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 2w6c_1_X DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPXXXXSKWP 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 0.000 174.650 174.600 0.083 0.000 1.055 4 S CA 0.000 58.233 58.200 0.054 0.000 1.107 4 S CB 0.000 63.230 63.200 0.051 0.000 0.593 5 E N 2.306 122.559 120.200 0.088 0.000 2.160 5 E HA -0.085 4.265 4.350 -0.001 0.000 0.195 5 E C 1.063 177.785 176.600 0.204 0.000 0.991 5 E CA 1.273 57.752 56.400 0.132 0.000 0.810 5 E CB -0.073 29.694 29.700 0.111 0.000 0.742 5 E HN 0.683 nan 8.360 nan 0.000 0.466 6 L N 0.877 122.184 121.223 0.141 0.000 2.591 6 L HA 0.134 4.474 4.340 -0.001 0.000 0.228 6 L C 0.297 177.328 176.870 0.267 0.000 1.133 6 L CA -0.360 54.562 54.840 0.136 0.000 0.880 6 L CB 0.172 42.211 42.059 -0.033 0.000 1.033 6 L HN 0.063 nan 8.230 nan 0.000 0.450 7 L N 0.600 121.963 121.223 0.233 0.000 2.322 7 L HA 0.633 4.973 4.340 -0.001 0.000 0.281 7 L C -0.677 176.288 176.870 0.159 0.000 1.014 7 L CA -0.399 54.569 54.840 0.213 0.000 0.815 7 L CB 1.834 43.963 42.059 0.118 0.000 1.247 7 L HN -0.305 nan 8.230 nan 0.000 0.421 8 V N 4.376 124.354 119.914 0.106 0.000 2.668 8 V HA 0.430 4.549 4.120 -0.001 0.000 0.304 8 V C -0.801 175.196 176.094 -0.162 0.000 1.071 8 V CA -0.805 61.392 62.300 -0.172 0.000 0.894 8 V CB 1.987 33.395 31.823 -0.692 0.000 1.008 8 V HN 0.817 nan 8.190 nan 0.000 0.425 9 N N 2.963 121.515 118.700 -0.248 0.000 2.426 9 N HA 0.686 5.426 4.740 -0.001 0.000 0.275 9 N C -0.253 174.926 175.510 -0.552 0.000 1.019 9 N CA 0.074 52.953 53.050 -0.286 0.000 0.941 9 N CB 1.652 39.977 38.487 -0.270 0.000 1.123 9 N HN 0.933 nan 8.380 nan 0.000 0.486 10 T N -0.253 114.053 114.554 -0.414 0.000 2.858 10 T HA 0.395 4.745 4.350 -0.001 0.000 0.285 10 T C 0.828 175.269 174.700 -0.432 0.000 1.052 10 T CA -0.665 61.128 62.100 -0.512 0.000 1.009 10 T CB 1.062 69.902 68.868 -0.047 0.000 1.241 10 T HN 0.381 nan 8.240 nan 0.000 0.542 11 K N 0.272 120.473 120.400 -0.331 0.000 2.280 11 K HA 0.014 4.334 4.320 -0.001 0.000 0.202 11 K C 1.858 178.329 176.600 -0.216 0.000 1.047 11 K CA 1.196 57.346 56.287 -0.229 0.000 0.942 11 K CB -0.122 32.302 32.500 -0.126 0.000 0.739 11 K HN 0.444 nan 8.250 nan 0.000 0.457 12 S N -0.317 115.263 115.700 -0.201 0.000 2.535 12 S HA 0.198 4.668 4.470 -0.001 0.000 0.214 12 S C 0.427 174.412 174.600 -1.024 0.000 0.980 12 S CA 0.228 58.185 58.200 -0.404 0.000 0.907 12 S CB 0.954 64.102 63.200 -0.087 0.000 0.790 12 S HN 0.548 nan 8.310 nan 0.000 0.510 13 G N 1.410 109.823 108.800 -0.645 0.000 2.353 13 G HA2 0.056 4.016 3.960 -0.001 0.000 0.424 13 G HA3 0.056 4.016 3.960 -0.001 0.000 0.424 13 G C -1.719 173.140 174.900 -0.069 0.000 1.320 13 G CA -1.213 43.515 45.100 -0.619 0.000 0.995 13 G HN 0.122 nan 8.290 nan 0.000 0.580 14 K N -0.756 119.727 120.400 0.138 0.000 2.154 14 K HA 0.658 4.978 4.320 -0.001 0.000 0.264 14 K C -0.580 176.322 176.600 0.505 0.000 1.008 14 K CA -0.611 55.817 56.287 0.235 0.000 0.937 14 K CB 2.201 34.792 32.500 0.153 0.000 1.002 14 K HN 0.394 nan 8.250 nan 0.000 0.469 15 V N 3.002 123.171 119.914 0.424 0.000 2.760 15 V HA 0.369 4.489 4.120 -0.001 0.000 0.309 15 V C -1.096 175.299 176.094 0.502 0.000 1.077 15 V CA -0.874 61.760 62.300 0.556 0.000 0.910 15 V CB 2.040 34.232 31.823 0.615 0.000 1.008 15 V HN 0.790 nan 8.190 nan 0.000 0.424 16 M N 4.055 123.922 119.600 0.445 0.000 2.253 16 M HA 0.764 5.243 4.480 -0.001 0.000 0.314 16 M C 0.202 176.589 176.300 0.144 0.000 1.019 16 M CA -0.089 55.394 55.300 0.305 0.000 0.932 16 M CB 1.626 34.318 32.600 0.153 0.000 1.606 16 M HN 0.754 nan 8.290 nan 0.000 0.430 17 G N 1.349 110.047 108.800 -0.169 0.000 2.695 17 G HA2 0.658 4.618 3.960 -0.001 0.000 0.213 17 G HA3 0.658 4.618 3.960 -0.001 0.000 0.213 17 G C -1.086 173.606 174.900 -0.346 0.000 1.406 17 G CA -0.332 44.429 45.100 -0.565 0.000 1.049 17 G HN 0.642 nan 8.290 nan 0.000 0.573 18 T N -1.018 113.310 114.554 -0.377 0.000 2.982 18 T HA 0.463 4.813 4.350 -0.001 0.000 0.321 18 T C -0.833 173.759 174.700 -0.180 0.000 1.229 18 T CA -0.660 61.310 62.100 -0.216 0.000 1.044 18 T CB 1.157 69.920 68.868 -0.176 0.000 1.184 18 T HN 0.462 nan 8.240 nan 0.000 0.477 19 R N 1.745 122.183 120.500 -0.104 0.000 2.490 19 R HA 0.573 4.912 4.340 -0.001 0.000 0.280 19 R C -0.091 176.213 176.300 0.007 0.000 1.077 19 R CA -0.571 55.508 56.100 -0.035 0.000 1.065 19 R CB 1.055 31.332 30.300 -0.038 0.000 1.003 19 R HN 0.532 nan 8.270 nan 0.000 0.470 20 V N 0.263 120.216 119.914 0.065 0.000 2.789 20 V HA 0.597 4.717 4.120 -0.001 0.000 0.311 20 V C -2.583 173.555 176.094 0.072 0.000 1.073 20 V CA -2.831 59.507 62.300 0.064 0.000 0.921 20 V CB 2.137 33.984 31.823 0.040 0.000 1.009 20 V HN 0.632 nan 8.190 nan 0.000 0.426 21 P HA 0.521 nan 4.420 nan 0.000 0.277 21 P C -0.991 176.153 177.300 -0.258 0.000 1.240 21 P CA -0.297 62.668 63.100 -0.226 0.000 0.798 21 P CB 1.557 33.143 31.700 -0.189 0.000 0.979 22 V N 3.076 122.759 119.914 -0.385 0.000 2.653 22 V HA 0.153 4.273 4.120 -0.001 0.000 0.298 22 V C 0.506 176.341 176.094 -0.431 0.000 1.097 22 V CA -0.893 61.171 62.300 -0.394 0.000 0.908 22 V CB 1.227 32.727 31.823 -0.538 0.000 1.024 22 V HN 0.493 nan 8.190 nan 0.000 0.435 23 L N 4.246 125.353 121.223 -0.193 0.000 3.854 23 L HA -0.268 4.072 4.340 -0.001 0.000 0.460 23 L C 1.106 177.860 176.870 -0.193 0.000 1.228 23 L CA 0.915 55.675 54.840 -0.133 0.000 0.760 23 L CB -0.989 41.026 42.059 -0.072 0.000 1.597 23 L HN 1.518 nan 8.230 nan 0.000 0.852 24 S N -2.501 113.079 115.700 -0.199 0.000 3.641 24 S HA -0.205 4.264 4.470 -0.001 0.000 0.346 24 S C 0.093 174.549 174.600 -0.240 0.000 1.074 24 S CA 1.291 59.381 58.200 -0.183 0.000 1.026 24 S CB -1.232 61.919 63.200 -0.082 0.000 0.908 24 S HN 1.145 nan 8.310 nan 0.000 0.479 25 S N -0.235 115.210 115.700 -0.426 0.000 2.929 25 S HA 0.765 5.235 4.470 -0.001 0.000 0.311 25 S C -1.496 172.717 174.600 -0.645 0.000 1.213 25 S CA -0.414 57.548 58.200 -0.397 0.000 0.908 25 S CB 1.133 64.189 63.200 -0.239 0.000 1.287 25 S HN 0.711 nan 8.310 nan 0.000 0.594 26 H N 0.407 119.420 119.070 -0.095 0.000 2.961 26 H HA 0.702 5.257 4.556 -0.001 0.000 0.371 26 H C -0.630 174.711 175.328 0.021 0.000 1.190 26 H CA -0.237 55.781 56.048 -0.049 0.000 1.138 26 H CB 1.612 31.365 29.762 -0.016 0.000 1.816 26 H HN 0.826 nan 8.280 nan 0.000 0.551 27 I N -1.854 118.810 120.570 0.157 0.000 3.352 27 I HA 0.593 4.762 4.170 -0.001 0.000 0.316 27 I C -0.809 175.406 176.117 0.163 0.000 1.214 27 I CA -0.965 60.451 61.300 0.194 0.000 0.934 27 I CB 2.359 40.507 38.000 0.247 0.000 1.310 27 I HN 0.346 nan 8.210 nan 0.000 0.475 28 S N 1.170 116.980 115.700 0.182 0.000 2.617 28 S HA 0.874 5.344 4.470 -0.001 0.000 0.283 28 S C -0.302 174.324 174.600 0.043 0.000 1.189 28 S CA -0.575 57.665 58.200 0.067 0.000 1.036 28 S CB 1.615 64.877 63.200 0.103 0.000 1.014 28 S HN 0.929 nan 8.310 nan 0.000 0.522 29 A N 1.563 124.248 122.820 -0.225 0.000 2.374 29 A HA 0.772 5.091 4.320 -0.001 0.000 0.305 29 A C -1.449 175.838 177.584 -0.495 0.000 1.053 29 A CA -0.657 51.164 52.037 -0.361 0.000 0.726 29 A CB 0.517 19.258 19.000 -0.432 0.000 1.229 29 A HN 0.634 nan 8.150 nan 0.000 0.431 30 F N 2.562 122.389 119.950 -0.205 0.000 2.366 30 F HA 0.508 5.034 4.527 -0.001 0.000 0.366 30 F C -0.180 175.524 175.800 -0.159 0.000 1.096 30 F CA -0.339 57.627 58.000 -0.058 0.000 1.060 30 F CB 1.391 40.458 39.000 0.112 0.000 1.282 30 F HN 0.354 nan 8.300 nan 0.000 0.450 31 L N 2.264 123.470 121.223 -0.028 0.000 2.325 31 L HA 0.698 5.038 4.340 -0.001 0.000 0.278 31 L C 0.854 177.772 176.870 0.080 0.000 1.023 31 L CA -1.003 53.800 54.840 -0.061 0.000 0.811 31 L CB 1.744 43.678 42.059 -0.208 0.000 1.249 31 L HN 0.821 nan 8.230 nan 0.000 0.431 32 G N 3.216 112.085 108.800 0.114 0.000 2.272 32 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.280 32 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.280 32 G C -0.168 174.831 174.900 0.165 0.000 1.067 32 G CA -0.322 44.843 45.100 0.108 0.000 0.902 32 G HN 0.466 nan 8.290 nan 0.000 0.500 33 I N 2.014 122.608 120.570 0.040 0.000 2.441 33 I HA 0.245 4.414 4.170 -0.001 0.000 0.287 33 I C -1.357 174.554 176.117 -0.344 0.000 1.049 33 I CA -2.217 58.915 61.300 -0.281 0.000 1.381 33 I CB 1.232 39.077 38.000 -0.259 0.000 1.409 33 I HN 0.003 nan 8.210 nan 0.000 0.523 34 P HA 0.083 nan 4.420 nan 0.000 0.275 34 P C -0.422 176.449 177.300 -0.715 0.000 1.228 34 P CA 0.014 62.584 63.100 -0.884 0.000 0.786 34 P CB 0.642 31.783 31.700 -0.933 0.000 0.927 35 F N -0.666 118.922 119.950 -0.603 0.000 2.838 35 F HA 0.757 5.283 4.527 -0.001 0.000 0.329 35 F C -0.245 175.421 175.800 -0.222 0.000 1.116 35 F CA -1.041 56.662 58.000 -0.495 0.000 1.155 35 F CB -0.087 38.583 39.000 -0.551 0.000 1.106 35 F HN 0.383 nan 8.300 nan 0.000 0.538 36 A N -0.165 122.323 122.820 -0.554 0.000 2.609 36 A HA 0.635 4.955 4.320 -0.001 0.000 0.291 36 A C -0.917 176.491 177.584 -0.293 0.000 1.096 36 A CA -0.722 51.145 52.037 -0.283 0.000 0.684 36 A CB 1.040 19.859 19.000 -0.300 0.000 1.282 36 A HN 0.022 nan 8.150 nan 0.000 0.412 37 E N 1.100 121.216 120.200 -0.140 0.000 2.414 37 E HA 0.226 4.576 4.350 -0.001 0.000 0.263 37 E C -2.286 174.218 176.600 -0.161 0.000 1.000 37 E CA -1.335 54.997 56.400 -0.113 0.000 0.914 37 E CB -0.006 29.669 29.700 -0.042 0.000 0.948 37 E HN 0.226 nan 8.360 nan 0.000 0.444 38 P HA -0.014 nan 4.420 nan 0.000 0.260 38 P C -2.236 175.006 177.300 -0.095 0.000 1.185 38 P CA -0.576 62.450 63.100 -0.124 0.000 0.763 38 P CB -0.003 31.662 31.700 -0.059 0.000 0.776 39 P HA 0.004 nan 4.420 nan 0.000 0.225 39 P C -0.145 177.103 177.300 -0.087 0.000 1.768 39 P CA 0.095 63.144 63.100 -0.084 0.000 0.943 39 P CB -0.225 31.427 31.700 -0.080 0.000 1.936 40 V N -2.838 117.033 119.914 -0.072 0.000 3.211 40 V HA 0.892 5.011 4.120 -0.001 0.000 0.319 40 V C 1.080 177.136 176.094 -0.065 0.000 1.096 40 V CA 0.097 62.354 62.300 -0.072 0.000 1.029 40 V CB 0.470 32.261 31.823 -0.054 0.000 1.137 40 V HN 0.546 nan 8.190 nan 0.000 0.453 41 G N 0.784 109.546 108.800 -0.064 0.000 2.611 41 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.301 41 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.301 41 G C 0.927 175.793 174.900 -0.058 0.000 1.233 41 G CA 1.521 46.590 45.100 -0.052 0.000 0.993 41 G HN 2.156 nan 8.290 nan 0.000 0.553 42 N N -0.146 118.538 118.700 -0.027 0.000 2.635 42 N HA 0.204 4.944 4.740 -0.001 0.000 0.191 42 N C 2.172 177.672 175.510 -0.016 0.000 1.155 42 N CA 2.128 55.173 53.050 -0.008 0.000 0.927 42 N CB -0.359 38.139 38.487 0.020 0.000 0.976 42 N HN 0.650 nan 8.380 nan 0.000 0.448 43 M N -0.726 118.849 119.600 -0.042 0.000 2.441 43 M HA 0.112 4.592 4.480 -0.001 0.000 0.244 43 M C 1.091 177.337 176.300 -0.090 0.000 1.122 43 M CA -0.275 54.999 55.300 -0.042 0.000 1.041 43 M CB 0.360 32.938 32.600 -0.036 0.000 1.438 43 M HN 0.302 nan 8.290 nan 0.000 0.484 44 R N 0.682 121.072 120.500 -0.183 0.000 2.640 44 R HA -0.083 4.257 4.340 -0.001 0.000 0.270 44 R C -0.217 175.817 176.300 -0.443 0.000 1.024 44 R CA 0.762 56.614 56.100 -0.413 0.000 1.085 44 R CB 0.224 30.138 30.300 -0.643 0.000 0.963 44 R HN 0.256 nan 8.270 nan 0.000 0.426 45 F N -1.193 118.753 119.950 -0.007 0.000 2.778 45 F HA -0.324 4.203 4.527 -0.001 0.000 0.399 45 F C 0.651 176.432 175.800 -0.032 0.000 0.604 45 F CA 1.014 58.987 58.000 -0.046 0.000 1.106 45 F CB -1.343 37.615 39.000 -0.070 0.000 1.643 45 F HN 0.591 nan 8.300 nan 0.000 0.290 46 R N 1.796 122.341 120.500 0.076 0.000 2.582 46 R HA 0.379 4.719 4.340 -0.001 0.000 0.271 46 R C 0.744 177.064 176.300 0.033 0.000 1.078 46 R CA -0.711 55.421 56.100 0.054 0.000 1.127 46 R CB 0.494 30.812 30.300 0.031 0.000 1.038 46 R HN 0.206 nan 8.270 nan 0.000 0.500 47 R N 2.348 122.871 120.500 0.038 0.000 2.640 47 R HA 0.032 4.371 4.340 -0.001 0.000 0.270 47 R C -1.816 174.504 176.300 0.033 0.000 1.024 47 R CA -0.831 55.291 56.100 0.038 0.000 1.085 47 R CB -0.194 30.135 30.300 0.048 0.000 0.963 47 R HN 0.401 nan 8.270 nan 0.000 0.426 48 P HA 0.150 nan 4.420 nan 0.000 0.277 48 P C -0.951 176.377 177.300 0.046 0.000 1.240 48 P CA -0.255 62.867 63.100 0.037 0.000 0.798 48 P CB 0.964 32.705 31.700 0.068 0.000 0.979 49 E N 1.814 122.032 120.200 0.030 0.000 2.207 49 E HA 0.456 4.806 4.350 -0.001 0.000 0.270 49 E C -2.346 174.282 176.600 0.046 0.000 0.927 49 E CA -2.631 53.791 56.400 0.037 0.000 0.799 49 E CB 0.688 30.401 29.700 0.021 0.000 1.172 49 E HN 0.302 nan 8.360 nan 0.000 0.404 50 P HA 0.006 nan 4.420 nan 0.000 0.266 50 P C -0.994 176.355 177.300 0.081 0.000 1.195 50 P CA -0.244 62.919 63.100 0.105 0.000 0.768 50 P CB 0.387 32.152 31.700 0.108 0.000 0.838 51 K N 4.006 124.462 120.400 0.093 0.000 2.379 51 K HA 0.051 4.371 4.320 -0.001 0.000 0.284 51 K C -0.108 176.578 176.600 0.143 0.000 1.044 51 K CA 0.143 56.478 56.287 0.080 0.000 0.974 51 K CB -0.067 32.472 32.500 0.065 0.000 0.962 51 K HN 0.237 nan 8.250 nan 0.000 0.474 52 K N 6.338 126.815 120.400 0.127 0.000 2.472 52 K HA 0.033 4.352 4.320 -0.001 0.000 0.280 52 K C -2.101 174.621 176.600 0.204 0.000 1.028 52 K CA -1.245 55.121 56.287 0.133 0.000 1.045 52 K CB -0.185 32.385 32.500 0.116 0.000 0.902 52 K HN 0.546 nan 8.250 nan 0.000 0.478 53 P HA -0.027 nan 4.420 nan 0.000 0.270 53 P C -1.088 176.276 177.300 0.107 0.000 1.227 53 P CA -0.113 62.935 63.100 -0.087 0.000 0.788 53 P CB 0.287 31.842 31.700 -0.242 0.000 0.926 54 W N -0.609 120.763 121.300 0.119 0.000 2.882 54 W HA 0.717 5.376 4.660 -0.001 0.000 0.345 54 W C -0.970 175.620 176.519 0.118 0.000 1.125 54 W CA -0.759 56.670 57.345 0.142 0.000 1.167 54 W CB 0.201 29.805 29.460 0.241 0.000 1.431 54 W HN 0.341 nan 8.180 nan 0.000 0.543 55 S N 0.977 116.833 115.700 0.262 0.000 2.739 55 S HA 0.929 5.399 4.470 -0.001 0.000 0.306 55 S C 0.315 175.106 174.600 0.319 0.000 1.115 55 S CA -0.256 58.059 58.200 0.191 0.000 0.985 55 S CB 0.988 64.234 63.200 0.078 0.000 1.133 55 S HN 2.092 nan 8.310 nan 0.000 0.541 56 G N -0.786 108.148 108.800 0.224 0.000 2.725 56 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.220 56 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.220 56 G C -1.057 174.039 174.900 0.327 0.000 1.357 56 G CA -0.415 44.813 45.100 0.214 0.000 0.866 56 G HN 1.442 nan 8.290 nan 0.000 0.548 57 V N 1.112 121.174 119.914 0.248 0.000 2.384 57 V HA 0.487 4.606 4.120 -0.001 0.000 0.287 57 V C 0.350 176.580 176.094 0.226 0.000 1.020 57 V CA -0.545 61.918 62.300 0.272 0.000 0.850 57 V CB 1.708 33.622 31.823 0.152 0.000 0.987 57 V HN 0.714 nan 8.190 nan 0.000 0.436 58 W N 5.459 126.865 121.300 0.178 0.000 2.303 58 W HA 0.179 4.839 4.660 -0.001 0.000 0.318 58 W C 0.301 176.822 176.519 0.003 0.000 1.362 58 W CA -0.300 57.007 57.345 -0.064 0.000 1.234 58 W CB 0.777 30.071 29.460 -0.277 0.000 1.248 58 W HN 0.605 nan 8.180 nan 0.000 0.546 59 N N 4.855 123.228 118.700 -0.545 0.000 2.448 59 N HA 0.185 4.925 4.740 -0.001 0.000 0.250 59 N C -0.372 175.102 175.510 -0.061 0.000 1.136 59 N CA 0.150 53.041 53.050 -0.266 0.000 0.953 59 N CB 0.604 38.877 38.487 -0.357 0.000 1.251 59 N HN 0.366 nan 8.380 nan 0.000 0.502 60 A N 2.608 125.546 122.820 0.197 0.000 3.282 60 A HA 0.194 4.513 4.320 -0.001 0.000 0.287 60 A C 1.164 178.762 177.584 0.023 0.000 1.366 60 A CA -0.376 51.806 52.037 0.242 0.000 1.069 60 A CB -0.482 18.755 19.000 0.395 0.000 1.109 60 A HN 0.616 nan 8.150 nan 0.000 0.638 61 S N -0.907 114.764 115.700 -0.049 0.000 2.502 61 S HA 0.126 4.596 4.470 -0.001 0.000 0.215 61 S C 0.840 175.353 174.600 -0.146 0.000 1.009 61 S CA 0.686 58.815 58.200 -0.119 0.000 0.908 61 S CB -0.224 62.909 63.200 -0.112 0.000 0.801 61 S HN 0.778 nan 8.310 nan 0.000 0.505 62 T N -0.958 113.527 114.554 -0.115 0.000 2.907 62 T HA 0.632 4.981 4.350 -0.001 0.000 0.292 62 T C -0.824 173.845 174.700 -0.052 0.000 1.043 62 T CA -0.775 61.249 62.100 -0.126 0.000 1.003 62 T CB 0.714 69.529 68.868 -0.089 0.000 1.084 62 T HN 0.058 nan 8.240 nan 0.000 0.483 63 Y N 2.900 123.167 120.300 -0.055 0.000 2.683 63 Y HA 0.277 4.826 4.550 -0.001 0.000 0.340 63 Y C -1.433 174.408 175.900 -0.099 0.000 1.245 63 Y CA -1.401 56.670 58.100 -0.049 0.000 1.485 63 Y CB -0.012 38.438 38.460 -0.017 0.000 1.328 63 Y HN 0.539 nan 8.280 nan 0.000 0.603 64 P HA 0.080 nan 4.420 nan 0.000 0.279 64 P C -0.616 176.610 177.300 -0.124 0.000 1.276 64 P CA -0.531 62.456 63.100 -0.189 0.000 0.801 64 P CB 0.832 32.376 31.700 -0.261 0.000 1.127 65 N N 0.473 119.069 118.700 -0.172 0.000 2.340 65 N HA 0.039 4.779 4.740 -0.001 0.000 0.236 65 N C 0.060 175.542 175.510 -0.047 0.000 1.296 65 N CA 0.395 53.391 53.050 -0.089 0.000 0.896 65 N CB -0.207 38.236 38.487 -0.074 0.000 1.127 65 N HN 0.436 nan 8.380 nan 0.000 0.442 66 N N -0.597 118.065 118.700 -0.063 0.000 2.487 66 N HA 0.268 5.008 4.740 -0.001 0.000 0.292 66 N C -0.415 175.053 175.510 -0.069 0.000 1.108 66 N CA -0.704 52.304 53.050 -0.070 0.000 0.956 66 N CB 0.989 39.410 38.487 -0.111 0.000 1.176 66 N HN 0.416 nan 8.380 nan 0.000 0.484 67 c N 1.530 120.092 118.600 -0.063 0.000 2.679 67 c HA -0.004 4.566 4.570 -0.001 0.000 0.417 67 c C 0.790 174.793 174.090 -0.145 0.000 1.302 67 c CA -0.576 55.692 56.329 -0.101 0.000 1.973 67 c CB -0.332 42.139 42.510 -0.065 0.000 2.715 67 c HN 0.546 nan 8.230 nan 0.000 0.628 68 Q N 2.925 122.566 119.800 -0.264 0.000 2.308 68 Q HA 0.084 4.424 4.340 -0.001 0.000 0.313 68 Q C 0.083 176.023 176.000 -0.100 0.000 1.075 68 Q CA 1.226 56.857 55.803 -0.285 0.000 0.995 68 Q CB 0.088 28.409 28.738 -0.695 0.000 1.107 68 Q HN 0.900 nan 8.270 nan 0.000 0.380 69 Q N 1.572 121.396 119.800 0.040 0.000 2.575 69 Q HA 0.337 4.676 4.340 -0.001 0.000 0.290 69 Q C -1.322 174.842 176.000 0.273 0.000 0.963 69 Q CA -1.032 54.888 55.803 0.195 0.000 0.783 69 Q CB 0.831 29.645 28.738 0.128 0.000 1.467 69 Q HN 0.487 nan 8.270 nan 0.000 0.402 70 Y N 1.064 121.544 120.300 0.301 0.000 2.511 70 Y HA 0.367 4.917 4.550 -0.001 0.000 0.332 70 Y C -1.040 175.033 175.900 0.289 0.000 1.177 70 Y CA 0.208 58.508 58.100 0.334 0.000 1.422 70 Y CB 0.928 39.674 38.460 0.477 0.000 1.271 70 Y HN 0.437 nan 8.280 nan 0.000 0.550 71 V N 6.677 126.269 119.914 -0.536 0.000 2.417 71 V HA 0.125 4.244 4.120 -0.001 0.000 0.291 71 V C -0.538 175.319 176.094 -0.396 0.000 1.024 71 V CA -1.036 61.099 62.300 -0.274 0.000 0.861 71 V CB 1.444 33.174 31.823 -0.155 0.000 0.985 71 V HN 0.759 nan 8.190 nan 0.000 0.436 72 D N 3.805 124.208 120.400 0.005 0.000 2.371 72 D HA 0.119 4.759 4.640 -0.001 0.000 0.256 72 D C 0.544 176.916 176.300 0.121 0.000 1.193 72 D CA 0.406 54.521 54.000 0.191 0.000 0.881 72 D CB 0.981 42.000 40.800 0.365 0.000 1.143 72 D HN 0.694 nan 8.370 nan 0.000 0.473 73 E N 2.295 122.540 120.200 0.075 0.000 2.714 73 E HA -0.001 4.349 4.350 -0.001 0.000 0.219 73 E C 1.113 177.688 176.600 -0.041 0.000 0.979 73 E CA -0.277 56.141 56.400 0.030 0.000 1.092 73 E CB 0.605 30.294 29.700 -0.019 0.000 1.049 73 E HN 0.413 nan 8.360 nan 0.000 0.487 74 Q N -0.426 119.317 119.800 -0.095 0.000 2.173 74 Q HA -0.128 4.212 4.340 -0.001 0.000 0.208 74 Q C 0.032 175.529 176.000 -0.839 0.000 0.989 74 Q CA 1.329 56.793 55.803 -0.566 0.000 0.872 74 Q CB 0.097 28.280 28.738 -0.926 0.000 0.909 74 Q HN 0.233 nan 8.270 nan 0.000 0.420 75 F N -0.219 119.819 119.950 0.146 0.000 2.584 75 F HA 0.351 4.878 4.527 -0.001 0.000 0.328 75 F C -2.149 173.747 175.800 0.160 0.000 1.407 75 F CA -2.687 55.389 58.000 0.128 0.000 1.145 75 F CB 0.935 40.034 39.000 0.164 0.000 1.440 75 F HN -0.180 nan 8.300 nan 0.000 0.580 76 P HA 0.120 nan 4.420 nan 0.000 0.264 76 P C 1.047 178.441 177.300 0.156 0.000 1.183 76 P CA 1.220 64.403 63.100 0.137 0.000 0.763 76 P CB 0.755 32.496 31.700 0.069 0.000 0.807 77 G N 1.703 110.577 108.800 0.123 0.000 2.175 77 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.265 77 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.265 77 G C -0.077 174.909 174.900 0.143 0.000 0.979 77 G CA -0.205 44.954 45.100 0.097 0.000 0.663 77 G HN 0.538 nan 8.290 nan 0.000 0.533 78 F N 2.291 122.255 119.950 0.023 0.000 2.410 78 F HA 0.593 5.120 4.527 -0.001 0.000 0.349 78 F C 1.414 177.170 175.800 -0.074 0.000 1.117 78 F CA -0.547 57.419 58.000 -0.057 0.000 1.104 78 F CB 1.464 40.427 39.000 -0.063 0.000 1.122 78 F HN 0.162 nan 8.300 nan 0.000 0.483 79 S N 3.211 118.467 115.700 -0.741 0.000 2.414 79 S HA 0.003 4.472 4.470 -0.001 0.000 0.227 79 S C 2.158 176.369 174.600 -0.649 0.000 1.022 79 S CA 0.653 58.524 58.200 -0.548 0.000 0.958 79 S CB -1.049 61.913 63.200 -0.397 0.000 0.797 79 S HN 0.846 nan 8.310 nan 0.000 0.493 80 G N 2.101 110.091 108.800 -1.351 0.000 2.503 80 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.221 80 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.221 80 G C 1.749 176.905 174.900 0.427 0.000 1.131 80 G CA 1.583 46.236 45.100 -0.744 0.000 0.756 80 G HN 0.818 nan 8.290 nan 0.000 0.572 81 S N -0.621 115.295 115.700 0.360 0.000 2.475 81 S HA 0.160 4.630 4.470 -0.001 0.000 0.224 81 S C 1.926 176.817 174.600 0.484 0.000 1.042 81 S CA 1.038 59.758 58.200 0.866 0.000 0.935 81 S CB 0.125 63.977 63.200 1.087 0.000 0.801 81 S HN 0.403 nan 8.310 nan 0.000 0.509 82 E N 1.704 122.016 120.200 0.187 0.000 2.152 82 E HA -0.009 4.341 4.350 -0.001 0.000 0.192 82 E C 2.110 178.678 176.600 -0.052 0.000 0.983 82 E CA 1.188 57.636 56.400 0.080 0.000 0.818 82 E CB -0.325 29.392 29.700 0.029 0.000 0.758 82 E HN 0.840 nan 8.360 nan 0.000 0.467 83 M N -1.623 117.854 119.600 -0.204 0.000 2.539 83 M HA -0.072 4.408 4.480 -0.001 0.000 0.261 83 M C 0.844 176.801 176.300 -0.572 0.000 1.069 83 M CA 1.233 56.274 55.300 -0.431 0.000 1.081 83 M CB -0.312 31.921 32.600 -0.612 0.000 1.412 83 M HN 0.039 nan 8.290 nan 0.000 0.482 84 W N 0.987 122.220 121.300 -0.112 0.000 2.942 84 W HA 0.236 4.895 4.660 -0.001 0.000 0.263 84 W C 0.665 177.094 176.519 -0.149 0.000 1.296 84 W CA -0.750 56.495 57.345 -0.165 0.000 1.504 84 W CB -0.220 29.161 29.460 -0.132 0.000 1.096 84 W HN 0.136 nan 8.180 nan 0.000 0.639 85 N N 1.273 120.020 118.700 0.077 0.000 2.399 85 N HA 0.115 4.855 4.740 -0.001 0.000 0.250 85 N C -2.465 173.010 175.510 -0.058 0.000 1.272 85 N CA -1.396 51.669 53.050 0.026 0.000 0.928 85 N CB -0.304 38.205 38.487 0.036 0.000 1.158 85 N HN -0.357 nan 8.380 nan 0.000 0.463 86 P HA 0.037 nan 4.420 nan 0.000 0.263 86 P C -0.009 177.235 177.300 -0.092 0.000 1.195 86 P CA 0.071 63.112 63.100 -0.098 0.000 0.762 86 P CB 0.158 31.809 31.700 -0.081 0.000 0.799 87 N N 2.794 121.427 118.700 -0.113 0.000 2.321 87 N HA 0.097 4.836 4.740 -0.001 0.000 0.242 87 N C 0.059 175.527 175.510 -0.070 0.000 1.141 87 N CA -0.140 52.856 53.050 -0.091 0.000 0.864 87 N CB 0.250 38.673 38.487 -0.106 0.000 1.100 87 N HN 0.175 nan 8.380 nan 0.000 0.510 88 R N -0.297 120.159 120.500 -0.073 0.000 2.764 88 R HA 0.270 4.609 4.340 -0.001 0.000 0.270 88 R C -0.459 175.807 176.300 -0.058 0.000 1.014 88 R CA -0.654 55.412 56.100 -0.056 0.000 0.904 88 R CB 1.262 31.525 30.300 -0.062 0.000 1.236 88 R HN 0.211 nan 8.270 nan 0.000 0.466 89 E N 1.760 121.928 120.200 -0.052 0.000 2.568 89 E HA -0.064 4.285 4.350 -0.001 0.000 0.262 89 E C -0.195 176.367 176.600 -0.063 0.000 0.961 89 E CA 0.779 57.147 56.400 -0.053 0.000 0.945 89 E CB 0.531 30.200 29.700 -0.052 0.000 0.924 89 E HN 0.207 nan 8.360 nan 0.000 0.467 90 M N 2.026 121.587 119.600 -0.064 0.000 2.249 90 M HA 0.168 4.647 4.480 -0.001 0.000 0.351 90 M C 0.168 176.416 176.300 -0.086 0.000 1.180 90 M CA 0.007 55.260 55.300 -0.079 0.000 1.127 90 M CB 1.467 34.020 32.600 -0.078 0.000 1.546 90 M HN 0.444 nan 8.290 nan 0.000 0.461 91 S N 1.336 116.976 115.700 -0.100 0.000 2.588 91 S HA 0.283 4.753 4.470 -0.001 0.000 0.269 91 S C 0.053 174.562 174.600 -0.151 0.000 1.157 91 S CA -0.845 57.288 58.200 -0.112 0.000 0.824 91 S CB 1.432 64.591 63.200 -0.069 0.000 1.126 91 S HN 0.794 nan 8.310 nan 0.000 0.464 92 E N 0.372 120.464 120.200 -0.180 0.000 2.333 92 E HA -0.089 4.261 4.350 -0.001 0.000 0.198 92 E C -0.266 176.267 176.600 -0.111 0.000 1.007 92 E CA 0.822 57.101 56.400 -0.202 0.000 0.845 92 E CB -0.004 29.582 29.700 -0.191 0.000 0.766 92 E HN 0.585 nan 8.360 nan 0.000 0.507 93 D N 0.325 120.694 120.400 -0.051 0.000 2.483 93 D HA 0.004 4.643 4.640 -0.001 0.000 0.220 93 D C 0.032 176.416 176.300 0.140 0.000 1.173 93 D CA -0.305 53.709 54.000 0.024 0.000 0.964 93 D CB 0.035 40.870 40.800 0.059 0.000 1.046 93 D HN 0.142 nan 8.370 nan 0.000 0.517 94 c N 2.339 120.990 118.600 0.084 0.000 3.865 94 c HA 0.346 4.916 4.570 -0.001 0.000 0.297 94 c C 0.771 174.897 174.090 0.060 0.000 1.758 94 c CA -0.631 55.817 56.329 0.199 0.000 1.778 94 c CB -1.282 41.268 42.510 0.066 0.000 3.158 94 c HN 0.435 nan 8.230 nan 0.000 0.598 95 L N 2.587 123.578 121.223 -0.385 0.000 2.451 95 L HA 0.288 4.628 4.340 -0.001 0.000 0.272 95 L C -0.706 175.309 176.870 -1.425 0.000 1.258 95 L CA 0.792 55.150 54.840 -0.802 0.000 1.132 95 L CB -0.902 40.600 42.059 -0.929 0.000 1.361 95 L HN 0.403 nan 8.230 nan 0.000 0.438 96 Y N 1.927 122.040 120.300 -0.311 0.000 2.602 96 Y HA 0.685 5.235 4.550 -0.001 0.000 0.342 96 Y C 0.030 176.081 175.900 0.250 0.000 1.029 96 Y CA -1.191 56.822 58.100 -0.145 0.000 1.080 96 Y CB 1.911 40.318 38.460 -0.090 0.000 1.284 96 Y HN 0.203 nan 8.280 nan 0.000 0.485 97 L N -0.309 121.097 121.223 0.306 0.000 2.303 97 L HA 0.786 5.125 4.340 -0.001 0.000 0.256 97 L C -1.407 175.527 176.870 0.107 0.000 1.034 97 L CA -1.082 53.882 54.840 0.207 0.000 0.832 97 L CB 1.908 44.011 42.059 0.073 0.000 1.403 97 L HN 0.461 nan 8.230 nan 0.000 0.419 98 N N 1.134 119.895 118.700 0.102 0.000 2.225 98 N HA 0.702 5.442 4.740 -0.001 0.000 0.298 98 N C -1.433 174.027 175.510 -0.083 0.000 1.076 98 N CA -0.222 52.809 53.050 -0.033 0.000 0.792 98 N CB 2.737 41.204 38.487 -0.033 0.000 1.498 98 N HN 0.666 nan 8.380 nan 0.000 0.474 99 I N 0.342 120.782 120.570 -0.216 0.000 2.498 99 I HA 0.409 4.579 4.170 -0.001 0.000 0.290 99 I C -0.709 175.361 176.117 -0.079 0.000 1.032 99 I CA -0.705 60.554 61.300 -0.067 0.000 1.073 99 I CB 2.266 40.151 38.000 -0.192 0.000 1.251 99 I HN 0.233 nan 8.210 nan 0.000 0.426 100 W N 5.824 127.245 121.300 0.202 0.000 2.361 100 W HA 0.523 5.183 4.660 -0.001 0.000 0.314 100 W C -0.983 175.667 176.519 0.219 0.000 1.041 100 W CA -0.609 56.858 57.345 0.204 0.000 1.241 100 W CB 2.136 31.691 29.460 0.158 0.000 1.279 100 W HN 0.106 nan 8.180 nan 0.000 0.436 101 V N 5.844 126.019 119.914 0.435 0.000 2.417 101 V HA 0.265 4.384 4.120 -0.001 0.000 0.291 101 V C -1.825 174.461 176.094 0.319 0.000 1.024 101 V CA -2.218 60.307 62.300 0.376 0.000 0.861 101 V CB 1.601 33.697 31.823 0.455 0.000 0.985 101 V HN 0.250 nan 8.190 nan 0.000 0.436 102 P HA 0.090 nan 4.420 nan 0.000 0.270 102 P C -0.503 176.925 177.300 0.214 0.000 1.227 102 P CA 0.157 63.394 63.100 0.228 0.000 0.788 102 P CB 0.503 32.302 31.700 0.164 0.000 0.926 103 S N 0.718 116.540 115.700 0.204 0.000 2.594 103 S HA 0.555 5.024 4.470 -0.001 0.000 0.296 103 S C -2.554 172.134 174.600 0.147 0.000 1.124 103 S CA -1.454 56.850 58.200 0.174 0.000 1.011 103 S CB 0.153 63.458 63.200 0.175 0.000 1.016 103 S HN 0.253 nan 8.310 nan 0.000 0.485 104 P HA 0.203 nan 4.420 nan 0.000 0.272 104 P C -0.426 176.947 177.300 0.122 0.000 1.223 104 P CA -0.563 62.604 63.100 0.111 0.000 0.784 104 P CB 0.357 32.108 31.700 0.085 0.000 0.923 105 R N 2.523 123.106 120.500 0.138 0.000 2.504 105 R HA -0.033 4.306 4.340 -0.001 0.000 0.302 105 R C -1.808 174.558 176.300 0.111 0.000 0.893 105 R CA -0.566 55.623 56.100 0.147 0.000 1.138 105 R CB -0.541 29.846 30.300 0.146 0.000 0.880 105 R HN 0.392 nan 8.270 nan 0.000 0.415 106 P HA 0.049 nan 4.420 nan 0.000 0.274 106 P C -0.168 177.170 177.300 0.063 0.000 1.260 106 P CA -0.312 62.836 63.100 0.080 0.000 0.793 106 P CB 0.664 32.413 31.700 0.082 0.000 1.048 107 K N -0.840 119.583 120.400 0.039 0.000 2.262 107 K HA 0.167 4.487 4.320 -0.001 0.000 0.200 107 K C 0.629 177.231 176.600 0.003 0.000 1.058 107 K CA 0.864 57.163 56.287 0.019 0.000 0.974 107 K CB -0.170 32.336 32.500 0.011 0.000 0.910 107 K HN 0.277 nan 8.250 nan 0.000 0.484 108 S N 1.059 116.762 115.700 0.006 0.000 2.680 108 S HA 0.109 4.578 4.470 -0.001 0.000 0.153 108 S C -0.881 173.718 174.600 -0.000 0.000 1.224 108 S CA -0.290 57.904 58.200 -0.010 0.000 1.197 108 S CB 0.265 63.450 63.200 -0.026 0.000 1.634 108 S HN 0.148 nan 8.310 nan 0.000 0.422 109 T N 1.740 116.305 114.554 0.019 0.000 2.902 109 T HA 0.464 4.813 4.350 -0.001 0.000 0.280 109 T C 0.316 175.027 174.700 0.019 0.000 0.992 109 T CA 0.114 62.227 62.100 0.022 0.000 1.015 109 T CB 0.804 69.697 68.868 0.041 0.000 1.044 109 T HN 0.390 nan 8.240 nan 0.000 0.520 110 T N 2.732 117.292 114.554 0.009 0.000 2.891 110 T HA 0.214 4.563 4.350 -0.001 0.000 0.296 110 T C -0.195 174.525 174.700 0.034 0.000 1.025 110 T CA -0.129 61.975 62.100 0.005 0.000 1.149 110 T CB 0.042 68.901 68.868 -0.016 0.000 1.007 110 T HN 0.407 nan 8.240 nan 0.000 0.528 111 V N 5.286 125.226 119.914 0.044 0.000 2.513 111 V HA 0.493 4.612 4.120 -0.001 0.000 0.299 111 V C 0.055 176.206 176.094 0.096 0.000 1.035 111 V CA -0.784 61.566 62.300 0.082 0.000 0.889 111 V CB 1.693 33.568 31.823 0.087 0.000 0.988 111 V HN 0.834 nan 8.190 nan 0.000 0.440 112 M N 4.419 124.103 119.600 0.140 0.000 2.253 112 M HA 0.569 5.049 4.480 -0.001 0.000 0.314 112 M C -1.240 175.294 176.300 0.389 0.000 1.019 112 M CA -0.662 54.751 55.300 0.189 0.000 0.932 112 M CB 2.216 34.829 32.600 0.022 0.000 1.606 112 M HN 0.353 nan 8.290 nan 0.000 0.430 113 V N 3.164 123.342 119.914 0.441 0.000 2.384 113 V HA 0.343 4.463 4.120 -0.001 0.000 0.287 113 V C -0.865 175.502 176.094 0.456 0.000 1.020 113 V CA -0.610 61.925 62.300 0.391 0.000 0.850 113 V CB 1.561 33.496 31.823 0.187 0.000 0.987 113 V HN 0.858 nan 8.190 nan 0.000 0.436 114 W N 7.142 128.530 121.300 0.146 0.000 2.351 114 W HA 0.598 5.257 4.660 -0.001 0.000 0.311 114 W C -1.246 175.156 176.519 -0.194 0.000 1.168 114 W CA -0.783 56.397 57.345 -0.276 0.000 1.200 114 W CB 1.215 30.539 29.460 -0.227 0.000 1.221 114 W HN 0.449 nan 8.180 nan 0.000 0.519 115 I N 9.235 129.237 120.570 -0.946 0.000 2.359 115 I HA 0.069 4.239 4.170 -0.001 0.000 0.284 115 I C -0.254 175.119 176.117 -1.240 0.000 1.018 115 I CA -1.149 59.631 61.300 -0.867 0.000 1.173 115 I CB 0.340 38.001 38.000 -0.566 0.000 1.326 115 I HN 0.296 nan 8.210 nan 0.000 0.462 116 Y N 4.360 124.182 120.300 -0.797 0.000 2.578 116 Y HA 0.593 5.143 4.550 -0.001 0.000 0.339 116 Y C 0.814 176.533 175.900 -0.303 0.000 1.231 116 Y CA -0.813 56.931 58.100 -0.593 0.000 1.461 116 Y CB -0.141 38.220 38.460 -0.164 0.000 1.323 116 Y HN 0.570 nan 8.280 nan 0.000 0.590 117 G N -0.119 108.667 108.800 -0.023 0.000 2.574 117 G HA2 0.474 4.433 3.960 -0.001 0.000 0.248 117 G HA3 0.474 4.433 3.960 -0.001 0.000 0.248 117 G C 0.420 175.252 174.900 -0.114 0.000 1.422 117 G CA -0.859 44.178 45.100 -0.104 0.000 1.051 117 G HN 1.774 nan 8.290 nan 0.000 0.560 118 G N -2.821 105.768 108.800 -0.352 0.000 2.157 118 G HA2 0.379 4.339 3.960 -0.001 0.000 0.114 118 G HA3 0.379 4.339 3.960 -0.001 0.000 0.114 118 G C 1.129 175.479 174.900 -0.917 0.000 1.041 118 G CA 0.681 45.426 45.100 -0.592 0.000 0.714 118 G HN 2.292 nan 8.290 nan 0.000 0.492 119 G N -0.505 107.788 108.800 -0.844 0.000 2.269 119 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.277 119 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.277 119 G C 0.975 175.621 174.900 -0.424 0.000 1.008 119 G CA 0.997 45.446 45.100 -1.085 0.000 0.774 119 G HN 1.799 nan 8.290 nan 0.000 0.511 120 F N -3.753 116.092 119.950 -0.175 0.000 2.825 120 F HA -0.330 4.196 4.527 -0.001 0.000 0.358 120 F C 1.536 177.399 175.800 0.106 0.000 0.639 120 F CA 2.126 60.136 58.000 0.017 0.000 1.153 120 F CB -2.054 36.828 39.000 -0.196 0.000 1.610 120 F HN 0.823 nan 8.300 nan 0.000 0.305 121 Y N -0.289 120.042 120.300 0.052 0.000 2.444 121 Y HA 0.643 5.193 4.550 -0.001 0.000 0.249 121 Y C 0.624 176.591 175.900 0.112 0.000 1.134 121 Y CA 0.191 58.342 58.100 0.085 0.000 1.261 121 Y CB 0.057 38.466 38.460 -0.084 0.000 1.143 121 Y HN 0.142 nan 8.280 nan 0.000 0.523 122 S N -0.909 114.575 115.700 -0.359 0.000 2.611 122 S HA 0.838 5.308 4.470 -0.001 0.000 0.268 122 S C -0.426 173.963 174.600 -0.352 0.000 1.156 122 S CA -0.346 57.660 58.200 -0.322 0.000 0.817 122 S CB 1.380 64.269 63.200 -0.519 0.000 1.122 122 S HN 1.310 nan 8.310 nan 0.000 0.466 123 G N 0.056 108.623 108.800 -0.389 0.000 2.316 123 G HA2 0.457 4.416 3.960 -0.001 0.000 0.468 123 G HA3 0.457 4.416 3.960 -0.001 0.000 0.468 123 G C -1.105 173.160 174.900 -1.059 0.000 1.523 123 G CA -0.227 44.447 45.100 -0.709 0.000 0.972 123 G HN 1.381 nan 8.290 nan 0.000 0.667 124 S N -1.218 113.917 115.700 -0.942 0.000 2.579 124 S HA 0.715 5.185 4.470 -0.001 0.000 0.272 124 S C 0.928 175.445 174.600 -0.137 0.000 1.141 124 S CA 0.063 57.910 58.200 -0.588 0.000 0.843 124 S CB 1.818 64.848 63.200 -0.284 0.000 1.122 124 S HN 1.834 nan 8.310 nan 0.000 0.468 125 S N -0.487 115.289 115.700 0.125 0.000 2.548 125 S HA -0.002 4.468 4.470 -0.001 0.000 0.215 125 S C 1.129 175.819 174.600 0.150 0.000 0.976 125 S CA 0.598 59.022 58.200 0.373 0.000 0.908 125 S CB -0.528 62.901 63.200 0.381 0.000 0.781 125 S HN 0.831 nan 8.310 nan 0.000 0.519 126 T N 0.069 114.525 114.554 -0.164 0.000 3.176 126 T HA 0.475 4.825 4.350 -0.001 0.000 0.263 126 T C 0.236 174.681 174.700 -0.424 0.000 1.021 126 T CA -0.580 61.116 62.100 -0.674 0.000 0.905 126 T CB -0.448 67.903 68.868 -0.863 0.000 1.057 126 T HN 0.258 nan 8.240 nan 0.000 0.558 127 L N 1.398 122.457 121.223 -0.273 0.000 2.418 127 L HA 0.368 4.708 4.340 -0.001 0.000 0.265 127 L C 1.230 177.873 176.870 -0.379 0.000 1.143 127 L CA -0.934 53.664 54.840 -0.404 0.000 0.809 127 L CB 0.583 42.221 42.059 -0.701 0.000 1.124 127 L HN -0.007 nan 8.230 nan 0.000 0.456 128 D N 0.935 121.124 120.400 -0.351 0.000 2.133 128 D HA -0.173 4.467 4.640 -0.001 0.000 0.192 128 D C 1.914 177.984 176.300 -0.383 0.000 1.001 128 D CA 1.607 55.438 54.000 -0.283 0.000 0.844 128 D CB -0.114 40.539 40.800 -0.245 0.000 0.944 128 D HN 0.489 nan 8.370 nan 0.000 0.447 129 V N -1.424 118.106 119.914 -0.641 0.000 3.305 129 V HA -0.132 3.987 4.120 -0.001 0.000 0.269 129 V C 1.057 176.680 176.094 -0.786 0.000 1.157 129 V CA 0.936 62.841 62.300 -0.659 0.000 1.157 129 V CB -1.135 30.212 31.823 -0.793 0.000 0.772 129 V HN 0.068 nan 8.190 nan 0.000 0.498 130 Y N 0.163 120.015 120.300 -0.747 0.000 2.571 130 Y HA 0.441 4.991 4.550 -0.001 0.000 0.275 130 Y C 1.024 176.526 175.900 -0.662 0.000 1.179 130 Y CA -1.884 55.488 58.100 -1.213 0.000 1.242 130 Y CB -1.048 36.978 38.460 -0.722 0.000 1.126 130 Y HN 0.237 nan 8.280 nan 0.000 0.524 131 N N 1.334 119.883 118.700 -0.253 0.000 2.434 131 N HA -0.015 4.725 4.740 -0.001 0.000 0.268 131 N C 1.343 176.565 175.510 -0.480 0.000 1.256 131 N CA 0.643 53.546 53.050 -0.245 0.000 0.914 131 N CB 1.342 39.763 38.487 -0.109 0.000 1.088 131 N HN 0.515 nan 8.380 nan 0.000 0.478 132 G N 3.498 111.399 108.800 -1.498 0.000 2.650 132 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.214 132 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.214 132 G C 1.460 175.744 174.900 -1.026 0.000 1.136 132 G CA 0.393 44.761 45.100 -1.220 0.000 0.789 132 G HN 0.742 nan 8.290 nan 0.000 0.536 133 K N -0.176 119.465 120.400 -1.265 0.000 2.097 133 K HA -0.142 4.178 4.320 -0.001 0.000 0.206 133 K C 1.833 178.199 176.600 -0.389 0.000 1.049 133 K CA 1.122 56.998 56.287 -0.684 0.000 0.933 133 K CB -0.605 31.563 32.500 -0.553 0.000 0.717 133 K HN 0.393 nan 8.250 nan 0.000 0.442 134 Y N 1.017 121.235 120.300 -0.137 0.000 2.200 134 Y HA -0.172 4.378 4.550 -0.001 0.000 0.290 134 Y C 2.459 178.354 175.900 -0.008 0.000 1.137 134 Y CA 0.496 58.577 58.100 -0.033 0.000 1.163 134 Y CB -0.313 38.106 38.460 -0.068 0.000 0.988 134 Y HN 0.004 nan 8.280 nan 0.000 0.518 135 L N 0.294 121.549 121.223 0.055 0.000 2.005 135 L HA -0.120 4.219 4.340 -0.001 0.000 0.207 135 L C 2.464 179.348 176.870 0.023 0.000 1.072 135 L CA 1.871 56.699 54.840 -0.020 0.000 0.744 135 L CB -1.376 40.587 42.059 -0.160 0.000 0.895 135 L HN 0.181 nan 8.230 nan 0.000 0.433 136 A N -1.344 121.497 122.820 0.035 0.000 1.873 136 A HA -0.345 3.974 4.320 -0.001 0.000 0.218 136 A C 2.372 180.036 177.584 0.133 0.000 1.193 136 A CA 2.200 54.307 52.037 0.116 0.000 0.629 136 A CB -1.355 17.768 19.000 0.205 0.000 0.826 136 A HN 0.611 nan 8.150 nan 0.000 0.447 137 Y N 0.851 121.169 120.300 0.029 0.000 2.114 137 Y HA -0.207 4.343 4.550 -0.001 0.000 0.284 137 Y C 2.739 178.665 175.900 0.042 0.000 1.143 137 Y CA 2.518 60.641 58.100 0.039 0.000 1.135 137 Y CB -0.485 37.984 38.460 0.015 0.000 0.980 137 Y HN 0.315 nan 8.280 nan 0.000 0.499 138 T N 0.093 114.637 114.554 -0.017 0.000 2.777 138 T HA -0.117 4.233 4.350 -0.001 0.000 0.266 138 T C 1.335 175.974 174.700 -0.101 0.000 1.040 138 T CA 1.607 63.636 62.100 -0.119 0.000 1.141 138 T CB -0.100 68.785 68.868 0.029 0.000 0.868 138 T HN 0.298 nan 8.240 nan 0.000 0.444 139 E N 0.253 120.439 120.200 -0.025 0.000 2.481 139 E HA 0.147 4.496 4.350 -0.001 0.000 0.198 139 E C 0.343 176.945 176.600 0.003 0.000 1.027 139 E CA 0.033 56.444 56.400 0.018 0.000 0.900 139 E CB 0.231 29.953 29.700 0.036 0.000 0.993 139 E HN 0.548 nan 8.360 nan 0.000 0.482 140 E N 0.004 120.194 120.200 -0.016 0.000 2.442 140 E HA -0.158 4.192 4.350 -0.001 0.000 0.256 140 E C -0.557 176.067 176.600 0.040 0.000 1.095 140 E CA 0.394 56.798 56.400 0.006 0.000 0.747 140 E CB -1.301 28.393 29.700 -0.010 0.000 1.310 140 E HN 0.125 nan 8.360 nan 0.000 0.396 141 V N -3.137 116.811 119.914 0.057 0.000 2.919 141 V HA 0.754 4.873 4.120 -0.001 0.000 0.316 141 V C 0.512 176.680 176.094 0.122 0.000 1.077 141 V CA -0.914 61.427 62.300 0.068 0.000 0.977 141 V CB 2.132 33.979 31.823 0.039 0.000 1.039 141 V HN -0.040 nan 8.190 nan 0.000 0.441 142 V N 3.892 123.887 119.914 0.135 0.000 2.408 142 V HA 0.348 4.468 4.120 -0.001 0.000 0.267 142 V C -0.026 176.197 176.094 0.216 0.000 1.047 142 V CA -0.045 62.367 62.300 0.187 0.000 0.937 142 V CB 0.948 32.865 31.823 0.158 0.000 0.999 142 V HN 0.780 nan 8.190 nan 0.000 0.472 143 L N 7.234 128.645 121.223 0.312 0.000 2.276 143 L HA 0.573 4.913 4.340 -0.001 0.000 0.286 143 L C -0.393 176.776 176.870 0.497 0.000 1.024 143 L CA 0.089 55.163 54.840 0.390 0.000 0.826 143 L CB 1.374 43.659 42.059 0.378 0.000 1.211 143 L HN 0.441 nan 8.230 nan 0.000 0.422 144 V N 3.371 123.533 119.914 0.414 0.000 2.547 144 V HA 0.628 4.747 4.120 -0.001 0.000 0.299 144 V C -0.075 176.295 176.094 0.460 0.000 1.040 144 V CA -0.483 62.035 62.300 0.364 0.000 0.913 144 V CB 1.803 33.762 31.823 0.227 0.000 0.992 144 V HN 0.850 nan 8.190 nan 0.000 0.449 145 S N 4.692 120.671 115.700 0.464 0.000 2.519 145 S HA 0.795 5.265 4.470 -0.001 0.000 0.309 145 S C -0.677 174.094 174.600 0.284 0.000 1.100 145 S CA -0.822 57.648 58.200 0.449 0.000 1.059 145 S CB 1.538 65.111 63.200 0.622 0.000 1.008 145 S HN 0.633 nan 8.310 nan 0.000 0.478 146 L N 1.197 122.513 121.223 0.155 0.000 2.770 146 L HA 0.982 5.322 4.340 -0.001 0.000 0.229 146 L C 0.288 177.263 176.870 0.176 0.000 1.173 146 L CA -0.549 54.343 54.840 0.087 0.000 0.871 146 L CB -0.417 41.562 42.059 -0.134 0.000 1.682 146 L HN 0.960 nan 8.230 nan 0.000 0.523 147 S N -2.121 113.725 115.700 0.243 0.000 2.615 147 S HA 0.831 5.300 4.470 -0.001 0.000 0.269 147 S C -1.385 173.422 174.600 0.345 0.000 1.161 147 S CA -0.380 57.982 58.200 0.270 0.000 0.817 147 S CB 1.330 64.765 63.200 0.391 0.000 1.131 147 S HN 1.460 nan 8.310 nan 0.000 0.467 148 Y N -1.679 118.725 120.300 0.172 0.000 2.573 148 Y HA 0.658 5.207 4.550 -0.001 0.000 0.328 148 Y C -1.008 175.017 175.900 0.209 0.000 1.170 148 Y CA -1.309 56.880 58.100 0.148 0.000 1.078 148 Y CB 0.615 39.104 38.460 0.048 0.000 1.341 148 Y HN 0.830 nan 8.280 nan 0.000 0.459 149 R N 2.172 122.802 120.500 0.217 0.000 2.537 149 R HA 0.507 4.847 4.340 -0.001 0.000 0.280 149 R C 0.092 176.564 176.300 0.286 0.000 1.058 149 R CA 0.016 56.206 56.100 0.150 0.000 1.057 149 R CB 0.875 31.235 30.300 0.101 0.000 0.973 149 R HN 0.687 nan 8.270 nan 0.000 0.438 150 V N 0.132 120.227 119.914 0.301 0.000 3.240 150 V HA 0.835 4.954 4.120 -0.001 0.000 0.306 150 V C 0.954 177.371 176.094 0.538 0.000 1.227 150 V CA -0.171 62.425 62.300 0.494 0.000 1.047 150 V CB 0.784 32.788 31.823 0.302 0.000 1.203 150 V HN 0.937 nan 8.190 nan 0.000 0.471 151 G N 0.176 109.306 108.800 0.550 0.000 2.602 151 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.306 151 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.306 151 G C 1.081 176.169 174.900 0.313 0.000 1.301 151 G CA 1.446 46.834 45.100 0.480 0.000 0.974 151 G HN 2.196 nan 8.290 nan 0.000 0.547 152 A N -1.441 121.269 122.820 -0.183 0.000 2.014 152 A HA 0.391 4.710 4.320 -0.001 0.000 0.218 152 A C 2.196 179.605 177.584 -0.291 0.000 1.163 152 A CA 2.086 53.641 52.037 -0.803 0.000 0.652 152 A CB -0.373 17.852 19.000 -1.291 0.000 0.808 152 A HN 0.732 nan 8.150 nan 0.000 0.449 153 F N 0.246 120.239 119.950 0.071 0.000 2.171 153 F HA -0.040 4.486 4.527 -0.001 0.000 0.300 153 F C 2.489 178.297 175.800 0.014 0.000 1.090 153 F CA 1.253 59.277 58.000 0.040 0.000 1.293 153 F CB -0.679 38.303 39.000 -0.029 0.000 1.013 153 F HN 0.285 nan 8.300 nan 0.000 0.486 154 G N -2.195 106.710 108.800 0.175 0.000 2.662 154 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.212 154 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.212 154 G C 0.757 175.254 174.900 -0.672 0.000 1.141 154 G CA 0.224 45.186 45.100 -0.231 0.000 0.797 154 G HN 0.354 nan 8.290 nan 0.000 0.531 155 F N -0.689 119.336 119.950 0.125 0.000 2.936 155 F HA 0.419 4.945 4.527 -0.001 0.000 0.334 155 F C 0.191 176.037 175.800 0.075 0.000 1.170 155 F CA -0.983 57.076 58.000 0.099 0.000 1.104 155 F CB 0.416 39.497 39.000 0.136 0.000 1.216 155 F HN -0.086 nan 8.300 nan 0.000 0.518 156 L N 2.091 123.319 121.223 0.009 0.000 2.455 156 L HA 0.605 4.945 4.340 -0.001 0.000 0.272 156 L C 0.097 176.944 176.870 -0.040 0.000 1.174 156 L CA 0.141 54.887 54.840 -0.157 0.000 0.869 156 L CB 0.685 42.382 42.059 -0.603 0.000 1.130 156 L HN 0.138 nan 8.230 nan 0.000 0.474 157 A N 6.881 129.722 122.820 0.034 0.000 2.410 157 A HA 0.595 4.914 4.320 -0.001 0.000 0.289 157 A C -0.911 176.690 177.584 0.029 0.000 1.200 157 A CA -0.466 51.600 52.037 0.049 0.000 0.751 157 A CB 0.530 19.590 19.000 0.101 0.000 1.161 157 A HN 0.704 nan 8.150 nan 0.000 0.459 158 L N 3.602 124.830 121.223 0.009 0.000 2.426 158 L HA 0.254 4.593 4.340 -0.001 0.000 0.255 158 L C 0.240 177.148 176.870 0.064 0.000 1.080 158 L CA -0.773 54.079 54.840 0.020 0.000 0.960 158 L CB 0.149 42.191 42.059 -0.027 0.000 1.326 158 L HN 0.864 nan 8.230 nan 0.000 0.441 159 H N 1.908 120.982 119.070 0.005 0.000 3.115 159 H HA 0.209 4.764 4.556 -0.001 0.000 0.324 159 H C 1.201 176.537 175.328 0.013 0.000 1.007 159 H CA 1.628 57.685 56.048 0.016 0.000 1.385 159 H CB 0.783 30.557 29.762 0.020 0.000 1.351 159 H HN 0.690 nan 8.280 nan 0.000 0.592 160 G N 2.552 111.040 108.800 -0.519 0.000 2.345 160 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.218 160 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.218 160 G C 0.577 175.383 174.900 -0.157 0.000 1.058 160 G CA 0.326 45.231 45.100 -0.326 0.000 0.632 160 G HN 0.967 nan 8.290 nan 0.000 0.508 161 S N 0.107 115.752 115.700 -0.092 0.000 2.603 161 S HA 0.559 5.029 4.470 -0.001 0.000 0.268 161 S C 1.037 175.618 174.600 -0.032 0.000 1.317 161 S CA 0.730 58.904 58.200 -0.043 0.000 1.012 161 S CB 1.337 64.526 63.200 -0.019 0.000 0.926 161 S HN 0.290 nan 8.310 nan 0.000 0.539 162 Q N 0.695 120.490 119.800 -0.008 0.000 2.217 162 Q HA 0.217 4.556 4.340 -0.001 0.000 0.217 162 Q C 0.989 177.006 176.000 0.029 0.000 0.844 162 Q CA 0.012 55.819 55.803 0.007 0.000 0.957 162 Q CB 0.325 29.066 28.738 0.005 0.000 1.127 162 Q HN 0.686 nan 8.270 nan 0.000 0.503 163 E N 0.852 121.074 120.200 0.035 0.000 2.170 163 E HA 0.080 4.430 4.350 -0.001 0.000 0.191 163 E C 0.156 176.815 176.600 0.098 0.000 0.981 163 E CA 0.483 56.922 56.400 0.066 0.000 0.830 163 E CB 0.523 30.266 29.700 0.071 0.000 0.775 163 E HN 0.138 nan 8.360 nan 0.000 0.470 164 A N 1.343 124.200 122.820 0.061 0.000 3.156 164 A HA 0.332 4.651 4.320 -0.001 0.000 0.311 164 A C -2.217 175.383 177.584 0.026 0.000 1.129 164 A CA -0.928 51.140 52.037 0.052 0.000 0.809 164 A CB 0.807 19.770 19.000 -0.061 0.000 1.257 164 A HN -0.122 nan 8.150 nan 0.000 0.491 165 P HA 0.209 nan 4.420 nan 0.000 0.235 165 P C 0.880 178.235 177.300 0.091 0.000 1.177 165 P CA 1.533 64.670 63.100 0.061 0.000 0.785 165 P CB 0.318 32.054 31.700 0.061 0.000 0.885 166 G N 0.708 109.546 108.800 0.064 0.000 2.699 166 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.686 166 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.686 166 G C -0.065 174.849 174.900 0.023 0.000 1.301 166 G CA -0.254 44.889 45.100 0.072 0.000 0.816 166 G HN 0.085 nan 8.290 nan 0.000 0.595 167 N N -2.640 116.066 118.700 0.011 0.000 2.936 167 N HA -0.286 4.454 4.740 -0.001 0.000 0.236 167 N C 1.974 177.326 175.510 -0.264 0.000 0.930 167 N CA 2.656 55.635 53.050 -0.118 0.000 0.966 167 N CB -1.633 36.725 38.487 -0.214 0.000 1.090 167 N HN 1.955 nan 8.380 nan 0.000 0.592 168 V N -2.069 117.691 119.914 -0.257 0.000 2.490 168 V HA -0.019 4.100 4.120 -0.001 0.000 0.250 168 V C 2.338 178.295 176.094 -0.229 0.000 1.061 168 V CA 2.504 64.699 62.300 -0.175 0.000 1.064 168 V CB -1.072 30.704 31.823 -0.078 0.000 0.670 168 V HN 0.292 nan 8.190 nan 0.000 0.461 169 G N 0.621 109.080 108.800 -0.568 0.000 2.513 169 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.219 169 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.219 169 G C 1.584 176.434 174.900 -0.084 0.000 1.160 169 G CA 1.494 46.369 45.100 -0.376 0.000 0.767 169 G HN 0.553 nan 8.290 nan 0.000 0.571 170 L N -0.167 120.969 121.223 -0.146 0.000 2.093 170 L HA 0.029 4.369 4.340 -0.001 0.000 0.208 170 L C 2.892 179.819 176.870 0.096 0.000 1.085 170 L CA 0.450 55.219 54.840 -0.118 0.000 0.755 170 L CB -0.299 41.384 42.059 -0.628 0.000 0.904 170 L HN 0.203 nan 8.230 nan 0.000 0.435 171 L N -0.670 120.598 121.223 0.075 0.000 2.131 171 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 171 L C 2.152 179.109 176.870 0.145 0.000 1.092 171 L CA 0.833 55.775 54.840 0.171 0.000 0.759 171 L CB -0.673 41.464 42.059 0.130 0.000 0.903 171 L HN 0.275 nan 8.230 nan 0.000 0.435 172 D N 0.049 120.527 120.400 0.131 0.000 2.104 172 D HA -0.214 4.426 4.640 -0.001 0.000 0.194 172 D C 2.291 178.674 176.300 0.139 0.000 0.994 172 D CA 1.235 55.370 54.000 0.224 0.000 0.830 172 D CB -0.176 40.792 40.800 0.281 0.000 0.959 172 D HN 0.409 nan 8.370 nan 0.000 0.452 173 Q N -0.052 119.793 119.800 0.076 0.000 2.084 173 Q HA -0.100 4.240 4.340 -0.001 0.000 0.202 173 Q C 2.275 178.205 176.000 -0.116 0.000 0.978 173 Q CA 0.878 56.651 55.803 -0.049 0.000 0.844 173 Q CB -0.013 28.724 28.738 -0.001 0.000 0.898 173 Q HN 0.188 nan 8.270 nan 0.000 0.426 174 R N 0.406 120.916 120.500 0.016 0.000 2.115 174 R HA -0.094 4.246 4.340 -0.001 0.000 0.230 174 R C 2.106 178.382 176.300 -0.039 0.000 1.111 174 R CA 1.091 57.169 56.100 -0.036 0.000 0.976 174 R CB -0.069 30.304 30.300 0.121 0.000 0.870 174 R HN 0.269 nan 8.270 nan 0.000 0.445 175 M N 0.007 119.610 119.600 0.005 0.000 2.132 175 M HA -0.068 4.411 4.480 -0.001 0.000 0.263 175 M C 2.179 178.417 176.300 -0.103 0.000 1.065 175 M CA 1.834 57.162 55.300 0.046 0.000 1.122 175 M CB -0.038 32.684 32.600 0.202 0.000 1.365 175 M HN 0.283 nan 8.290 nan 0.000 0.411 176 A N 0.211 122.682 122.820 -0.582 0.000 1.986 176 A HA -0.173 4.147 4.320 -0.001 0.000 0.220 176 A C 1.968 179.406 177.584 -0.244 0.000 1.171 176 A CA 1.553 53.041 52.037 -0.915 0.000 0.640 176 A CB -1.007 17.186 19.000 -1.346 0.000 0.811 176 A HN 0.582 nan 8.150 nan 0.000 0.451 177 L N -1.568 119.557 121.223 -0.164 0.000 2.179 177 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 177 L C 2.708 179.620 176.870 0.071 0.000 1.096 177 L CA 1.100 55.917 54.840 -0.039 0.000 0.779 177 L CB -0.345 41.656 42.059 -0.098 0.000 0.922 177 L HN 0.387 nan 8.230 nan 0.000 0.443 178 Q N -0.150 119.689 119.800 0.064 0.000 2.096 178 Q HA -0.267 4.073 4.340 -0.001 0.000 0.204 178 Q C 1.972 178.097 176.000 0.209 0.000 0.982 178 Q CA 2.055 57.921 55.803 0.105 0.000 0.850 178 Q CB -0.454 28.342 28.738 0.097 0.000 0.901 178 Q HN 0.516 nan 8.270 nan 0.000 0.422 179 W N -0.952 120.367 121.300 0.031 0.000 2.418 179 W HA -0.082 4.577 4.660 -0.001 0.000 0.292 179 W C 1.826 178.396 176.519 0.085 0.000 1.213 179 W CA 1.300 58.692 57.345 0.078 0.000 1.283 179 W CB 0.001 29.512 29.460 0.085 0.000 1.119 179 W HN -0.023 nan 8.180 nan 0.000 0.542 180 V N 0.259 120.406 119.914 0.388 0.000 2.295 180 V HA -0.394 3.726 4.120 -0.001 0.000 0.246 180 V C 2.586 178.723 176.094 0.070 0.000 1.049 180 V CA 2.369 64.807 62.300 0.230 0.000 1.024 180 V CB -1.406 30.536 31.823 0.198 0.000 0.648 180 V HN 0.361 nan 8.190 nan 0.000 0.447 181 H N 0.385 119.462 119.070 0.012 0.000 2.353 181 H HA -0.212 4.343 4.556 -0.001 0.000 0.298 181 H C 1.917 177.189 175.328 -0.093 0.000 1.103 181 H CA 2.258 58.288 56.048 -0.029 0.000 1.293 181 H CB -0.059 29.695 29.762 -0.012 0.000 1.372 181 H HN 0.439 nan 8.280 nan 0.000 0.501 182 D N -0.184 120.188 120.400 -0.047 0.000 2.213 182 D HA -0.042 4.597 4.640 -0.001 0.000 0.205 182 D C 1.312 177.448 176.300 -0.273 0.000 0.961 182 D CA 0.658 54.566 54.000 -0.153 0.000 0.853 182 D CB 0.004 40.747 40.800 -0.095 0.000 0.967 182 D HN 0.449 nan 8.370 nan 0.000 0.496 183 N N -0.171 118.300 118.700 -0.381 0.000 2.159 183 N HA 0.047 4.787 4.740 -0.001 0.000 0.217 183 N C 1.293 176.754 175.510 -0.082 0.000 1.223 183 N CA -0.100 52.779 53.050 -0.285 0.000 0.896 183 N CB 1.302 39.261 38.487 -0.880 0.000 1.064 183 N HN 0.033 nan 8.380 nan 0.000 0.518 184 I N 2.710 123.217 120.570 -0.105 0.000 2.756 184 I HA -0.198 3.971 4.170 -0.001 0.000 0.262 184 I C 2.508 178.635 176.117 0.017 0.000 1.225 184 I CA 1.107 62.453 61.300 0.078 0.000 1.472 184 I CB -0.056 37.969 38.000 0.042 0.000 1.094 184 I HN 0.161 nan 8.210 nan 0.000 0.454 185 Q N -0.404 119.210 119.800 -0.310 0.000 2.124 185 Q HA -0.222 4.117 4.340 -0.001 0.000 0.202 185 Q C 1.709 177.468 176.000 -0.401 0.000 0.977 185 Q CA 1.680 57.225 55.803 -0.429 0.000 0.850 185 Q CB -0.929 27.416 28.738 -0.655 0.000 0.901 185 Q HN 0.447 nan 8.270 nan 0.000 0.429 186 F N -0.372 119.535 119.950 -0.072 0.000 2.771 186 F HA 0.113 4.640 4.527 -0.001 0.000 0.299 186 F C 0.675 176.280 175.800 -0.325 0.000 1.177 186 F CA 0.337 58.199 58.000 -0.230 0.000 1.450 186 F CB -0.056 38.719 39.000 -0.374 0.000 1.114 186 F HN -0.011 nan 8.300 nan 0.000 0.587 187 F N -0.765 119.187 119.950 0.003 0.000 2.654 187 F HA 0.435 4.962 4.527 -0.001 0.000 0.303 187 F C 1.696 177.509 175.800 0.022 0.000 1.099 187 F CA 0.135 58.127 58.000 -0.013 0.000 1.270 187 F CB 0.391 39.359 39.000 -0.054 0.000 1.024 187 F HN 0.028 nan 8.300 nan 0.000 0.548 188 G N 0.228 109.110 108.800 0.137 0.000 2.199 188 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.254 188 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.254 188 G C 0.833 175.776 174.900 0.071 0.000 0.982 188 G CA -0.174 44.980 45.100 0.091 0.000 0.632 188 G HN 0.720 nan 8.290 nan 0.000 0.529 189 G N -0.223 108.631 108.800 0.091 0.000 2.527 189 G HA2 0.424 4.384 3.960 -0.001 0.000 0.248 189 G HA3 0.424 4.384 3.960 -0.001 0.000 0.248 189 G C -0.474 174.418 174.900 -0.013 0.000 1.231 189 G CA 0.555 45.686 45.100 0.053 0.000 0.838 189 G HN 0.326 nan 8.290 nan 0.000 0.570 190 D N 1.298 121.688 120.400 -0.017 0.000 2.443 190 D HA 0.299 4.938 4.640 -0.001 0.000 0.221 190 D C -1.291 174.974 176.300 -0.058 0.000 1.097 190 D CA -2.439 51.531 54.000 -0.050 0.000 0.865 190 D CB 1.651 42.431 40.800 -0.034 0.000 1.034 190 D HN 0.047 nan 8.370 nan 0.000 0.511 191 P HA -0.085 nan 4.420 nan 0.000 0.239 191 P C 0.361 177.625 177.300 -0.059 0.000 1.184 191 P CA 0.679 63.716 63.100 -0.105 0.000 0.760 191 P CB -0.198 31.349 31.700 -0.255 0.000 0.884 192 K N -1.380 118.986 120.400 -0.056 0.000 2.493 192 K HA 0.242 4.561 4.320 -0.001 0.000 0.207 192 K C -0.244 176.344 176.600 -0.020 0.000 1.033 192 K CA -0.152 56.117 56.287 -0.030 0.000 1.161 192 K CB -0.292 32.182 32.500 -0.043 0.000 0.873 192 K HN -0.215 nan 8.250 nan 0.000 0.491 193 T N 1.214 115.762 114.554 -0.011 0.000 3.697 193 T HA 0.081 4.430 4.350 -0.001 0.000 0.260 193 T C -0.782 173.930 174.700 0.020 0.000 0.998 193 T CA -0.499 61.594 62.100 -0.012 0.000 1.128 193 T CB 0.782 69.631 68.868 -0.032 0.000 1.082 193 T HN 0.227 nan 8.240 nan 0.000 0.541 194 V N 1.244 121.197 119.914 0.065 0.000 2.432 194 V HA 0.609 4.729 4.120 -0.001 0.000 0.275 194 V C -0.240 175.949 176.094 0.158 0.000 1.043 194 V CA 0.155 62.523 62.300 0.113 0.000 0.925 194 V CB 1.118 33.025 31.823 0.141 0.000 0.985 194 V HN 0.360 nan 8.190 nan 0.000 0.466 195 T N 8.977 123.608 114.554 0.128 0.000 2.744 195 T HA 0.507 4.856 4.350 -0.001 0.000 0.291 195 T C 0.084 174.900 174.700 0.193 0.000 0.957 195 T CA -0.114 62.077 62.100 0.152 0.000 1.002 195 T CB 0.497 69.412 68.868 0.078 0.000 0.919 195 T HN 0.840 nan 8.240 nan 0.000 0.468 196 I N 1.925 122.574 120.570 0.131 0.000 2.472 196 I HA 0.821 4.991 4.170 -0.001 0.000 0.290 196 I C -0.678 175.595 176.117 0.260 0.000 1.016 196 I CA -0.891 60.468 61.300 0.099 0.000 1.348 196 I CB 0.743 38.595 38.000 -0.248 0.000 1.417 196 I HN 0.481 nan 8.210 nan 0.000 0.521 197 F N 3.122 123.095 119.950 0.037 0.000 2.619 197 F HA 0.994 5.520 4.527 -0.001 0.000 0.308 197 F C -0.465 175.303 175.800 -0.054 0.000 1.097 197 F CA -1.068 56.991 58.000 0.099 0.000 0.953 197 F CB 1.353 40.531 39.000 0.297 0.000 1.287 197 F HN 0.856 nan 8.300 nan 0.000 0.446 198 G N 1.186 109.845 108.800 -0.234 0.000 2.559 198 G HA2 0.491 4.451 3.960 -0.001 0.000 0.291 198 G HA3 0.491 4.451 3.960 -0.001 0.000 0.291 198 G C -2.539 172.162 174.900 -0.330 0.000 1.424 198 G CA -0.801 43.786 45.100 -0.855 0.000 0.786 198 G HN 0.866 nan 8.290 nan 0.000 0.485 199 E N 0.055 120.036 120.200 -0.365 0.000 2.238 199 E HA 0.582 4.931 4.350 -0.001 0.000 0.267 199 E C 0.860 177.420 176.600 -0.067 0.000 0.887 199 E CA 0.581 56.976 56.400 -0.008 0.000 0.769 199 E CB 1.990 31.821 29.700 0.218 0.000 1.187 199 E HN 1.680 nan 8.360 nan 0.000 0.416 200 S N 3.487 119.217 115.700 0.049 0.000 4.114 200 S HA -0.398 4.071 4.470 -0.001 0.000 0.618 200 S C 1.615 176.303 174.600 0.147 0.000 1.937 200 S CA 1.536 59.833 58.200 0.161 0.000 4.228 200 S CB -1.837 61.386 63.200 0.039 0.000 0.216 200 S HN 1.212 nan 8.310 nan 0.000 0.528 201 A N 1.838 124.634 122.820 -0.039 0.000 2.032 201 A HA 0.225 4.544 4.320 -0.001 0.000 0.221 201 A C 2.625 179.978 177.584 -0.385 0.000 1.165 201 A CA 2.588 54.409 52.037 -0.361 0.000 0.645 201 A CB -1.877 16.387 19.000 -1.227 0.000 0.807 201 A HN 1.906 nan 8.150 nan 0.000 0.453 202 G N -0.686 107.933 108.800 -0.301 0.000 2.394 202 G HA2 0.090 4.050 3.960 -0.001 0.000 0.215 202 G HA3 0.090 4.050 3.960 -0.001 0.000 0.215 202 G C 1.505 176.235 174.900 -0.283 0.000 1.165 202 G CA 1.119 45.995 45.100 -0.372 0.000 0.784 202 G HN 0.662 nan 8.290 nan 0.000 0.535 203 G N 1.234 109.928 108.800 -0.177 0.000 2.421 203 G HA2 0.021 3.981 3.960 -0.001 0.000 0.216 203 G HA3 0.021 3.981 3.960 -0.001 0.000 0.216 203 G C 2.070 176.884 174.900 -0.144 0.000 1.171 203 G CA 1.619 46.653 45.100 -0.109 0.000 0.775 203 G HN 0.618 nan 8.290 nan 0.000 0.543 204 A N 0.841 123.602 122.820 -0.099 0.000 1.883 204 A HA -0.040 4.280 4.320 -0.001 0.000 0.217 204 A C 2.701 180.229 177.584 -0.093 0.000 1.186 204 A CA 2.354 54.310 52.037 -0.135 0.000 0.624 204 A CB -0.858 18.085 19.000 -0.095 0.000 0.822 204 A HN 0.319 nan 8.150 nan 0.000 0.444 205 S N -0.463 115.205 115.700 -0.054 0.000 2.368 205 S HA -0.208 4.261 4.470 -0.001 0.000 0.226 205 S C 1.914 176.430 174.600 -0.139 0.000 1.044 205 S CA 1.708 59.846 58.200 -0.104 0.000 1.062 205 S CB -0.700 62.386 63.200 -0.189 0.000 0.931 205 S HN 0.372 nan 8.310 nan 0.000 0.440 206 V N 1.513 121.349 119.914 -0.130 0.000 2.255 206 V HA -0.183 3.937 4.120 -0.001 0.000 0.247 206 V C 2.677 178.714 176.094 -0.095 0.000 1.051 206 V CA 2.023 64.252 62.300 -0.117 0.000 1.018 206 V CB -1.604 30.134 31.823 -0.142 0.000 0.641 206 V HN 0.611 nan 8.190 nan 0.000 0.445 207 G N -0.720 107.969 108.800 -0.185 0.000 2.475 207 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.220 207 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.220 207 G C 1.577 176.472 174.900 -0.008 0.000 1.125 207 G CA 1.284 46.248 45.100 -0.227 0.000 0.755 207 G HN 0.483 nan 8.290 nan 0.000 0.565 208 M N -0.521 119.085 119.600 0.009 0.000 2.349 208 M HA 0.074 4.554 4.480 -0.001 0.000 0.266 208 M C 2.137 178.532 176.300 0.157 0.000 1.076 208 M CA 0.695 56.117 55.300 0.202 0.000 1.126 208 M CB -0.119 32.633 32.600 0.253 0.000 1.392 208 M HN 0.153 nan 8.290 nan 0.000 0.440 209 H N -0.158 119.014 119.070 0.170 0.000 2.502 209 H HA 0.118 4.673 4.556 -0.001 0.000 0.283 209 H C 2.047 177.570 175.328 0.326 0.000 1.015 209 H CA 1.047 57.198 56.048 0.171 0.000 1.298 209 H CB 0.031 29.794 29.762 0.001 0.000 1.411 209 H HN 0.393 nan 8.280 nan 0.000 0.556 210 I N 0.290 121.125 120.570 0.440 0.000 2.394 210 I HA -0.212 3.957 4.170 -0.001 0.000 0.251 210 I C 1.919 178.268 176.117 0.387 0.000 1.136 210 I CA 0.798 62.395 61.300 0.494 0.000 1.425 210 I CB 0.108 38.343 38.000 0.391 0.000 1.079 210 I HN 0.126 nan 8.210 nan 0.000 0.425 211 L N -0.941 120.476 121.223 0.323 0.000 2.168 211 L HA 0.031 4.370 4.340 -0.001 0.000 0.203 211 L C 1.461 178.436 176.870 0.175 0.000 1.078 211 L CA 0.149 55.181 54.840 0.319 0.000 0.780 211 L CB -0.223 42.063 42.059 0.379 0.000 0.939 211 L HN -0.020 nan 8.230 nan 0.000 0.451 212 S N 0.507 116.221 115.700 0.023 0.000 2.546 212 S HA 0.033 4.503 4.470 -0.001 0.000 0.290 212 S C -1.475 173.011 174.600 -0.190 0.000 1.262 212 S CA -1.166 56.852 58.200 -0.302 0.000 1.083 212 S CB 0.750 63.395 63.200 -0.926 0.000 0.859 212 S HN -0.054 nan 8.310 nan 0.000 0.495 213 P HA -0.045 nan 4.420 nan 0.000 0.216 213 P C 1.373 178.585 177.300 -0.147 0.000 1.150 213 P CA 1.025 64.056 63.100 -0.115 0.000 0.837 213 P CB -0.093 31.549 31.700 -0.096 0.000 0.786 214 G N -1.373 107.288 108.800 -0.231 0.000 2.776 214 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.209 214 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.209 214 G C 1.206 176.016 174.900 -0.150 0.000 1.145 214 G CA 0.428 45.410 45.100 -0.196 0.000 0.791 214 G HN 0.233 nan 8.290 nan 0.000 0.530 215 S N -0.520 115.116 115.700 -0.108 0.000 2.520 215 S HA 0.123 4.593 4.470 -0.001 0.000 0.219 215 S C 2.125 176.787 174.600 0.104 0.000 1.028 215 S CA -0.476 57.757 58.200 0.055 0.000 0.921 215 S CB 0.285 63.648 63.200 0.273 0.000 0.844 215 S HN 0.362 nan 8.310 nan 0.000 0.495 216 R N 1.901 122.397 120.500 -0.008 0.000 2.096 216 R HA -0.042 4.297 4.340 -0.001 0.000 0.235 216 R C 0.716 176.803 176.300 -0.356 0.000 1.127 216 R CA 1.425 57.429 56.100 -0.160 0.000 0.968 216 R CB -0.339 29.903 30.300 -0.097 0.000 0.861 216 R HN 0.285 nan 8.270 nan 0.000 0.440 217 D N 0.556 120.828 120.400 -0.212 0.000 2.355 217 D HA -0.013 4.626 4.640 -0.001 0.000 0.218 217 D C 1.284 177.462 176.300 -0.202 0.000 1.004 217 D CA 0.666 54.538 54.000 -0.212 0.000 0.880 217 D CB 0.159 40.863 40.800 -0.160 0.000 0.911 217 D HN 0.234 nan 8.370 nan 0.000 0.528 218 L N -0.011 121.122 121.223 -0.150 0.000 2.627 218 L HA 0.193 4.532 4.340 -0.001 0.000 0.232 218 L C -0.127 176.858 176.870 0.191 0.000 1.150 218 L CA -0.136 54.703 54.840 -0.002 0.000 0.917 218 L CB -0.598 41.484 42.059 0.037 0.000 1.104 218 L HN -0.081 nan 8.230 nan 0.000 0.445 219 F N -4.222 115.736 119.950 0.012 0.000 2.770 219 F HA 0.531 5.057 4.527 -0.001 0.000 0.313 219 F C 0.260 176.081 175.800 0.036 0.000 1.154 219 F CA -1.330 56.688 58.000 0.030 0.000 0.923 219 F CB 1.083 40.096 39.000 0.022 0.000 1.301 219 F HN -0.382 nan 8.300 nan 0.000 0.449 220 R N 0.691 121.279 120.500 0.146 0.000 2.103 220 R HA 0.508 4.847 4.340 -0.001 0.000 0.212 220 R C -0.108 176.259 176.300 0.111 0.000 1.107 220 R CA 0.981 57.099 56.100 0.029 0.000 1.025 220 R CB 0.331 30.645 30.300 0.024 0.000 0.929 220 R HN 0.794 nan 8.270 nan 0.000 0.456 221 R N -1.478 119.178 120.500 0.259 0.000 2.885 221 R HA 0.768 5.108 4.340 -0.001 0.000 0.260 221 R C -1.490 175.039 176.300 0.381 0.000 1.107 221 R CA -0.736 55.522 56.100 0.264 0.000 0.978 221 R CB 2.001 32.313 30.300 0.021 0.000 1.227 221 R HN 0.148 nan 8.270 nan 0.000 0.473 222 A N 1.046 124.081 122.820 0.357 0.000 2.486 222 A HA 0.703 5.023 4.320 -0.001 0.000 0.300 222 A C -1.205 176.483 177.584 0.173 0.000 1.048 222 A CA -0.608 51.564 52.037 0.226 0.000 0.696 222 A CB 1.300 20.391 19.000 0.152 0.000 1.278 222 A HN 0.554 nan 8.150 nan 0.000 0.405 223 I N 1.666 122.300 120.570 0.106 0.000 2.498 223 I HA 0.402 4.572 4.170 -0.001 0.000 0.290 223 I C -1.427 174.734 176.117 0.075 0.000 1.032 223 I CA -0.684 60.610 61.300 -0.011 0.000 1.073 223 I CB 2.019 39.996 38.000 -0.039 0.000 1.251 223 I HN 0.462 nan 8.210 nan 0.000 0.426 224 L N 6.491 127.733 121.223 0.032 0.000 2.342 224 L HA 0.403 4.742 4.340 -0.001 0.000 0.276 224 L C -0.534 176.428 176.870 0.152 0.000 0.997 224 L CA -0.188 54.675 54.840 0.037 0.000 0.838 224 L CB 1.532 43.542 42.059 -0.082 0.000 1.224 224 L HN 0.485 nan 8.230 nan 0.000 0.416 225 Q N 1.975 121.923 119.800 0.246 0.000 2.340 225 Q HA 0.454 4.794 4.340 -0.001 0.000 0.259 225 Q C 0.145 176.284 176.000 0.232 0.000 0.964 225 Q CA -0.531 55.490 55.803 0.363 0.000 0.900 225 Q CB 1.323 30.379 28.738 0.530 0.000 1.228 225 Q HN 0.625 nan 8.270 nan 0.000 0.449 226 S N 1.069 116.891 115.700 0.204 0.000 3.559 226 S HA -0.165 4.304 4.470 -0.001 0.000 0.369 226 S C 0.039 174.791 174.600 0.254 0.000 0.987 226 S CA 0.516 58.852 58.200 0.228 0.000 1.187 226 S CB -1.251 62.135 63.200 0.309 0.000 0.914 226 S HN 0.970 nan 8.310 nan 0.000 0.480 227 G N -0.372 108.514 108.800 0.142 0.000 2.691 227 G HA2 0.627 4.587 3.960 -0.001 0.000 0.298 227 G HA3 0.627 4.587 3.960 -0.001 0.000 0.298 227 G C -0.971 173.877 174.900 -0.086 0.000 1.471 227 G CA 0.149 45.341 45.100 0.152 0.000 0.912 227 G HN 1.162 nan 8.290 nan 0.000 0.553 228 S N 1.481 117.051 115.700 -0.217 0.000 2.579 228 S HA 0.799 5.269 4.470 -0.001 0.000 0.272 228 S C -2.253 172.062 174.600 -0.474 0.000 1.141 228 S CA -1.038 56.903 58.200 -0.432 0.000 0.843 228 S CB 2.873 65.800 63.200 -0.455 0.000 1.122 228 S HN 0.327 nan 8.310 nan 0.000 0.468 229 P HA -0.077 nan 4.420 nan 0.000 0.220 229 P C 0.514 177.592 177.300 -0.370 0.000 1.148 229 P CA 1.209 64.088 63.100 -0.367 0.000 0.803 229 P CB -0.377 31.165 31.700 -0.263 0.000 0.782 230 N N -0.937 117.572 118.700 -0.319 0.000 2.362 230 N HA -0.008 4.732 4.740 -0.001 0.000 0.204 230 N C 0.104 175.374 175.510 -0.399 0.000 1.166 230 N CA -0.243 52.643 53.050 -0.274 0.000 0.831 230 N CB -1.449 36.985 38.487 -0.088 0.000 1.008 230 N HN 0.032 nan 8.380 nan 0.000 0.472 231 C N 2.493 121.436 119.300 -0.595 0.000 2.679 231 C HA 0.089 4.549 4.460 -0.001 0.000 0.417 231 C C -0.240 174.250 174.990 -0.834 0.000 1.302 231 C CA -0.844 57.675 59.018 -0.830 0.000 1.973 231 C CB 1.107 28.023 27.740 -1.373 0.000 2.715 231 C HN 0.362 nan 8.230 nan 0.000 0.628 232 P HA -0.061 nan 4.420 nan 0.000 0.233 232 P C 1.060 178.131 177.300 -0.381 0.000 1.167 232 P CA 1.491 64.295 63.100 -0.494 0.000 0.770 232 P CB -0.049 31.380 31.700 -0.452 0.000 0.837 233 W N -1.497 119.649 121.300 -0.258 0.000 3.278 233 W HA 0.582 5.242 4.660 -0.000 0.000 0.308 233 W C 0.903 177.434 176.519 0.020 0.000 1.253 233 W CA 0.295 57.552 57.345 -0.147 0.000 1.759 233 W CB -0.917 28.447 29.460 -0.160 0.000 1.093 233 W HN -0.121 nan 8.180 nan 0.000 0.648 234 A N 1.292 123.800 122.820 -0.520 0.000 2.238 234 A HA 0.251 4.570 4.320 -0.001 0.000 0.210 234 A C 0.952 178.346 177.584 -0.316 0.000 1.179 234 A CA 0.971 52.812 52.037 -0.327 0.000 0.827 234 A CB -0.448 18.118 19.000 -0.723 0.000 0.856 234 A HN 0.194 nan 8.150 nan 0.000 0.488 235 S N -1.684 113.825 115.700 -0.319 0.000 2.615 235 S HA 0.686 5.155 4.470 -0.001 0.000 0.269 235 S C -0.844 173.612 174.600 -0.241 0.000 1.161 235 S CA -0.059 57.945 58.200 -0.326 0.000 0.817 235 S CB 1.326 64.268 63.200 -0.429 0.000 1.131 235 S HN 1.366 nan 8.310 nan 0.000 0.467 236 V N -1.257 118.535 119.914 -0.203 0.000 3.188 236 V HA 0.923 5.042 4.120 -0.001 0.000 0.305 236 V C 0.102 176.116 176.094 -0.133 0.000 1.232 236 V CA -0.438 61.771 62.300 -0.153 0.000 1.043 236 V CB 1.087 32.836 31.823 -0.123 0.000 1.068 236 V HN 1.536 nan 8.190 nan 0.000 0.439 237 S N 0.794 116.426 115.700 -0.112 0.000 2.634 237 S HA 0.383 4.852 4.470 -0.001 0.000 0.261 237 S C 1.354 175.903 174.600 -0.085 0.000 1.271 237 S CA 0.072 58.211 58.200 -0.101 0.000 0.985 237 S CB 1.277 64.426 63.200 -0.084 0.000 0.968 237 S HN 2.212 nan 8.310 nan 0.000 0.568 238 V N -1.234 118.621 119.914 -0.099 0.000 2.515 238 V HA 0.042 4.161 4.120 -0.001 0.000 0.250 238 V C 2.504 178.576 176.094 -0.036 0.000 1.058 238 V CA 1.653 63.903 62.300 -0.083 0.000 1.064 238 V CB -1.914 29.793 31.823 -0.194 0.000 0.675 238 V HN 1.009 nan 8.190 nan 0.000 0.461 239 A N 0.759 123.554 122.820 -0.042 0.000 1.865 239 A HA -0.250 4.070 4.320 -0.001 0.000 0.217 239 A C 2.217 179.777 177.584 -0.039 0.000 1.191 239 A CA 2.253 54.273 52.037 -0.029 0.000 0.623 239 A CB -0.803 18.179 19.000 -0.030 0.000 0.826 239 A HN 0.676 nan 8.150 nan 0.000 0.444 240 E N 0.021 120.187 120.200 -0.057 0.000 2.110 240 E HA -0.038 4.312 4.350 -0.001 0.000 0.193 240 E C 1.928 178.486 176.600 -0.071 0.000 0.988 240 E CA 1.567 57.921 56.400 -0.077 0.000 0.804 240 E CB -0.773 28.871 29.700 -0.093 0.000 0.745 240 E HN 0.410 nan 8.360 nan 0.000 0.458 241 G N 0.614 109.387 108.800 -0.045 0.000 2.402 241 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.216 241 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.216 241 G C 1.718 176.627 174.900 0.014 0.000 1.162 241 G CA 0.790 45.886 45.100 -0.007 0.000 0.777 241 G HN 0.331 nan 8.290 nan 0.000 0.539 242 R N 0.239 120.743 120.500 0.008 0.000 2.080 242 R HA -0.037 4.303 4.340 -0.001 0.000 0.236 242 R C 2.555 178.850 176.300 -0.007 0.000 1.137 242 R CA 1.502 57.607 56.100 0.009 0.000 0.943 242 R CB -0.450 29.860 30.300 0.018 0.000 0.846 242 R HN 0.241 nan 8.270 nan 0.000 0.431 243 R N 0.571 121.056 120.500 -0.025 0.000 2.096 243 R HA -0.177 4.162 4.340 -0.001 0.000 0.240 243 R C 2.220 178.493 176.300 -0.045 0.000 1.139 243 R CA 2.207 58.283 56.100 -0.041 0.000 0.952 243 R CB -0.157 30.106 30.300 -0.062 0.000 0.854 243 R HN 0.366 nan 8.270 nan 0.000 0.436 244 R N -0.486 119.980 120.500 -0.057 0.000 2.115 244 R HA -0.000 4.340 4.340 -0.001 0.000 0.226 244 R C 2.353 178.687 176.300 0.056 0.000 1.100 244 R CA 0.979 57.038 56.100 -0.070 0.000 0.980 244 R CB -0.273 29.898 30.300 -0.215 0.000 0.875 244 R HN 0.221 nan 8.270 nan 0.000 0.445 245 A N 1.142 124.018 122.820 0.093 0.000 1.865 245 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 245 A C 2.386 179.975 177.584 0.008 0.000 1.191 245 A CA 1.576 53.655 52.037 0.070 0.000 0.623 245 A CB -0.763 18.232 19.000 -0.008 0.000 0.826 245 A HN 0.088 nan 8.150 nan 0.000 0.444 246 V N 0.133 120.044 119.914 -0.006 0.000 2.252 246 V HA -0.312 3.808 4.120 -0.001 0.000 0.249 246 V C 2.623 178.716 176.094 -0.002 0.000 1.056 246 V CA 2.632 64.926 62.300 -0.010 0.000 1.022 246 V CB -0.909 30.907 31.823 -0.012 0.000 0.641 246 V HN 0.741 nan 8.190 nan 0.000 0.445 247 E N 0.017 120.215 120.200 -0.003 0.000 2.130 247 E HA -0.259 4.090 4.350 -0.001 0.000 0.196 247 E C 1.888 178.502 176.600 0.023 0.000 0.998 247 E CA 1.506 57.906 56.400 -0.000 0.000 0.806 247 E CB -0.473 29.214 29.700 -0.023 0.000 0.738 247 E HN 0.416 nan 8.360 nan 0.000 0.459 248 L N 0.054 121.308 121.223 0.053 0.000 1.970 248 L HA -0.074 4.265 4.340 -0.001 0.000 0.212 248 L C 2.262 179.151 176.870 0.032 0.000 1.071 248 L CA 2.653 57.541 54.840 0.079 0.000 0.751 248 L CB -1.334 40.793 42.059 0.113 0.000 0.889 248 L HN 0.260 nan 8.230 nan 0.000 0.432 249 G N -0.897 107.906 108.800 0.005 0.000 2.529 249 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.219 249 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.219 249 G C 1.813 176.721 174.900 0.013 0.000 1.177 249 G CA 1.031 46.131 45.100 -0.000 0.000 0.773 249 G HN 0.459 nan 8.290 nan 0.000 0.573 250 R N 0.455 120.963 120.500 0.013 0.000 2.139 250 R HA -0.082 4.258 4.340 -0.001 0.000 0.243 250 R C 2.231 178.545 176.300 0.023 0.000 1.145 250 R CA 1.465 57.575 56.100 0.016 0.000 0.976 250 R CB -0.323 29.983 30.300 0.010 0.000 0.866 250 R HN 0.411 nan 8.270 nan 0.000 0.449 251 N N 0.093 118.811 118.700 0.030 0.000 2.396 251 N HA -0.092 4.648 4.740 -0.001 0.000 0.180 251 N C 0.854 176.388 175.510 0.041 0.000 1.028 251 N CA 0.801 53.874 53.050 0.040 0.000 0.893 251 N CB 0.182 38.700 38.487 0.053 0.000 0.967 251 N HN 0.259 nan 8.380 nan 0.000 0.440 252 L N 0.809 122.054 121.223 0.036 0.000 2.818 252 L HA 0.218 4.558 4.340 -0.001 0.000 0.243 252 L C -0.234 176.656 176.870 0.033 0.000 1.185 252 L CA -0.149 54.714 54.840 0.037 0.000 0.988 252 L CB -0.163 41.918 42.059 0.036 0.000 1.292 252 L HN 0.010 nan 8.230 nan 0.000 0.519 253 N N -0.794 117.924 118.700 0.030 0.000 2.740 253 N HA -0.173 4.567 4.740 -0.001 0.000 0.248 253 N C -0.157 175.370 175.510 0.029 0.000 1.062 253 N CA 0.510 53.577 53.050 0.028 0.000 0.704 253 N CB -1.902 36.602 38.487 0.029 0.000 0.968 253 N HN 0.312 nan 8.380 nan 0.000 0.547 254 c N 0.992 119.609 118.600 0.027 0.000 2.534 254 c HA 0.209 4.779 4.570 -0.001 0.000 0.385 254 c C 1.472 175.580 174.090 0.029 0.000 1.264 254 c CA -0.883 55.465 56.329 0.031 0.000 2.342 254 c CB 0.825 43.350 42.510 0.025 0.000 2.564 254 c HN 0.380 nan 8.230 nan 0.000 0.603 255 N N 1.838 120.560 118.700 0.036 0.000 2.434 255 N HA 0.054 4.794 4.740 -0.001 0.000 0.268 255 N C -0.022 175.501 175.510 0.023 0.000 1.256 255 N CA 0.281 53.348 53.050 0.029 0.000 0.914 255 N CB 0.237 38.745 38.487 0.036 0.000 1.088 255 N HN 0.581 nan 8.380 nan 0.000 0.478 256 L N 2.067 123.299 121.223 0.015 0.000 2.848 256 L HA 0.179 4.518 4.340 -0.001 0.000 0.240 256 L C 1.865 178.739 176.870 0.006 0.000 1.232 256 L CA -0.111 54.734 54.840 0.009 0.000 1.031 256 L CB -0.913 41.149 42.059 0.005 0.000 1.338 256 L HN 0.574 nan 8.230 nan 0.000 0.509 257 N N 0.304 119.009 118.700 0.008 0.000 2.422 257 N HA 0.045 4.784 4.740 -0.001 0.000 0.181 257 N C 0.783 176.294 175.510 0.003 0.000 1.080 257 N CA 0.804 53.857 53.050 0.005 0.000 0.893 257 N CB 0.367 38.856 38.487 0.004 0.000 0.973 257 N HN 0.467 nan 8.380 nan 0.000 0.456 258 S N -2.205 113.498 115.700 0.004 0.000 2.547 258 S HA 0.397 4.867 4.470 -0.001 0.000 0.270 258 S C -0.742 173.860 174.600 0.004 0.000 1.150 258 S CA -0.394 57.808 58.200 0.003 0.000 0.850 258 S CB 1.369 64.570 63.200 0.002 0.000 1.118 258 S HN -0.006 nan 8.310 nan 0.000 0.461 259 D N 1.367 121.767 120.400 -0.000 0.000 2.133 259 D HA -0.101 4.538 4.640 -0.001 0.000 0.195 259 D C 1.503 177.809 176.300 0.010 0.000 0.997 259 D CA 2.088 56.085 54.000 -0.004 0.000 0.840 259 D CB -0.147 40.648 40.800 -0.008 0.000 0.947 259 D HN 0.741 nan 8.370 nan 0.000 0.452 260 E N 0.633 120.843 120.200 0.017 0.000 2.106 260 E HA -0.093 4.257 4.350 -0.001 0.000 0.192 260 E C 1.995 178.631 176.600 0.060 0.000 0.984 260 E CA 0.660 57.082 56.400 0.037 0.000 0.806 260 E CB -0.176 29.537 29.700 0.021 0.000 0.750 260 E HN 0.316 nan 8.360 nan 0.000 0.458 261 E N 0.314 120.537 120.200 0.039 0.000 2.077 261 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 261 E C 2.067 178.718 176.600 0.085 0.000 0.989 261 E CA 0.742 57.174 56.400 0.053 0.000 0.800 261 E CB -0.223 29.492 29.700 0.025 0.000 0.746 261 E HN 0.180 nan 8.360 nan 0.000 0.452 262 L N 1.172 122.422 121.223 0.045 0.000 2.027 262 L HA -0.101 4.239 4.340 -0.001 0.000 0.206 262 L C 2.189 179.072 176.870 0.022 0.000 1.074 262 L CA 1.402 56.255 54.840 0.021 0.000 0.745 262 L CB -0.634 41.417 42.059 -0.014 0.000 0.898 262 L HN 0.025 nan 8.230 nan 0.000 0.433 263 I N -0.762 119.824 120.570 0.027 0.000 2.226 263 I HA -0.331 3.839 4.170 -0.001 0.000 0.245 263 I C 2.630 178.826 176.117 0.132 0.000 1.100 263 I CA 1.512 62.843 61.300 0.053 0.000 1.374 263 I CB -0.679 37.363 38.000 0.071 0.000 1.057 263 I HN 0.470 nan 8.210 nan 0.000 0.413 264 H N 0.541 119.647 119.070 0.060 0.000 2.289 264 H HA -0.309 4.247 4.556 -0.001 0.000 0.296 264 H C 2.515 177.881 175.328 0.064 0.000 1.091 264 H CA 2.505 58.590 56.048 0.060 0.000 1.274 264 H CB -0.233 29.552 29.762 0.038 0.000 1.364 264 H HN 0.540 nan 8.280 nan 0.000 0.490 265 c N 1.009 119.659 118.600 0.084 0.000 2.413 265 c HA -0.129 4.441 4.570 -0.001 0.000 0.276 265 c C 3.090 177.187 174.090 0.011 0.000 1.236 265 c CA 1.076 57.427 56.329 0.037 0.000 1.735 265 c CB -1.429 41.122 42.510 0.069 0.000 2.031 265 c HN 0.572 nan 8.230 nan 0.000 0.474 266 L N 0.342 121.596 121.223 0.052 0.000 2.127 266 L HA -0.124 4.215 4.340 -0.001 0.000 0.211 266 L C 2.997 179.964 176.870 0.163 0.000 1.089 266 L CA 1.703 56.617 54.840 0.123 0.000 0.757 266 L CB -0.720 41.412 42.059 0.122 0.000 0.899 266 L HN 0.369 nan 8.230 nan 0.000 0.434 267 R N -0.453 120.109 120.500 0.103 0.000 2.193 267 R HA -0.069 4.271 4.340 -0.001 0.000 0.213 267 R C 1.837 178.085 176.300 -0.088 0.000 1.055 267 R CA 0.460 56.553 56.100 -0.012 0.000 0.995 267 R CB 0.001 30.278 30.300 -0.038 0.000 0.893 267 R HN 0.274 nan 8.270 nan 0.000 0.459 268 E N 0.755 120.878 120.200 -0.128 0.000 2.435 268 E HA 0.005 4.355 4.350 -0.001 0.000 0.195 268 E C 0.041 176.626 176.600 -0.025 0.000 1.029 268 E CA 0.611 56.952 56.400 -0.099 0.000 0.865 268 E CB 0.227 29.852 29.700 -0.125 0.000 0.833 268 E HN 0.078 nan 8.360 nan 0.000 0.510 269 K N 1.287 121.690 120.400 0.004 0.000 2.270 269 K HA 0.118 4.437 4.320 -0.001 0.000 0.276 269 K C 0.285 176.916 176.600 0.053 0.000 1.023 269 K CA -0.197 56.111 56.287 0.034 0.000 0.955 269 K CB 0.881 33.411 32.500 0.049 0.000 0.975 269 K HN -0.269 nan 8.250 nan 0.000 0.471 270 K N 2.678 123.112 120.400 0.057 0.000 2.414 270 K HA 0.031 4.350 4.320 -0.001 0.000 0.272 270 K C -1.566 175.108 176.600 0.123 0.000 0.993 270 K CA -1.053 55.275 56.287 0.067 0.000 0.964 270 K CB 0.212 32.744 32.500 0.054 0.000 0.925 270 K HN 0.431 nan 8.250 nan 0.000 0.487 271 P HA -0.237 nan 4.420 nan 0.000 0.215 271 P C 1.373 178.844 177.300 0.286 0.000 1.163 271 P CA 1.266 64.539 63.100 0.288 0.000 0.894 271 P CB 0.142 31.890 31.700 0.079 0.000 0.791 272 Q N -0.090 119.809 119.800 0.165 0.000 2.364 272 Q HA -0.174 4.166 4.340 -0.001 0.000 0.209 272 Q C 1.824 177.915 176.000 0.152 0.000 0.977 272 Q CA 1.475 57.371 55.803 0.154 0.000 0.885 272 Q CB -0.777 28.020 28.738 0.098 0.000 0.941 272 Q HN 0.381 nan 8.270 nan 0.000 0.464 273 E N -0.907 119.373 120.200 0.133 0.000 2.107 273 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 273 E C 1.565 178.235 176.600 0.117 0.000 0.982 273 E CA 0.853 57.319 56.400 0.111 0.000 0.809 273 E CB 0.008 29.759 29.700 0.085 0.000 0.756 273 E HN 0.263 nan 8.360 nan 0.000 0.459 274 L N 0.668 121.964 121.223 0.121 0.000 2.056 274 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 274 L C 2.228 179.175 176.870 0.129 0.000 1.078 274 L CA 1.341 56.218 54.840 0.062 0.000 0.749 274 L CB -0.308 41.695 42.059 -0.092 0.000 0.901 274 L HN 0.118 nan 8.230 nan 0.000 0.433 275 I N -0.693 120.010 120.570 0.222 0.000 2.315 275 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 275 I C 1.850 178.143 176.117 0.292 0.000 1.117 275 I CA 0.913 62.386 61.300 0.289 0.000 1.404 275 I CB -0.369 37.836 38.000 0.342 0.000 1.071 275 I HN 0.221 nan 8.210 nan 0.000 0.419 276 D N 0.320 120.859 120.400 0.232 0.000 2.265 276 D HA -0.126 4.513 4.640 -0.001 0.000 0.208 276 D C 1.863 178.293 176.300 0.217 0.000 0.977 276 D CA 1.472 55.605 54.000 0.222 0.000 0.871 276 D CB 0.083 40.977 40.800 0.157 0.000 0.925 276 D HN 0.391 nan 8.370 nan 0.000 0.485 277 V N -2.710 117.316 119.914 0.186 0.000 3.477 277 V HA 0.210 4.329 4.120 -0.001 0.000 0.297 277 V C 1.696 177.885 176.094 0.159 0.000 1.433 277 V CA -0.036 62.361 62.300 0.163 0.000 1.052 277 V CB 0.423 32.316 31.823 0.116 0.000 0.895 277 V HN -0.079 nan 8.190 nan 0.000 0.438 278 E N 0.683 120.976 120.200 0.156 0.000 2.097 278 E HA -0.266 4.084 4.350 -0.001 0.000 0.196 278 E C 1.557 178.100 176.600 -0.094 0.000 1.000 278 E CA 2.524 58.972 56.400 0.080 0.000 0.804 278 E CB -0.206 29.487 29.700 -0.012 0.000 0.740 278 E HN 0.816 nan 8.360 nan 0.000 0.454 279 W N 0.801 122.104 121.300 0.005 0.000 2.800 279 W HA 0.026 4.686 4.660 -0.001 0.000 0.249 279 W C 1.564 178.053 176.519 -0.050 0.000 1.294 279 W CA 0.055 57.358 57.345 -0.069 0.000 1.402 279 W CB 0.047 29.433 29.460 -0.124 0.000 1.126 279 W HN 0.082 nan 8.180 nan 0.000 0.652 280 N N 0.173 118.970 118.700 0.160 0.000 2.571 280 N HA -0.089 4.650 4.740 -0.001 0.000 0.189 280 N C 1.565 177.091 175.510 0.026 0.000 1.154 280 N CA 1.332 54.439 53.050 0.095 0.000 0.907 280 N CB -0.320 38.219 38.487 0.085 0.000 0.977 280 N HN 0.267 nan 8.380 nan 0.000 0.449 281 V N -3.035 116.861 119.914 -0.029 0.000 3.643 281 V HA 0.282 4.401 4.120 -0.001 0.000 0.280 281 V C 0.770 176.771 176.094 -0.154 0.000 1.351 281 V CA -0.236 62.004 62.300 -0.101 0.000 1.073 281 V CB -0.361 31.368 31.823 -0.155 0.000 0.863 281 V HN -0.044 nan 8.190 nan 0.000 0.436 282 L N 2.739 123.891 121.223 -0.117 0.000 2.593 282 L HA 0.115 4.454 4.340 -0.001 0.000 0.287 282 L C -0.517 176.246 176.870 -0.178 0.000 1.243 282 L CA -0.426 54.343 54.840 -0.119 0.000 0.890 282 L CB 0.498 42.562 42.059 0.007 0.000 1.134 282 L HN 0.209 nan 8.230 nan 0.000 0.502 283 P HA 0.024 nan 4.420 nan 0.000 0.240 283 P C -0.269 176.660 177.300 -0.618 0.000 1.190 283 P CA 0.818 63.591 63.100 -0.545 0.000 0.781 283 P CB 0.326 31.508 31.700 -0.863 0.000 0.931 284 F N -0.290 119.664 119.950 0.007 0.000 2.654 284 F HA 0.442 4.969 4.527 -0.001 0.000 0.334 284 F C 0.315 176.128 175.800 0.023 0.000 1.078 284 F CA -1.626 56.384 58.000 0.017 0.000 0.986 284 F CB 0.141 39.156 39.000 0.026 0.000 1.362 284 F HN -0.372 nan 8.300 nan 0.000 0.498 285 D N 0.874 121.432 120.400 0.264 0.000 2.313 285 D HA 0.486 5.126 4.640 -0.001 0.000 0.239 285 D C -0.888 175.493 176.300 0.135 0.000 1.142 285 D CA 0.244 54.332 54.000 0.146 0.000 0.847 285 D CB 0.676 41.537 40.800 0.101 0.000 1.082 285 D HN 0.625 nan 8.370 nan 0.000 0.480 286 S N 2.568 118.336 115.700 0.114 0.000 2.567 286 S HA 0.597 5.066 4.470 -0.001 0.000 0.270 286 S C -1.182 173.467 174.600 0.081 0.000 1.152 286 S CA -0.966 57.296 58.200 0.104 0.000 0.835 286 S CB 0.703 63.997 63.200 0.157 0.000 1.115 286 S HN 0.317 nan 8.310 nan 0.000 0.459 287 I N 1.452 122.066 120.570 0.074 0.000 2.693 287 I HA 0.724 4.894 4.170 -0.001 0.000 0.303 287 I C -0.476 175.696 176.117 0.091 0.000 1.025 287 I CA -0.632 60.725 61.300 0.095 0.000 1.086 287 I CB 1.380 39.438 38.000 0.097 0.000 1.268 287 I HN 0.875 nan 8.210 nan 0.000 0.440 288 F N 4.982 124.842 119.950 -0.150 0.000 3.074 288 F HA -0.231 4.296 4.527 -0.001 0.000 0.287 288 F C -0.486 174.850 175.800 -0.773 0.000 0.932 288 F CA 0.473 58.112 58.000 -0.601 0.000 0.995 288 F CB -0.728 37.800 39.000 -0.787 0.000 0.966 288 F HN 0.393 nan 8.300 nan 0.000 0.721 289 R N 0.456 120.630 120.500 -0.544 0.000 2.673 289 R HA 0.710 5.050 4.340 -0.001 0.000 0.281 289 R C -1.009 174.972 176.300 -0.531 0.000 0.991 289 R CA -0.595 55.196 56.100 -0.515 0.000 0.896 289 R CB 1.518 31.765 30.300 -0.088 0.000 1.201 289 R HN -0.007 nan 8.270 nan 0.000 0.457 290 F N -1.083 118.957 119.950 0.150 0.000 2.588 290 F HA 0.386 4.913 4.527 -0.001 0.000 0.310 290 F C 1.390 177.067 175.800 -0.204 0.000 1.082 290 F CA -0.930 57.045 58.000 -0.043 0.000 0.929 290 F CB 1.761 40.854 39.000 0.156 0.000 1.254 290 F HN 0.336 nan 8.300 nan 0.000 0.455 291 S N 0.425 115.950 115.700 -0.292 0.000 2.345 291 S HA 0.047 4.517 4.470 -0.001 0.000 0.219 291 S C -0.035 174.090 174.600 -0.791 0.000 1.031 291 S CA 1.088 58.901 58.200 -0.644 0.000 0.984 291 S CB -0.187 62.455 63.200 -0.930 0.000 0.874 291 S HN 0.347 nan 8.310 nan 0.000 0.451 292 F N 1.787 121.740 119.950 0.004 0.000 2.403 292 F HA 0.578 5.105 4.527 -0.001 0.000 0.355 292 F C -0.026 175.767 175.800 -0.011 0.000 1.119 292 F CA -1.006 57.025 58.000 0.051 0.000 1.007 292 F CB 1.223 40.299 39.000 0.126 0.000 1.194 292 F HN -0.094 nan 8.300 nan 0.000 0.443 293 V N 0.725 120.605 119.914 -0.058 0.000 3.167 293 V HA 0.756 4.876 4.120 -0.001 0.000 0.310 293 V C -2.871 172.918 176.094 -0.509 0.000 1.207 293 V CA -3.263 58.691 62.300 -0.577 0.000 1.059 293 V CB 1.934 33.584 31.823 -0.289 0.000 1.079 293 V HN 0.256 nan 8.190 nan 0.000 0.446 294 P HA 0.219 nan 4.420 nan 0.000 0.267 294 P C -0.593 176.627 177.300 -0.133 0.000 1.195 294 P CA 0.312 63.243 63.100 -0.281 0.000 0.773 294 P CB 0.305 31.795 31.700 -0.349 0.000 0.837 295 V N 0.551 120.474 119.914 0.016 0.000 2.769 295 V HA 0.428 4.548 4.120 -0.001 0.000 0.312 295 V C 0.034 176.166 176.094 0.062 0.000 1.061 295 V CA -0.930 61.367 62.300 -0.004 0.000 0.931 295 V CB 1.885 33.727 31.823 0.032 0.000 1.010 295 V HN 0.220 nan 8.190 nan 0.000 0.433 296 I N 4.334 124.876 120.570 -0.048 0.000 2.311 296 I HA 0.227 4.396 4.170 -0.001 0.000 0.297 296 I C 0.631 176.763 176.117 0.025 0.000 1.131 296 I CA 0.146 61.440 61.300 -0.010 0.000 1.289 296 I CB 0.086 38.003 38.000 -0.138 0.000 1.446 296 I HN 0.963 nan 8.210 nan 0.000 0.524 297 D N 3.174 123.662 120.400 0.146 0.000 2.379 297 D HA 0.092 4.731 4.640 -0.001 0.000 0.208 297 D C 1.382 177.713 176.300 0.051 0.000 1.065 297 D CA 0.531 54.542 54.000 0.019 0.000 0.848 297 D CB 0.498 41.395 40.800 0.161 0.000 0.949 297 D HN 0.642 nan 8.370 nan 0.000 0.509 298 G N 0.372 109.243 108.800 0.119 0.000 2.162 298 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.260 298 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.260 298 G C 0.768 175.746 174.900 0.130 0.000 0.976 298 G CA 0.932 46.100 45.100 0.114 0.000 0.655 298 G HN 0.486 nan 8.290 nan 0.000 0.533 299 E N -1.160 119.135 120.200 0.158 0.000 2.907 299 E HA 0.473 4.823 4.350 -0.001 0.000 0.197 299 E C 1.744 178.389 176.600 0.075 0.000 1.150 299 E CA 0.268 56.739 56.400 0.118 0.000 1.134 299 E CB -0.646 29.142 29.700 0.148 0.000 2.214 299 E HN 0.168 nan 8.360 nan 0.000 0.541 300 F N 0.438 120.340 119.950 -0.080 0.000 2.063 300 F HA -0.045 4.482 4.527 -0.001 0.000 0.298 300 F C 0.319 175.860 175.800 -0.431 0.000 1.109 300 F CA 1.407 59.231 58.000 -0.293 0.000 1.212 300 F CB 0.025 38.766 39.000 -0.431 0.000 0.973 300 F HN -0.022 nan 8.300 nan 0.000 0.480 301 F N 0.698 120.822 119.950 0.291 0.000 2.361 301 F HA 0.323 4.849 4.527 -0.001 0.000 0.364 301 F C -1.659 174.189 175.800 0.081 0.000 1.120 301 F CA -2.616 55.477 58.000 0.155 0.000 1.102 301 F CB 0.468 39.549 39.000 0.135 0.000 1.183 301 F HN -0.204 nan 8.300 nan 0.000 0.476 302 P HA -0.041 nan 4.420 nan 0.000 0.217 302 P C 0.494 177.856 177.300 0.105 0.000 1.151 302 P CA 1.280 64.446 63.100 0.109 0.000 0.828 302 P CB 0.230 31.967 31.700 0.061 0.000 0.788 303 T N -5.337 109.287 114.554 0.116 0.000 2.591 303 T HA 0.463 4.813 4.350 -0.001 0.000 0.274 303 T C -0.184 174.559 174.700 0.073 0.000 0.945 303 T CA -0.613 61.533 62.100 0.076 0.000 1.087 303 T CB 0.567 69.466 68.868 0.051 0.000 1.416 303 T HN -0.040 nan 8.240 nan 0.000 0.514 304 S N 0.103 115.820 115.700 0.029 0.000 2.572 304 S HA 0.215 4.685 4.470 -0.001 0.000 0.279 304 S C 1.516 176.119 174.600 0.005 0.000 1.341 304 S CA -0.753 57.441 58.200 -0.010 0.000 1.043 304 S CB -0.354 62.834 63.200 -0.020 0.000 0.887 304 S HN 0.652 nan 8.310 nan 0.000 0.516 305 L N 0.810 121.998 121.223 -0.059 0.000 2.043 305 L HA -0.136 4.204 4.340 -0.001 0.000 0.212 305 L C 2.903 179.806 176.870 0.055 0.000 1.075 305 L CA 2.029 56.855 54.840 -0.022 0.000 0.752 305 L CB -0.748 41.236 42.059 -0.126 0.000 0.891 305 L HN 0.823 nan 8.230 nan 0.000 0.432 306 E N 0.574 120.799 120.200 0.041 0.000 2.072 306 E HA -0.174 4.176 4.350 -0.001 0.000 0.191 306 E C 2.225 178.885 176.600 0.099 0.000 0.985 306 E CA 1.627 58.082 56.400 0.093 0.000 0.801 306 E CB -0.065 29.677 29.700 0.069 0.000 0.750 306 E HN 0.479 nan 8.360 nan 0.000 0.452 307 S N -0.379 115.363 115.700 0.069 0.000 2.406 307 S HA -0.107 4.363 4.470 -0.001 0.000 0.228 307 S C 2.122 176.768 174.600 0.076 0.000 1.020 307 S CA 1.017 59.256 58.200 0.065 0.000 0.965 307 S CB -0.349 62.876 63.200 0.042 0.000 0.798 307 S HN 0.232 nan 8.310 nan 0.000 0.488 308 M N 1.134 120.793 119.600 0.100 0.000 2.080 308 M HA -0.014 4.465 4.480 -0.001 0.000 0.260 308 M C 2.233 178.663 176.300 0.217 0.000 1.068 308 M CA 1.541 56.924 55.300 0.139 0.000 1.109 308 M CB -0.736 31.977 32.600 0.188 0.000 1.342 308 M HN 0.309 nan 8.290 nan 0.000 0.405 309 L N -0.054 121.310 121.223 0.234 0.000 2.046 309 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 309 L C 2.192 179.221 176.870 0.265 0.000 1.077 309 L CA 0.952 55.965 54.840 0.287 0.000 0.747 309 L CB -0.799 41.353 42.059 0.155 0.000 0.896 309 L HN 0.376 nan 8.230 nan 0.000 0.432 310 N N -0.389 118.414 118.700 0.172 0.000 2.244 310 N HA -0.121 4.619 4.740 -0.001 0.000 0.183 310 N C 1.891 177.498 175.510 0.162 0.000 1.016 310 N CA 1.610 54.762 53.050 0.171 0.000 0.866 310 N CB -0.051 38.510 38.487 0.123 0.000 0.980 310 N HN 0.338 nan 8.380 nan 0.000 0.430 311 S N -1.120 114.597 115.700 0.027 0.000 2.556 311 S HA 0.264 4.734 4.470 -0.001 0.000 0.216 311 S C 1.272 175.577 174.600 -0.493 0.000 0.970 311 S CA 0.393 58.536 58.200 -0.094 0.000 0.912 311 S CB 0.241 63.397 63.200 -0.074 0.000 0.790 311 S HN 0.351 nan 8.310 nan 0.000 0.504 312 G N 2.046 110.311 108.800 -0.892 0.000 2.153 312 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.252 312 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.252 312 G C -0.002 174.087 174.900 -1.352 0.000 0.994 312 G CA 0.118 44.019 45.100 -1.999 0.000 0.698 312 G HN 0.637 nan 8.290 nan 0.000 0.521 313 N N 0.659 118.979 118.700 -0.633 0.000 2.671 313 N HA 0.499 5.238 4.740 -0.001 0.000 0.274 313 N C -0.147 175.299 175.510 -0.106 0.000 1.188 313 N CA 0.017 52.870 53.050 -0.328 0.000 1.065 313 N CB -0.917 37.505 38.487 -0.109 0.000 1.415 313 N HN 0.808 nan 8.380 nan 0.000 0.511 314 F N -0.926 118.960 119.950 -0.106 0.000 2.799 314 F HA 0.356 4.883 4.527 -0.000 0.000 0.316 314 F C -0.529 175.283 175.800 0.020 0.000 1.155 314 F CA -1.391 56.616 58.000 0.011 0.000 0.916 314 F CB 0.515 39.584 39.000 0.115 0.000 1.294 314 F HN -0.119 nan 8.300 nan 0.000 0.447 315 K N 1.750 122.409 120.400 0.432 0.000 2.472 315 K HA 0.154 4.473 4.320 -0.001 0.000 0.280 315 K C -0.943 175.910 176.600 0.421 0.000 1.028 315 K CA -0.064 56.391 56.287 0.280 0.000 1.045 315 K CB 0.446 33.064 32.500 0.196 0.000 0.902 315 K HN 0.652 nan 8.250 nan 0.000 0.478 316 K N 2.749 123.264 120.400 0.192 0.000 2.267 316 K HA 0.163 4.482 4.320 -0.001 0.000 0.282 316 K C -0.144 176.586 176.600 0.217 0.000 1.078 316 K CA -0.136 56.264 56.287 0.189 0.000 0.903 316 K CB 1.716 34.232 32.500 0.026 0.000 1.111 316 K HN 0.635 nan 8.250 nan 0.000 0.475 317 T N 1.336 116.112 114.554 0.370 0.000 2.630 317 T HA 0.294 4.644 4.350 -0.001 0.000 0.300 317 T C -1.411 173.498 174.700 0.348 0.000 1.261 317 T CA -0.708 61.558 62.100 0.276 0.000 1.060 317 T CB 0.615 69.612 68.868 0.215 0.000 1.670 317 T HN 0.384 nan 8.240 nan 0.000 0.473 318 Q N 1.008 120.971 119.800 0.271 0.000 2.222 318 Q HA 0.759 5.099 4.340 -0.001 0.000 0.252 318 Q C -0.347 175.902 176.000 0.416 0.000 0.926 318 Q CA -0.464 55.547 55.803 0.347 0.000 0.899 318 Q CB 1.367 30.298 28.738 0.322 0.000 1.250 318 Q HN 0.664 nan 8.270 nan 0.000 0.441 319 I N -1.364 119.401 120.570 0.325 0.000 2.865 319 I HA 0.698 4.868 4.170 -0.001 0.000 0.302 319 I C -1.576 174.454 176.117 -0.145 0.000 1.140 319 I CA -1.385 59.990 61.300 0.124 0.000 1.021 319 I CB 1.893 39.798 38.000 -0.158 0.000 1.233 319 I HN 0.560 nan 8.210 nan 0.000 0.427 320 L N 6.722 127.640 121.223 -0.508 0.000 2.385 320 L HA 0.835 5.174 4.340 -0.001 0.000 0.273 320 L C -1.383 175.289 176.870 -0.331 0.000 0.990 320 L CA -0.540 53.903 54.840 -0.661 0.000 0.821 320 L CB 1.815 42.952 42.059 -1.538 0.000 1.279 320 L HN 0.884 nan 8.230 nan 0.000 0.412 321 L N 2.278 123.435 121.223 -0.110 0.000 2.892 321 L HA 1.080 5.420 4.340 -0.001 0.000 0.269 321 L C -0.874 175.798 176.870 -0.330 0.000 1.058 321 L CA -0.427 54.377 54.840 -0.060 0.000 0.923 321 L CB 1.675 43.682 42.059 -0.086 0.000 1.518 321 L HN 0.726 nan 8.230 nan 0.000 0.402 322 G N -0.263 108.154 108.800 -0.638 0.000 2.349 322 G HA2 0.585 4.545 3.960 -0.001 0.000 0.294 322 G HA3 0.585 4.545 3.960 -0.001 0.000 0.294 322 G C -1.616 172.897 174.900 -0.645 0.000 1.380 322 G CA 0.003 44.312 45.100 -1.318 0.000 0.811 322 G HN 1.598 nan 8.290 nan 0.000 0.519 323 V N -2.375 117.329 119.914 -0.351 0.000 3.130 323 V HA 0.844 4.964 4.120 -0.001 0.000 0.310 323 V C -0.887 175.280 176.094 0.123 0.000 1.158 323 V CA -1.475 60.845 62.300 0.034 0.000 1.029 323 V CB 1.896 33.754 31.823 0.057 0.000 1.057 323 V HN 0.726 nan 8.190 nan 0.000 0.436 324 N N 1.074 119.872 118.700 0.163 0.000 2.476 324 N HA 0.373 5.113 4.740 -0.001 0.000 0.275 324 N C 0.667 176.096 175.510 -0.135 0.000 1.190 324 N CA -0.242 52.880 53.050 0.119 0.000 0.977 324 N CB 1.495 40.168 38.487 0.310 0.000 1.200 324 N HN 0.984 nan 8.380 nan 0.000 0.515 325 K N -0.187 120.048 120.400 -0.276 0.000 2.148 325 K HA -0.043 4.276 4.320 -0.001 0.000 0.204 325 K C -0.590 176.081 176.600 0.117 0.000 1.050 325 K CA 1.341 57.531 56.287 -0.162 0.000 0.942 325 K CB 0.236 32.714 32.500 -0.036 0.000 0.724 325 K HN 0.425 nan 8.250 nan 0.000 0.446 326 D N 1.411 121.887 120.400 0.127 0.000 2.607 326 D HA 0.042 4.682 4.640 -0.001 0.000 0.318 326 D C -0.040 176.373 176.300 0.188 0.000 1.212 326 D CA -0.127 53.969 54.000 0.160 0.000 0.861 326 D CB 1.244 42.121 40.800 0.129 0.000 1.064 326 D HN 0.199 nan 8.370 nan 0.000 0.500 327 E N 0.379 120.705 120.200 0.210 0.000 2.204 327 E HA -0.114 4.236 4.350 -0.001 0.000 0.195 327 E C 1.917 178.676 176.600 0.264 0.000 0.990 327 E CA 0.637 57.191 56.400 0.257 0.000 0.821 327 E CB 0.213 30.045 29.700 0.219 0.000 0.750 327 E HN 0.426 nan 8.360 nan 0.000 0.477 328 G N 1.289 110.223 108.800 0.223 0.000 2.494 328 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.216 328 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.216 328 G C 1.752 176.812 174.900 0.268 0.000 1.140 328 G CA 0.811 46.068 45.100 0.261 0.000 0.801 328 G HN 0.360 nan 8.290 nan 0.000 0.536 329 S N 0.973 116.766 115.700 0.155 0.000 2.380 329 S HA -0.221 4.249 4.470 -0.001 0.000 0.229 329 S C 2.035 176.562 174.600 -0.122 0.000 1.043 329 S CA 1.310 59.533 58.200 0.038 0.000 1.038 329 S CB -0.709 62.433 63.200 -0.096 0.000 0.872 329 S HN 0.181 nan 8.310 nan 0.000 0.456 330 F N 1.698 121.481 119.950 -0.278 0.000 2.087 330 F HA -0.059 4.468 4.527 -0.001 0.000 0.299 330 F C 2.011 177.508 175.800 -0.507 0.000 1.100 330 F CA 1.624 59.282 58.000 -0.569 0.000 1.226 330 F CB -0.643 37.756 39.000 -1.002 0.000 0.983 330 F HN 0.173 nan 8.300 nan 0.000 0.479 331 F N -0.952 118.986 119.950 -0.020 0.000 2.367 331 F HA -0.047 4.480 4.527 -0.001 0.000 0.298 331 F C 2.054 177.824 175.800 -0.051 0.000 1.094 331 F CA 0.629 58.590 58.000 -0.065 0.000 1.409 331 F CB -0.926 37.985 39.000 -0.148 0.000 1.064 331 F HN -0.119 nan 8.300 nan 0.000 0.528 332 L N -0.845 120.366 121.223 -0.020 0.000 2.095 332 L HA -0.139 4.200 4.340 -0.001 0.000 0.204 332 L C 2.416 179.118 176.870 -0.279 0.000 1.080 332 L CA 0.440 55.049 54.840 -0.384 0.000 0.759 332 L CB -0.616 40.846 42.059 -0.995 0.000 0.914 332 L HN 0.133 nan 8.230 nan 0.000 0.439 333 L N -0.769 120.459 121.223 0.009 0.000 1.990 333 L HA -0.268 4.072 4.340 -0.001 0.000 0.213 333 L C 2.341 179.351 176.870 0.233 0.000 1.072 333 L CA 2.062 57.066 54.840 0.273 0.000 0.755 333 L CB -0.750 41.456 42.059 0.244 0.000 0.889 333 L HN 0.129 nan 8.230 nan 0.000 0.432 334 Y N -0.706 119.617 120.300 0.039 0.000 2.509 334 Y HA 0.122 4.672 4.550 -0.001 0.000 0.293 334 Y C 2.227 178.125 175.900 -0.003 0.000 1.133 334 Y CA 1.013 59.132 58.100 0.031 0.000 1.283 334 Y CB -0.226 38.222 38.460 -0.020 0.000 1.001 334 Y HN 0.336 nan 8.280 nan 0.000 0.555 335 G N -2.083 106.790 108.800 0.122 0.000 2.801 335 G HA2 0.371 4.331 3.960 -0.001 0.000 0.191 335 G HA3 0.371 4.331 3.960 -0.001 0.000 0.191 335 G C 0.026 174.969 174.900 0.072 0.000 1.223 335 G CA 0.305 45.446 45.100 0.068 0.000 0.904 335 G HN 0.274 nan 8.290 nan 0.000 0.789 336 A N 2.017 124.886 122.820 0.082 0.000 2.331 336 A HA 0.719 5.038 4.320 -0.001 0.000 0.283 336 A C -2.252 175.500 177.584 0.280 0.000 1.142 336 A CA -1.307 50.822 52.037 0.153 0.000 0.812 336 A CB 0.488 19.556 19.000 0.114 0.000 1.074 336 A HN 0.103 nan 8.150 nan 0.000 0.497 337 P HA 0.282 nan 4.420 nan 0.000 0.268 337 P C 0.832 178.192 177.300 0.099 0.000 1.204 337 P CA 1.328 64.503 63.100 0.125 0.000 0.768 337 P CB 1.113 32.851 31.700 0.065 0.000 0.842 338 G N 1.591 110.391 108.800 -0.001 0.000 2.278 338 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.210 338 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.210 338 G C -0.303 174.380 174.900 -0.361 0.000 1.000 338 G CA -0.542 44.431 45.100 -0.211 0.000 0.635 338 G HN 0.429 nan 8.290 nan 0.000 0.495 339 F N 2.288 122.174 119.950 -0.107 0.000 2.422 339 F HA 0.699 5.225 4.527 -0.001 0.000 0.333 339 F C 0.774 176.573 175.800 -0.001 0.000 1.095 339 F CA 0.180 58.085 58.000 -0.159 0.000 1.038 339 F CB 2.289 41.248 39.000 -0.069 0.000 1.156 339 F HN 0.381 nan 8.300 nan 0.000 0.483 340 S N 1.155 117.002 115.700 0.244 0.000 2.588 340 S HA 0.315 4.785 4.470 -0.001 0.000 0.269 340 S C 0.165 175.001 174.600 0.392 0.000 1.157 340 S CA -1.191 57.186 58.200 0.295 0.000 0.824 340 S CB 1.931 65.222 63.200 0.152 0.000 1.126 340 S HN 0.670 nan 8.310 nan 0.000 0.464 341 K N -0.139 120.416 120.400 0.258 0.000 2.147 341 K HA -0.065 4.255 4.320 -0.001 0.000 0.205 341 K C -0.143 176.511 176.600 0.090 0.000 1.049 341 K CA 1.710 58.052 56.287 0.091 0.000 0.936 341 K CB -0.157 32.112 32.500 -0.386 0.000 0.722 341 K HN 0.604 nan 8.250 nan 0.000 0.446 342 D N 0.177 120.624 120.400 0.077 0.000 2.462 342 D HA 0.037 4.676 4.640 -0.001 0.000 0.221 342 D C -0.322 176.022 176.300 0.074 0.000 1.173 342 D CA 0.072 54.093 54.000 0.036 0.000 0.831 342 D CB 0.895 41.681 40.800 -0.023 0.000 1.001 342 D HN 0.159 nan 8.370 nan 0.000 0.499 343 S N -1.121 114.654 115.700 0.125 0.000 2.634 343 S HA 0.343 4.812 4.470 -0.001 0.000 0.296 343 S C 0.799 175.439 174.600 0.067 0.000 1.104 343 S CA -0.728 57.503 58.200 0.052 0.000 0.920 343 S CB 2.450 65.634 63.200 -0.027 0.000 1.111 343 S HN -0.137 nan 8.310 nan 0.000 0.493 344 E N 0.893 121.091 120.200 -0.004 0.000 2.463 344 E HA -0.008 4.342 4.350 -0.001 0.000 0.201 344 E C -0.318 176.038 176.600 -0.406 0.000 1.045 344 E CA 0.578 56.957 56.400 -0.036 0.000 0.872 344 E CB -0.320 29.367 29.700 -0.021 0.000 0.797 344 E HN 0.719 nan 8.360 nan 0.000 0.538 345 S N 0.848 116.253 115.700 -0.491 0.000 3.628 345 S HA -0.177 4.292 4.470 -0.001 0.000 0.373 345 S C -0.300 173.892 174.600 -0.680 0.000 0.968 345 S CA 0.677 58.417 58.200 -0.766 0.000 1.215 345 S CB -1.040 61.278 63.200 -1.470 0.000 0.912 345 S HN 0.270 nan 8.310 nan 0.000 0.495 346 K N 0.822 120.975 120.400 -0.412 0.000 2.298 346 K HA 0.400 4.720 4.320 -0.001 0.000 0.280 346 K C 0.139 176.536 176.600 -0.337 0.000 1.032 346 K CA -0.329 55.771 56.287 -0.313 0.000 0.958 346 K CB 0.496 32.882 32.500 -0.190 0.000 0.978 346 K HN 0.156 nan 8.250 nan 0.000 0.472 347 I N 2.537 122.925 120.570 -0.302 0.000 2.378 347 I HA 0.084 4.254 4.170 -0.001 0.000 0.291 347 I C 0.610 176.644 176.117 -0.138 0.000 0.992 347 I CA -0.559 60.571 61.300 -0.283 0.000 1.154 347 I CB 1.299 39.119 38.000 -0.299 0.000 1.315 347 I HN 0.664 nan 8.210 nan 0.000 0.448 348 S N 5.723 121.360 115.700 -0.106 0.000 2.585 348 S HA 0.235 4.705 4.470 -0.001 0.000 0.273 348 S C 1.276 175.875 174.600 -0.003 0.000 1.339 348 S CA -0.402 57.763 58.200 -0.059 0.000 1.028 348 S CB 1.372 64.544 63.200 -0.047 0.000 0.906 348 S HN 0.571 nan 8.310 nan 0.000 0.528 349 R N 1.452 121.939 120.500 -0.021 0.000 2.165 349 R HA -0.199 4.141 4.340 -0.001 0.000 0.254 349 R C 1.848 178.211 176.300 0.104 0.000 1.153 349 R CA 2.464 58.574 56.100 0.016 0.000 0.971 349 R CB -1.049 29.250 30.300 -0.001 0.000 0.878 349 R HN 0.889 nan 8.270 nan 0.000 0.449 350 E N -0.238 120.001 120.200 0.065 0.000 2.028 350 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 350 E C 1.750 178.397 176.600 0.079 0.000 0.988 350 E CA 1.552 57.993 56.400 0.068 0.000 0.799 350 E CB -0.288 29.434 29.700 0.036 0.000 0.755 350 E HN 0.330 nan 8.360 nan 0.000 0.447 351 D N -0.312 120.123 120.400 0.059 0.000 2.178 351 D HA -0.147 4.493 4.640 -0.001 0.000 0.201 351 D C 1.615 177.980 176.300 0.108 0.000 0.980 351 D CA 0.572 54.604 54.000 0.053 0.000 0.842 351 D CB -0.268 40.523 40.800 -0.015 0.000 0.948 351 D HN 0.093 nan 8.370 nan 0.000 0.472 352 F N 0.840 120.783 119.950 -0.012 0.000 2.069 352 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 352 F C 2.392 178.211 175.800 0.032 0.000 1.113 352 F CA 1.348 59.356 58.000 0.013 0.000 1.214 352 F CB -0.255 38.734 39.000 -0.019 0.000 0.978 352 F HN -0.147 nan 8.300 nan 0.000 0.474 353 M N -0.175 119.553 119.600 0.214 0.000 2.108 353 M HA -0.231 4.249 4.480 -0.001 0.000 0.261 353 M C 2.133 178.428 176.300 -0.008 0.000 1.066 353 M CA 2.133 57.497 55.300 0.106 0.000 1.107 353 M CB -0.402 32.283 32.600 0.142 0.000 1.356 353 M HN 0.225 nan 8.290 nan 0.000 0.406 354 S N -0.497 115.210 115.700 0.011 0.000 2.481 354 S HA 0.031 4.500 4.470 -0.001 0.000 0.231 354 S C 1.942 176.523 174.600 -0.031 0.000 0.996 354 S CA 0.743 58.941 58.200 -0.004 0.000 0.942 354 S CB -0.870 62.343 63.200 0.022 0.000 0.768 354 S HN 0.602 nan 8.310 nan 0.000 0.520 355 G N 2.015 110.775 108.800 -0.066 0.000 2.402 355 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.216 355 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.216 355 G C 1.524 176.327 174.900 -0.161 0.000 1.162 355 G CA 0.847 45.899 45.100 -0.079 0.000 0.777 355 G HN 0.517 nan 8.290 nan 0.000 0.539 356 V N 0.827 120.576 119.914 -0.276 0.000 2.407 356 V HA -0.085 4.035 4.120 -0.001 0.000 0.248 356 V C 2.579 178.593 176.094 -0.134 0.000 1.055 356 V CA 2.917 65.075 62.300 -0.237 0.000 1.049 356 V CB -0.395 31.262 31.823 -0.277 0.000 0.662 356 V HN 0.387 nan 8.190 nan 0.000 0.455 357 K N -0.297 120.041 120.400 -0.102 0.000 2.097 357 K HA -0.078 4.241 4.320 -0.001 0.000 0.205 357 K C 1.872 178.427 176.600 -0.076 0.000 1.050 357 K CA 1.924 58.160 56.287 -0.085 0.000 0.938 357 K CB -0.478 31.991 32.500 -0.053 0.000 0.718 357 K HN 0.449 nan 8.250 nan 0.000 0.442 358 L N 0.782 121.976 121.223 -0.049 0.000 2.141 358 L HA 0.003 4.342 4.340 -0.001 0.000 0.209 358 L C 1.923 178.782 176.870 -0.019 0.000 1.094 358 L CA 1.559 56.389 54.840 -0.017 0.000 0.763 358 L CB -0.647 41.416 42.059 0.006 0.000 0.908 358 L HN 0.181 nan 8.230 nan 0.000 0.437 359 S N -1.690 113.978 115.700 -0.053 0.000 2.446 359 S HA 0.065 4.534 4.470 -0.001 0.000 0.225 359 S C 0.956 175.505 174.600 -0.085 0.000 1.016 359 S CA 0.276 58.446 58.200 -0.049 0.000 0.943 359 S CB 0.295 63.446 63.200 -0.081 0.000 0.786 359 S HN 0.156 nan 8.310 nan 0.000 0.508 360 V N 3.079 122.905 119.914 -0.147 0.000 2.454 360 V HA 0.220 4.340 4.120 -0.001 0.000 0.255 360 V C -1.908 173.984 176.094 -0.336 0.000 1.009 360 V CA -1.384 60.747 62.300 -0.282 0.000 1.149 360 V CB 0.690 32.330 31.823 -0.305 0.000 1.418 360 V HN 0.157 nan 8.190 nan 0.000 0.567 361 P HA -0.185 nan 4.420 nan 0.000 0.219 361 P C 1.037 177.937 177.300 -0.667 0.000 1.146 361 P CA 1.515 64.445 63.100 -0.282 0.000 0.808 361 P CB -0.008 31.662 31.700 -0.049 0.000 0.779 362 H N -1.361 117.395 119.070 -0.523 0.000 2.524 362 H HA 0.534 5.089 4.556 -0.001 0.000 0.280 362 H C 0.272 175.423 175.328 -0.295 0.000 1.018 362 H CA -0.394 55.341 56.048 -0.523 0.000 1.165 362 H CB -0.399 29.238 29.762 -0.208 0.000 1.411 362 H HN -0.039 nan 8.280 nan 0.000 0.569 363 A N 2.174 124.668 122.820 -0.543 0.000 2.306 363 A HA 0.318 4.638 4.320 -0.001 0.000 0.314 363 A C 0.276 177.727 177.584 -0.221 0.000 1.164 363 A CA -0.733 51.084 52.037 -0.368 0.000 0.822 363 A CB 0.733 19.517 19.000 -0.359 0.000 1.130 363 A HN 0.608 nan 8.150 nan 0.000 0.496 364 N N 0.957 119.570 118.700 -0.145 0.000 2.379 364 N HA 0.094 4.834 4.740 -0.001 0.000 0.260 364 N C 0.359 175.826 175.510 -0.072 0.000 1.254 364 N CA 0.135 53.129 53.050 -0.093 0.000 0.958 364 N CB -0.175 38.273 38.487 -0.065 0.000 1.208 364 N HN 0.374 nan 8.380 nan 0.000 0.532 365 D N -0.837 119.537 120.400 -0.043 0.000 2.133 365 D HA -0.164 4.476 4.640 -0.001 0.000 0.195 365 D C 1.872 178.168 176.300 -0.007 0.000 0.997 365 D CA 1.314 55.301 54.000 -0.021 0.000 0.840 365 D CB -0.299 40.496 40.800 -0.008 0.000 0.947 365 D HN 0.524 nan 8.370 nan 0.000 0.452 366 L N 0.821 122.039 121.223 -0.009 0.000 2.042 366 L HA 0.009 4.348 4.340 -0.001 0.000 0.210 366 L C 2.574 179.454 176.870 0.017 0.000 1.076 366 L CA 2.255 57.100 54.840 0.008 0.000 0.749 366 L CB -1.020 41.039 42.059 -0.001 0.000 0.893 366 L HN 0.194 nan 8.230 nan 0.000 0.432 367 G N -0.536 108.249 108.800 -0.025 0.000 2.421 367 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.216 367 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.216 367 G C 1.568 176.475 174.900 0.012 0.000 1.171 367 G CA 1.015 46.097 45.100 -0.030 0.000 0.775 367 G HN 0.440 nan 8.290 nan 0.000 0.543 368 L N 0.564 121.777 121.223 -0.017 0.000 2.043 368 L HA -0.136 4.203 4.340 -0.001 0.000 0.212 368 L C 2.507 179.421 176.870 0.074 0.000 1.075 368 L CA 1.392 56.238 54.840 0.011 0.000 0.752 368 L CB -0.510 41.541 42.059 -0.013 0.000 0.891 368 L HN 0.095 nan 8.230 nan 0.000 0.432 369 D N 0.141 120.589 120.400 0.080 0.000 2.123 369 D HA -0.157 4.483 4.640 -0.001 0.000 0.196 369 D C 2.222 178.610 176.300 0.145 0.000 0.992 369 D CA 1.579 55.648 54.000 0.115 0.000 0.833 369 D CB -0.023 40.831 40.800 0.090 0.000 0.954 369 D HN 0.349 nan 8.370 nan 0.000 0.455 370 A N 0.287 123.205 122.820 0.164 0.000 1.897 370 A HA -0.079 4.241 4.320 -0.001 0.000 0.215 370 A C 2.507 180.184 177.584 0.155 0.000 1.181 370 A CA 0.913 53.087 52.037 0.228 0.000 0.620 370 A CB -0.674 18.581 19.000 0.425 0.000 0.821 370 A HN 0.122 nan 8.150 nan 0.000 0.443 371 V N 0.088 120.118 119.914 0.193 0.000 2.287 371 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 371 V C 2.774 178.957 176.094 0.147 0.000 1.053 371 V CA 2.619 64.981 62.300 0.104 0.000 1.027 371 V CB -1.362 30.537 31.823 0.127 0.000 0.646 371 V HN 0.614 nan 8.190 nan 0.000 0.447 372 T N 0.537 115.205 114.554 0.189 0.000 2.684 372 T HA -0.225 4.124 4.350 -0.001 0.000 0.267 372 T C 1.903 176.754 174.700 0.251 0.000 1.036 372 T CA 1.994 64.271 62.100 0.294 0.000 1.148 372 T CB -0.417 68.641 68.868 0.317 0.000 0.863 372 T HN 0.375 nan 8.240 nan 0.000 0.436 373 L N 1.079 122.437 121.223 0.226 0.000 2.079 373 L HA -0.084 4.256 4.340 -0.001 0.000 0.210 373 L C 2.407 179.316 176.870 0.066 0.000 1.081 373 L CA 1.781 56.775 54.840 0.257 0.000 0.752 373 L CB -0.557 41.603 42.059 0.168 0.000 0.896 373 L HN 0.104 nan 8.230 nan 0.000 0.433 374 Q N -1.751 117.987 119.800 -0.103 0.000 2.369 374 Q HA -0.128 4.211 4.340 -0.001 0.000 0.206 374 Q C 0.946 176.695 176.000 -0.418 0.000 0.963 374 Q CA 1.598 57.173 55.803 -0.379 0.000 0.894 374 Q CB -0.054 28.168 28.738 -0.860 0.000 0.965 374 Q HN 0.727 nan 8.270 nan 0.000 0.475 375 Y N -1.932 118.312 120.300 -0.094 0.000 2.527 375 Y HA 0.316 4.865 4.550 -0.001 0.000 0.247 375 Y C -0.152 175.696 175.900 -0.088 0.000 1.138 375 Y CA -0.205 57.887 58.100 -0.014 0.000 1.228 375 Y CB 1.217 39.757 38.460 0.134 0.000 1.252 375 Y HN -0.206 nan 8.280 nan 0.000 0.531 376 T N 1.321 115.783 114.554 -0.153 0.000 2.744 376 T HA 0.048 4.397 4.350 -0.001 0.000 0.291 376 T C -0.647 173.719 174.700 -0.556 0.000 0.957 376 T CA -0.549 61.231 62.100 -0.533 0.000 1.002 376 T CB 0.545 68.801 68.868 -1.019 0.000 0.919 376 T HN 0.004 nan 8.240 nan 0.000 0.468 377 D N 2.465 122.610 120.400 -0.426 0.000 2.367 377 D HA 0.032 4.671 4.640 -0.001 0.000 0.255 377 D C 0.187 176.280 176.300 -0.345 0.000 1.300 377 D CA -0.493 53.337 54.000 -0.283 0.000 0.959 377 D CB 0.287 40.981 40.800 -0.177 0.000 1.064 377 D HN 0.625 nan 8.370 nan 0.000 0.509 378 W N 3.075 124.335 121.300 -0.067 0.000 2.721 378 W HA -0.042 4.618 4.660 -0.001 0.000 0.245 378 W C 1.920 178.408 176.519 -0.052 0.000 1.276 378 W CA -0.076 57.232 57.345 -0.061 0.000 1.342 378 W CB -0.138 29.291 29.460 -0.053 0.000 1.135 378 W HN 0.491 nan 8.180 nan 0.000 0.654 379 M N -0.308 119.355 119.600 0.104 0.000 2.738 379 M HA 0.313 4.792 4.480 -0.001 0.000 0.295 379 M C -0.622 175.688 176.300 0.017 0.000 1.266 379 M CA 0.800 56.143 55.300 0.071 0.000 0.985 379 M CB 0.330 32.960 32.600 0.050 0.000 1.365 379 M HN -0.173 nan 8.290 nan 0.000 0.492 380 D N 1.033 121.424 120.400 -0.016 0.000 4.639 380 D HA -0.075 4.565 4.640 -0.001 0.000 0.187 380 D C 0.187 176.407 176.300 -0.133 0.000 1.274 380 D CA 0.276 54.240 54.000 -0.060 0.000 0.837 380 D CB -0.090 40.673 40.800 -0.062 0.000 1.427 380 D HN 0.588 nan 8.370 nan 0.000 0.875 381 D N -0.933 119.385 120.400 -0.136 0.000 2.371 381 D HA -0.082 4.558 4.640 -0.001 0.000 0.221 381 D C 0.561 176.734 176.300 -0.212 0.000 0.986 381 D CA 0.247 54.082 54.000 -0.275 0.000 0.899 381 D CB 0.132 40.768 40.800 -0.273 0.000 0.902 381 D HN 0.100 nan 8.370 nan 0.000 0.530 382 N N 0.489 119.115 118.700 -0.123 0.000 2.238 382 N HA 0.007 4.747 4.740 -0.001 0.000 0.222 382 N C -0.528 174.920 175.510 -0.103 0.000 1.133 382 N CA -0.179 52.809 53.050 -0.103 0.000 0.854 382 N CB -0.001 38.452 38.487 -0.056 0.000 1.041 382 N HN 0.369 nan 8.380 nan 0.000 0.510 383 N N -0.230 118.397 118.700 -0.121 0.000 2.402 383 N HA 0.094 4.834 4.740 -0.001 0.000 0.252 383 N C 1.466 176.906 175.510 -0.117 0.000 1.118 383 N CA -0.264 52.724 53.050 -0.103 0.000 0.945 383 N CB 0.706 39.136 38.487 -0.094 0.000 1.147 383 N HN 0.052 nan 8.380 nan 0.000 0.495 384 G N 4.232 112.969 108.800 -0.105 0.000 2.450 384 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.220 384 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.220 384 G C 1.343 176.180 174.900 -0.105 0.000 1.130 384 G CA 0.537 45.566 45.100 -0.119 0.000 0.760 384 G HN 0.619 nan 8.290 nan 0.000 0.557 385 I N 0.692 121.220 120.570 -0.070 0.000 2.252 385 I HA -0.083 4.087 4.170 -0.001 0.000 0.245 385 I C 2.569 178.683 176.117 -0.005 0.000 1.102 385 I CA 1.194 62.477 61.300 -0.029 0.000 1.385 385 I CB -0.966 37.029 38.000 -0.007 0.000 1.064 385 I HN 0.204 nan 8.210 nan 0.000 0.414 386 K N 0.741 121.120 120.400 -0.035 0.000 2.057 386 K HA -0.153 4.167 4.320 -0.001 0.000 0.206 386 K C 1.914 178.492 176.600 -0.036 0.000 1.050 386 K CA 1.286 57.551 56.287 -0.036 0.000 0.935 386 K CB -0.105 32.342 32.500 -0.088 0.000 0.715 386 K HN 0.275 nan 8.250 nan 0.000 0.439 387 N N 0.792 119.433 118.700 -0.098 0.000 2.084 387 N HA -0.177 4.562 4.740 -0.001 0.000 0.190 387 N C 1.684 177.318 175.510 0.207 0.000 1.030 387 N CA 1.073 54.087 53.050 -0.059 0.000 0.849 387 N CB -0.235 38.184 38.487 -0.115 0.000 1.012 387 N HN 0.176 nan 8.380 nan 0.000 0.423 388 R N 0.876 121.428 120.500 0.087 0.000 2.070 388 R HA -0.106 4.234 4.340 -0.001 0.000 0.233 388 R C 0.777 177.239 176.300 0.269 0.000 1.137 388 R CA 1.627 57.805 56.100 0.131 0.000 0.945 388 R CB -0.105 30.162 30.300 -0.054 0.000 0.845 388 R HN 0.130 nan 8.270 nan 0.000 0.430 389 D N -0.699 119.825 120.400 0.207 0.000 2.178 389 D HA -0.086 4.554 4.640 -0.001 0.000 0.201 389 D C 1.667 178.122 176.300 0.258 0.000 0.980 389 D CA 1.413 55.553 54.000 0.233 0.000 0.842 389 D CB -0.414 40.495 40.800 0.180 0.000 0.948 389 D HN 0.524 nan 8.370 nan 0.000 0.472 390 G N 0.301 109.269 108.800 0.280 0.000 2.421 390 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.217 390 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.217 390 G C 1.500 176.585 174.900 0.309 0.000 1.143 390 G CA 0.054 45.371 45.100 0.362 0.000 0.784 390 G HN 0.163 nan 8.290 nan 0.000 0.541 391 L N 0.957 122.376 121.223 0.327 0.000 2.109 391 L HA 0.065 4.404 4.340 -0.001 0.000 0.207 391 L C 2.220 179.159 176.870 0.115 0.000 1.086 391 L CA 1.479 56.409 54.840 0.150 0.000 0.760 391 L CB -0.475 41.729 42.059 0.242 0.000 0.910 391 L HN 0.158 nan 8.230 nan 0.000 0.437 392 D N -0.415 120.111 120.400 0.209 0.000 2.097 392 D HA -0.212 4.427 4.640 -0.001 0.000 0.195 392 D C 1.527 177.915 176.300 0.147 0.000 0.989 392 D CA 1.286 55.402 54.000 0.193 0.000 0.827 392 D CB 0.157 41.121 40.800 0.273 0.000 0.966 392 D HN 0.283 nan 8.370 nan 0.000 0.456 393 D N 0.074 120.582 120.400 0.179 0.000 2.178 393 D HA -0.102 4.538 4.640 -0.001 0.000 0.201 393 D C 2.278 178.610 176.300 0.054 0.000 0.980 393 D CA 0.344 54.466 54.000 0.203 0.000 0.842 393 D CB -0.190 40.832 40.800 0.370 0.000 0.948 393 D HN 0.384 nan 8.370 nan 0.000 0.472 394 I N 0.243 120.714 120.570 -0.165 0.000 2.226 394 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 394 I C 2.332 178.336 176.117 -0.188 0.000 1.100 394 I CA 0.592 61.695 61.300 -0.327 0.000 1.374 394 I CB -0.011 37.770 38.000 -0.365 0.000 1.057 394 I HN -0.104 nan 8.210 nan 0.000 0.413 395 V N 0.739 120.595 119.914 -0.098 0.000 2.307 395 V HA -0.185 3.935 4.120 -0.001 0.000 0.245 395 V C 2.533 178.547 176.094 -0.134 0.000 1.045 395 V CA 2.153 64.403 62.300 -0.083 0.000 1.024 395 V CB -1.340 30.497 31.823 0.023 0.000 0.651 395 V HN 0.559 nan 8.190 nan 0.000 0.449 396 G N -0.491 108.287 108.800 -0.036 0.000 2.402 396 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.216 396 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.216 396 G C 1.229 176.081 174.900 -0.080 0.000 1.162 396 G CA 0.883 45.976 45.100 -0.013 0.000 0.777 396 G HN 0.486 nan 8.290 nan 0.000 0.539 397 D N -0.063 120.293 120.400 -0.074 0.000 2.084 397 D HA -0.098 4.542 4.640 -0.001 0.000 0.194 397 D C 2.094 178.108 176.300 -0.476 0.000 0.990 397 D CA 1.364 55.295 54.000 -0.115 0.000 0.826 397 D CB -0.493 40.391 40.800 0.140 0.000 0.971 397 D HN 0.434 nan 8.370 nan 0.000 0.453 398 H N 0.604 119.094 119.070 -0.967 0.000 2.389 398 H HA 0.051 4.606 4.556 -0.001 0.000 0.299 398 H C 1.455 176.384 175.328 -0.666 0.000 1.081 398 H CA 1.594 56.888 56.048 -1.257 0.000 1.345 398 H CB 0.103 28.905 29.762 -1.600 0.000 1.393 398 H HN -0.016 nan 8.280 nan 0.000 0.520 399 N N -0.820 117.438 118.700 -0.736 0.000 2.388 399 N HA 0.022 4.761 4.740 -0.001 0.000 0.176 399 N C 0.922 176.148 175.510 -0.473 0.000 1.062 399 N CA 0.953 53.504 53.050 -0.832 0.000 0.895 399 N CB 1.261 38.919 38.487 -1.382 0.000 1.018 399 N HN 0.274 nan 8.380 nan 0.000 0.456 400 V N 0.095 119.828 119.914 -0.302 0.000 3.279 400 V HA 0.169 4.289 4.120 -0.001 0.000 0.213 400 V C 1.939 177.998 176.094 -0.058 0.000 1.335 400 V CA -0.028 62.222 62.300 -0.084 0.000 1.317 400 V CB 0.299 32.142 31.823 0.034 0.000 1.209 400 V HN -0.072 nan 8.190 nan 0.000 0.525 401 I N 0.536 121.084 120.570 -0.037 0.000 2.163 401 I HA -0.227 3.942 4.170 -0.001 0.000 0.240 401 I C 2.511 178.635 176.117 0.012 0.000 1.081 401 I CA 1.755 63.065 61.300 0.016 0.000 1.353 401 I CB -0.415 37.634 38.000 0.081 0.000 1.054 401 I HN 0.371 nan 8.210 nan 0.000 0.407 402 c N 0.851 119.448 118.600 -0.005 0.000 2.440 402 c HA -0.031 4.538 4.570 -0.001 0.000 0.278 402 c C 0.152 174.262 174.090 0.032 0.000 1.295 402 c CA 0.584 56.951 56.329 0.062 0.000 1.738 402 c CB -1.943 40.651 42.510 0.141 0.000 1.987 402 c HN 0.373 nan 8.230 nan 0.000 0.492 403 P HA -0.078 nan 4.420 nan 0.000 0.219 403 P C 1.714 179.031 177.300 0.029 0.000 1.150 403 P CA 1.051 64.115 63.100 -0.059 0.000 0.814 403 P CB -0.212 31.358 31.700 -0.216 0.000 0.787 404 L N -1.805 119.419 121.223 0.002 0.000 2.072 404 L HA -0.098 4.241 4.340 -0.001 0.000 0.205 404 L C 2.132 179.048 176.870 0.077 0.000 1.079 404 L CA 1.518 56.375 54.840 0.028 0.000 0.752 404 L CB -0.576 41.470 42.059 -0.022 0.000 0.906 404 L HN -0.150 nan 8.230 nan 0.000 0.436 405 M N -0.738 118.894 119.600 0.053 0.000 2.149 405 M HA -0.266 4.214 4.480 -0.001 0.000 0.261 405 M C 2.282 178.654 176.300 0.121 0.000 1.064 405 M CA 1.763 57.099 55.300 0.059 0.000 1.102 405 M CB -1.688 30.963 32.600 0.085 0.000 1.369 405 M HN 0.447 nan 8.290 nan 0.000 0.408 406 H N -0.034 119.075 119.070 0.065 0.000 2.321 406 H HA -0.189 4.366 4.556 -0.001 0.000 0.300 406 H C 1.835 177.210 175.328 0.078 0.000 1.087 406 H CA 2.200 58.293 56.048 0.075 0.000 1.319 406 H CB -0.410 29.391 29.762 0.066 0.000 1.379 406 H HN 0.285 nan 8.280 nan 0.000 0.501 407 F N 0.007 119.935 119.950 -0.036 0.000 2.134 407 F HA -0.153 4.373 4.527 -0.001 0.000 0.299 407 F C 2.458 178.193 175.800 -0.109 0.000 1.097 407 F CA 1.480 59.414 58.000 -0.109 0.000 1.264 407 F CB -0.778 38.158 39.000 -0.107 0.000 1.001 407 F HN 0.143 nan 8.300 nan 0.000 0.479 408 V N 1.018 120.849 119.914 -0.139 0.000 2.453 408 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 408 V C 2.165 178.145 176.094 -0.189 0.000 1.048 408 V CA 2.396 64.523 62.300 -0.288 0.000 1.049 408 V CB -0.690 30.893 31.823 -0.400 0.000 0.672 408 V HN 0.436 nan 8.190 nan 0.000 0.457 409 N N 0.571 119.221 118.700 -0.083 0.000 2.084 409 N HA -0.142 4.598 4.740 -0.001 0.000 0.190 409 N C 1.785 177.271 175.510 -0.040 0.000 1.030 409 N CA 1.688 54.761 53.050 0.040 0.000 0.849 409 N CB -0.304 38.235 38.487 0.088 0.000 1.012 409 N HN 0.463 nan 8.380 nan 0.000 0.423 410 K N 0.372 120.667 120.400 -0.175 0.000 2.148 410 K HA -0.120 4.200 4.320 -0.001 0.000 0.204 410 K C 1.935 178.523 176.600 -0.020 0.000 1.050 410 K CA 0.575 56.802 56.287 -0.101 0.000 0.942 410 K CB -0.710 31.688 32.500 -0.171 0.000 0.724 410 K HN 0.338 nan 8.250 nan 0.000 0.446 411 Y N 2.459 122.525 120.300 -0.389 0.000 2.163 411 Y HA -0.207 4.343 4.550 -0.001 0.000 0.288 411 Y C 2.260 178.162 175.900 0.003 0.000 1.136 411 Y CA 1.865 59.725 58.100 -0.399 0.000 1.147 411 Y CB -0.395 37.566 38.460 -0.832 0.000 0.987 411 Y HN 0.012 nan 8.280 nan 0.000 0.509 412 T N -0.494 114.116 114.554 0.092 0.000 2.759 412 T HA -0.272 4.078 4.350 -0.001 0.000 0.269 412 T C 2.032 176.735 174.700 0.006 0.000 1.042 412 T CA 1.777 63.949 62.100 0.120 0.000 1.140 412 T CB -0.418 68.610 68.868 0.266 0.000 0.864 412 T HN 0.200 nan 8.240 nan 0.000 0.455 413 K N 0.535 120.910 120.400 -0.043 0.000 2.113 413 K HA -0.091 4.229 4.320 -0.001 0.000 0.208 413 K C 1.484 177.833 176.600 -0.418 0.000 1.047 413 K CA 1.354 57.487 56.287 -0.256 0.000 0.928 413 K CB -0.720 31.573 32.500 -0.345 0.000 0.716 413 K HN 0.703 nan 8.250 nan 0.000 0.446 414 F N -0.982 118.903 119.950 -0.109 0.000 2.706 414 F HA 0.411 4.938 4.527 -0.001 0.000 0.313 414 F C 1.457 177.127 175.800 -0.216 0.000 1.096 414 F CA -0.255 57.641 58.000 -0.173 0.000 1.219 414 F CB 0.374 39.205 39.000 -0.282 0.000 1.051 414 F HN 0.261 nan 8.300 nan 0.000 0.568 415 G N -0.062 108.664 108.800 -0.123 0.000 2.563 415 G HA2 0.029 3.989 3.960 -0.001 0.000 0.283 415 G HA3 0.029 3.989 3.960 -0.001 0.000 0.283 415 G C 0.258 175.198 174.900 0.067 0.000 1.309 415 G CA -0.423 44.590 45.100 -0.146 0.000 1.022 415 G HN 0.230 nan 8.290 nan 0.000 0.501 416 N N -0.635 118.166 118.700 0.169 0.000 2.214 416 N HA 0.272 5.012 4.740 -0.001 0.000 0.214 416 N C 0.328 175.922 175.510 0.140 0.000 1.132 416 N CA 0.500 53.627 53.050 0.128 0.000 0.856 416 N CB 0.414 38.968 38.487 0.111 0.000 1.020 416 N HN 0.847 nan 8.380 nan 0.000 0.509 417 G N 0.177 109.080 108.800 0.172 0.000 2.249 417 G HA2 0.037 3.997 3.960 -0.001 0.000 0.252 417 G HA3 0.037 3.997 3.960 -0.001 0.000 0.252 417 G C -1.364 173.594 174.900 0.096 0.000 1.697 417 G CA -0.742 44.412 45.100 0.091 0.000 0.916 417 G HN 0.007 nan 8.290 nan 0.000 0.725 418 T N 1.241 115.730 114.554 -0.108 0.000 2.886 418 T HA 0.713 5.062 4.350 -0.001 0.000 0.292 418 T C -1.374 173.113 174.700 -0.356 0.000 1.012 418 T CA -0.366 61.688 62.100 -0.075 0.000 0.982 418 T CB 1.406 70.304 68.868 0.050 0.000 1.018 418 T HN 0.458 nan 8.240 nan 0.000 0.451 419 Y N 1.769 121.983 120.300 -0.144 0.000 2.373 419 Y HA 0.677 5.227 4.550 -0.001 0.000 0.336 419 Y C -0.652 175.300 175.900 0.087 0.000 0.979 419 Y CA -1.180 56.802 58.100 -0.197 0.000 1.080 419 Y CB 1.657 39.555 38.460 -0.936 0.000 1.190 419 Y HN 0.430 nan 8.280 nan 0.000 0.446 420 L N 5.874 127.498 121.223 0.667 0.000 2.333 420 L HA 0.612 4.951 4.340 -0.001 0.000 0.280 420 L C -1.360 175.931 176.870 0.701 0.000 1.004 420 L CA -1.057 54.073 54.840 0.484 0.000 0.820 420 L CB 0.631 42.815 42.059 0.209 0.000 1.247 420 L HN 0.529 nan 8.230 nan 0.000 0.416 421 Y N 3.387 123.984 120.300 0.495 0.000 2.562 421 Y HA 0.741 5.291 4.550 -0.001 0.000 0.343 421 Y C -1.661 174.494 175.900 0.426 0.000 1.025 421 Y CA -2.001 56.334 58.100 0.392 0.000 1.082 421 Y CB 1.336 39.985 38.460 0.315 0.000 1.264 421 Y HN 0.549 nan 8.280 nan 0.000 0.478 422 F N 4.557 124.819 119.950 0.519 0.000 2.500 422 F HA 0.462 4.989 4.527 -0.001 0.000 0.349 422 F C -1.810 174.295 175.800 0.508 0.000 1.127 422 F CA -1.758 56.479 58.000 0.396 0.000 0.998 422 F CB 0.686 39.898 39.000 0.354 0.000 1.237 422 F HN 0.581 nan 8.300 nan 0.000 0.439 423 F N 8.252 128.287 119.950 0.143 0.000 2.421 423 F HA 0.323 4.849 4.527 -0.001 0.000 0.358 423 F C -0.012 175.691 175.800 -0.163 0.000 1.115 423 F CA -0.294 57.748 58.000 0.071 0.000 1.160 423 F CB 0.563 39.663 39.000 0.167 0.000 1.123 423 F HN 0.554 nan 8.300 nan 0.000 0.508 424 N N 3.425 121.721 118.700 -0.674 0.000 2.547 424 N HA 0.085 4.825 4.740 -0.001 0.000 0.285 424 N C -1.362 173.916 175.510 -0.386 0.000 1.600 424 N CA -0.533 52.259 53.050 -0.430 0.000 0.872 424 N CB -0.752 37.678 38.487 -0.094 0.000 1.412 424 N HN 0.647 nan 8.380 nan 0.000 0.489 425 H N 0.602 119.160 119.070 -0.853 0.000 2.488 425 H HA 0.432 4.988 4.556 -0.001 0.000 0.322 425 H C -0.369 174.847 175.328 -0.186 0.000 1.078 425 H CA -0.530 55.245 56.048 -0.455 0.000 1.260 425 H CB 1.034 30.484 29.762 -0.521 0.000 1.425 425 H HN 0.111 nan 8.280 nan 0.000 0.471 426 R N 4.032 124.225 120.500 -0.512 0.000 2.267 426 R HA 0.444 4.784 4.340 -0.001 0.000 0.319 426 R C -0.459 175.623 176.300 -0.363 0.000 1.067 426 R CA -0.469 55.471 56.100 -0.267 0.000 0.936 426 R CB 0.250 30.456 30.300 -0.156 0.000 1.006 426 R HN 0.824 nan 8.270 nan 0.000 0.452 427 A N 2.892 125.790 122.820 0.129 0.000 2.531 427 A HA -0.014 4.305 4.320 -0.001 0.000 0.236 427 A C 1.260 178.942 177.584 0.164 0.000 1.062 427 A CA 0.520 52.778 52.037 0.367 0.000 0.760 427 A CB 0.335 19.693 19.000 0.597 0.000 0.995 427 A HN 0.989 nan 8.150 nan 0.000 0.501 428 S N 1.115 116.941 115.700 0.209 0.000 2.489 428 S HA -0.120 4.350 4.470 -0.001 0.000 0.228 428 S C 0.805 175.413 174.600 0.013 0.000 0.995 428 S CA 0.899 59.156 58.200 0.095 0.000 0.934 428 S CB -0.392 62.886 63.200 0.129 0.000 0.771 428 S HN 0.897 nan 8.310 nan 0.000 0.522 429 N N 0.880 119.555 118.700 -0.042 0.000 2.238 429 N HA 0.223 4.962 4.740 -0.001 0.000 0.222 429 N C -0.074 175.398 175.510 -0.063 0.000 1.133 429 N CA -0.369 52.604 53.050 -0.129 0.000 0.854 429 N CB -0.331 37.952 38.487 -0.341 0.000 1.041 429 N HN 0.343 nan 8.380 nan 0.000 0.510 430 L N 1.652 122.887 121.223 0.020 0.000 2.453 430 L HA 0.056 4.395 4.340 -0.001 0.000 0.272 430 L C 1.322 178.192 176.870 0.001 0.000 1.182 430 L CA -0.005 54.874 54.840 0.065 0.000 0.858 430 L CB 1.253 43.363 42.059 0.085 0.000 1.120 430 L HN 0.145 nan 8.230 nan 0.000 0.474 431 V N 0.311 120.193 119.914 -0.052 0.000 3.608 431 V HA 0.065 4.184 4.120 -0.001 0.000 0.269 431 V C 0.423 176.461 176.094 -0.093 0.000 1.245 431 V CA -0.497 61.730 62.300 -0.122 0.000 1.138 431 V CB -0.745 30.910 31.823 -0.280 0.000 0.841 431 V HN 0.613 nan 8.190 nan 0.000 0.451 432 W N 1.945 123.238 121.300 -0.011 0.000 2.237 432 W HA 0.552 5.212 4.660 -0.001 0.000 0.335 432 W C -1.815 174.560 176.519 -0.239 0.000 1.230 432 W CA -2.293 54.967 57.345 -0.141 0.000 1.253 432 W CB -0.064 29.205 29.460 -0.318 0.000 1.129 432 W HN -0.020 nan 8.180 nan 0.000 0.590 433 P HA -0.057 nan 4.420 nan 0.000 0.269 433 P C 0.412 177.595 177.300 -0.195 0.000 1.215 433 P CA 0.214 63.236 63.100 -0.131 0.000 0.780 433 P CB 1.064 32.685 31.700 -0.132 0.000 0.898 434 E N 1.976 122.146 120.200 -0.051 0.000 2.108 434 E HA -0.208 4.141 4.350 -0.001 0.000 0.203 434 E C 1.671 178.282 176.600 0.018 0.000 1.022 434 E CA 2.121 58.520 56.400 -0.000 0.000 0.823 434 E CB -0.657 29.084 29.700 0.068 0.000 0.744 434 E HN 0.681 nan 8.360 nan 0.000 0.456 435 W N -0.748 120.571 121.300 0.032 0.000 2.525 435 W HA -0.087 4.572 4.660 -0.001 0.000 0.259 435 W C 1.307 177.855 176.519 0.048 0.000 1.253 435 W CA 0.461 57.835 57.345 0.048 0.000 1.262 435 W CB -0.713 28.784 29.460 0.062 0.000 1.122 435 W HN 0.079 nan 8.180 nan 0.000 0.607 436 M N 1.317 120.543 119.600 -0.625 0.000 2.476 436 M HA 0.124 4.604 4.480 -0.001 0.000 0.262 436 M C 1.597 177.756 176.300 -0.235 0.000 1.079 436 M CA 1.760 56.637 55.300 -0.705 0.000 1.104 436 M CB -0.592 31.370 32.600 -1.063 0.000 1.409 436 M HN 0.180 nan 8.290 nan 0.000 0.467 437 G N 0.177 108.909 108.800 -0.114 0.000 2.512 437 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.254 437 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.254 437 G C -0.433 174.457 174.900 -0.017 0.000 1.199 437 G CA -0.505 44.588 45.100 -0.011 0.000 0.941 437 G HN 0.140 nan 8.290 nan 0.000 0.569 438 V N 1.594 121.532 119.914 0.041 0.000 2.339 438 V HA 0.462 4.581 4.120 -0.001 0.000 0.261 438 V C 1.044 177.232 176.094 0.155 0.000 1.058 438 V CA -0.117 62.244 62.300 0.102 0.000 0.897 438 V CB 0.509 32.386 31.823 0.089 0.000 1.052 438 V HN 0.561 nan 8.190 nan 0.000 0.480 439 I N 3.250 123.907 120.570 0.146 0.000 2.532 439 I HA 0.247 4.417 4.170 -0.001 0.000 0.292 439 I C 0.808 177.134 176.117 0.349 0.000 1.014 439 I CA -0.734 60.656 61.300 0.150 0.000 1.340 439 I CB 0.751 38.725 38.000 -0.044 0.000 1.422 439 I HN 0.606 nan 8.210 nan 0.000 0.528 440 H N 4.032 123.250 119.070 0.247 0.000 3.173 440 H HA 0.015 4.571 4.556 -0.001 0.000 0.311 440 H C 1.020 176.455 175.328 0.177 0.000 0.972 440 H CA 1.211 57.379 56.048 0.199 0.000 1.384 440 H CB 0.182 30.047 29.762 0.172 0.000 1.349 440 H HN 0.759 nan 8.280 nan 0.000 0.582 441 G N 3.411 112.139 108.800 -0.120 0.000 2.217 441 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.246 441 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.246 441 G C 0.621 175.578 174.900 0.096 0.000 0.990 441 G CA 0.422 45.415 45.100 -0.178 0.000 0.627 441 G HN 0.626 nan 8.290 nan 0.000 0.522 442 Y N 1.544 121.932 120.300 0.146 0.000 2.493 442 Y HA 0.250 4.800 4.550 -0.001 0.000 0.275 442 Y C 2.283 178.265 175.900 0.136 0.000 1.183 442 Y CA 0.772 59.028 58.100 0.260 0.000 1.258 442 Y CB 0.422 39.099 38.460 0.362 0.000 1.108 442 Y HN 0.497 nan 8.280 nan 0.000 0.521 443 E N 0.088 120.224 120.200 -0.107 0.000 2.385 443 E HA -0.069 4.281 4.350 -0.001 0.000 0.194 443 E C 1.686 178.210 176.600 -0.127 0.000 1.013 443 E CA 0.671 56.722 56.400 -0.580 0.000 0.866 443 E CB -0.454 28.626 29.700 -1.034 0.000 0.832 443 E HN 0.502 nan 8.360 nan 0.000 0.500 444 I N 2.642 123.232 120.570 0.033 0.000 2.118 444 I HA -0.335 3.835 4.170 -0.001 0.000 0.241 444 I C 2.704 178.867 176.117 0.077 0.000 1.070 444 I CA 2.318 63.697 61.300 0.133 0.000 1.327 444 I CB -0.576 37.558 38.000 0.224 0.000 1.034 444 I HN 0.243 nan 8.210 nan 0.000 0.405 445 E N 1.048 121.230 120.200 -0.030 0.000 2.209 445 E HA -0.238 4.111 4.350 -0.001 0.000 0.196 445 E C 2.087 178.506 176.600 -0.301 0.000 0.993 445 E CA 1.472 57.766 56.400 -0.176 0.000 0.819 445 E CB -0.547 29.014 29.700 -0.231 0.000 0.745 445 E HN 0.432 nan 8.360 nan 0.000 0.477 446 F N 1.360 121.210 119.950 -0.168 0.000 2.163 446 F HA -0.085 4.442 4.527 -0.001 0.000 0.297 446 F C 2.474 178.105 175.800 -0.281 0.000 1.094 446 F CA 0.767 58.634 58.000 -0.222 0.000 1.290 446 F CB -0.500 38.414 39.000 -0.144 0.000 1.017 446 F HN -0.134 nan 8.300 nan 0.000 0.483 447 V N -1.023 118.799 119.914 -0.153 0.000 2.490 447 V HA -0.274 3.845 4.120 -0.001 0.000 0.250 447 V C 1.753 177.656 176.094 -0.318 0.000 1.061 447 V CA 1.575 63.630 62.300 -0.408 0.000 1.064 447 V CB -0.690 30.888 31.823 -0.410 0.000 0.670 447 V HN 0.219 nan 8.190 nan 0.000 0.461 448 F N 0.348 120.159 119.950 -0.231 0.000 2.797 448 F HA 0.378 4.905 4.527 -0.001 0.000 0.302 448 F C 1.839 177.537 175.800 -0.170 0.000 1.130 448 F CA 0.692 58.581 58.000 -0.185 0.000 1.387 448 F CB -0.155 38.717 39.000 -0.213 0.000 1.107 448 F HN 0.264 nan 8.300 nan 0.000 0.577 449 G N 0.260 108.977 108.800 -0.139 0.000 2.160 449 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.251 449 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.251 449 G C 1.137 175.723 174.900 -0.523 0.000 1.008 449 G CA 0.379 45.322 45.100 -0.262 0.000 0.724 449 G HN 0.285 nan 8.290 nan 0.000 0.514 450 L N -0.425 120.470 121.223 -0.548 0.000 2.187 450 L HA -0.064 4.276 4.340 -0.001 0.000 0.213 450 L C -0.096 176.377 176.870 -0.660 0.000 1.100 450 L CA 2.222 56.685 54.840 -0.629 0.000 0.765 450 L CB -1.773 40.049 42.059 -0.394 0.000 0.904 450 L HN 0.217 nan 8.230 nan 0.000 0.437 451 P HA -0.037 nan 4.420 nan 0.000 0.242 451 P C 1.672 178.743 177.300 -0.382 0.000 1.197 451 P CA 0.692 63.242 63.100 -0.917 0.000 0.765 451 P CB 0.051 31.039 31.700 -1.187 0.000 0.936 452 L N -1.623 119.375 121.223 -0.374 0.000 2.509 452 L HA 0.082 4.422 4.340 -0.001 0.000 0.222 452 L C 1.014 177.772 176.870 -0.187 0.000 1.123 452 L CA 0.177 54.882 54.840 -0.226 0.000 0.856 452 L CB -0.541 41.412 42.059 -0.176 0.000 0.985 452 L HN -0.096 nan 8.230 nan 0.000 0.456 453 V N -1.460 118.304 119.914 -0.249 0.000 2.389 453 V HA 0.233 4.353 4.120 -0.001 0.000 0.264 453 V C 1.363 177.428 176.094 -0.048 0.000 1.049 453 V CA -0.569 61.653 62.300 -0.131 0.000 0.932 453 V CB 1.311 33.055 31.823 -0.133 0.000 1.011 453 V HN 0.073 nan 8.190 nan 0.000 0.475 454 K N 3.908 124.291 120.400 -0.027 0.000 2.103 454 K HA -0.141 4.178 4.320 -0.001 0.000 0.207 454 K C 1.718 178.310 176.600 -0.014 0.000 1.048 454 K CA 1.832 58.114 56.287 -0.008 0.000 0.930 454 K CB -0.240 32.254 32.500 -0.009 0.000 0.716 454 K HN 0.899 nan 8.250 nan 0.000 0.444 455 E N 0.713 120.898 120.200 -0.024 0.000 2.284 455 E HA -0.141 4.208 4.350 -0.001 0.000 0.200 455 E C 1.773 178.342 176.600 -0.051 0.000 1.008 455 E CA 0.672 57.051 56.400 -0.035 0.000 0.829 455 E CB -0.296 29.384 29.700 -0.034 0.000 0.744 455 E HN 0.274 nan 8.360 nan 0.000 0.491 456 L N -0.203 120.996 121.223 -0.040 0.000 2.446 456 L HA 0.057 4.397 4.340 -0.001 0.000 0.219 456 L C -0.045 176.710 176.870 -0.192 0.000 1.116 456 L CA 0.105 54.900 54.840 -0.076 0.000 0.844 456 L CB -0.092 41.976 42.059 0.016 0.000 0.970 456 L HN 0.134 nan 8.230 nan 0.000 0.457 457 N N -1.541 117.092 118.700 -0.111 0.000 2.995 457 N HA -0.165 4.575 4.740 -0.001 0.000 0.247 457 N C -0.857 174.532 175.510 -0.202 0.000 1.129 457 N CA 0.531 53.496 53.050 -0.143 0.000 0.721 457 N CB -1.744 36.637 38.487 -0.176 0.000 1.079 457 N HN 0.212 nan 8.380 nan 0.000 0.553 458 Y N 0.585 120.859 120.300 -0.043 0.000 2.316 458 Y HA 0.367 4.917 4.550 -0.001 0.000 0.324 458 Y C 1.928 177.835 175.900 0.012 0.000 1.267 458 Y CA -0.142 57.952 58.100 -0.009 0.000 1.311 458 Y CB 0.518 38.950 38.460 -0.047 0.000 1.267 458 Y HN 0.106 nan 8.280 nan 0.000 0.516 459 T N -1.704 112.977 114.554 0.212 0.000 2.766 459 T HA 0.312 4.661 4.350 -0.001 0.000 0.295 459 T C 1.216 175.984 174.700 0.114 0.000 1.024 459 T CA -0.211 61.969 62.100 0.134 0.000 1.018 459 T CB 0.915 69.863 68.868 0.134 0.000 1.002 459 T HN 0.775 nan 8.240 nan 0.000 0.532 460 A N 0.792 123.653 122.820 0.068 0.000 2.014 460 A HA -0.015 4.304 4.320 -0.001 0.000 0.218 460 A C 2.286 179.890 177.584 0.034 0.000 1.163 460 A CA 0.977 53.039 52.037 0.042 0.000 0.652 460 A CB -0.625 18.390 19.000 0.025 0.000 0.808 460 A HN 0.923 nan 8.150 nan 0.000 0.449 461 E N 0.659 120.883 120.200 0.039 0.000 2.358 461 E HA -0.153 4.196 4.350 -0.001 0.000 0.195 461 E C 1.267 177.866 176.600 -0.002 0.000 1.010 461 E CA 1.042 57.447 56.400 0.008 0.000 0.856 461 E CB -0.466 29.234 29.700 -0.001 0.000 0.795 461 E HN 0.772 nan 8.360 nan 0.000 0.504 462 E N 1.193 121.435 120.200 0.070 0.000 2.107 462 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 462 E C 2.069 178.722 176.600 0.090 0.000 0.982 462 E CA 1.017 57.517 56.400 0.166 0.000 0.809 462 E CB -0.011 29.909 29.700 0.366 0.000 0.756 462 E HN 0.452 nan 8.360 nan 0.000 0.459 463 E N 1.036 121.244 120.200 0.013 0.000 2.110 463 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 463 E C 1.957 178.534 176.600 -0.038 0.000 0.988 463 E CA 1.060 57.424 56.400 -0.061 0.000 0.804 463 E CB -0.046 29.625 29.700 -0.049 0.000 0.745 463 E HN 0.190 nan 8.360 nan 0.000 0.458 464 A N 1.202 124.012 122.820 -0.017 0.000 1.898 464 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 464 A C 2.184 179.749 177.584 -0.030 0.000 1.181 464 A CA 1.269 53.288 52.037 -0.030 0.000 0.620 464 A CB -0.667 18.315 19.000 -0.029 0.000 0.819 464 A HN 0.414 nan 8.150 nan 0.000 0.442 465 L N -0.198 121.019 121.223 -0.010 0.000 2.046 465 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 465 L C 2.466 179.363 176.870 0.045 0.000 1.077 465 L CA 2.660 57.491 54.840 -0.016 0.000 0.747 465 L CB -0.870 41.138 42.059 -0.085 0.000 0.896 465 L HN 0.309 nan 8.230 nan 0.000 0.432 466 S N -0.597 115.188 115.700 0.142 0.000 2.370 466 S HA -0.229 4.240 4.470 -0.001 0.000 0.226 466 S C 2.196 176.774 174.600 -0.036 0.000 1.033 466 S CA 1.545 59.798 58.200 0.089 0.000 1.011 466 S CB -0.266 62.883 63.200 -0.085 0.000 0.852 466 S HN 0.583 nan 8.310 nan 0.000 0.457 467 R N 0.331 120.801 120.500 -0.050 0.000 2.092 467 R HA 0.061 4.400 4.340 -0.001 0.000 0.231 467 R C 2.670 178.926 176.300 -0.074 0.000 1.119 467 R CA 1.356 57.419 56.100 -0.061 0.000 0.970 467 R CB -0.212 30.047 30.300 -0.068 0.000 0.864 467 R HN 0.473 nan 8.270 nan 0.000 0.440 468 R N 0.425 120.858 120.500 -0.111 0.000 2.096 468 R HA -0.072 4.268 4.340 -0.001 0.000 0.235 468 R C 2.237 178.403 176.300 -0.223 0.000 1.127 468 R CA 1.202 57.156 56.100 -0.244 0.000 0.968 468 R CB -0.476 29.637 30.300 -0.311 0.000 0.861 468 R HN 0.237 nan 8.270 nan 0.000 0.440 469 I N 1.210 121.732 120.570 -0.080 0.000 2.142 469 I HA -0.278 3.891 4.170 -0.001 0.000 0.240 469 I C 2.587 178.686 176.117 -0.030 0.000 1.078 469 I CA 1.525 62.796 61.300 -0.050 0.000 1.343 469 I CB -0.259 37.575 38.000 -0.277 0.000 1.046 469 I HN 0.128 nan 8.210 nan 0.000 0.405 470 M N -0.586 118.961 119.600 -0.089 0.000 2.202 470 M HA -0.262 4.217 4.480 -0.001 0.000 0.262 470 M C 2.341 178.711 176.300 0.116 0.000 1.063 470 M CA 1.765 57.044 55.300 -0.034 0.000 1.097 470 M CB -0.650 31.915 32.600 -0.058 0.000 1.382 470 M HN 0.290 nan 8.290 nan 0.000 0.413 471 H N -0.680 118.401 119.070 0.017 0.000 2.403 471 H HA -0.085 4.471 4.556 -0.001 0.000 0.298 471 H C 1.536 176.976 175.328 0.187 0.000 1.059 471 H CA 1.595 57.665 56.048 0.037 0.000 1.363 471 H CB 0.140 29.872 29.762 -0.050 0.000 1.410 471 H HN 0.231 nan 8.280 nan 0.000 0.528 472 Y N -0.443 120.007 120.300 0.250 0.000 2.089 472 Y HA -0.263 4.287 4.550 -0.001 0.000 0.282 472 Y C 2.500 178.581 175.900 0.301 0.000 1.139 472 Y CA 1.221 59.508 58.100 0.312 0.000 1.123 472 Y CB -1.176 37.660 38.460 0.627 0.000 0.980 472 Y HN 0.355 nan 8.280 nan 0.000 0.493 473 W N -0.456 120.952 121.300 0.180 0.000 2.318 473 W HA -0.302 4.358 4.660 -0.000 0.000 0.313 473 W C 2.531 179.049 176.519 -0.001 0.000 1.221 473 W CA 1.278 58.649 57.345 0.042 0.000 1.266 473 W CB -0.493 28.925 29.460 -0.070 0.000 1.150 473 W HN 0.094 nan 8.180 nan 0.000 0.496 474 A N -0.530 122.388 122.820 0.163 0.000 1.930 474 A HA -0.094 4.226 4.320 -0.001 0.000 0.215 474 A C 1.814 179.364 177.584 -0.058 0.000 1.176 474 A CA 1.836 53.878 52.037 0.009 0.000 0.632 474 A CB -1.041 17.948 19.000 -0.019 0.000 0.819 474 A HN 0.161 nan 8.150 nan 0.000 0.445 475 T N -0.680 113.802 114.554 -0.119 0.000 2.821 475 T HA -0.081 4.269 4.350 -0.001 0.000 0.267 475 T C 1.587 176.235 174.700 -0.086 0.000 1.046 475 T CA 1.449 63.450 62.100 -0.164 0.000 1.139 475 T CB -0.370 68.356 68.868 -0.237 0.000 0.871 475 T HN 0.504 nan 8.240 nan 0.000 0.454 476 F N 2.374 122.222 119.950 -0.169 0.000 2.134 476 F HA 0.010 4.537 4.527 -0.001 0.000 0.299 476 F C 2.409 178.115 175.800 -0.156 0.000 1.097 476 F CA 1.056 58.922 58.000 -0.223 0.000 1.264 476 F CB -0.578 38.214 39.000 -0.346 0.000 1.001 476 F HN 0.133 nan 8.300 nan 0.000 0.479 477 A N 0.406 123.142 122.820 -0.139 0.000 1.933 477 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 477 A C 2.326 179.768 177.584 -0.238 0.000 1.175 477 A CA 1.903 53.809 52.037 -0.219 0.000 0.628 477 A CB -0.865 18.087 19.000 -0.079 0.000 0.814 477 A HN 0.523 nan 8.150 nan 0.000 0.444 478 K N -0.762 119.533 120.400 -0.175 0.000 2.228 478 K HA -0.091 4.229 4.320 -0.001 0.000 0.202 478 K C 1.524 178.032 176.600 -0.153 0.000 1.051 478 K CA 1.804 58.013 56.287 -0.130 0.000 0.960 478 K CB -0.028 32.421 32.500 -0.086 0.000 0.743 478 K HN 0.596 nan 8.250 nan 0.000 0.458 479 T N -5.303 109.124 114.554 -0.211 0.000 3.009 479 T HA 0.231 4.581 4.350 -0.001 0.000 0.267 479 T C 1.029 175.587 174.700 -0.236 0.000 0.942 479 T CA 0.502 62.497 62.100 -0.175 0.000 0.883 479 T CB 0.823 69.623 68.868 -0.113 0.000 1.192 479 T HN 0.259 nan 8.240 nan 0.000 0.524 480 G N 1.677 110.193 108.800 -0.473 0.000 2.143 480 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.249 480 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.249 480 G C -0.195 174.603 174.900 -0.171 0.000 0.981 480 G CA 0.123 44.898 45.100 -0.542 0.000 0.665 480 G HN 0.893 nan 8.290 nan 0.000 0.528 481 N N -0.449 118.159 118.700 -0.154 0.000 2.425 481 N HA 0.456 5.196 4.740 -0.001 0.000 0.289 481 N C -1.964 173.420 175.510 -0.210 0.000 1.074 481 N CA -1.689 51.274 53.050 -0.145 0.000 0.905 481 N CB 2.349 40.822 38.487 -0.024 0.000 1.586 481 N HN -0.078 nan 8.380 nan 0.000 0.490 482 P HA 0.034 nan 4.420 nan 0.000 0.241 482 P C -0.581 176.763 177.300 0.073 0.000 1.191 482 P CA 0.338 63.317 63.100 -0.201 0.000 0.771 482 P CB 0.239 31.596 31.700 -0.570 0.000 0.929 483 N N 1.469 120.174 118.700 0.007 0.000 2.499 483 N HA 0.116 4.856 4.740 -0.001 0.000 0.281 483 N C 0.094 175.680 175.510 0.126 0.000 1.098 483 N CA -0.101 53.043 53.050 0.157 0.000 0.979 483 N CB 0.969 39.545 38.487 0.149 0.000 1.121 483 N HN -0.054 nan 8.380 nan 0.000 0.466 484 E N 2.327 122.633 120.200 0.177 0.000 2.316 484 E HA 0.281 4.630 4.350 -0.001 0.000 0.275 484 E C -1.852 174.818 176.600 0.117 0.000 1.029 484 E CA -1.278 55.214 56.400 0.153 0.000 0.871 484 E CB 0.178 30.009 29.700 0.218 0.000 1.022 484 E HN 0.342 nan 8.360 nan 0.000 0.418 491 K N 2.698 123.204 120.400 0.178 0.000 2.326 491 K HA 0.147 4.467 4.320 -0.001 0.000 0.275 491 K C -0.292 176.486 176.600 0.297 0.000 1.018 491 K CA -0.270 56.157 56.287 0.234 0.000 0.962 491 K CB 0.288 32.904 32.500 0.194 0.000 0.953 491 K HN 0.685 nan 8.250 nan 0.000 0.475 492 W N 6.765 128.135 121.300 0.117 0.000 2.367 492 W HA 0.216 4.875 4.660 -0.001 0.000 0.329 492 W C -2.325 174.326 176.519 0.220 0.000 1.066 492 W CA -2.840 54.563 57.345 0.097 0.000 1.435 492 W CB -0.098 29.297 29.460 -0.109 0.000 1.296 492 W HN 0.374 nan 8.180 nan 0.000 0.401 493 P HA 0.028 nan 4.420 nan 0.000 0.274 493 P C -0.364 177.158 177.300 0.369 0.000 1.237 493 P CA -0.524 62.809 63.100 0.388 0.000 0.793 493 P CB 1.325 33.166 31.700 0.236 0.000 0.977 494 L N 2.075 123.363 121.223 0.107 0.000 2.461 494 L HA 0.195 4.534 4.340 -0.001 0.000 0.272 494 L C -0.024 176.847 176.870 0.001 0.000 1.197 494 L CA -0.213 54.483 54.840 -0.240 0.000 0.836 494 L CB -0.889 41.043 42.059 -0.211 0.000 1.105 494 L HN 0.243 nan 8.230 nan 0.000 0.477 495 F N 3.590 123.448 119.950 -0.154 0.000 2.420 495 F HA 0.505 5.031 4.527 -0.001 0.000 0.352 495 F C 0.217 175.998 175.800 -0.033 0.000 1.108 495 F CA -0.368 57.631 58.000 -0.001 0.000 1.162 495 F CB 0.715 39.748 39.000 0.056 0.000 1.118 495 F HN 0.615 nan 8.300 nan 0.000 0.510 496 T N 0.839 115.145 114.554 -0.414 0.000 2.908 496 T HA 0.295 4.645 4.350 -0.001 0.000 0.290 496 T C 0.936 175.376 174.700 -0.432 0.000 1.034 496 T CA -0.096 61.846 62.100 -0.264 0.000 1.010 496 T CB 1.404 70.170 68.868 -0.171 0.000 1.068 496 T HN 0.609 nan 8.240 nan 0.000 0.481 497 T N -0.757 113.686 114.554 -0.186 0.000 2.833 497 T HA -0.012 4.338 4.350 -0.001 0.000 0.269 497 T C 2.344 176.945 174.700 -0.165 0.000 1.054 497 T CA 1.417 63.432 62.100 -0.143 0.000 1.135 497 T CB -0.818 68.032 68.868 -0.029 0.000 0.869 497 T HN 0.883 nan 8.240 nan 0.000 0.466 498 K N 1.590 121.903 120.400 -0.146 0.000 2.001 498 K HA 0.032 4.352 4.320 -0.001 0.000 0.208 498 K C 2.111 178.638 176.600 -0.122 0.000 1.048 498 K CA 1.667 57.891 56.287 -0.106 0.000 0.932 498 K CB -0.964 31.489 32.500 -0.078 0.000 0.715 498 K HN 0.501 nan 8.250 nan 0.000 0.437 499 E N -0.825 119.276 120.200 -0.165 0.000 2.340 499 E HA 0.097 4.447 4.350 -0.001 0.000 0.194 499 E C -0.037 176.462 176.600 -0.168 0.000 0.996 499 E CA 0.130 56.451 56.400 -0.132 0.000 0.869 499 E CB 0.525 30.166 29.700 -0.098 0.000 0.835 499 E HN 0.519 nan 8.360 nan 0.000 0.493 500 Q N 0.530 120.088 119.800 -0.404 0.000 2.457 500 Q HA -0.225 4.115 4.340 -0.001 0.000 0.283 500 Q C -0.919 175.074 176.000 -0.011 0.000 1.234 500 Q CA 0.608 56.097 55.803 -0.522 0.000 0.877 500 Q CB -1.140 27.506 28.738 -0.154 0.000 1.250 500 Q HN 0.192 nan 8.270 nan 0.000 0.481 501 K N 0.484 120.895 120.400 0.017 0.000 2.258 501 K HA 0.527 4.847 4.320 -0.001 0.000 0.264 501 K C 0.179 177.117 176.600 0.563 0.000 1.007 501 K CA 0.297 56.721 56.287 0.227 0.000 0.941 501 K CB 0.553 33.120 32.500 0.113 0.000 0.966 501 K HN 0.201 nan 8.250 nan 0.000 0.480 502 F N -0.873 119.250 119.950 0.289 0.000 2.789 502 F HA 0.613 5.139 4.527 -0.001 0.000 0.319 502 F C -0.861 175.053 175.800 0.189 0.000 1.168 502 F CA -1.577 56.620 58.000 0.327 0.000 0.934 502 F CB 0.733 39.938 39.000 0.341 0.000 1.375 502 F HN 0.427 nan 8.300 nan 0.000 0.480 503 I N -0.890 119.812 120.570 0.220 0.000 2.910 503 I HA 0.642 4.812 4.170 -0.001 0.000 0.310 503 I C -1.104 175.188 176.117 0.292 0.000 1.043 503 I CA -0.912 60.378 61.300 -0.017 0.000 1.053 503 I CB 1.859 39.611 38.000 -0.414 0.000 1.242 503 I HN 0.461 nan 8.210 nan 0.000 0.452 504 D N 2.983 123.523 120.400 0.234 0.000 2.388 504 D HA 0.515 5.155 4.640 -0.001 0.000 0.254 504 D C -0.830 175.565 176.300 0.159 0.000 1.111 504 D CA -0.111 54.091 54.000 0.338 0.000 0.993 504 D CB 1.963 42.939 40.800 0.293 0.000 1.118 504 D HN 0.183 nan 8.370 nan 0.000 0.502 505 L N 2.101 123.404 121.223 0.133 0.000 2.415 505 L HA 0.316 4.655 4.340 -0.001 0.000 0.268 505 L C -0.786 175.987 176.870 -0.161 0.000 0.984 505 L CA -0.607 54.253 54.840 0.033 0.000 0.853 505 L CB 0.224 42.374 42.059 0.152 0.000 1.215 505 L HN 0.536 nan 8.230 nan 0.000 0.419 506 N N -0.873 117.748 118.700 -0.132 0.000 3.116 506 N HA 0.280 5.019 4.740 -0.001 0.000 0.244 506 N C 0.631 176.039 175.510 -0.170 0.000 1.485 506 N CA -0.131 52.797 53.050 -0.204 0.000 0.884 506 N CB 0.382 38.819 38.487 -0.084 0.000 1.415 506 N HN 0.160 nan 8.380 nan 0.000 0.524 507 T N -3.486 110.922 114.554 -0.243 0.000 2.720 507 T HA -0.105 4.245 4.350 -0.001 0.000 0.268 507 T C 0.470 175.140 174.700 -0.049 0.000 1.037 507 T CA 1.330 63.331 62.100 -0.165 0.000 1.144 507 T CB -0.729 68.017 68.868 -0.203 0.000 0.864 507 T HN 0.513 nan 8.240 nan 0.000 0.444 508 E N 2.917 123.113 120.200 -0.007 0.000 2.459 508 E HA 0.225 4.575 4.350 -0.001 0.000 0.264 508 E C -2.178 174.428 176.600 0.009 0.000 1.055 508 E CA -1.126 55.283 56.400 0.015 0.000 0.957 508 E CB -0.413 29.310 29.700 0.038 0.000 0.952 508 E HN 0.615 nan 8.360 nan 0.000 0.448 509 P HA 0.027 nan 4.420 nan 0.000 0.269 509 P C -0.071 177.236 177.300 0.012 0.000 1.209 509 P CA -0.118 62.989 63.100 0.012 0.000 0.776 509 P CB 0.289 31.996 31.700 0.012 0.000 0.876 510 M N 1.172 120.782 119.600 0.017 0.000 2.245 510 M HA 0.307 4.787 4.480 -0.001 0.000 0.344 510 M C -0.358 175.920 176.300 -0.036 0.000 1.170 510 M CA 0.749 56.053 55.300 0.007 0.000 1.135 510 M CB 0.369 32.987 32.600 0.030 0.000 1.574 510 M HN 0.133 nan 8.290 nan 0.000 0.452 511 K N 2.206 122.551 120.400 -0.093 0.000 2.350 511 K HA 0.763 5.083 4.320 -0.001 0.000 0.241 511 K C -1.459 174.904 176.600 -0.395 0.000 0.994 511 K CA -1.048 55.096 56.287 -0.239 0.000 0.839 511 K CB 2.694 35.003 32.500 -0.318 0.000 1.244 511 K HN 0.597 nan 8.250 nan 0.000 0.443 512 V N 2.641 122.282 119.914 -0.455 0.000 2.435 512 V HA 0.333 4.453 4.120 -0.001 0.000 0.290 512 V C -0.312 175.367 176.094 -0.692 0.000 1.030 512 V CA -0.617 61.420 62.300 -0.438 0.000 0.881 512 V CB 1.137 32.845 31.823 -0.191 0.000 0.983 512 V HN 0.688 nan 8.190 nan 0.000 0.445 513 H N 2.946 121.634 119.070 -0.638 0.000 2.896 513 H HA 0.666 5.222 4.556 -0.001 0.000 0.318 513 H C -0.998 174.018 175.328 -0.521 0.000 1.409 513 H CA -0.789 54.852 56.048 -0.678 0.000 1.328 513 H CB 2.233 31.390 29.762 -1.009 0.000 1.940 513 H HN 0.546 nan 8.280 nan 0.000 0.665 514 Q N -0.070 119.731 119.800 0.003 0.000 2.456 514 Q HA 0.349 4.689 4.340 -0.001 0.000 0.283 514 Q C -0.715 175.515 176.000 0.383 0.000 1.084 514 Q CA -0.950 54.983 55.803 0.217 0.000 0.801 514 Q CB 2.789 31.585 28.738 0.096 0.000 1.434 514 Q HN 0.444 nan 8.270 nan 0.000 0.419 515 R N 0.982 121.686 120.500 0.340 0.000 3.022 515 R HA -0.217 4.123 4.340 -0.001 0.000 0.248 515 R C -0.609 175.840 176.300 0.248 0.000 0.874 515 R CA -0.090 56.164 56.100 0.256 0.000 0.626 515 R CB -1.389 29.004 30.300 0.156 0.000 1.255 515 R HN 0.388 nan 8.270 nan 0.000 0.496 516 L N 2.126 123.474 121.223 0.208 0.000 2.615 516 L HA -0.002 4.337 4.340 -0.001 0.000 0.271 516 L C 0.694 177.559 176.870 -0.009 0.000 1.183 516 L CA 0.596 55.383 54.840 -0.087 0.000 0.933 516 L CB -0.035 41.638 42.059 -0.643 0.000 1.199 516 L HN 0.469 nan 8.230 nan 0.000 0.487 517 R N 2.146 122.655 120.500 0.015 0.000 3.387 517 R HA -0.210 4.130 4.340 -0.001 0.000 0.254 517 R C 1.181 177.555 176.300 0.123 0.000 1.006 517 R CA 0.604 56.751 56.100 0.079 0.000 0.677 517 R CB -2.132 28.235 30.300 0.113 0.000 1.063 517 R HN 0.744 nan 8.270 nan 0.000 0.453 518 V N -2.289 117.693 119.914 0.115 0.000 2.255 518 V HA -0.348 3.771 4.120 -0.001 0.000 0.247 518 V C 2.344 178.517 176.094 0.132 0.000 1.051 518 V CA 2.138 64.516 62.300 0.130 0.000 1.018 518 V CB -0.525 31.365 31.823 0.111 0.000 0.641 518 V HN 0.312 nan 8.190 nan 0.000 0.445 519 Q N -0.110 119.747 119.800 0.095 0.000 2.029 519 Q HA -0.220 4.120 4.340 -0.001 0.000 0.209 519 Q C 2.193 178.261 176.000 0.113 0.000 0.999 519 Q CA 2.435 58.280 55.803 0.070 0.000 0.857 519 Q CB -0.415 28.331 28.738 0.014 0.000 0.926 519 Q HN 0.558 nan 8.270 nan 0.000 0.415 520 M N -1.121 118.569 119.600 0.151 0.000 2.132 520 M HA -0.147 4.332 4.480 -0.001 0.000 0.263 520 M C 2.434 179.032 176.300 0.496 0.000 1.065 520 M CA 1.062 56.538 55.300 0.293 0.000 1.122 520 M CB -1.311 31.518 32.600 0.382 0.000 1.365 520 M HN 0.339 nan 8.290 nan 0.000 0.411 521 c N -0.287 118.549 118.600 0.393 0.000 2.432 521 c HA -0.027 4.542 4.570 -0.001 0.000 0.280 521 c C 2.977 177.253 174.090 0.311 0.000 1.353 521 c CA 0.190 56.754 56.329 0.391 0.000 1.766 521 c CB -0.968 41.705 42.510 0.272 0.000 1.924 521 c HN 0.332 nan 8.230 nan 0.000 0.509 522 V N 0.708 120.770 119.914 0.247 0.000 2.490 522 V HA -0.230 3.890 4.120 -0.001 0.000 0.250 522 V C 2.054 178.281 176.094 0.221 0.000 1.061 522 V CA 2.236 64.656 62.300 0.201 0.000 1.064 522 V CB -0.755 31.159 31.823 0.151 0.000 0.670 522 V HN 0.598 nan 8.190 nan 0.000 0.461 523 F N -0.160 119.841 119.950 0.085 0.000 2.084 523 F HA -0.161 4.366 4.527 -0.001 0.000 0.296 523 F C 1.950 177.753 175.800 0.006 0.000 1.111 523 F CA 1.611 59.616 58.000 0.009 0.000 1.224 523 F CB -0.412 38.484 39.000 -0.174 0.000 0.991 523 F HN 0.172 nan 8.300 nan 0.000 0.471 524 W N 0.589 121.945 121.300 0.092 0.000 2.467 524 W HA -0.066 4.594 4.660 -0.001 0.000 0.275 524 W C 2.073 178.547 176.519 -0.076 0.000 1.239 524 W CA 0.741 58.056 57.345 -0.050 0.000 1.266 524 W CB -0.407 29.162 29.460 0.181 0.000 1.112 524 W HN -0.012 nan 8.180 nan 0.000 0.576 525 N N -0.723 118.088 118.700 0.184 0.000 2.402 525 N HA -0.013 4.727 4.740 -0.001 0.000 0.174 525 N C 1.448 176.953 175.510 -0.007 0.000 1.027 525 N CA 0.933 54.010 53.050 0.044 0.000 0.891 525 N CB -0.153 38.375 38.487 0.068 0.000 1.016 525 N HN 0.311 nan 8.380 nan 0.000 0.439 526 Q N -0.835 118.988 119.800 0.040 0.000 2.525 526 Q HA 0.196 4.536 4.340 -0.001 0.000 0.203 526 Q C 1.435 177.437 176.000 0.003 0.000 0.947 526 Q CA 0.113 55.939 55.803 0.039 0.000 0.881 526 Q CB 0.035 28.831 28.738 0.097 0.000 1.049 526 Q HN 0.140 nan 8.270 nan 0.000 0.600 527 F N 1.292 121.163 119.950 -0.131 0.000 2.084 527 F HA -0.182 4.344 4.527 -0.001 0.000 0.296 527 F C 1.910 177.544 175.800 -0.276 0.000 1.111 527 F CA 1.012 58.913 58.000 -0.165 0.000 1.224 527 F CB -0.274 38.667 39.000 -0.098 0.000 0.991 527 F HN 0.073 nan 8.300 nan 0.000 0.471 528 L N 1.191 122.047 121.223 -0.612 0.000 2.017 528 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 528 L C -0.851 175.762 176.870 -0.428 0.000 1.073 528 L CA 2.042 56.468 54.840 -0.690 0.000 0.745 528 L CB -1.975 39.581 42.059 -0.838 0.000 0.894 528 L HN -0.006 nan 8.230 nan 0.000 0.432 529 P HA -0.225 nan 4.420 nan 0.000 0.215 529 P C 1.565 178.744 177.300 -0.201 0.000 1.157 529 P CA 1.670 64.669 63.100 -0.168 0.000 0.868 529 P CB -0.063 31.569 31.700 -0.114 0.000 0.788 530 K N -0.410 119.844 120.400 -0.244 0.000 2.044 530 K HA -0.192 4.127 4.320 -0.001 0.000 0.210 530 K C 1.948 178.365 176.600 -0.304 0.000 1.049 530 K CA 1.482 57.627 56.287 -0.237 0.000 0.927 530 K CB -0.868 31.506 32.500 -0.210 0.000 0.713 530 K HN -0.050 nan 8.250 nan 0.000 0.443 531 L N 1.272 122.186 121.223 -0.516 0.000 2.083 531 L HA -0.122 4.218 4.340 -0.001 0.000 0.209 531 L C 1.688 178.408 176.870 -0.250 0.000 1.083 531 L CA 1.702 56.271 54.840 -0.453 0.000 0.752 531 L CB -0.751 40.878 42.059 -0.716 0.000 0.899 531 L HN 0.256 nan 8.230 nan 0.000 0.433 532 L N -0.156 120.935 121.223 -0.221 0.000 2.240 532 L HA -0.066 4.273 4.340 -0.001 0.000 0.211 532 L C 2.289 179.104 176.870 -0.091 0.000 1.106 532 L CA 0.963 55.726 54.840 -0.129 0.000 0.793 532 L CB -0.775 41.229 42.059 -0.091 0.000 0.927 532 L HN 0.347 nan 8.230 nan 0.000 0.446 533 N N 0.501 119.141 118.700 -0.099 0.000 2.289 533 N HA -0.155 4.584 4.740 -0.001 0.000 0.184 533 N C 1.668 177.140 175.510 -0.063 0.000 1.016 533 N CA 1.451 54.459 53.050 -0.070 0.000 0.872 533 N CB 0.105 38.551 38.487 -0.069 0.000 0.973 533 N HN 0.331 nan 8.380 nan 0.000 0.433 534 A N -1.022 121.750 122.820 -0.080 0.000 1.956 534 A HA 0.126 4.445 4.320 -0.001 0.000 0.212 534 A C 1.294 178.848 177.584 -0.050 0.000 1.188 534 A CA 1.069 53.068 52.037 -0.062 0.000 0.675 534 A CB -0.697 18.260 19.000 -0.072 0.000 0.845 534 A HN 0.449 nan 8.150 nan 0.000 0.455 535 T N 0.000 114.518 114.554 -0.059 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.074 62.100 -0.044 0.000 1.349 535 T CB 0.000 68.839 68.868 -0.048 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658