618 176.070 175.510 -0.096 0.000 1.158 324 N CA -0.517 52.596 53.050 0.105 0.000 0.965 324 N CB 1.588 40.241 38.487 0.277 0.000 1.195 324 N HN 0.916 nan 8.380 nan 0.000 0.506 325 K N 0.093 120.316 120.400 -0.296 0.000 2.074 325 K HA -0.109 4.210 4.320 -0.002 0.000 0.209 325 K C -0.618 176.064 176.600 0.135 0.000 1.048 325 K CA 1.380 57.570 56.287 -0.162 0.000 0.926 325 K CB 0.166 32.610 32.500 -0.094 0.000 0.713 325 K HN 0.533 nan 8.250 nan 0.000 0.444 326 D N 0.978 121.461 120.400 0.138 0.000 2.634 326 D HA 0.041 4.680 4.640 -0.002 0.000 0.318 326 D C 0.115 176.537 176.300 0.204 0.000 1.226 326 D CA -0.098 54.005 54.000 0.171 0.000 0.899 326 D CB 1.346 42.224 40.800 0.130 0.000 1.025 326 D HN 0.155 nan 8.370 nan 0.000 0.501 327 E N 0.506 120.847 120.200 0.234 0.000 2.153 327 E HA -0.098 4.251 4.350 -0.002 0.000 0.194 327 E C 1.948 178.731 176.600 0.305 0.000 0.988 327 E CA 0.589 57.166 56.400 0.295 0.000 0.811 327 E CB 0.176 30.032 29.700 0.260 0.000 0.746 327 E HN 0.441 nan 8.360 nan 0.000 0.466 328 G N 1.087 110.039 108.800 0.255 0.000 2.683 328 G HA2 -0.161 3.797 3.960 -0.002 0.000 0.213 328 G HA3 -0.161 3.797 3.960 -0.002 0.000 0.213 328 G C 1.697 176.759 174.900 0.270 0.000 1.142 328 G CA 0.762 46.045 45.100 0.305 0.000 0.793 328 G HN 0.348 nan 8.290 nan 0.000 0.534 329 S N 0.457 116.256 115.700 0.165 0.000 2.387 329 S HA -0.154 4.315 4.470 -0.002 0.000 0.230 329 S C 2.043 176.591 174.600 -0.088 0.000 1.035 329 S CA 1.017 59.247 58.200 0.049 0.000 1.014 329 S CB -0.540 62.583 63.200 -0.127 0.000 0.836 329 S HN 0.185 nan 8.310 nan 0.000 0.466 330 F N 1.488 121.274 119.950 -0.274 0.000 2.146 330 F HA 0.135 4.661 4.527 -0.002 0.000 0.298 330 F C 1.768 177.215 175.800 -0.588 0.000 1.096 330 F CA 0.993 58.653 58.000 -0.568 0.000 1.275 330 F CB -0.377 38.062 39.000 -0.935 0.000 1.008 330 F HN 0.166 nan 8.300 nan 0.000 0.480 331 F N -0.747 119.197 119.950 -0.010 0.000 2.367 331 F HA -0.070 4.456 4.527 -0.002 0.000 0.298 331 F C 2.061 177.831 175.800 -0.050 0.000 1.094 331 F CA 0.729 58.683 58.000 -0.077 0.000 1.409 331 F CB -0.930 37.948 39.000 -0.203 0.000 1.064 331 F HN -0.130 nan 8.300 nan 0.000 0.528 332 L N -0.798 120.417 121.223 -0.014 0.000 2.072 332 L HA -0.153 4.186 4.340 -0.002 0.000 0.205 332 L C 2.434 179.150 176.870 -0.256 0.000 1.079 332 L CA 0.464 55.093 54.840 -0.352 0.000 0.752 332 L CB -0.687 40.825 42.059 -0.912 0.000 0.906 332 L HN 0.124 nan 8.230 nan 0.000 0.436 333 L N -0.623 120.604 121.223 0.007 0.000 1.991 333 L HA -0.315 4.023 4.340 -0.002 0.000 0.221 333 L C 2.367 179.365 176.870 0.214 0.000 1.079 333 L CA 2.199 57.191 54.840 0.253 0.000 0.778 333 L CB -0.824 41.357 42.059 0.204 0.000 0.893 333 L HN 0.136 nan 8.230 nan 0.000 0.437 334 Y N -0.759 119.552 120.300 0.019 0.000 2.457 334 Y HA 0.143 4.691 4.550 -0.002 0.000 0.292 334 Y C 2.273 178.174 175.900 0.001 0.000 1.125 334 Y CA 1.086 59.208 58.100 0.036 0.000 1.254 334 Y CB -0.258 38.203 38.460 0.002 0.000 1.012 334 Y HN 0.344 nan 8.280 nan 0.000 0.555 335 G N -1.928 106.956 108.800 0.141 0.000 3.215 335 G HA2 0.441 4.400 3.960 -0.002 0.000 0.236 335 G HA3 0.441 4.400 3.960 -0.002 0.000 0.236 335 G C -0.052 174.890 174.900 0.070 0.000 1.029 335 G CA 0.416 45.563 45.100 0.079 0.000 0.909 335 G HN 0.269 nan 8.290 nan 0.000 0.543 336 A N 1.478 124.350 122.820 0.085 0.000 2.324 336 A HA 0.814 5.133 4.320 -0.002 0.000 0.330 336 A C -2.575 175.164 177.584 0.258 0.000 1.165 336 A CA -1.565 50.561 52.037 0.148 0.000 0.813 336 A CB 1.373 20.440 19.000 0.112 0.000 1.197 336 A HN 0.056 nan 8.150 nan 0.000 0.484 337 P HA 0.323 nan 4.420 nan 0.000 0.271 337 P C 0.776 178.136 177.300 0.100 0.000 1.216 337 P CA 1.275 64.446 63.100 0.119 0.000 0.776 337 P CB 1.212 32.951 31.700 0.064 0.000 0.881 338 G N 1.451 110.255 108.800 0.006 0.000 2.195 338 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.224 338 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.224 338 G C -0.320 174.366 174.900 -0.356 0.000 0.990 338 G CA -0.487 44.500 45.100 -0.188 0.000 0.639 338 G HN 0.428 nan 8.290 nan 0.000 0.514 339 F N 1.785 121.649 119.950 -0.142 0.000 2.443 339 F HA 0.769 5.295 4.527 -0.002 0.000 0.335 339 F C 0.583 176.338 175.800 -0.076 0.000 1.104 339 F CA -0.503 57.353 58.000 -0.239 0.000 1.013 339 F CB 2.381 41.263 39.000 -0.196 0.000 1.136 339 F HN 0.048 nan 8.300 nan 0.000 0.470 340 S N 1.410 117.184 115.700 0.123 0.000 2.556 340 S HA 0.283 4.751 4.470 -0.002 0.000 0.271 340 S C 0.529 175.302 174.600 0.289 0.000 1.135 340 S CA -1.126 57.176 58.200 0.170 0.000 0.858 340 S CB 2.335 65.571 63.200 0.060 0.000 1.114 340 S HN 0.705 nan 8.310 nan 0.000 0.468 341 K N 0.493 121.012 120.400 0.198 0.000 2.097 341 K HA -0.068 4.251 4.320 -0.002 0.000 0.205 341 K C -0.101 176.547 176.600 0.081 0.000 1.050 341 K CA 1.427 57.756 56.287 0.071 0.000 0.938 341 K CB 0.011 32.251 32.500 -0.434 0.000 0.718 341 K HN 0.473 nan 8.250 nan 0.000 0.442 342 D N 0.168 120.592 120.400 0.039 0.000 2.363 342 D HA 0.012 4.651 4.640 -0.002 0.000 0.214 342 D C 0.239 176.566 176.300 0.046 0.000 1.093 342 D CA 0.104 54.111 54.000 0.012 0.000 0.837 342 D CB 0.757 41.535 40.800 -0.038 0.000 0.948 342 D HN 0.173 nan 8.370 nan 0.000 0.507 343 S N -0.903 114.838 115.700 0.068 0.000 2.766 343 S HA 0.352 4.821 4.470 -0.002 0.000 0.307 343 S C 0.864 175.487 174.600 0.037 0.000 1.121 343 S CA -0.687 57.524 58.200 0.018 0.000 0.980 343 S CB 2.317 65.481 63.200 -0.060 0.000 1.159 343 S HN -0.143 nan 8.310 nan 0.000 0.546 344 E N 0.360 120.538 120.200 -0.037 0.000 2.427 344 E HA 0.090 4.439 4.350 -0.002 0.000 0.196 344 E C -0.494 175.876 176.600 -0.384 0.000 1.028 344 E CA 0.283 56.654 56.400 -0.049 0.000 0.864 344 E CB -0.130 29.558 29.700 -0.020 0.000 0.813 344 E HN 0.707 nan 8.360 nan 0.000 0.514 345 S N 1.326 116.727 115.700 -0.498 0.000 3.608 345 S HA -0.174 4.295 4.470 -0.002 0.000 0.382 345 S C -0.416 173.810 174.600 -0.623 0.000 0.945 345 S CA 0.655 58.419 58.200 -0.727 0.000 1.256 345 S CB -1.131 61.275 63.200 -1.324 0.000 0.913 345 S HN 0.251 nan 8.310 nan 0.000 0.518 346 K N 1.057 121.228 120.400 -0.381 0.000 2.322 346 K HA 0.407 4.725 4.320 -0.002 0.000 0.283 346 K C 0.226 176.632 176.600 -0.323 0.000 1.042 346 K CA -0.308 55.809 56.287 -0.284 0.000 0.958 346 K CB 0.545 32.942 32.500 -0.171 0.000 0.984 346 K HN 0.205 nan 8.250 nan 0.000 0.473 347 I N 2.750 123.143 120.570 -0.295 0.000 2.377 347 I HA 0.090 4.259 4.170 -0.002 0.000 0.293 347 I C 0.770 176.803 176.117 -0.139 0.000 0.987 347 I CA -0.415 60.718 61.300 -0.278 0.000 1.185 347 I CB 1.358 39.175 38.000 -0.305 0.000 1.341 347 I HN 0.715 nan 8.210 nan 0.000 0.455 348 S N 7.030 122.666 115.700 -0.107 0.000 2.596 348 S HA 0.283 4.752 4.470 -0.002 0.000 0.260 348 S C 1.283 175.879 174.600 -0.006 0.000 1.336 348 S CA -0.559 57.605 58.200 -0.060 0.000 0.993 348 S CB 1.035 64.209 63.200 -0.044 0.000 0.923 348 S HN 0.468 nan 8.310 nan 0.000 0.567 349 R N 1.071 121.563 120.500 -0.014 0.000 2.096 349 R HA -0.086 4.252 4.340 -0.002 0.000 0.235 349 R C 2.336 178.704 176.300 0.114 0.000 1.127 349 R CA 1.751 57.870 56.100 0.032 0.000 0.968 349 R CB -1.212 29.091 30.300 0.005 0.000 0.861 349 R HN 0.968 nan 8.270 nan 0.000 0.440 350 E N 0.967 121.208 120.200 0.067 0.000 2.051 350 E HA -0.191 4.158 4.350 -0.002 0.000 0.192 350 E C 0.762 177.408 176.600 0.076 0.000 0.991 350 E CA 1.426 57.866 56.400 0.068 0.000 0.799 350 E CB 0.016 29.738 29.700 0.036 0.000 0.748 350 E HN 0.163 nan 8.360 nan 0.000 0.449 351 D N -0.215 120.220 120.400 0.059 0.000 2.264 351 D HA -0.112 4.527 4.640 -0.002 0.000 0.208 351 D C 1.571 177.943 176.300 0.120 0.000 0.966 351 D CA 0.509 54.543 54.000 0.057 0.000 0.864 351 D CB -0.296 40.495 40.800 -0.016 0.000 0.933 351 D HN 0.237 nan 8.370 nan 0.000 0.499 352 F N 0.917 120.868 119.950 0.001 0.000 2.163 352 F HA -0.059 4.466 4.527 -0.002 0.000 0.297 352 F C 2.250 178.079 175.800 0.048 0.000 1.094 352 F CA 1.128 59.144 58.000 0.027 0.000 1.290 352 F CB -0.094 38.901 39.000 -0.008 0.000 1.017 352 F HN -0.179 nan 8.300 nan 0.000 0.483 353 M N -0.848 118.854 119.600 0.170 0.000 2.254 353 M HA -0.153 4.326 4.480 -0.002 0.000 0.265 353 M C 2.216 178.520 176.300 0.007 0.000 1.066 353 M CA 1.303 56.654 55.300 0.085 0.000 1.123 353 M CB -0.490 32.200 32.600 0.149 0.000 1.388 353 M HN 0.028 nan 8.290 nan 0.000 0.425 354 S N 0.727 116.444 115.700 0.029 0.000 2.368 354 S HA -0.085 4.383 4.470 -0.002 0.000 0.225 354 S C 2.019 176.615 174.600 -0.008 0.000 1.030 354 S CA 1.446 59.657 58.200 0.018 0.000 0.999 354 S CB -0.720 62.503 63.200 0.040 0.000 0.844 354 S HN 0.684 nan 8.310 nan 0.000 0.459 355 G N 1.626 110.408 108.800 -0.031 0.000 2.402 355 G HA2 -0.171 3.787 3.960 -0.002 0.000 0.216 355 G HA3 -0.171 3.787 3.960 -0.002 0.000 0.216 355 G C 1.668 176.488 174.900 -0.134 0.000 1.162 355 G CA 1.091 46.160 45.100 -0.051 0.000 0.777 355 G HN 0.534 nan 8.290 nan 0.000 0.539 356 V N 0.211 119.978 119.914 -0.245 0.000 2.343 356 V HA -0.076 4.043 4.120 -0.002 0.000 0.247 356 V C 2.512 178.545 176.094 -0.102 0.000 1.051 356 V CA 2.706 64.884 62.300 -0.202 0.000 1.036 356 V CB -0.595 31.095 31.823 -0.221 0.000 0.654 356 V HN 0.303 nan 8.190 nan 0.000 0.451 357 K N 0.109 120.463 120.400 -0.076 0.000 2.032 357 K HA -0.111 4.207 4.320 -0.002 0.000 0.209 357 K C 1.941 178.511 176.600 -0.050 0.000 1.048 357 K CA 2.048 58.299 56.287 -0.059 0.000 0.927 357 K CB -0.706 31.775 32.500 -0.031 0.000 0.712 357 K HN 0.435 nan 8.250 nan 0.000 0.441 358 L N 0.848 122.058 121.223 -0.021 0.000 2.083 358 L HA -0.092 4.247 4.340 -0.002 0.000 0.209 358 L C 2.093 178.973 176.870 0.016 0.000 1.083 358 L CA 1.754 56.599 54.840 0.009 0.000 0.752 358 L CB -1.018 41.054 42.059 0.022 0.000 0.899 358 L HN 0.186 nan 8.230 nan 0.000 0.433 359 S N -1.659 114.035 115.700 -0.008 0.000 2.461 359 S HA 0.047 4.516 4.470 -0.002 0.000 0.228 359 S C 0.951 175.561 174.600 0.016 0.000 1.005 359 S CA 0.268 58.476 58.200 0.014 0.000 0.942 359 S CB 0.254 63.439 63.200 -0.025 0.000 0.776 359 S HN 0.181 nan 8.310 nan 0.000 0.514 360 V N 2.737 122.609 119.914 -0.071 0.000 2.468 360 V HA 0.219 4.337 4.120 -0.002 0.000 0.256 360 V C -1.998 173.904 176.094 -0.319 0.000 0.998 360 V CA -1.329 60.833 62.300 -0.230 0.000 1.114 360 V CB 0.831 32.496 31.823 -0.264 0.000 1.378 360 V HN 0.125 nan 8.190 nan 0.000 0.573 361 P HA -0.170 nan 4.420 nan 0.000 0.219 361 P C 1.126 177.987 177.300 -0.732 0.000 1.146 361 P CA 1.461 64.375 63.100 -0.311 0.000 0.808 361 P CB -0.014 31.633 31.700 -0.088 0.000 0.779 362 H N -1.151 117.570 119.070 -0.582 0.000 2.533 362 H HA 0.486 5.041 4.556 -0.002 0.000 0.271 362 H C 0.250 175.401 175.328 -0.295 0.000 1.000 362 H CA -0.279 55.440 56.048 -0.549 0.000 1.149 362 H CB -0.455 29.165 29.762 -0.237 0.000 1.375 362 H HN -0.041 nan 8.280 nan 0.000 0.582 363 A N 2.249 124.756 122.820 -0.522 0.000 2.301 363 A HA 0.309 4.628 4.320 -0.002 0.000 0.312 363 A C 0.240 177.698 177.584 -0.210 0.000 1.182 363 A CA -0.768 51.062 52.037 -0.344 0.000 0.826 363 A CB 0.746 19.542 19.000 -0.339 0.000 1.134 363 A HN 0.597 nan 8.150 nan 0.000 0.501 364 N N 1.613 120.228 118.700 -0.142 0.000 2.317 364 N HA 0.030 4.769 4.740 -0.002 0.000 0.245 364 N C 0.007 175.475 175.510 -0.070 0.000 1.294 364 N CA -0.203 52.794 53.050 -0.089 0.000 0.924 364 N CB 0.272 38.720 38.487 -0.065 0.000 1.186 364 N HN 0.495 nan 8.380 nan 0.000 0.495 365 D N -0.635 119.741 120.400 -0.041 0.000 2.149 365 D HA -0.142 4.497 4.640 -0.002 0.000 0.198 365 D C 1.725 178.022 176.300 -0.005 0.000 0.990 365 D CA 0.823 54.811 54.000 -0.019 0.000 0.839 365 D CB -0.215 40.582 40.800 -0.006 0.000 0.948 365 D HN 0.455 nan 8.370 nan 0.000 0.460 366 L N 1.037 122.254 121.223 -0.010 0.000 2.012 366 L HA -0.043 4.296 4.340 -0.002 0.000 0.210 366 L C 2.236 179.113 176.870 0.012 0.000 1.073 366 L CA 2.194 57.038 54.840 0.006 0.000 0.748 366 L CB -1.039 41.017 42.059 -0.006 0.000 0.891 366 L HN 0.059 nan 8.230 nan 0.000 0.431 367 G N -0.513 108.267 108.800 -0.033 0.000 2.440 367 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.218 367 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.218 367 G C 1.623 176.517 174.900 -0.009 0.000 1.154 367 G CA 1.093 46.161 45.100 -0.053 0.000 0.767 367 G HN 0.446 nan 8.290 nan 0.000 0.552 368 L N 0.472 121.682 121.223 -0.021 0.000 2.083 368 L HA -0.073 4.266 4.340 -0.002 0.000 0.209 368 L C 2.549 179.460 176.870 0.068 0.000 1.083 368 L CA 1.190 56.034 54.840 0.007 0.000 0.752 368 L CB -0.398 41.654 42.059 -0.011 0.000 0.899 368 L HN 0.114 nan 8.230 nan 0.000 0.433 369 D N 0.341 120.788 120.400 0.078 0.000 2.097 369 D HA -0.165 4.474 4.640 -0.002 0.000 0.195 369 D C 2.265 178.653 176.300 0.146 0.000 0.989 369 D CA 1.526 55.595 54.000 0.115 0.000 0.827 369 D CB -0.149 40.704 40.800 0.089 0.000 0.966 369 D HN 0.298 nan 8.370 nan 0.000 0.456 370 A N 0.865 123.786 122.820 0.169 0.000 1.892 370 A HA -0.200 4.119 4.320 -0.002 0.000 0.218 370 A C 2.580 180.291 177.584 0.212 0.000 1.188 370 A CA 1.764 53.966 52.037 0.275 0.000 0.631 370 A CB -0.902 18.359 19.000 0.435 0.000 0.822 370 A HN 0.162 nan 8.150 nan 0.000 0.447 371 V N -0.477 119.561 119.914 0.207 0.000 2.261 371 V HA -0.246 3.873 4.120 -0.002 0.000 0.246 371 V C 2.748 178.938 176.094 0.161 0.000 1.047 371 V CA 2.530 64.894 62.300 0.105 0.000 1.015 371 V CB -1.431 30.464 31.823 0.120 0.000 0.642 371 V HN 0.619 nan 8.190 nan 0.000 0.446 372 T N 0.649 115.327 114.554 0.206 0.000 2.665 372 T HA -0.233 4.115 4.350 -0.002 0.000 0.268 372 T C 1.907 176.775 174.700 0.280 0.000 1.035 372 T CA 2.038 64.330 62.100 0.320 0.000 1.151 372 T CB -0.438 68.622 68.868 0.319 0.000 0.862 372 T HN 0.280 nan 8.240 nan 0.000 0.438 373 L N 1.193 122.553 121.223 0.229 0.000 2.083 373 L HA -0.051 4.288 4.340 -0.002 0.000 0.209 373 L C 2.435 179.325 176.870 0.034 0.000 1.083 373 L CA 1.806 56.782 54.840 0.227 0.000 0.752 373 L CB -0.877 41.270 42.059 0.148 0.000 0.899 373 L HN 0.147 nan 8.230 nan 0.000 0.433 374 Q N -1.675 118.034 119.800 -0.152 0.000 2.224 374 Q HA -0.168 4.171 4.340 -0.002 0.000 0.203 374 Q C 1.082 176.795 176.000 -0.479 0.000 0.970 374 Q CA 1.725 57.251 55.803 -0.462 0.000 0.865 374 Q CB -0.137 27.955 28.738 -1.077 0.000 0.922 374 Q HN 0.680 nan 8.270 nan 0.000 0.445 375 Y N -1.474 118.776 120.300 -0.082 0.000 2.481 375 Y HA 0.330 4.879 4.550 -0.002 0.000 0.247 375 Y C -0.161 175.703 175.900 -0.061 0.000 1.151 375 Y CA -0.218 57.890 58.100 0.013 0.000 1.238 375 Y CB 1.083 39.652 38.460 0.181 0.000 1.179 375 Y HN -0.186 nan 8.280 nan 0.000 0.524 376 T N 0.906 115.406 114.554 -0.088 0.000 2.795 376 T HA 0.085 4.434 4.350 -0.002 0.000 0.282 376 T C -0.758 173.671 174.700 -0.453 0.000 0.980 376 T CA -0.591 61.238 62.100 -0.452 0.000 1.012 376 T CB 0.891 69.267 68.868 -0.820 0.000 0.936 376 T HN -0.016 nan 8.240 nan 0.000 0.457 377 D N 2.062 122.203 120.400 -0.431 0.000 2.393 377 D HA 0.108 4.747 4.640 -0.002 0.000 0.232 377 D C 0.039 176.112 176.300 -0.377 0.000 1.192 377 D CA -0.672 53.155 54.000 -0.287 0.000 0.882 377 D CB 0.341 41.029 40.800 -0.187 0.000 1.038 377 D HN 0.614 nan 8.370 nan 0.000 0.499 378 W N 2.945 124.209 121.300 -0.061 0.000 2.961 378 W HA 0.056 4.714 4.660 -0.002 0.000 0.240 378 W C 2.074 178.565 176.519 -0.046 0.000 1.305 378 W CA -0.224 57.088 57.345 -0.055 0.000 1.465 378 W CB -0.001 29.430 29.460 -0.047 0.000 1.135 378 W HN 0.443 nan 8.180 nan 0.000 0.688 379 M N -0.211 119.447 119.600 0.097 0.000 2.541 379 M HA -0.016 4.463 4.480 -0.002 0.000 0.252 379 M C -0.027 176.279 176.300 0.010 0.000 1.125 379 M CA 1.224 56.560 55.300 0.059 0.000 1.091 379 M CB 0.417 33.035 32.600 0.030 0.000 1.420 379 M HN -0.250 nan 8.290 nan 0.000 0.486 380 D N -0.324 120.045 120.400 -0.051 0.000 3.671 380 D HA -0.004 4.635 4.640 -0.002 0.000 0.291 380 D C -0.158 176.037 176.300 -0.174 0.000 1.373 380 D CA 0.085 54.034 54.000 -0.084 0.000 0.753 380 D CB 0.197 40.954 40.800 -0.072 0.000 1.338 380 D HN 0.365 nan 8.370 nan 0.000 0.690 381 D N -1.002 119.273 120.400 -0.210 0.000 2.347 381 D HA -0.054 4.584 4.640 -0.002 0.000 0.213 381 D C 0.484 176.603 176.300 -0.301 0.000 0.985 381 D CA 0.022 53.773 54.000 -0.415 0.000 0.879 381 D CB 0.221 40.659 40.800 -0.604 0.000 0.919 381 D HN 0.121 nan 8.370 nan 0.000 0.526 382 N N 0.741 119.340 118.700 -0.169 0.000 2.235 382 N HA -0.015 4.724 4.740 -0.002 0.000 0.209 382 N C -0.278 175.158 175.510 -0.123 0.000 1.122 382 N CA -0.152 52.821 53.050 -0.129 0.000 0.845 382 N CB 0.070 38.515 38.487 -0.070 0.000 1.004 382 N HN 0.351 nan 8.380 nan 0.000 0.499 383 N N 0.358 118.972 118.700 -0.142 0.000 2.406 383 N HA 0.042 4.781 4.740 -0.002 0.000 0.265 383 N C 1.558 176.993 175.510 -0.124 0.000 1.203 383 N CA -0.265 52.716 53.050 -0.114 0.000 0.945 383 N CB 0.591 39.015 38.487 -0.104 0.000 1.165 383 N HN 0.071 nan 8.380 nan 0.000 0.485 384 G N 4.480 113.217 108.800 -0.106 0.000 2.556 384 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.220 384 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.220 384 G C 1.338 176.180 174.900 -0.098 0.000 1.156 384 G CA 0.691 45.723 45.100 -0.113 0.000 0.766 384 G HN 0.636 nan 8.290 nan 0.000 0.583 385 I N 0.588 121.120 120.570 -0.063 0.000 2.252 385 I HA -0.092 4.076 4.170 -0.002 0.000 0.245 385 I C 2.656 178.777 176.117 0.008 0.000 1.102 385 I CA 1.341 62.631 61.300 -0.017 0.000 1.385 385 I CB -0.891 37.111 38.000 0.004 0.000 1.064 385 I HN 0.228 nan 8.210 nan 0.000 0.414 386 K N 0.769 121.152 120.400 -0.029 0.000 2.057 386 K HA -0.136 4.183 4.320 -0.002 0.000 0.206 386 K C 1.891 178.464 176.600 -0.044 0.000 1.050 386 K CA 1.205 57.472 56.287 -0.034 0.000 0.935 386 K CB -0.099 32.346 32.500 -0.092 0.000 0.715 386 K HN 0.307 nan 8.250 nan 0.000 0.439 387 N N 0.841 119.468 118.700 -0.122 0.000 2.084 387 N HA -0.196 4.542 4.740 -0.002 0.000 0.190 387 N C 1.719 177.358 175.510 0.214 0.000 1.030 387 N CA 0.988 53.979 53.050 -0.099 0.000 0.849 387 N CB -0.286 38.091 38.487 -0.184 0.000 1.012 387 N HN 0.168 nan 8.380 nan 0.000 0.423 388 R N 1.330 121.892 120.500 0.102 0.000 2.070 388 R HA -0.112 4.227 4.340 -0.002 0.000 0.233 388 R C 0.724 177.223 176.300 0.331 0.000 1.137 388 R CA 1.546 57.750 56.100 0.173 0.000 0.945 388 R CB -0.313 29.977 30.300 -0.016 0.000 0.845 388 R HN 0.117 nan 8.270 nan 0.000 0.430 389 D N -0.630 119.920 120.400 0.251 0.000 2.178 389 D HA -0.078 4.561 4.640 -0.002 0.000 0.201 389 D C 1.704 178.170 176.300 0.278 0.000 0.980 389 D CA 1.461 55.619 54.000 0.264 0.000 0.842 389 D CB -0.488 40.432 40.800 0.201 0.000 0.948 389 D HN 0.519 nan 8.370 nan 0.000 0.472 390 G N 0.464 109.444 108.800 0.301 0.000 2.403 390 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.216 390 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.216 390 G C 1.527 176.614 174.900 0.310 0.000 1.154 390 G CA 0.094 45.421 45.100 0.378 0.000 0.784 390 G HN 0.165 nan 8.290 nan 0.000 0.538 391 L N 1.204 122.644 121.223 0.361 0.000 2.046 391 L HA -0.021 4.317 4.340 -0.002 0.000 0.208 391 L C 2.284 179.214 176.870 0.100 0.000 1.077 391 L CA 1.828 56.746 54.840 0.130 0.000 0.747 391 L CB -0.657 41.550 42.059 0.247 0.000 0.896 391 L HN 0.168 nan 8.230 nan 0.000 0.432 392 D N -0.539 119.986 120.400 0.208 0.000 2.104 392 D HA -0.216 4.423 4.640 -0.002 0.000 0.194 392 D C 1.660 178.046 176.300 0.144 0.000 0.994 392 D CA 1.392 55.508 54.000 0.194 0.000 0.830 392 D CB 0.086 41.056 40.800 0.284 0.000 0.959 392 D HN 0.337 nan 8.370 nan 0.000 0.452 393 D N -0.122 120.374 120.400 0.160 0.000 2.117 393 D HA -0.094 4.545 4.640 -0.002 0.000 0.198 393 D C 2.358 178.663 176.300 0.009 0.000 0.982 393 D CA 0.353 54.455 54.000 0.170 0.000 0.828 393 D CB -0.242 40.754 40.800 0.326 0.000 0.967 393 D HN 0.357 nan 8.370 nan 0.000 0.464 394 I N 0.534 120.957 120.570 -0.245 0.000 2.127 394 I HA -0.270 3.898 4.170 -0.002 0.000 0.241 394 I C 2.457 178.452 176.117 -0.203 0.000 1.075 394 I CA 0.785 61.872 61.300 -0.355 0.000 1.334 394 I CB -0.218 37.555 38.000 -0.379 0.000 1.040 394 I HN -0.106 nan 8.210 nan 0.000 0.405 395 V N 0.899 120.743 119.914 -0.117 0.000 2.287 395 V HA -0.244 3.874 4.120 -0.002 0.000 0.248 395 V C 2.558 178.543 176.094 -0.181 0.000 1.053 395 V CA 2.263 64.502 62.300 -0.101 0.000 1.027 395 V CB -1.556 30.296 31.823 0.048 0.000 0.646 395 V HN 0.599 nan 8.190 nan 0.000 0.447 396 G N -0.327 108.440 108.800 -0.055 0.000 2.421 396 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.216 396 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.216 396 G C 1.236 176.075 174.900 -0.102 0.000 1.171 396 G CA 1.074 46.162 45.100 -0.020 0.000 0.775 396 G HN 0.506 nan 8.290 nan 0.000 0.543 397 D N -0.084 120.257 120.400 -0.098 0.000 2.078 397 D HA -0.102 4.536 4.640 -0.002 0.000 0.193 397 D C 2.121 178.128 176.300 -0.488 0.000 0.990 397 D CA 1.446 55.362 54.000 -0.139 0.000 0.827 397 D CB -0.678 40.201 40.800 0.131 0.000 0.975 397 D HN 0.395 nan 8.370 nan 0.000 0.451 398 H N 0.865 119.288 119.070 -1.078 0.000 2.352 398 H HA -0.021 4.534 4.556 -0.002 0.000 0.299 398 H C 1.527 176.457 175.328 -0.663 0.000 1.097 398 H CA 1.828 57.093 56.048 -1.305 0.000 1.311 398 H CB 0.021 28.803 29.762 -1.633 0.000 1.377 398 H HN 0.009 nan 8.280 nan 0.000 0.504 399 N N -0.941 117.309 118.700 -0.750 0.000 2.409 399 N HA 0.002 4.741 4.740 -0.002 0.000 0.174 399 N C 1.281 176.555 175.510 -0.393 0.000 1.037 399 N CA 1.090 53.640 53.050 -0.833 0.000 0.898 399 N CB 0.957 38.444 38.487 -1.666 0.000 1.010 399 N HN 0.275 nan 8.380 nan 0.000 0.445 400 V N 0.375 120.131 119.914 -0.264 0.000 3.161 400 V HA 0.170 4.288 4.120 -0.002 0.000 0.221 400 V C 2.049 178.131 176.094 -0.019 0.000 1.296 400 V CA 0.012 62.292 62.300 -0.034 0.000 1.306 400 V CB 0.193 32.063 31.823 0.077 0.000 1.171 400 V HN -0.050 nan 8.190 nan 0.000 0.513 401 I N 0.462 121.027 120.570 -0.008 0.000 2.133 401 I HA -0.248 3.921 4.170 -0.002 0.000 0.238 401 I C 2.503 178.637 176.117 0.027 0.000 1.074 401 I CA 1.829 63.153 61.300 0.040 0.000 1.342 401 I CB -0.397 37.663 38.000 0.100 0.000 1.053 401 I HN 0.370 nan 8.210 nan 0.000 0.404 402 c N 0.583 119.188 118.600 0.007 0.000 2.457 402 c HA -0.002 4.567 4.570 -0.002 0.000 0.278 402 c C 0.170 174.292 174.090 0.053 0.000 1.309 402 c CA 0.454 56.827 56.329 0.073 0.000 1.735 402 c CB -1.781 40.817 42.510 0.146 0.000 1.992 402 c HN 0.352 nan 8.230 nan 0.000 0.493 403 P HA -0.114 nan 4.420 nan 0.000 0.216 403 P C 1.727 179.054 177.300 0.044 0.000 1.150 403 P CA 1.144 64.222 63.100 -0.036 0.000 0.837 403 P CB -0.173 31.420 31.700 -0.178 0.000 0.786 404 L N -1.933 119.299 121.223 0.015 0.000 2.093 404 L HA -0.109 4.229 4.340 -0.002 0.000 0.208 404 L C 2.078 178.995 176.870 0.078 0.000 1.085 404 L CA 1.593 56.453 54.840 0.033 0.000 0.755 404 L CB -0.554 41.499 42.059 -0.009 0.000 0.904 404 L HN -0.122 nan 8.230 nan 0.000 0.435 405 M N -1.133 118.509 119.600 0.071 0.000 2.229 405 M HA -0.201 4.278 4.480 -0.002 0.000 0.264 405 M C 2.195 178.570 176.300 0.125 0.000 1.063 405 M CA 1.578 56.922 55.300 0.073 0.000 1.114 405 M CB -1.464 31.192 32.600 0.093 0.000 1.387 405 M HN 0.453 nan 8.290 nan 0.000 0.420 406 H N -0.224 118.885 119.070 0.066 0.000 2.333 406 H HA -0.137 4.418 4.556 -0.002 0.000 0.302 406 H C 1.865 177.234 175.328 0.069 0.000 1.075 406 H CA 1.806 57.897 56.048 0.072 0.000 1.348 406 H CB -0.297 29.506 29.762 0.068 0.000 1.393 406 H HN 0.197 nan 8.280 nan 0.000 0.509 407 F N 0.370 120.295 119.950 -0.043 0.000 2.091 407 F HA -0.229 4.297 4.527 -0.002 0.000 0.299 407 F C 2.499 178.215 175.800 -0.140 0.000 1.103 407 F CA 1.703 59.624 58.000 -0.131 0.000 1.228 407 F CB -0.958 37.966 39.000 -0.128 0.000 0.984 407 F HN 0.168 nan 8.300 nan 0.000 0.477 408 V N 1.050 120.870 119.914 -0.156 0.000 2.343 408 V HA -0.279 3.839 4.120 -0.002 0.000 0.247 408 V C 2.224 178.150 176.094 -0.279 0.000 1.051 408 V CA 2.578 64.677 62.300 -0.335 0.000 1.036 408 V CB -0.652 30.881 31.823 -0.483 0.000 0.654 408 V HN 0.461 nan 8.190 nan 0.000 0.451 409 N N -0.014 118.608 118.700 -0.130 0.000 2.142 409 N HA -0.119 4.620 4.740 -0.002 0.000 0.186 409 N C 1.845 177.323 175.510 -0.052 0.000 1.023 409 N CA 1.391 54.458 53.050 0.028 0.000 0.852 409 N CB -0.242 38.302 38.487 0.095 0.000 0.998 409 N HN 0.468 nan 8.380 nan 0.000 0.424 410 K N 0.433 120.721 120.400 -0.186 0.000 2.057 410 K HA -0.118 4.201 4.320 -0.002 0.000 0.206 410 K C 2.001 178.565 176.600 -0.059 0.000 1.050 410 K CA 0.633 56.837 56.287 -0.139 0.000 0.935 410 K CB -0.667 31.677 32.500 -0.260 0.000 0.715 410 K HN 0.284 nan 8.250 nan 0.000 0.439 411 Y N 2.391 122.425 120.300 -0.443 0.000 2.145 411 Y HA -0.237 4.312 4.550 -0.002 0.000 0.286 411 Y C 2.307 178.170 175.900 -0.062 0.000 1.145 411 Y CA 2.006 59.818 58.100 -0.481 0.000 1.148 411 Y CB -0.424 37.395 38.460 -1.068 0.000 0.981 411 Y HN 0.021 nan 8.280 nan 0.000 0.507 412 T N 1.072 115.651 114.554 0.042 0.000 2.778 412 T HA -0.221 4.128 4.350 -0.002 0.000 0.269 412 T C 1.841 176.538 174.700 -0.006 0.000 1.050 412 T CA 1.529 63.684 62.100 0.091 0.000 1.137 412 T CB -0.195 68.809 68.868 0.227 0.000 0.860 412 T HN 0.253 nan 8.240 nan 0.000 0.468 413 K N 0.277 120.639 120.400 -0.063 0.000 2.059 413 K HA -0.111 4.208 4.320 -0.002 0.000 0.212 413 K C 1.621 177.957 176.600 -0.440 0.000 1.050 413 K CA 1.588 57.712 56.287 -0.273 0.000 0.927 413 K CB -0.358 31.917 32.500 -0.375 0.000 0.714 413 K HN 0.463 nan 8.250 nan 0.000 0.447 414 F N -0.475 119.408 119.950 -0.112 0.000 2.724 414 F HA 0.213 4.739 4.527 -0.002 0.000 0.306 414 F C 1.527 177.197 175.800 -0.217 0.000 1.100 414 F CA -0.299 57.595 58.000 -0.177 0.000 1.255 414 F CB 0.121 38.947 39.000 -0.289 0.000 1.072 414 F HN -0.086 nan 8.300 nan 0.000 0.589 415 G N -0.116 108.595 108.800 -0.148 0.000 2.588 415 G HA2 0.018 3.976 3.960 -0.002 0.000 0.281 415 G HA3 0.018 3.976 3.960 -0.002 0.000 0.281 415 G C 0.342 175.284 174.900 0.070 0.000 1.236 415 G CA -0.374 44.652 45.100 -0.123 0.000 0.969 415 G HN 0.223 nan 8.290 nan 0.000 0.504 416 N N -0.538 118.258 118.700 0.160 0.000 2.204 416 N HA 0.255 4.994 4.740 -0.002 0.000 0.219 416 N C 0.273 175.865 175.510 0.137 0.000 1.151 416 N CA 0.471 53.592 53.050 0.119 0.000 0.867 416 N CB 0.533 39.080 38.487 0.100 0.000 1.043 416 N HN 0.838 nan 8.380 nan 0.000 0.516 417 G N 0.042 108.944 108.800 0.171 0.000 2.238 417 G HA2 0.099 4.057 3.960 -0.002 0.000 0.276 417 G HA3 0.099 4.057 3.960 -0.002 0.000 0.276 417 G C -1.497 173.448 174.900 0.076 0.000 1.744 417 G CA -0.635 44.520 45.100 0.091 0.000 0.912 417 G HN -0.002 nan 8.290 nan 0.000 0.744 418 T N 1.694 116.167 114.554 -0.134 0.000 2.840 418 T HA 0.593 4.941 4.350 -0.002 0.000 0.287 418 T C -1.199 173.244 174.700 -0.429 0.000 0.991 418 T CA -0.281 61.737 62.100 -0.138 0.000 0.964 418 T CB 0.990 69.838 68.868 -0.034 0.000 0.954 418 T HN 0.394 nan 8.240 nan 0.000 0.438 419 Y N 2.501 122.688 120.300 -0.188 0.000 2.328 419 Y HA 0.650 5.198 4.550 -0.002 0.000 0.337 419 Y C -0.242 175.701 175.900 0.071 0.000 0.966 419 Y CA -1.182 56.729 58.100 -0.316 0.000 1.136 419 Y CB 1.307 39.089 38.460 -1.129 0.000 1.170 419 Y HN 0.453 nan 8.280 nan 0.000 0.470 420 L N 6.197 127.815 121.223 0.658 0.000 2.329 420 L HA 0.605 4.944 4.340 -0.002 0.000 0.279 420 L C -1.200 176.161 176.870 0.818 0.000 1.014 420 L CA -0.964 54.228 54.840 0.585 0.000 0.814 420 L CB 0.721 42.972 42.059 0.320 0.000 1.257 420 L HN 0.555 nan 8.230 nan 0.000 0.424 421 Y N 3.073 123.703 120.300 0.549 0.000 2.602 421 Y HA 0.743 5.292 4.550 -0.002 0.000 0.342 421 Y C -1.715 174.467 175.900 0.470 0.000 1.029 421 Y CA -1.724 56.627 58.100 0.419 0.000 1.080 421 Y CB 1.409 40.059 38.460 0.317 0.000 1.284 421 Y HN 0.542 nan 8.280 nan 0.000 0.485 422 F N 3.960 124.227 119.950 0.529 0.000 2.577 422 F HA 0.452 4.978 4.527 -0.002 0.000 0.344 422 F C -1.954 174.153 175.800 0.512 0.000 1.145 422 F CA -1.686 56.559 58.000 0.409 0.000 0.996 422 F CB 0.840 40.044 39.000 0.340 0.000 1.248 422 F HN 0.579 nan 8.300 nan 0.000 0.447 423 F N 8.234 128.247 119.950 0.105 0.000 2.413 423 F HA 0.296 4.821 4.527 -0.002 0.000 0.359 423 F C 0.371 176.044 175.800 -0.212 0.000 1.122 423 F CA -0.256 57.772 58.000 0.046 0.000 1.160 423 F CB 0.563 39.670 39.000 0.179 0.000 1.146 423 F HN 0.558 nan 8.300 nan 0.000 0.514 424 N N 3.202 121.537 118.700 -0.609 0.000 2.241 424 N HA 0.042 4.781 4.740 -0.002 0.000 0.238 424 N C -0.826 174.420 175.510 -0.440 0.000 1.244 424 N CA -0.378 52.413 53.050 -0.432 0.000 0.880 424 N CB -0.713 37.701 38.487 -0.122 0.000 1.179 424 N HN 0.601 nan 8.380 nan 0.000 0.513 425 H N 1.288 119.786 119.070 -0.955 0.000 2.668 425 H HA 0.343 4.898 4.556 -0.002 0.000 0.303 425 H C -0.251 174.888 175.328 -0.314 0.000 1.074 425 H CA -0.349 55.331 56.048 -0.614 0.000 1.406 425 H CB 0.771 30.094 29.762 -0.731 0.000 1.442 425 H HN -0.014 nan 8.280 nan 0.000 0.482 426 R N 4.102 124.212 120.500 -0.650 0.000 2.216 426 R HA 0.404 4.743 4.340 -0.002 0.000 0.332 426 R C -0.582 175.456 176.300 -0.437 0.000 1.056 426 R CA -0.520 55.372 56.100 -0.346 0.000 0.901 426 R CB 0.265 30.451 30.300 -0.190 0.000 1.039 426 R HN 0.829 nan 8.270 nan 0.000 0.456 427 A N 2.911 125.767 122.820 0.060 0.000 2.540 427 A HA -0.002 4.317 4.320 -0.002 0.000 0.239 427 A C 1.399 179.062 177.584 0.131 0.000 1.061 427 A CA 0.478 52.719 52.037 0.341 0.000 0.758 427 A CB 0.349 19.695 19.000 0.577 0.000 0.991 427 A HN 0.971 nan 8.150 nan 0.000 0.502 428 S N 1.622 117.433 115.700 0.185 0.000 2.442 428 S HA -0.177 4.291 4.470 -0.002 0.000 0.236 428 S C 0.831 175.419 174.600 -0.020 0.000 1.007 428 S CA 1.267 59.511 58.200 0.073 0.000 0.965 428 S CB -0.459 62.810 63.200 0.114 0.000 0.773 428 S HN 0.922 nan 8.310 nan 0.000 0.504 429 N N 0.653 119.294 118.700 -0.099 0.000 2.273 429 N HA 0.263 5.002 4.740 -0.002 0.000 0.231 429 N C -0.297 175.130 175.510 -0.138 0.000 1.134 429 N CA -0.359 52.583 53.050 -0.180 0.000 0.856 429 N CB -0.416 37.845 38.487 -0.377 0.000 1.068 429 N HN 0.397 nan 8.380 nan 0.000 0.510 430 L N 1.350 122.535 121.223 -0.062 0.000 2.410 430 L HA 0.084 4.423 4.340 -0.002 0.000 0.273 430 L C 1.352 178.174 176.870 -0.080 0.000 1.152 430 L CA -0.353 54.459 54.840 -0.046 0.000 0.855 430 L CB 1.160 43.206 42.059 -0.022 0.000 1.129 430 L HN 0.132 nan 8.230 nan 0.000 0.463 431 V N 0.174 119.999 119.914 -0.149 0.000 3.354 431 V HA 0.054 4.173 4.120 -0.002 0.000 0.258 431 V C 0.540 176.575 176.094 -0.099 0.000 1.159 431 V CA -0.446 61.746 62.300 -0.182 0.000 1.125 431 V CB -0.812 30.776 31.823 -0.390 0.000 0.774 431 V HN 0.613 nan 8.190 nan 0.000 0.464 432 W N 2.101 123.393 121.300 -0.013 0.000 2.184 432 W HA 0.495 5.154 4.660 -0.002 0.000 0.338 432 W C -1.692 174.708 176.519 -0.198 0.000 1.257 432 W CA -1.996 55.287 57.345 -0.104 0.000 1.243 432 W CB -0.052 29.245 29.460 -0.272 0.000 1.122 432 W HN 0.023 nan 8.180 nan 0.000 0.585 433 P HA -0.029 nan 4.420 nan 0.000 0.272 433 P C 0.234 177.437 177.300 -0.162 0.000 1.240 433 P CA 0.151 63.208 63.100 -0.072 0.000 0.791 433 P CB 1.034 32.728 31.700 -0.011 0.000 0.978 434 E N 0.933 121.110 120.200 -0.039 0.000 2.118 434 E HA -0.167 4.182 4.350 -0.002 0.000 0.195 434 E C 1.756 178.353 176.600 -0.005 0.000 0.992 434 E CA 1.681 58.076 56.400 -0.007 0.000 0.804 434 E CB -0.674 29.062 29.700 0.061 0.000 0.741 434 E HN 0.616 nan 8.360 nan 0.000 0.458 435 W N -0.573 120.759 121.300 0.052 0.000 2.421 435 W HA -0.130 4.529 4.660 -0.002 0.000 0.270 435 W C 1.290 177.858 176.519 0.080 0.000 1.233 435 W CA 0.543 57.930 57.345 0.070 0.000 1.226 435 W CB -0.732 28.777 29.460 0.081 0.000 1.121 435 W HN 0.079 nan 8.180 nan 0.000 0.579 436 M N 1.109 120.318 119.600 -0.652 0.000 2.506 436 M HA 0.153 4.632 4.480 -0.002 0.000 0.260 436 M C 1.714 177.872 176.300 -0.237 0.000 1.104 436 M CA 1.529 56.401 55.300 -0.713 0.000 1.112 436 M CB -0.408 31.585 32.600 -1.012 0.000 1.401 436 M HN 0.176 nan 8.290 nan 0.000 0.473 437 G N 0.384 109.106 108.800 -0.129 0.000 2.531 437 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.274 437 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.274 437 G C -0.225 174.663 174.900 -0.021 0.000 1.159 437 G CA -0.294 44.790 45.100 -0.026 0.000 0.969 437 G HN 0.168 nan 8.290 nan 0.000 0.554 438 V N 2.057 121.989 119.914 0.030 0.000 2.313 438 V HA 0.385 4.504 4.120 -0.002 0.000 0.252 438 V C 1.080 177.274 176.094 0.167 0.000 1.112 438 V CA 0.019 62.375 62.300 0.094 0.000 0.984 438 V CB -0.118 31.733 31.823 0.047 0.000 1.157 438 V HN 0.518 nan 8.190 nan 0.000 0.493 439 I N 3.016 123.687 120.570 0.168 0.000 2.696 439 I HA 0.129 4.298 4.170 -0.002 0.000 0.284 439 I C 0.943 177.288 176.117 0.380 0.000 1.129 439 I CA -0.472 60.947 61.300 0.200 0.000 1.410 439 I CB 0.251 38.271 38.000 0.033 0.000 1.399 439 I HN 0.568 nan 8.210 nan 0.000 0.579 440 H N 4.582 123.784 119.070 0.220 0.000 3.167 440 H HA 0.123 4.678 4.556 -0.002 0.000 0.306 440 H C 0.993 176.381 175.328 0.100 0.000 0.965 440 H CA 1.152 57.293 56.048 0.154 0.000 1.408 440 H CB 0.150 29.974 29.762 0.104 0.000 1.406 440 H HN 0.765 nan 8.280 nan 0.000 0.576 441 G N 3.501 112.154 108.800 -0.245 0.000 2.213 441 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.236 441 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.236 441 G C 0.575 175.437 174.900 -0.063 0.000 0.991 441 G CA 0.334 45.256 45.100 -0.296 0.000 0.629 441 G HN 0.631 nan 8.290 nan 0.000 0.517 442 Y N 1.467 121.878 120.300 0.185 0.000 2.493 442 Y HA 0.260 4.809 4.550 -0.002 0.000 0.275 442 Y C 2.267 178.318 175.900 0.252 0.000 1.183 442 Y CA 0.875 59.168 58.100 0.322 0.000 1.258 442 Y CB 0.506 39.197 38.460 0.386 0.000 1.108 442 Y HN 0.483 nan 8.280 nan 0.000 0.521 443 E N 0.062 120.241 120.200 -0.035 0.000 2.340 443 E HA -0.054 4.295 4.350 -0.002 0.000 0.194 443 E C 1.644 178.175 176.600 -0.115 0.000 0.996 443 E CA 0.633 56.698 56.400 -0.558 0.000 0.869 443 E CB -0.359 28.692 29.700 -1.082 0.000 0.835 443 E HN 0.525 nan 8.360 nan 0.000 0.493 444 I N 2.766 123.363 120.570 0.044 0.000 2.151 444 I HA -0.317 3.852 4.170 -0.002 0.000 0.243 444 I C 2.666 178.848 176.117 0.109 0.000 1.080 444 I CA 2.213 63.600 61.300 0.145 0.000 1.339 444 I CB -0.512 37.623 38.000 0.225 0.000 1.039 444 I HN 0.236 nan 8.210 nan 0.000 0.409 445 E N 0.880 121.085 120.200 0.008 0.000 2.267 445 E HA -0.233 4.116 4.350 -0.002 0.000 0.197 445 E C 1.997 178.410 176.600 -0.312 0.000 0.998 445 E CA 1.431 57.743 56.400 -0.146 0.000 0.830 445 E CB -0.484 29.116 29.700 -0.168 0.000 0.751 445 E HN 0.450 nan 8.360 nan 0.000 0.491 446 F N 1.068 120.928 119.950 -0.150 0.000 2.234 446 F HA -0.034 4.492 4.527 -0.002 0.000 0.296 446 F C 2.372 177.992 175.800 -0.300 0.000 1.089 446 F CA 0.567 58.436 58.000 -0.219 0.000 1.343 446 F CB -0.152 38.760 39.000 -0.147 0.000 1.040 446 F HN -0.131 nan 8.300 nan 0.000 0.498 447 V N -0.992 118.824 119.914 -0.163 0.000 2.427 447 V HA -0.271 3.848 4.120 -0.002 0.000 0.248 447 V C 1.666 177.543 176.094 -0.362 0.000 1.051 447 V CA 1.671 63.727 62.300 -0.407 0.000 1.048 447 V CB -0.621 30.979 31.823 -0.371 0.000 0.666 447 V HN 0.220 nan 8.190 nan 0.000 0.456 448 F N 0.172 119.995 119.950 -0.213 0.000 2.765 448 F HA 0.421 4.947 4.527 -0.002 0.000 0.302 448 F C 1.791 177.502 175.800 -0.149 0.000 1.111 448 F CA 0.684 58.588 58.000 -0.160 0.000 1.359 448 F CB 0.024 38.910 39.000 -0.190 0.000 1.097 448 F HN 0.253 nan 8.300 nan 0.000 0.577 449 G N 0.199 108.911 108.800 -0.146 0.000 2.147 449 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.244 449 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.244 449 G C 1.097 175.672 174.900 -0.542 0.000 1.005 449 G CA 0.346 45.286 45.100 -0.266 0.000 0.713 449 G HN 0.226 nan 8.290 nan 0.000 0.515 450 L N -0.059 120.811 121.223 -0.588 0.000 2.081 450 L HA -0.076 4.263 4.340 -0.002 0.000 0.212 450 L C 0.348 176.728 176.870 -0.817 0.000 1.080 450 L CA 2.659 57.086 54.840 -0.689 0.000 0.754 450 L CB -2.107 39.685 42.059 -0.444 0.000 0.893 450 L HN 0.203 nan 8.230 nan 0.000 0.433 451 P HA -0.141 nan 4.420 nan 0.000 0.224 451 P C 1.948 178.976 177.300 -0.453 0.000 1.142 451 P CA 0.966 63.412 63.100 -1.090 0.000 0.778 451 P CB 0.004 31.078 31.700 -1.043 0.000 0.764 452 L N -1.646 119.326 121.223 -0.418 0.000 2.313 452 L HA 0.014 4.353 4.340 -0.002 0.000 0.214 452 L C 1.230 177.969 176.870 -0.219 0.000 1.119 452 L CA 0.392 55.075 54.840 -0.261 0.000 0.809 452 L CB -0.582 41.353 42.059 -0.206 0.000 0.933 452 L HN -0.104 nan 8.230 nan 0.000 0.449 453 V N 1.611 121.343 119.914 -0.302 0.000 2.370 453 V HA 0.075 4.193 4.120 -0.002 0.000 0.257 453 V C 1.451 177.496 176.094 -0.081 0.000 1.064 453 V CA -0.507 61.682 62.300 -0.185 0.000 0.975 453 V CB 0.571 32.250 31.823 -0.239 0.000 1.067 453 V HN 0.209 nan 8.190 nan 0.000 0.485 454 K N 4.437 124.807 120.400 -0.050 0.000 2.097 454 K HA -0.251 4.068 4.320 -0.002 0.000 0.214 454 K C 1.556 178.146 176.600 -0.016 0.000 1.052 454 K CA 2.274 58.549 56.287 -0.020 0.000 0.932 454 K CB -0.213 32.275 32.500 -0.020 0.000 0.716 454 K HN 0.846 nan 8.250 nan 0.000 0.455 455 E N 0.614 120.798 120.200 -0.028 0.000 2.333 455 E HA -0.077 4.271 4.350 -0.002 0.000 0.198 455 E C 1.803 178.377 176.600 -0.043 0.000 1.007 455 E CA 0.502 56.881 56.400 -0.034 0.000 0.845 455 E CB -0.203 29.475 29.700 -0.036 0.000 0.766 455 E HN 0.303 nan 8.360 nan 0.000 0.507 456 L N -0.403 120.807 121.223 -0.023 0.000 2.567 456 L HA 0.161 4.500 4.340 -0.002 0.000 0.225 456 L C -0.020 176.773 176.870 -0.128 0.000 1.119 456 L CA 0.119 54.938 54.840 -0.035 0.000 0.871 456 L CB -0.277 41.828 42.059 0.076 0.000 1.036 456 L HN 0.190 nan 8.230 nan 0.000 0.459 457 N N -1.734 116.932 118.700 -0.056 0.000 2.920 457 N HA -0.183 4.556 4.740 -0.002 0.000 0.247 457 N C -0.715 174.703 175.510 -0.153 0.000 1.123 457 N CA -0.019 52.967 53.050 -0.108 0.000 0.711 457 N CB -1.008 37.383 38.487 -0.161 0.000 1.065 457 N HN 0.210 nan 8.380 nan 0.000 0.554 458 Y N 0.858 121.128 120.300 -0.049 0.000 2.326 458 Y HA 0.304 4.853 4.550 -0.002 0.000 0.324 458 Y C 1.712 177.616 175.900 0.007 0.000 1.291 458 Y CA -0.009 58.083 58.100 -0.014 0.000 1.348 458 Y CB 0.604 39.027 38.460 -0.062 0.000 1.294 458 Y HN 0.013 nan 8.280 nan 0.000 0.525 459 T N -1.885 112.799 114.554 0.218 0.000 2.754 459 T HA 0.369 4.718 4.350 -0.002 0.000 0.286 459 T C 1.214 175.977 174.700 0.104 0.000 0.997 459 T CA -0.245 61.934 62.100 0.132 0.000 0.982 459 T CB 1.007 69.953 68.868 0.129 0.000 1.027 459 T HN 0.761 nan 8.240 nan 0.000 0.529 460 A N 0.861 123.717 122.820 0.060 0.000 1.969 460 A HA -0.068 4.251 4.320 -0.002 0.000 0.218 460 A C 2.332 179.932 177.584 0.026 0.000 1.169 460 A CA 1.278 53.334 52.037 0.032 0.000 0.635 460 A CB -0.729 18.283 19.000 0.019 0.000 0.810 460 A HN 0.939 nan 8.150 nan 0.000 0.445 461 E N 0.634 120.854 120.200 0.033 0.000 2.208 461 E HA -0.179 4.170 4.350 -0.002 0.000 0.193 461 E C 1.424 178.024 176.600 0.001 0.000 0.988 461 E CA 1.168 57.570 56.400 0.004 0.000 0.828 461 E CB -0.629 29.066 29.700 -0.009 0.000 0.763 461 E HN 0.770 nan 8.360 nan 0.000 0.478 462 E N 1.150 121.397 120.200 0.079 0.000 2.110 462 E HA -0.182 4.166 4.350 -0.002 0.000 0.193 462 E C 2.075 178.743 176.600 0.112 0.000 0.988 462 E CA 1.063 57.593 56.400 0.215 0.000 0.804 462 E CB -0.050 29.898 29.700 0.413 0.000 0.745 462 E HN 0.404 nan 8.360 nan 0.000 0.458 463 E N 0.567 120.772 120.200 0.009 0.000 2.106 463 E HA -0.178 4.171 4.350 -0.002 0.000 0.192 463 E C 2.023 178.598 176.600 -0.041 0.000 0.984 463 E CA 0.862 57.223 56.400 -0.065 0.000 0.806 463 E CB -0.004 29.662 29.700 -0.057 0.000 0.750 463 E HN 0.209 nan 8.360 nan 0.000 0.458 464 A N 1.156 123.963 122.820 -0.021 0.000 1.898 464 A HA -0.155 4.164 4.320 -0.002 0.000 0.216 464 A C 2.129 179.690 177.584 -0.037 0.000 1.181 464 A CA 1.207 53.222 52.037 -0.036 0.000 0.620 464 A CB -0.644 18.336 19.000 -0.034 0.000 0.819 464 A HN 0.373 nan 8.150 nan 0.000 0.442 465 L N -0.181 121.034 121.223 -0.013 0.000 2.046 465 L HA -0.110 4.228 4.340 -0.002 0.000 0.208 465 L C 2.542 179.446 176.870 0.057 0.000 1.077 465 L CA 2.600 57.434 54.840 -0.010 0.000 0.747 465 L CB -0.851 41.160 42.059 -0.080 0.000 0.896 465 L HN 0.332 nan 8.230 nan 0.000 0.432 466 S N -0.677 115.115 115.700 0.153 0.000 2.365 466 S HA -0.238 4.231 4.470 -0.002 0.000 0.225 466 S C 2.188 176.751 174.600 -0.062 0.000 1.039 466 S CA 1.581 59.821 58.200 0.067 0.000 1.033 466 S CB -0.237 62.899 63.200 -0.106 0.000 0.887 466 S HN 0.543 nan 8.310 nan 0.000 0.447 467 R N 0.206 120.663 120.500 -0.072 0.000 2.081 467 R HA 0.013 4.352 4.340 -0.002 0.000 0.235 467 R C 2.753 178.993 176.300 -0.101 0.000 1.131 467 R CA 1.422 57.471 56.100 -0.084 0.000 0.960 467 R CB -0.292 29.958 30.300 -0.084 0.000 0.856 467 R HN 0.391 nan 8.270 nan 0.000 0.436 468 R N 0.252 120.665 120.500 -0.145 0.000 2.080 468 R HA -0.136 4.203 4.340 -0.002 0.000 0.236 468 R C 2.218 178.315 176.300 -0.338 0.000 1.137 468 R CA 1.423 57.343 56.100 -0.300 0.000 0.943 468 R CB -0.410 29.701 30.300 -0.315 0.000 0.846 468 R HN 0.078 nan 8.270 nan 0.000 0.431 469 I N 0.924 121.394 120.570 -0.168 0.000 2.163 469 I HA -0.287 3.882 4.170 -0.002 0.000 0.243 469 I C 2.337 178.363 176.117 -0.152 0.000 1.085 469 I CA 1.560 62.767 61.300 -0.155 0.000 1.347 469 I CB -0.731 37.028 38.000 -0.402 0.000 1.044 469 I HN 0.230 nan 8.210 nan 0.000 0.408 470 M N -1.202 118.302 119.600 -0.161 0.000 2.159 470 M HA -0.246 4.232 4.480 -0.002 0.000 0.263 470 M C 2.401 178.757 176.300 0.093 0.000 1.063 470 M CA 1.660 56.906 55.300 -0.090 0.000 1.110 470 M CB -0.657 31.892 32.600 -0.085 0.000 1.374 470 M HN 0.266 nan 8.290 nan 0.000 0.411 471 H N -0.446 118.612 119.070 -0.021 0.000 2.395 471 H HA -0.114 4.441 4.556 -0.002 0.000 0.299 471 H C 1.535 176.975 175.328 0.187 0.000 1.070 471 H CA 1.720 57.779 56.048 0.019 0.000 1.356 471 H CB 0.020 29.739 29.762 -0.071 0.000 1.401 471 H HN 0.253 nan 8.280 nan 0.000 0.524 472 Y N -0.769 119.669 120.300 0.229 0.000 2.145 472 Y HA -0.249 4.300 4.550 -0.002 0.000 0.286 472 Y C 2.539 178.650 175.900 0.352 0.000 1.145 472 Y CA 1.050 59.341 58.100 0.319 0.000 1.148 472 Y CB -1.083 37.763 38.460 0.642 0.000 0.981 472 Y HN 0.367 nan 8.280 nan 0.000 0.507 473 W N -0.698 120.707 121.300 0.176 0.000 2.358 473 W HA -0.171 4.488 4.660 -0.002 0.000 0.303 473 W C 2.495 179.017 176.519 0.006 0.000 1.208 473 W CA 1.068 58.446 57.345 0.055 0.000 1.274 473 W CB -0.314 29.105 29.460 -0.068 0.000 1.138 473 W HN 0.045 nan 8.180 nan 0.000 0.515 474 A N -0.296 122.637 122.820 0.187 0.000 1.930 474 A HA -0.097 4.222 4.320 -0.002 0.000 0.215 474 A C 1.807 179.375 177.584 -0.027 0.000 1.176 474 A CA 1.837 53.896 52.037 0.038 0.000 0.632 474 A CB -1.031 17.985 19.000 0.027 0.000 0.819 474 A HN 0.142 nan 8.150 nan 0.000 0.445 475 T N -0.549 113.951 114.554 -0.090 0.000 2.777 475 T HA -0.105 4.244 4.350 -0.002 0.000 0.266 475 T C 1.610 176.256 174.700 -0.089 0.000 1.040 475 T CA 1.477 63.489 62.100 -0.148 0.000 1.141 475 T CB -0.403 68.306 68.868 -0.264 0.000 0.868 475 T HN 0.488 nan 8.240 nan 0.000 0.444 476 F N 2.516 122.368 119.950 -0.163 0.000 2.095 476 F HA -0.058 4.468 4.527 -0.002 0.000 0.298 476 F C 2.431 178.144 175.800 -0.144 0.000 1.104 476 F CA 1.077 58.945 58.000 -0.219 0.000 1.232 476 F CB -0.691 38.119 39.000 -0.317 0.000 0.987 476 F HN 0.142 nan 8.300 nan 0.000 0.475 477 A N 0.530 123.231 122.820 -0.198 0.000 1.902 477 A HA -0.199 4.120 4.320 -0.002 0.000 0.217 477 A C 2.286 179.722 177.584 -0.246 0.000 1.181 477 A CA 1.899 53.794 52.037 -0.237 0.000 0.623 477 A CB -0.655 18.297 19.000 -0.080 0.000 0.818 477 A HN 0.488 nan 8.150 nan 0.000 0.443 478 K N -1.124 119.169 120.400 -0.177 0.000 2.031 478 K HA -0.090 4.229 4.320 -0.002 0.000 0.205 478 K C 2.043 178.546 176.600 -0.161 0.000 1.049 478 K CA 1.843 58.051 56.287 -0.132 0.000 0.939 478 K CB -0.260 32.189 32.500 -0.084 0.000 0.717 478 K HN 0.707 nan 8.250 nan 0.000 0.438 479 T N -4.246 110.185 114.554 -0.206 0.000 2.971 479 T HA 0.236 4.584 4.350 -0.002 0.000 0.252 479 T C 1.261 175.824 174.700 -0.228 0.000 1.022 479 T CA 0.535 62.532 62.100 -0.171 0.000 0.980 479 T CB 0.964 69.765 68.868 -0.113 0.000 1.044 479 T HN 0.332 nan 8.240 nan 0.000 0.501 480 G N 1.418 109.949 108.800 -0.449 0.000 2.141 480 G HA2 -0.182 3.776 3.960 -0.002 0.000 0.231 480 G HA3 -0.182 3.776 3.960 -0.002 0.000 0.231 480 G C -0.202 174.606 174.900 -0.154 0.000 0.984 480 G CA -0.004 44.802 45.100 -0.490 0.000 0.660 480 G HN 0.833 nan 8.290 nan 0.000 0.525 481 N N -0.256 118.335 118.700 -0.182 0.000 2.478 481 N HA 0.444 5.182 4.740 -0.002 0.000 0.291 481 N C -1.689 173.664 175.510 -0.263 0.000 1.090 481 N CA -1.534 51.369 53.050 -0.244 0.000 0.911 481 N CB 2.423 40.861 38.487 -0.081 0.000 1.546 481 N HN -0.082 nan 8.380 nan 0.000 0.500 482 P HA -0.041 nan 4.420 nan 0.000 0.223 482 P C -0.421 176.925 177.300 0.076 0.000 1.151 482 P CA 0.709 63.700 63.100 -0.181 0.000 0.787 482 P CB 0.294 31.690 31.700 -0.507 0.000 0.788 483 N N 1.183 119.880 118.700 -0.006 0.000 2.518 483 N HA 0.120 4.859 4.740 -0.002 0.000 0.283 483 N C 0.462 176.027 175.510 0.092 0.000 1.119 483 N CA -0.028 53.103 53.050 0.135 0.000 0.983 483 N CB 1.366 39.931 38.487 0.130 0.000 1.139 483 N HN 0.194 nan 8.380 nan 0.000 0.465 491 K N 1.594 122.106 120.400 0.187 0.000 2.248 491 K HA 0.233 4.552 4.320 -0.002 0.000 0.281 491 K C -1.207 175.567 176.600 0.290 0.000 1.054 491 K CA -0.529 55.900 56.287 0.236 0.000 0.903 491 K CB 0.734 33.345 32.500 0.186 0.000 1.077 491 K HN 0.350 nan 8.250 nan 0.000 0.474 492 W N 7.708 129.067 121.300 0.098 0.000 2.605 492 W HA 0.103 4.762 4.660 -0.002 0.000 0.327 492 W C -2.303 174.337 176.519 0.201 0.000 1.332 492 W CA -2.498 54.900 57.345 0.088 0.000 1.403 492 W CB -0.088 29.326 29.460 -0.077 0.000 1.452 492 W HN 0.428 nan 8.180 nan 0.000 0.503 493 P HA -0.013 nan 4.420 nan 0.000 0.275 493 P C -0.268 177.217 177.300 0.308 0.000 1.227 493 P CA -0.480 62.837 63.100 0.361 0.000 0.781 493 P CB 1.245 33.078 31.700 0.223 0.000 0.906 494 L N 3.688 124.958 121.223 0.077 0.000 2.514 494 L HA 0.067 4.405 4.340 -0.002 0.000 0.280 494 L C 0.094 176.954 176.870 -0.016 0.000 1.223 494 L CA 0.091 54.795 54.840 -0.228 0.000 0.864 494 L CB -0.903 41.042 42.059 -0.189 0.000 1.118 494 L HN 0.255 nan 8.230 nan 0.000 0.494 495 F N 4.325 124.174 119.950 -0.168 0.000 2.445 495 F HA 0.459 4.985 4.527 -0.002 0.000 0.359 495 F C 0.336 176.110 175.800 -0.044 0.000 1.101 495 F CA -0.334 57.655 58.000 -0.017 0.000 1.177 495 F CB 0.438 39.459 39.000 0.034 0.000 1.110 495 F HN 0.628 nan 8.300 nan 0.000 0.522 496 T N 1.240 115.608 114.554 -0.310 0.000 2.924 496 T HA 0.261 4.610 4.350 -0.002 0.000 0.291 496 T C 0.981 175.492 174.700 -0.315 0.000 1.045 496 T CA -0.452 61.544 62.100 -0.174 0.000 1.015 496 T CB 1.482 70.277 68.868 -0.122 0.000 1.103 496 T HN 0.510 nan 8.240 nan 0.000 0.496 497 T N 1.153 115.649 114.554 -0.096 0.000 2.721 497 T HA -0.132 4.217 4.350 -0.002 0.000 0.268 497 T C 1.679 176.308 174.700 -0.118 0.000 1.038 497 T CA 1.621 63.683 62.100 -0.063 0.000 1.145 497 T CB -0.258 68.594 68.868 -0.028 0.000 0.858 497 T HN 0.636 nan 8.240 nan 0.000 0.459 498 K N 0.536 120.861 120.400 -0.124 0.000 2.029 498 K HA 0.048 4.367 4.320 -0.002 0.000 0.205 498 K C 2.415 178.943 176.600 -0.121 0.000 1.042 498 K CA 0.777 57.006 56.287 -0.096 0.000 0.949 498 K CB -0.042 32.417 32.500 -0.069 0.000 0.740 498 K HN 0.258 nan 8.250 nan 0.000 0.442 499 E N 1.155 121.262 120.200 -0.155 0.000 2.112 499 E HA -0.094 4.255 4.350 -0.002 0.000 0.190 499 E C 0.210 176.685 176.600 -0.209 0.000 0.979 499 E CA 0.368 56.684 56.400 -0.141 0.000 0.814 499 E CB -0.013 29.622 29.700 -0.108 0.000 0.762 499 E HN 0.259 nan 8.360 nan 0.000 0.460 500 Q N 0.564 120.077 119.800 -0.477 0.000 2.487 500 Q HA -0.179 4.160 4.340 -0.002 0.000 0.279 500 Q C -0.621 175.241 176.000 -0.229 0.000 1.228 500 Q CA 0.616 55.937 55.803 -0.803 0.000 0.873 500 Q CB -1.505 27.016 28.738 -0.361 0.000 1.260 500 Q HN 0.201 nan 8.270 nan 0.000 0.471 501 K N 0.510 120.841 120.400 -0.116 0.000 2.258 501 K HA 0.510 4.829 4.320 -0.002 0.000 0.264 501 K C 0.066 176.957 176.600 0.485 0.000 1.007 501 K CA 0.339 56.714 56.287 0.147 0.000 0.941 501 K CB 0.406 32.948 32.500 0.070 0.000 0.966 501 K HN 0.214 nan 8.250 nan 0.000 0.480 502 F N -0.503 119.610 119.950 0.273 0.000 2.686 502 F HA 0.583 5.108 4.527 -0.002 0.000 0.311 502 F C -1.074 174.840 175.800 0.191 0.000 1.128 502 F CA -1.538 56.666 58.000 0.340 0.000 0.946 502 F CB 0.713 39.929 39.000 0.359 0.000 1.336 502 F HN 0.416 nan 8.300 nan 0.000 0.457 503 I N -0.758 119.932 120.570 0.199 0.000 2.797 503 I HA 0.649 4.818 4.170 -0.002 0.000 0.307 503 I C -1.038 175.210 176.117 0.219 0.000 1.033 503 I CA -0.792 60.457 61.300 -0.085 0.000 1.071 503 I CB 1.887 39.602 38.000 -0.476 0.000 1.255 503 I HN 0.476 nan 8.210 nan 0.000 0.445 504 D N 3.109 123.626 120.400 0.195 0.000 2.312 504 D HA 0.460 5.098 4.640 -0.002 0.000 0.248 504 D C -0.962 175.434 176.300 0.160 0.000 1.086 504 D CA -0.036 54.175 54.000 0.352 0.000 0.948 504 D CB 2.219 43.221 40.800 0.336 0.000 1.162 504 D HN 0.248 nan 8.370 nan 0.000 0.446 505 L N 2.546 123.864 121.223 0.159 0.000 2.388 505 L HA 0.292 4.630 4.340 -0.002 0.000 0.267 505 L C -0.819 175.971 176.870 -0.133 0.000 0.995 505 L CA -0.428 54.457 54.840 0.074 0.000 0.864 505 L CB 0.152 42.359 42.059 0.246 0.000 1.216 505 L HN 0.502 nan 8.230 nan 0.000 0.430 506 N N -0.625 118.003 118.700 -0.120 0.000 3.179 506 N HA 0.261 5.000 4.740 -0.002 0.000 0.250 506 N C 0.341 175.744 175.510 -0.178 0.000 1.507 506 N CA -0.142 52.785 53.050 -0.206 0.000 0.883 506 N CB 0.456 38.877 38.487 -0.109 0.000 1.435 506 N HN 0.102 nan 8.380 nan 0.000 0.532 507 T N -3.354 111.056 114.554 -0.240 0.000 3.163 507 T HA 0.071 4.420 4.350 -0.002 0.000 0.260 507 T C -0.039 174.619 174.700 -0.069 0.000 1.156 507 T CA 0.624 62.611 62.100 -0.188 0.000 1.072 507 T CB -0.640 68.086 68.868 -0.236 0.000 0.937 507 T HN 0.547 nan 8.240 nan 0.000 0.528 508 E N 1.825 122.004 120.200 -0.035 0.000 2.250 508 E HA 0.404 4.753 4.350 -0.002 0.000 0.265 508 E C -2.636 173.965 176.600 0.001 0.000 1.033 508 E CA -2.728 53.670 56.400 -0.003 0.000 0.888 508 E CB 0.360 30.072 29.700 0.019 0.000 1.151 508 E HN 0.153 nan 8.360 nan 0.000 0.412 509 P HA -0.079 nan 4.420 nan 0.000 0.264 509 P C -0.379 176.925 177.300 0.006 0.000 1.193 509 P CA 0.318 63.424 63.100 0.010 0.000 0.763 509 P CB 0.360 32.066 31.700 0.010 0.000 0.810 510 M N 3.270 122.877 119.600 0.012 0.000 2.226 510 M HA -0.067 4.412 4.480 -0.002 0.000 0.352 510 M C -0.071 176.194 176.300 -0.058 0.000 1.226 510 M CA 1.257 56.553 55.300 -0.008 0.000 0.943 510 M CB 0.112 32.723 32.600 0.019 0.000 1.805 510 M HN 0.213 nan 8.290 nan 0.000 0.465 511 K N 4.066 124.393 120.400 -0.122 0.000 2.443 511 K HA 0.481 4.800 4.320 -0.002 0.000 0.252 511 K C -1.598 174.711 176.600 -0.486 0.000 0.933 511 K CA -0.711 55.409 56.287 -0.279 0.000 0.792 511 K CB 2.354 34.682 32.500 -0.286 0.000 1.185 511 K HN 0.503 nan 8.250 nan 0.000 0.425 512 V N 4.516 124.139 119.914 -0.484 0.000 2.481 512 V HA 0.329 4.448 4.120 -0.002 0.000 0.286 512 V C 0.073 175.725 176.094 -0.737 0.000 1.042 512 V CA -0.424 61.590 62.300 -0.476 0.000 0.928 512 V CB 1.082 32.783 31.823 -0.204 0.000 0.986 512 V HN 0.699 nan 8.190 nan 0.000 0.462 513 H N 3.113 121.824 119.070 -0.598 0.000 2.949 513 H HA 0.668 5.223 4.556 -0.002 0.000 0.310 513 H C -1.089 173.909 175.328 -0.550 0.000 1.405 513 H CA -0.873 54.788 56.048 -0.645 0.000 1.253 513 H CB 2.093 31.261 29.762 -0.990 0.000 1.932 513 H HN 0.562 nan 8.280 nan 0.000 0.602 514 Q N 0.069 119.859 119.800 -0.017 0.000 2.421 514 Q HA 0.392 4.731 4.340 -0.002 0.000 0.280 514 Q C -0.807 175.435 176.000 0.404 0.000 1.085 514 Q CA -0.965 54.965 55.803 0.211 0.000 0.807 514 Q CB 2.926 31.712 28.738 0.080 0.000 1.405 514 Q HN 0.453 nan 8.270 nan 0.000 0.419 515 R N 0.809 121.533 120.500 0.373 0.000 3.079 515 R HA -0.204 4.135 4.340 -0.002 0.000 0.254 515 R C -0.664 175.773 176.300 0.228 0.000 0.900 515 R CA -0.155 56.102 56.100 0.262 0.000 0.641 515 R CB -1.412 28.983 30.300 0.157 0.000 1.307 515 R HN 0.444 nan 8.270 nan 0.000 0.477 516 L N 2.450 123.712 121.223 0.064 0.000 2.700 516 L HA -0.050 4.288 4.340 -0.002 0.000 0.272 516 L C 0.789 177.591 176.870 -0.113 0.000 1.176 516 L CA 0.867 55.489 54.840 -0.364 0.000 0.961 516 L CB -0.289 41.260 42.059 -0.850 0.000 1.249 516 L HN 0.521 nan 8.230 nan 0.000 0.487 517 R N 1.941 122.397 120.500 -0.073 0.000 3.405 517 R HA -0.199 4.140 4.340 -0.002 0.000 0.258 517 R C 1.228 177.581 176.300 0.088 0.000 1.030 517 R CA 0.637 56.750 56.100 0.022 0.000 0.691 517 R CB -2.191 28.142 30.300 0.056 0.000 1.093 517 R HN 0.759 nan 8.270 nan 0.000 0.448 518 V N -3.219 116.747 119.914 0.087 0.000 2.343 518 V HA -0.325 3.794 4.120 -0.002 0.000 0.247 518 V C 2.261 178.425 176.094 0.117 0.000 1.051 518 V CA 2.069 64.436 62.300 0.112 0.000 1.036 518 V CB -0.462 31.422 31.823 0.101 0.000 0.654 518 V HN 0.292 nan 8.190 nan 0.000 0.451 519 Q N -0.055 119.795 119.800 0.082 0.000 2.062 519 Q HA -0.205 4.134 4.340 -0.002 0.000 0.209 519 Q C 2.182 178.242 176.000 0.101 0.000 0.996 519 Q CA 2.533 58.371 55.803 0.058 0.000 0.859 519 Q CB -0.452 28.289 28.738 0.005 0.000 0.920 519 Q HN 0.579 nan 8.270 nan 0.000 0.415 520 M N -1.255 118.429 119.600 0.140 0.000 2.175 520 M HA -0.123 4.356 4.480 -0.002 0.000 0.264 520 M C 2.349 178.939 176.300 0.484 0.000 1.063 520 M CA 0.954 56.421 55.300 0.277 0.000 1.119 520 M CB -1.166 31.661 32.600 0.377 0.000 1.377 520 M HN 0.325 nan 8.290 nan 0.000 0.415 521 c N -0.518 118.308 118.600 0.376 0.000 2.468 521 c HA 0.016 4.584 4.570 -0.002 0.000 0.277 521 c C 2.916 177.190 174.090 0.308 0.000 1.400 521 c CA 0.060 56.618 56.329 0.382 0.000 1.770 521 c CB -0.796 41.872 42.510 0.262 0.000 1.905 521 c HN 0.311 nan 8.230 nan 0.000 0.519 522 V N 0.649 120.710 119.914 0.245 0.000 2.427 522 V HA -0.218 3.901 4.120 -0.002 0.000 0.248 522 V C 2.069 178.293 176.094 0.217 0.000 1.051 522 V CA 2.153 64.572 62.300 0.198 0.000 1.048 522 V CB -0.790 31.123 31.823 0.149 0.000 0.666 522 V HN 0.557 nan 8.190 nan 0.000 0.456 523 F N -0.048 119.954 119.950 0.087 0.000 2.102 523 F HA -0.195 4.331 4.527 -0.002 0.000 0.298 523 F C 1.975 177.783 175.800 0.012 0.000 1.105 523 F CA 1.762 59.772 58.000 0.016 0.000 1.239 523 F CB -0.360 38.536 39.000 -0.174 0.000 0.991 523 F HN 0.166 nan 8.300 nan 0.000 0.474 524 W N 0.454 121.863 121.300 0.183 0.000 2.453 524 W HA -0.074 4.585 4.660 -0.002 0.000 0.289 524 W C 2.137 178.638 176.519 -0.031 0.000 1.215 524 W CA 0.790 58.166 57.345 0.053 0.000 1.297 524 W CB -0.499 29.102 29.460 0.236 0.000 1.113 524 W HN -0.053 nan 8.180 nan 0.000 0.551 525 N N -0.597 118.236 118.700 0.221 0.000 2.395 525 N HA -0.028 4.710 4.740 -0.002 0.000 0.175 525 N C 1.408 176.927 175.510 0.014 0.000 1.029 525 N CA 0.995 54.086 53.050 0.069 0.000 0.897 525 N CB -0.102 38.444 38.487 0.098 0.000 0.991 525 N HN 0.371 nan 8.380 nan 0.000 0.441 526 Q N -1.176 118.648 119.800 0.039 0.000 2.644 526 Q HA 0.191 4.530 4.340 -0.002 0.000 0.220 526 Q C 1.296 177.283 176.000 -0.022 0.000 0.866 526 Q CA -0.096 55.725 55.803 0.030 0.000 0.915 526 Q CB 0.067 28.859 28.738 0.090 0.000 1.191 526 Q HN 0.140 nan 8.270 nan 0.000 0.641 527 F N 1.778 121.629 119.950 -0.165 0.000 2.074 527 F HA -0.157 4.369 4.527 -0.002 0.000 0.293 527 F C 1.979 177.581 175.800 -0.331 0.000 1.116 527 F CA 0.980 58.853 58.000 -0.212 0.000 1.212 527 F CB -0.356 38.548 39.000 -0.160 0.000 0.998 527 F HN 0.045 nan 8.300 nan 0.000 0.471 528 L N 1.318 122.082 121.223 -0.765 0.000 2.013 528 L HA -0.104 4.235 4.340 -0.002 0.000 0.212 528 L C -0.850 175.735 176.870 -0.475 0.000 1.073 528 L CA 2.248 56.607 54.840 -0.802 0.000 0.753 528 L CB -1.979 39.538 42.059 -0.904 0.000 0.890 528 L HN 0.032 nan 8.230 nan 0.000 0.432 529 P HA -0.226 nan 4.420 nan 0.000 0.215 529 P C 1.549 178.723 177.300 -0.209 0.000 1.157 529 P CA 1.679 64.673 63.100 -0.177 0.000 0.874 529 P CB -0.083 31.549 31.700 -0.112 0.000 0.790 530 K N -0.647 119.601 120.400 -0.253 0.000 2.044 530 K HA -0.197 4.122 4.320 -0.002 0.000 0.210 530 K C 1.984 178.391 176.600 -0.322 0.000 1.049 530 K CA 1.259 57.398 56.287 -0.246 0.000 0.927 530 K CB -0.830 31.539 32.500 -0.218 0.000 0.713 530 K HN -0.059 nan 8.250 nan 0.000 0.443 531 L N 1.300 122.197 121.223 -0.543 0.000 2.012 531 L HA -0.180 4.159 4.340 -0.002 0.000 0.210 531 L C 1.947 178.660 176.870 -0.262 0.000 1.073 531 L CA 1.676 56.223 54.840 -0.488 0.000 0.748 531 L CB -0.344 41.292 42.059 -0.704 0.000 0.891 531 L HN 0.228 nan 8.230 nan 0.000 0.431 532 L N -1.014 120.070 121.223 -0.231 0.000 2.217 532 L HA -0.139 4.199 4.340 -0.002 0.000 0.211 532 L C 2.306 179.116 176.870 -0.100 0.000 1.107 532 L CA 1.138 55.894 54.840 -0.140 0.000 0.783 532 L CB -0.778 41.217 42.059 -0.107 0.000 0.919 532 L HN 0.453 nan 8.230 nan 0.000 0.442 533 N N 0.493 119.128 118.700 -0.108 0.000 2.244 533 N HA -0.154 4.584 4.740 -0.002 0.000 0.183 533 N C 1.790 177.260 175.510 -0.067 0.000 1.016 533 N CA 1.131 54.135 53.050 -0.075 0.000 0.866 533 N CB 0.231 38.675 38.487 -0.072 0.000 0.980 533 N HN 0.346 nan 8.380 nan 0.000 0.430 534 A N 0.200 122.969 122.820 -0.085 0.000 1.943 534 A HA 0.052 4.371 4.320 -0.002 0.000 0.213 534 A C 1.362 178.914 177.584 -0.053 0.000 1.181 534 A CA 0.984 52.983 52.037 -0.065 0.000 0.653 534 A CB -0.475 18.482 19.000 -0.073 0.000 0.833 534 A HN 0.477 nan 8.150 nan 0.000 0.451 535 T N 0.000 114.515 114.554 -0.065 0.000 3.816 535 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 535 T CA 0.000 62.070 62.100 -0.050 0.000 1.349 535 T CB 0.000 68.835 68.868 -0.056 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658