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 1zgc_1_B 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 0.000 174.644 174.600 0.074 0.000 1.055 4 S CA 0.000 58.229 58.200 0.048 0.000 1.107 4 S CB 0.000 63.227 63.200 0.045 0.000 0.593 5 E N 3.373 123.625 120.200 0.087 0.000 2.233 5 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 5 E C 1.105 177.840 176.600 0.224 0.000 1.004 5 E CA 1.574 58.055 56.400 0.135 0.000 0.819 5 E CB -0.004 29.765 29.700 0.115 0.000 0.738 5 E HN 0.792 nan 8.360 nan 0.000 0.478 6 L N 0.273 121.595 121.223 0.166 0.000 2.567 6 L HA 0.154 4.494 4.340 -0.000 0.000 0.225 6 L C 0.266 177.309 176.870 0.288 0.000 1.119 6 L CA -0.331 54.618 54.840 0.182 0.000 0.871 6 L CB 0.390 42.455 42.059 0.010 0.000 1.036 6 L HN 0.126 nan 8.230 nan 0.000 0.459 7 L N 0.958 122.306 121.223 0.209 0.000 2.318 7 L HA 0.542 4.882 4.340 -0.000 0.000 0.277 7 L C -0.763 176.173 176.870 0.110 0.000 1.008 7 L CA -0.248 54.697 54.840 0.175 0.000 0.846 7 L CB 1.439 43.559 42.059 0.101 0.000 1.220 7 L HN -0.314 nan 8.230 nan 0.000 0.423 8 V N 4.917 124.891 119.914 0.100 0.000 2.656 8 V HA 0.427 4.547 4.120 -0.000 0.000 0.307 8 V C -0.272 175.748 176.094 -0.123 0.000 1.051 8 V CA -0.802 61.419 62.300 -0.133 0.000 0.893 8 V CB 2.044 33.558 31.823 -0.516 0.000 0.999 8 V HN 0.787 nan 8.190 nan 0.000 0.426 9 N N 2.327 120.878 118.700 -0.248 0.000 2.426 9 N HA 0.427 5.167 4.740 -0.000 0.000 0.257 9 N C -0.165 175.070 175.510 -0.458 0.000 1.002 9 N CA -0.227 52.660 53.050 -0.273 0.000 0.942 9 N CB 1.223 39.527 38.487 -0.305 0.000 1.112 9 N HN 0.906 nan 8.380 nan 0.000 0.499 10 T N 0.499 114.912 114.554 -0.236 0.000 2.922 10 T HA 0.287 4.637 4.350 -0.000 0.000 0.281 10 T C 1.137 175.702 174.700 -0.224 0.000 1.005 10 T CA -0.556 61.440 62.100 -0.174 0.000 0.982 10 T CB 1.471 70.491 68.868 0.253 0.000 1.158 10 T HN 0.350 nan 8.240 nan 0.000 0.566 11 K N 0.197 120.532 120.400 -0.108 0.000 2.280 11 K HA -0.032 4.288 4.320 -0.000 0.000 0.202 11 K C 1.840 178.351 176.600 -0.147 0.000 1.047 11 K CA 1.462 57.686 56.287 -0.105 0.000 0.942 11 K CB -0.093 32.388 32.500 -0.032 0.000 0.739 11 K HN 0.685 nan 8.250 nan 0.000 0.457 12 S N -1.108 114.485 115.700 -0.178 0.000 2.539 12 S HA 0.358 4.828 4.470 -0.000 0.000 0.221 12 S C 0.480 174.452 174.600 -1.047 0.000 0.987 12 S CA -0.225 57.752 58.200 -0.372 0.000 0.929 12 S CB 1.197 64.348 63.200 -0.080 0.000 0.832 12 S HN 0.350 nan 8.310 nan 0.000 0.492 13 G N 0.937 109.214 108.800 -0.872 0.000 2.361 13 G HA2 0.168 4.128 3.960 -0.000 0.000 0.331 13 G HA3 0.168 4.128 3.960 -0.000 0.000 0.331 13 G C -1.795 172.925 174.900 -0.299 0.000 1.324 13 G CA -1.184 43.304 45.100 -1.019 0.000 0.984 13 G HN 0.173 nan 8.290 nan 0.000 0.586 14 K N -0.999 119.449 120.400 0.080 0.000 2.087 14 K HA 0.770 5.090 4.320 -0.000 0.000 0.255 14 K C -0.662 176.326 176.600 0.647 0.000 0.988 14 K CA -0.748 55.707 56.287 0.281 0.000 0.915 14 K CB 2.177 34.801 32.500 0.207 0.000 1.043 14 K HN 0.401 nan 8.250 nan 0.000 0.457 15 V N 2.206 122.423 119.914 0.505 0.000 2.971 15 V HA 0.360 4.480 4.120 -0.000 0.000 0.309 15 V C -1.447 174.927 176.094 0.467 0.000 1.130 15 V CA -0.897 61.756 62.300 0.588 0.000 0.964 15 V CB 2.100 34.318 31.823 0.658 0.000 1.029 15 V HN 0.736 nan 8.190 nan 0.000 0.427 16 M N 3.745 123.583 119.600 0.397 0.000 2.142 16 M HA 0.786 5.265 4.480 -0.000 0.000 0.299 16 M C 0.020 176.409 176.300 0.149 0.000 0.960 16 M CA 0.074 55.528 55.300 0.258 0.000 0.920 16 M CB 1.248 33.934 32.600 0.144 0.000 1.541 16 M HN 0.721 nan 8.290 nan 0.000 0.429 17 G N 1.459 110.233 108.800 -0.044 0.000 2.574 17 G HA2 0.673 4.633 3.960 -0.000 0.000 0.248 17 G HA3 0.673 4.633 3.960 -0.000 0.000 0.248 17 G C -1.074 173.616 174.900 -0.350 0.000 1.422 17 G CA -0.301 44.492 45.100 -0.512 0.000 1.051 17 G HN 0.709 nan 8.290 nan 0.000 0.560 18 T N -1.558 112.746 114.554 -0.417 0.000 2.932 18 T HA 0.479 4.829 4.350 -0.000 0.000 0.318 18 T C -0.974 173.586 174.700 -0.234 0.000 1.265 18 T CA -0.678 61.268 62.100 -0.257 0.000 1.036 18 T CB 1.518 70.255 68.868 -0.218 0.000 1.209 18 T HN 0.588 nan 8.240 nan 0.000 0.484 19 R N 2.995 123.392 120.500 -0.171 0.000 2.234 19 R HA 0.626 4.966 4.340 -0.000 0.000 0.324 19 R C -0.346 175.875 176.300 -0.133 0.000 1.054 19 R CA -0.482 55.532 56.100 -0.142 0.000 0.912 19 R CB 0.327 30.521 30.300 -0.177 0.000 1.030 19 R HN 0.525 nan 8.270 nan 0.000 0.455 20 V N 2.930 122.806 119.914 -0.062 0.000 2.555 20 V HA 0.685 4.805 4.120 -0.000 0.000 0.302 20 V C -2.487 173.643 176.094 0.060 0.000 1.038 20 V CA -2.791 59.493 62.300 -0.026 0.000 0.887 20 V CB 1.539 33.356 31.823 -0.010 0.000 0.991 20 V HN 0.742 nan 8.190 nan 0.000 0.434 21 P HA 0.410 nan 4.420 nan 0.000 0.275 21 P C -0.848 176.433 177.300 -0.032 0.000 1.227 21 P CA -0.093 63.114 63.100 0.179 0.000 0.781 21 P CB 1.386 33.176 31.700 0.149 0.000 0.906 22 V N 2.574 122.395 119.914 -0.154 0.000 2.655 22 V HA 0.207 4.327 4.120 -0.000 0.000 0.301 22 V C 0.591 176.508 176.094 -0.296 0.000 1.082 22 V CA -1.070 61.086 62.300 -0.241 0.000 0.899 22 V CB 1.240 32.807 31.823 -0.426 0.000 1.014 22 V HN 0.451 nan 8.190 nan 0.000 0.429 23 L N 3.789 124.957 121.223 -0.091 0.000 3.833 23 L HA -0.294 4.046 4.340 -0.000 0.000 0.447 23 L C 1.280 178.064 176.870 -0.144 0.000 1.213 23 L CA 0.846 55.649 54.840 -0.060 0.000 0.801 23 L CB -1.621 40.458 42.059 0.033 0.000 1.676 23 L HN 1.562 nan 8.230 nan 0.000 0.883 24 S N -3.803 111.801 115.700 -0.161 0.000 3.476 24 S HA -0.260 4.210 4.470 -0.000 0.000 0.309 24 S C 0.299 174.715 174.600 -0.306 0.000 1.222 24 S CA 1.353 59.439 58.200 -0.190 0.000 0.922 24 S CB -1.326 61.819 63.200 -0.092 0.000 1.023 24 S HN 0.913 nan 8.310 nan 0.000 0.591 25 S N -0.403 115.017 115.700 -0.466 0.000 3.081 25 S HA 0.862 5.332 4.470 -0.000 0.000 0.316 25 S C -0.798 173.402 174.600 -0.667 0.000 1.089 25 S CA -0.364 57.507 58.200 -0.548 0.000 0.897 25 S CB 1.238 64.213 63.200 -0.375 0.000 1.358 25 S HN 0.726 nan 8.310 nan 0.000 0.678 26 H N -0.635 118.332 119.070 -0.171 0.000 2.980 26 H HA 0.751 5.307 4.556 -0.000 0.000 0.367 26 H C -0.590 174.717 175.328 -0.036 0.000 1.206 26 H CA -0.536 55.450 56.048 -0.103 0.000 1.126 26 H CB 1.767 31.503 29.762 -0.043 0.000 1.838 26 H HN 0.711 nan 8.280 nan 0.000 0.552 27 I N -2.270 118.386 120.570 0.144 0.000 3.334 27 I HA 0.628 4.798 4.170 -0.000 0.000 0.316 27 I C -1.222 174.974 176.117 0.131 0.000 1.251 27 I CA -0.880 60.522 61.300 0.170 0.000 0.929 27 I CB 2.452 40.589 38.000 0.228 0.000 1.317 27 I HN 0.385 nan 8.210 nan 0.000 0.479 28 S N 1.473 117.268 115.700 0.158 0.000 2.508 28 S HA 0.839 5.309 4.470 -0.000 0.000 0.284 28 S C -0.310 174.294 174.600 0.005 0.000 1.192 28 S CA -0.434 57.797 58.200 0.052 0.000 1.070 28 S CB 1.404 64.712 63.200 0.181 0.000 1.004 28 S HN 0.849 nan 8.310 nan 0.000 0.493 29 A N 2.379 125.025 122.820 -0.290 0.000 2.386 29 A HA 0.829 5.149 4.320 -0.000 0.000 0.311 29 A C -1.370 175.811 177.584 -0.672 0.000 1.068 29 A CA -0.622 51.156 52.037 -0.432 0.000 0.743 29 A CB 0.585 19.300 19.000 -0.475 0.000 1.258 29 A HN 0.672 nan 8.150 nan 0.000 0.429 30 F N 2.310 122.100 119.950 -0.267 0.000 2.434 30 F HA 0.450 4.977 4.527 -0.000 0.000 0.367 30 F C -0.282 175.386 175.800 -0.221 0.000 1.093 30 F CA -0.296 57.635 58.000 -0.116 0.000 1.085 30 F CB 1.357 40.367 39.000 0.017 0.000 1.322 30 F HN 0.337 nan 8.300 nan 0.000 0.452 31 L N 2.545 123.710 121.223 -0.097 0.000 2.295 31 L HA 0.709 5.049 4.340 -0.000 0.000 0.285 31 L C 0.852 177.752 176.870 0.050 0.000 1.035 31 L CA -0.855 53.925 54.840 -0.099 0.000 0.806 31 L CB 1.536 43.460 42.059 -0.226 0.000 1.214 31 L HN 0.844 nan 8.230 nan 0.000 0.426 32 G N 3.450 112.304 108.800 0.090 0.000 2.204 32 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 32 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 32 G C -0.200 174.808 174.900 0.180 0.000 1.062 32 G CA -0.547 44.621 45.100 0.113 0.000 0.798 32 G HN 0.490 nan 8.290 nan 0.000 0.496 33 I N 2.154 122.734 120.570 0.015 0.000 2.416 33 I HA 0.246 4.415 4.170 -0.000 0.000 0.288 33 I C -1.464 174.447 176.117 -0.343 0.000 1.051 33 I CA -2.161 58.961 61.300 -0.297 0.000 1.375 33 I CB 1.231 39.038 38.000 -0.322 0.000 1.407 33 I HN -0.011 nan 8.210 nan 0.000 0.516 34 P HA 0.075 nan 4.420 nan 0.000 0.280 34 P C -0.304 176.656 177.300 -0.568 0.000 1.244 34 P CA -0.026 62.571 63.100 -0.839 0.000 0.784 34 P CB 0.645 31.739 31.700 -1.011 0.000 0.913 35 F N 0.578 120.210 119.950 -0.528 0.000 2.767 35 F HA 0.728 5.255 4.527 -0.000 0.000 0.323 35 F C 0.043 175.757 175.800 -0.143 0.000 1.091 35 F CA -0.732 57.049 58.000 -0.365 0.000 1.192 35 F CB 0.064 38.813 39.000 -0.419 0.000 1.056 35 F HN 0.353 nan 8.300 nan 0.000 0.571 36 A N 0.070 122.533 122.820 -0.596 0.000 2.569 36 A HA 0.608 4.928 4.320 -0.000 0.000 0.290 36 A C -0.797 176.604 177.584 -0.304 0.000 1.136 36 A CA -0.771 51.067 52.037 -0.332 0.000 0.710 36 A CB 0.969 19.729 19.000 -0.400 0.000 1.303 36 A HN 0.048 nan 8.150 nan 0.000 0.413 37 E N 0.924 121.034 120.200 -0.148 0.000 2.398 37 E HA 0.244 4.594 4.350 -0.000 0.000 0.263 37 E C -2.290 174.212 176.600 -0.163 0.000 1.046 37 E CA -1.276 55.055 56.400 -0.114 0.000 0.908 37 E CB 0.019 29.694 29.700 -0.042 0.000 0.963 37 E HN 0.234 nan 8.360 nan 0.000 0.431 38 P HA 0.023 nan 4.420 nan 0.000 0.261 38 P C -2.248 174.997 177.300 -0.092 0.000 1.203 38 P CA -0.794 62.236 63.100 -0.117 0.000 0.767 38 P CB -0.095 31.575 31.700 -0.050 0.000 0.785 39 P HA 0.023 nan 4.420 nan 0.000 0.218 39 P C -0.305 176.942 177.300 -0.088 0.000 1.793 39 P CA 0.024 63.072 63.100 -0.086 0.000 0.941 39 P CB -0.017 31.631 31.700 -0.086 0.000 1.919 40 V N -2.530 117.342 119.914 -0.071 0.000 2.994 40 V HA 0.909 5.029 4.120 -0.000 0.000 0.318 40 V C 0.864 176.930 176.094 -0.046 0.000 1.085 40 V CA 0.177 62.436 62.300 -0.068 0.000 0.998 40 V CB 0.968 32.758 31.823 -0.056 0.000 1.063 40 V HN 0.552 nan 8.190 nan 0.000 0.447 41 G N 3.196 111.971 108.800 -0.041 0.000 2.596 41 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.304 41 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.304 41 G C 0.637 175.532 174.900 -0.009 0.000 1.189 41 G CA 1.023 46.115 45.100 -0.014 0.000 0.986 41 G HN 2.058 nan 8.290 nan 0.000 0.548 42 N N 1.364 120.070 118.700 0.010 0.000 2.521 42 N HA 0.100 4.840 4.740 -0.000 0.000 0.188 42 N C 1.840 177.359 175.510 0.015 0.000 1.146 42 N CA 1.660 54.726 53.050 0.026 0.000 0.893 42 N CB -0.206 38.299 38.487 0.030 0.000 0.975 42 N HN 0.675 nan 8.380 nan 0.000 0.451 43 M N -0.532 119.061 119.600 -0.012 0.000 2.371 43 M HA 0.144 4.624 4.480 -0.000 0.000 0.246 43 M C 0.618 176.885 176.300 -0.054 0.000 1.103 43 M CA -0.349 54.941 55.300 -0.017 0.000 1.010 43 M CB 0.439 33.026 32.600 -0.021 0.000 1.457 43 M HN 0.064 nan 8.290 nan 0.000 0.486 44 R N 0.943 121.373 120.500 -0.117 0.000 2.489 44 R HA 0.032 4.372 4.340 -0.000 0.000 0.287 44 R C -0.404 175.717 176.300 -0.299 0.000 1.053 44 R CA 0.624 56.542 56.100 -0.304 0.000 1.036 44 R CB 0.231 30.271 30.300 -0.432 0.000 0.966 44 R HN 0.253 nan 8.270 nan 0.000 0.432 45 F N -0.627 119.328 119.950 0.009 0.000 2.590 45 F HA -0.283 4.244 4.527 -0.000 0.000 0.471 45 F C 0.509 176.287 175.800 -0.035 0.000 0.551 45 F CA 0.873 58.851 58.000 -0.037 0.000 1.228 45 F CB -1.310 37.656 39.000 -0.056 0.000 1.862 45 F HN 0.612 nan 8.300 nan 0.000 0.271 46 R N 1.280 121.842 120.500 0.103 0.000 2.543 46 R HA 0.536 4.876 4.340 -0.000 0.000 0.268 46 R C 0.649 176.967 176.300 0.030 0.000 1.067 46 R CA -0.973 55.164 56.100 0.060 0.000 1.142 46 R CB 0.650 30.974 30.300 0.039 0.000 1.110 46 R HN 0.103 nan 8.270 nan 0.000 0.549 47 R N 1.981 122.498 120.500 0.028 0.000 2.697 47 R HA 0.022 4.362 4.340 -0.000 0.000 0.265 47 R C -1.842 174.474 176.300 0.026 0.000 1.009 47 R CA -0.819 55.298 56.100 0.028 0.000 1.099 47 R CB -0.166 30.156 30.300 0.036 0.000 0.965 47 R HN 0.399 nan 8.270 nan 0.000 0.428 48 P HA 0.027 nan 4.420 nan 0.000 0.269 48 P C -0.871 176.454 177.300 0.041 0.000 1.215 48 P CA 0.129 63.249 63.100 0.034 0.000 0.780 48 P CB 0.801 32.550 31.700 0.082 0.000 0.898 49 E N 2.294 122.508 120.200 0.024 0.000 2.244 49 E HA 0.470 4.820 4.350 -0.000 0.000 0.266 49 E C -2.344 174.282 176.600 0.043 0.000 0.914 49 E CA -2.450 53.972 56.400 0.036 0.000 0.794 49 E CB 0.793 30.508 29.700 0.024 0.000 1.210 49 E HN 0.312 nan 8.360 nan 0.000 0.414 50 P HA 0.004 nan 4.420 nan 0.000 0.269 50 P C -1.023 176.323 177.300 0.076 0.000 1.209 50 P CA -0.285 62.878 63.100 0.105 0.000 0.776 50 P CB 0.431 32.200 31.700 0.115 0.000 0.876 51 K N 3.470 123.925 120.400 0.091 0.000 2.401 51 K HA 0.044 4.364 4.320 -0.000 0.000 0.278 51 K C 0.268 176.944 176.600 0.127 0.000 1.018 51 K CA 0.081 56.414 56.287 0.077 0.000 0.981 51 K CB 0.089 32.658 32.500 0.116 0.000 0.933 51 K HN 0.377 nan 8.250 nan 0.000 0.477 52 K N 4.271 124.746 120.400 0.124 0.000 2.185 52 K HA 0.338 4.658 4.320 -0.000 0.000 0.271 52 K C -2.336 174.367 176.600 0.170 0.000 1.013 52 K CA -1.865 54.493 56.287 0.118 0.000 0.943 52 K CB 0.309 32.863 32.500 0.090 0.000 0.998 52 K HN 0.328 nan 8.250 nan 0.000 0.468 53 P HA -0.069 nan 4.420 nan 0.000 0.264 53 P C -1.124 176.249 177.300 0.122 0.000 1.183 53 P CA 0.134 63.208 63.100 -0.043 0.000 0.763 53 P CB 0.133 31.768 31.700 -0.108 0.000 0.807 54 W N 2.064 123.445 121.300 0.134 0.000 2.576 54 W HA 0.700 5.360 4.660 -0.000 0.000 0.360 54 W C -0.523 176.076 176.519 0.133 0.000 1.109 54 W CA -0.844 56.600 57.345 0.166 0.000 1.237 54 W CB 0.189 29.825 29.460 0.293 0.000 1.369 54 W HN 0.380 nan 8.180 nan 0.000 0.609 55 S N 1.232 117.148 115.700 0.360 0.000 2.681 55 S HA 0.867 5.337 4.470 -0.000 0.000 0.299 55 S C 0.454 175.243 174.600 0.315 0.000 1.113 55 S CA -0.101 58.220 58.200 0.202 0.000 1.013 55 S CB 0.949 64.226 63.200 0.127 0.000 1.076 55 S HN 2.155 nan 8.310 nan 0.000 0.534 56 G N -0.175 108.749 108.800 0.207 0.000 2.601 56 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.252 56 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.252 56 G C -0.766 174.342 174.900 0.346 0.000 1.294 56 G CA -0.224 45.004 45.100 0.214 0.000 0.912 56 G HN 1.711 nan 8.290 nan 0.000 0.574 57 V N 0.330 120.420 119.914 0.294 0.000 2.407 57 V HA 0.466 4.586 4.120 -0.000 0.000 0.291 57 V C 0.158 176.422 176.094 0.284 0.000 1.018 57 V CA -0.553 61.947 62.300 0.333 0.000 0.842 57 V CB 1.773 33.710 31.823 0.190 0.000 0.996 57 V HN 0.721 nan 8.190 nan 0.000 0.426 58 W N 5.453 126.887 121.300 0.223 0.000 2.368 58 W HA 0.190 4.850 4.660 -0.000 0.000 0.316 58 W C 0.290 176.811 176.519 0.003 0.000 1.375 58 W CA -0.208 57.085 57.345 -0.086 0.000 1.261 58 W CB 0.787 30.033 29.460 -0.357 0.000 1.298 58 W HN 0.633 nan 8.180 nan 0.000 0.539 59 N N 4.659 123.216 118.700 -0.238 0.000 2.405 59 N HA 0.177 4.917 4.740 -0.000 0.000 0.260 59 N C -0.458 175.083 175.510 0.052 0.000 1.152 59 N CA 0.295 53.283 53.050 -0.103 0.000 0.948 59 N CB 0.996 39.353 38.487 -0.216 0.000 1.111 59 N HN 0.394 nan 8.380 nan 0.000 0.485 60 A N 2.749 125.678 122.820 0.181 0.000 3.041 60 A HA 0.181 4.501 4.320 -0.000 0.000 0.307 60 A C 1.027 178.609 177.584 -0.004 0.000 1.116 60 A CA -0.410 51.748 52.037 0.202 0.000 1.001 60 A CB -0.421 18.780 19.000 0.334 0.000 1.112 60 A HN 0.629 nan 8.150 nan 0.000 0.556 61 S N -0.833 114.832 115.700 -0.059 0.000 2.524 61 S HA 0.171 4.641 4.470 -0.000 0.000 0.215 61 S C 0.792 175.291 174.600 -0.168 0.000 0.986 61 S CA 0.689 58.808 58.200 -0.135 0.000 0.911 61 S CB -0.254 62.874 63.200 -0.119 0.000 0.805 61 S HN 0.909 nan 8.310 nan 0.000 0.501 62 T N -1.318 113.157 114.554 -0.131 0.000 2.896 62 T HA 0.640 4.990 4.350 -0.000 0.000 0.297 62 T C -0.944 173.723 174.700 -0.055 0.000 1.108 62 T CA -0.761 61.256 62.100 -0.139 0.000 1.004 62 T CB 0.748 69.559 68.868 -0.096 0.000 1.159 62 T HN 0.051 nan 8.240 nan 0.000 0.499 63 Y N 2.496 122.754 120.300 -0.069 0.000 2.457 63 Y HA 0.385 4.935 4.550 -0.000 0.000 0.341 63 Y C -1.481 174.349 175.900 -0.117 0.000 1.240 63 Y CA -1.503 56.559 58.100 -0.064 0.000 1.437 63 Y CB 0.189 38.628 38.460 -0.035 0.000 1.328 63 Y HN 0.551 nan 8.280 nan 0.000 0.588 64 P HA 0.095 nan 4.420 nan 0.000 0.282 64 P C -0.725 176.489 177.300 -0.142 0.000 1.287 64 P CA -0.532 62.440 63.100 -0.215 0.000 0.792 64 P CB 0.752 32.233 31.700 -0.366 0.000 1.163 65 N N 0.236 118.820 118.700 -0.193 0.000 2.416 65 N HA 0.064 4.804 4.740 -0.000 0.000 0.246 65 N C 0.078 175.546 175.510 -0.070 0.000 1.260 65 N CA 0.394 53.376 53.050 -0.114 0.000 0.897 65 N CB -0.376 38.052 38.487 -0.098 0.000 1.110 65 N HN 0.406 nan 8.380 nan 0.000 0.439 66 N N -0.682 117.969 118.700 -0.082 0.000 2.489 66 N HA 0.325 5.065 4.740 -0.000 0.000 0.284 66 N C -0.449 175.011 175.510 -0.082 0.000 1.158 66 N CA -0.677 52.319 53.050 -0.089 0.000 0.965 66 N CB 0.994 39.401 38.487 -0.134 0.000 1.195 66 N HN 0.397 nan 8.380 nan 0.000 0.506 67 c N 1.084 119.635 118.600 -0.082 0.000 2.656 67 c HA 0.090 4.660 4.570 -0.000 0.000 0.391 67 c C 0.575 174.585 174.090 -0.133 0.000 1.300 67 c CA -0.629 55.640 56.329 -0.099 0.000 2.302 67 c CB 0.082 42.558 42.510 -0.057 0.000 2.655 67 c HN 0.533 nan 8.230 nan 0.000 0.656 68 Q N 2.340 122.001 119.800 -0.233 0.000 2.337 68 Q HA 0.260 4.600 4.340 -0.000 0.000 0.270 68 Q C -0.141 175.840 176.000 -0.032 0.000 1.002 68 Q CA 0.831 56.501 55.803 -0.222 0.000 0.888 68 Q CB 0.644 29.081 28.738 -0.502 0.000 1.222 68 Q HN 0.877 nan 8.270 nan 0.000 0.400 69 Q N 1.161 121.001 119.800 0.067 0.000 2.578 69 Q HA 0.247 4.587 4.340 -0.000 0.000 0.284 69 Q C -1.507 174.648 176.000 0.259 0.000 0.960 69 Q CA -0.946 54.967 55.803 0.183 0.000 0.809 69 Q CB 0.636 29.419 28.738 0.075 0.000 1.462 69 Q HN 0.544 nan 8.270 nan 0.000 0.392 70 Y N 1.704 122.186 120.300 0.303 0.000 2.605 70 Y HA 0.305 4.855 4.550 -0.000 0.000 0.336 70 Y C -0.810 175.277 175.900 0.312 0.000 1.111 70 Y CA 0.132 58.453 58.100 0.369 0.000 1.422 70 Y CB 0.740 39.557 38.460 0.596 0.000 1.193 70 Y HN 0.455 nan 8.280 nan 0.000 0.526 71 V N 6.968 126.810 119.914 -0.120 0.000 2.432 71 V HA 0.054 4.173 4.120 -0.000 0.000 0.275 71 V C -0.167 175.833 176.094 -0.157 0.000 1.043 71 V CA -0.764 61.498 62.300 -0.064 0.000 0.925 71 V CB 1.213 32.989 31.823 -0.078 0.000 0.985 71 V HN 0.742 nan 8.190 nan 0.000 0.466 72 D N 3.955 124.426 120.400 0.119 0.000 2.343 72 D HA 0.124 4.764 4.640 -0.000 0.000 0.255 72 D C 0.464 176.834 176.300 0.117 0.000 1.187 72 D CA 0.158 54.289 54.000 0.219 0.000 0.875 72 D CB 0.935 41.931 40.800 0.327 0.000 1.136 72 D HN 0.675 nan 8.370 nan 0.000 0.469 73 E N 2.457 122.696 120.200 0.065 0.000 2.734 73 E HA -0.020 4.330 4.350 -0.000 0.000 0.211 73 E C 0.774 177.359 176.600 -0.024 0.000 0.991 73 E CA -0.148 56.268 56.400 0.025 0.000 1.065 73 E CB 0.679 30.366 29.700 -0.020 0.000 1.047 73 E HN 0.421 nan 8.360 nan 0.000 0.470 74 Q N 0.114 119.872 119.800 -0.072 0.000 2.084 74 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 74 Q C -0.139 175.479 176.000 -0.636 0.000 0.978 74 Q CA 1.451 56.982 55.803 -0.452 0.000 0.844 74 Q CB 0.183 28.441 28.738 -0.800 0.000 0.898 74 Q HN 0.130 nan 8.270 nan 0.000 0.426 75 F N 1.328 121.338 119.950 0.099 0.000 2.531 75 F HA 0.410 4.937 4.527 -0.000 0.000 0.333 75 F C -2.213 173.667 175.800 0.134 0.000 1.292 75 F CA -3.287 54.764 58.000 0.086 0.000 1.184 75 F CB 0.922 39.994 39.000 0.120 0.000 1.426 75 F HN -0.045 nan 8.300 nan 0.000 0.559 76 P HA 0.126 nan 4.420 nan 0.000 0.264 76 P C 1.054 178.444 177.300 0.150 0.000 1.193 76 P CA 0.902 64.088 63.100 0.143 0.000 0.763 76 P CB 0.898 32.642 31.700 0.074 0.000 0.810 77 G N 2.251 111.120 108.800 0.115 0.000 2.196 77 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.268 77 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.268 77 G C -0.061 174.902 174.900 0.104 0.000 0.975 77 G CA -0.137 45.009 45.100 0.077 0.000 0.648 77 G HN 0.556 nan 8.290 nan 0.000 0.538 78 F N 2.708 122.658 119.950 0.000 0.000 2.467 78 F HA 0.506 5.033 4.527 -0.000 0.000 0.362 78 F C 1.652 177.392 175.800 -0.100 0.000 1.090 78 F CA -0.352 57.601 58.000 -0.079 0.000 1.202 78 F CB 1.094 40.043 39.000 -0.085 0.000 1.113 78 F HN 0.188 nan 8.300 nan 0.000 0.541 79 S N 3.212 118.432 115.700 -0.800 0.000 2.402 79 S HA -0.072 4.398 4.470 -0.000 0.000 0.229 79 S C 2.157 176.357 174.600 -0.668 0.000 1.021 79 S CA 0.805 58.645 58.200 -0.599 0.000 0.974 79 S CB -1.123 61.763 63.200 -0.524 0.000 0.800 79 S HN 0.813 nan 8.310 nan 0.000 0.484 80 G N 1.708 109.745 108.800 -1.272 0.000 2.432 80 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.219 80 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.219 80 G C 1.720 176.809 174.900 0.316 0.000 1.135 80 G CA 1.225 45.940 45.100 -0.641 0.000 0.767 80 G HN 0.775 nan 8.290 nan 0.000 0.550 81 S N -0.157 115.755 115.700 0.352 0.000 2.468 81 S HA 0.126 4.596 4.470 -0.000 0.000 0.226 81 S C 1.849 176.637 174.600 0.313 0.000 1.051 81 S CA 0.862 59.441 58.200 0.632 0.000 0.943 81 S CB 0.013 63.711 63.200 0.829 0.000 0.810 81 S HN 0.339 nan 8.310 nan 0.000 0.509 82 E N 1.870 122.136 120.200 0.110 0.000 2.265 82 E HA -0.070 4.280 4.350 -0.000 0.000 0.196 82 E C 2.049 178.558 176.600 -0.152 0.000 0.996 82 E CA 1.320 57.717 56.400 -0.005 0.000 0.832 82 E CB -0.489 29.202 29.700 -0.016 0.000 0.756 82 E HN 0.862 nan 8.360 nan 0.000 0.491 83 M N -1.896 117.519 119.600 -0.308 0.000 2.358 83 M HA -0.104 4.376 4.480 -0.000 0.000 0.264 83 M C 1.028 176.874 176.300 -0.758 0.000 1.064 83 M CA 1.418 56.360 55.300 -0.596 0.000 1.093 83 M CB -0.322 31.811 32.600 -0.778 0.000 1.401 83 M HN 0.047 nan 8.290 nan 0.000 0.440 84 W N 0.866 122.053 121.300 -0.189 0.000 2.996 84 W HA 0.271 4.931 4.660 -0.000 0.000 0.270 84 W C 0.534 176.939 176.519 -0.190 0.000 1.280 84 W CA -0.883 56.329 57.345 -0.223 0.000 1.549 84 W CB -0.145 29.192 29.460 -0.206 0.000 1.079 84 W HN 0.097 nan 8.180 nan 0.000 0.629 85 N N 1.612 120.324 118.700 0.019 0.000 2.467 85 N HA 0.128 4.868 4.740 -0.000 0.000 0.262 85 N C -2.464 172.988 175.510 -0.098 0.000 1.234 85 N CA -1.404 51.636 53.050 -0.017 0.000 0.952 85 N CB -0.202 38.289 38.487 0.006 0.000 1.158 85 N HN -0.341 nan 8.380 nan 0.000 0.463 86 P HA 0.033 nan 4.420 nan 0.000 0.262 86 P C 0.210 177.438 177.300 -0.121 0.000 1.182 86 P CA 0.055 63.077 63.100 -0.129 0.000 0.761 86 P CB 0.250 31.886 31.700 -0.106 0.000 0.795 87 N N 2.504 121.116 118.700 -0.146 0.000 2.214 87 N HA 0.069 4.809 4.740 -0.000 0.000 0.214 87 N C 0.215 175.667 175.510 -0.097 0.000 1.132 87 N CA 0.024 53.000 53.050 -0.123 0.000 0.856 87 N CB 0.363 38.762 38.487 -0.147 0.000 1.020 87 N HN 0.188 nan 8.380 nan 0.000 0.509 88 R N -0.191 120.249 120.500 -0.100 0.000 2.922 88 R HA 0.335 4.675 4.340 -0.000 0.000 0.256 88 R C -0.631 175.623 176.300 -0.077 0.000 1.138 88 R CA -0.745 55.309 56.100 -0.077 0.000 0.995 88 R CB 0.569 30.820 30.300 -0.081 0.000 1.226 88 R HN 0.031 nan 8.270 nan 0.000 0.481 89 E N 1.317 121.476 120.200 -0.069 0.000 2.413 89 E HA 0.059 4.409 4.350 -0.000 0.000 0.263 89 E C -0.315 176.238 176.600 -0.078 0.000 1.015 89 E CA 0.415 56.774 56.400 -0.069 0.000 0.916 89 E CB 0.466 30.128 29.700 -0.063 0.000 0.947 89 E HN 0.277 nan 8.360 nan 0.000 0.440 90 M N 2.289 121.842 119.600 -0.078 0.000 2.211 90 M HA 0.199 4.679 4.480 -0.000 0.000 0.356 90 M C 0.030 176.273 176.300 -0.096 0.000 1.216 90 M CA 0.169 55.416 55.300 -0.090 0.000 1.134 90 M CB 1.038 33.587 32.600 -0.087 0.000 1.564 90 M HN 0.408 nan 8.290 nan 0.000 0.463 91 S N 1.361 116.995 115.700 -0.110 0.000 2.547 91 S HA 0.259 4.729 4.470 -0.000 0.000 0.270 91 S C 0.161 174.667 174.600 -0.156 0.000 1.150 91 S CA -0.747 57.383 58.200 -0.117 0.000 0.850 91 S CB 1.546 64.702 63.200 -0.073 0.000 1.118 91 S HN 0.826 nan 8.310 nan 0.000 0.461 92 E N 0.756 120.840 120.200 -0.194 0.000 2.204 92 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 92 E C -0.257 176.272 176.600 -0.119 0.000 0.989 92 E CA 0.625 56.890 56.400 -0.225 0.000 0.824 92 E CB 0.053 29.605 29.700 -0.246 0.000 0.756 92 E HN 0.574 nan 8.360 nan 0.000 0.477 93 D N 0.390 120.756 120.400 -0.056 0.000 2.498 93 D HA -0.030 4.610 4.640 -0.000 0.000 0.229 93 D C 0.026 176.417 176.300 0.153 0.000 1.188 93 D CA -0.145 53.870 54.000 0.025 0.000 1.028 93 D CB -0.214 40.619 40.800 0.056 0.000 1.087 93 D HN 0.147 nan 8.370 nan 0.000 0.510 94 c N 2.206 120.859 118.600 0.089 0.000 3.626 94 c HA 0.412 4.982 4.570 -0.000 0.000 0.276 94 c C 0.451 174.630 174.090 0.148 0.000 1.694 94 c CA -0.724 55.710 56.329 0.176 0.000 1.785 94 c CB -1.267 41.267 42.510 0.040 0.000 3.152 94 c HN 0.389 nan 8.230 nan 0.000 0.571 95 L N 2.505 123.579 121.223 -0.249 0.000 2.397 95 L HA 0.511 4.851 4.340 -0.000 0.000 0.263 95 L C -0.963 175.209 176.870 -1.163 0.000 1.136 95 L CA 0.186 54.622 54.840 -0.674 0.000 1.019 95 L CB -0.290 41.223 42.059 -0.909 0.000 1.352 95 L HN 0.364 nan 8.230 nan 0.000 0.420 96 Y N 2.113 122.318 120.300 -0.158 0.000 2.638 96 Y HA 0.696 5.246 4.550 -0.000 0.000 0.339 96 Y C -0.249 175.799 175.900 0.247 0.000 1.084 96 Y CA -1.189 56.891 58.100 -0.033 0.000 1.068 96 Y CB 2.029 40.462 38.460 -0.045 0.000 1.294 96 Y HN 0.200 nan 8.280 nan 0.000 0.480 97 L N -0.386 120.981 121.223 0.241 0.000 2.376 97 L HA 0.765 5.105 4.340 -0.000 0.000 0.258 97 L C -1.463 175.435 176.870 0.047 0.000 1.013 97 L CA -1.062 53.854 54.840 0.127 0.000 0.822 97 L CB 2.009 44.035 42.059 -0.054 0.000 1.388 97 L HN 0.464 nan 8.230 nan 0.000 0.413 98 N N 1.535 120.278 118.700 0.072 0.000 2.269 98 N HA 0.750 5.490 4.740 -0.000 0.000 0.304 98 N C -1.341 174.109 175.510 -0.101 0.000 1.072 98 N CA -0.271 52.743 53.050 -0.060 0.000 0.802 98 N CB 2.779 41.247 38.487 -0.032 0.000 1.348 98 N HN 0.644 nan 8.380 nan 0.000 0.484 99 I N 0.364 120.776 120.570 -0.263 0.000 2.533 99 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 99 I C -0.851 175.222 176.117 -0.073 0.000 1.056 99 I CA -0.716 60.553 61.300 -0.051 0.000 1.057 99 I CB 2.366 40.257 38.000 -0.181 0.000 1.240 99 I HN 0.261 nan 8.210 nan 0.000 0.423 100 W N 5.708 127.137 121.300 0.215 0.000 2.417 100 W HA 0.548 5.208 4.660 -0.000 0.000 0.315 100 W C -1.001 175.653 176.519 0.226 0.000 1.045 100 W CA -0.697 56.775 57.345 0.211 0.000 1.221 100 W CB 2.138 31.691 29.460 0.155 0.000 1.309 100 W HN 0.088 nan 8.180 nan 0.000 0.453 101 V N 5.304 125.491 119.914 0.455 0.000 2.417 101 V HA 0.257 4.377 4.120 -0.000 0.000 0.291 101 V C -1.903 174.382 176.094 0.318 0.000 1.024 101 V CA -2.295 60.233 62.300 0.381 0.000 0.861 101 V CB 1.644 33.742 31.823 0.460 0.000 0.985 101 V HN 0.243 nan 8.190 nan 0.000 0.436 102 P HA 0.068 nan 4.420 nan 0.000 0.267 102 P C -0.480 176.948 177.300 0.214 0.000 1.201 102 P CA 0.269 63.506 63.100 0.229 0.000 0.775 102 P CB 0.504 32.302 31.700 0.164 0.000 0.854 103 S N 1.721 117.546 115.700 0.209 0.000 2.552 103 S HA 0.590 5.060 4.470 -0.000 0.000 0.314 103 S C -2.475 172.219 174.600 0.157 0.000 1.099 103 S CA -1.530 56.775 58.200 0.175 0.000 1.070 103 S CB -0.073 63.228 63.200 0.170 0.000 0.998 103 S HN 0.190 nan 8.310 nan 0.000 0.474 104 P HA 0.302 nan 4.420 nan 0.000 0.276 104 P C -0.573 176.800 177.300 0.122 0.000 1.252 104 P CA -0.713 62.456 63.100 0.115 0.000 0.802 104 P CB 0.406 32.158 31.700 0.088 0.000 1.035 105 R N 2.054 122.630 120.500 0.127 0.000 2.504 105 R HA 0.079 4.419 4.340 -0.000 0.000 0.291 105 R C -1.794 174.566 176.300 0.100 0.000 0.974 105 R CA -0.798 55.381 56.100 0.132 0.000 1.077 105 R CB -0.348 30.032 30.300 0.132 0.000 0.926 105 R HN 0.422 nan 8.270 nan 0.000 0.407 106 P HA 0.141 nan 4.420 nan 0.000 0.277 106 P C -0.481 176.854 177.300 0.059 0.000 1.271 106 P CA -0.385 62.757 63.100 0.071 0.000 0.795 106 P CB 1.017 32.758 31.700 0.069 0.000 1.101 107 K N -0.461 119.962 120.400 0.039 0.000 2.121 107 K HA 0.092 4.412 4.320 -0.000 0.000 0.203 107 K C 0.560 177.169 176.600 0.015 0.000 1.041 107 K CA 0.978 57.281 56.287 0.026 0.000 0.969 107 K CB 0.022 32.533 32.500 0.017 0.000 0.799 107 K HN 0.480 nan 8.250 nan 0.000 0.456 108 S N 0.992 116.699 115.700 0.011 0.000 2.479 108 S HA 0.120 4.590 4.470 -0.000 0.000 0.169 108 S C -0.969 173.633 174.600 0.002 0.000 1.181 108 S CA -0.638 57.561 58.200 -0.002 0.000 1.169 108 S CB 0.933 64.121 63.200 -0.020 0.000 1.384 108 S HN 0.094 nan 8.310 nan 0.000 0.412 109 T N 2.241 116.806 114.554 0.018 0.000 2.948 109 T HA 0.575 4.925 4.350 -0.000 0.000 0.285 109 T C 0.202 174.913 174.700 0.018 0.000 1.019 109 T CA -0.018 62.093 62.100 0.018 0.000 1.013 109 T CB 1.249 70.135 68.868 0.030 0.000 1.117 109 T HN 0.570 nan 8.240 nan 0.000 0.533 110 T N 2.456 117.014 114.554 0.007 0.000 2.933 110 T HA 0.280 4.630 4.350 -0.000 0.000 0.306 110 T C -0.236 174.482 174.700 0.031 0.000 1.045 110 T CA -0.079 62.023 62.100 0.003 0.000 1.143 110 T CB 0.075 68.930 68.868 -0.022 0.000 1.003 110 T HN 0.397 nan 8.240 nan 0.000 0.540 111 V N 5.178 125.118 119.914 0.044 0.000 2.667 111 V HA 0.565 4.685 4.120 -0.000 0.000 0.308 111 V C 0.003 176.151 176.094 0.089 0.000 1.048 111 V CA -0.852 61.498 62.300 0.083 0.000 0.928 111 V CB 1.866 33.746 31.823 0.096 0.000 1.004 111 V HN 0.826 nan 8.190 nan 0.000 0.444 112 M N 3.683 123.363 119.600 0.132 0.000 2.259 112 M HA 0.584 5.064 4.480 -0.000 0.000 0.304 112 M C -1.413 175.125 176.300 0.397 0.000 1.019 112 M CA -0.610 54.786 55.300 0.160 0.000 0.922 112 M CB 2.316 34.854 32.600 -0.104 0.000 1.600 112 M HN 0.357 nan 8.290 nan 0.000 0.433 113 V N 2.669 122.869 119.914 0.477 0.000 2.409 113 V HA 0.381 4.501 4.120 -0.000 0.000 0.291 113 V C -0.937 175.472 176.094 0.525 0.000 1.020 113 V CA -0.622 61.944 62.300 0.444 0.000 0.848 113 V CB 1.772 33.728 31.823 0.223 0.000 0.990 113 V HN 0.884 nan 8.190 nan 0.000 0.430 114 W N 6.716 128.116 121.300 0.166 0.000 2.351 114 W HA 0.630 5.290 4.660 -0.000 0.000 0.311 114 W C -1.314 175.109 176.519 -0.161 0.000 1.168 114 W CA -0.791 56.390 57.345 -0.273 0.000 1.200 114 W CB 1.200 30.536 29.460 -0.207 0.000 1.221 114 W HN 0.446 nan 8.180 nan 0.000 0.519 115 I N 9.036 129.021 120.570 -0.975 0.000 2.382 115 I HA 0.061 4.231 4.170 -0.000 0.000 0.285 115 I C -0.247 175.129 176.117 -1.236 0.000 1.007 115 I CA -1.144 59.641 61.300 -0.859 0.000 1.142 115 I CB 0.624 38.286 38.000 -0.563 0.000 1.289 115 I HN 0.313 nan 8.210 nan 0.000 0.453 116 Y N 4.667 124.517 120.300 -0.750 0.000 2.578 116 Y HA 0.573 5.123 4.550 -0.000 0.000 0.339 116 Y C 0.776 176.538 175.900 -0.230 0.000 1.231 116 Y CA -0.783 57.012 58.100 -0.508 0.000 1.461 116 Y CB -0.096 38.298 38.460 -0.111 0.000 1.323 116 Y HN 0.563 nan 8.280 nan 0.000 0.590 117 G N -0.003 108.831 108.800 0.057 0.000 2.509 117 G HA2 0.472 4.432 3.960 -0.000 0.000 0.269 117 G HA3 0.472 4.432 3.960 -0.000 0.000 0.269 117 G C 0.331 175.249 174.900 0.029 0.000 1.416 117 G CA -0.854 44.249 45.100 0.007 0.000 1.052 117 G HN 1.814 nan 8.290 nan 0.000 0.542 118 G N -2.792 105.887 108.800 -0.202 0.000 2.338 118 G HA2 0.402 4.362 3.960 -0.000 0.000 0.115 118 G HA3 0.402 4.362 3.960 -0.000 0.000 0.115 118 G C 1.051 175.609 174.900 -0.569 0.000 1.053 118 G CA 0.634 45.513 45.100 -0.368 0.000 0.733 118 G HN 2.358 nan 8.290 nan 0.000 0.482 119 G N -0.611 107.801 108.800 -0.646 0.000 2.187 119 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.261 119 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.261 119 G C 0.971 175.638 174.900 -0.389 0.000 1.000 119 G CA 0.934 45.381 45.100 -1.088 0.000 0.718 119 G HN 1.890 nan 8.290 nan 0.000 0.519 120 F N -3.469 116.423 119.950 -0.097 0.000 2.825 120 F HA -0.331 4.196 4.527 -0.000 0.000 0.358 120 F C 1.495 177.393 175.800 0.164 0.000 0.639 120 F CA 2.274 60.310 58.000 0.060 0.000 1.153 120 F CB -2.053 36.839 39.000 -0.180 0.000 1.610 120 F HN 0.902 nan 8.300 nan 0.000 0.305 121 Y N -0.627 119.744 120.300 0.118 0.000 2.430 121 Y HA 0.632 5.182 4.550 -0.000 0.000 0.248 121 Y C 0.662 176.648 175.900 0.144 0.000 1.108 121 Y CA 0.364 58.549 58.100 0.141 0.000 1.264 121 Y CB 0.131 38.593 38.460 0.002 0.000 1.172 121 Y HN 0.096 nan 8.280 nan 0.000 0.520 122 S N -0.669 114.637 115.700 -0.656 0.000 2.656 122 S HA 0.894 5.364 4.470 -0.000 0.000 0.273 122 S C -0.245 174.146 174.600 -0.348 0.000 1.168 122 S CA -0.450 57.441 58.200 -0.516 0.000 0.817 122 S CB 1.531 64.263 63.200 -0.780 0.000 1.146 122 S HN 1.308 nan 8.310 nan 0.000 0.475 123 G N -0.228 108.342 108.800 -0.384 0.000 2.362 123 G HA2 0.422 4.382 3.960 -0.000 0.000 0.656 123 G HA3 0.422 4.382 3.960 -0.000 0.000 0.656 123 G C -1.043 173.205 174.900 -1.087 0.000 1.376 123 G CA -0.299 44.431 45.100 -0.615 0.000 0.971 123 G HN 1.385 nan 8.290 nan 0.000 0.636 124 S N -1.354 113.666 115.700 -1.133 0.000 2.556 124 S HA 0.697 5.167 4.470 -0.000 0.000 0.271 124 S C 0.988 175.404 174.600 -0.306 0.000 1.135 124 S CA 0.181 57.938 58.200 -0.739 0.000 0.858 124 S CB 1.772 64.757 63.200 -0.357 0.000 1.114 124 S HN 1.954 nan 8.310 nan 0.000 0.468 125 S N -0.146 115.575 115.700 0.035 0.000 2.527 125 S HA -0.045 4.425 4.470 -0.000 0.000 0.222 125 S C 1.312 175.995 174.600 0.139 0.000 0.985 125 S CA 0.935 59.337 58.200 0.336 0.000 0.921 125 S CB -0.565 62.856 63.200 0.368 0.000 0.772 125 S HN 0.839 nan 8.310 nan 0.000 0.529 126 T N -0.241 114.196 114.554 -0.194 0.000 3.054 126 T HA 0.415 4.765 4.350 -0.000 0.000 0.255 126 T C 0.594 174.964 174.700 -0.551 0.000 1.035 126 T CA -0.550 61.120 62.100 -0.715 0.000 0.941 126 T CB -0.498 67.876 68.868 -0.823 0.000 1.026 126 T HN 0.293 nan 8.240 nan 0.000 0.533 127 L N 2.143 123.137 121.223 -0.382 0.000 2.516 127 L HA 0.088 4.428 4.340 -0.000 0.000 0.288 127 L C 1.363 177.984 176.870 -0.415 0.000 1.246 127 L CA -0.278 54.266 54.840 -0.494 0.000 0.844 127 L CB 0.256 41.797 42.059 -0.864 0.000 1.106 127 L HN 0.075 nan 8.230 nan 0.000 0.509 128 D N 0.782 120.965 120.400 -0.361 0.000 2.182 128 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 128 D C 1.929 178.027 176.300 -0.336 0.000 0.986 128 D CA 1.208 55.064 54.000 -0.239 0.000 0.847 128 D CB -0.047 40.623 40.800 -0.216 0.000 0.942 128 D HN 0.507 nan 8.370 nan 0.000 0.467 129 V N -1.327 118.227 119.914 -0.599 0.000 2.970 129 V HA -0.129 3.991 4.120 -0.000 0.000 0.260 129 V C 1.194 176.828 176.094 -0.767 0.000 1.100 129 V CA 0.950 62.861 62.300 -0.649 0.000 1.122 129 V CB -1.016 30.316 31.823 -0.819 0.000 0.721 129 V HN 0.075 nan 8.190 nan 0.000 0.483 130 Y N 0.278 120.110 120.300 -0.781 0.000 2.524 130 Y HA 0.421 4.971 4.550 -0.000 0.000 0.266 130 Y C 1.098 176.606 175.900 -0.652 0.000 1.180 130 Y CA -1.791 55.553 58.100 -1.260 0.000 1.244 130 Y CB -1.060 36.951 38.460 -0.748 0.000 1.125 130 Y HN 0.284 nan 8.280 nan 0.000 0.524 131 N N 1.493 120.063 118.700 -0.216 0.000 2.414 131 N HA -0.026 4.714 4.740 -0.000 0.000 0.268 131 N C 1.336 176.601 175.510 -0.408 0.000 1.286 131 N CA 0.742 53.698 53.050 -0.157 0.000 0.896 131 N CB 1.156 39.638 38.487 -0.009 0.000 1.093 131 N HN 0.437 nan 8.380 nan 0.000 0.480 132 G N 3.445 111.448 108.800 -1.328 0.000 2.744 132 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.211 132 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.211 132 G C 1.351 175.653 174.900 -0.997 0.000 1.143 132 G CA 0.423 44.834 45.100 -1.149 0.000 0.788 132 G HN 0.780 nan 8.290 nan 0.000 0.534 133 K N -0.286 119.434 120.400 -1.133 0.000 2.147 133 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 133 K C 1.795 178.200 176.600 -0.325 0.000 1.049 133 K CA 1.049 56.977 56.287 -0.599 0.000 0.936 133 K CB -0.571 31.642 32.500 -0.479 0.000 0.722 133 K HN 0.399 nan 8.250 nan 0.000 0.446 134 Y N 1.019 121.258 120.300 -0.102 0.000 2.181 134 Y HA -0.160 4.390 4.550 -0.000 0.000 0.288 134 Y C 2.386 178.279 175.900 -0.011 0.000 1.146 134 Y CA 0.499 58.590 58.100 -0.015 0.000 1.164 134 Y CB -0.262 38.166 38.460 -0.053 0.000 0.982 134 Y HN 0.030 nan 8.280 nan 0.000 0.515 135 L N 0.135 121.373 121.223 0.024 0.000 2.131 135 L HA 0.049 4.389 4.340 -0.000 0.000 0.206 135 L C 2.322 179.177 176.870 -0.026 0.000 1.087 135 L CA 1.651 56.456 54.840 -0.057 0.000 0.767 135 L CB -1.109 40.828 42.059 -0.204 0.000 0.917 135 L HN 0.131 nan 8.230 nan 0.000 0.441 136 A N -1.225 121.595 122.820 -0.000 0.000 1.877 136 A HA -0.290 4.030 4.320 -0.000 0.000 0.216 136 A C 2.346 179.999 177.584 0.115 0.000 1.186 136 A CA 1.874 53.959 52.037 0.079 0.000 0.620 136 A CB -1.191 17.908 19.000 0.166 0.000 0.822 136 A HN 0.616 nan 8.150 nan 0.000 0.443 137 Y N 0.811 121.121 120.300 0.017 0.000 2.200 137 Y HA -0.167 4.383 4.550 -0.000 0.000 0.290 137 Y C 2.550 178.465 175.900 0.025 0.000 1.137 137 Y CA 2.227 60.347 58.100 0.033 0.000 1.163 137 Y CB -0.221 38.254 38.460 0.024 0.000 0.988 137 Y HN 0.300 nan 8.280 nan 0.000 0.518 138 T N -0.103 114.397 114.554 -0.091 0.000 2.896 138 T HA -0.062 4.288 4.350 -0.000 0.000 0.263 138 T C 1.221 175.818 174.700 -0.171 0.000 1.050 138 T CA 1.313 63.299 62.100 -0.190 0.000 1.140 138 T CB -0.015 68.839 68.868 -0.023 0.000 0.877 138 T HN 0.280 nan 8.240 nan 0.000 0.457 139 E N 0.388 120.517 120.200 -0.118 0.000 2.498 139 E HA 0.110 4.460 4.350 -0.000 0.000 0.203 139 E C 0.133 176.668 176.600 -0.108 0.000 1.013 139 E CA 0.050 56.370 56.400 -0.133 0.000 0.927 139 E CB 0.343 29.956 29.700 -0.144 0.000 1.012 139 E HN 0.184 nan 8.360 nan 0.000 0.482 140 E N 0.179 120.331 120.200 -0.080 0.000 2.416 140 E HA -0.139 4.211 4.350 -0.000 0.000 0.249 140 E C -0.387 176.213 176.600 0.001 0.000 1.124 140 E CA 0.572 56.952 56.400 -0.034 0.000 0.732 140 E CB -2.037 27.636 29.700 -0.045 0.000 1.286 140 E HN 0.179 nan 8.360 nan 0.000 0.394 141 V N -3.769 116.156 119.914 0.019 0.000 3.019 141 V HA 0.750 4.870 4.120 -0.000 0.000 0.317 141 V C 0.641 176.801 176.094 0.110 0.000 1.094 141 V CA -1.038 61.287 62.300 0.042 0.000 1.000 141 V CB 2.415 34.243 31.823 0.009 0.000 1.060 141 V HN -0.099 nan 8.190 nan 0.000 0.443 142 V N 3.022 123.013 119.914 0.129 0.000 2.385 142 V HA 0.392 4.512 4.120 -0.000 0.000 0.269 142 V C -0.096 176.128 176.094 0.216 0.000 1.043 142 V CA -0.074 62.340 62.300 0.189 0.000 0.906 142 V CB 0.909 32.833 31.823 0.167 0.000 0.995 142 V HN 0.766 nan 8.190 nan 0.000 0.467 143 L N 6.756 128.163 121.223 0.308 0.000 2.298 143 L HA 0.648 4.988 4.340 -0.000 0.000 0.284 143 L C -0.712 176.466 176.870 0.513 0.000 1.013 143 L CA -0.259 54.806 54.840 0.375 0.000 0.824 143 L CB 1.575 43.836 42.059 0.336 0.000 1.221 143 L HN 0.416 nan 8.230 nan 0.000 0.418 144 V N 3.117 123.299 119.914 0.447 0.000 2.513 144 V HA 0.558 4.678 4.120 -0.000 0.000 0.299 144 V C -0.175 176.208 176.094 0.481 0.000 1.035 144 V CA -0.531 62.009 62.300 0.400 0.000 0.889 144 V CB 1.998 33.974 31.823 0.255 0.000 0.988 144 V HN 0.841 nan 8.190 nan 0.000 0.440 145 S N 4.941 120.935 115.700 0.489 0.000 2.478 145 S HA 0.803 5.273 4.470 -0.000 0.000 0.312 145 S C -0.700 174.081 174.600 0.302 0.000 1.094 145 S CA -0.796 57.694 58.200 0.483 0.000 1.081 145 S CB 1.501 65.079 63.200 0.631 0.000 1.007 145 S HN 0.674 nan 8.310 nan 0.000 0.475 146 L N 0.941 122.278 121.223 0.189 0.000 2.569 146 L HA 0.981 5.320 4.340 -0.000 0.000 0.247 146 L C 0.105 177.110 176.870 0.225 0.000 1.135 146 L CA -0.576 54.325 54.840 0.102 0.000 0.812 146 L CB 0.021 42.017 42.059 -0.106 0.000 1.431 146 L HN 0.880 nan 8.230 nan 0.000 0.499 147 S N -1.571 114.318 115.700 0.314 0.000 2.618 147 S HA 0.874 5.344 4.470 -0.000 0.000 0.277 147 S C -1.290 173.568 174.600 0.431 0.000 1.138 147 S CA -0.504 57.920 58.200 0.373 0.000 0.844 147 S CB 1.470 64.930 63.200 0.434 0.000 1.127 147 S HN 1.299 nan 8.310 nan 0.000 0.474 148 Y N -1.585 118.842 120.300 0.212 0.000 2.565 148 Y HA 0.668 5.218 4.550 -0.000 0.000 0.330 148 Y C -0.838 175.198 175.900 0.227 0.000 1.150 148 Y CA -1.324 56.886 58.100 0.184 0.000 1.055 148 Y CB 0.755 39.269 38.460 0.091 0.000 1.337 148 Y HN 0.786 nan 8.280 nan 0.000 0.457 149 R N 2.197 122.813 120.500 0.192 0.000 2.570 149 R HA 0.477 4.817 4.340 -0.000 0.000 0.277 149 R C -0.072 176.375 176.300 0.245 0.000 1.039 149 R CA 0.013 56.192 56.100 0.132 0.000 1.065 149 R CB 0.730 31.086 30.300 0.093 0.000 0.964 149 R HN 0.687 nan 8.270 nan 0.000 0.428 150 V N 0.022 120.089 119.914 0.255 0.000 3.234 150 V HA 0.875 4.995 4.120 -0.000 0.000 0.317 150 V C 0.843 177.236 176.094 0.498 0.000 1.147 150 V CA -0.152 62.412 62.300 0.440 0.000 1.037 150 V CB 1.109 33.080 31.823 0.246 0.000 1.148 150 V HN 0.982 nan 8.190 nan 0.000 0.455 151 G N 0.463 109.591 108.800 0.547 0.000 2.575 151 G HA2 0.006 3.966 3.960 -0.000 0.000 0.267 151 G HA3 0.006 3.966 3.960 -0.000 0.000 0.267 151 G C 0.988 176.051 174.900 0.272 0.000 1.264 151 G CA 0.933 46.303 45.100 0.449 0.000 0.935 151 G HN 2.158 nan 8.290 nan 0.000 0.568 152 A N -1.410 121.273 122.820 -0.228 0.000 1.972 152 A HA 0.288 4.608 4.320 -0.000 0.000 0.219 152 A C 2.198 179.609 177.584 -0.289 0.000 1.169 152 A CA 2.397 53.994 52.037 -0.732 0.000 0.635 152 A CB -0.465 17.876 19.000 -1.099 0.000 0.810 152 A HN 0.935 nan 8.150 nan 0.000 0.446 153 F N 0.020 120.006 119.950 0.060 0.000 2.307 153 F HA -0.012 4.515 4.527 -0.000 0.000 0.301 153 F C 2.287 178.069 175.800 -0.030 0.000 1.076 153 F CA 1.115 59.098 58.000 -0.028 0.000 1.383 153 F CB -0.432 38.523 39.000 -0.075 0.000 1.055 153 F HN 0.301 nan 8.300 nan 0.000 0.526 154 G N -2.694 106.155 108.800 0.082 0.000 2.727 154 G HA2 0.090 4.050 3.960 -0.000 0.000 0.207 154 G HA3 0.090 4.050 3.960 -0.000 0.000 0.207 154 G C 0.713 175.123 174.900 -0.816 0.000 1.060 154 G CA 0.038 44.943 45.100 -0.326 0.000 0.814 154 G HN 0.293 nan 8.290 nan 0.000 0.576 155 F N 0.106 120.146 119.950 0.150 0.000 2.772 155 F HA 0.455 4.982 4.527 -0.000 0.000 0.316 155 F C 0.326 176.204 175.800 0.131 0.000 1.114 155 F CA -0.924 57.152 58.000 0.128 0.000 1.191 155 F CB 0.623 39.709 39.000 0.143 0.000 1.065 155 F HN -0.070 nan 8.300 nan 0.000 0.534 156 L N 2.292 123.559 121.223 0.074 0.000 2.534 156 L HA 0.472 4.812 4.340 -0.000 0.000 0.271 156 L C 0.160 177.023 176.870 -0.013 0.000 1.178 156 L CA 0.183 54.972 54.840 -0.086 0.000 0.907 156 L CB 0.175 41.914 42.059 -0.534 0.000 1.164 156 L HN 0.150 nan 8.230 nan 0.000 0.482 157 A N 6.968 129.830 122.820 0.070 0.000 2.311 157 A HA 0.635 4.955 4.320 -0.000 0.000 0.306 157 A C -0.733 176.875 177.584 0.039 0.000 1.189 157 A CA -0.483 51.595 52.037 0.067 0.000 0.791 157 A CB 0.575 19.648 19.000 0.122 0.000 1.172 157 A HN 0.734 nan 8.150 nan 0.000 0.481 158 L N 3.524 124.757 121.223 0.017 0.000 2.502 158 L HA 0.242 4.582 4.340 -0.000 0.000 0.247 158 L C 0.110 177.024 176.870 0.074 0.000 1.180 158 L CA -0.550 54.304 54.840 0.023 0.000 0.956 158 L CB 0.369 42.410 42.059 -0.031 0.000 1.282 158 L HN 0.938 nan 8.230 nan 0.000 0.470 159 H N 1.396 120.470 119.070 0.007 0.000 3.001 159 H HA 0.262 4.818 4.556 -0.000 0.000 0.334 159 H C 1.252 176.587 175.328 0.011 0.000 1.034 159 H CA 1.895 57.953 56.048 0.017 0.000 1.420 159 H CB 0.845 30.621 29.762 0.023 0.000 1.405 159 H HN 0.673 nan 8.280 nan 0.000 0.593 160 G N 2.614 111.341 108.800 -0.122 0.000 2.308 160 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.221 160 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.221 160 G C 0.443 175.315 174.900 -0.048 0.000 1.032 160 G CA 0.196 45.270 45.100 -0.042 0.000 0.623 160 G HN 0.866 nan 8.290 nan 0.000 0.506 161 S N 0.320 116.000 115.700 -0.034 0.000 2.584 161 S HA 0.551 5.021 4.470 -0.000 0.000 0.273 161 S C 1.184 175.761 174.600 -0.039 0.000 1.311 161 S CA 0.290 58.473 58.200 -0.028 0.000 1.034 161 S CB 1.286 64.477 63.200 -0.016 0.000 0.939 161 S HN 0.262 nan 8.310 nan 0.000 0.513 162 Q N 1.858 121.645 119.800 -0.022 0.000 2.356 162 Q HA 0.172 4.512 4.340 -0.000 0.000 0.205 162 Q C 1.074 177.078 176.000 0.008 0.000 0.901 162 Q CA 0.340 56.135 55.803 -0.014 0.000 0.938 162 Q CB 0.170 28.901 28.738 -0.011 0.000 1.081 162 Q HN 0.706 nan 8.270 nan 0.000 0.517 163 E N 0.408 120.618 120.200 0.016 0.000 2.230 163 E HA 0.092 4.442 4.350 -0.000 0.000 0.192 163 E C 0.217 176.862 176.600 0.075 0.000 0.987 163 E CA 0.505 56.933 56.400 0.047 0.000 0.841 163 E CB 0.590 30.320 29.700 0.051 0.000 0.783 163 E HN 0.130 nan 8.360 nan 0.000 0.481 164 A N 1.515 124.354 122.820 0.030 0.000 3.453 164 A HA 0.271 4.591 4.320 -0.000 0.000 0.262 164 A C -2.071 175.507 177.584 -0.010 0.000 1.026 164 A CA -0.786 51.256 52.037 0.009 0.000 0.938 164 A CB 0.521 19.453 19.000 -0.114 0.000 1.246 164 A HN -0.111 nan 8.150 nan 0.000 0.546 165 P HA 0.127 nan 4.420 nan 0.000 0.223 165 P C 0.898 178.216 177.300 0.031 0.000 1.151 165 P CA 1.882 64.978 63.100 -0.006 0.000 0.787 165 P CB 0.144 31.835 31.700 -0.015 0.000 0.788 166 G N 0.368 109.188 108.800 0.035 0.000 2.663 166 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.686 166 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.686 166 G C -0.146 174.772 174.900 0.030 0.000 1.246 166 G CA -0.304 44.839 45.100 0.071 0.000 0.795 166 G HN 0.093 nan 8.290 nan 0.000 0.627 167 N N -2.362 116.367 118.700 0.048 0.000 2.909 167 N HA -0.276 4.464 4.740 -0.000 0.000 0.242 167 N C 1.900 177.271 175.510 -0.232 0.000 0.975 167 N CA 2.523 55.537 53.050 -0.062 0.000 0.921 167 N CB -1.658 36.740 38.487 -0.149 0.000 1.112 167 N HN 1.909 nan 8.380 nan 0.000 0.581 168 V N -2.824 116.936 119.914 -0.256 0.000 2.759 168 V HA 0.048 4.168 4.120 -0.000 0.000 0.256 168 V C 2.242 178.204 176.094 -0.221 0.000 1.080 168 V CA 2.250 64.444 62.300 -0.177 0.000 1.101 168 V CB -0.799 30.968 31.823 -0.093 0.000 0.698 168 V HN 0.285 nan 8.190 nan 0.000 0.477 169 G N 0.373 108.847 108.800 -0.543 0.000 2.403 169 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.216 169 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.216 169 G C 1.516 176.422 174.900 0.010 0.000 1.154 169 G CA 0.932 45.882 45.100 -0.252 0.000 0.784 169 G HN 0.520 nan 8.290 nan 0.000 0.538 170 L N -0.049 121.135 121.223 -0.065 0.000 2.083 170 L HA 0.024 4.364 4.340 -0.000 0.000 0.209 170 L C 2.796 179.700 176.870 0.057 0.000 1.083 170 L CA 0.582 55.346 54.840 -0.126 0.000 0.752 170 L CB -0.299 41.345 42.059 -0.691 0.000 0.899 170 L HN 0.177 nan 8.230 nan 0.000 0.433 171 L N -0.773 120.478 121.223 0.045 0.000 2.217 171 L HA -0.169 4.170 4.340 -0.000 0.000 0.211 171 L C 2.158 179.123 176.870 0.159 0.000 1.107 171 L CA 0.599 55.539 54.840 0.168 0.000 0.783 171 L CB -0.664 41.471 42.059 0.127 0.000 0.919 171 L HN 0.265 nan 8.230 nan 0.000 0.442 172 D N 0.189 120.683 120.400 0.157 0.000 2.116 172 D HA -0.234 4.406 4.640 -0.000 0.000 0.193 172 D C 2.215 178.633 176.300 0.197 0.000 0.998 172 D CA 1.258 55.429 54.000 0.284 0.000 0.836 172 D CB -0.240 40.768 40.800 0.346 0.000 0.951 172 D HN 0.397 nan 8.370 nan 0.000 0.449 173 Q N 0.045 119.907 119.800 0.102 0.000 2.061 173 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 173 Q C 2.352 178.274 176.000 -0.130 0.000 0.984 173 Q CA 1.189 56.961 55.803 -0.052 0.000 0.846 173 Q CB -0.074 28.657 28.738 -0.013 0.000 0.902 173 Q HN 0.212 nan 8.270 nan 0.000 0.421 174 R N 0.375 120.872 120.500 -0.005 0.000 2.075 174 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 174 R C 2.218 178.505 176.300 -0.022 0.000 1.126 174 R CA 1.334 57.409 56.100 -0.041 0.000 0.963 174 R CB -0.163 30.216 30.300 0.133 0.000 0.858 174 R HN 0.254 nan 8.270 nan 0.000 0.435 175 M N 0.103 119.732 119.600 0.049 0.000 2.159 175 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 175 M C 2.094 178.370 176.300 -0.039 0.000 1.063 175 M CA 1.957 57.317 55.300 0.100 0.000 1.110 175 M CB -0.031 32.735 32.600 0.278 0.000 1.374 175 M HN 0.317 nan 8.290 nan 0.000 0.411 176 A N 0.334 122.876 122.820 -0.462 0.000 1.902 176 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 176 A C 1.979 179.440 177.584 -0.205 0.000 1.181 176 A CA 1.472 53.024 52.037 -0.808 0.000 0.623 176 A CB -1.022 17.150 19.000 -1.381 0.000 0.818 176 A HN 0.570 nan 8.150 nan 0.000 0.443 177 L N -0.978 120.155 121.223 -0.151 0.000 2.042 177 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 177 L C 2.860 179.767 176.870 0.061 0.000 1.076 177 L CA 1.901 56.720 54.840 -0.035 0.000 0.749 177 L CB -0.566 41.433 42.059 -0.099 0.000 0.893 177 L HN 0.502 nan 8.230 nan 0.000 0.432 178 Q N -0.482 119.351 119.800 0.055 0.000 2.119 178 Q HA -0.248 4.091 4.340 -0.000 0.000 0.201 178 Q C 1.995 178.099 176.000 0.174 0.000 0.972 178 Q CA 1.749 57.602 55.803 0.084 0.000 0.847 178 Q CB -0.418 28.360 28.738 0.067 0.000 0.903 178 Q HN 0.509 nan 8.270 nan 0.000 0.433 179 W N -0.856 120.459 121.300 0.025 0.000 2.381 179 W HA -0.107 4.553 4.660 -0.000 0.000 0.301 179 W C 1.690 178.244 176.519 0.058 0.000 1.205 179 W CA 1.406 58.789 57.345 0.063 0.000 1.285 179 W CB -0.056 29.443 29.460 0.064 0.000 1.133 179 W HN -0.013 nan 8.180 nan 0.000 0.521 180 V N 0.322 120.449 119.914 0.355 0.000 2.287 180 V HA -0.395 3.725 4.120 -0.000 0.000 0.248 180 V C 2.564 178.673 176.094 0.025 0.000 1.053 180 V CA 2.389 64.810 62.300 0.202 0.000 1.027 180 V CB -1.385 30.562 31.823 0.206 0.000 0.646 180 V HN 0.374 nan 8.190 nan 0.000 0.447 181 H N 0.134 119.183 119.070 -0.036 0.000 2.387 181 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 181 H C 1.815 177.048 175.328 -0.159 0.000 1.099 181 H CA 1.986 57.988 56.048 -0.076 0.000 1.315 181 H CB 0.112 29.850 29.762 -0.041 0.000 1.380 181 H HN 0.449 nan 8.280 nan 0.000 0.513 182 D N -0.492 119.829 120.400 -0.131 0.000 2.271 182 D HA -0.028 4.612 4.640 -0.000 0.000 0.206 182 D C 1.344 177.370 176.300 -0.456 0.000 0.967 182 D CA 0.368 54.211 54.000 -0.262 0.000 0.867 182 D CB 0.090 40.795 40.800 -0.158 0.000 0.960 182 D HN 0.410 nan 8.370 nan 0.000 0.509 183 N N -0.026 118.316 118.700 -0.597 0.000 2.257 183 N HA 0.040 4.780 4.740 -0.000 0.000 0.200 183 N C 1.524 176.806 175.510 -0.380 0.000 1.163 183 N CA -0.130 52.547 53.050 -0.622 0.000 0.891 183 N CB 1.107 38.789 38.487 -1.343 0.000 1.067 183 N HN 0.034 nan 8.380 nan 0.000 0.497 184 I N 2.981 123.393 120.570 -0.264 0.000 2.493 184 I HA -0.217 3.953 4.170 -0.000 0.000 0.254 184 I C 2.488 178.564 176.117 -0.068 0.000 1.160 184 I CA 1.204 62.503 61.300 -0.001 0.000 1.445 184 I CB -0.158 37.849 38.000 0.011 0.000 1.086 184 I HN 0.168 nan 8.210 nan 0.000 0.433 185 Q N -0.638 118.936 119.800 -0.377 0.000 2.234 185 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 185 Q C 1.732 177.552 176.000 -0.300 0.000 0.980 185 Q CA 1.684 57.262 55.803 -0.375 0.000 0.869 185 Q CB -0.856 27.588 28.738 -0.489 0.000 0.912 185 Q HN 0.428 nan 8.270 nan 0.000 0.436 186 F N -0.408 119.488 119.950 -0.090 0.000 2.661 186 F HA 0.137 4.664 4.527 -0.000 0.000 0.298 186 F C 0.823 176.387 175.800 -0.394 0.000 1.137 186 F CA 0.106 57.950 58.000 -0.261 0.000 1.454 186 F CB -0.078 38.682 39.000 -0.401 0.000 1.103 186 F HN -0.014 nan 8.300 nan 0.000 0.577 187 F N -0.583 119.379 119.950 0.020 0.000 2.654 187 F HA 0.451 4.978 4.527 -0.000 0.000 0.303 187 F C 1.629 177.445 175.800 0.026 0.000 1.099 187 F CA 0.045 58.037 58.000 -0.013 0.000 1.270 187 F CB 0.151 39.109 39.000 -0.070 0.000 1.024 187 F HN 0.019 nan 8.300 nan 0.000 0.548 188 G N 0.553 109.432 108.800 0.132 0.000 2.136 188 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.242 188 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.242 188 G C 0.530 175.477 174.900 0.080 0.000 0.989 188 G CA -0.164 44.992 45.100 0.093 0.000 0.682 188 G HN 0.734 nan 8.290 nan 0.000 0.522 189 G N -0.662 108.183 108.800 0.075 0.000 2.412 189 G HA2 0.513 4.473 3.960 -0.000 0.000 0.318 189 G HA3 0.513 4.473 3.960 -0.000 0.000 0.318 189 G C -0.763 174.128 174.900 -0.015 0.000 1.146 189 G CA 0.135 45.261 45.100 0.045 0.000 0.882 189 G HN 0.251 nan 8.290 nan 0.000 0.501 190 D N 1.541 121.931 120.400 -0.017 0.000 2.347 190 D HA 0.257 4.897 4.640 -0.000 0.000 0.235 190 D C -0.947 175.323 176.300 -0.048 0.000 1.149 190 D CA -2.375 51.598 54.000 -0.046 0.000 0.850 190 D CB 1.879 42.660 40.800 -0.031 0.000 1.061 190 D HN 0.076 nan 8.370 nan 0.000 0.487 191 P HA -0.111 nan 4.420 nan 0.000 0.228 191 P C 0.561 177.844 177.300 -0.028 0.000 1.151 191 P CA 0.707 63.757 63.100 -0.085 0.000 0.770 191 P CB 0.336 31.887 31.700 -0.248 0.000 0.786 192 K N -0.773 119.603 120.400 -0.040 0.000 2.459 192 K HA 0.078 4.398 4.320 -0.000 0.000 0.193 192 K C 0.320 176.914 176.600 -0.009 0.000 1.030 192 K CA 0.694 56.971 56.287 -0.018 0.000 1.026 192 K CB 0.029 32.509 32.500 -0.033 0.000 0.809 192 K HN 0.040 nan 8.250 nan 0.000 0.504 193 T N 0.881 115.433 114.554 -0.002 0.000 3.624 193 T HA 0.115 4.465 4.350 -0.000 0.000 0.244 193 T C -0.915 173.800 174.700 0.025 0.000 1.063 193 T CA -0.384 61.713 62.100 -0.004 0.000 1.252 193 T CB 0.677 69.533 68.868 -0.021 0.000 1.021 193 T HN -0.054 nan 8.240 nan 0.000 0.590 194 V N 1.201 121.154 119.914 0.066 0.000 2.427 194 V HA 0.712 4.832 4.120 -0.000 0.000 0.286 194 V C -0.372 175.821 176.094 0.165 0.000 1.034 194 V CA 0.063 62.432 62.300 0.115 0.000 0.893 194 V CB 1.527 33.435 31.823 0.143 0.000 0.982 194 V HN 0.397 nan 8.190 nan 0.000 0.452 195 T N 8.473 123.114 114.554 0.145 0.000 2.794 195 T HA 0.553 4.903 4.350 -0.000 0.000 0.280 195 T C -0.067 174.763 174.700 0.215 0.000 0.987 195 T CA -0.161 62.047 62.100 0.180 0.000 0.993 195 T CB 0.866 69.790 68.868 0.093 0.000 0.939 195 T HN 0.849 nan 8.240 nan 0.000 0.449 196 I N 1.757 122.432 120.570 0.176 0.000 2.385 196 I HA 0.822 4.992 4.170 -0.000 0.000 0.294 196 I C -0.795 175.504 176.117 0.304 0.000 0.988 196 I CA -0.930 60.459 61.300 0.149 0.000 1.265 196 I CB 0.707 38.575 38.000 -0.219 0.000 1.388 196 I HN 0.479 nan 8.210 nan 0.000 0.480 197 F N 3.353 123.349 119.950 0.076 0.000 2.588 197 F HA 1.014 5.541 4.527 -0.000 0.000 0.310 197 F C -0.360 175.413 175.800 -0.045 0.000 1.082 197 F CA -1.230 56.850 58.000 0.133 0.000 0.929 197 F CB 1.396 40.601 39.000 0.342 0.000 1.254 197 F HN 0.828 nan 8.300 nan 0.000 0.455 198 G N 1.198 109.896 108.800 -0.169 0.000 2.576 198 G HA2 0.487 4.447 3.960 -0.000 0.000 0.290 198 G HA3 0.487 4.447 3.960 -0.000 0.000 0.290 198 G C -2.516 172.235 174.900 -0.247 0.000 1.442 198 G CA -0.814 43.840 45.100 -0.744 0.000 0.792 198 G HN 0.868 nan 8.290 nan 0.000 0.491 199 E N 0.120 120.152 120.200 -0.281 0.000 2.256 199 E HA 0.621 4.971 4.350 -0.000 0.000 0.267 199 E C 0.692 177.323 176.600 0.051 0.000 0.892 199 E CA 0.274 56.727 56.400 0.087 0.000 0.775 199 E CB 2.165 32.067 29.700 0.336 0.000 1.207 199 E HN 0.812 nan 8.360 nan 0.000 0.420 200 S N 2.594 118.419 115.700 0.209 0.000 4.150 200 S HA -0.396 4.074 4.470 -0.000 0.000 0.575 200 S C 1.433 176.178 174.600 0.242 0.000 1.878 200 S CA 2.144 60.536 58.200 0.320 0.000 4.245 200 S CB -1.627 61.680 63.200 0.178 0.000 0.231 200 S HN 0.912 nan 8.310 nan 0.000 0.469 201 A N 1.325 124.166 122.820 0.034 0.000 2.067 201 A HA 0.270 4.590 4.320 -0.000 0.000 0.219 201 A C 2.419 179.794 177.584 -0.347 0.000 1.158 201 A CA 2.135 54.020 52.037 -0.253 0.000 0.661 201 A CB -1.456 17.037 19.000 -0.845 0.000 0.801 201 A HN 1.463 nan 8.150 nan 0.000 0.452 202 G N -0.112 108.533 108.800 -0.259 0.000 2.433 202 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.216 202 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.216 202 G C 1.561 176.308 174.900 -0.255 0.000 1.186 202 G CA 1.197 46.091 45.100 -0.343 0.000 0.779 202 G HN 0.649 nan 8.290 nan 0.000 0.543 203 G N 1.141 109.859 108.800 -0.137 0.000 2.440 203 G HA2 0.011 3.971 3.960 -0.000 0.000 0.218 203 G HA3 0.011 3.971 3.960 -0.000 0.000 0.218 203 G C 2.085 176.905 174.900 -0.134 0.000 1.154 203 G CA 1.659 46.708 45.100 -0.085 0.000 0.767 203 G HN 0.684 nan 8.290 nan 0.000 0.552 204 A N 0.777 123.543 122.820 -0.090 0.000 1.908 204 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 204 A C 2.704 180.216 177.584 -0.119 0.000 1.181 204 A CA 2.344 54.294 52.037 -0.145 0.000 0.627 204 A CB -0.783 18.158 19.000 -0.098 0.000 0.818 204 A HN 0.321 nan 8.150 nan 0.000 0.445 205 S N -0.597 115.049 115.700 -0.090 0.000 2.365 205 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 205 S C 1.906 176.390 174.600 -0.194 0.000 1.039 205 S CA 1.601 59.717 58.200 -0.140 0.000 1.033 205 S CB -0.583 62.486 63.200 -0.219 0.000 0.887 205 S HN 0.360 nan 8.310 nan 0.000 0.447 206 V N 1.310 121.131 119.914 -0.155 0.000 2.295 206 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 206 V C 2.565 178.583 176.094 -0.127 0.000 1.049 206 V CA 1.998 64.219 62.300 -0.131 0.000 1.024 206 V CB -1.355 30.390 31.823 -0.130 0.000 0.648 206 V HN 0.611 nan 8.190 nan 0.000 0.447 207 G N -1.241 107.443 108.800 -0.194 0.000 2.443 207 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 207 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 207 G C 1.571 176.443 174.900 -0.046 0.000 1.131 207 G CA 0.684 45.654 45.100 -0.216 0.000 0.775 207 G HN 0.450 nan 8.290 nan 0.000 0.547 208 M N -0.140 119.439 119.600 -0.034 0.000 2.319 208 M HA 0.051 4.531 4.480 -0.000 0.000 0.265 208 M C 2.183 178.570 176.300 0.145 0.000 1.068 208 M CA 0.739 56.158 55.300 0.197 0.000 1.118 208 M CB -0.122 32.626 32.600 0.248 0.000 1.395 208 M HN 0.180 nan 8.290 nan 0.000 0.435 209 H N -0.252 118.930 119.070 0.186 0.000 2.436 209 H HA 0.049 4.605 4.556 -0.000 0.000 0.294 209 H C 2.123 177.643 175.328 0.320 0.000 1.048 209 H CA 1.248 57.397 56.048 0.167 0.000 1.353 209 H CB -0.188 29.564 29.762 -0.017 0.000 1.414 209 H HN 0.392 nan 8.280 nan 0.000 0.536 210 I N 0.490 121.317 120.570 0.429 0.000 2.226 210 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 210 I C 2.280 178.624 176.117 0.377 0.000 1.100 210 I CA 0.925 62.520 61.300 0.491 0.000 1.374 210 I CB -0.101 38.126 38.000 0.379 0.000 1.057 210 I HN 0.107 nan 8.210 nan 0.000 0.413 211 L N -0.444 120.967 121.223 0.314 0.000 2.044 211 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 211 L C 1.548 178.537 176.870 0.199 0.000 1.075 211 L CA 0.477 55.508 54.840 0.319 0.000 0.747 211 L CB -0.291 41.984 42.059 0.360 0.000 0.903 211 L HN 0.115 nan 8.230 nan 0.000 0.435 212 S N -0.162 115.575 115.700 0.062 0.000 2.481 212 S HA 0.125 4.595 4.470 -0.000 0.000 0.276 212 S C -1.511 172.971 174.600 -0.196 0.000 1.247 212 S CA -1.454 56.590 58.200 -0.260 0.000 1.053 212 S CB 0.939 63.576 63.200 -0.938 0.000 0.925 212 S HN -0.094 nan 8.310 nan 0.000 0.491 213 P HA -0.055 nan 4.420 nan 0.000 0.216 213 P C 1.479 178.695 177.300 -0.139 0.000 1.153 213 P CA 1.281 64.314 63.100 -0.111 0.000 0.858 213 P CB -0.192 31.450 31.700 -0.095 0.000 0.789 214 G N -1.382 107.285 108.800 -0.221 0.000 2.535 214 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 214 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 214 G C 1.430 176.244 174.900 -0.143 0.000 1.122 214 G CA 0.638 45.623 45.100 -0.191 0.000 0.769 214 G HN 0.245 nan 8.290 nan 0.000 0.549 215 S N -0.820 114.815 115.700 -0.109 0.000 2.505 215 S HA 0.146 4.616 4.470 -0.000 0.000 0.216 215 S C 2.189 176.864 174.600 0.125 0.000 1.018 215 S CA -0.452 57.780 58.200 0.053 0.000 0.911 215 S CB 0.275 63.626 63.200 0.252 0.000 0.818 215 S HN 0.343 nan 8.310 nan 0.000 0.497 216 R N 1.784 122.299 120.500 0.026 0.000 2.105 216 R HA -0.057 4.283 4.340 -0.000 0.000 0.239 216 R C 0.712 176.834 176.300 -0.298 0.000 1.135 216 R CA 1.434 57.476 56.100 -0.097 0.000 0.967 216 R CB -0.241 30.018 30.300 -0.068 0.000 0.861 216 R HN 0.296 nan 8.270 nan 0.000 0.442 217 D N 0.284 120.575 120.400 -0.182 0.000 2.349 217 D HA 0.002 4.642 4.640 -0.000 0.000 0.224 217 D C 1.017 177.209 176.300 -0.179 0.000 1.029 217 D CA 0.589 54.475 54.000 -0.190 0.000 0.879 217 D CB 0.324 41.036 40.800 -0.147 0.000 0.906 217 D HN 0.241 nan 8.370 nan 0.000 0.528 218 L N 0.079 121.232 121.223 -0.115 0.000 2.653 218 L HA 0.193 4.533 4.340 -0.000 0.000 0.231 218 L C -0.168 176.813 176.870 0.184 0.000 1.153 218 L CA -0.183 54.653 54.840 -0.007 0.000 0.933 218 L CB -0.211 41.854 42.059 0.009 0.000 1.175 218 L HN -0.096 nan 8.230 nan 0.000 0.473 219 F N -4.258 115.696 119.950 0.006 0.000 2.713 219 F HA 0.567 5.093 4.527 -0.000 0.000 0.311 219 F C 0.366 176.192 175.800 0.043 0.000 1.141 219 F CA -1.322 56.699 58.000 0.034 0.000 0.939 219 F CB 1.169 40.193 39.000 0.039 0.000 1.325 219 F HN -0.372 nan 8.300 nan 0.000 0.453 220 R N 0.806 121.349 120.500 0.072 0.000 2.146 220 R HA 0.453 4.793 4.340 -0.000 0.000 0.206 220 R C -0.069 176.266 176.300 0.058 0.000 1.049 220 R CA 1.287 57.378 56.100 -0.014 0.000 1.029 220 R CB 0.260 30.568 30.300 0.014 0.000 0.949 220 R HN 0.876 nan 8.270 nan 0.000 0.471 221 R N -2.289 118.366 120.500 0.259 0.000 2.826 221 R HA 0.744 5.084 4.340 -0.000 0.000 0.269 221 R C -1.711 174.849 176.300 0.434 0.000 1.031 221 R CA -0.694 55.595 56.100 0.315 0.000 0.900 221 R CB 0.636 30.988 30.300 0.087 0.000 1.318 221 R HN 0.005 nan 8.270 nan 0.000 0.447 222 A N 0.665 123.734 122.820 0.415 0.000 2.547 222 A HA 0.718 5.038 4.320 -0.000 0.000 0.297 222 A C -1.346 176.343 177.584 0.176 0.000 1.056 222 A CA -0.796 51.402 52.037 0.268 0.000 0.688 222 A CB 1.615 20.736 19.000 0.202 0.000 1.282 222 A HN 0.574 nan 8.150 nan 0.000 0.400 223 I N 1.955 122.585 120.570 0.100 0.000 2.478 223 I HA 0.367 4.537 4.170 -0.000 0.000 0.287 223 I C -1.491 174.675 176.117 0.082 0.000 1.042 223 I CA -0.575 60.711 61.300 -0.024 0.000 1.067 223 I CB 1.945 39.908 38.000 -0.062 0.000 1.233 223 I HN 0.475 nan 8.210 nan 0.000 0.431 224 L N 6.710 127.953 121.223 0.032 0.000 2.305 224 L HA 0.446 4.786 4.340 -0.000 0.000 0.284 224 L C -0.461 176.500 176.870 0.152 0.000 1.013 224 L CA -0.205 54.663 54.840 0.048 0.000 0.819 224 L CB 1.513 43.535 42.059 -0.062 0.000 1.227 224 L HN 0.485 nan 8.230 nan 0.000 0.417 225 Q N 1.928 121.876 119.800 0.247 0.000 2.348 225 Q HA 0.446 4.786 4.340 -0.000 0.000 0.265 225 Q C 0.015 176.191 176.000 0.294 0.000 0.998 225 Q CA -0.589 55.440 55.803 0.376 0.000 0.831 225 Q CB 1.564 30.633 28.738 0.552 0.000 1.251 225 Q HN 0.648 nan 8.270 nan 0.000 0.456 226 S N 0.915 116.764 115.700 0.248 0.000 3.549 226 S HA -0.180 4.290 4.470 -0.000 0.000 0.366 226 S C 0.101 174.848 174.600 0.245 0.000 1.012 226 S CA 0.557 58.899 58.200 0.236 0.000 1.141 226 S CB -1.255 62.162 63.200 0.361 0.000 0.910 226 S HN 0.968 nan 8.310 nan 0.000 0.471 227 G N -0.506 108.380 108.800 0.144 0.000 2.616 227 G HA2 0.672 4.632 3.960 -0.000 0.000 0.294 227 G HA3 0.672 4.632 3.960 -0.000 0.000 0.294 227 G C -0.974 173.866 174.900 -0.099 0.000 1.489 227 G CA 0.089 45.269 45.100 0.132 0.000 0.836 227 G HN 1.151 nan 8.290 nan 0.000 0.527 228 S N 0.418 115.965 115.700 -0.255 0.000 2.588 228 S HA 0.754 5.224 4.470 -0.000 0.000 0.269 228 S C -2.458 171.850 174.600 -0.486 0.000 1.157 228 S CA -1.024 56.897 58.200 -0.465 0.000 0.824 228 S CB 2.740 65.648 63.200 -0.487 0.000 1.126 228 S HN 0.424 nan 8.310 nan 0.000 0.464 229 P HA -0.049 nan 4.420 nan 0.000 0.221 229 P C 0.559 177.631 177.300 -0.381 0.000 1.150 229 P CA 1.116 63.987 63.100 -0.382 0.000 0.800 229 P CB -0.289 31.236 31.700 -0.291 0.000 0.787 230 N N -0.770 117.731 118.700 -0.331 0.000 2.322 230 N HA -0.015 4.725 4.740 -0.000 0.000 0.194 230 N C 0.040 175.316 175.510 -0.389 0.000 1.126 230 N CA -0.197 52.691 53.050 -0.271 0.000 0.845 230 N CB -1.311 37.136 38.487 -0.066 0.000 0.976 230 N HN -0.001 nan 8.380 nan 0.000 0.475 231 C N 2.753 121.696 119.300 -0.595 0.000 2.634 231 C HA 0.072 4.532 4.460 -0.000 0.000 0.417 231 C C -0.326 174.176 174.990 -0.813 0.000 1.334 231 C CA -0.834 57.667 59.018 -0.863 0.000 1.829 231 C CB 0.964 27.810 27.740 -1.490 0.000 2.665 231 C HN 0.357 nan 8.230 nan 0.000 0.614 232 P HA -0.092 nan 4.420 nan 0.000 0.222 232 P C 1.213 178.334 177.300 -0.297 0.000 1.147 232 P CA 1.642 64.487 63.100 -0.424 0.000 0.790 232 P CB -0.114 31.339 31.700 -0.413 0.000 0.780 233 W N -1.343 119.825 121.300 -0.219 0.000 3.197 233 W HA 0.568 5.228 4.660 -0.000 0.000 0.274 233 W C 0.929 177.509 176.519 0.103 0.000 1.297 233 W CA 0.345 57.664 57.345 -0.044 0.000 1.662 233 W CB -0.963 28.521 29.460 0.040 0.000 1.106 233 W HN -0.115 nan 8.180 nan 0.000 0.663 234 A N 1.282 123.833 122.820 -0.448 0.000 2.195 234 A HA 0.232 4.552 4.320 -0.000 0.000 0.210 234 A C 0.936 178.364 177.584 -0.260 0.000 1.165 234 A CA 0.937 52.782 52.037 -0.319 0.000 0.806 234 A CB -0.466 18.063 19.000 -0.784 0.000 0.847 234 A HN 0.193 nan 8.150 nan 0.000 0.482 235 S N -1.442 114.101 115.700 -0.263 0.000 2.596 235 S HA 0.668 5.138 4.470 -0.000 0.000 0.270 235 S C -0.829 173.659 174.600 -0.187 0.000 1.155 235 S CA -0.056 57.983 58.200 -0.267 0.000 0.827 235 S CB 1.378 64.367 63.200 -0.352 0.000 1.130 235 S HN 1.338 nan 8.310 nan 0.000 0.467 236 V N -0.837 118.986 119.914 -0.153 0.000 3.078 236 V HA 0.923 5.043 4.120 -0.000 0.000 0.311 236 V C 0.184 176.224 176.094 -0.091 0.000 1.138 236 V CA -0.401 61.831 62.300 -0.114 0.000 1.007 236 V CB 1.216 32.980 31.823 -0.098 0.000 1.045 236 V HN 1.543 nan 8.190 nan 0.000 0.432 237 S N 1.464 117.116 115.700 -0.079 0.000 2.580 237 S HA 0.211 4.681 4.470 -0.000 0.000 0.266 237 S C 1.399 175.969 174.600 -0.050 0.000 1.354 237 S CA 0.075 58.236 58.200 -0.065 0.000 1.008 237 S CB 1.162 64.325 63.200 -0.062 0.000 0.898 237 S HN 2.205 nan 8.310 nan 0.000 0.555 238 V N -0.716 119.163 119.914 -0.059 0.000 2.490 238 V HA -0.038 4.082 4.120 -0.000 0.000 0.250 238 V C 2.518 178.584 176.094 -0.046 0.000 1.061 238 V CA 1.795 64.061 62.300 -0.056 0.000 1.064 238 V CB -2.020 29.684 31.823 -0.198 0.000 0.670 238 V HN 1.027 nan 8.190 nan 0.000 0.461 239 A N 0.611 123.396 122.820 -0.059 0.000 1.898 239 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 239 A C 2.217 179.773 177.584 -0.046 0.000 1.181 239 A CA 1.974 53.982 52.037 -0.047 0.000 0.620 239 A CB -0.630 18.341 19.000 -0.048 0.000 0.819 239 A HN 0.653 nan 8.150 nan 0.000 0.442 240 E N 0.026 120.192 120.200 -0.057 0.000 2.107 240 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 240 E C 1.961 178.519 176.600 -0.070 0.000 0.982 240 E CA 1.405 57.760 56.400 -0.076 0.000 0.809 240 E CB -0.778 28.868 29.700 -0.090 0.000 0.756 240 E HN 0.379 nan 8.360 nan 0.000 0.459 241 G N 1.022 109.798 108.800 -0.040 0.000 2.446 241 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.217 241 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.217 241 G C 1.735 176.645 174.900 0.017 0.000 1.168 241 G CA 1.031 46.132 45.100 0.001 0.000 0.771 241 G HN 0.353 nan 8.290 nan 0.000 0.551 242 R N 0.279 120.783 120.500 0.007 0.000 2.073 242 R HA -0.027 4.313 4.340 -0.000 0.000 0.234 242 R C 2.560 178.857 176.300 -0.006 0.000 1.134 242 R CA 1.485 57.591 56.100 0.009 0.000 0.952 242 R CB -0.439 29.866 30.300 0.007 0.000 0.850 242 R HN 0.298 nan 8.270 nan 0.000 0.433 243 R N 0.597 121.081 120.500 -0.027 0.000 2.091 243 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 243 R C 2.166 178.440 176.300 -0.043 0.000 1.136 243 R CA 1.897 57.972 56.100 -0.041 0.000 0.959 243 R CB -0.131 30.130 30.300 -0.065 0.000 0.856 243 R HN 0.325 nan 8.270 nan 0.000 0.437 244 R N -0.440 120.026 120.500 -0.057 0.000 2.090 244 R HA 0.003 4.343 4.340 -0.000 0.000 0.228 244 R C 2.334 178.680 176.300 0.076 0.000 1.110 244 R CA 1.071 57.126 56.100 -0.076 0.000 0.973 244 R CB -0.215 29.937 30.300 -0.246 0.000 0.869 244 R HN 0.233 nan 8.270 nan 0.000 0.440 245 A N 0.769 123.662 122.820 0.123 0.000 1.902 245 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 245 A C 2.320 179.920 177.584 0.026 0.000 1.181 245 A CA 1.230 53.337 52.037 0.116 0.000 0.623 245 A CB -0.491 18.519 19.000 0.016 0.000 0.818 245 A HN 0.094 nan 8.150 nan 0.000 0.443 246 V N 0.023 119.942 119.914 0.007 0.000 2.295 246 V HA -0.229 3.890 4.120 -0.000 0.000 0.246 246 V C 2.627 178.723 176.094 0.004 0.000 1.049 246 V CA 2.370 64.668 62.300 -0.005 0.000 1.024 246 V CB -0.702 31.115 31.823 -0.009 0.000 0.648 246 V HN 0.618 nan 8.190 nan 0.000 0.447 247 E N 0.075 120.279 120.200 0.006 0.000 2.160 247 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 247 E C 1.899 178.520 176.600 0.035 0.000 0.991 247 E CA 1.195 57.601 56.400 0.009 0.000 0.810 247 E CB -0.482 29.210 29.700 -0.014 0.000 0.742 247 E HN 0.473 nan 8.360 nan 0.000 0.466 248 L N -0.339 120.926 121.223 0.070 0.000 2.017 248 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 248 L C 2.193 179.083 176.870 0.032 0.000 1.073 248 L CA 2.314 57.206 54.840 0.087 0.000 0.745 248 L CB -1.082 41.052 42.059 0.126 0.000 0.894 248 L HN 0.231 nan 8.230 nan 0.000 0.432 249 G N -0.702 108.102 108.800 0.006 0.000 2.574 249 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.220 249 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.220 249 G C 1.811 176.716 174.900 0.010 0.000 1.173 249 G CA 1.155 46.254 45.100 -0.002 0.000 0.772 249 G HN 0.441 nan 8.290 nan 0.000 0.585 250 R N 0.296 120.803 120.500 0.012 0.000 2.081 250 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 250 R C 2.368 178.680 176.300 0.021 0.000 1.131 250 R CA 1.318 57.426 56.100 0.013 0.000 0.960 250 R CB -0.373 29.933 30.300 0.010 0.000 0.856 250 R HN 0.327 nan 8.270 nan 0.000 0.436 251 N N 0.352 119.069 118.700 0.029 0.000 2.348 251 N HA -0.146 4.593 4.740 -0.000 0.000 0.185 251 N C 0.989 176.522 175.510 0.039 0.000 1.019 251 N CA 0.999 54.072 53.050 0.039 0.000 0.880 251 N CB 0.117 38.636 38.487 0.054 0.000 0.965 251 N HN 0.315 nan 8.380 nan 0.000 0.437 252 L N 0.491 121.733 121.223 0.032 0.000 2.857 252 L HA 0.187 4.527 4.340 -0.000 0.000 0.249 252 L C -0.303 176.579 176.870 0.019 0.000 1.172 252 L CA -0.155 54.703 54.840 0.029 0.000 0.980 252 L CB 0.051 42.127 42.059 0.029 0.000 1.299 252 L HN -0.014 nan 8.230 nan 0.000 0.535 253 N N -0.362 118.348 118.700 0.017 0.000 2.738 253 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 253 N C -0.346 175.168 175.510 0.007 0.000 1.047 253 N CA 0.505 53.562 53.050 0.012 0.000 0.707 253 N CB -1.921 36.574 38.487 0.013 0.000 0.937 253 N HN 0.245 nan 8.380 nan 0.000 0.545 254 c N 0.835 119.438 118.600 0.005 0.000 2.398 254 c HA 0.275 4.845 4.570 -0.000 0.000 0.364 254 c C 1.354 175.447 174.090 0.005 0.000 1.219 254 c CA -1.035 55.294 56.329 0.001 0.000 2.312 254 c CB 1.112 43.621 42.510 -0.002 0.000 2.428 254 c HN 0.431 nan 8.230 nan 0.000 0.564 255 N N 2.123 120.827 118.700 0.008 0.000 2.434 255 N HA 0.041 4.781 4.740 -0.000 0.000 0.268 255 N C -0.043 175.475 175.510 0.014 0.000 1.256 255 N CA 0.355 53.414 53.050 0.015 0.000 0.914 255 N CB 0.348 38.851 38.487 0.027 0.000 1.088 255 N HN 0.611 nan 8.380 nan 0.000 0.478 256 L N 3.245 124.474 121.223 0.010 0.000 2.848 256 L HA 0.184 4.524 4.340 -0.000 0.000 0.240 256 L C 1.000 177.875 176.870 0.008 0.000 1.232 256 L CA -0.239 54.605 54.840 0.007 0.000 1.031 256 L CB -0.207 41.854 42.059 0.004 0.000 1.338 256 L HN 0.413 nan 8.230 nan 0.000 0.509 257 N N 0.037 118.745 118.700 0.013 0.000 2.415 257 N HA 0.004 4.744 4.740 -0.000 0.000 0.176 257 N C 0.535 176.052 175.510 0.012 0.000 1.042 257 N CA 0.385 53.443 53.050 0.013 0.000 0.902 257 N CB 0.637 39.133 38.487 0.016 0.000 0.986 257 N HN 0.401 nan 8.380 nan 0.000 0.447 258 S N -1.387 114.322 115.700 0.014 0.000 2.565 258 S HA 0.336 4.806 4.470 -0.000 0.000 0.269 258 S C -0.103 174.503 174.600 0.010 0.000 1.153 258 S CA -0.798 57.409 58.200 0.012 0.000 0.835 258 S CB 1.734 64.942 63.200 0.014 0.000 1.122 258 S HN -0.260 nan 8.310 nan 0.000 0.462 259 D N 1.389 121.792 120.400 0.005 0.000 2.133 259 D HA -0.170 4.470 4.640 -0.000 0.000 0.192 259 D C 1.645 177.949 176.300 0.007 0.000 1.001 259 D CA 2.055 56.054 54.000 -0.002 0.000 0.844 259 D CB -0.195 40.603 40.800 -0.003 0.000 0.944 259 D HN 0.838 nan 8.370 nan 0.000 0.447 260 E N 0.569 120.778 120.200 0.016 0.000 2.110 260 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 260 E C 1.645 178.280 176.600 0.059 0.000 0.988 260 E CA 0.869 57.284 56.400 0.025 0.000 0.804 260 E CB 0.160 29.864 29.700 0.008 0.000 0.745 260 E HN 0.302 nan 8.360 nan 0.000 0.458 261 E N 0.532 120.768 120.200 0.059 0.000 2.072 261 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 261 E C 2.320 178.970 176.600 0.083 0.000 0.982 261 E CA 0.708 57.164 56.400 0.094 0.000 0.803 261 E CB -0.203 29.535 29.700 0.064 0.000 0.755 261 E HN 0.275 nan 8.360 nan 0.000 0.453 262 L N 1.243 122.489 121.223 0.038 0.000 2.046 262 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 262 L C 2.162 179.036 176.870 0.008 0.000 1.077 262 L CA 1.401 56.247 54.840 0.009 0.000 0.747 262 L CB -0.336 41.711 42.059 -0.020 0.000 0.896 262 L HN 0.013 nan 8.230 nan 0.000 0.432 263 I N -0.754 119.826 120.570 0.016 0.000 2.179 263 I HA -0.355 3.815 4.170 -0.000 0.000 0.242 263 I C 2.601 178.819 176.117 0.169 0.000 1.088 263 I CA 1.782 63.105 61.300 0.038 0.000 1.357 263 I CB -0.656 37.366 38.000 0.036 0.000 1.051 263 I HN 0.499 nan 8.210 nan 0.000 0.409 264 H N 0.086 119.189 119.070 0.054 0.000 2.319 264 H HA -0.308 4.248 4.556 -0.000 0.000 0.297 264 H C 2.548 177.914 175.328 0.064 0.000 1.097 264 H CA 2.028 58.112 56.048 0.061 0.000 1.285 264 H CB 0.065 29.850 29.762 0.038 0.000 1.368 264 H HN 0.538 nan 8.280 nan 0.000 0.495 265 c N 0.741 119.329 118.600 -0.021 0.000 2.429 265 c HA -0.090 4.480 4.570 -0.000 0.000 0.277 265 c C 2.817 176.905 174.090 -0.003 0.000 1.262 265 c CA 0.815 57.088 56.329 -0.093 0.000 1.733 265 c CB -1.329 41.155 42.510 -0.043 0.000 2.010 265 c HN 0.584 nan 8.230 nan 0.000 0.483 266 L N 0.138 121.404 121.223 0.072 0.000 2.156 266 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 266 L C 2.936 179.945 176.870 0.233 0.000 1.095 266 L CA 1.168 56.096 54.840 0.147 0.000 0.770 266 L CB -0.607 41.529 42.059 0.128 0.000 0.914 266 L HN 0.314 nan 8.230 nan 0.000 0.439 267 R N -0.103 120.537 120.500 0.234 0.000 2.235 267 R HA -0.089 4.251 4.340 -0.000 0.000 0.213 267 R C 1.625 177.965 176.300 0.067 0.000 1.059 267 R CA 0.658 56.845 56.100 0.146 0.000 0.997 267 R CB -0.007 30.395 30.300 0.170 0.000 0.884 267 R HN 0.435 nan 8.270 nan 0.000 0.462 268 E N 0.190 120.405 120.200 0.025 0.000 2.442 268 E HA 0.003 4.353 4.350 -0.000 0.000 0.195 268 E C -0.079 176.528 176.600 0.011 0.000 1.030 268 E CA 0.260 56.655 56.400 -0.008 0.000 0.869 268 E CB 0.426 30.071 29.700 -0.092 0.000 0.857 268 E HN -0.012 nan 8.360 nan 0.000 0.505 269 K N 1.901 122.323 120.400 0.036 0.000 2.237 269 K HA 0.176 4.496 4.320 -0.000 0.000 0.270 269 K C -0.005 176.634 176.600 0.066 0.000 1.015 269 K CA 0.014 56.331 56.287 0.050 0.000 0.949 269 K CB 0.684 33.224 32.500 0.067 0.000 0.976 269 K HN -0.042 nan 8.250 nan 0.000 0.472 270 K N 2.739 123.176 120.400 0.061 0.000 2.258 270 K HA 0.069 4.389 4.320 -0.000 0.000 0.264 270 K C -1.571 175.101 176.600 0.119 0.000 1.007 270 K CA -1.520 54.806 56.287 0.064 0.000 0.941 270 K CB 0.022 32.547 32.500 0.042 0.000 0.966 270 K HN 0.179 nan 8.250 nan 0.000 0.480 271 P HA -0.224 nan 4.420 nan 0.000 0.215 271 P C 1.118 178.595 177.300 0.295 0.000 1.157 271 P CA 1.354 64.605 63.100 0.251 0.000 0.874 271 P CB 0.254 31.915 31.700 -0.065 0.000 0.790 272 Q N -0.362 119.534 119.800 0.160 0.000 2.378 272 Q HA -0.091 4.249 4.340 -0.000 0.000 0.205 272 Q C 1.870 177.960 176.000 0.151 0.000 0.954 272 Q CA 1.184 57.078 55.803 0.153 0.000 0.901 272 Q CB -0.613 28.180 28.738 0.090 0.000 0.981 272 Q HN 0.350 nan 8.270 nan 0.000 0.483 273 E N -0.810 119.468 120.200 0.130 0.000 2.150 273 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 273 E C 1.345 178.017 176.600 0.120 0.000 0.985 273 E CA 0.672 57.139 56.400 0.112 0.000 0.814 273 E CB 0.051 29.801 29.700 0.084 0.000 0.752 273 E HN 0.219 nan 8.360 nan 0.000 0.466 274 L N 0.560 121.863 121.223 0.133 0.000 2.056 274 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 274 L C 2.175 179.117 176.870 0.120 0.000 1.078 274 L CA 1.463 56.348 54.840 0.076 0.000 0.749 274 L CB -0.449 41.582 42.059 -0.047 0.000 0.901 274 L HN 0.146 nan 8.230 nan 0.000 0.433 275 I N -0.633 120.058 120.570 0.202 0.000 2.394 275 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 275 I C 1.876 178.167 176.117 0.290 0.000 1.136 275 I CA 0.873 62.331 61.300 0.264 0.000 1.425 275 I CB -0.349 37.849 38.000 0.328 0.000 1.079 275 I HN 0.222 nan 8.210 nan 0.000 0.425 276 D N 0.252 120.796 120.400 0.240 0.000 2.218 276 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 276 D C 1.936 178.377 176.300 0.235 0.000 0.976 276 D CA 1.507 55.653 54.000 0.243 0.000 0.853 276 D CB 0.041 40.942 40.800 0.168 0.000 0.939 276 D HN 0.385 nan 8.370 nan 0.000 0.481 277 V N -2.701 117.324 119.914 0.185 0.000 3.528 277 V HA 0.210 4.330 4.120 -0.000 0.000 0.294 277 V C 1.747 177.930 176.094 0.148 0.000 1.404 277 V CA -0.080 62.316 62.300 0.161 0.000 1.065 277 V CB 0.379 32.272 31.823 0.116 0.000 0.904 277 V HN -0.085 nan 8.190 nan 0.000 0.435 278 E N 0.869 121.144 120.200 0.124 0.000 2.086 278 E HA -0.279 4.071 4.350 -0.000 0.000 0.200 278 E C 1.620 178.156 176.600 -0.108 0.000 1.012 278 E CA 2.809 59.226 56.400 0.028 0.000 0.812 278 E CB -0.227 29.394 29.700 -0.131 0.000 0.743 278 E HN 0.823 nan 8.360 nan 0.000 0.453 279 W N 0.793 122.114 121.300 0.035 0.000 2.465 279 W HA -0.046 4.614 4.660 -0.000 0.000 0.268 279 W C 1.919 178.416 176.519 -0.038 0.000 1.242 279 W CA 0.283 57.597 57.345 -0.051 0.000 1.248 279 W CB -0.169 29.226 29.460 -0.108 0.000 1.118 279 W HN 0.124 nan 8.180 nan 0.000 0.587 280 N N 0.283 119.083 118.700 0.168 0.000 2.381 280 N HA -0.132 4.607 4.740 -0.000 0.000 0.182 280 N C 1.808 177.337 175.510 0.031 0.000 1.025 280 N CA 1.672 54.782 53.050 0.099 0.000 0.888 280 N CB -0.847 37.696 38.487 0.093 0.000 0.965 280 N HN 0.248 nan 8.380 nan 0.000 0.438 281 V N -1.815 118.093 119.914 -0.010 0.000 3.623 281 V HA 0.195 4.315 4.120 -0.000 0.000 0.271 281 V C 0.799 176.802 176.094 -0.151 0.000 1.248 281 V CA 0.040 62.290 62.300 -0.082 0.000 1.156 281 V CB -0.744 31.017 31.823 -0.103 0.000 0.870 281 V HN 0.026 nan 8.190 nan 0.000 0.453 282 L N 1.859 123.011 121.223 -0.119 0.000 2.461 282 L HA 0.246 4.586 4.340 -0.000 0.000 0.272 282 L C -0.434 176.316 176.870 -0.200 0.000 1.197 282 L CA -1.025 53.730 54.840 -0.141 0.000 0.836 282 L CB 0.897 42.939 42.059 -0.030 0.000 1.105 282 L HN 0.150 nan 8.230 nan 0.000 0.477 283 P HA -0.016 nan 4.420 nan 0.000 0.222 283 P C -0.404 176.532 177.300 -0.607 0.000 1.153 283 P CA 1.137 63.834 63.100 -0.673 0.000 0.798 283 P CB 0.272 31.249 31.700 -1.204 0.000 0.796 284 F N -0.867 119.075 119.950 -0.014 0.000 2.629 284 F HA 0.346 4.873 4.527 -0.000 0.000 0.316 284 F C 0.122 175.919 175.800 -0.004 0.000 1.081 284 F CA -1.511 56.486 58.000 -0.004 0.000 0.954 284 F CB 0.062 39.063 39.000 0.002 0.000 1.337 284 F HN -0.419 nan 8.300 nan 0.000 0.474 285 D N 1.126 121.655 120.400 0.215 0.000 2.493 285 D HA 0.413 5.053 4.640 -0.000 0.000 0.240 285 D C -0.448 175.913 176.300 0.103 0.000 1.142 285 D CA 1.070 55.137 54.000 0.112 0.000 0.872 285 D CB 0.484 41.328 40.800 0.073 0.000 1.173 285 D HN 0.668 nan 8.370 nan 0.000 0.467 286 S N 1.256 116.988 115.700 0.053 0.000 2.615 286 S HA 0.677 5.147 4.470 -0.000 0.000 0.269 286 S C -0.745 173.845 174.600 -0.017 0.000 1.161 286 S CA -1.115 57.105 58.200 0.033 0.000 0.817 286 S CB 0.757 63.992 63.200 0.058 0.000 1.131 286 S HN 0.466 nan 8.310 nan 0.000 0.467 287 I N -2.610 117.945 120.570 -0.026 0.000 2.957 287 I HA 0.787 4.957 4.170 -0.000 0.000 0.310 287 I C -0.113 175.964 176.117 -0.067 0.000 1.063 287 I CA -1.119 60.156 61.300 -0.043 0.000 1.033 287 I CB 1.113 39.105 38.000 -0.013 0.000 1.230 287 I HN 0.779 nan 8.210 nan 0.000 0.447 288 F N 1.820 121.557 119.950 -0.356 0.000 3.090 288 F HA -0.194 4.333 4.527 -0.000 0.000 0.282 288 F C -0.308 174.919 175.800 -0.954 0.000 0.923 288 F CA 0.642 58.169 58.000 -0.788 0.000 0.977 288 F CB -0.686 37.731 39.000 -0.972 0.000 0.954 288 F HN 0.586 nan 8.300 nan 0.000 0.695 289 R N 0.350 120.440 120.500 -0.682 0.000 2.686 289 R HA 0.697 5.037 4.340 -0.000 0.000 0.286 289 R C -0.974 174.960 176.300 -0.610 0.000 0.969 289 R CA -0.584 55.187 56.100 -0.547 0.000 0.898 289 R CB 1.437 31.648 30.300 -0.149 0.000 1.183 289 R HN 0.011 nan 8.270 nan 0.000 0.456 290 F N -1.003 119.049 119.950 0.170 0.000 2.578 290 F HA 0.360 4.887 4.527 -0.000 0.000 0.311 290 F C 1.413 177.152 175.800 -0.102 0.000 1.094 290 F CA -0.759 57.269 58.000 0.047 0.000 0.923 290 F CB 1.959 41.082 39.000 0.205 0.000 1.230 290 F HN 0.341 nan 8.300 nan 0.000 0.450 291 S N 0.691 116.312 115.700 -0.132 0.000 2.335 291 S HA 0.037 4.507 4.470 -0.000 0.000 0.217 291 S C 0.120 174.338 174.600 -0.637 0.000 1.032 291 S CA 1.067 58.991 58.200 -0.460 0.000 0.985 291 S CB -0.162 62.662 63.200 -0.627 0.000 0.896 291 S HN 0.347 nan 8.310 nan 0.000 0.445 292 F N 2.119 122.098 119.950 0.049 0.000 2.308 292 F HA 0.511 5.038 4.527 -0.000 0.000 0.370 292 F C 0.038 175.874 175.800 0.062 0.000 1.100 292 F CA -0.896 57.164 58.000 0.100 0.000 1.108 292 F CB 0.823 39.910 39.000 0.145 0.000 1.293 292 F HN -0.084 nan 8.300 nan 0.000 0.478 293 V N 0.858 120.769 119.914 -0.004 0.000 3.141 293 V HA 0.737 4.857 4.120 -0.000 0.000 0.312 293 V C -2.857 172.952 176.094 -0.475 0.000 1.157 293 V CA -3.434 58.589 62.300 -0.463 0.000 1.041 293 V CB 1.967 33.663 31.823 -0.212 0.000 1.071 293 V HN 0.232 nan 8.190 nan 0.000 0.441 294 P HA 0.124 nan 4.420 nan 0.000 0.264 294 P C -0.430 176.799 177.300 -0.118 0.000 1.173 294 P CA 0.506 63.391 63.100 -0.359 0.000 0.761 294 P CB 0.261 31.671 31.700 -0.484 0.000 0.794 295 V N 2.012 121.966 119.914 0.066 0.000 2.547 295 V HA 0.410 4.530 4.120 -0.000 0.000 0.299 295 V C 0.169 176.362 176.094 0.165 0.000 1.040 295 V CA -0.799 61.546 62.300 0.075 0.000 0.913 295 V CB 1.585 33.480 31.823 0.119 0.000 0.992 295 V HN 0.216 nan 8.190 nan 0.000 0.449 296 I N 4.874 125.472 120.570 0.046 0.000 2.293 296 I HA 0.210 4.380 4.170 -0.000 0.000 0.299 296 I C 0.797 177.009 176.117 0.158 0.000 1.153 296 I CA 0.057 61.408 61.300 0.084 0.000 1.302 296 I CB -0.158 37.801 38.000 -0.069 0.000 1.460 296 I HN 0.954 nan 8.210 nan 0.000 0.552 297 D N 3.216 123.793 120.400 0.295 0.000 2.355 297 D HA 0.063 4.703 4.640 -0.000 0.000 0.206 297 D C 1.410 177.896 176.300 0.310 0.000 1.010 297 D CA 0.822 55.007 54.000 0.309 0.000 0.875 297 D CB 0.417 41.418 40.800 0.335 0.000 0.966 297 D HN 0.615 nan 8.370 nan 0.000 0.512 298 G N 0.628 109.577 108.800 0.248 0.000 2.157 298 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.248 298 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.248 298 G C 0.612 175.606 174.900 0.157 0.000 0.979 298 G CA 0.618 45.831 45.100 0.188 0.000 0.650 298 G HN 0.529 nan 8.290 nan 0.000 0.529 299 E N -1.519 118.778 120.200 0.162 0.000 3.249 299 E HA 0.320 4.670 4.350 -0.000 0.000 0.184 299 E C 1.801 178.422 176.600 0.036 0.000 1.163 299 E CA -0.143 56.312 56.400 0.092 0.000 1.353 299 E CB -0.063 29.690 29.700 0.088 0.000 1.466 299 E HN 0.224 nan 8.360 nan 0.000 0.502 300 F N 0.854 120.731 119.950 -0.120 0.000 2.126 300 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 300 F C 0.210 175.684 175.800 -0.543 0.000 1.096 300 F CA 1.286 59.071 58.000 -0.358 0.000 1.255 300 F CB 0.219 38.923 39.000 -0.494 0.000 0.997 300 F HN -0.048 nan 8.300 nan 0.000 0.479 301 F N 1.373 121.467 119.950 0.239 0.000 2.347 301 F HA 0.343 4.870 4.527 -0.000 0.000 0.366 301 F C -1.506 174.347 175.800 0.088 0.000 1.107 301 F CA -3.060 55.023 58.000 0.138 0.000 1.058 301 F CB 0.494 39.580 39.000 0.143 0.000 1.236 301 F HN -0.223 nan 8.300 nan 0.000 0.456 302 P HA -0.051 nan 4.420 nan 0.000 0.219 302 P C 0.407 177.780 177.300 0.122 0.000 1.150 302 P CA 1.267 64.438 63.100 0.119 0.000 0.814 302 P CB 0.330 32.067 31.700 0.062 0.000 0.787 303 T N -4.407 110.228 114.554 0.134 0.000 2.696 303 T HA 0.435 4.785 4.350 -0.000 0.000 0.291 303 T C -0.257 174.496 174.700 0.089 0.000 1.095 303 T CA -0.601 61.554 62.100 0.092 0.000 1.026 303 T CB 0.946 69.851 68.868 0.061 0.000 1.390 303 T HN 0.051 nan 8.240 nan 0.000 0.513 304 S N 0.233 115.957 115.700 0.041 0.000 2.558 304 S HA 0.133 4.603 4.470 -0.000 0.000 0.288 304 S C 1.509 176.112 174.600 0.005 0.000 1.318 304 S CA -0.703 57.498 58.200 0.001 0.000 1.056 304 S CB -0.409 62.789 63.200 -0.002 0.000 0.853 304 S HN 0.658 nan 8.310 nan 0.000 0.505 305 L N 0.915 122.103 121.223 -0.059 0.000 2.042 305 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 305 L C 2.905 179.806 176.870 0.052 0.000 1.076 305 L CA 1.962 56.783 54.840 -0.031 0.000 0.749 305 L CB -0.817 41.163 42.059 -0.133 0.000 0.893 305 L HN 0.801 nan 8.230 nan 0.000 0.432 306 E N 0.746 120.974 120.200 0.048 0.000 2.118 306 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 306 E C 2.236 178.896 176.600 0.101 0.000 0.992 306 E CA 1.791 58.253 56.400 0.103 0.000 0.804 306 E CB -0.050 29.705 29.700 0.093 0.000 0.741 306 E HN 0.512 nan 8.360 nan 0.000 0.458 307 S N -0.690 115.054 115.700 0.072 0.000 2.414 307 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 307 S C 2.094 176.735 174.600 0.068 0.000 1.022 307 S CA 0.942 59.181 58.200 0.064 0.000 0.958 307 S CB -0.318 62.907 63.200 0.043 0.000 0.797 307 S HN 0.233 nan 8.310 nan 0.000 0.493 308 M N 1.085 120.741 119.600 0.094 0.000 2.117 308 M HA 0.012 4.492 4.480 -0.000 0.000 0.262 308 M C 2.139 178.567 176.300 0.213 0.000 1.065 308 M CA 1.447 56.824 55.300 0.128 0.000 1.114 308 M CB -0.688 32.025 32.600 0.188 0.000 1.361 308 M HN 0.301 nan 8.290 nan 0.000 0.408 309 L N -0.183 121.177 121.223 0.229 0.000 2.093 309 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 309 L C 2.133 179.162 176.870 0.265 0.000 1.085 309 L CA 0.822 55.839 54.840 0.295 0.000 0.755 309 L CB -0.684 41.464 42.059 0.147 0.000 0.904 309 L HN 0.336 nan 8.230 nan 0.000 0.435 310 N N -0.478 118.317 118.700 0.158 0.000 2.270 310 N HA -0.123 4.617 4.740 -0.000 0.000 0.181 310 N C 1.964 177.542 175.510 0.112 0.000 1.016 310 N CA 1.547 54.689 53.050 0.153 0.000 0.870 310 N CB -0.029 38.524 38.487 0.111 0.000 0.979 310 N HN 0.315 nan 8.380 nan 0.000 0.431 311 S N -1.245 114.431 115.700 -0.039 0.000 2.548 311 S HA 0.236 4.706 4.470 -0.000 0.000 0.215 311 S C 1.294 175.473 174.600 -0.702 0.000 0.976 311 S CA 0.497 58.585 58.200 -0.187 0.000 0.908 311 S CB 0.249 63.380 63.200 -0.116 0.000 0.781 311 S HN 0.344 nan 8.310 nan 0.000 0.519 312 G N 1.936 110.068 108.800 -1.113 0.000 2.147 312 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 312 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 312 G C -0.047 173.928 174.900 -1.542 0.000 1.005 312 G CA 0.096 43.843 45.100 -2.254 0.000 0.713 312 G HN 0.611 nan 8.290 nan 0.000 0.515 313 N N 0.655 118.925 118.700 -0.717 0.000 2.895 313 N HA 0.513 5.253 4.740 -0.000 0.000 0.277 313 N C -0.158 175.298 175.510 -0.090 0.000 1.185 313 N CA -0.098 52.744 53.050 -0.347 0.000 1.106 313 N CB -0.851 37.558 38.487 -0.130 0.000 1.422 313 N HN 0.715 nan 8.380 nan 0.000 0.521 314 F N -1.015 118.884 119.950 -0.085 0.000 2.770 314 F HA 0.397 4.924 4.527 -0.000 0.000 0.313 314 F C -0.354 175.472 175.800 0.043 0.000 1.154 314 F CA -1.416 56.606 58.000 0.036 0.000 0.923 314 F CB 0.611 39.694 39.000 0.139 0.000 1.301 314 F HN -0.158 nan 8.300 nan 0.000 0.449 315 K N 1.800 122.443 120.400 0.405 0.000 2.451 315 K HA 0.174 4.494 4.320 -0.000 0.000 0.280 315 K C -1.011 175.865 176.600 0.461 0.000 1.020 315 K CA -0.070 56.389 56.287 0.288 0.000 1.008 315 K CB 0.490 33.094 32.500 0.173 0.000 0.917 315 K HN 0.732 nan 8.250 nan 0.000 0.478 316 K N 2.724 123.266 120.400 0.236 0.000 2.281 316 K HA 0.193 4.513 4.320 -0.000 0.000 0.272 316 K C -0.294 176.436 176.600 0.216 0.000 1.048 316 K CA -0.282 56.138 56.287 0.221 0.000 0.898 316 K CB 1.865 34.404 32.500 0.065 0.000 1.128 316 K HN 0.621 nan 8.250 nan 0.000 0.460 317 T N 1.455 116.213 114.554 0.340 0.000 2.647 317 T HA 0.235 4.585 4.350 -0.000 0.000 0.302 317 T C -1.560 173.346 174.700 0.342 0.000 1.389 317 T CA -0.708 61.550 62.100 0.263 0.000 1.037 317 T CB 0.777 69.766 68.868 0.202 0.000 1.755 317 T HN 0.416 nan 8.240 nan 0.000 0.467 318 Q N 1.112 121.085 119.800 0.289 0.000 2.245 318 Q HA 0.747 5.087 4.340 -0.000 0.000 0.256 318 Q C -0.415 175.875 176.000 0.483 0.000 0.942 318 Q CA -0.486 55.540 55.803 0.370 0.000 0.896 318 Q CB 1.498 30.416 28.738 0.301 0.000 1.272 318 Q HN 0.659 nan 8.270 nan 0.000 0.442 319 I N -1.177 119.611 120.570 0.363 0.000 2.828 319 I HA 0.737 4.907 4.170 -0.000 0.000 0.302 319 I C -1.473 174.543 176.117 -0.168 0.000 1.101 319 I CA -1.370 59.998 61.300 0.113 0.000 1.031 319 I CB 1.852 39.773 38.000 -0.133 0.000 1.231 319 I HN 0.550 nan 8.210 nan 0.000 0.427 320 L N 6.791 127.701 121.223 -0.521 0.000 2.409 320 L HA 0.779 5.119 4.340 -0.000 0.000 0.272 320 L C -1.349 175.331 176.870 -0.316 0.000 0.980 320 L CA -0.498 53.964 54.840 -0.631 0.000 0.826 320 L CB 1.672 42.863 42.059 -1.447 0.000 1.268 320 L HN 0.859 nan 8.230 nan 0.000 0.407 321 L N 2.302 123.464 121.223 -0.103 0.000 2.720 321 L HA 1.107 5.447 4.340 -0.000 0.000 0.261 321 L C -0.819 175.886 176.870 -0.276 0.000 1.046 321 L CA -0.454 54.350 54.840 -0.060 0.000 0.886 321 L CB 1.885 43.899 42.059 -0.074 0.000 1.493 321 L HN 0.681 nan 8.230 nan 0.000 0.407 322 G N -0.113 108.333 108.800 -0.590 0.000 2.322 322 G HA2 0.552 4.512 3.960 -0.000 0.000 0.295 322 G HA3 0.552 4.512 3.960 -0.000 0.000 0.295 322 G C -1.619 172.965 174.900 -0.527 0.000 1.369 322 G CA -0.000 44.443 45.100 -1.096 0.000 0.821 322 G HN 1.499 nan 8.290 nan 0.000 0.536 323 V N -2.176 117.581 119.914 -0.261 0.000 3.102 323 V HA 0.896 5.016 4.120 -0.000 0.000 0.312 323 V C -0.802 175.391 176.094 0.163 0.000 1.135 323 V CA -1.398 60.942 62.300 0.066 0.000 1.022 323 V CB 1.984 33.856 31.823 0.082 0.000 1.056 323 V HN 0.690 nan 8.190 nan 0.000 0.436 324 N N 0.886 119.691 118.700 0.176 0.000 2.477 324 N HA 0.451 5.190 4.740 -0.000 0.000 0.284 324 N C 0.550 176.020 175.510 -0.066 0.000 1.182 324 N CA -0.576 52.553 53.050 0.132 0.000 0.949 324 N CB 1.709 40.386 38.487 0.317 0.000 1.204 324 N HN 0.905 nan 8.380 nan 0.000 0.526 325 K N -0.040 120.227 120.400 -0.222 0.000 2.057 325 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 325 K C -0.546 176.119 176.600 0.108 0.000 1.049 325 K CA 1.323 57.538 56.287 -0.119 0.000 0.931 325 K CB 0.211 32.664 32.500 -0.078 0.000 0.714 325 K HN 0.527 nan 8.250 nan 0.000 0.440 326 D N 0.817 121.282 120.400 0.107 0.000 3.010 326 D HA 0.024 4.664 4.640 -0.000 0.000 0.347 326 D C 0.075 176.453 176.300 0.129 0.000 1.340 326 D CA -0.048 54.026 54.000 0.125 0.000 0.858 326 D CB 1.067 41.932 40.800 0.108 0.000 1.111 326 D HN 0.182 nan 8.370 nan 0.000 0.482 327 E N 0.500 120.776 120.200 0.126 0.000 2.219 327 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 327 E C 1.947 178.625 176.600 0.129 0.000 0.998 327 E CA 0.764 57.231 56.400 0.111 0.000 0.818 327 E CB 0.052 29.747 29.700 -0.007 0.000 0.741 327 E HN 0.399 nan 8.360 nan 0.000 0.477 328 G N 1.040 109.899 108.800 0.099 0.000 2.623 328 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.214 328 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.214 328 G C 1.731 176.681 174.900 0.085 0.000 1.138 328 G CA 0.764 45.921 45.100 0.094 0.000 0.794 328 G HN 0.375 nan 8.290 nan 0.000 0.535 329 S N 1.329 117.065 115.700 0.061 0.000 2.357 329 S HA -0.104 4.366 4.470 -0.000 0.000 0.221 329 S C 2.193 176.765 174.600 -0.047 0.000 1.031 329 S CA 1.292 59.517 58.200 0.042 0.000 0.982 329 S CB -0.775 62.395 63.200 -0.050 0.000 0.853 329 S HN 0.626 nan 8.310 nan 0.000 0.458 330 F N 1.363 121.184 119.950 -0.214 0.000 2.269 330 F HA 0.118 4.645 4.527 -0.000 0.000 0.301 330 F C 1.650 177.288 175.800 -0.270 0.000 1.082 330 F CA 0.462 58.262 58.000 -0.333 0.000 1.360 330 F CB -0.831 37.819 39.000 -0.584 0.000 1.041 330 F HN 0.107 nan 8.300 nan 0.000 0.512 331 F N 1.079 120.543 119.950 -0.810 0.000 2.234 331 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 331 F C 2.095 177.739 175.800 -0.261 0.000 1.087 331 F CA 1.157 58.795 58.000 -0.603 0.000 1.340 331 F CB -0.721 37.889 39.000 -0.651 0.000 1.031 331 F HN 0.036 nan 8.300 nan 0.000 0.500 332 L N -0.921 120.215 121.223 -0.145 0.000 2.131 332 L HA -0.143 4.197 4.340 -0.000 0.000 0.206 332 L C 2.392 179.115 176.870 -0.244 0.000 1.087 332 L CA 0.400 54.980 54.840 -0.434 0.000 0.767 332 L CB -0.619 40.764 42.059 -1.127 0.000 0.917 332 L HN 0.155 nan 8.230 nan 0.000 0.441 333 L N -0.881 120.384 121.223 0.069 0.000 2.042 333 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 333 L C 2.275 179.301 176.870 0.260 0.000 1.076 333 L CA 2.036 57.085 54.840 0.348 0.000 0.749 333 L CB -0.625 41.708 42.059 0.457 0.000 0.893 333 L HN 0.113 nan 8.230 nan 0.000 0.432 334 Y N -0.864 119.492 120.300 0.094 0.000 2.475 334 Y HA 0.231 4.781 4.550 -0.000 0.000 0.289 334 Y C 2.184 178.074 175.900 -0.016 0.000 1.121 334 Y CA 0.885 59.015 58.100 0.050 0.000 1.257 334 Y CB 0.017 38.486 38.460 0.015 0.000 1.026 334 Y HN 0.287 nan 8.280 nan 0.000 0.555 335 G N -1.806 107.064 108.800 0.117 0.000 3.738 335 G HA2 0.500 4.460 3.960 -0.000 0.000 0.241 335 G HA3 0.500 4.460 3.960 -0.000 0.000 0.241 335 G C -0.240 174.684 174.900 0.040 0.000 1.068 335 G CA 0.422 45.545 45.100 0.039 0.000 0.899 335 G HN 0.258 nan 8.290 nan 0.000 0.519 336 A N 0.672 123.539 122.820 0.080 0.000 2.380 336 A HA 0.896 5.216 4.320 -0.000 0.000 0.315 336 A C -2.927 174.814 177.584 0.263 0.000 1.101 336 A CA -1.577 50.545 52.037 0.141 0.000 0.771 336 A CB 1.611 20.676 19.000 0.109 0.000 1.287 336 A HN -0.003 nan 8.150 nan 0.000 0.436 337 P HA 0.390 nan 4.420 nan 0.000 0.271 337 P C 0.831 178.175 177.300 0.073 0.000 1.216 337 P CA 1.450 64.622 63.100 0.121 0.000 0.771 337 P CB 0.957 32.693 31.700 0.059 0.000 0.864 338 G N 1.065 109.848 108.800 -0.028 0.000 2.176 338 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.232 338 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.232 338 G C -0.231 174.461 174.900 -0.346 0.000 0.986 338 G CA -0.587 44.385 45.100 -0.215 0.000 0.643 338 G HN 0.386 nan 8.290 nan 0.000 0.522 339 F N 1.521 121.420 119.950 -0.086 0.000 2.385 339 F HA 0.734 5.261 4.527 -0.000 0.000 0.336 339 F C 0.741 176.554 175.800 0.022 0.000 1.100 339 F CA 0.184 58.110 58.000 -0.125 0.000 1.116 339 F CB 2.111 41.079 39.000 -0.054 0.000 1.166 339 F HN 0.229 nan 8.300 nan 0.000 0.511 340 S N 1.905 117.752 115.700 0.245 0.000 2.550 340 S HA 0.268 4.738 4.470 -0.000 0.000 0.270 340 S C 0.217 175.107 174.600 0.484 0.000 1.145 340 S CA -0.864 57.519 58.200 0.306 0.000 0.852 340 S CB 1.519 64.807 63.200 0.147 0.000 1.119 340 S HN 0.778 nan 8.310 nan 0.000 0.465 341 K N 1.123 121.724 120.400 0.335 0.000 2.365 341 K HA 0.076 4.396 4.320 -0.000 0.000 0.199 341 K C -0.079 176.595 176.600 0.125 0.000 1.045 341 K CA 1.346 57.768 56.287 0.225 0.000 0.962 341 K CB -0.121 32.310 32.500 -0.114 0.000 0.759 341 K HN 0.550 nan 8.250 nan 0.000 0.469 342 D N 0.928 121.386 120.400 0.097 0.000 2.395 342 D HA 0.040 4.680 4.640 -0.000 0.000 0.213 342 D C 0.144 176.494 176.300 0.083 0.000 1.110 342 D CA 0.223 54.247 54.000 0.040 0.000 0.835 342 D CB 0.939 41.733 40.800 -0.010 0.000 0.965 342 D HN 0.344 nan 8.370 nan 0.000 0.505 343 S N -1.042 114.747 115.700 0.147 0.000 2.776 343 S HA 0.304 4.774 4.470 -0.000 0.000 0.292 343 S C 0.491 175.182 174.600 0.151 0.000 1.187 343 S CA -0.676 57.583 58.200 0.099 0.000 0.834 343 S CB 2.089 65.302 63.200 0.023 0.000 1.199 343 S HN -0.176 nan 8.310 nan 0.000 0.514 344 E N 0.608 120.839 120.200 0.051 0.000 2.427 344 E HA 0.128 4.478 4.350 -0.000 0.000 0.196 344 E C -0.447 175.995 176.600 -0.263 0.000 1.028 344 E CA 0.425 56.848 56.400 0.038 0.000 0.864 344 E CB -0.125 29.590 29.700 0.026 0.000 0.813 344 E HN 0.665 nan 8.360 nan 0.000 0.514 345 S N 1.350 116.834 115.700 -0.360 0.000 3.628 345 S HA -0.170 4.300 4.470 -0.000 0.000 0.373 345 S C -0.359 173.884 174.600 -0.596 0.000 0.968 345 S CA 0.662 58.486 58.200 -0.626 0.000 1.215 345 S CB -1.145 61.335 63.200 -1.200 0.000 0.912 345 S HN 0.263 nan 8.310 nan 0.000 0.495 346 K N 0.943 121.132 120.400 -0.352 0.000 2.339 346 K HA 0.329 4.649 4.320 -0.000 0.000 0.286 346 K C 0.067 176.486 176.600 -0.302 0.000 1.050 346 K CA -0.173 55.954 56.287 -0.266 0.000 0.956 346 K CB 0.448 32.855 32.500 -0.156 0.000 0.990 346 K HN 0.171 nan 8.250 nan 0.000 0.475 347 I N 2.915 123.309 120.570 -0.293 0.000 2.362 347 I HA 0.063 4.233 4.170 -0.000 0.000 0.289 347 I C 0.785 176.817 176.117 -0.142 0.000 0.994 347 I CA -0.529 60.599 61.300 -0.287 0.000 1.158 347 I CB 1.207 39.014 38.000 -0.321 0.000 1.315 347 I HN 0.687 nan 8.210 nan 0.000 0.451 348 S N 6.097 121.734 115.700 -0.105 0.000 2.580 348 S HA 0.161 4.631 4.470 -0.000 0.000 0.266 348 S C 1.250 175.847 174.600 -0.006 0.000 1.354 348 S CA -0.237 57.929 58.200 -0.055 0.000 1.008 348 S CB 1.249 64.426 63.200 -0.038 0.000 0.898 348 S HN 0.631 nan 8.310 nan 0.000 0.555 349 R N 0.809 121.304 120.500 -0.009 0.000 2.081 349 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 349 R C 2.327 178.694 176.300 0.111 0.000 1.131 349 R CA 2.076 58.190 56.100 0.023 0.000 0.960 349 R CB -0.763 29.532 30.300 -0.008 0.000 0.856 349 R HN 0.935 nan 8.270 nan 0.000 0.436 350 E N -0.209 120.033 120.200 0.070 0.000 2.077 350 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 350 E C 0.852 177.499 176.600 0.079 0.000 0.989 350 E CA 1.690 58.134 56.400 0.074 0.000 0.800 350 E CB -0.057 29.668 29.700 0.042 0.000 0.746 350 E HN 0.356 nan 8.360 nan 0.000 0.452 351 D N -0.216 120.220 120.400 0.059 0.000 2.183 351 D HA -0.113 4.527 4.640 -0.000 0.000 0.203 351 D C 1.589 177.948 176.300 0.098 0.000 0.969 351 D CA 0.421 54.451 54.000 0.049 0.000 0.842 351 D CB -0.376 40.417 40.800 -0.012 0.000 0.957 351 D HN 0.200 nan 8.370 nan 0.000 0.484 352 F N 1.386 121.325 119.950 -0.019 0.000 2.065 352 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 352 F C 2.357 178.170 175.800 0.022 0.000 1.112 352 F CA 1.590 59.592 58.000 0.004 0.000 1.212 352 F CB -0.246 38.733 39.000 -0.034 0.000 0.975 352 F HN -0.158 nan 8.300 nan 0.000 0.476 353 M N -0.285 119.438 119.600 0.206 0.000 2.108 353 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 353 M C 2.463 178.753 176.300 -0.016 0.000 1.066 353 M CA 2.127 57.483 55.300 0.092 0.000 1.107 353 M CB -0.674 32.020 32.600 0.156 0.000 1.356 353 M HN 0.406 nan 8.290 nan 0.000 0.406 354 S N -0.043 115.661 115.700 0.006 0.000 2.436 354 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 354 S C 1.931 176.511 174.600 -0.034 0.000 1.014 354 S CA 0.987 59.185 58.200 -0.004 0.000 0.950 354 S CB -0.721 62.490 63.200 0.019 0.000 0.784 354 S HN 0.509 nan 8.310 nan 0.000 0.504 355 G N 1.544 110.307 108.800 -0.061 0.000 2.402 355 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.216 355 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.216 355 G C 1.578 176.369 174.900 -0.181 0.000 1.162 355 G CA 0.922 45.967 45.100 -0.093 0.000 0.777 355 G HN 0.759 nan 8.290 nan 0.000 0.539 356 V N 0.632 120.368 119.914 -0.297 0.000 2.392 356 V HA -0.116 4.004 4.120 -0.000 0.000 0.249 356 V C 2.579 178.600 176.094 -0.123 0.000 1.059 356 V CA 2.941 65.096 62.300 -0.243 0.000 1.051 356 V CB -0.387 31.269 31.823 -0.279 0.000 0.658 356 V HN 0.291 nan 8.190 nan 0.000 0.455 357 K N 0.024 120.368 120.400 -0.093 0.000 2.097 357 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 357 K C 1.870 178.434 176.600 -0.060 0.000 1.049 357 K CA 1.887 58.131 56.287 -0.072 0.000 0.933 357 K CB -0.753 31.716 32.500 -0.051 0.000 0.717 357 K HN 0.472 nan 8.250 nan 0.000 0.442 358 L N 0.584 121.779 121.223 -0.047 0.000 2.156 358 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 358 L C 2.029 178.887 176.870 -0.021 0.000 1.095 358 L CA 1.490 56.316 54.840 -0.024 0.000 0.770 358 L CB -1.088 40.959 42.059 -0.020 0.000 0.914 358 L HN 0.110 nan 8.230 nan 0.000 0.439 359 S N -1.289 114.384 115.700 -0.046 0.000 2.446 359 S HA 0.053 4.523 4.470 -0.000 0.000 0.225 359 S C 0.980 175.579 174.600 -0.003 0.000 1.016 359 S CA 0.265 58.441 58.200 -0.040 0.000 0.943 359 S CB 0.375 63.520 63.200 -0.091 0.000 0.786 359 S HN 0.175 nan 8.310 nan 0.000 0.508 360 V N 2.923 122.826 119.914 -0.018 0.000 2.405 360 V HA 0.229 4.349 4.120 -0.000 0.000 0.253 360 V C -2.024 174.103 176.094 0.054 0.000 0.963 360 V CA -1.244 61.056 62.300 0.000 0.000 1.003 360 V CB 0.958 32.688 31.823 -0.155 0.000 1.251 360 V HN 0.156 nan 8.190 nan 0.000 0.520 361 P HA -0.135 nan 4.420 nan 0.000 0.226 361 P C 1.222 178.227 177.300 -0.493 0.000 1.153 361 P CA 1.327 64.360 63.100 -0.113 0.000 0.777 361 P CB 0.084 31.807 31.700 0.038 0.000 0.794 362 H N -0.471 118.343 119.070 -0.426 0.000 2.462 362 H HA 0.350 4.906 4.556 -0.000 0.000 0.292 362 H C 0.991 176.137 175.328 -0.303 0.000 1.049 362 H CA -0.204 55.611 56.048 -0.389 0.000 1.334 362 H CB -0.602 29.128 29.762 -0.054 0.000 1.404 362 H HN -0.022 nan 8.280 nan 0.000 0.544 363 A N 2.942 125.574 122.820 -0.313 0.000 2.546 363 A HA -0.033 4.287 4.320 -0.000 0.000 0.243 363 A C 0.360 177.823 177.584 -0.201 0.000 1.063 363 A CA -0.231 51.636 52.037 -0.284 0.000 0.757 363 A CB -0.174 18.672 19.000 -0.257 0.000 0.991 363 A HN 0.739 nan 8.150 nan 0.000 0.503 364 N N 1.997 120.605 118.700 -0.153 0.000 2.297 364 N HA -0.052 4.688 4.740 -0.000 0.000 0.232 364 N C 0.480 175.939 175.510 -0.086 0.000 1.311 364 N CA 0.201 53.186 53.050 -0.107 0.000 0.897 364 N CB 0.272 38.710 38.487 -0.082 0.000 1.137 364 N HN 0.599 nan 8.380 nan 0.000 0.449 365 D N -0.748 119.618 120.400 -0.057 0.000 2.116 365 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 365 D C 1.700 177.989 176.300 -0.018 0.000 0.998 365 D CA 1.157 55.139 54.000 -0.031 0.000 0.836 365 D CB 0.037 40.827 40.800 -0.016 0.000 0.951 365 D HN 0.447 nan 8.370 nan 0.000 0.449 366 L N 1.063 122.270 121.223 -0.026 0.000 2.012 366 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 366 L C 2.359 179.223 176.870 -0.010 0.000 1.073 366 L CA 2.334 57.165 54.840 -0.014 0.000 0.748 366 L CB -1.096 40.945 42.059 -0.030 0.000 0.891 366 L HN 0.035 nan 8.230 nan 0.000 0.431 367 G N -0.381 108.383 108.800 -0.060 0.000 2.529 367 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 367 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 367 G C 1.607 176.496 174.900 -0.019 0.000 1.177 367 G CA 1.368 46.418 45.100 -0.083 0.000 0.773 367 G HN 0.458 nan 8.290 nan 0.000 0.573 368 L N 0.381 121.590 121.223 -0.024 0.000 2.012 368 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 368 L C 2.652 179.565 176.870 0.070 0.000 1.073 368 L CA 1.393 56.237 54.840 0.007 0.000 0.748 368 L CB -0.563 41.489 42.059 -0.013 0.000 0.891 368 L HN 0.109 nan 8.230 nan 0.000 0.431 369 D N 0.384 120.830 120.400 0.076 0.000 2.116 369 D HA -0.205 4.435 4.640 -0.000 0.000 0.193 369 D C 2.233 178.624 176.300 0.152 0.000 0.998 369 D CA 1.669 55.739 54.000 0.117 0.000 0.836 369 D CB -0.171 40.682 40.800 0.088 0.000 0.951 369 D HN 0.346 nan 8.370 nan 0.000 0.449 370 A N 0.615 123.535 122.820 0.167 0.000 1.883 370 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 370 A C 2.583 180.279 177.584 0.187 0.000 1.186 370 A CA 1.635 53.828 52.037 0.261 0.000 0.624 370 A CB -0.880 18.380 19.000 0.434 0.000 0.822 370 A HN 0.153 nan 8.150 nan 0.000 0.444 371 V N -0.239 119.811 119.914 0.225 0.000 2.287 371 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 371 V C 2.747 178.939 176.094 0.164 0.000 1.053 371 V CA 2.573 64.951 62.300 0.130 0.000 1.027 371 V CB -1.451 30.462 31.823 0.149 0.000 0.646 371 V HN 0.619 nan 8.190 nan 0.000 0.447 372 T N 0.519 115.198 114.554 0.208 0.000 2.635 372 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 372 T C 1.911 176.768 174.700 0.261 0.000 1.040 372 T CA 2.110 64.410 62.100 0.333 0.000 1.156 372 T CB -0.445 68.628 68.868 0.342 0.000 0.863 372 T HN 0.321 nan 8.240 nan 0.000 0.430 373 L N 1.151 122.510 121.223 0.226 0.000 2.079 373 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 373 L C 2.412 179.284 176.870 0.004 0.000 1.081 373 L CA 1.819 56.792 54.840 0.222 0.000 0.752 373 L CB -0.710 41.457 42.059 0.180 0.000 0.896 373 L HN 0.145 nan 8.230 nan 0.000 0.433 374 Q N -1.779 117.910 119.800 -0.184 0.000 2.297 374 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 374 Q C 0.843 176.554 176.000 -0.481 0.000 0.962 374 Q CA 1.588 57.096 55.803 -0.493 0.000 0.879 374 Q CB -0.072 28.019 28.738 -1.078 0.000 0.947 374 Q HN 0.687 nan 8.270 nan 0.000 0.462 375 Y N -1.512 118.726 120.300 -0.104 0.000 2.588 375 Y HA 0.352 4.902 4.550 -0.000 0.000 0.247 375 Y C -0.286 175.551 175.900 -0.105 0.000 1.157 375 Y CA -0.261 57.836 58.100 -0.006 0.000 1.215 375 Y CB 1.120 39.688 38.460 0.180 0.000 1.245 375 Y HN -0.195 nan 8.280 nan 0.000 0.534 376 T N 0.582 115.015 114.554 -0.200 0.000 2.794 376 T HA 0.115 4.465 4.350 -0.000 0.000 0.280 376 T C -0.870 173.489 174.700 -0.568 0.000 0.987 376 T CA -0.636 61.091 62.100 -0.621 0.000 0.993 376 T CB 1.191 69.400 68.868 -1.099 0.000 0.939 376 T HN -0.047 nan 8.240 nan 0.000 0.449 377 D N 1.820 121.929 120.400 -0.486 0.000 2.393 377 D HA 0.116 4.756 4.640 -0.000 0.000 0.232 377 D C 0.129 176.230 176.300 -0.330 0.000 1.192 377 D CA -0.655 53.162 54.000 -0.304 0.000 0.882 377 D CB 0.313 40.998 40.800 -0.192 0.000 1.038 377 D HN 0.612 nan 8.370 nan 0.000 0.499 378 W N 2.921 124.175 121.300 -0.077 0.000 2.611 378 W HA -0.006 4.654 4.660 -0.000 0.000 0.251 378 W C 2.134 178.620 176.519 -0.056 0.000 1.265 378 W CA -0.160 57.145 57.345 -0.068 0.000 1.295 378 W CB -0.084 29.341 29.460 -0.057 0.000 1.129 378 W HN 0.421 nan 8.180 nan 0.000 0.630 379 M N -0.596 119.081 119.600 0.128 0.000 2.394 379 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 379 M C 0.335 176.651 176.300 0.026 0.000 1.073 379 M CA 1.431 56.771 55.300 0.067 0.000 1.111 379 M CB 0.148 32.766 32.600 0.029 0.000 1.401 379 M HN -0.229 nan 8.290 nan 0.000 0.448 380 D N -0.759 119.627 120.400 -0.024 0.000 3.404 380 D HA -0.005 4.635 4.640 -0.000 0.000 0.329 380 D C -0.136 176.086 176.300 -0.131 0.000 1.421 380 D CA 0.057 54.021 54.000 -0.060 0.000 0.742 380 D CB 0.148 40.911 40.800 -0.062 0.000 1.290 380 D HN 0.247 nan 8.370 nan 0.000 0.600 381 D N -1.011 119.303 120.400 -0.142 0.000 2.363 381 D HA -0.054 4.586 4.640 -0.000 0.000 0.220 381 D C 0.632 176.792 176.300 -0.235 0.000 0.994 381 D CA 0.068 53.888 54.000 -0.300 0.000 0.890 381 D CB 0.242 40.861 40.800 -0.301 0.000 0.906 381 D HN 0.146 nan 8.370 nan 0.000 0.530 382 N N 0.521 119.143 118.700 -0.131 0.000 2.203 382 N HA -0.020 4.720 4.740 -0.000 0.000 0.207 382 N C -0.247 175.203 175.510 -0.101 0.000 1.130 382 N CA -0.187 52.803 53.050 -0.101 0.000 0.861 382 N CB 0.180 38.637 38.487 -0.050 0.000 1.005 382 N HN 0.274 nan 8.380 nan 0.000 0.507 383 N N 0.429 119.060 118.700 -0.116 0.000 2.416 383 N HA 0.035 4.775 4.740 -0.000 0.000 0.271 383 N C 1.521 176.963 175.510 -0.113 0.000 1.245 383 N CA -0.178 52.812 53.050 -0.099 0.000 0.940 383 N CB 0.605 39.036 38.487 -0.092 0.000 1.175 383 N HN 0.078 nan 8.380 nan 0.000 0.483 384 G N 3.751 112.492 108.800 -0.098 0.000 2.440 384 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 384 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 384 G C 1.327 176.165 174.900 -0.105 0.000 1.154 384 G CA 0.621 45.653 45.100 -0.112 0.000 0.767 384 G HN 0.653 nan 8.290 nan 0.000 0.552 385 I N 0.198 120.726 120.570 -0.071 0.000 2.163 385 I HA -0.144 4.026 4.170 -0.000 0.000 0.240 385 I C 2.820 178.929 176.117 -0.013 0.000 1.081 385 I CA 1.299 62.579 61.300 -0.033 0.000 1.353 385 I CB -0.215 37.781 38.000 -0.007 0.000 1.054 385 I HN 0.134 nan 8.210 nan 0.000 0.407 386 K N 0.554 120.930 120.400 -0.040 0.000 2.147 386 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 386 K C 1.849 178.415 176.600 -0.058 0.000 1.049 386 K CA 1.250 57.510 56.287 -0.045 0.000 0.936 386 K CB -0.178 32.267 32.500 -0.092 0.000 0.722 386 K HN 0.299 nan 8.250 nan 0.000 0.446 387 N N 0.758 119.393 118.700 -0.109 0.000 2.171 387 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 387 N C 1.692 177.310 175.510 0.180 0.000 1.021 387 N CA 0.868 53.864 53.050 -0.089 0.000 0.854 387 N CB -0.154 38.251 38.487 -0.137 0.000 0.994 387 N HN 0.197 nan 8.380 nan 0.000 0.426 388 R N 1.104 121.642 120.500 0.064 0.000 2.070 388 R HA -0.118 4.222 4.340 -0.000 0.000 0.233 388 R C 0.804 177.258 176.300 0.257 0.000 1.137 388 R CA 1.688 57.848 56.100 0.100 0.000 0.945 388 R CB -0.071 30.191 30.300 -0.062 0.000 0.845 388 R HN 0.085 nan 8.270 nan 0.000 0.430 389 D N -0.631 119.890 120.400 0.201 0.000 2.144 389 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 389 D C 1.730 178.174 176.300 0.240 0.000 0.978 389 D CA 1.416 55.551 54.000 0.224 0.000 0.833 389 D CB -0.516 40.391 40.800 0.177 0.000 0.961 389 D HN 0.521 nan 8.370 nan 0.000 0.470 390 G N 0.860 109.816 108.800 0.260 0.000 2.421 390 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 390 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 390 G C 1.561 176.636 174.900 0.293 0.000 1.171 390 G CA 0.391 45.702 45.100 0.351 0.000 0.775 390 G HN 0.207 nan 8.290 nan 0.000 0.543 391 L N 0.959 122.385 121.223 0.338 0.000 2.027 391 L HA 0.007 4.347 4.340 -0.000 0.000 0.206 391 L C 2.255 179.152 176.870 0.045 0.000 1.074 391 L CA 2.124 57.015 54.840 0.086 0.000 0.745 391 L CB -0.707 41.457 42.059 0.176 0.000 0.898 391 L HN 0.162 nan 8.230 nan 0.000 0.433 392 D N -0.371 120.124 120.400 0.158 0.000 2.127 392 D HA -0.238 4.402 4.640 -0.000 0.000 0.190 392 D C 1.735 178.084 176.300 0.082 0.000 1.000 392 D CA 1.682 55.766 54.000 0.140 0.000 0.839 392 D CB -0.037 40.918 40.800 0.258 0.000 0.955 392 D HN 0.370 nan 8.370 nan 0.000 0.446 393 D N -0.163 120.304 120.400 0.113 0.000 2.104 393 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 393 D C 2.348 178.615 176.300 -0.055 0.000 0.994 393 D CA 0.413 54.485 54.000 0.120 0.000 0.830 393 D CB -0.440 40.533 40.800 0.288 0.000 0.959 393 D HN 0.345 nan 8.370 nan 0.000 0.452 394 I N 0.482 120.852 120.570 -0.333 0.000 2.091 394 I HA -0.330 3.840 4.170 -0.000 0.000 0.240 394 I C 2.439 178.405 176.117 -0.253 0.000 1.046 394 I CA 1.046 62.088 61.300 -0.430 0.000 1.306 394 I CB -0.360 37.385 38.000 -0.424 0.000 1.018 394 I HN -0.064 nan 8.210 nan 0.000 0.404 395 V N 0.802 120.610 119.914 -0.176 0.000 2.343 395 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 395 V C 2.519 178.494 176.094 -0.199 0.000 1.051 395 V CA 2.223 64.427 62.300 -0.161 0.000 1.036 395 V CB -1.361 30.403 31.823 -0.098 0.000 0.654 395 V HN 0.613 nan 8.190 nan 0.000 0.451 396 G N -0.404 108.325 108.800 -0.117 0.000 2.433 396 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 396 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 396 G C 1.257 176.056 174.900 -0.168 0.000 1.186 396 G CA 1.011 46.051 45.100 -0.101 0.000 0.779 396 G HN 0.488 nan 8.290 nan 0.000 0.543 397 D N -0.170 120.141 120.400 -0.148 0.000 2.097 397 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 397 D C 2.122 178.090 176.300 -0.553 0.000 0.989 397 D CA 1.369 55.261 54.000 -0.180 0.000 0.827 397 D CB -0.479 40.363 40.800 0.069 0.000 0.966 397 D HN 0.398 nan 8.370 nan 0.000 0.456 398 H N 0.747 119.193 119.070 -1.041 0.000 2.357 398 H HA 0.029 4.584 4.556 -0.000 0.000 0.301 398 H C 1.499 176.426 175.328 -0.669 0.000 1.082 398 H CA 1.625 56.884 56.048 -1.315 0.000 1.342 398 H CB 0.042 28.945 29.762 -1.431 0.000 1.389 398 H HN -0.008 nan 8.280 nan 0.000 0.511 399 N N -0.880 117.390 118.700 -0.716 0.000 2.405 399 N HA 0.015 4.754 4.740 -0.000 0.000 0.175 399 N C 1.116 176.348 175.510 -0.464 0.000 1.051 399 N CA 0.969 53.539 53.050 -0.800 0.000 0.899 399 N CB 1.143 38.814 38.487 -1.360 0.000 1.000 399 N HN 0.267 nan 8.380 nan 0.000 0.451 400 V N 0.256 119.969 119.914 -0.335 0.000 3.279 400 V HA 0.174 4.294 4.120 -0.000 0.000 0.213 400 V C 1.990 178.018 176.094 -0.111 0.000 1.335 400 V CA -0.046 62.162 62.300 -0.154 0.000 1.317 400 V CB 0.346 32.102 31.823 -0.111 0.000 1.209 400 V HN -0.052 nan 8.190 nan 0.000 0.525 401 I N 0.526 121.042 120.570 -0.090 0.000 2.163 401 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 401 I C 2.500 178.602 176.117 -0.024 0.000 1.081 401 I CA 1.805 63.089 61.300 -0.026 0.000 1.353 401 I CB -0.460 37.560 38.000 0.035 0.000 1.054 401 I HN 0.386 nan 8.210 nan 0.000 0.407 402 c N 0.738 119.312 118.600 -0.043 0.000 2.457 402 c HA -0.005 4.565 4.570 -0.000 0.000 0.278 402 c C 0.281 174.382 174.090 0.018 0.000 1.309 402 c CA 0.453 56.802 56.329 0.033 0.000 1.735 402 c CB -1.845 40.734 42.510 0.115 0.000 1.992 402 c HN 0.342 nan 8.230 nan 0.000 0.493 403 P HA -0.153 nan 4.420 nan 0.000 0.215 403 P C 1.749 179.064 177.300 0.025 0.000 1.157 403 P CA 1.271 64.328 63.100 -0.071 0.000 0.874 403 P CB -0.198 31.368 31.700 -0.224 0.000 0.790 404 L N -2.059 119.157 121.223 -0.012 0.000 2.083 404 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 404 L C 2.065 178.978 176.870 0.070 0.000 1.083 404 L CA 1.645 56.501 54.840 0.027 0.000 0.752 404 L CB -0.452 41.593 42.059 -0.025 0.000 0.899 404 L HN -0.091 nan 8.230 nan 0.000 0.433 405 M N -1.512 118.121 119.600 0.056 0.000 2.349 405 M HA -0.138 4.342 4.480 -0.000 0.000 0.266 405 M C 2.160 178.528 176.300 0.114 0.000 1.076 405 M CA 1.320 56.650 55.300 0.049 0.000 1.126 405 M CB -1.391 31.247 32.600 0.063 0.000 1.392 405 M HN 0.384 nan 8.290 nan 0.000 0.440 406 H N 0.155 119.259 119.070 0.056 0.000 2.321 406 H HA -0.179 4.377 4.556 -0.000 0.000 0.300 406 H C 1.836 177.207 175.328 0.071 0.000 1.087 406 H CA 2.114 58.203 56.048 0.069 0.000 1.319 406 H CB -0.365 29.435 29.762 0.063 0.000 1.379 406 H HN 0.229 nan 8.280 nan 0.000 0.501 407 F N 0.034 119.957 119.950 -0.045 0.000 2.102 407 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 407 F C 2.496 178.222 175.800 -0.123 0.000 1.105 407 F CA 1.566 59.490 58.000 -0.126 0.000 1.239 407 F CB -0.959 37.973 39.000 -0.114 0.000 0.991 407 F HN 0.137 nan 8.300 nan 0.000 0.474 408 V N 1.236 121.035 119.914 -0.192 0.000 2.358 408 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 408 V C 2.198 178.145 176.094 -0.246 0.000 1.047 408 V CA 2.464 64.551 62.300 -0.355 0.000 1.035 408 V CB -0.651 30.916 31.823 -0.425 0.000 0.658 408 V HN 0.442 nan 8.190 nan 0.000 0.452 409 N N 0.001 118.644 118.700 -0.095 0.000 2.166 409 N HA -0.144 4.596 4.740 -0.000 0.000 0.186 409 N C 1.793 177.282 175.510 -0.035 0.000 1.019 409 N CA 1.334 54.414 53.050 0.050 0.000 0.856 409 N CB -0.216 38.334 38.487 0.106 0.000 0.993 409 N HN 0.458 nan 8.380 nan 0.000 0.426 410 K N 0.527 120.824 120.400 -0.171 0.000 2.031 410 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 410 K C 1.975 178.556 176.600 -0.032 0.000 1.049 410 K CA 0.522 56.745 56.287 -0.105 0.000 0.939 410 K CB -0.839 31.549 32.500 -0.187 0.000 0.717 410 K HN 0.259 nan 8.250 nan 0.000 0.438 411 Y N 2.472 122.525 120.300 -0.412 0.000 2.151 411 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 411 Y C 2.155 178.042 175.900 -0.023 0.000 1.166 411 Y CA 1.962 59.809 58.100 -0.420 0.000 1.163 411 Y CB -0.341 37.545 38.460 -0.958 0.000 0.974 411 Y HN 0.020 nan 8.280 nan 0.000 0.511 412 T N 0.378 114.952 114.554 0.032 0.000 3.007 412 T HA -0.116 4.234 4.350 -0.000 0.000 0.270 412 T C 1.606 176.297 174.700 -0.014 0.000 1.107 412 T CA 1.171 63.324 62.100 0.088 0.000 1.118 412 T CB -0.139 68.888 68.868 0.267 0.000 0.889 412 T HN 0.349 nan 8.240 nan 0.000 0.506 413 K N -0.098 120.267 120.400 -0.058 0.000 2.217 413 K HA 0.049 4.369 4.320 -0.000 0.000 0.202 413 K C 1.107 177.390 176.600 -0.529 0.000 1.051 413 K CA 1.040 57.169 56.287 -0.264 0.000 0.952 413 K CB 0.015 32.335 32.500 -0.301 0.000 0.736 413 K HN 0.381 nan 8.250 nan 0.000 0.453 414 F N -0.136 119.755 119.950 -0.099 0.000 2.711 414 F HA 0.206 4.733 4.527 -0.000 0.000 0.296 414 F C 1.566 177.253 175.800 -0.189 0.000 1.096 414 F CA -0.491 57.417 58.000 -0.153 0.000 1.280 414 F CB -0.171 38.685 39.000 -0.240 0.000 1.060 414 F HN -0.104 nan 8.300 nan 0.000 0.608 415 G N 0.007 108.719 108.800 -0.146 0.000 2.712 415 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.258 415 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.258 415 G C 0.428 175.357 174.900 0.048 0.000 1.241 415 G CA -0.249 44.765 45.100 -0.144 0.000 0.923 415 G HN 0.319 nan 8.290 nan 0.000 0.548 416 N N -0.395 118.390 118.700 0.141 0.000 2.238 416 N HA 0.278 5.018 4.740 -0.000 0.000 0.222 416 N C 0.340 175.926 175.510 0.128 0.000 1.133 416 N CA 0.453 53.571 53.050 0.113 0.000 0.854 416 N CB 0.287 38.839 38.487 0.107 0.000 1.041 416 N HN 0.862 nan 8.380 nan 0.000 0.510 417 G N 0.259 109.151 108.800 0.153 0.000 2.249 417 G HA2 0.020 3.980 3.960 -0.000 0.000 0.252 417 G HA3 0.020 3.980 3.960 -0.000 0.000 0.252 417 G C -1.318 173.633 174.900 0.085 0.000 1.697 417 G CA -0.728 44.423 45.100 0.084 0.000 0.916 417 G HN -0.004 nan 8.290 nan 0.000 0.725 418 T N 1.609 116.106 114.554 -0.095 0.000 2.848 418 T HA 0.668 5.018 4.350 -0.000 0.000 0.285 418 T C -1.196 173.274 174.700 -0.382 0.000 0.995 418 T CA -0.287 61.761 62.100 -0.088 0.000 0.970 418 T CB 1.173 70.070 68.868 0.047 0.000 0.976 418 T HN 0.411 nan 8.240 nan 0.000 0.441 419 Y N 2.158 122.390 120.300 -0.113 0.000 2.350 419 Y HA 0.678 5.228 4.550 -0.000 0.000 0.338 419 Y C -0.404 175.545 175.900 0.081 0.000 0.961 419 Y CA -1.151 56.837 58.100 -0.186 0.000 1.100 419 Y CB 1.514 39.410 38.460 -0.938 0.000 1.179 419 Y HN 0.427 nan 8.280 nan 0.000 0.454 420 L N 5.674 127.261 121.223 0.608 0.000 2.346 420 L HA 0.633 4.973 4.340 -0.000 0.000 0.276 420 L C -1.292 176.021 176.870 0.739 0.000 1.006 420 L CA -0.987 54.139 54.840 0.476 0.000 0.817 420 L CB 0.972 43.163 42.059 0.221 0.000 1.272 420 L HN 0.546 nan 8.230 nan 0.000 0.421 421 Y N 3.118 123.725 120.300 0.513 0.000 2.602 421 Y HA 0.748 5.298 4.550 -0.000 0.000 0.342 421 Y C -1.801 174.352 175.900 0.423 0.000 1.029 421 Y CA -2.064 56.279 58.100 0.403 0.000 1.080 421 Y CB 1.373 40.039 38.460 0.344 0.000 1.284 421 Y HN 0.520 nan 8.280 nan 0.000 0.485 422 F N 4.280 124.512 119.950 0.469 0.000 2.646 422 F HA 0.432 4.959 4.527 -0.000 0.000 0.364 422 F C -1.900 174.168 175.800 0.446 0.000 1.137 422 F CA -1.933 56.270 58.000 0.338 0.000 1.085 422 F CB 0.587 39.746 39.000 0.266 0.000 1.331 422 F HN 0.563 nan 8.300 nan 0.000 0.472 423 F N 7.740 127.757 119.950 0.113 0.000 2.444 423 F HA 0.287 4.814 4.527 -0.000 0.000 0.360 423 F C 0.444 176.105 175.800 -0.232 0.000 1.106 423 F CA -0.028 58.000 58.000 0.045 0.000 1.170 423 F CB 0.577 39.700 39.000 0.206 0.000 1.113 423 F HN 0.553 nan 8.300 nan 0.000 0.521 424 N N 3.442 121.716 118.700 -0.709 0.000 2.387 424 N HA 0.040 4.780 4.740 -0.000 0.000 0.259 424 N C -1.203 174.072 175.510 -0.392 0.000 1.369 424 N CA -0.438 52.338 53.050 -0.457 0.000 0.867 424 N CB -0.824 37.534 38.487 -0.216 0.000 1.341 424 N HN 0.614 nan 8.380 nan 0.000 0.495 425 H N 1.170 119.722 119.070 -0.864 0.000 2.652 425 H HA 0.425 4.981 4.556 -0.000 0.000 0.298 425 H C -0.230 174.954 175.328 -0.239 0.000 1.076 425 H CA -0.464 55.257 56.048 -0.546 0.000 1.360 425 H CB 0.810 30.151 29.762 -0.702 0.000 1.421 425 H HN 0.169 nan 8.280 nan 0.000 0.464 426 R N 4.220 124.351 120.500 -0.615 0.000 2.216 426 R HA 0.510 4.850 4.340 -0.000 0.000 0.332 426 R C -0.626 175.375 176.300 -0.499 0.000 1.056 426 R CA -0.475 55.412 56.100 -0.355 0.000 0.901 426 R CB 0.317 30.506 30.300 -0.184 0.000 1.039 426 R HN 0.729 nan 8.270 nan 0.000 0.456 427 A N 3.303 126.101 122.820 -0.037 0.000 2.498 427 A HA 0.087 4.406 4.320 -0.000 0.000 0.239 427 A C 1.299 178.962 177.584 0.132 0.000 1.068 427 A CA 0.306 52.496 52.037 0.255 0.000 0.766 427 A CB 0.328 19.686 19.000 0.597 0.000 1.003 427 A HN 1.071 nan 8.150 nan 0.000 0.497 428 S N 1.512 117.335 115.700 0.204 0.000 2.382 428 S HA -0.198 4.272 4.470 -0.000 0.000 0.228 428 S C 0.986 175.590 174.600 0.006 0.000 1.027 428 S CA 1.366 59.623 58.200 0.095 0.000 0.991 428 S CB -0.497 62.778 63.200 0.126 0.000 0.823 428 S HN 0.957 nan 8.310 nan 0.000 0.469 429 N N 0.976 119.636 118.700 -0.066 0.000 2.327 429 N HA 0.244 4.984 4.740 -0.000 0.000 0.231 429 N C -0.332 175.114 175.510 -0.108 0.000 1.130 429 N CA -0.456 52.502 53.050 -0.155 0.000 0.845 429 N CB -0.597 37.676 38.487 -0.357 0.000 1.073 429 N HN 0.344 nan 8.380 nan 0.000 0.496 430 L N 1.138 122.348 121.223 -0.023 0.000 2.456 430 L HA 0.033 4.373 4.340 -0.000 0.000 0.272 430 L C 1.362 178.197 176.870 -0.059 0.000 1.189 430 L CA 0.074 54.915 54.840 0.002 0.000 0.846 430 L CB 1.199 43.280 42.059 0.036 0.000 1.111 430 L HN 0.209 nan 8.230 nan 0.000 0.475 431 V N -0.078 119.753 119.914 -0.139 0.000 3.660 431 V HA 0.200 4.320 4.120 -0.000 0.000 0.276 431 V C 0.406 176.385 176.094 -0.192 0.000 1.317 431 V CA -0.506 61.662 62.300 -0.220 0.000 1.097 431 V CB -1.056 30.504 31.823 -0.438 0.000 0.863 431 V HN 0.633 nan 8.190 nan 0.000 0.438 432 W N 2.001 123.289 121.300 -0.020 0.000 2.215 432 W HA 0.569 5.229 4.660 -0.000 0.000 0.342 432 W C -1.862 174.572 176.519 -0.141 0.000 1.237 432 W CA -2.114 55.187 57.345 -0.074 0.000 1.283 432 W CB 0.112 29.449 29.460 -0.205 0.000 1.131 432 W HN -0.008 nan 8.180 nan 0.000 0.606 433 P HA 0.046 nan 4.420 nan 0.000 0.274 433 P C 0.040 177.285 177.300 -0.092 0.000 1.237 433 P CA 0.158 63.257 63.100 -0.000 0.000 0.793 433 P CB 1.068 32.808 31.700 0.067 0.000 0.977 434 E N 1.119 121.328 120.200 0.016 0.000 2.114 434 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 434 E C 1.781 178.428 176.600 0.079 0.000 1.008 434 E CA 1.540 57.965 56.400 0.042 0.000 0.810 434 E CB -0.389 29.364 29.700 0.089 0.000 0.739 434 E HN 0.687 nan 8.360 nan 0.000 0.456 435 W N 0.487 121.845 121.300 0.096 0.000 2.364 435 W HA -0.166 4.494 4.660 -0.000 0.000 0.281 435 W C 1.428 178.018 176.519 0.120 0.000 1.219 435 W CA 0.660 58.071 57.345 0.110 0.000 1.220 435 W CB -0.543 28.994 29.460 0.127 0.000 1.127 435 W HN 0.054 nan 8.180 nan 0.000 0.556 436 M N 1.163 120.403 119.600 -0.601 0.000 2.492 436 M HA 0.128 4.608 4.480 -0.000 0.000 0.262 436 M C 1.777 177.949 176.300 -0.214 0.000 1.090 436 M CA 1.571 56.464 55.300 -0.679 0.000 1.110 436 M CB -0.580 31.494 32.600 -0.875 0.000 1.407 436 M HN 0.191 nan 8.290 nan 0.000 0.470 437 G N 0.492 109.231 108.800 -0.102 0.000 2.556 437 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.283 437 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.283 437 G C -0.214 174.670 174.900 -0.026 0.000 1.177 437 G CA -0.249 44.841 45.100 -0.016 0.000 0.978 437 G HN 0.204 nan 8.290 nan 0.000 0.554 438 V N 1.964 121.893 119.914 0.025 0.000 2.322 438 V HA 0.437 4.557 4.120 -0.000 0.000 0.258 438 V C 1.036 177.222 176.094 0.154 0.000 1.074 438 V CA -0.139 62.217 62.300 0.092 0.000 0.909 438 V CB 0.362 32.227 31.823 0.070 0.000 1.090 438 V HN 0.535 nan 8.190 nan 0.000 0.486 439 I N 3.231 123.886 120.570 0.142 0.000 2.638 439 I HA 0.181 4.351 4.170 -0.000 0.000 0.286 439 I C 0.845 177.205 176.117 0.405 0.000 1.088 439 I CA -0.616 60.778 61.300 0.157 0.000 1.397 439 I CB 0.472 38.387 38.000 -0.142 0.000 1.414 439 I HN 0.573 nan 8.210 nan 0.000 0.566 440 H N 4.250 123.486 119.070 0.275 0.000 3.157 440 H HA 0.111 4.667 4.556 -0.000 0.000 0.299 440 H C 0.895 176.356 175.328 0.221 0.000 0.961 440 H CA 0.716 56.936 56.048 0.287 0.000 1.428 440 H CB 0.025 29.997 29.762 0.349 0.000 1.459 440 H HN 0.751 nan 8.280 nan 0.000 0.566 441 G N 3.848 112.729 108.800 0.136 0.000 2.213 441 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.226 441 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.226 441 G C 0.674 175.676 174.900 0.171 0.000 0.992 441 G CA 0.297 45.397 45.100 -0.001 0.000 0.632 441 G HN 0.606 nan 8.290 nan 0.000 0.511 442 Y N 1.647 122.115 120.300 0.280 0.000 2.461 442 Y HA 0.229 4.779 4.550 -0.000 0.000 0.277 442 Y C 2.360 178.400 175.900 0.234 0.000 1.182 442 Y CA 0.945 59.243 58.100 0.331 0.000 1.276 442 Y CB 0.451 39.126 38.460 0.359 0.000 1.087 442 Y HN 0.469 nan 8.280 nan 0.000 0.519 443 E N 0.449 120.646 120.200 -0.005 0.000 2.299 443 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 443 E C 1.667 178.209 176.600 -0.097 0.000 0.998 443 E CA 0.900 56.979 56.400 -0.534 0.000 0.851 443 E CB -0.465 28.633 29.700 -1.003 0.000 0.795 443 E HN 0.540 nan 8.360 nan 0.000 0.492 444 I N 2.546 123.165 120.570 0.081 0.000 2.208 444 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 444 I C 2.644 178.817 176.117 0.093 0.000 1.097 444 I CA 2.058 63.457 61.300 0.165 0.000 1.363 444 I CB -0.462 37.682 38.000 0.239 0.000 1.051 444 I HN 0.232 nan 8.210 nan 0.000 0.413 445 E N 0.791 120.994 120.200 0.005 0.000 2.204 445 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 445 E C 2.028 178.485 176.600 -0.238 0.000 0.990 445 E CA 1.356 57.681 56.400 -0.126 0.000 0.821 445 E CB -0.472 29.142 29.700 -0.142 0.000 0.750 445 E HN 0.430 nan 8.360 nan 0.000 0.477 446 F N 1.332 121.194 119.950 -0.146 0.000 2.149 446 F HA -0.080 4.447 4.527 -0.000 0.000 0.294 446 F C 2.461 178.105 175.800 -0.259 0.000 1.095 446 F CA 0.799 58.676 58.000 -0.205 0.000 1.276 446 F CB -0.266 38.653 39.000 -0.136 0.000 1.023 446 F HN -0.151 nan 8.300 nan 0.000 0.480 447 V N -0.877 118.955 119.914 -0.137 0.000 2.392 447 V HA -0.300 3.819 4.120 -0.000 0.000 0.249 447 V C 1.673 177.602 176.094 -0.274 0.000 1.059 447 V CA 1.666 63.757 62.300 -0.348 0.000 1.051 447 V CB -0.700 30.960 31.823 -0.271 0.000 0.658 447 V HN 0.212 nan 8.190 nan 0.000 0.455 448 F N 0.377 120.198 119.950 -0.215 0.000 2.732 448 F HA 0.412 4.939 4.527 -0.000 0.000 0.303 448 F C 1.794 177.504 175.800 -0.149 0.000 1.110 448 F CA 0.591 58.487 58.000 -0.173 0.000 1.355 448 F CB -0.257 38.620 39.000 -0.205 0.000 1.081 448 F HN 0.259 nan 8.300 nan 0.000 0.565 449 G N 0.106 108.830 108.800 -0.126 0.000 2.153 449 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 449 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 449 G C 1.190 175.796 174.900 -0.489 0.000 0.994 449 G CA 0.406 45.364 45.100 -0.237 0.000 0.698 449 G HN 0.299 nan 8.290 nan 0.000 0.521 450 L N -0.247 120.664 121.223 -0.519 0.000 2.127 450 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 450 L C 0.275 176.748 176.870 -0.661 0.000 1.089 450 L CA 2.462 56.934 54.840 -0.614 0.000 0.757 450 L CB -1.847 39.974 42.059 -0.398 0.000 0.899 450 L HN 0.210 nan 8.230 nan 0.000 0.434 451 P HA -0.121 nan 4.420 nan 0.000 0.225 451 P C 1.917 178.982 177.300 -0.392 0.000 1.148 451 P CA 0.837 63.384 63.100 -0.922 0.000 0.779 451 P CB 0.034 31.043 31.700 -1.151 0.000 0.780 452 L N -1.412 119.584 121.223 -0.378 0.000 2.362 452 L HA -0.030 4.310 4.340 -0.000 0.000 0.219 452 L C 1.187 177.937 176.870 -0.200 0.000 1.134 452 L CA 0.580 55.278 54.840 -0.236 0.000 0.807 452 L CB -0.763 41.197 42.059 -0.166 0.000 0.927 452 L HN -0.057 nan 8.230 nan 0.000 0.447 453 V N -0.016 119.739 119.914 -0.264 0.000 2.353 453 V HA 0.028 4.148 4.120 -0.000 0.000 0.264 453 V C 1.454 177.516 176.094 -0.054 0.000 1.049 453 V CA -0.005 62.203 62.300 -0.154 0.000 0.896 453 V CB 1.440 33.145 31.823 -0.197 0.000 1.025 453 V HN 0.136 nan 8.190 nan 0.000 0.475 454 K N 4.187 124.569 120.400 -0.029 0.000 2.113 454 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 454 K C 1.741 178.336 176.600 -0.009 0.000 1.047 454 K CA 2.484 58.767 56.287 -0.007 0.000 0.928 454 K CB -0.426 32.069 32.500 -0.007 0.000 0.716 454 K HN 0.989 nan 8.250 nan 0.000 0.446 455 E N 0.486 120.675 120.200 -0.019 0.000 2.204 455 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 455 E C 1.887 178.460 176.600 -0.045 0.000 0.990 455 E CA 1.372 57.754 56.400 -0.029 0.000 0.821 455 E CB -0.181 29.503 29.700 -0.027 0.000 0.750 455 E HN 0.409 nan 8.360 nan 0.000 0.477 456 L N 0.067 121.269 121.223 -0.034 0.000 2.465 456 L HA 0.016 4.356 4.340 -0.000 0.000 0.224 456 L C 0.078 176.848 176.870 -0.167 0.000 1.145 456 L CA 0.388 55.187 54.840 -0.068 0.000 0.834 456 L CB -0.596 41.482 42.059 0.031 0.000 0.944 456 L HN 0.256 nan 8.230 nan 0.000 0.451 457 N N -2.076 116.578 118.700 -0.077 0.000 2.861 457 N HA -0.194 4.546 4.740 -0.000 0.000 0.247 457 N C -0.576 174.843 175.510 -0.151 0.000 1.117 457 N CA -0.043 52.947 53.050 -0.100 0.000 0.703 457 N CB -1.074 37.337 38.487 -0.127 0.000 1.052 457 N HN 0.238 nan 8.380 nan 0.000 0.555 458 Y N 0.949 121.221 120.300 -0.046 0.000 2.281 458 Y HA 0.208 4.758 4.550 -0.000 0.000 0.337 458 Y C 1.839 177.746 175.900 0.013 0.000 1.304 458 Y CA 0.230 58.324 58.100 -0.010 0.000 1.465 458 Y CB 0.440 38.866 38.460 -0.056 0.000 1.350 458 Y HN 0.019 nan 8.280 nan 0.000 0.575 459 T N -2.003 112.693 114.554 0.237 0.000 2.816 459 T HA 0.431 4.781 4.350 -0.000 0.000 0.282 459 T C 1.207 175.981 174.700 0.122 0.000 0.993 459 T CA -0.337 61.850 62.100 0.146 0.000 0.994 459 T CB 1.146 70.102 68.868 0.147 0.000 1.025 459 T HN 0.752 nan 8.240 nan 0.000 0.529 460 A N 0.139 123.005 122.820 0.076 0.000 1.940 460 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 460 A C 2.239 179.851 177.584 0.047 0.000 1.176 460 A CA 1.634 53.701 52.037 0.050 0.000 0.631 460 A CB -0.992 18.029 19.000 0.034 0.000 0.814 460 A HN 0.967 nan 8.150 nan 0.000 0.446 461 E N -0.788 119.447 120.200 0.058 0.000 2.208 461 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 461 E C 1.893 178.518 176.600 0.041 0.000 0.988 461 E CA 0.870 57.290 56.400 0.032 0.000 0.828 461 E CB -0.030 29.684 29.700 0.025 0.000 0.763 461 E HN 0.739 nan 8.360 nan 0.000 0.478 462 E N 0.570 120.846 120.200 0.127 0.000 2.112 462 E HA -0.162 4.187 4.350 -0.000 0.000 0.190 462 E C 1.949 178.647 176.600 0.162 0.000 0.979 462 E CA 0.515 57.090 56.400 0.292 0.000 0.814 462 E CB 0.133 30.113 29.700 0.466 0.000 0.762 462 E HN 0.217 nan 8.360 nan 0.000 0.460 463 E N 1.036 121.256 120.200 0.034 0.000 2.038 463 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 463 E C 2.045 178.635 176.600 -0.016 0.000 1.000 463 E CA 1.265 57.638 56.400 -0.045 0.000 0.803 463 E CB -0.117 29.563 29.700 -0.032 0.000 0.750 463 E HN 0.194 nan 8.360 nan 0.000 0.448 464 A N 1.033 123.854 122.820 0.002 0.000 1.940 464 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 464 A C 2.191 179.769 177.584 -0.011 0.000 1.176 464 A CA 1.580 53.609 52.037 -0.013 0.000 0.631 464 A CB -0.774 18.216 19.000 -0.016 0.000 0.814 464 A HN 0.435 nan 8.150 nan 0.000 0.446 465 L N -0.283 120.954 121.223 0.024 0.000 2.046 465 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 465 L C 2.570 179.498 176.870 0.096 0.000 1.077 465 L CA 2.648 57.500 54.840 0.020 0.000 0.747 465 L CB -0.769 41.242 42.059 -0.080 0.000 0.896 465 L HN 0.346 nan 8.230 nan 0.000 0.432 466 S N -0.832 114.975 115.700 0.179 0.000 2.387 466 S HA -0.152 4.318 4.470 -0.000 0.000 0.226 466 S C 2.184 176.763 174.600 -0.036 0.000 1.026 466 S CA 1.030 59.291 58.200 0.103 0.000 0.972 466 S CB -0.213 62.920 63.200 -0.112 0.000 0.814 466 S HN 0.535 nan 8.310 nan 0.000 0.477 467 R N 0.327 120.800 120.500 -0.044 0.000 2.096 467 R HA 0.068 4.408 4.340 -0.000 0.000 0.235 467 R C 2.725 178.984 176.300 -0.070 0.000 1.127 467 R CA 1.510 57.580 56.100 -0.050 0.000 0.968 467 R CB -0.204 30.072 30.300 -0.040 0.000 0.861 467 R HN 0.375 nan 8.270 nan 0.000 0.440 468 R N 0.188 120.617 120.500 -0.118 0.000 2.075 468 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 468 R C 2.259 178.382 176.300 -0.295 0.000 1.126 468 R CA 1.161 57.094 56.100 -0.279 0.000 0.963 468 R CB -0.247 29.862 30.300 -0.319 0.000 0.858 468 R HN 0.200 nan 8.270 nan 0.000 0.435 469 I N 0.629 121.130 120.570 -0.115 0.000 2.142 469 I HA -0.327 3.843 4.170 -0.000 0.000 0.240 469 I C 2.423 178.469 176.117 -0.119 0.000 1.078 469 I CA 1.500 62.745 61.300 -0.090 0.000 1.343 469 I CB -0.156 37.689 38.000 -0.258 0.000 1.046 469 I HN 0.200 nan 8.210 nan 0.000 0.405 470 M N -0.772 118.739 119.600 -0.148 0.000 2.108 470 M HA -0.288 4.192 4.480 -0.000 0.000 0.261 470 M C 2.385 178.711 176.300 0.043 0.000 1.066 470 M CA 1.942 57.177 55.300 -0.109 0.000 1.107 470 M CB -0.845 31.687 32.600 -0.114 0.000 1.356 470 M HN 0.293 nan 8.290 nan 0.000 0.406 471 H N -0.785 118.272 119.070 -0.023 0.000 2.389 471 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 471 H C 1.716 177.146 175.328 0.170 0.000 1.081 471 H CA 1.770 57.827 56.048 0.015 0.000 1.345 471 H CB 0.220 29.942 29.762 -0.065 0.000 1.393 471 H HN 0.258 nan 8.280 nan 0.000 0.520 472 Y N -0.826 119.722 120.300 0.413 0.000 2.181 472 Y HA -0.252 4.298 4.550 -0.000 0.000 0.288 472 Y C 2.347 178.519 175.900 0.453 0.000 1.146 472 Y CA 0.896 59.275 58.100 0.465 0.000 1.164 472 Y CB -0.889 37.991 38.460 0.700 0.000 0.982 472 Y HN 0.411 nan 8.280 nan 0.000 0.515 473 W N -0.670 120.772 121.300 0.236 0.000 2.381 473 W HA -0.175 4.485 4.660 -0.000 0.000 0.301 473 W C 2.511 179.055 176.519 0.041 0.000 1.205 473 W CA 1.017 58.424 57.345 0.104 0.000 1.285 473 W CB -0.346 29.107 29.460 -0.010 0.000 1.133 473 W HN 0.038 nan 8.180 nan 0.000 0.521 474 A N -0.068 122.866 122.820 0.190 0.000 1.929 474 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 474 A C 1.811 179.377 177.584 -0.029 0.000 1.176 474 A CA 2.005 54.041 52.037 -0.002 0.000 0.628 474 A CB -1.121 17.811 19.000 -0.113 0.000 0.816 474 A HN 0.162 nan 8.150 nan 0.000 0.444 475 T N -0.577 113.982 114.554 0.009 0.000 2.746 475 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 475 T C 1.613 176.335 174.700 0.035 0.000 1.039 475 T CA 1.576 63.704 62.100 0.046 0.000 1.142 475 T CB -0.391 68.602 68.868 0.208 0.000 0.866 475 T HN 0.509 nan 8.240 nan 0.000 0.444 476 F N 2.402 122.325 119.950 -0.045 0.000 2.113 476 F HA 0.048 4.575 4.527 -0.000 0.000 0.297 476 F C 2.474 178.221 175.800 -0.088 0.000 1.103 476 F CA 0.991 58.911 58.000 -0.134 0.000 1.248 476 F CB -0.779 38.075 39.000 -0.243 0.000 0.999 476 F HN 0.135 nan 8.300 nan 0.000 0.475 477 A N 0.401 123.158 122.820 -0.105 0.000 1.917 477 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 477 A C 2.207 179.671 177.584 -0.199 0.000 1.182 477 A CA 2.237 54.173 52.037 -0.169 0.000 0.633 477 A CB -0.788 18.178 19.000 -0.058 0.000 0.819 477 A HN 0.522 nan 8.150 nan 0.000 0.448 478 K N -1.445 118.869 120.400 -0.143 0.000 2.155 478 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 478 K C 1.579 178.102 176.600 -0.129 0.000 1.052 478 K CA 1.605 57.828 56.287 -0.108 0.000 0.948 478 K CB 0.023 32.481 32.500 -0.070 0.000 0.728 478 K HN 0.729 nan 8.250 nan 0.000 0.448 479 T N -5.818 108.625 114.554 -0.185 0.000 3.080 479 T HA 0.231 4.581 4.350 -0.000 0.000 0.280 479 T C 1.161 175.745 174.700 -0.194 0.000 0.926 479 T CA 0.237 62.251 62.100 -0.142 0.000 0.883 479 T CB 1.025 69.853 68.868 -0.067 0.000 1.194 479 T HN 0.201 nan 8.240 nan 0.000 0.541 480 G N 1.730 110.283 108.800 -0.410 0.000 2.159 480 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.256 480 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.256 480 G C -0.174 174.658 174.900 -0.112 0.000 0.977 480 G CA 0.117 44.950 45.100 -0.445 0.000 0.652 480 G HN 0.917 nan 8.290 nan 0.000 0.531 481 N N -0.389 118.237 118.700 -0.124 0.000 2.519 481 N HA 0.450 5.190 4.740 -0.000 0.000 0.291 481 N C -1.636 173.757 175.510 -0.196 0.000 1.107 481 N CA -1.685 51.274 53.050 -0.151 0.000 0.904 481 N CB 2.231 40.720 38.487 0.003 0.000 1.500 481 N HN -0.070 nan 8.380 nan 0.000 0.510 482 P HA -0.007 nan 4.420 nan 0.000 0.230 482 P C -0.542 176.863 177.300 0.174 0.000 1.158 482 P CA 0.589 63.618 63.100 -0.119 0.000 0.769 482 P CB 0.293 31.705 31.700 -0.479 0.000 0.807 483 N N 0.997 119.739 118.700 0.070 0.000 2.473 483 N HA 0.149 4.889 4.740 -0.000 0.000 0.291 483 N C -0.207 175.393 175.510 0.150 0.000 1.083 483 N CA -0.321 52.845 53.050 0.193 0.000 0.951 483 N CB 1.203 39.779 38.487 0.149 0.000 1.164 483 N HN 0.030 nan 8.380 nan 0.000 0.480 484 E N 1.938 122.229 120.200 0.151 0.000 2.129 484 E HA 0.219 4.569 4.350 -0.000 0.000 0.283 484 E C -1.785 174.867 176.600 0.086 0.000 1.080 484 E CA -1.247 55.218 56.400 0.107 0.000 0.867 484 E CB 0.522 30.274 29.700 0.087 0.000 1.056 484 E HN 0.351 nan 8.360 nan 0.000 0.404 491 K N 2.268 122.775 120.400 0.179 0.000 2.265 491 K HA 0.312 4.632 4.320 -0.000 0.000 0.267 491 K C -0.745 176.032 176.600 0.295 0.000 0.994 491 K CA -0.581 55.843 56.287 0.230 0.000 0.860 491 K CB 0.815 33.425 32.500 0.183 0.000 1.099 491 K HN 0.655 nan 8.250 nan 0.000 0.448 492 W N 7.433 128.797 121.300 0.106 0.000 2.529 492 W HA 0.153 4.813 4.660 -0.000 0.000 0.319 492 W C -2.264 174.393 176.519 0.231 0.000 1.362 492 W CA -2.197 55.214 57.345 0.109 0.000 1.348 492 W CB -0.051 29.377 29.460 -0.053 0.000 1.403 492 W HN 0.372 nan 8.180 nan 0.000 0.519 493 P HA 0.048 nan 4.420 nan 0.000 0.279 493 P C -0.438 177.093 177.300 0.385 0.000 1.252 493 P CA -0.678 62.656 63.100 0.391 0.000 0.811 493 P CB 1.330 33.180 31.700 0.250 0.000 1.035 494 L N 2.363 123.666 121.223 0.132 0.000 2.490 494 L HA 0.092 4.432 4.340 -0.000 0.000 0.274 494 L C 0.311 177.186 176.870 0.008 0.000 1.201 494 L CA -0.241 54.481 54.840 -0.197 0.000 0.869 494 L CB -1.397 40.551 42.059 -0.184 0.000 1.123 494 L HN 0.305 nan 8.230 nan 0.000 0.484 495 F N 4.123 123.993 119.950 -0.133 0.000 2.472 495 F HA 0.371 4.898 4.527 -0.000 0.000 0.364 495 F C 0.600 176.376 175.800 -0.040 0.000 1.090 495 F CA -0.249 57.748 58.000 -0.004 0.000 1.188 495 F CB 0.522 39.546 39.000 0.041 0.000 1.105 495 F HN 0.637 nan 8.300 nan 0.000 0.536 496 T N 1.216 115.468 114.554 -0.504 0.000 2.930 496 T HA 0.290 4.640 4.350 -0.000 0.000 0.290 496 T C 0.863 175.283 174.700 -0.467 0.000 1.052 496 T CA -0.434 61.475 62.100 -0.318 0.000 1.017 496 T CB 1.537 70.294 68.868 -0.185 0.000 1.137 496 T HN 0.499 nan 8.240 nan 0.000 0.511 497 T N 0.350 114.782 114.554 -0.204 0.000 2.746 497 T HA -0.045 4.305 4.350 -0.000 0.000 0.267 497 T C 1.819 176.430 174.700 -0.148 0.000 1.039 497 T CA 1.185 63.206 62.100 -0.133 0.000 1.142 497 T CB -0.280 68.548 68.868 -0.067 0.000 0.866 497 T HN 0.616 nan 8.240 nan 0.000 0.444 498 K N 0.752 121.069 120.400 -0.137 0.000 1.973 498 K HA -0.088 4.232 4.320 -0.000 0.000 0.212 498 K C 2.178 178.700 176.600 -0.130 0.000 1.047 498 K CA 1.409 57.633 56.287 -0.106 0.000 0.937 498 K CB -0.002 32.449 32.500 -0.081 0.000 0.721 498 K HN 0.362 nan 8.250 nan 0.000 0.440 499 E N 0.115 120.212 120.200 -0.172 0.000 2.340 499 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 499 E C -0.137 176.356 176.600 -0.179 0.000 0.996 499 E CA 0.015 56.334 56.400 -0.135 0.000 0.869 499 E CB 0.413 30.056 29.700 -0.095 0.000 0.835 499 E HN 0.290 nan 8.360 nan 0.000 0.493 500 Q N 1.075 120.616 119.800 -0.431 0.000 2.434 500 Q HA -0.199 4.141 4.340 -0.000 0.000 0.299 500 Q C -0.744 175.229 176.000 -0.045 0.000 1.286 500 Q CA 0.656 56.099 55.803 -0.601 0.000 0.872 500 Q CB -1.364 27.255 28.738 -0.199 0.000 1.193 500 Q HN 0.162 nan 8.270 nan 0.000 0.466 501 K N 0.587 120.980 120.400 -0.012 0.000 2.270 501 K HA 0.495 4.815 4.320 -0.000 0.000 0.276 501 K C 0.018 176.949 176.600 0.551 0.000 1.023 501 K CA 0.145 56.566 56.287 0.223 0.000 0.955 501 K CB 0.456 33.028 32.500 0.120 0.000 0.975 501 K HN 0.232 nan 8.250 nan 0.000 0.471 502 F N 0.301 120.435 119.950 0.308 0.000 2.715 502 F HA 0.652 5.178 4.527 -0.000 0.000 0.318 502 F C -0.966 174.963 175.800 0.215 0.000 1.141 502 F CA -1.555 56.644 58.000 0.332 0.000 0.950 502 F CB 0.828 40.010 39.000 0.305 0.000 1.374 502 F HN 0.365 nan 8.300 nan 0.000 0.477 503 I N -0.798 119.913 120.570 0.236 0.000 2.740 503 I HA 0.590 4.760 4.170 -0.000 0.000 0.303 503 I C -1.162 175.098 176.117 0.238 0.000 1.044 503 I CA -0.964 60.333 61.300 -0.005 0.000 1.064 503 I CB 1.884 39.681 38.000 -0.339 0.000 1.249 503 I HN 0.421 nan 8.210 nan 0.000 0.433 504 D N 3.855 124.396 120.400 0.235 0.000 2.341 504 D HA 0.397 5.037 4.640 -0.000 0.000 0.245 504 D C -0.737 175.639 176.300 0.126 0.000 1.106 504 D CA 0.088 54.264 54.000 0.294 0.000 0.905 504 D CB 1.752 42.721 40.800 0.283 0.000 1.202 504 D HN 0.201 nan 8.370 nan 0.000 0.426 505 L N 3.033 124.327 121.223 0.119 0.000 2.318 505 L HA 0.323 4.663 4.340 -0.000 0.000 0.277 505 L C -0.288 176.504 176.870 -0.131 0.000 1.008 505 L CA -0.509 54.362 54.840 0.052 0.000 0.846 505 L CB 0.116 42.294 42.059 0.197 0.000 1.220 505 L HN 0.501 nan 8.230 nan 0.000 0.423 506 N N -0.487 118.134 118.700 -0.132 0.000 3.378 506 N HA 0.233 4.973 4.740 -0.000 0.000 0.294 506 N C 0.384 175.777 175.510 -0.195 0.000 1.544 506 N CA -0.075 52.837 53.050 -0.230 0.000 0.872 506 N CB 0.324 38.740 38.487 -0.119 0.000 1.670 506 N HN 0.121 nan 8.380 nan 0.000 0.551 507 T N -3.416 110.999 114.554 -0.232 0.000 3.160 507 T HA 0.140 4.490 4.350 -0.000 0.000 0.257 507 T C -0.115 174.552 174.700 -0.055 0.000 1.147 507 T CA 0.490 62.494 62.100 -0.161 0.000 1.064 507 T CB -0.591 68.174 68.868 -0.172 0.000 0.949 507 T HN 0.528 nan 8.240 nan 0.000 0.526 508 E N 1.894 122.078 120.200 -0.025 0.000 2.250 508 E HA 0.424 4.774 4.350 -0.000 0.000 0.269 508 E C -2.589 174.016 176.600 0.008 0.000 1.018 508 E CA -2.693 53.709 56.400 0.003 0.000 0.873 508 E CB 0.370 30.083 29.700 0.022 0.000 1.134 508 E HN 0.134 nan 8.360 nan 0.000 0.403 509 P HA -0.146 nan 4.420 nan 0.000 0.264 509 P C -0.508 176.804 177.300 0.019 0.000 1.179 509 P CA 0.513 63.623 63.100 0.018 0.000 0.763 509 P CB 0.369 32.077 31.700 0.013 0.000 0.806 510 M N 3.141 122.757 119.600 0.027 0.000 2.260 510 M HA -0.009 4.471 4.480 -0.000 0.000 0.348 510 M C -0.211 176.081 176.300 -0.014 0.000 1.342 510 M CA 1.014 56.326 55.300 0.020 0.000 1.040 510 M CB 0.023 32.647 32.600 0.039 0.000 1.810 510 M HN 0.189 nan 8.290 nan 0.000 0.453 511 K N 3.964 124.346 120.400 -0.031 0.000 2.270 511 K HA 0.556 4.876 4.320 -0.000 0.000 0.255 511 K C -1.386 175.107 176.600 -0.178 0.000 0.936 511 K CA -0.880 55.324 56.287 -0.138 0.000 0.809 511 K CB 2.280 34.674 32.500 -0.177 0.000 1.131 511 K HN 0.475 nan 8.250 nan 0.000 0.427 512 V N 3.962 123.724 119.914 -0.254 0.000 2.472 512 V HA 0.317 4.437 4.120 -0.000 0.000 0.290 512 V C -0.003 175.825 176.094 -0.443 0.000 1.037 512 V CA -0.506 61.655 62.300 -0.231 0.000 0.908 512 V CB 1.032 32.790 31.823 -0.108 0.000 0.985 512 V HN 0.740 nan 8.190 nan 0.000 0.454 513 H N 2.772 121.522 119.070 -0.534 0.000 2.906 513 H HA 0.598 5.154 4.556 -0.000 0.000 0.337 513 H C -1.155 173.884 175.328 -0.482 0.000 1.257 513 H CA -0.828 54.878 56.048 -0.570 0.000 1.192 513 H CB 2.463 31.663 29.762 -0.937 0.000 1.912 513 H HN 0.540 nan 8.280 nan 0.000 0.573 514 Q N 0.428 120.219 119.800 -0.015 0.000 2.397 514 Q HA 0.362 4.702 4.340 -0.000 0.000 0.275 514 Q C -0.734 175.488 176.000 0.370 0.000 1.090 514 Q CA -0.825 55.082 55.803 0.174 0.000 0.809 514 Q CB 2.858 31.645 28.738 0.081 0.000 1.362 514 Q HN 0.473 nan 8.270 nan 0.000 0.431 515 R N 1.042 121.782 120.500 0.401 0.000 3.076 515 R HA -0.197 4.143 4.340 -0.000 0.000 0.261 515 R C -0.678 175.767 176.300 0.241 0.000 0.930 515 R CA -0.171 56.098 56.100 0.282 0.000 0.649 515 R CB -1.397 29.006 30.300 0.172 0.000 1.350 515 R HN 0.469 nan 8.270 nan 0.000 0.453 516 L N 1.994 123.285 121.223 0.113 0.000 2.584 516 L HA 0.010 4.350 4.340 -0.000 0.000 0.272 516 L C 0.986 177.792 176.870 -0.106 0.000 1.195 516 L CA 0.775 55.443 54.840 -0.287 0.000 0.920 516 L CB -0.044 41.471 42.059 -0.907 0.000 1.173 516 L HN 0.495 nan 8.230 nan 0.000 0.489 517 R N 1.995 122.448 120.500 -0.078 0.000 3.610 517 R HA -0.195 4.145 4.340 -0.000 0.000 0.274 517 R C 1.177 177.529 176.300 0.087 0.000 1.123 517 R CA 0.670 56.781 56.100 0.019 0.000 0.747 517 R CB -2.087 28.241 30.300 0.047 0.000 1.149 517 R HN 0.763 nan 8.270 nan 0.000 0.471 518 V N -2.775 117.190 119.914 0.085 0.000 2.407 518 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 518 V C 2.279 178.439 176.094 0.110 0.000 1.055 518 V CA 2.148 64.513 62.300 0.107 0.000 1.049 518 V CB -0.458 31.423 31.823 0.096 0.000 0.662 518 V HN 0.289 nan 8.190 nan 0.000 0.455 519 Q N -0.077 119.773 119.800 0.083 0.000 2.020 519 Q HA -0.138 4.201 4.340 -0.000 0.000 0.202 519 Q C 2.149 178.201 176.000 0.087 0.000 0.982 519 Q CA 2.028 57.865 55.803 0.055 0.000 0.838 519 Q CB -0.356 28.388 28.738 0.010 0.000 0.899 519 Q HN 0.496 nan 8.270 nan 0.000 0.423 520 M N -0.982 118.694 119.600 0.127 0.000 2.254 520 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 520 M C 2.262 178.819 176.300 0.429 0.000 1.066 520 M CA 0.761 56.205 55.300 0.240 0.000 1.123 520 M CB -1.080 31.722 32.600 0.337 0.000 1.388 520 M HN 0.334 nan 8.290 nan 0.000 0.425 521 c N -0.448 118.353 118.600 0.336 0.000 2.446 521 c HA -0.032 4.538 4.570 -0.000 0.000 0.279 521 c C 2.893 177.151 174.090 0.281 0.000 1.366 521 c CA 0.201 56.734 56.329 0.341 0.000 1.763 521 c CB -0.901 41.749 42.510 0.233 0.000 1.929 521 c HN 0.312 nan 8.230 nan 0.000 0.509 522 V N 0.726 120.772 119.914 0.220 0.000 2.295 522 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 522 V C 2.079 178.290 176.094 0.194 0.000 1.049 522 V CA 2.409 64.814 62.300 0.176 0.000 1.024 522 V CB -0.853 31.045 31.823 0.125 0.000 0.648 522 V HN 0.552 nan 8.190 nan 0.000 0.447 523 F N -0.087 119.889 119.950 0.043 0.000 2.069 523 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 523 F C 2.043 177.829 175.800 -0.023 0.000 1.113 523 F CA 1.857 59.839 58.000 -0.030 0.000 1.214 523 F CB -0.463 38.397 39.000 -0.232 0.000 0.978 523 F HN 0.162 nan 8.300 nan 0.000 0.474 524 W N 0.443 121.826 121.300 0.139 0.000 2.388 524 W HA -0.123 4.537 4.660 -0.000 0.000 0.294 524 W C 2.072 178.545 176.519 -0.078 0.000 1.212 524 W CA 0.888 58.225 57.345 -0.013 0.000 1.271 524 W CB -0.432 29.144 29.460 0.193 0.000 1.126 524 W HN -0.014 nan 8.180 nan 0.000 0.535 525 N N -0.963 117.845 118.700 0.182 0.000 2.388 525 N HA -0.006 4.734 4.740 -0.000 0.000 0.176 525 N C 1.363 176.872 175.510 -0.003 0.000 1.062 525 N CA 0.866 53.943 53.050 0.046 0.000 0.895 525 N CB 0.036 38.570 38.487 0.079 0.000 1.018 525 N HN 0.356 nan 8.380 nan 0.000 0.456 526 Q N -1.401 118.413 119.800 0.023 0.000 2.619 526 Q HA 0.215 4.555 4.340 -0.000 0.000 0.230 526 Q C 1.053 177.053 176.000 -0.001 0.000 0.871 526 Q CA -0.042 55.781 55.803 0.033 0.000 0.934 526 Q CB 0.244 29.034 28.738 0.086 0.000 1.183 526 Q HN 0.140 nan 8.270 nan 0.000 0.631 527 F N 1.428 121.276 119.950 -0.171 0.000 2.147 527 F HA -0.032 4.495 4.527 -0.000 0.000 0.291 527 F C 1.902 177.493 175.800 -0.348 0.000 1.093 527 F CA 0.660 58.527 58.000 -0.221 0.000 1.263 527 F CB -0.111 38.779 39.000 -0.183 0.000 1.036 527 F HN 0.026 nan 8.300 nan 0.000 0.481 528 L N 1.440 122.239 121.223 -0.706 0.000 2.083 528 L HA -0.030 4.309 4.340 -0.000 0.000 0.209 528 L C -1.030 175.526 176.870 -0.525 0.000 1.083 528 L CA 2.025 56.367 54.840 -0.830 0.000 0.752 528 L CB -1.766 39.699 42.059 -0.989 0.000 0.899 528 L HN -0.014 nan 8.230 nan 0.000 0.433 529 P HA -0.148 nan 4.420 nan 0.000 0.218 529 P C 1.268 178.431 177.300 -0.229 0.000 1.149 529 P CA 1.540 64.509 63.100 -0.217 0.000 0.817 529 P CB -0.003 31.616 31.700 -0.134 0.000 0.785 530 K N -0.948 119.287 120.400 -0.276 0.000 2.097 530 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 530 K C 1.906 178.319 176.600 -0.310 0.000 1.050 530 K CA 0.916 57.057 56.287 -0.243 0.000 0.938 530 K CB -0.780 31.604 32.500 -0.194 0.000 0.718 530 K HN 0.073 nan 8.250 nan 0.000 0.442 531 L N 1.375 122.298 121.223 -0.501 0.000 2.027 531 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 531 L C 1.790 178.495 176.870 -0.274 0.000 1.074 531 L CA 1.591 56.157 54.840 -0.456 0.000 0.745 531 L CB -0.356 41.297 42.059 -0.678 0.000 0.898 531 L HN 0.110 nan 8.230 nan 0.000 0.433 532 L N -0.393 120.671 121.223 -0.265 0.000 2.291 532 L HA -0.131 4.209 4.340 -0.000 0.000 0.214 532 L C 2.106 178.900 176.870 -0.126 0.000 1.120 532 L CA 0.978 55.708 54.840 -0.184 0.000 0.799 532 L CB -0.652 41.294 42.059 -0.188 0.000 0.925 532 L HN 0.392 nan 8.230 nan 0.000 0.446 533 N N 0.345 118.968 118.700 -0.128 0.000 2.354 533 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 533 N C 1.765 177.230 175.510 -0.074 0.000 1.021 533 N CA 1.158 54.156 53.050 -0.087 0.000 0.887 533 N CB 0.126 38.563 38.487 -0.083 0.000 0.974 533 N HN 0.246 nan 8.380 nan 0.000 0.437 534 A N -0.661 122.105 122.820 -0.089 0.000 1.929 534 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 534 A C 1.293 178.845 177.584 -0.053 0.000 1.176 534 A CA 1.428 53.425 52.037 -0.067 0.000 0.628 534 A CB -0.867 18.088 19.000 -0.074 0.000 0.816 534 A HN 0.455 nan 8.150 nan 0.000 0.444 535 T N 0.000 114.516 114.554 -0.063 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 535 T CA 0.000 62.069 62.100 -0.051 0.000 1.349 535 T CB 0.000 68.830 68.868 -0.063 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658