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 2vt6_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 EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.645 174.600 0.075 0.000 1.055 4 S CA 0.000 58.230 58.200 0.050 0.000 1.107 4 S CB 0.000 63.233 63.200 0.055 0.000 0.593 5 E N 2.797 123.050 120.200 0.089 0.000 2.216 5 E HA 0.077 4.426 4.350 -0.000 0.000 0.192 5 E C 1.067 177.801 176.600 0.222 0.000 0.988 5 E CA 0.851 57.331 56.400 0.133 0.000 0.834 5 E CB 0.012 29.782 29.700 0.117 0.000 0.772 5 E HN 0.740 nan 8.360 nan 0.000 0.479 6 L N 0.772 122.101 121.223 0.177 0.000 2.567 6 L HA 0.156 4.496 4.340 -0.000 0.000 0.225 6 L C 0.291 177.345 176.870 0.308 0.000 1.119 6 L CA -0.325 54.638 54.840 0.205 0.000 0.871 6 L CB 0.415 42.494 42.059 0.033 0.000 1.036 6 L HN 0.142 nan 8.230 nan 0.000 0.459 7 L N 1.075 122.429 121.223 0.219 0.000 2.276 7 L HA 0.483 4.822 4.340 -0.000 0.000 0.286 7 L C -0.608 176.332 176.870 0.117 0.000 1.024 7 L CA -0.217 54.735 54.840 0.187 0.000 0.826 7 L CB 1.251 43.376 42.059 0.109 0.000 1.211 7 L HN -0.316 nan 8.230 nan 0.000 0.422 8 V N 4.745 124.724 119.914 0.109 0.000 2.555 8 V HA 0.490 4.610 4.120 -0.000 0.000 0.302 8 V C -0.414 175.607 176.094 -0.122 0.000 1.038 8 V CA -0.795 61.417 62.300 -0.145 0.000 0.887 8 V CB 2.060 33.542 31.823 -0.569 0.000 0.991 8 V HN 0.803 nan 8.190 nan 0.000 0.434 9 N N 2.548 121.091 118.700 -0.261 0.000 2.424 9 N HA 0.543 5.283 4.740 -0.000 0.000 0.271 9 N C -0.238 174.949 175.510 -0.538 0.000 0.985 9 N CA -0.199 52.675 53.050 -0.293 0.000 0.921 9 N CB 1.536 39.846 38.487 -0.295 0.000 1.149 9 N HN 0.893 nan 8.380 nan 0.000 0.492 10 T N 0.132 114.485 114.554 -0.335 0.000 2.937 10 T HA 0.360 4.710 4.350 -0.000 0.000 0.283 10 T C 0.889 175.385 174.700 -0.339 0.000 1.012 10 T CA -0.627 61.282 62.100 -0.318 0.000 0.997 10 T CB 1.003 69.934 68.868 0.105 0.000 1.136 10 T HN 0.409 nan 8.240 nan 0.000 0.551 11 K N 0.195 120.464 120.400 -0.218 0.000 2.574 11 K HA 0.060 4.380 4.320 -0.000 0.000 0.193 11 K C 1.232 177.714 176.600 -0.195 0.000 1.035 11 K CA 0.559 56.744 56.287 -0.170 0.000 0.982 11 K CB -0.039 32.417 32.500 -0.073 0.000 0.795 11 K HN 0.447 nan 8.250 nan 0.000 0.491 12 S N -0.626 114.909 115.700 -0.276 0.000 2.632 12 S HA 0.241 4.711 4.470 -0.000 0.000 0.237 12 S C 0.223 174.157 174.600 -1.111 0.000 1.037 12 S CA -0.002 57.922 58.200 -0.460 0.000 1.009 12 S CB 1.605 64.681 63.200 -0.206 0.000 0.974 12 S HN 0.495 nan 8.310 nan 0.000 0.544 13 G N 1.304 109.554 108.800 -0.917 0.000 2.359 13 G HA2 0.148 4.107 3.960 -0.000 0.000 0.314 13 G HA3 0.148 4.107 3.960 -0.000 0.000 0.314 13 G C -1.763 172.950 174.900 -0.311 0.000 1.364 13 G CA -1.132 43.374 45.100 -0.989 0.000 0.978 13 G HN 0.068 nan 8.290 nan 0.000 0.615 14 K N -0.576 119.841 120.400 0.028 0.000 2.237 14 K HA 0.595 4.915 4.320 -0.000 0.000 0.270 14 K C -0.221 176.729 176.600 0.584 0.000 1.015 14 K CA -0.410 56.023 56.287 0.242 0.000 0.949 14 K CB 1.667 34.270 32.500 0.173 0.000 0.976 14 K HN 0.349 nan 8.250 nan 0.000 0.472 15 V N 3.178 123.381 119.914 0.482 0.000 2.823 15 V HA 0.370 4.490 4.120 -0.000 0.000 0.312 15 V C -0.905 175.478 176.094 0.481 0.000 1.072 15 V CA -0.982 61.665 62.300 0.578 0.000 0.937 15 V CB 1.826 34.034 31.823 0.643 0.000 1.013 15 V HN 0.711 nan 8.190 nan 0.000 0.430 16 M N 3.620 123.479 119.600 0.432 0.000 2.085 16 M HA 0.745 5.225 4.480 -0.000 0.000 0.309 16 M C 0.051 176.466 176.300 0.191 0.000 0.947 16 M CA -0.063 55.413 55.300 0.293 0.000 0.918 16 M CB 0.937 33.642 32.600 0.174 0.000 1.504 16 M HN 0.747 nan 8.290 nan 0.000 0.420 17 G N 1.580 110.392 108.800 0.020 0.000 2.525 17 G HA2 0.617 4.577 3.960 -0.000 0.000 0.287 17 G HA3 0.617 4.577 3.960 -0.000 0.000 0.287 17 G C -0.992 173.687 174.900 -0.368 0.000 1.350 17 G CA -0.351 44.395 45.100 -0.589 0.000 1.039 17 G HN 0.682 nan 8.290 nan 0.000 0.513 18 T N -1.662 112.635 114.554 -0.429 0.000 2.906 18 T HA 0.540 4.889 4.350 -0.000 0.000 0.295 18 T C -0.572 174.013 174.700 -0.190 0.000 1.061 18 T CA -0.737 61.225 62.100 -0.231 0.000 1.000 18 T CB 1.503 70.263 68.868 -0.180 0.000 1.103 18 T HN 0.547 nan 8.240 nan 0.000 0.486 19 R N 2.447 122.895 120.500 -0.088 0.000 2.297 19 R HA 0.665 5.005 4.340 -0.000 0.000 0.308 19 R C -0.645 175.671 176.300 0.027 0.000 1.029 19 R CA -0.545 55.549 56.100 -0.011 0.000 0.929 19 R CB 0.655 30.960 30.300 0.009 0.000 1.046 19 R HN 0.570 nan 8.270 nan 0.000 0.461 20 V N 1.968 121.919 119.914 0.062 0.000 2.876 20 V HA 0.669 4.789 4.120 -0.000 0.000 0.312 20 V C -2.787 173.299 176.094 -0.013 0.000 1.085 20 V CA -2.947 59.373 62.300 0.033 0.000 0.945 20 V CB 1.941 33.768 31.823 0.007 0.000 1.017 20 V HN 0.703 nan 8.190 nan 0.000 0.428 21 P HA 0.482 nan 4.420 nan 0.000 0.275 21 P C -0.971 176.146 177.300 -0.305 0.000 1.227 21 P CA -0.114 62.783 63.100 -0.339 0.000 0.781 21 P CB 1.350 32.906 31.700 -0.240 0.000 0.906 22 V N 5.733 125.400 119.914 -0.413 0.000 2.671 22 V HA 0.188 4.308 4.120 -0.000 0.000 0.292 22 V C -0.527 175.248 176.094 -0.531 0.000 1.115 22 V CA -0.772 61.266 62.300 -0.438 0.000 0.918 22 V CB 0.471 31.996 31.823 -0.498 0.000 1.036 22 V HN 0.465 nan 8.190 nan 0.000 0.445 23 L N 6.183 127.244 121.223 -0.271 0.000 3.879 23 L HA -0.257 4.083 4.340 -0.000 0.000 0.481 23 L C 1.154 177.893 176.870 -0.219 0.000 1.232 23 L CA 1.026 55.749 54.840 -0.195 0.000 0.736 23 L CB -1.974 40.000 42.059 -0.140 0.000 1.511 23 L HN 1.101 nan 8.230 nan 0.000 0.830 24 S N -3.072 112.516 115.700 -0.187 0.000 2.691 24 S HA -0.246 4.224 4.470 -0.000 0.000 0.262 24 S C 0.613 175.129 174.600 -0.141 0.000 1.284 24 S CA 1.588 59.713 58.200 -0.125 0.000 1.372 24 S CB -0.554 62.623 63.200 -0.037 0.000 1.693 24 S HN 0.834 nan 8.310 nan 0.000 0.647 25 S N -0.571 114.966 115.700 -0.271 0.000 2.788 25 S HA 0.823 5.293 4.470 -0.000 0.000 0.291 25 S C -0.948 173.415 174.600 -0.396 0.000 1.061 25 S CA -0.485 57.635 58.200 -0.134 0.000 0.923 25 S CB 0.923 64.175 63.200 0.086 0.000 1.339 25 S HN 0.464 nan 8.310 nan 0.000 0.591 26 H N -0.551 118.516 119.070 -0.005 0.000 2.928 26 H HA 0.748 5.304 4.556 -0.000 0.000 0.371 26 H C -0.936 174.445 175.328 0.089 0.000 1.186 26 H CA -0.465 55.588 56.048 0.007 0.000 1.134 26 H CB 1.528 31.303 29.762 0.023 0.000 1.824 26 H HN 0.561 nan 8.280 nan 0.000 0.554 27 I N -0.081 120.608 120.570 0.199 0.000 3.006 27 I HA 0.410 4.580 4.170 -0.000 0.000 0.306 27 I C -0.971 175.252 176.117 0.177 0.000 1.250 27 I CA -0.507 60.926 61.300 0.222 0.000 0.996 27 I CB 2.055 40.205 38.000 0.250 0.000 1.261 27 I HN 0.548 nan 8.210 nan 0.000 0.442 28 S N 3.997 119.813 115.700 0.193 0.000 2.525 28 S HA 0.803 5.273 4.470 -0.000 0.000 0.278 28 S C -0.482 174.134 174.600 0.026 0.000 1.234 28 S CA -0.508 57.745 58.200 0.088 0.000 1.058 28 S CB 1.424 64.752 63.200 0.214 0.000 0.983 28 S HN 0.650 nan 8.310 nan 0.000 0.495 29 A N 2.523 125.167 122.820 -0.294 0.000 2.393 29 A HA 0.811 5.131 4.320 -0.000 0.000 0.306 29 A C -1.410 175.762 177.584 -0.685 0.000 1.050 29 A CA -0.641 51.131 52.037 -0.442 0.000 0.724 29 A CB 0.648 19.364 19.000 -0.474 0.000 1.248 29 A HN 0.652 nan 8.150 nan 0.000 0.424 30 F N 2.383 122.174 119.950 -0.265 0.000 2.430 30 F HA 0.490 5.016 4.527 -0.000 0.000 0.362 30 F C -0.216 175.451 175.800 -0.222 0.000 1.103 30 F CA -0.383 57.547 58.000 -0.115 0.000 1.045 30 F CB 1.408 40.423 39.000 0.026 0.000 1.276 30 F HN 0.353 nan 8.300 nan 0.000 0.444 31 L N 2.366 123.538 121.223 -0.086 0.000 2.309 31 L HA 0.692 5.032 4.340 -0.000 0.000 0.282 31 L C 0.936 177.857 176.870 0.086 0.000 1.036 31 L CA -0.994 53.805 54.840 -0.068 0.000 0.806 31 L CB 1.541 43.477 42.059 -0.205 0.000 1.220 31 L HN 0.848 nan 8.230 nan 0.000 0.429 32 G N 3.295 112.177 108.800 0.136 0.000 2.272 32 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.280 32 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.280 32 G C -0.147 174.910 174.900 0.262 0.000 1.067 32 G CA -0.312 44.897 45.100 0.182 0.000 0.902 32 G HN 0.497 nan 8.290 nan 0.000 0.500 33 I N 2.287 122.897 120.570 0.068 0.000 2.396 33 I HA 0.218 4.387 4.170 -0.000 0.000 0.289 33 I C -1.296 174.615 176.117 -0.345 0.000 1.056 33 I CA -2.117 59.043 61.300 -0.233 0.000 1.365 33 I CB 1.131 38.973 38.000 -0.264 0.000 1.407 33 I HN 0.031 nan 8.210 nan 0.000 0.509 34 P HA 0.047 nan 4.420 nan 0.000 0.275 34 P C -0.349 176.597 177.300 -0.589 0.000 1.227 34 P CA 0.046 62.618 63.100 -0.880 0.000 0.781 34 P CB 0.697 31.770 31.700 -1.046 0.000 0.906 35 F N 0.103 119.729 119.950 -0.540 0.000 2.798 35 F HA 0.753 5.280 4.527 -0.000 0.000 0.328 35 F C -0.108 175.615 175.800 -0.128 0.000 1.098 35 F CA -0.848 56.926 58.000 -0.376 0.000 1.172 35 F CB 0.077 38.789 39.000 -0.480 0.000 1.072 35 F HN 0.407 nan 8.300 nan 0.000 0.555 36 A N -0.081 122.441 122.820 -0.498 0.000 2.610 36 A HA 0.611 4.931 4.320 -0.000 0.000 0.291 36 A C -1.013 176.393 177.584 -0.297 0.000 1.086 36 A CA -0.795 51.072 52.037 -0.284 0.000 0.677 36 A CB 1.032 19.850 19.000 -0.303 0.000 1.278 36 A HN 0.049 nan 8.150 nan 0.000 0.414 37 E N 0.698 120.811 120.200 -0.145 0.000 2.383 37 E HA 0.323 4.672 4.350 -0.000 0.000 0.264 37 E C -2.374 174.142 176.600 -0.140 0.000 1.050 37 E CA -1.471 54.865 56.400 -0.107 0.000 0.896 37 E CB 0.164 29.844 29.700 -0.034 0.000 0.982 37 E HN 0.244 nan 8.360 nan 0.000 0.424 38 P HA 0.063 nan 4.420 nan 0.000 0.261 38 P C -2.294 174.960 177.300 -0.076 0.000 1.203 38 P CA -0.843 62.202 63.100 -0.092 0.000 0.767 38 P CB -0.028 31.652 31.700 -0.034 0.000 0.785 39 P HA -0.018 nan 4.420 nan 0.000 0.238 39 P C -0.140 177.105 177.300 -0.091 0.000 1.714 39 P CA 0.233 63.285 63.100 -0.080 0.000 0.908 39 P CB -0.206 31.446 31.700 -0.080 0.000 1.893 40 V N -3.549 116.321 119.914 -0.073 0.000 3.302 40 V HA 0.867 4.987 4.120 -0.000 0.000 0.316 40 V C 1.255 177.311 176.094 -0.064 0.000 1.111 40 V CA -0.031 62.224 62.300 -0.075 0.000 1.029 40 V CB 0.465 32.255 31.823 -0.056 0.000 1.170 40 V HN 0.499 nan 8.190 nan 0.000 0.452 41 G N 1.862 110.625 108.800 -0.062 0.000 2.685 41 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.329 41 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.329 41 G C 0.826 175.698 174.900 -0.047 0.000 1.271 41 G CA 1.015 46.087 45.100 -0.047 0.000 1.003 41 G HN 1.743 nan 8.290 nan 0.000 0.549 42 N N 1.067 119.757 118.700 -0.016 0.000 2.573 42 N HA 0.030 4.770 4.740 -0.000 0.000 0.187 42 N C 2.038 177.551 175.510 0.005 0.000 1.107 42 N CA 1.656 54.711 53.050 0.008 0.000 0.918 42 N CB -0.156 38.350 38.487 0.030 0.000 0.966 42 N HN 0.660 nan 8.380 nan 0.000 0.448 43 M N -0.029 119.558 119.600 -0.023 0.000 2.495 43 M HA 0.100 4.580 4.480 -0.000 0.000 0.237 43 M C 0.704 176.965 176.300 -0.065 0.000 1.131 43 M CA -0.290 54.996 55.300 -0.023 0.000 1.032 43 M CB 0.360 32.946 32.600 -0.024 0.000 1.513 43 M HN 0.036 nan 8.290 nan 0.000 0.488 44 R N 0.742 121.150 120.500 -0.154 0.000 2.522 44 R HA -0.046 4.294 4.340 -0.000 0.000 0.284 44 R C -0.521 175.567 176.300 -0.353 0.000 1.032 44 R CA 0.727 56.599 56.100 -0.380 0.000 1.049 44 R CB 0.174 30.104 30.300 -0.618 0.000 0.956 44 R HN 0.250 nan 8.270 nan 0.000 0.422 45 F N -0.247 119.704 119.950 0.003 0.000 2.397 45 F HA -0.255 4.272 4.527 -0.000 0.000 0.438 45 F C 0.289 176.072 175.800 -0.029 0.000 0.555 45 F CA 0.678 58.655 58.000 -0.039 0.000 1.561 45 F CB -1.431 37.534 39.000 -0.058 0.000 2.188 45 F HN 0.627 nan 8.300 nan 0.000 0.267 46 R N 1.186 121.754 120.500 0.114 0.000 2.528 46 R HA 0.582 4.922 4.340 -0.000 0.000 0.271 46 R C 0.608 176.935 176.300 0.046 0.000 1.056 46 R CA -0.956 55.188 56.100 0.074 0.000 1.117 46 R CB 0.754 31.084 30.300 0.051 0.000 1.085 46 R HN 0.093 nan 8.270 nan 0.000 0.530 47 R N 1.619 122.147 120.500 0.046 0.000 2.756 47 R HA 0.052 4.392 4.340 -0.000 0.000 0.264 47 R C -2.042 174.282 176.300 0.040 0.000 1.026 47 R CA -1.126 55.001 56.100 0.045 0.000 1.121 47 R CB -0.353 29.980 30.300 0.054 0.000 0.999 47 R HN 0.360 nan 8.270 nan 0.000 0.449 48 P HA 0.079 nan 4.420 nan 0.000 0.272 48 P C -0.888 176.441 177.300 0.048 0.000 1.230 48 P CA -0.107 63.020 63.100 0.044 0.000 0.788 48 P CB 0.661 32.413 31.700 0.087 0.000 0.949 49 E N 1.248 121.467 120.200 0.031 0.000 2.248 49 E HA 0.454 4.804 4.350 -0.000 0.000 0.267 49 E C -2.596 174.032 176.600 0.047 0.000 0.877 49 E CA -2.814 53.609 56.400 0.039 0.000 0.759 49 E CB 0.680 30.395 29.700 0.025 0.000 1.182 49 E HN 0.201 nan 8.360 nan 0.000 0.418 50 P HA -0.048 nan 4.420 nan 0.000 0.264 50 P C -1.111 176.238 177.300 0.081 0.000 1.183 50 P CA -0.041 63.120 63.100 0.102 0.000 0.763 50 P CB 0.348 32.109 31.700 0.101 0.000 0.807 51 K N 4.321 124.778 120.400 0.095 0.000 2.419 51 K HA 0.000 4.320 4.320 -0.000 0.000 0.282 51 K C -0.126 176.557 176.600 0.138 0.000 1.056 51 K CA 0.570 56.907 56.287 0.084 0.000 1.035 51 K CB -0.235 32.317 32.500 0.087 0.000 0.921 51 K HN 0.231 nan 8.250 nan 0.000 0.472 52 K N 5.995 126.469 120.400 0.123 0.000 2.401 52 K HA 0.094 4.414 4.320 -0.000 0.000 0.278 52 K C -2.152 174.550 176.600 0.170 0.000 1.018 52 K CA -1.567 54.791 56.287 0.119 0.000 0.981 52 K CB 0.229 32.789 32.500 0.100 0.000 0.933 52 K HN 0.527 nan 8.250 nan 0.000 0.477 53 P HA -0.120 nan 4.420 nan 0.000 0.263 53 P C -1.162 176.205 177.300 0.111 0.000 1.175 53 P CA 0.313 63.396 63.100 -0.028 0.000 0.761 53 P CB 0.196 31.844 31.700 -0.087 0.000 0.794 54 W N 2.045 123.410 121.300 0.108 0.000 2.655 54 W HA 0.705 5.365 4.660 -0.000 0.000 0.358 54 W C -0.733 175.859 176.519 0.123 0.000 1.100 54 W CA -0.976 56.455 57.345 0.144 0.000 1.195 54 W CB 0.249 29.861 29.460 0.254 0.000 1.403 54 W HN 0.374 nan 8.180 nan 0.000 0.589 55 S N 1.478 117.391 115.700 0.355 0.000 2.638 55 S HA 0.898 5.368 4.470 -0.000 0.000 0.298 55 S C 0.285 175.093 174.600 0.346 0.000 1.111 55 S CA -0.086 58.245 58.200 0.218 0.000 1.027 55 S CB 1.065 64.345 63.200 0.134 0.000 1.064 55 S HN 2.218 nan 8.310 nan 0.000 0.525 56 G N -0.119 108.824 108.800 0.239 0.000 2.660 56 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.215 56 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.215 56 G C -0.933 174.175 174.900 0.346 0.000 1.345 56 G CA -0.432 44.809 45.100 0.235 0.000 0.877 56 G HN 1.597 nan 8.290 nan 0.000 0.549 57 V N 0.813 120.891 119.914 0.272 0.000 2.398 57 V HA 0.507 4.627 4.120 -0.000 0.000 0.286 57 V C 0.267 176.536 176.094 0.291 0.000 1.026 57 V CA -0.492 61.999 62.300 0.317 0.000 0.868 57 V CB 1.756 33.695 31.823 0.194 0.000 0.982 57 V HN 0.709 nan 8.190 nan 0.000 0.443 58 W N 5.758 127.181 121.300 0.204 0.000 2.358 58 W HA 0.242 4.902 4.660 -0.000 0.000 0.307 58 W C 0.249 176.779 176.519 0.019 0.000 1.203 58 W CA -0.609 56.704 57.345 -0.053 0.000 1.279 58 W CB 0.819 30.079 29.460 -0.333 0.000 1.264 58 W HN 0.625 nan 8.180 nan 0.000 0.474 59 N N 4.690 123.292 118.700 -0.162 0.000 2.416 59 N HA 0.112 4.852 4.740 -0.000 0.000 0.271 59 N C -0.358 175.205 175.510 0.089 0.000 1.245 59 N CA 0.346 53.366 53.050 -0.049 0.000 0.940 59 N CB 0.913 39.300 38.487 -0.166 0.000 1.175 59 N HN 0.391 nan 8.380 nan 0.000 0.483 60 A N 2.842 125.793 122.820 0.218 0.000 3.213 60 A HA 0.190 4.510 4.320 -0.000 0.000 0.308 60 A C 1.030 178.624 177.584 0.017 0.000 1.177 60 A CA -0.422 51.752 52.037 0.228 0.000 1.010 60 A CB -0.449 18.768 19.000 0.361 0.000 1.092 60 A HN 0.634 nan 8.150 nan 0.000 0.583 61 S N -0.967 114.709 115.700 -0.040 0.000 2.524 61 S HA 0.173 4.643 4.470 -0.000 0.000 0.215 61 S C 0.743 175.256 174.600 -0.145 0.000 0.986 61 S CA 0.589 58.719 58.200 -0.115 0.000 0.911 61 S CB -0.256 62.885 63.200 -0.098 0.000 0.805 61 S HN 0.830 nan 8.310 nan 0.000 0.501 62 T N -1.133 113.354 114.554 -0.112 0.000 2.906 62 T HA 0.644 4.994 4.350 -0.000 0.000 0.295 62 T C -0.932 173.732 174.700 -0.059 0.000 1.075 62 T CA -0.751 61.275 62.100 -0.124 0.000 1.005 62 T CB 0.730 69.550 68.868 -0.080 0.000 1.136 62 T HN 0.050 nan 8.240 nan 0.000 0.498 63 Y N 2.748 123.023 120.300 -0.042 0.000 2.480 63 Y HA 0.351 4.901 4.550 -0.000 0.000 0.338 63 Y C -1.360 174.484 175.900 -0.094 0.000 1.220 63 Y CA -1.499 56.578 58.100 -0.037 0.000 1.430 63 Y CB 0.152 38.610 38.460 -0.004 0.000 1.311 63 Y HN 0.553 nan 8.280 nan 0.000 0.575 64 P HA 0.110 nan 4.420 nan 0.000 0.293 64 P C -0.664 176.542 177.300 -0.156 0.000 1.304 64 P CA -0.498 62.470 63.100 -0.220 0.000 0.767 64 P CB 0.957 32.389 31.700 -0.447 0.000 1.247 65 N N -0.081 118.482 118.700 -0.227 0.000 2.424 65 N HA 0.146 4.886 4.740 -0.000 0.000 0.257 65 N C -0.022 175.440 175.510 -0.080 0.000 1.250 65 N CA 0.033 53.007 53.050 -0.127 0.000 0.946 65 N CB -0.100 38.317 38.487 -0.117 0.000 1.175 65 N HN 0.394 nan 8.380 nan 0.000 0.477 66 N N -0.641 118.013 118.700 -0.078 0.000 2.487 66 N HA 0.287 5.027 4.740 -0.000 0.000 0.292 66 N C -0.335 175.132 175.510 -0.072 0.000 1.108 66 N CA -0.681 52.323 53.050 -0.077 0.000 0.956 66 N CB 1.127 39.549 38.487 -0.109 0.000 1.176 66 N HN 0.396 nan 8.380 nan 0.000 0.484 67 c N 1.227 119.789 118.600 -0.062 0.000 2.727 67 c HA 0.003 4.573 4.570 -0.000 0.000 0.401 67 c C 0.718 174.734 174.090 -0.123 0.000 1.294 67 c CA -0.471 55.805 56.329 -0.088 0.000 2.134 67 c CB -0.150 42.330 42.510 -0.050 0.000 2.724 67 c HN 0.535 nan 8.230 nan 0.000 0.677 68 Q N 2.448 122.108 119.800 -0.233 0.000 2.289 68 Q HA 0.247 4.587 4.340 -0.000 0.000 0.273 68 Q C -0.035 175.937 176.000 -0.046 0.000 1.029 68 Q CA 0.836 56.498 55.803 -0.234 0.000 0.896 68 Q CB 0.553 28.947 28.738 -0.574 0.000 1.182 68 Q HN 0.872 nan 8.270 nan 0.000 0.385 69 Q N 1.412 121.254 119.800 0.069 0.000 2.575 69 Q HA 0.315 4.655 4.340 -0.000 0.000 0.290 69 Q C -1.267 174.898 176.000 0.276 0.000 0.963 69 Q CA -1.033 54.899 55.803 0.214 0.000 0.783 69 Q CB 0.821 29.654 28.738 0.158 0.000 1.467 69 Q HN 0.467 nan 8.270 nan 0.000 0.402 70 Y N 1.008 121.488 120.300 0.301 0.000 2.597 70 Y HA 0.372 4.922 4.550 -0.000 0.000 0.336 70 Y C -1.103 174.961 175.900 0.274 0.000 1.216 70 Y CA 0.321 58.624 58.100 0.338 0.000 1.463 70 Y CB 0.906 39.680 38.460 0.524 0.000 1.303 70 Y HN 0.433 nan 8.280 nan 0.000 0.576 71 V N 6.437 126.047 119.914 -0.507 0.000 2.448 71 V HA 0.148 4.268 4.120 -0.000 0.000 0.295 71 V C -0.787 174.945 176.094 -0.603 0.000 1.025 71 V CA -1.071 61.013 62.300 -0.361 0.000 0.859 71 V CB 1.593 33.318 31.823 -0.164 0.000 0.988 71 V HN 0.805 nan 8.190 nan 0.000 0.431 72 D N 3.450 123.716 120.400 -0.223 0.000 2.343 72 D HA 0.196 4.836 4.640 -0.000 0.000 0.255 72 D C 0.407 176.730 176.300 0.037 0.000 1.187 72 D CA 0.197 54.188 54.000 -0.015 0.000 0.875 72 D CB 0.912 41.866 40.800 0.256 0.000 1.136 72 D HN 0.679 nan 8.370 nan 0.000 0.469 73 E N 2.709 122.917 120.200 0.014 0.000 2.887 73 E HA 0.030 4.380 4.350 -0.000 0.000 0.206 73 E C 0.947 177.525 176.600 -0.036 0.000 0.983 73 E CA -0.323 56.085 56.400 0.013 0.000 1.141 73 E CB 0.703 30.388 29.700 -0.024 0.000 1.061 73 E HN 0.470 nan 8.360 nan 0.000 0.468 74 Q N -0.387 119.367 119.800 -0.077 0.000 2.050 74 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 74 Q C 0.028 175.597 176.000 -0.718 0.000 0.980 74 Q CA 1.176 56.681 55.803 -0.497 0.000 0.840 74 Q CB 0.179 28.416 28.738 -0.836 0.000 0.898 74 Q HN 0.254 nan 8.270 nan 0.000 0.424 75 F N 0.582 120.605 119.950 0.122 0.000 2.451 75 F HA 0.362 4.889 4.527 -0.000 0.000 0.367 75 F C -2.142 173.741 175.800 0.137 0.000 1.100 75 F CA -2.784 55.270 58.000 0.090 0.000 1.171 75 F CB 1.091 40.144 39.000 0.089 0.000 1.405 75 F HN -0.171 nan 8.300 nan 0.000 0.482 76 P HA 0.161 nan 4.420 nan 0.000 0.263 76 P C 1.002 178.392 177.300 0.150 0.000 1.195 76 P CA 1.142 64.320 63.100 0.130 0.000 0.762 76 P CB 0.820 32.560 31.700 0.065 0.000 0.799 77 G N 2.962 111.838 108.800 0.127 0.000 2.304 77 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.252 77 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.252 77 G C 0.153 175.137 174.900 0.139 0.000 1.014 77 G CA -0.379 44.781 45.100 0.099 0.000 0.619 77 G HN 0.531 nan 8.290 nan 0.000 0.525 78 F N 3.522 123.485 119.950 0.022 0.000 2.541 78 F HA 0.445 4.972 4.527 -0.000 0.000 0.378 78 F C 1.791 177.560 175.800 -0.052 0.000 1.068 78 F CA 0.016 57.986 58.000 -0.050 0.000 1.199 78 F CB 0.955 39.925 39.000 -0.050 0.000 1.091 78 F HN 0.282 nan 8.300 nan 0.000 0.555 79 S N 3.255 118.623 115.700 -0.553 0.000 2.423 79 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 79 S C 2.227 176.450 174.600 -0.627 0.000 1.014 79 S CA 0.751 58.651 58.200 -0.501 0.000 0.965 79 S CB -1.061 61.891 63.200 -0.414 0.000 0.785 79 S HN 0.789 nan 8.310 nan 0.000 0.495 80 G N 1.740 109.703 108.800 -1.395 0.000 2.450 80 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.220 80 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.220 80 G C 1.709 176.877 174.900 0.446 0.000 1.130 80 G CA 1.282 45.900 45.100 -0.805 0.000 0.760 80 G HN 0.788 nan 8.290 nan 0.000 0.557 81 S N -0.443 115.512 115.700 0.426 0.000 2.502 81 S HA 0.154 4.624 4.470 -0.000 0.000 0.228 81 S C 1.833 176.715 174.600 0.471 0.000 1.061 81 S CA 0.782 59.497 58.200 0.858 0.000 0.935 81 S CB 0.052 63.885 63.200 1.054 0.000 0.809 81 S HN 0.344 nan 8.310 nan 0.000 0.510 82 E N 1.826 122.151 120.200 0.209 0.000 2.268 82 E HA -0.059 4.290 4.350 -0.000 0.000 0.195 82 E C 2.064 178.615 176.600 -0.082 0.000 0.995 82 E CA 1.334 57.776 56.400 0.070 0.000 0.836 82 E CB -0.418 29.294 29.700 0.020 0.000 0.763 82 E HN 0.843 nan 8.360 nan 0.000 0.491 83 M N -1.861 117.597 119.600 -0.238 0.000 2.460 83 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 83 M C 0.863 176.757 176.300 -0.676 0.000 1.071 83 M CA 1.300 56.287 55.300 -0.522 0.000 1.096 83 M CB -0.283 31.880 32.600 -0.729 0.000 1.408 83 M HN 0.038 nan 8.290 nan 0.000 0.463 84 W N 1.067 122.314 121.300 -0.088 0.000 3.211 84 W HA 0.283 4.943 4.660 -0.000 0.000 0.292 84 W C 0.314 176.757 176.519 -0.127 0.000 1.268 84 W CA -0.881 56.381 57.345 -0.138 0.000 1.702 84 W CB -0.118 29.277 29.460 -0.109 0.000 1.092 84 W HN 0.112 nan 8.180 nan 0.000 0.643 85 N N 1.337 120.070 118.700 0.056 0.000 2.483 85 N HA 0.175 4.915 4.740 -0.000 0.000 0.269 85 N C -2.512 172.960 175.510 -0.063 0.000 1.209 85 N CA -1.701 51.357 53.050 0.013 0.000 0.969 85 N CB -0.133 38.365 38.487 0.018 0.000 1.173 85 N HN -0.372 nan 8.380 nan 0.000 0.475 86 P HA 0.026 nan 4.420 nan 0.000 0.260 86 P C 0.270 177.514 177.300 -0.094 0.000 1.185 86 P CA 0.076 63.118 63.100 -0.097 0.000 0.763 86 P CB 0.184 31.838 31.700 -0.078 0.000 0.776 87 N N 3.053 121.683 118.700 -0.116 0.000 2.235 87 N HA 0.054 4.794 4.740 -0.000 0.000 0.209 87 N C 0.190 175.657 175.510 -0.072 0.000 1.122 87 N CA 0.136 53.128 53.050 -0.097 0.000 0.845 87 N CB 0.308 38.724 38.487 -0.119 0.000 1.004 87 N HN 0.180 nan 8.380 nan 0.000 0.499 88 R N 0.202 120.657 120.500 -0.076 0.000 2.836 88 R HA 0.273 4.613 4.340 -0.000 0.000 0.269 88 R C -0.609 175.654 176.300 -0.063 0.000 1.010 88 R CA -0.672 55.392 56.100 -0.059 0.000 0.930 88 R CB 1.390 31.653 30.300 -0.061 0.000 1.218 88 R HN 0.254 nan 8.270 nan 0.000 0.473 89 E N 1.554 121.719 120.200 -0.058 0.000 2.442 89 E HA 0.017 4.367 4.350 -0.000 0.000 0.262 89 E C -0.411 176.148 176.600 -0.068 0.000 1.004 89 E CA 0.240 56.605 56.400 -0.058 0.000 0.928 89 E CB 0.637 30.303 29.700 -0.056 0.000 0.937 89 E HN 0.251 nan 8.360 nan 0.000 0.446 90 M N 2.414 121.974 119.600 -0.066 0.000 2.277 90 M HA 0.234 4.714 4.480 -0.000 0.000 0.350 90 M C -0.154 176.092 176.300 -0.090 0.000 1.180 90 M CA -0.062 55.190 55.300 -0.079 0.000 1.103 90 M CB 1.722 34.278 32.600 -0.074 0.000 1.577 90 M HN 0.373 nan 8.290 nan 0.000 0.459 91 S N 0.578 116.212 115.700 -0.109 0.000 2.565 91 S HA 0.261 4.731 4.470 -0.000 0.000 0.269 91 S C -0.039 174.466 174.600 -0.159 0.000 1.153 91 S CA -0.670 57.461 58.200 -0.115 0.000 0.835 91 S CB 1.676 64.831 63.200 -0.075 0.000 1.122 91 S HN 0.834 nan 8.310 nan 0.000 0.462 92 E N 0.567 120.656 120.200 -0.185 0.000 2.358 92 E HA -0.025 4.325 4.350 -0.000 0.000 0.195 92 E C -0.488 176.039 176.600 -0.121 0.000 1.010 92 E CA 0.394 56.654 56.400 -0.233 0.000 0.856 92 E CB 0.139 29.691 29.700 -0.247 0.000 0.795 92 E HN 0.541 nan 8.360 nan 0.000 0.504 93 D N 0.066 120.433 120.400 -0.055 0.000 2.483 93 D HA 0.000 4.640 4.640 -0.000 0.000 0.220 93 D C 0.108 176.493 176.300 0.143 0.000 1.173 93 D CA -0.294 53.726 54.000 0.032 0.000 0.964 93 D CB -0.000 40.835 40.800 0.059 0.000 1.046 93 D HN 0.102 nan 8.370 nan 0.000 0.517 94 c N 2.506 121.179 118.600 0.121 0.000 3.772 94 c HA 0.371 4.941 4.570 -0.000 0.000 0.293 94 c C 0.627 174.855 174.090 0.230 0.000 1.659 94 c CA -0.694 55.764 56.329 0.215 0.000 1.810 94 c CB -1.278 41.268 42.510 0.061 0.000 3.059 94 c HN 0.442 nan 8.230 nan 0.000 0.617 95 L N 2.643 123.775 121.223 -0.151 0.000 2.415 95 L HA 0.366 4.706 4.340 -0.000 0.000 0.269 95 L C -0.821 175.405 176.870 -1.073 0.000 1.244 95 L CA 0.647 55.132 54.840 -0.592 0.000 1.113 95 L CB -0.791 40.746 42.059 -0.869 0.000 1.352 95 L HN 0.373 nan 8.230 nan 0.000 0.433 96 Y N 2.010 122.196 120.300 -0.191 0.000 2.605 96 Y HA 0.696 5.246 4.550 -0.000 0.000 0.343 96 Y C -0.095 175.968 175.900 0.272 0.000 1.036 96 Y CA -1.334 56.741 58.100 -0.041 0.000 1.065 96 Y CB 1.865 40.304 38.460 -0.035 0.000 1.288 96 Y HN 0.189 nan 8.280 nan 0.000 0.481 97 L N -0.257 121.141 121.223 0.292 0.000 2.376 97 L HA 0.774 5.114 4.340 -0.000 0.000 0.258 97 L C -1.322 175.594 176.870 0.075 0.000 1.013 97 L CA -1.131 53.807 54.840 0.162 0.000 0.822 97 L CB 1.872 43.909 42.059 -0.037 0.000 1.388 97 L HN 0.459 nan 8.230 nan 0.000 0.413 98 N N 1.429 120.183 118.700 0.091 0.000 2.272 98 N HA 0.757 5.497 4.740 -0.000 0.000 0.305 98 N C -1.296 174.144 175.510 -0.118 0.000 1.103 98 N CA -0.260 52.760 53.050 -0.050 0.000 0.791 98 N CB 2.740 41.224 38.487 -0.006 0.000 1.356 98 N HN 0.662 nan 8.380 nan 0.000 0.486 99 I N 0.197 120.599 120.570 -0.281 0.000 2.533 99 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 99 I C -0.887 175.151 176.117 -0.133 0.000 1.056 99 I CA -0.713 60.527 61.300 -0.099 0.000 1.057 99 I CB 2.403 40.290 38.000 -0.189 0.000 1.240 99 I HN 0.234 nan 8.210 nan 0.000 0.423 100 W N 5.685 127.123 121.300 0.230 0.000 2.471 100 W HA 0.587 5.247 4.660 -0.000 0.000 0.318 100 W C -1.104 175.558 176.519 0.239 0.000 1.034 100 W CA -0.656 56.824 57.345 0.224 0.000 1.224 100 W CB 2.183 31.745 29.460 0.170 0.000 1.335 100 W HN 0.082 nan 8.180 nan 0.000 0.452 101 V N 5.071 125.253 119.914 0.446 0.000 2.487 101 V HA 0.282 4.402 4.120 -0.000 0.000 0.298 101 V C -2.032 174.255 176.094 0.322 0.000 1.028 101 V CA -2.406 60.123 62.300 0.382 0.000 0.860 101 V CB 1.967 34.063 31.823 0.455 0.000 0.991 101 V HN 0.242 nan 8.190 nan 0.000 0.427 102 P HA 0.068 nan 4.420 nan 0.000 0.266 102 P C -0.514 176.908 177.300 0.203 0.000 1.193 102 P CA 0.399 63.627 63.100 0.213 0.000 0.770 102 P CB 0.517 32.303 31.700 0.143 0.000 0.836 103 S N 2.286 118.105 115.700 0.198 0.000 2.552 103 S HA 0.534 5.004 4.470 -0.000 0.000 0.314 103 S C -2.423 172.261 174.600 0.141 0.000 1.099 103 S CA -1.587 56.715 58.200 0.170 0.000 1.070 103 S CB 0.140 63.447 63.200 0.180 0.000 0.998 103 S HN 0.252 nan 8.310 nan 0.000 0.474 104 P HA 0.159 nan 4.420 nan 0.000 0.269 104 P C -0.490 176.876 177.300 0.110 0.000 1.215 104 P CA -0.542 62.618 63.100 0.100 0.000 0.780 104 P CB 0.411 32.156 31.700 0.074 0.000 0.898 105 R N 2.494 123.065 120.500 0.119 0.000 2.502 105 R HA 0.108 4.448 4.340 -0.000 0.000 0.292 105 R C -1.881 174.476 176.300 0.095 0.000 0.998 105 R CA -0.865 55.312 56.100 0.128 0.000 1.056 105 R CB -0.482 29.896 30.300 0.130 0.000 0.939 105 R HN 0.373 nan 8.270 nan 0.000 0.411 106 P HA 0.056 nan 4.420 nan 0.000 0.273 106 P C -0.226 177.107 177.300 0.054 0.000 1.250 106 P CA -0.331 62.810 63.100 0.068 0.000 0.793 106 P CB 0.748 32.491 31.700 0.072 0.000 1.011 107 K N -0.338 120.082 120.400 0.033 0.000 2.108 107 K HA 0.118 4.438 4.320 -0.000 0.000 0.204 107 K C 0.597 177.200 176.600 0.005 0.000 1.036 107 K CA 0.874 57.172 56.287 0.018 0.000 0.965 107 K CB 0.002 32.508 32.500 0.010 0.000 0.804 107 K HN 0.261 nan 8.250 nan 0.000 0.454 108 S N 0.784 116.485 115.700 0.002 0.000 2.512 108 S HA 0.138 4.608 4.470 -0.000 0.000 0.161 108 S C -0.827 173.770 174.600 -0.005 0.000 1.383 108 S CA -0.502 57.690 58.200 -0.013 0.000 1.248 108 S CB 0.672 63.855 63.200 -0.028 0.000 1.488 108 S HN 0.218 nan 8.310 nan 0.000 0.382 109 T N 1.752 116.314 114.554 0.013 0.000 2.874 109 T HA 0.420 4.770 4.350 -0.000 0.000 0.281 109 T C 0.427 175.135 174.700 0.014 0.000 0.994 109 T CA 0.192 62.303 62.100 0.017 0.000 1.015 109 T CB 0.782 69.672 68.868 0.037 0.000 1.028 109 T HN 0.419 nan 8.240 nan 0.000 0.523 110 T N 2.426 116.983 114.554 0.006 0.000 2.940 110 T HA 0.343 4.693 4.350 -0.000 0.000 0.309 110 T C -0.416 174.302 174.700 0.031 0.000 1.056 110 T CA -0.267 61.832 62.100 -0.001 0.000 1.137 110 T CB 0.370 69.222 68.868 -0.027 0.000 0.976 110 T HN 0.406 nan 8.240 nan 0.000 0.547 111 V N 4.689 124.626 119.914 0.039 0.000 2.540 111 V HA 0.489 4.609 4.120 -0.000 0.000 0.302 111 V C -0.160 175.990 176.094 0.094 0.000 1.035 111 V CA -0.758 61.591 62.300 0.082 0.000 0.873 111 V CB 1.709 33.583 31.823 0.086 0.000 0.992 111 V HN 0.827 nan 8.190 nan 0.000 0.428 112 M N 4.562 124.247 119.600 0.143 0.000 2.253 112 M HA 0.576 5.056 4.480 -0.000 0.000 0.314 112 M C -1.207 175.346 176.300 0.421 0.000 1.019 112 M CA -0.687 54.728 55.300 0.193 0.000 0.932 112 M CB 2.244 34.855 32.600 0.018 0.000 1.606 112 M HN 0.359 nan 8.290 nan 0.000 0.430 113 V N 3.218 123.418 119.914 0.476 0.000 2.334 113 V HA 0.297 4.417 4.120 -0.000 0.000 0.281 113 V C -0.714 175.636 176.094 0.428 0.000 1.016 113 V CA -0.643 61.900 62.300 0.405 0.000 0.832 113 V CB 1.282 33.215 31.823 0.182 0.000 0.999 113 V HN 0.853 nan 8.190 nan 0.000 0.439 114 W N 6.995 128.349 121.300 0.089 0.000 2.287 114 W HA 0.584 5.244 4.660 -0.000 0.000 0.313 114 W C -1.176 175.198 176.519 -0.242 0.000 1.267 114 W CA -0.615 56.508 57.345 -0.371 0.000 1.201 114 W CB 1.059 30.373 29.460 -0.243 0.000 1.196 114 W HN 0.438 nan 8.180 nan 0.000 0.536 115 I N 9.330 129.204 120.570 -1.161 0.000 2.420 115 I HA 0.052 4.222 4.170 -0.000 0.000 0.282 115 I C -0.220 175.124 176.117 -1.290 0.000 1.019 115 I CA -1.097 59.633 61.300 -0.949 0.000 1.130 115 I CB 0.579 38.199 38.000 -0.633 0.000 1.262 115 I HN 0.297 nan 8.210 nan 0.000 0.454 116 Y N 4.638 124.471 120.300 -0.778 0.000 2.459 116 Y HA 0.645 5.195 4.550 -0.000 0.000 0.349 116 Y C 0.734 176.488 175.900 -0.243 0.000 1.266 116 Y CA -0.725 57.064 58.100 -0.518 0.000 1.483 116 Y CB -0.106 38.280 38.460 -0.123 0.000 1.362 116 Y HN 0.498 nan 8.280 nan 0.000 0.628 117 G N -1.246 107.619 108.800 0.108 0.000 2.828 117 G HA2 0.518 4.478 3.960 -0.000 0.000 0.244 117 G HA3 0.518 4.478 3.960 -0.000 0.000 0.244 117 G C 0.130 174.998 174.900 -0.053 0.000 1.365 117 G CA -0.986 44.094 45.100 -0.034 0.000 1.041 117 G HN 1.698 nan 8.290 nan 0.000 0.560 118 G N -2.614 106.002 108.800 -0.306 0.000 2.263 118 G HA2 0.413 4.373 3.960 -0.000 0.000 0.207 118 G HA3 0.413 4.373 3.960 -0.000 0.000 0.207 118 G C 1.040 175.368 174.900 -0.954 0.000 1.072 118 G CA 0.713 45.483 45.100 -0.550 0.000 0.800 118 G HN 2.313 nan 8.290 nan 0.000 0.491 119 G N -0.462 107.815 108.800 -0.872 0.000 2.212 119 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.267 119 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.267 119 G C 0.931 175.538 174.900 -0.488 0.000 1.002 119 G CA 0.893 45.292 45.100 -1.167 0.000 0.729 119 G HN 1.806 nan 8.290 nan 0.000 0.517 120 F N -3.419 116.397 119.950 -0.223 0.000 2.794 120 F HA -0.283 4.244 4.527 -0.000 0.000 0.335 120 F C 1.357 177.231 175.800 0.123 0.000 0.653 120 F CA 1.958 59.954 58.000 -0.007 0.000 1.266 120 F CB -2.099 36.776 39.000 -0.209 0.000 1.666 120 F HN 0.948 nan 8.300 nan 0.000 0.314 121 Y N -1.147 119.229 120.300 0.127 0.000 2.527 121 Y HA 0.682 5.232 4.550 -0.000 0.000 0.247 121 Y C 0.482 176.480 175.900 0.162 0.000 1.138 121 Y CA 0.100 58.293 58.100 0.155 0.000 1.228 121 Y CB -0.018 38.460 38.460 0.030 0.000 1.252 121 Y HN 0.118 nan 8.280 nan 0.000 0.531 122 S N -0.950 114.547 115.700 -0.338 0.000 2.661 122 S HA 0.864 5.333 4.470 -0.000 0.000 0.268 122 S C -0.262 174.183 174.600 -0.258 0.000 1.162 122 S CA -0.501 57.558 58.200 -0.235 0.000 0.817 122 S CB 1.362 64.397 63.200 -0.275 0.000 1.141 122 S HN 1.381 nan 8.310 nan 0.000 0.477 123 G N -0.387 108.230 108.800 -0.305 0.000 2.402 123 G HA2 0.437 4.396 3.960 -0.000 0.000 0.666 123 G HA3 0.437 4.396 3.960 -0.000 0.000 0.666 123 G C -1.066 173.224 174.900 -1.017 0.000 1.402 123 G CA -0.297 44.449 45.100 -0.590 0.000 0.920 123 G HN 1.464 nan 8.290 nan 0.000 0.651 124 S N -0.906 114.156 115.700 -1.063 0.000 2.533 124 S HA 0.645 5.115 4.470 -0.000 0.000 0.271 124 S C 0.850 175.287 174.600 -0.272 0.000 1.143 124 S CA 0.095 57.889 58.200 -0.676 0.000 0.891 124 S CB 1.774 64.791 63.200 -0.306 0.000 1.105 124 S HN 1.951 nan 8.310 nan 0.000 0.468 125 S N -0.074 115.660 115.700 0.056 0.000 2.603 125 S HA -0.039 4.431 4.470 -0.000 0.000 0.220 125 S C 1.278 175.947 174.600 0.114 0.000 0.967 125 S CA 0.766 59.184 58.200 0.362 0.000 0.920 125 S CB -0.603 62.857 63.200 0.432 0.000 0.773 125 S HN 0.844 nan 8.310 nan 0.000 0.529 126 T N -0.127 114.308 114.554 -0.197 0.000 3.145 126 T HA 0.430 4.780 4.350 -0.000 0.000 0.255 126 T C 0.419 174.844 174.700 -0.458 0.000 1.039 126 T CA -0.589 61.088 62.100 -0.706 0.000 0.928 126 T CB -0.515 67.849 68.868 -0.840 0.000 1.029 126 T HN 0.295 nan 8.240 nan 0.000 0.554 127 L N 1.583 122.630 121.223 -0.293 0.000 2.473 127 L HA 0.230 4.570 4.340 -0.000 0.000 0.268 127 L C 1.383 178.021 176.870 -0.387 0.000 1.215 127 L CA -0.575 54.008 54.840 -0.429 0.000 0.823 127 L CB 0.362 41.967 42.059 -0.758 0.000 1.099 127 L HN 0.050 nan 8.230 nan 0.000 0.483 128 D N 0.654 120.836 120.400 -0.364 0.000 2.144 128 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 128 D C 1.951 178.046 176.300 -0.341 0.000 0.984 128 D CA 1.155 55.002 54.000 -0.255 0.000 0.834 128 D CB 0.012 40.672 40.800 -0.233 0.000 0.955 128 D HN 0.476 nan 8.370 nan 0.000 0.465 129 V N -1.071 118.483 119.914 -0.600 0.000 2.970 129 V HA -0.150 3.970 4.120 -0.000 0.000 0.260 129 V C 1.252 176.900 176.094 -0.742 0.000 1.100 129 V CA 0.999 62.916 62.300 -0.639 0.000 1.122 129 V CB -1.066 30.284 31.823 -0.788 0.000 0.721 129 V HN 0.079 nan 8.190 nan 0.000 0.483 130 Y N 0.089 119.972 120.300 -0.695 0.000 2.485 130 Y HA 0.410 4.960 4.550 -0.000 0.000 0.260 130 Y C 1.139 176.728 175.900 -0.519 0.000 1.173 130 Y CA -1.742 55.749 58.100 -1.014 0.000 1.252 130 Y CB -1.028 37.105 38.460 -0.546 0.000 1.123 130 Y HN 0.258 nan 8.280 nan 0.000 0.524 131 N N 1.584 120.178 118.700 -0.178 0.000 2.414 131 N HA -0.038 4.702 4.740 -0.000 0.000 0.268 131 N C 1.259 176.524 175.510 -0.408 0.000 1.286 131 N CA 0.705 53.663 53.050 -0.154 0.000 0.896 131 N CB 1.131 39.609 38.487 -0.015 0.000 1.093 131 N HN 0.471 nan 8.380 nan 0.000 0.480 132 G N 3.224 111.218 108.800 -1.344 0.000 2.985 132 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.209 132 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.209 132 G C 1.393 175.661 174.900 -1.053 0.000 1.165 132 G CA 0.182 44.588 45.100 -1.156 0.000 0.776 132 G HN 0.760 nan 8.290 nan 0.000 0.541 133 K N -0.442 119.270 120.400 -1.147 0.000 2.147 133 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 133 K C 1.686 178.067 176.600 -0.366 0.000 1.049 133 K CA 0.996 56.921 56.287 -0.602 0.000 0.936 133 K CB -0.491 31.722 32.500 -0.478 0.000 0.722 133 K HN 0.383 nan 8.250 nan 0.000 0.446 134 Y N 1.011 121.240 120.300 -0.118 0.000 2.163 134 Y HA -0.137 4.413 4.550 -0.000 0.000 0.288 134 Y C 2.386 178.292 175.900 0.009 0.000 1.136 134 Y CA 0.579 58.660 58.100 -0.031 0.000 1.147 134 Y CB -0.331 38.086 38.460 -0.072 0.000 0.987 134 Y HN 0.022 nan 8.280 nan 0.000 0.509 135 L N 0.401 121.661 121.223 0.061 0.000 2.056 135 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 135 L C 2.347 179.230 176.870 0.021 0.000 1.078 135 L CA 1.854 56.681 54.840 -0.021 0.000 0.749 135 L CB -1.110 40.829 42.059 -0.199 0.000 0.901 135 L HN 0.142 nan 8.230 nan 0.000 0.433 136 A N -1.314 121.528 122.820 0.036 0.000 1.902 136 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 136 A C 2.312 179.981 177.584 0.142 0.000 1.181 136 A CA 1.902 54.009 52.037 0.118 0.000 0.623 136 A CB -1.158 17.971 19.000 0.215 0.000 0.818 136 A HN 0.654 nan 8.150 nan 0.000 0.443 137 Y N 0.914 121.237 120.300 0.038 0.000 2.153 137 Y HA -0.148 4.402 4.550 -0.000 0.000 0.289 137 Y C 2.630 178.558 175.900 0.047 0.000 1.127 137 Y CA 2.375 60.504 58.100 0.048 0.000 1.131 137 Y CB -0.583 37.892 38.460 0.025 0.000 0.995 137 Y HN 0.278 nan 8.280 nan 0.000 0.505 138 T N 0.373 114.961 114.554 0.056 0.000 2.746 138 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 138 T C 1.235 175.899 174.700 -0.060 0.000 1.039 138 T CA 1.674 63.752 62.100 -0.037 0.000 1.142 138 T CB -0.121 68.804 68.868 0.095 0.000 0.866 138 T HN 0.310 nan 8.240 nan 0.000 0.444 139 E N 0.620 120.815 120.200 -0.009 0.000 2.476 139 E HA 0.116 4.465 4.350 -0.000 0.000 0.196 139 E C -0.017 176.582 176.600 -0.001 0.000 1.029 139 E CA -0.007 56.402 56.400 0.013 0.000 0.896 139 E CB 0.049 29.767 29.700 0.030 0.000 1.012 139 E HN 0.588 nan 8.360 nan 0.000 0.475 140 E N 0.144 120.330 120.200 -0.023 0.000 2.230 140 E HA -0.174 4.176 4.350 -0.000 0.000 0.206 140 E C -0.129 176.492 176.600 0.034 0.000 1.309 140 E CA 0.476 56.875 56.400 -0.002 0.000 0.697 140 E CB -1.826 27.863 29.700 -0.018 0.000 1.146 140 E HN 0.131 nan 8.360 nan 0.000 0.363 141 V N -3.626 116.323 119.914 0.059 0.000 3.074 141 V HA 0.682 4.801 4.120 -0.000 0.000 0.314 141 V C 0.290 176.462 176.094 0.129 0.000 1.117 141 V CA -1.118 61.225 62.300 0.072 0.000 1.014 141 V CB 2.346 34.196 31.823 0.045 0.000 1.057 141 V HN -0.030 nan 8.190 nan 0.000 0.438 142 V N 3.464 123.462 119.914 0.140 0.000 2.385 142 V HA 0.401 4.521 4.120 -0.000 0.000 0.269 142 V C -0.058 176.171 176.094 0.225 0.000 1.043 142 V CA -0.061 62.355 62.300 0.194 0.000 0.906 142 V CB 0.879 32.801 31.823 0.166 0.000 0.995 142 V HN 0.780 nan 8.190 nan 0.000 0.467 143 L N 6.919 128.333 121.223 0.319 0.000 2.282 143 L HA 0.673 5.013 4.340 -0.000 0.000 0.288 143 L C -0.532 176.635 176.870 0.495 0.000 1.033 143 L CA 0.060 55.134 54.840 0.391 0.000 0.807 143 L CB 1.612 43.894 42.059 0.372 0.000 1.209 143 L HN 0.432 nan 8.230 nan 0.000 0.423 144 V N 3.356 123.529 119.914 0.432 0.000 2.540 144 V HA 0.606 4.726 4.120 -0.000 0.000 0.302 144 V C -0.422 175.935 176.094 0.439 0.000 1.035 144 V CA -0.526 61.998 62.300 0.373 0.000 0.873 144 V CB 1.968 33.922 31.823 0.220 0.000 0.992 144 V HN 0.842 nan 8.190 nan 0.000 0.428 145 S N 5.180 121.157 115.700 0.461 0.000 2.552 145 S HA 0.830 5.300 4.470 -0.000 0.000 0.314 145 S C -0.754 174.021 174.600 0.293 0.000 1.099 145 S CA -0.754 57.725 58.200 0.464 0.000 1.070 145 S CB 1.491 65.075 63.200 0.640 0.000 0.998 145 S HN 0.695 nan 8.310 nan 0.000 0.474 146 L N 0.910 122.236 121.223 0.172 0.000 2.492 146 L HA 1.011 5.351 4.340 -0.000 0.000 0.263 146 L C 0.047 177.041 176.870 0.207 0.000 1.062 146 L CA -0.698 54.202 54.840 0.099 0.000 0.817 146 L CB 0.349 42.338 42.059 -0.116 0.000 1.441 146 L HN 0.861 nan 8.230 nan 0.000 0.493 147 S N -1.621 114.267 115.700 0.313 0.000 2.618 147 S HA 0.899 5.369 4.470 -0.000 0.000 0.277 147 S C -1.315 173.565 174.600 0.466 0.000 1.138 147 S CA -0.512 57.921 58.200 0.389 0.000 0.844 147 S CB 1.529 65.003 63.200 0.456 0.000 1.127 147 S HN 1.247 nan 8.310 nan 0.000 0.474 148 Y N -1.817 118.606 120.300 0.205 0.000 2.624 148 Y HA 0.694 5.243 4.550 -0.000 0.000 0.334 148 Y C -0.832 175.196 175.900 0.215 0.000 1.155 148 Y CA -1.429 56.780 58.100 0.181 0.000 1.046 148 Y CB 0.592 39.115 38.460 0.106 0.000 1.316 148 Y HN 0.776 nan 8.280 nan 0.000 0.457 149 R N 1.707 122.315 120.500 0.181 0.000 2.537 149 R HA 0.547 4.887 4.340 -0.000 0.000 0.280 149 R C -0.215 176.198 176.300 0.188 0.000 1.058 149 R CA -0.204 55.959 56.100 0.104 0.000 1.057 149 R CB 0.892 31.233 30.300 0.070 0.000 0.973 149 R HN 0.692 nan 8.270 nan 0.000 0.438 150 V N -0.233 119.821 119.914 0.234 0.000 3.166 150 V HA 0.896 5.016 4.120 -0.000 0.000 0.317 150 V C 0.730 177.121 176.094 0.494 0.000 1.136 150 V CA -0.152 62.406 62.300 0.430 0.000 1.035 150 V CB 1.175 33.155 31.823 0.261 0.000 1.110 150 V HN 0.976 nan 8.190 nan 0.000 0.450 151 G N 0.455 109.595 108.800 0.565 0.000 2.601 151 G HA2 0.042 4.002 3.960 -0.000 0.000 0.261 151 G HA3 0.042 4.002 3.960 -0.000 0.000 0.261 151 G C 0.994 176.059 174.900 0.274 0.000 1.289 151 G CA 0.894 46.273 45.100 0.464 0.000 0.920 151 G HN 2.213 nan 8.290 nan 0.000 0.571 152 A N -1.321 121.343 122.820 -0.260 0.000 1.940 152 A HA 0.164 4.484 4.320 -0.000 0.000 0.219 152 A C 2.246 179.649 177.584 -0.302 0.000 1.176 152 A CA 2.638 54.147 52.037 -0.880 0.000 0.631 152 A CB -0.540 17.713 19.000 -1.244 0.000 0.814 152 A HN 1.008 nan 8.150 nan 0.000 0.446 153 F N 0.025 120.008 119.950 0.056 0.000 2.161 153 F HA -0.072 4.455 4.527 -0.000 0.000 0.300 153 F C 2.452 178.246 175.800 -0.011 0.000 1.089 153 F CA 1.316 59.332 58.000 0.027 0.000 1.282 153 F CB -0.657 38.310 39.000 -0.055 0.000 1.010 153 F HN 0.298 nan 8.300 nan 0.000 0.485 154 G N -2.663 106.182 108.800 0.075 0.000 2.939 154 G HA2 0.081 4.041 3.960 -0.000 0.000 0.216 154 G HA3 0.081 4.041 3.960 -0.000 0.000 0.216 154 G C 0.673 175.040 174.900 -0.888 0.000 1.125 154 G CA 0.061 44.935 45.100 -0.377 0.000 0.766 154 G HN 0.329 nan 8.290 nan 0.000 0.541 155 F N -0.365 119.649 119.950 0.106 0.000 2.880 155 F HA 0.420 4.947 4.527 -0.000 0.000 0.328 155 F C 0.245 176.087 175.800 0.070 0.000 1.146 155 F CA -1.063 56.983 58.000 0.078 0.000 1.135 155 F CB 0.442 39.502 39.000 0.100 0.000 1.151 155 F HN -0.083 nan 8.300 nan 0.000 0.523 156 L N 2.326 123.540 121.223 -0.016 0.000 2.540 156 L HA 0.492 4.832 4.340 -0.000 0.000 0.276 156 L C 0.095 176.938 176.870 -0.046 0.000 1.212 156 L CA 0.090 54.822 54.840 -0.180 0.000 0.893 156 L CB 0.281 41.957 42.059 -0.639 0.000 1.138 156 L HN 0.165 nan 8.230 nan 0.000 0.491 157 A N 6.887 129.724 122.820 0.029 0.000 2.411 157 A HA 0.634 4.954 4.320 -0.000 0.000 0.285 157 A C -0.985 176.614 177.584 0.025 0.000 1.129 157 A CA -0.473 51.587 52.037 0.037 0.000 0.736 157 A CB 0.588 19.638 19.000 0.084 0.000 1.186 157 A HN 0.693 nan 8.150 nan 0.000 0.445 158 L N 3.712 124.941 121.223 0.010 0.000 2.445 158 L HA 0.261 4.601 4.340 -0.000 0.000 0.252 158 L C 0.069 176.980 176.870 0.069 0.000 1.105 158 L CA -0.839 54.012 54.840 0.017 0.000 0.943 158 L CB 0.439 42.475 42.059 -0.038 0.000 1.277 158 L HN 0.879 nan 8.230 nan 0.000 0.465 159 H N 1.826 120.895 119.070 -0.002 0.000 3.092 159 H HA 0.196 4.752 4.556 -0.000 0.000 0.332 159 H C 1.185 176.517 175.328 0.007 0.000 1.029 159 H CA 1.569 57.623 56.048 0.010 0.000 1.376 159 H CB 0.914 30.685 29.762 0.015 0.000 1.329 159 H HN 0.701 nan 8.280 nan 0.000 0.598 160 G N 2.457 110.979 108.800 -0.464 0.000 2.399 160 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 160 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 160 G C 0.602 175.415 174.900 -0.144 0.000 1.096 160 G CA 0.368 45.271 45.100 -0.329 0.000 0.650 160 G HN 0.920 nan 8.290 nan 0.000 0.512 161 S N 0.255 115.910 115.700 -0.075 0.000 2.592 161 S HA 0.544 5.014 4.470 -0.000 0.000 0.271 161 S C 1.058 175.652 174.600 -0.011 0.000 1.326 161 S CA 0.573 58.754 58.200 -0.031 0.000 1.024 161 S CB 1.194 64.384 63.200 -0.016 0.000 0.921 161 S HN 0.308 nan 8.310 nan 0.000 0.527 162 Q N 1.263 121.065 119.800 0.005 0.000 2.217 162 Q HA 0.229 4.569 4.340 -0.000 0.000 0.217 162 Q C 0.737 176.760 176.000 0.039 0.000 0.844 162 Q CA 0.088 55.903 55.803 0.020 0.000 0.957 162 Q CB 0.467 29.214 28.738 0.016 0.000 1.127 162 Q HN 0.695 nan 8.270 nan 0.000 0.503 163 E N 0.344 120.570 120.200 0.043 0.000 2.307 163 E HA 0.170 4.520 4.350 -0.000 0.000 0.195 163 E C 0.171 176.829 176.600 0.096 0.000 0.975 163 E CA 0.387 56.831 56.400 0.073 0.000 0.878 163 E CB 0.785 30.531 29.700 0.077 0.000 0.845 163 E HN 0.093 nan 8.360 nan 0.000 0.488 164 A N 1.800 124.647 122.820 0.044 0.000 3.266 164 A HA 0.415 4.735 4.320 -0.000 0.000 0.310 164 A C -2.229 175.364 177.584 0.014 0.000 1.066 164 A CA -1.040 51.003 52.037 0.009 0.000 0.839 164 A CB 0.660 19.577 19.000 -0.138 0.000 1.192 164 A HN -0.138 nan 8.150 nan 0.000 0.496 165 P HA 0.157 nan 4.420 nan 0.000 0.220 165 P C 0.950 178.300 177.300 0.084 0.000 1.152 165 P CA 1.873 65.017 63.100 0.075 0.000 0.812 165 P CB 0.265 32.009 31.700 0.074 0.000 0.792 166 G N -0.768 108.061 108.800 0.048 0.000 2.662 166 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.686 166 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.686 166 G C -0.273 174.633 174.900 0.011 0.000 1.271 166 G CA -0.313 44.817 45.100 0.050 0.000 0.816 166 G HN 0.097 nan 8.290 nan 0.000 0.608 167 N N -2.391 116.314 118.700 0.009 0.000 2.753 167 N HA -0.278 4.462 4.740 -0.000 0.000 0.251 167 N C 1.876 177.248 175.510 -0.229 0.000 1.097 167 N CA 2.441 55.426 53.050 -0.108 0.000 0.786 167 N CB -1.702 36.639 38.487 -0.244 0.000 1.137 167 N HN 1.923 nan 8.380 nan 0.000 0.566 168 V N -2.802 116.966 119.914 -0.243 0.000 2.626 168 V HA 0.028 4.148 4.120 -0.000 0.000 0.252 168 V C 2.263 178.236 176.094 -0.201 0.000 1.067 168 V CA 2.235 64.440 62.300 -0.160 0.000 1.081 168 V CB -0.811 30.959 31.823 -0.088 0.000 0.686 168 V HN 0.279 nan 8.190 nan 0.000 0.468 169 G N 0.279 108.772 108.800 -0.512 0.000 2.422 169 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.218 169 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.218 169 G C 1.537 176.435 174.900 -0.002 0.000 1.140 169 G CA 0.997 45.946 45.100 -0.253 0.000 0.775 169 G HN 0.524 nan 8.290 nan 0.000 0.545 170 L N -0.153 121.016 121.223 -0.089 0.000 2.109 170 L HA 0.088 4.427 4.340 -0.000 0.000 0.207 170 L C 2.802 179.730 176.870 0.096 0.000 1.086 170 L CA 0.398 55.163 54.840 -0.124 0.000 0.760 170 L CB -0.265 41.402 42.059 -0.654 0.000 0.910 170 L HN 0.181 nan 8.230 nan 0.000 0.437 171 L N -0.596 120.674 121.223 0.079 0.000 2.141 171 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 171 L C 2.147 179.118 176.870 0.168 0.000 1.094 171 L CA 0.798 55.751 54.840 0.188 0.000 0.763 171 L CB -0.583 41.557 42.059 0.136 0.000 0.908 171 L HN 0.274 nan 8.230 nan 0.000 0.437 172 D N -0.044 120.449 120.400 0.155 0.000 2.097 172 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 172 D C 2.257 178.678 176.300 0.202 0.000 0.989 172 D CA 1.151 55.307 54.000 0.260 0.000 0.827 172 D CB -0.197 40.788 40.800 0.308 0.000 0.966 172 D HN 0.370 nan 8.370 nan 0.000 0.456 173 Q N 0.183 120.048 119.800 0.109 0.000 2.061 173 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 173 Q C 2.313 178.263 176.000 -0.083 0.000 0.984 173 Q CA 1.266 57.053 55.803 -0.027 0.000 0.846 173 Q CB -0.095 28.652 28.738 0.015 0.000 0.902 173 Q HN 0.192 nan 8.270 nan 0.000 0.421 174 R N 0.453 120.986 120.500 0.055 0.000 2.091 174 R HA -0.164 4.175 4.340 -0.000 0.000 0.238 174 R C 2.216 178.512 176.300 -0.008 0.000 1.136 174 R CA 1.611 57.714 56.100 0.005 0.000 0.959 174 R CB -0.181 30.206 30.300 0.145 0.000 0.856 174 R HN 0.287 nan 8.270 nan 0.000 0.437 175 M N -0.138 119.494 119.600 0.053 0.000 2.159 175 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 175 M C 2.054 178.331 176.300 -0.038 0.000 1.063 175 M CA 1.873 57.235 55.300 0.102 0.000 1.110 175 M CB 0.011 32.769 32.600 0.264 0.000 1.374 175 M HN 0.307 nan 8.290 nan 0.000 0.411 176 A N 0.285 122.844 122.820 -0.434 0.000 1.930 176 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 176 A C 1.994 179.443 177.584 -0.225 0.000 1.175 176 A CA 1.268 52.800 52.037 -0.841 0.000 0.627 176 A CB -0.896 17.404 19.000 -1.167 0.000 0.815 176 A HN 0.566 nan 8.150 nan 0.000 0.443 177 L N -1.086 120.046 121.223 -0.151 0.000 2.093 177 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 177 L C 2.852 179.759 176.870 0.062 0.000 1.085 177 L CA 1.706 56.522 54.840 -0.039 0.000 0.755 177 L CB -0.452 41.548 42.059 -0.098 0.000 0.904 177 L HN 0.485 nan 8.230 nan 0.000 0.435 178 Q N -0.345 119.487 119.800 0.053 0.000 2.119 178 Q HA -0.254 4.086 4.340 -0.000 0.000 0.201 178 Q C 1.978 178.075 176.000 0.160 0.000 0.972 178 Q CA 1.817 57.666 55.803 0.076 0.000 0.847 178 Q CB -0.464 28.307 28.738 0.054 0.000 0.903 178 Q HN 0.471 nan 8.270 nan 0.000 0.433 179 W N -0.713 120.597 121.300 0.017 0.000 2.358 179 W HA -0.161 4.499 4.660 -0.000 0.000 0.303 179 W C 1.744 178.298 176.519 0.058 0.000 1.208 179 W CA 1.680 59.059 57.345 0.056 0.000 1.274 179 W CB -0.130 29.360 29.460 0.049 0.000 1.138 179 W HN 0.009 nan 8.180 nan 0.000 0.515 180 V N 0.050 120.177 119.914 0.355 0.000 2.343 180 V HA -0.365 3.754 4.120 -0.000 0.000 0.247 180 V C 2.554 178.675 176.094 0.044 0.000 1.051 180 V CA 2.333 64.770 62.300 0.229 0.000 1.036 180 V CB -1.316 30.627 31.823 0.200 0.000 0.654 180 V HN 0.349 nan 8.190 nan 0.000 0.451 181 H N 0.352 119.409 119.070 -0.021 0.000 2.387 181 H HA -0.168 4.388 4.556 -0.000 0.000 0.299 181 H C 1.796 177.041 175.328 -0.139 0.000 1.099 181 H CA 1.998 58.009 56.048 -0.063 0.000 1.315 181 H CB 0.074 29.815 29.762 -0.035 0.000 1.380 181 H HN 0.448 nan 8.280 nan 0.000 0.513 182 D N -0.504 119.862 120.400 -0.058 0.000 2.305 182 D HA -0.022 4.618 4.640 -0.000 0.000 0.206 182 D C 1.234 177.329 176.300 -0.342 0.000 0.974 182 D CA 0.353 54.252 54.000 -0.169 0.000 0.871 182 D CB 0.127 40.869 40.800 -0.096 0.000 0.947 182 D HN 0.454 nan 8.370 nan 0.000 0.516 183 N N -0.006 118.399 118.700 -0.491 0.000 2.239 183 N HA 0.030 4.770 4.740 -0.000 0.000 0.208 183 N C 1.547 176.910 175.510 -0.245 0.000 1.200 183 N CA -0.164 52.606 53.050 -0.466 0.000 0.895 183 N CB 1.089 38.946 38.487 -1.050 0.000 1.085 183 N HN 0.004 nan 8.380 nan 0.000 0.500 184 I N 3.194 123.652 120.570 -0.185 0.000 2.423 184 I HA -0.259 3.911 4.170 -0.000 0.000 0.254 184 I C 2.519 178.630 176.117 -0.010 0.000 1.151 184 I CA 1.413 62.739 61.300 0.043 0.000 1.421 184 I CB -0.205 37.808 38.000 0.022 0.000 1.079 184 I HN 0.196 nan 8.210 nan 0.000 0.431 185 Q N -0.996 118.612 119.800 -0.319 0.000 2.291 185 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 185 Q C 1.709 177.506 176.000 -0.339 0.000 0.976 185 Q CA 1.552 57.129 55.803 -0.376 0.000 0.875 185 Q CB -0.777 27.627 28.738 -0.557 0.000 0.927 185 Q HN 0.417 nan 8.270 nan 0.000 0.450 186 F N -0.449 119.445 119.950 -0.093 0.000 2.748 186 F HA 0.141 4.668 4.527 -0.000 0.000 0.299 186 F C 0.727 176.258 175.800 -0.448 0.000 1.154 186 F CA 0.099 57.928 58.000 -0.284 0.000 1.446 186 F CB -0.000 38.746 39.000 -0.422 0.000 1.112 186 F HN 0.003 nan 8.300 nan 0.000 0.584 187 F N -0.791 119.166 119.950 0.012 0.000 2.661 187 F HA 0.449 4.976 4.527 -0.000 0.000 0.306 187 F C 1.662 177.476 175.800 0.023 0.000 1.094 187 F CA 0.161 58.151 58.000 -0.016 0.000 1.254 187 F CB 0.226 39.186 39.000 -0.068 0.000 1.040 187 F HN -0.013 nan 8.300 nan 0.000 0.562 188 G N 0.416 109.293 108.800 0.129 0.000 2.141 188 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.231 188 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.231 188 G C 0.445 175.389 174.900 0.074 0.000 0.984 188 G CA -0.296 44.857 45.100 0.089 0.000 0.660 188 G HN 0.718 nan 8.290 nan 0.000 0.525 189 G N -0.688 108.154 108.800 0.070 0.000 2.434 189 G HA2 0.534 4.493 3.960 -0.000 0.000 0.330 189 G HA3 0.534 4.493 3.960 -0.000 0.000 0.330 189 G C -1.053 173.833 174.900 -0.024 0.000 1.155 189 G CA 0.053 45.178 45.100 0.042 0.000 0.917 189 G HN 0.224 nan 8.290 nan 0.000 0.493 190 D N 1.247 121.632 120.400 -0.026 0.000 2.396 190 D HA 0.351 4.991 4.640 -0.000 0.000 0.225 190 D C -1.473 174.786 176.300 -0.070 0.000 1.121 190 D CA -2.315 51.649 54.000 -0.060 0.000 0.853 190 D CB 1.975 42.748 40.800 -0.046 0.000 1.043 190 D HN -0.043 nan 8.370 nan 0.000 0.500 191 P HA -0.114 nan 4.420 nan 0.000 0.219 191 P C 0.671 177.916 177.300 -0.093 0.000 1.146 191 P CA 1.193 64.198 63.100 -0.159 0.000 0.808 191 P CB 0.285 31.770 31.700 -0.359 0.000 0.779 192 K N -1.685 118.661 120.400 -0.089 0.000 2.366 192 K HA 0.061 4.381 4.320 -0.000 0.000 0.198 192 K C 0.259 176.841 176.600 -0.030 0.000 1.044 192 K CA 0.893 57.149 56.287 -0.052 0.000 0.973 192 K CB -0.152 32.311 32.500 -0.062 0.000 0.767 192 K HN 0.063 nan 8.250 nan 0.000 0.475 193 T N 1.404 115.942 114.554 -0.026 0.000 3.427 193 T HA 0.185 4.535 4.350 -0.000 0.000 0.306 193 T C -0.963 173.741 174.700 0.007 0.000 1.733 193 T CA -0.342 61.744 62.100 -0.022 0.000 1.599 193 T CB 0.730 69.573 68.868 -0.043 0.000 0.964 193 T HN -0.115 nan 8.240 nan 0.000 0.701 194 V N 2.124 122.070 119.914 0.053 0.000 2.483 194 V HA 0.693 4.812 4.120 -0.000 0.000 0.295 194 V C -0.466 175.712 176.094 0.140 0.000 1.035 194 V CA -0.041 62.318 62.300 0.099 0.000 0.896 194 V CB 1.749 33.653 31.823 0.135 0.000 0.986 194 V HN 0.574 nan 8.190 nan 0.000 0.447 195 T N 8.341 122.962 114.554 0.112 0.000 2.792 195 T HA 0.545 4.895 4.350 -0.000 0.000 0.280 195 T C -0.236 174.567 174.700 0.171 0.000 0.990 195 T CA -0.154 62.018 62.100 0.121 0.000 0.960 195 T CB 0.897 69.776 68.868 0.019 0.000 0.939 195 T HN 0.783 nan 8.240 nan 0.000 0.439 196 I N 1.667 122.306 120.570 0.115 0.000 2.392 196 I HA 0.881 5.051 4.170 -0.000 0.000 0.295 196 I C -1.008 175.268 176.117 0.264 0.000 0.985 196 I CA -1.013 60.347 61.300 0.100 0.000 1.221 196 I CB 0.965 38.791 38.000 -0.291 0.000 1.366 196 I HN 0.506 nan 8.210 nan 0.000 0.467 197 F N 3.185 123.140 119.950 0.008 0.000 2.608 197 F HA 0.989 5.516 4.527 -0.000 0.000 0.309 197 F C -0.505 175.227 175.800 -0.113 0.000 1.103 197 F CA -1.352 56.684 58.000 0.061 0.000 0.954 197 F CB 1.254 40.417 39.000 0.272 0.000 1.267 197 F HN 0.813 nan 8.300 nan 0.000 0.444 198 G N 1.128 109.746 108.800 -0.302 0.000 2.677 198 G HA2 0.496 4.455 3.960 -0.000 0.000 0.291 198 G HA3 0.496 4.455 3.960 -0.000 0.000 0.291 198 G C -2.437 172.238 174.900 -0.375 0.000 1.435 198 G CA -0.801 43.741 45.100 -0.930 0.000 0.826 198 G HN 0.837 nan 8.290 nan 0.000 0.491 199 E N 0.453 120.429 120.200 -0.373 0.000 2.191 199 E HA 0.585 4.935 4.350 -0.000 0.000 0.274 199 E C 0.890 177.462 176.600 -0.046 0.000 0.948 199 E CA 0.335 56.742 56.400 0.012 0.000 0.802 199 E CB 1.884 31.731 29.700 0.245 0.000 1.137 199 E HN 0.728 nan 8.360 nan 0.000 0.397 200 S N 3.269 119.010 115.700 0.069 0.000 4.157 200 S HA -0.413 4.057 4.470 -0.000 0.000 0.539 200 S C 1.513 176.189 174.600 0.127 0.000 1.854 200 S CA 2.586 60.900 58.200 0.190 0.000 4.235 200 S CB -1.620 61.721 63.200 0.235 0.000 0.383 200 S HN 0.900 nan 8.310 nan 0.000 0.457 201 A N 1.164 123.937 122.820 -0.078 0.000 1.969 201 A HA 0.255 4.574 4.320 -0.000 0.000 0.218 201 A C 2.445 179.774 177.584 -0.426 0.000 1.169 201 A CA 2.165 53.938 52.037 -0.440 0.000 0.635 201 A CB -1.401 17.073 19.000 -0.877 0.000 0.810 201 A HN 1.468 nan 8.150 nan 0.000 0.445 202 G N -0.649 107.972 108.800 -0.299 0.000 2.421 202 G HA2 0.107 4.067 3.960 -0.000 0.000 0.217 202 G HA3 0.107 4.067 3.960 -0.000 0.000 0.217 202 G C 1.439 176.171 174.900 -0.280 0.000 1.143 202 G CA 1.113 45.994 45.100 -0.365 0.000 0.784 202 G HN 0.635 nan 8.290 nan 0.000 0.541 203 G N 1.066 109.764 108.800 -0.171 0.000 2.402 203 G HA2 0.099 4.059 3.960 -0.000 0.000 0.216 203 G HA3 0.099 4.059 3.960 -0.000 0.000 0.216 203 G C 2.025 176.836 174.900 -0.149 0.000 1.162 203 G CA 1.394 46.426 45.100 -0.114 0.000 0.777 203 G HN 0.567 nan 8.290 nan 0.000 0.539 204 A N 0.862 123.610 122.820 -0.120 0.000 1.902 204 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 204 A C 2.698 180.227 177.584 -0.092 0.000 1.181 204 A CA 2.236 54.186 52.037 -0.144 0.000 0.623 204 A CB -0.633 18.306 19.000 -0.102 0.000 0.818 204 A HN 0.301 nan 8.150 nan 0.000 0.443 205 S N -0.431 115.233 115.700 -0.060 0.000 2.359 205 S HA -0.152 4.318 4.470 -0.000 0.000 0.224 205 S C 1.921 176.441 174.600 -0.133 0.000 1.035 205 S CA 1.457 59.598 58.200 -0.098 0.000 1.018 205 S CB -0.570 62.532 63.200 -0.162 0.000 0.876 205 S HN 0.342 nan 8.310 nan 0.000 0.448 206 V N 1.621 121.466 119.914 -0.115 0.000 2.282 206 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 206 V C 2.595 178.642 176.094 -0.078 0.000 1.057 206 V CA 2.093 64.335 62.300 -0.096 0.000 1.032 206 V CB -1.439 30.305 31.823 -0.131 0.000 0.645 206 V HN 0.616 nan 8.190 nan 0.000 0.447 207 G N -1.303 107.403 108.800 -0.157 0.000 2.443 207 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 207 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 207 G C 1.563 176.454 174.900 -0.015 0.000 1.131 207 G CA 0.841 45.826 45.100 -0.192 0.000 0.775 207 G HN 0.461 nan 8.290 nan 0.000 0.547 208 M N -0.305 119.299 119.600 0.008 0.000 2.254 208 M HA 0.046 4.526 4.480 -0.000 0.000 0.265 208 M C 2.215 178.644 176.300 0.215 0.000 1.066 208 M CA 0.766 56.188 55.300 0.203 0.000 1.123 208 M CB -0.227 32.494 32.600 0.201 0.000 1.388 208 M HN 0.162 nan 8.290 nan 0.000 0.425 209 H N -0.044 119.154 119.070 0.213 0.000 2.462 209 H HA 0.049 4.605 4.556 -0.000 0.000 0.292 209 H C 2.052 177.583 175.328 0.339 0.000 1.049 209 H CA 1.203 57.376 56.048 0.208 0.000 1.334 209 H CB -0.132 29.665 29.762 0.057 0.000 1.404 209 H HN 0.410 nan 8.280 nan 0.000 0.544 210 I N 0.247 121.086 120.570 0.449 0.000 2.439 210 I HA -0.199 3.971 4.170 -0.000 0.000 0.251 210 I C 2.146 178.504 176.117 0.401 0.000 1.139 210 I CA 0.676 62.276 61.300 0.500 0.000 1.438 210 I CB 0.040 38.280 38.000 0.400 0.000 1.085 210 I HN 0.124 nan 8.210 nan 0.000 0.427 211 L N -0.679 120.749 121.223 0.341 0.000 2.127 211 L HA -0.010 4.330 4.340 -0.000 0.000 0.203 211 L C 1.487 178.496 176.870 0.232 0.000 1.080 211 L CA 0.253 55.298 54.840 0.343 0.000 0.768 211 L CB -0.183 42.105 42.059 0.382 0.000 0.924 211 L HN 0.068 nan 8.230 nan 0.000 0.444 212 S N 0.064 115.824 115.700 0.100 0.000 2.488 212 S HA 0.109 4.579 4.470 -0.000 0.000 0.278 212 S C -1.513 172.988 174.600 -0.166 0.000 1.259 212 S CA -1.371 56.696 58.200 -0.222 0.000 1.061 212 S CB 0.970 63.634 63.200 -0.894 0.000 0.910 212 S HN -0.085 nan 8.310 nan 0.000 0.491 213 P HA -0.057 nan 4.420 nan 0.000 0.216 213 P C 1.401 178.616 177.300 -0.141 0.000 1.150 213 P CA 1.167 64.203 63.100 -0.106 0.000 0.843 213 P CB -0.087 31.558 31.700 -0.092 0.000 0.787 214 G N -1.656 107.008 108.800 -0.227 0.000 2.679 214 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.212 214 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.212 214 G C 1.377 176.185 174.900 -0.155 0.000 1.137 214 G CA 0.516 45.495 45.100 -0.201 0.000 0.787 214 G HN 0.228 nan 8.290 nan 0.000 0.534 215 S N -0.561 115.068 115.700 -0.118 0.000 2.514 215 S HA 0.117 4.587 4.470 -0.000 0.000 0.223 215 S C 2.205 176.870 174.600 0.108 0.000 1.046 215 S CA -0.417 57.812 58.200 0.049 0.000 0.914 215 S CB 0.200 63.556 63.200 0.261 0.000 0.807 215 S HN 0.337 nan 8.310 nan 0.000 0.497 216 R N 1.912 122.424 120.500 0.020 0.000 2.140 216 R HA -0.140 4.200 4.340 -0.000 0.000 0.250 216 R C 0.659 176.764 176.300 -0.325 0.000 1.150 216 R CA 1.729 57.743 56.100 -0.143 0.000 0.966 216 R CB -0.426 29.820 30.300 -0.090 0.000 0.869 216 R HN 0.317 nan 8.270 nan 0.000 0.445 217 D N 0.184 120.469 120.400 -0.191 0.000 2.349 217 D HA 0.005 4.645 4.640 -0.000 0.000 0.224 217 D C 1.109 177.322 176.300 -0.145 0.000 1.029 217 D CA 0.583 54.473 54.000 -0.184 0.000 0.879 217 D CB 0.207 40.921 40.800 -0.143 0.000 0.906 217 D HN 0.261 nan 8.370 nan 0.000 0.528 218 L N -0.035 121.140 121.223 -0.080 0.000 2.628 218 L HA 0.184 4.524 4.340 -0.000 0.000 0.229 218 L C -0.201 176.821 176.870 0.253 0.000 1.137 218 L CA -0.123 54.757 54.840 0.066 0.000 0.909 218 L CB -0.262 41.836 42.059 0.065 0.000 1.137 218 L HN -0.078 nan 8.230 nan 0.000 0.470 219 F N -4.794 115.168 119.950 0.020 0.000 2.719 219 F HA 0.509 5.036 4.527 -0.000 0.000 0.309 219 F C 0.298 176.119 175.800 0.034 0.000 1.138 219 F CA -1.347 56.671 58.000 0.031 0.000 0.943 219 F CB 1.043 40.058 39.000 0.025 0.000 1.304 219 F HN -0.392 nan 8.300 nan 0.000 0.445 220 R N 1.183 121.761 120.500 0.131 0.000 2.052 220 R HA 0.375 4.715 4.340 -0.000 0.000 0.224 220 R C 0.240 176.603 176.300 0.104 0.000 1.149 220 R CA 1.741 57.855 56.100 0.023 0.000 0.962 220 R CB 0.112 30.418 30.300 0.011 0.000 0.856 220 R HN 0.833 nan 8.270 nan 0.000 0.433 221 R N -1.691 118.973 120.500 0.274 0.000 2.906 221 R HA 0.795 5.135 4.340 -0.000 0.000 0.258 221 R C -1.393 175.162 176.300 0.425 0.000 1.156 221 R CA -0.710 55.586 56.100 0.327 0.000 0.996 221 R CB 1.083 31.442 30.300 0.098 0.000 1.259 221 R HN 0.095 nan 8.270 nan 0.000 0.462 222 A N 0.581 123.624 122.820 0.372 0.000 2.572 222 A HA 0.703 5.023 4.320 -0.000 0.000 0.295 222 A C -1.175 176.507 177.584 0.162 0.000 1.072 222 A CA -0.882 51.289 52.037 0.222 0.000 0.691 222 A CB 1.629 20.702 19.000 0.122 0.000 1.291 222 A HN 0.595 nan 8.150 nan 0.000 0.404 223 I N 1.637 122.266 120.570 0.098 0.000 2.418 223 I HA 0.359 4.529 4.170 -0.000 0.000 0.287 223 I C -1.460 174.703 176.117 0.076 0.000 1.008 223 I CA -0.594 60.698 61.300 -0.013 0.000 1.104 223 I CB 1.774 39.729 38.000 -0.074 0.000 1.264 223 I HN 0.413 nan 8.210 nan 0.000 0.438 224 L N 6.850 128.088 121.223 0.025 0.000 2.298 224 L HA 0.423 4.763 4.340 -0.000 0.000 0.284 224 L C -0.353 176.596 176.870 0.132 0.000 1.013 224 L CA -0.230 54.630 54.840 0.034 0.000 0.824 224 L CB 1.372 43.385 42.059 -0.077 0.000 1.221 224 L HN 0.491 nan 8.230 nan 0.000 0.418 225 Q N 1.970 121.902 119.800 0.219 0.000 2.347 225 Q HA 0.453 4.793 4.340 -0.000 0.000 0.262 225 Q C 0.050 176.178 176.000 0.213 0.000 0.980 225 Q CA -0.579 55.423 55.803 0.332 0.000 0.867 225 Q CB 1.420 30.458 28.738 0.500 0.000 1.242 225 Q HN 0.636 nan 8.270 nan 0.000 0.453 226 S N 1.101 116.913 115.700 0.187 0.000 3.559 226 S HA -0.164 4.306 4.470 -0.000 0.000 0.369 226 S C 0.036 174.770 174.600 0.225 0.000 0.987 226 S CA 0.584 58.906 58.200 0.204 0.000 1.187 226 S CB -1.168 62.188 63.200 0.260 0.000 0.914 226 S HN 0.992 nan 8.310 nan 0.000 0.480 227 G N -0.404 108.470 108.800 0.124 0.000 2.596 227 G HA2 0.602 4.562 3.960 -0.000 0.000 0.296 227 G HA3 0.602 4.562 3.960 -0.000 0.000 0.296 227 G C -0.970 173.873 174.900 -0.095 0.000 1.513 227 G CA 0.120 45.288 45.100 0.113 0.000 0.851 227 G HN 1.150 nan 8.290 nan 0.000 0.548 228 S N 1.089 116.661 115.700 -0.214 0.000 2.596 228 S HA 0.798 5.268 4.470 -0.000 0.000 0.270 228 S C -2.148 172.170 174.600 -0.469 0.000 1.155 228 S CA -0.963 56.962 58.200 -0.459 0.000 0.827 228 S CB 2.880 65.773 63.200 -0.512 0.000 1.130 228 S HN 0.435 nan 8.310 nan 0.000 0.467 229 P HA -0.133 nan 4.420 nan 0.000 0.216 229 P C 0.674 177.749 177.300 -0.374 0.000 1.150 229 P CA 1.414 64.286 63.100 -0.380 0.000 0.837 229 P CB -0.360 31.166 31.700 -0.290 0.000 0.786 230 N N -0.602 117.911 118.700 -0.312 0.000 2.434 230 N HA -0.027 4.713 4.740 -0.000 0.000 0.196 230 N C 0.075 175.374 175.510 -0.353 0.000 1.183 230 N CA -0.102 52.801 53.050 -0.246 0.000 0.849 230 N CB -1.363 37.101 38.487 -0.039 0.000 0.992 230 N HN 0.057 nan 8.380 nan 0.000 0.460 231 C N 2.694 121.671 119.300 -0.539 0.000 2.657 231 C HA 0.101 4.561 4.460 -0.000 0.000 0.420 231 C C -0.142 174.388 174.990 -0.767 0.000 1.323 231 C CA -0.964 57.605 59.018 -0.749 0.000 1.894 231 C CB 1.135 28.128 27.740 -1.246 0.000 2.681 231 C HN 0.363 nan 8.230 nan 0.000 0.613 232 P HA -0.103 nan 4.420 nan 0.000 0.225 232 P C 1.008 178.111 177.300 -0.327 0.000 1.148 232 P CA 1.765 64.592 63.100 -0.454 0.000 0.779 232 P CB -0.025 31.396 31.700 -0.465 0.000 0.780 233 W N -1.946 119.221 121.300 -0.223 0.000 2.998 233 W HA 0.584 5.244 4.660 -0.000 0.000 0.336 233 W C 1.105 177.670 176.519 0.078 0.000 1.112 233 W CA 0.324 57.614 57.345 -0.091 0.000 1.682 233 W CB -0.861 28.556 29.460 -0.071 0.000 1.065 233 W HN -0.144 nan 8.180 nan 0.000 0.570 234 A N 1.583 123.986 122.820 -0.695 0.000 2.167 234 A HA 0.180 4.500 4.320 -0.000 0.000 0.214 234 A C 1.041 178.459 177.584 -0.277 0.000 1.151 234 A CA 1.300 53.058 52.037 -0.465 0.000 0.735 234 A CB -0.547 17.939 19.000 -0.858 0.000 0.802 234 A HN 0.257 nan 8.150 nan 0.000 0.467 235 S N -2.108 113.423 115.700 -0.282 0.000 2.611 235 S HA 0.628 5.098 4.470 -0.000 0.000 0.268 235 S C -0.869 173.603 174.600 -0.213 0.000 1.156 235 S CA -0.081 57.950 58.200 -0.283 0.000 0.817 235 S CB 1.170 64.148 63.200 -0.369 0.000 1.122 235 S HN 1.418 nan 8.310 nan 0.000 0.466 236 V N -1.103 118.699 119.914 -0.186 0.000 3.188 236 V HA 0.937 5.057 4.120 -0.000 0.000 0.305 236 V C 0.070 176.086 176.094 -0.131 0.000 1.232 236 V CA -0.389 61.824 62.300 -0.146 0.000 1.043 236 V CB 1.111 32.861 31.823 -0.122 0.000 1.068 236 V HN 1.624 nan 8.190 nan 0.000 0.439 237 S N 0.770 116.403 115.700 -0.110 0.000 2.614 237 S HA 0.396 4.866 4.470 -0.000 0.000 0.265 237 S C 1.365 175.914 174.600 -0.084 0.000 1.303 237 S CA -0.000 58.141 58.200 -0.098 0.000 1.000 237 S CB 1.273 64.425 63.200 -0.079 0.000 0.935 237 S HN 2.146 nan 8.310 nan 0.000 0.551 238 V N -0.497 119.358 119.914 -0.097 0.000 2.332 238 V HA -0.113 4.007 4.120 -0.000 0.000 0.248 238 V C 2.677 178.753 176.094 -0.030 0.000 1.055 238 V CA 1.967 64.214 62.300 -0.088 0.000 1.038 238 V CB -2.179 29.540 31.823 -0.172 0.000 0.651 238 V HN 1.032 nan 8.190 nan 0.000 0.450 239 A N 0.629 123.431 122.820 -0.030 0.000 1.865 239 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 239 A C 2.232 179.797 177.584 -0.032 0.000 1.191 239 A CA 2.269 54.295 52.037 -0.018 0.000 0.623 239 A CB -0.821 18.169 19.000 -0.018 0.000 0.826 239 A HN 0.645 nan 8.150 nan 0.000 0.444 240 E N 0.108 120.278 120.200 -0.051 0.000 2.110 240 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 240 E C 1.938 178.494 176.600 -0.074 0.000 0.988 240 E CA 1.575 57.931 56.400 -0.074 0.000 0.804 240 E CB -0.832 28.812 29.700 -0.092 0.000 0.745 240 E HN 0.424 nan 8.360 nan 0.000 0.458 241 G N 0.563 109.333 108.800 -0.050 0.000 2.421 241 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.216 241 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.216 241 G C 1.751 176.655 174.900 0.007 0.000 1.171 241 G CA 0.826 45.916 45.100 -0.018 0.000 0.775 241 G HN 0.334 nan 8.290 nan 0.000 0.543 242 R N 0.335 120.838 120.500 0.005 0.000 2.073 242 R HA -0.003 4.337 4.340 -0.000 0.000 0.234 242 R C 2.558 178.854 176.300 -0.006 0.000 1.134 242 R CA 1.413 57.518 56.100 0.009 0.000 0.952 242 R CB -0.385 29.925 30.300 0.017 0.000 0.850 242 R HN 0.319 nan 8.270 nan 0.000 0.433 243 R N 0.493 120.979 120.500 -0.023 0.000 2.096 243 R HA -0.150 4.190 4.340 -0.000 0.000 0.240 243 R C 2.195 178.469 176.300 -0.043 0.000 1.139 243 R CA 1.956 58.033 56.100 -0.037 0.000 0.952 243 R CB -0.120 30.146 30.300 -0.057 0.000 0.854 243 R HN 0.289 nan 8.270 nan 0.000 0.436 244 R N -0.395 120.068 120.500 -0.062 0.000 2.115 244 R HA -0.024 4.315 4.340 -0.000 0.000 0.230 244 R C 2.269 178.606 176.300 0.062 0.000 1.111 244 R CA 1.032 57.083 56.100 -0.082 0.000 0.976 244 R CB -0.175 29.977 30.300 -0.246 0.000 0.870 244 R HN 0.262 nan 8.270 nan 0.000 0.445 245 A N 0.771 123.648 122.820 0.096 0.000 1.897 245 A HA -0.069 4.250 4.320 -0.000 0.000 0.215 245 A C 2.326 179.918 177.584 0.013 0.000 1.181 245 A CA 1.047 53.136 52.037 0.087 0.000 0.620 245 A CB -0.378 18.623 19.000 0.002 0.000 0.821 245 A HN 0.081 nan 8.150 nan 0.000 0.443 246 V N 0.109 120.023 119.914 0.000 0.000 2.307 246 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 246 V C 2.564 178.658 176.094 0.000 0.000 1.045 246 V CA 2.336 64.631 62.300 -0.008 0.000 1.024 246 V CB -0.702 31.115 31.823 -0.010 0.000 0.651 246 V HN 0.703 nan 8.190 nan 0.000 0.449 247 E N 0.235 120.435 120.200 0.000 0.000 2.209 247 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 247 E C 1.853 178.466 176.600 0.021 0.000 0.993 247 E CA 1.091 57.491 56.400 -0.000 0.000 0.819 247 E CB -0.341 29.345 29.700 -0.024 0.000 0.745 247 E HN 0.462 nan 8.360 nan 0.000 0.477 248 L N -0.423 120.829 121.223 0.048 0.000 2.027 248 L HA 0.088 4.428 4.340 -0.000 0.000 0.206 248 L C 2.194 179.080 176.870 0.025 0.000 1.074 248 L CA 2.367 57.247 54.840 0.067 0.000 0.745 248 L CB -1.104 41.021 42.059 0.110 0.000 0.898 248 L HN 0.208 nan 8.230 nan 0.000 0.433 249 G N -0.840 107.962 108.800 0.004 0.000 2.418 249 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 249 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 249 G C 1.821 176.728 174.900 0.012 0.000 1.158 249 G CA 0.731 45.831 45.100 0.000 0.000 0.771 249 G HN 0.368 nan 8.290 nan 0.000 0.545 250 R N 0.366 120.874 120.500 0.012 0.000 2.091 250 R HA -0.070 4.270 4.340 -0.000 0.000 0.238 250 R C 2.185 178.497 176.300 0.021 0.000 1.136 250 R CA 1.285 57.393 56.100 0.014 0.000 0.959 250 R CB -0.351 29.955 30.300 0.010 0.000 0.856 250 R HN 0.299 nan 8.270 nan 0.000 0.437 251 N N 0.415 119.131 118.700 0.026 0.000 2.453 251 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 251 N C 0.890 176.422 175.510 0.037 0.000 1.041 251 N CA 0.841 53.912 53.050 0.034 0.000 0.900 251 N CB 0.173 38.687 38.487 0.044 0.000 0.961 251 N HN 0.281 nan 8.380 nan 0.000 0.443 252 L N 0.431 121.673 121.223 0.032 0.000 3.014 252 L HA 0.219 4.559 4.340 -0.000 0.000 0.263 252 L C -0.285 176.602 176.870 0.029 0.000 1.207 252 L CA -0.226 54.634 54.840 0.033 0.000 1.017 252 L CB 0.014 42.092 42.059 0.031 0.000 1.360 252 L HN -0.059 nan 8.230 nan 0.000 0.560 253 N N 0.057 118.773 118.700 0.027 0.000 2.714 253 N HA -0.182 4.558 4.740 -0.000 0.000 0.253 253 N C -0.272 175.254 175.510 0.026 0.000 1.024 253 N CA 0.538 53.603 53.050 0.025 0.000 0.726 253 N CB -1.547 36.956 38.487 0.026 0.000 0.908 253 N HN 0.286 nan 8.380 nan 0.000 0.542 254 c N 0.748 119.362 118.600 0.024 0.000 2.382 254 c HA 0.273 4.843 4.570 -0.000 0.000 0.363 254 c C 1.297 175.402 174.090 0.026 0.000 1.213 254 c CA -0.984 55.361 56.329 0.027 0.000 2.363 254 c CB 1.177 43.700 42.510 0.021 0.000 2.397 254 c HN 0.427 nan 8.230 nan 0.000 0.573 255 N N 2.137 120.857 118.700 0.034 0.000 2.427 255 N HA 0.091 4.830 4.740 -0.000 0.000 0.269 255 N C -0.082 175.441 175.510 0.021 0.000 1.235 255 N CA 0.290 53.358 53.050 0.029 0.000 0.934 255 N CB 0.323 38.833 38.487 0.038 0.000 1.121 255 N HN 0.593 nan 8.380 nan 0.000 0.480 256 L N 3.110 124.341 121.223 0.013 0.000 2.848 256 L HA 0.208 4.548 4.340 -0.000 0.000 0.240 256 L C 1.204 178.077 176.870 0.005 0.000 1.232 256 L CA -0.273 54.571 54.840 0.007 0.000 1.031 256 L CB -0.170 41.892 42.059 0.005 0.000 1.338 256 L HN 0.400 nan 8.230 nan 0.000 0.509 257 N N 0.352 119.056 118.700 0.007 0.000 2.416 257 N HA -0.017 4.723 4.740 -0.000 0.000 0.177 257 N C 0.557 176.067 175.510 0.001 0.000 1.036 257 N CA 0.559 53.611 53.050 0.004 0.000 0.901 257 N CB 0.512 39.001 38.487 0.004 0.000 0.976 257 N HN 0.422 nan 8.380 nan 0.000 0.444 258 S N -1.050 114.652 115.700 0.002 0.000 2.537 258 S HA 0.289 4.759 4.470 -0.000 0.000 0.271 258 S C -0.156 174.444 174.600 0.000 0.000 1.148 258 S CA -0.865 57.335 58.200 -0.001 0.000 0.868 258 S CB 1.860 65.059 63.200 -0.002 0.000 1.115 258 S HN -0.212 nan 8.310 nan 0.000 0.461 259 D N 1.628 122.024 120.400 -0.006 0.000 2.133 259 D HA -0.141 4.498 4.640 -0.000 0.000 0.195 259 D C 1.470 177.772 176.300 0.003 0.000 0.997 259 D CA 2.016 56.009 54.000 -0.012 0.000 0.840 259 D CB -0.242 40.547 40.800 -0.017 0.000 0.947 259 D HN 0.730 nan 8.370 nan 0.000 0.452 260 E N 1.079 121.286 120.200 0.012 0.000 2.033 260 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 260 E C 2.117 178.751 176.600 0.058 0.000 1.011 260 E CA 1.246 57.664 56.400 0.029 0.000 0.815 260 E CB -0.276 29.431 29.700 0.011 0.000 0.755 260 E HN 0.482 nan 8.360 nan 0.000 0.451 261 E N 0.064 120.289 120.200 0.041 0.000 2.072 261 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 261 E C 2.124 178.779 176.600 0.091 0.000 0.985 261 E CA 0.709 57.149 56.400 0.067 0.000 0.801 261 E CB -0.189 29.530 29.700 0.032 0.000 0.750 261 E HN 0.091 nan 8.360 nan 0.000 0.452 262 L N 1.575 122.824 121.223 0.044 0.000 1.990 262 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 262 L C 2.099 178.981 176.870 0.020 0.000 1.072 262 L CA 1.704 56.555 54.840 0.019 0.000 0.755 262 L CB -0.401 41.649 42.059 -0.016 0.000 0.889 262 L HN 0.104 nan 8.230 nan 0.000 0.432 263 I N -0.995 119.589 120.570 0.022 0.000 2.179 263 I HA -0.340 3.830 4.170 -0.000 0.000 0.242 263 I C 2.640 178.835 176.117 0.130 0.000 1.088 263 I CA 1.655 62.980 61.300 0.042 0.000 1.357 263 I CB -0.748 37.284 38.000 0.052 0.000 1.051 263 I HN 0.499 nan 8.210 nan 0.000 0.409 264 H N 0.462 119.566 119.070 0.056 0.000 2.352 264 H HA -0.270 4.286 4.556 -0.000 0.000 0.299 264 H C 2.468 177.833 175.328 0.062 0.000 1.097 264 H CA 2.277 58.361 56.048 0.060 0.000 1.311 264 H CB -0.116 29.668 29.762 0.038 0.000 1.377 264 H HN 0.507 nan 8.280 nan 0.000 0.504 265 c N 0.833 119.485 118.600 0.088 0.000 2.436 265 c HA -0.109 4.461 4.570 -0.000 0.000 0.277 265 c C 3.049 177.144 174.090 0.007 0.000 1.241 265 c CA 0.923 57.275 56.329 0.039 0.000 1.721 265 c CB -1.364 41.187 42.510 0.068 0.000 2.043 265 c HN 0.569 nan 8.230 nan 0.000 0.472 266 L N 0.240 121.492 121.223 0.048 0.000 2.191 266 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 266 L C 2.924 179.889 176.870 0.158 0.000 1.103 266 L CA 1.420 56.322 54.840 0.104 0.000 0.769 266 L CB -0.690 41.427 42.059 0.096 0.000 0.908 266 L HN 0.350 nan 8.230 nan 0.000 0.438 267 R N -0.350 120.216 120.500 0.111 0.000 2.235 267 R HA -0.071 4.269 4.340 -0.000 0.000 0.213 267 R C 1.669 177.927 176.300 -0.071 0.000 1.059 267 R CA 0.530 56.638 56.100 0.012 0.000 0.997 267 R CB 0.064 30.356 30.300 -0.015 0.000 0.884 267 R HN 0.297 nan 8.270 nan 0.000 0.462 268 E N 0.440 120.578 120.200 -0.104 0.000 2.474 268 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 268 E C -0.013 176.571 176.600 -0.026 0.000 1.041 268 E CA 0.425 56.770 56.400 -0.093 0.000 0.874 268 E CB 0.362 29.980 29.700 -0.136 0.000 0.914 268 E HN 0.080 nan 8.360 nan 0.000 0.498 269 K N 1.474 121.877 120.400 0.005 0.000 2.154 269 K HA 0.218 4.538 4.320 -0.000 0.000 0.264 269 K C 0.389 177.019 176.600 0.051 0.000 1.008 269 K CA -0.199 56.108 56.287 0.033 0.000 0.937 269 K CB 1.001 33.531 32.500 0.049 0.000 1.002 269 K HN -0.102 nan 8.250 nan 0.000 0.469 270 K N 2.126 122.560 120.400 0.057 0.000 2.237 270 K HA 0.068 4.388 4.320 -0.000 0.000 0.270 270 K C -1.662 175.013 176.600 0.125 0.000 1.015 270 K CA -1.558 54.769 56.287 0.065 0.000 0.949 270 K CB 0.161 32.691 32.500 0.049 0.000 0.976 270 K HN 0.170 nan 8.250 nan 0.000 0.472 271 P HA -0.278 nan 4.420 nan 0.000 0.216 271 P C 1.229 178.703 177.300 0.291 0.000 1.167 271 P CA 1.353 64.615 63.100 0.271 0.000 0.914 271 P CB 0.209 31.912 31.700 0.004 0.000 0.793 272 Q N -0.020 119.877 119.800 0.161 0.000 2.248 272 Q HA -0.218 4.122 4.340 -0.000 0.000 0.208 272 Q C 1.924 178.017 176.000 0.156 0.000 0.984 272 Q CA 1.722 57.617 55.803 0.153 0.000 0.875 272 Q CB -0.807 27.990 28.738 0.098 0.000 0.910 272 Q HN 0.373 nan 8.270 nan 0.000 0.433 273 E N -0.938 119.342 120.200 0.134 0.000 2.077 273 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 273 E C 1.680 178.348 176.600 0.112 0.000 0.989 273 E CA 1.106 57.571 56.400 0.109 0.000 0.800 273 E CB -0.053 29.698 29.700 0.084 0.000 0.746 273 E HN 0.248 nan 8.360 nan 0.000 0.452 274 L N 0.675 121.967 121.223 0.116 0.000 2.056 274 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 274 L C 2.221 179.150 176.870 0.097 0.000 1.078 274 L CA 1.412 56.280 54.840 0.047 0.000 0.749 274 L CB -0.454 41.543 42.059 -0.103 0.000 0.901 274 L HN 0.158 nan 8.230 nan 0.000 0.433 275 I N -0.572 120.115 120.570 0.196 0.000 2.226 275 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 275 I C 1.845 178.122 176.117 0.266 0.000 1.100 275 I CA 1.081 62.536 61.300 0.259 0.000 1.374 275 I CB -0.442 37.758 38.000 0.333 0.000 1.057 275 I HN 0.253 nan 8.210 nan 0.000 0.413 276 D N 0.445 120.980 120.400 0.226 0.000 2.263 276 D HA -0.107 4.533 4.640 -0.000 0.000 0.208 276 D C 1.905 178.328 176.300 0.205 0.000 0.971 276 D CA 1.362 55.495 54.000 0.223 0.000 0.867 276 D CB 0.133 41.031 40.800 0.162 0.000 0.929 276 D HN 0.395 nan 8.370 nan 0.000 0.492 277 V N -2.697 117.316 119.914 0.164 0.000 3.528 277 V HA 0.167 4.287 4.120 -0.000 0.000 0.294 277 V C 1.880 178.048 176.094 0.122 0.000 1.404 277 V CA -0.084 62.298 62.300 0.137 0.000 1.065 277 V CB 0.376 32.259 31.823 0.099 0.000 0.904 277 V HN -0.079 nan 8.190 nan 0.000 0.435 278 E N 0.971 121.232 120.200 0.102 0.000 2.086 278 E HA -0.296 4.054 4.350 -0.000 0.000 0.205 278 E C 1.636 178.121 176.600 -0.191 0.000 1.027 278 E CA 2.889 59.287 56.400 -0.003 0.000 0.830 278 E CB -0.251 29.357 29.700 -0.152 0.000 0.751 278 E HN 0.812 nan 8.360 nan 0.000 0.456 279 W N 0.835 122.126 121.300 -0.014 0.000 2.525 279 W HA -0.023 4.637 4.660 -0.000 0.000 0.259 279 W C 1.855 178.332 176.519 -0.070 0.000 1.253 279 W CA 0.249 57.541 57.345 -0.088 0.000 1.262 279 W CB -0.141 29.234 29.460 -0.142 0.000 1.122 279 W HN 0.111 nan 8.180 nan 0.000 0.607 280 N N 0.312 119.091 118.700 0.132 0.000 2.512 280 N HA -0.101 4.639 4.740 -0.000 0.000 0.183 280 N C 1.698 177.208 175.510 0.001 0.000 1.073 280 N CA 1.469 54.563 53.050 0.072 0.000 0.911 280 N CB -0.542 37.988 38.487 0.071 0.000 0.964 280 N HN 0.268 nan 8.380 nan 0.000 0.447 281 V N -1.978 117.903 119.914 -0.054 0.000 3.649 281 V HA 0.225 4.344 4.120 -0.000 0.000 0.275 281 V C 0.832 176.813 176.094 -0.188 0.000 1.281 281 V CA -0.058 62.170 62.300 -0.121 0.000 1.143 281 V CB -0.718 31.011 31.823 -0.157 0.000 0.892 281 V HN -0.009 nan 8.190 nan 0.000 0.441 282 L N 1.239 122.366 121.223 -0.159 0.000 2.461 282 L HA 0.214 4.554 4.340 -0.000 0.000 0.272 282 L C -0.641 176.070 176.870 -0.264 0.000 1.197 282 L CA -1.009 53.715 54.840 -0.194 0.000 0.836 282 L CB 0.650 42.662 42.059 -0.079 0.000 1.105 282 L HN 0.122 nan 8.230 nan 0.000 0.477 283 P HA -0.091 nan 4.420 nan 0.000 0.215 283 P C -0.676 176.166 177.300 -0.762 0.000 1.157 283 P CA 1.363 63.970 63.100 -0.822 0.000 0.863 283 P CB 0.239 31.062 31.700 -1.462 0.000 0.787 284 F N -2.896 117.055 119.950 0.002 0.000 2.675 284 F HA 0.454 4.981 4.527 -0.000 0.000 0.324 284 F C -0.144 175.664 175.800 0.013 0.000 1.106 284 F CA -1.678 56.328 58.000 0.010 0.000 0.970 284 F CB -0.060 38.949 39.000 0.015 0.000 1.385 284 F HN -0.473 nan 8.300 nan 0.000 0.489 285 D N 0.937 121.482 120.400 0.241 0.000 2.425 285 D HA 0.482 5.122 4.640 -0.000 0.000 0.247 285 D C -0.442 175.949 176.300 0.152 0.000 1.147 285 D CA 0.741 54.824 54.000 0.138 0.000 0.879 285 D CB 0.807 41.663 40.800 0.093 0.000 1.179 285 D HN 0.798 nan 8.370 nan 0.000 0.456 286 S N 1.127 116.894 115.700 0.112 0.000 2.636 286 S HA 0.647 5.117 4.470 -0.000 0.000 0.266 286 S C -0.958 173.677 174.600 0.057 0.000 1.147 286 S CA -1.102 57.159 58.200 0.100 0.000 0.815 286 S CB 0.474 63.773 63.200 0.164 0.000 1.119 286 S HN 0.463 nan 8.310 nan 0.000 0.470 287 I N -2.791 117.811 120.570 0.052 0.000 2.785 287 I HA 0.831 5.001 4.170 -0.000 0.000 0.302 287 I C -0.398 175.735 176.117 0.026 0.000 1.069 287 I CA -1.032 60.298 61.300 0.050 0.000 1.045 287 I CB 1.460 39.514 38.000 0.090 0.000 1.236 287 I HN 0.823 nan 8.210 nan 0.000 0.429 288 F N 2.421 122.199 119.950 -0.288 0.000 3.071 288 F HA -0.168 4.359 4.527 -0.000 0.000 0.295 288 F C -0.462 174.810 175.800 -0.881 0.000 0.919 288 F CA 0.556 58.113 58.000 -0.738 0.000 1.050 288 F CB -0.613 37.916 39.000 -0.785 0.000 1.040 288 F HN 0.640 nan 8.300 nan 0.000 0.692 289 R N 0.627 120.712 120.500 -0.693 0.000 2.574 289 R HA 0.596 4.935 4.340 -0.000 0.000 0.288 289 R C -1.011 174.908 176.300 -0.634 0.000 1.004 289 R CA -0.522 55.242 56.100 -0.560 0.000 0.895 289 R CB 1.276 31.500 30.300 -0.127 0.000 1.191 289 R HN -0.004 nan 8.270 nan 0.000 0.444 290 F N -0.584 119.462 119.950 0.161 0.000 2.546 290 F HA 0.391 4.918 4.527 -0.000 0.000 0.320 290 F C 1.609 177.302 175.800 -0.177 0.000 1.076 290 F CA -0.848 57.153 58.000 0.002 0.000 0.928 290 F CB 1.677 40.790 39.000 0.189 0.000 1.189 290 F HN 0.338 nan 8.300 nan 0.000 0.465 291 S N 0.644 116.170 115.700 -0.289 0.000 2.343 291 S HA -0.050 4.420 4.470 -0.000 0.000 0.219 291 S C 0.125 174.284 174.600 -0.736 0.000 1.033 291 S CA 1.236 59.068 58.200 -0.614 0.000 1.014 291 S CB -0.255 62.400 63.200 -0.908 0.000 0.915 291 S HN 0.354 nan 8.310 nan 0.000 0.435 292 F N 1.828 121.774 119.950 -0.008 0.000 2.308 292 F HA 0.534 5.061 4.527 -0.000 0.000 0.370 292 F C 0.093 175.897 175.800 0.006 0.000 1.100 292 F CA -0.955 57.079 58.000 0.056 0.000 1.108 292 F CB 0.907 39.979 39.000 0.120 0.000 1.293 292 F HN -0.072 nan 8.300 nan 0.000 0.478 293 V N 0.829 120.709 119.914 -0.057 0.000 3.158 293 V HA 0.765 4.885 4.120 -0.000 0.000 0.311 293 V C -2.849 172.922 176.094 -0.537 0.000 1.181 293 V CA -3.342 58.629 62.300 -0.549 0.000 1.054 293 V CB 1.914 33.611 31.823 -0.209 0.000 1.085 293 V HN 0.241 nan 8.190 nan 0.000 0.446 294 P HA 0.253 nan 4.420 nan 0.000 0.267 294 P C -0.701 176.509 177.300 -0.150 0.000 1.201 294 P CA 0.290 63.185 63.100 -0.342 0.000 0.775 294 P CB 0.386 31.831 31.700 -0.426 0.000 0.854 295 V N 0.031 119.946 119.914 0.002 0.000 2.735 295 V HA 0.443 4.563 4.120 -0.000 0.000 0.310 295 V C -0.188 175.940 176.094 0.057 0.000 1.061 295 V CA -0.886 61.404 62.300 -0.016 0.000 0.913 295 V CB 1.911 33.736 31.823 0.003 0.000 1.005 295 V HN 0.210 nan 8.190 nan 0.000 0.428 296 I N 4.839 125.371 120.570 -0.064 0.000 2.293 296 I HA 0.213 4.382 4.170 -0.000 0.000 0.299 296 I C 0.782 176.900 176.117 0.002 0.000 1.153 296 I CA 0.213 61.497 61.300 -0.027 0.000 1.302 296 I CB -0.028 37.882 38.000 -0.151 0.000 1.460 296 I HN 0.976 nan 8.210 nan 0.000 0.552 297 D N 3.212 123.676 120.400 0.107 0.000 2.367 297 D HA 0.082 4.722 4.640 -0.000 0.000 0.207 297 D C 1.428 177.735 176.300 0.013 0.000 1.034 297 D CA 0.692 54.661 54.000 -0.052 0.000 0.861 297 D CB 0.434 41.257 40.800 0.040 0.000 0.943 297 D HN 0.644 nan 8.370 nan 0.000 0.515 298 G N 0.601 109.470 108.800 0.114 0.000 2.179 298 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.260 298 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.260 298 G C 0.688 175.658 174.900 0.116 0.000 0.977 298 G CA 0.695 45.860 45.100 0.108 0.000 0.641 298 G HN 0.543 nan 8.290 nan 0.000 0.533 299 E N -1.212 119.070 120.200 0.136 0.000 2.357 299 E HA 0.369 4.719 4.350 -0.000 0.000 0.190 299 E C 1.899 178.530 176.600 0.051 0.000 1.022 299 E CA -0.061 56.399 56.400 0.100 0.000 1.068 299 E CB -0.071 29.706 29.700 0.128 0.000 1.465 299 E HN 0.282 nan 8.360 nan 0.000 0.503 300 F N 0.431 120.305 119.950 -0.127 0.000 2.216 300 F HA 0.064 4.591 4.527 -0.000 0.000 0.300 300 F C -0.034 175.457 175.800 -0.516 0.000 1.085 300 F CA 1.017 58.797 58.000 -0.366 0.000 1.326 300 F CB 0.296 38.966 39.000 -0.550 0.000 1.027 300 F HN -0.041 nan 8.300 nan 0.000 0.497 301 F N 0.555 120.639 119.950 0.223 0.000 2.434 301 F HA 0.366 4.893 4.527 -0.000 0.000 0.355 301 F C -1.621 174.218 175.800 0.064 0.000 1.115 301 F CA -2.840 55.238 58.000 0.130 0.000 1.010 301 F CB 0.690 39.764 39.000 0.125 0.000 1.234 301 F HN -0.266 nan 8.300 nan 0.000 0.439 302 P HA -0.146 nan 4.420 nan 0.000 0.216 302 P C 0.531 177.896 177.300 0.108 0.000 1.157 302 P CA 2.029 65.193 63.100 0.107 0.000 0.880 302 P CB 0.182 31.922 31.700 0.067 0.000 0.791 303 T N -6.514 108.112 114.554 0.120 0.000 2.618 303 T HA 0.450 4.800 4.350 -0.000 0.000 0.286 303 T C -0.386 174.350 174.700 0.060 0.000 1.027 303 T CA -0.609 61.536 62.100 0.076 0.000 1.063 303 T CB 0.632 69.531 68.868 0.051 0.000 1.440 303 T HN -0.016 nan 8.240 nan 0.000 0.505 304 S N 0.247 115.958 115.700 0.019 0.000 2.558 304 S HA 0.128 4.598 4.470 -0.000 0.000 0.291 304 S C 1.525 176.118 174.600 -0.012 0.000 1.306 304 S CA -0.640 57.547 58.200 -0.021 0.000 1.056 304 S CB -0.430 62.760 63.200 -0.017 0.000 0.836 304 S HN 0.656 nan 8.310 nan 0.000 0.504 305 L N 0.849 122.025 121.223 -0.079 0.000 2.042 305 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 305 L C 2.916 179.811 176.870 0.040 0.000 1.076 305 L CA 2.007 56.816 54.840 -0.052 0.000 0.749 305 L CB -0.713 41.254 42.059 -0.155 0.000 0.893 305 L HN 0.805 nan 8.230 nan 0.000 0.432 306 E N 0.456 120.678 120.200 0.037 0.000 2.110 306 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 306 E C 2.260 178.921 176.600 0.101 0.000 0.988 306 E CA 1.595 58.051 56.400 0.095 0.000 0.804 306 E CB -0.057 29.689 29.700 0.076 0.000 0.745 306 E HN 0.489 nan 8.360 nan 0.000 0.458 307 S N -0.399 115.344 115.700 0.071 0.000 2.383 307 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 307 S C 2.122 176.773 174.600 0.086 0.000 1.026 307 S CA 1.271 59.512 58.200 0.069 0.000 0.981 307 S CB -0.390 62.838 63.200 0.045 0.000 0.818 307 S HN 0.263 nan 8.310 nan 0.000 0.472 308 M N 1.030 120.694 119.600 0.107 0.000 2.117 308 M HA 0.042 4.522 4.480 -0.000 0.000 0.262 308 M C 2.235 178.683 176.300 0.246 0.000 1.065 308 M CA 1.356 56.745 55.300 0.149 0.000 1.114 308 M CB -0.698 32.018 32.600 0.194 0.000 1.361 308 M HN 0.295 nan 8.290 nan 0.000 0.408 309 L N 0.048 121.421 121.223 0.249 0.000 2.046 309 L HA -0.222 4.117 4.340 -0.000 0.000 0.208 309 L C 2.217 179.269 176.870 0.304 0.000 1.077 309 L CA 0.924 55.942 54.840 0.297 0.000 0.747 309 L CB -0.834 41.312 42.059 0.145 0.000 0.896 309 L HN 0.374 nan 8.230 nan 0.000 0.432 310 N N -0.227 118.593 118.700 0.199 0.000 2.188 310 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 310 N C 2.026 177.647 175.510 0.185 0.000 1.018 310 N CA 1.713 54.881 53.050 0.196 0.000 0.858 310 N CB -0.218 38.349 38.487 0.134 0.000 0.989 310 N HN 0.347 nan 8.380 nan 0.000 0.426 311 S N -0.715 115.015 115.700 0.049 0.000 2.527 311 S HA 0.164 4.634 4.470 -0.000 0.000 0.222 311 S C 1.450 175.732 174.600 -0.530 0.000 0.985 311 S CA 0.720 58.856 58.200 -0.106 0.000 0.921 311 S CB 0.018 63.164 63.200 -0.089 0.000 0.772 311 S HN 0.423 nan 8.310 nan 0.000 0.529 312 G N 1.737 110.108 108.800 -0.715 0.000 2.148 312 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.254 312 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.254 312 G C 0.008 174.054 174.900 -1.422 0.000 0.981 312 G CA 0.097 44.097 45.100 -1.833 0.000 0.670 312 G HN 0.675 nan 8.290 nan 0.000 0.528 313 N N 0.785 119.113 118.700 -0.619 0.000 2.671 313 N HA 0.499 5.238 4.740 -0.000 0.000 0.274 313 N C -0.086 175.377 175.510 -0.078 0.000 1.188 313 N CA 0.139 52.992 53.050 -0.329 0.000 1.065 313 N CB -0.949 37.470 38.487 -0.114 0.000 1.415 313 N HN 0.807 nan 8.380 nan 0.000 0.511 314 F N -1.062 118.842 119.950 -0.076 0.000 2.900 314 F HA 0.376 4.903 4.527 -0.000 0.000 0.321 314 F C -0.516 175.307 175.800 0.039 0.000 1.160 314 F CA -1.465 56.559 58.000 0.040 0.000 0.890 314 F CB 0.575 39.665 39.000 0.150 0.000 1.334 314 F HN -0.093 nan 8.300 nan 0.000 0.459 315 K N 1.598 122.266 120.400 0.447 0.000 2.412 315 K HA 0.238 4.558 4.320 -0.000 0.000 0.284 315 K C -1.062 175.803 176.600 0.440 0.000 1.046 315 K CA -0.206 56.253 56.287 0.287 0.000 0.999 315 K CB 0.458 33.077 32.500 0.198 0.000 0.941 315 K HN 0.622 nan 8.250 nan 0.000 0.474 316 K N 2.897 123.409 120.400 0.187 0.000 2.267 316 K HA 0.179 4.499 4.320 -0.000 0.000 0.282 316 K C -0.215 176.507 176.600 0.203 0.000 1.078 316 K CA -0.180 56.212 56.287 0.176 0.000 0.903 316 K CB 1.771 34.273 32.500 0.004 0.000 1.111 316 K HN 0.643 nan 8.250 nan 0.000 0.475 317 T N 1.411 116.177 114.554 0.353 0.000 2.627 317 T HA 0.299 4.649 4.350 -0.000 0.000 0.294 317 T C -1.442 173.478 174.700 0.367 0.000 1.230 317 T CA -0.683 61.581 62.100 0.275 0.000 1.084 317 T CB 0.615 69.615 68.868 0.220 0.000 1.693 317 T HN 0.395 nan 8.240 nan 0.000 0.465 318 Q N 1.135 121.123 119.800 0.314 0.000 2.245 318 Q HA 0.749 5.089 4.340 -0.000 0.000 0.256 318 Q C -0.503 175.790 176.000 0.489 0.000 0.942 318 Q CA -0.474 55.569 55.803 0.401 0.000 0.896 318 Q CB 1.508 30.473 28.738 0.377 0.000 1.272 318 Q HN 0.664 nan 8.270 nan 0.000 0.442 319 I N -1.123 119.658 120.570 0.352 0.000 2.686 319 I HA 0.684 4.854 4.170 -0.000 0.000 0.295 319 I C -1.509 174.491 176.117 -0.195 0.000 1.114 319 I CA -1.358 60.004 61.300 0.102 0.000 1.038 319 I CB 1.790 39.700 38.000 -0.151 0.000 1.238 319 I HN 0.548 nan 8.210 nan 0.000 0.420 320 L N 7.245 128.137 121.223 -0.552 0.000 2.356 320 L HA 0.804 5.144 4.340 -0.000 0.000 0.277 320 L C -1.192 175.491 176.870 -0.312 0.000 0.996 320 L CA -0.546 53.883 54.840 -0.685 0.000 0.822 320 L CB 1.603 42.743 42.059 -1.531 0.000 1.256 320 L HN 0.851 nan 8.230 nan 0.000 0.413 321 L N 2.458 123.619 121.223 -0.103 0.000 2.600 321 L HA 1.112 5.452 4.340 -0.000 0.000 0.257 321 L C -0.759 175.908 176.870 -0.338 0.000 1.048 321 L CA -0.434 54.363 54.840 -0.072 0.000 0.869 321 L CB 1.887 43.897 42.059 -0.082 0.000 1.482 321 L HN 0.687 nan 8.230 nan 0.000 0.408 322 G N -0.200 108.241 108.800 -0.598 0.000 2.342 322 G HA2 0.566 4.526 3.960 -0.000 0.000 0.297 322 G HA3 0.566 4.526 3.960 -0.000 0.000 0.297 322 G C -1.539 173.082 174.900 -0.464 0.000 1.313 322 G CA 0.022 44.465 45.100 -1.094 0.000 0.830 322 G HN 1.501 nan 8.290 nan 0.000 0.506 323 V N -2.632 117.148 119.914 -0.224 0.000 3.167 323 V HA 0.880 4.999 4.120 -0.000 0.000 0.310 323 V C -1.016 175.153 176.094 0.126 0.000 1.207 323 V CA -1.463 60.881 62.300 0.073 0.000 1.059 323 V CB 1.908 33.800 31.823 0.114 0.000 1.079 323 V HN 0.679 nan 8.190 nan 0.000 0.446 324 N N 0.731 119.514 118.700 0.138 0.000 2.466 324 N HA 0.437 5.177 4.740 -0.000 0.000 0.294 324 N C 0.541 175.992 175.510 -0.098 0.000 1.129 324 N CA -0.448 52.662 53.050 0.100 0.000 0.931 324 N CB 1.811 40.454 38.487 0.259 0.000 1.193 324 N HN 0.947 nan 8.380 nan 0.000 0.500 325 K N 0.250 120.475 120.400 -0.292 0.000 2.103 325 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 325 K C -0.556 176.128 176.600 0.140 0.000 1.048 325 K CA 1.422 57.648 56.287 -0.102 0.000 0.930 325 K CB 0.202 32.685 32.500 -0.029 0.000 0.716 325 K HN 0.513 nan 8.250 nan 0.000 0.444 326 D N 0.985 121.460 120.400 0.124 0.000 2.795 326 D HA 0.026 4.666 4.640 -0.000 0.000 0.335 326 D C 0.092 176.502 176.300 0.185 0.000 1.262 326 D CA -0.101 53.989 54.000 0.151 0.000 0.885 326 D CB 1.187 42.047 40.800 0.100 0.000 1.047 326 D HN 0.176 nan 8.370 nan 0.000 0.500 327 E N 0.509 120.846 120.200 0.228 0.000 2.118 327 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 327 E C 1.951 178.750 176.600 0.332 0.000 0.992 327 E CA 0.774 57.358 56.400 0.306 0.000 0.804 327 E CB 0.052 29.916 29.700 0.273 0.000 0.741 327 E HN 0.419 nan 8.360 nan 0.000 0.458 328 G N 0.992 109.951 108.800 0.265 0.000 2.777 328 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.211 328 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.211 328 G C 1.678 176.732 174.900 0.256 0.000 1.149 328 G CA 0.721 46.003 45.100 0.303 0.000 0.785 328 G HN 0.347 nan 8.290 nan 0.000 0.536 329 S N 0.689 116.478 115.700 0.149 0.000 2.370 329 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 329 S C 2.035 176.590 174.600 -0.076 0.000 1.033 329 S CA 0.916 59.135 58.200 0.032 0.000 1.011 329 S CB -0.579 62.534 63.200 -0.145 0.000 0.852 329 S HN 0.122 nan 8.310 nan 0.000 0.457 330 F N 2.093 121.887 119.950 -0.261 0.000 2.091 330 F HA -0.017 4.510 4.527 -0.000 0.000 0.299 330 F C 1.905 177.411 175.800 -0.490 0.000 1.103 330 F CA 0.918 58.603 58.000 -0.526 0.000 1.228 330 F CB -0.808 37.682 39.000 -0.850 0.000 0.984 330 F HN 0.186 nan 8.300 nan 0.000 0.477 331 F N -0.867 119.082 119.950 -0.002 0.000 2.325 331 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 331 F C 2.204 177.990 175.800 -0.022 0.000 1.090 331 F CA 0.610 58.564 58.000 -0.077 0.000 1.392 331 F CB -0.989 37.878 39.000 -0.223 0.000 1.053 331 F HN -0.104 nan 8.300 nan 0.000 0.521 332 L N -0.660 120.583 121.223 0.033 0.000 2.072 332 L HA -0.171 4.169 4.340 -0.000 0.000 0.205 332 L C 2.466 179.240 176.870 -0.159 0.000 1.079 332 L CA 0.627 55.278 54.840 -0.314 0.000 0.752 332 L CB -0.619 40.873 42.059 -0.946 0.000 0.906 332 L HN 0.172 nan 8.230 nan 0.000 0.436 333 L N -0.944 120.348 121.223 0.115 0.000 2.042 333 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 333 L C 2.328 179.396 176.870 0.330 0.000 1.076 333 L CA 2.014 57.078 54.840 0.373 0.000 0.749 333 L CB -0.598 41.702 42.059 0.401 0.000 0.893 333 L HN 0.115 nan 8.230 nan 0.000 0.432 334 Y N -0.869 119.514 120.300 0.138 0.000 2.337 334 Y HA 0.183 4.733 4.550 -0.000 0.000 0.293 334 Y C 2.301 178.226 175.900 0.042 0.000 1.123 334 Y CA 0.988 59.145 58.100 0.095 0.000 1.201 334 Y CB -0.341 38.137 38.460 0.031 0.000 1.011 334 Y HN 0.261 nan 8.280 nan 0.000 0.545 335 G N -1.696 107.217 108.800 0.187 0.000 3.342 335 G HA2 0.470 4.430 3.960 -0.000 0.000 0.252 335 G HA3 0.470 4.430 3.960 -0.000 0.000 0.252 335 G C -0.110 174.857 174.900 0.111 0.000 1.011 335 G CA 0.396 45.561 45.100 0.109 0.000 0.869 335 G HN 0.278 nan 8.290 nan 0.000 0.514 336 A N 1.441 124.356 122.820 0.160 0.000 2.324 336 A HA 0.825 5.145 4.320 -0.000 0.000 0.330 336 A C -2.582 175.187 177.584 0.309 0.000 1.165 336 A CA -1.583 50.587 52.037 0.223 0.000 0.813 336 A CB 1.449 20.598 19.000 0.249 0.000 1.197 336 A HN 0.056 nan 8.150 nan 0.000 0.484 337 P HA 0.329 nan 4.420 nan 0.000 0.271 337 P C 0.774 178.083 177.300 0.015 0.000 1.216 337 P CA 1.252 64.413 63.100 0.101 0.000 0.771 337 P CB 1.235 32.965 31.700 0.050 0.000 0.864 338 G N 1.783 110.541 108.800 -0.071 0.000 2.213 338 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.226 338 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.226 338 G C -0.247 174.380 174.900 -0.455 0.000 0.992 338 G CA -0.526 44.405 45.100 -0.280 0.000 0.632 338 G HN 0.421 nan 8.290 nan 0.000 0.511 339 F N 1.723 121.622 119.950 -0.086 0.000 2.394 339 F HA 0.745 5.272 4.527 -0.000 0.000 0.340 339 F C 0.721 176.538 175.800 0.029 0.000 1.105 339 F CA 0.067 57.996 58.000 -0.118 0.000 1.124 339 F CB 2.094 41.083 39.000 -0.017 0.000 1.145 339 F HN 0.149 nan 8.300 nan 0.000 0.505 340 S N 1.766 117.609 115.700 0.238 0.000 2.541 340 S HA 0.299 4.769 4.470 -0.000 0.000 0.271 340 S C 0.107 174.972 174.600 0.442 0.000 1.133 340 S CA -0.930 57.432 58.200 0.270 0.000 0.876 340 S CB 1.318 64.588 63.200 0.116 0.000 1.105 340 S HN 0.764 nan 8.310 nan 0.000 0.470 341 K N 1.398 121.987 120.400 0.315 0.000 2.487 341 K HA 0.215 4.534 4.320 -0.000 0.000 0.192 341 K C -0.353 176.313 176.600 0.110 0.000 1.027 341 K CA 0.520 56.941 56.287 0.223 0.000 1.054 341 K CB 0.007 32.438 32.500 -0.116 0.000 0.824 341 K HN 0.425 nan 8.250 nan 0.000 0.510 342 D N 1.408 121.873 120.400 0.107 0.000 2.462 342 D HA 0.054 4.694 4.640 -0.000 0.000 0.221 342 D C -0.260 176.084 176.300 0.074 0.000 1.173 342 D CA 0.133 54.160 54.000 0.045 0.000 0.831 342 D CB 1.003 41.798 40.800 -0.008 0.000 1.001 342 D HN 0.350 nan 8.370 nan 0.000 0.499 343 S N -1.262 114.518 115.700 0.134 0.000 2.671 343 S HA 0.308 4.778 4.470 -0.000 0.000 0.277 343 S C 0.606 175.261 174.600 0.093 0.000 1.165 343 S CA -0.725 57.517 58.200 0.070 0.000 0.822 343 S CB 2.101 65.297 63.200 -0.007 0.000 1.150 343 S HN -0.158 nan 8.310 nan 0.000 0.479 344 E N 0.836 121.040 120.200 0.007 0.000 2.409 344 E HA 0.067 4.417 4.350 -0.000 0.000 0.198 344 E C -0.392 175.996 176.600 -0.353 0.000 1.024 344 E CA 0.623 57.008 56.400 -0.025 0.000 0.861 344 E CB -0.279 29.410 29.700 -0.018 0.000 0.788 344 E HN 0.682 nan 8.360 nan 0.000 0.521 345 S N 1.124 116.582 115.700 -0.403 0.000 3.711 345 S HA -0.162 4.308 4.470 -0.000 0.000 0.374 345 S C -0.338 173.907 174.600 -0.591 0.000 0.969 345 S CA 0.574 58.391 58.200 -0.639 0.000 1.198 345 S CB -1.162 61.317 63.200 -1.202 0.000 0.903 345 S HN 0.274 nan 8.310 nan 0.000 0.493 346 K N 1.026 121.211 120.400 -0.358 0.000 2.339 346 K HA 0.297 4.617 4.320 -0.000 0.000 0.286 346 K C 0.337 176.751 176.600 -0.309 0.000 1.050 346 K CA -0.223 55.900 56.287 -0.272 0.000 0.956 346 K CB 0.425 32.826 32.500 -0.166 0.000 0.990 346 K HN 0.227 nan 8.250 nan 0.000 0.475 347 I N 2.693 123.090 120.570 -0.287 0.000 2.359 347 I HA 0.051 4.221 4.170 -0.000 0.000 0.294 347 I C 0.974 177.017 176.117 -0.123 0.000 0.987 347 I CA -0.347 60.804 61.300 -0.248 0.000 1.225 347 I CB 1.072 38.939 38.000 -0.222 0.000 1.366 347 I HN 0.645 nan 8.210 nan 0.000 0.466 348 S N 5.879 121.521 115.700 -0.095 0.000 2.614 348 S HA 0.280 4.750 4.470 -0.000 0.000 0.265 348 S C 1.163 175.763 174.600 -0.000 0.000 1.303 348 S CA -0.474 57.694 58.200 -0.053 0.000 1.000 348 S CB 1.483 64.657 63.200 -0.043 0.000 0.935 348 S HN 0.657 nan 8.310 nan 0.000 0.551 349 R N 0.711 121.208 120.500 -0.005 0.000 2.127 349 R HA -0.131 4.208 4.340 -0.000 0.000 0.238 349 R C 2.228 178.597 176.300 0.115 0.000 1.134 349 R CA 1.988 58.109 56.100 0.035 0.000 0.975 349 R CB -0.506 29.797 30.300 0.004 0.000 0.865 349 R HN 0.922 nan 8.270 nan 0.000 0.447 350 E N -0.120 120.121 120.200 0.068 0.000 2.051 350 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 350 E C 0.896 177.538 176.600 0.070 0.000 0.991 350 E CA 1.655 58.094 56.400 0.065 0.000 0.799 350 E CB -0.031 29.689 29.700 0.033 0.000 0.748 350 E HN 0.392 nan 8.360 nan 0.000 0.449 351 D N -0.278 120.153 120.400 0.052 0.000 2.224 351 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 351 D C 1.582 177.929 176.300 0.079 0.000 0.965 351 D CA 0.401 54.424 54.000 0.038 0.000 0.852 351 D CB -0.282 40.504 40.800 -0.023 0.000 0.947 351 D HN 0.205 nan 8.370 nan 0.000 0.494 352 F N 1.192 121.133 119.950 -0.015 0.000 2.102 352 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 352 F C 2.287 178.104 175.800 0.028 0.000 1.105 352 F CA 1.248 59.252 58.000 0.007 0.000 1.239 352 F CB -0.183 38.801 39.000 -0.026 0.000 0.991 352 F HN -0.183 nan 8.300 nan 0.000 0.474 353 M N -0.468 119.210 119.600 0.131 0.000 2.080 353 M HA -0.242 4.238 4.480 -0.000 0.000 0.260 353 M C 2.297 178.570 176.300 -0.044 0.000 1.068 353 M CA 2.018 57.346 55.300 0.047 0.000 1.109 353 M CB -0.672 32.000 32.600 0.119 0.000 1.342 353 M HN 0.062 nan 8.290 nan 0.000 0.405 354 S N 0.376 116.069 115.700 -0.012 0.000 2.382 354 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 354 S C 1.992 176.567 174.600 -0.042 0.000 1.027 354 S CA 1.332 59.524 58.200 -0.013 0.000 0.991 354 S CB -0.799 62.410 63.200 0.015 0.000 0.823 354 S HN 0.700 nan 8.310 nan 0.000 0.469 355 G N 1.736 110.493 108.800 -0.073 0.000 2.421 355 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 355 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 355 G C 1.664 176.460 174.900 -0.173 0.000 1.171 355 G CA 1.214 46.262 45.100 -0.086 0.000 0.775 355 G HN 0.553 nan 8.290 nan 0.000 0.543 356 V N -0.428 119.303 119.914 -0.305 0.000 2.427 356 V HA -0.006 4.114 4.120 -0.000 0.000 0.248 356 V C 2.404 178.412 176.094 -0.143 0.000 1.051 356 V CA 2.585 64.731 62.300 -0.257 0.000 1.048 356 V CB -0.544 31.107 31.823 -0.288 0.000 0.666 356 V HN 0.363 nan 8.190 nan 0.000 0.456 357 K N -0.583 119.749 120.400 -0.113 0.000 2.026 357 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 357 K C 2.145 178.698 176.600 -0.080 0.000 1.048 357 K CA 1.749 57.979 56.287 -0.095 0.000 0.929 357 K CB -0.234 32.226 32.500 -0.067 0.000 0.713 357 K HN 0.425 nan 8.250 nan 0.000 0.439 358 L N 1.165 122.360 121.223 -0.047 0.000 2.012 358 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 358 L C 2.305 179.172 176.870 -0.006 0.000 1.073 358 L CA 1.649 56.484 54.840 -0.008 0.000 0.748 358 L CB -1.000 41.068 42.059 0.014 0.000 0.891 358 L HN 0.135 nan 8.230 nan 0.000 0.431 359 S N -1.324 114.354 115.700 -0.036 0.000 2.402 359 S HA -0.034 4.436 4.470 -0.000 0.000 0.229 359 S C 1.045 175.611 174.600 -0.056 0.000 1.021 359 S CA 0.682 58.861 58.200 -0.035 0.000 0.974 359 S CB 0.044 63.200 63.200 -0.074 0.000 0.800 359 S HN 0.203 nan 8.310 nan 0.000 0.484 360 V N 3.048 122.893 119.914 -0.115 0.000 2.446 360 V HA 0.196 4.316 4.120 -0.000 0.000 0.257 360 V C -1.664 174.290 176.094 -0.233 0.000 1.036 360 V CA -1.352 60.819 62.300 -0.215 0.000 1.196 360 V CB 0.702 32.358 31.823 -0.278 0.000 1.446 360 V HN 0.205 nan 8.190 nan 0.000 0.558 361 P HA -0.210 nan 4.420 nan 0.000 0.218 361 P C 1.158 178.066 177.300 -0.655 0.000 1.146 361 P CA 1.707 64.637 63.100 -0.284 0.000 0.813 361 P CB 0.075 31.789 31.700 0.023 0.000 0.778 362 H N -0.773 118.052 119.070 -0.408 0.000 2.551 362 H HA 0.409 4.965 4.556 -0.000 0.000 0.266 362 H C 0.714 175.902 175.328 -0.232 0.000 0.964 362 H CA -0.055 55.791 56.048 -0.335 0.000 1.180 362 H CB -0.911 28.819 29.762 -0.053 0.000 1.408 362 H HN -0.004 nan 8.280 nan 0.000 0.563 363 A N 2.454 124.928 122.820 -0.577 0.000 2.388 363 A HA 0.230 4.550 4.320 -0.000 0.000 0.257 363 A C 0.333 177.773 177.584 -0.240 0.000 1.095 363 A CA -0.305 51.497 52.037 -0.392 0.000 0.791 363 A CB 0.103 18.870 19.000 -0.388 0.000 1.029 363 A HN 0.691 nan 8.150 nan 0.000 0.489 364 N N 1.022 119.623 118.700 -0.164 0.000 2.364 364 N HA 0.155 4.895 4.740 -0.000 0.000 0.264 364 N C 0.344 175.801 175.510 -0.088 0.000 1.263 364 N CA -0.029 52.954 53.050 -0.111 0.000 0.959 364 N CB 0.150 38.590 38.487 -0.078 0.000 1.204 364 N HN 0.575 nan 8.380 nan 0.000 0.550 365 D N -1.105 119.261 120.400 -0.058 0.000 2.133 365 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 365 D C 1.551 177.841 176.300 -0.017 0.000 0.997 365 D CA 0.978 54.958 54.000 -0.033 0.000 0.840 365 D CB -0.108 40.681 40.800 -0.019 0.000 0.947 365 D HN 0.479 nan 8.370 nan 0.000 0.452 366 L N -0.188 121.022 121.223 -0.022 0.000 2.093 366 L HA 0.087 4.427 4.340 -0.000 0.000 0.208 366 L C 2.195 179.064 176.870 -0.001 0.000 1.085 366 L CA 2.110 56.948 54.840 -0.004 0.000 0.755 366 L CB -0.932 41.117 42.059 -0.016 0.000 0.904 366 L HN 0.135 nan 8.230 nan 0.000 0.435 367 G N -0.562 108.210 108.800 -0.047 0.000 2.402 367 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 367 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 367 G C 1.592 176.484 174.900 -0.013 0.000 1.162 367 G CA 0.968 46.028 45.100 -0.066 0.000 0.777 367 G HN 0.420 nan 8.290 nan 0.000 0.539 368 L N 0.545 121.752 121.223 -0.027 0.000 2.046 368 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 368 L C 2.470 179.383 176.870 0.072 0.000 1.077 368 L CA 1.244 56.085 54.840 0.001 0.000 0.747 368 L CB -0.377 41.669 42.059 -0.021 0.000 0.896 368 L HN 0.115 nan 8.230 nan 0.000 0.432 369 D N 0.110 120.558 120.400 0.080 0.000 2.178 369 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 369 D C 2.216 178.610 176.300 0.157 0.000 0.974 369 D CA 1.402 55.474 54.000 0.120 0.000 0.841 369 D CB 0.034 40.888 40.800 0.089 0.000 0.953 369 D HN 0.317 nan 8.370 nan 0.000 0.478 370 A N 0.649 123.576 122.820 0.178 0.000 1.898 370 A HA -0.108 4.211 4.320 -0.000 0.000 0.216 370 A C 2.530 180.253 177.584 0.231 0.000 1.181 370 A CA 1.038 53.240 52.037 0.275 0.000 0.620 370 A CB -0.678 18.585 19.000 0.439 0.000 0.819 370 A HN 0.129 nan 8.150 nan 0.000 0.442 371 V N -0.219 119.853 119.914 0.264 0.000 2.295 371 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 371 V C 2.757 178.978 176.094 0.212 0.000 1.049 371 V CA 2.509 64.938 62.300 0.214 0.000 1.024 371 V CB -1.365 30.572 31.823 0.190 0.000 0.648 371 V HN 0.597 nan 8.190 nan 0.000 0.447 372 T N 0.706 115.397 114.554 0.227 0.000 2.652 372 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 372 T C 1.905 176.778 174.700 0.288 0.000 1.039 372 T CA 2.053 64.354 62.100 0.335 0.000 1.153 372 T CB -0.425 68.645 68.868 0.337 0.000 0.863 372 T HN 0.305 nan 8.240 nan 0.000 0.428 373 L N 1.154 122.523 121.223 0.243 0.000 2.083 373 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 373 L C 2.400 179.293 176.870 0.038 0.000 1.083 373 L CA 1.772 56.758 54.840 0.243 0.000 0.752 373 L CB -0.818 41.350 42.059 0.182 0.000 0.899 373 L HN 0.126 nan 8.230 nan 0.000 0.433 374 Q N -1.446 118.278 119.800 -0.126 0.000 2.224 374 Q HA -0.149 4.191 4.340 -0.000 0.000 0.203 374 Q C 0.795 176.533 176.000 -0.437 0.000 0.970 374 Q CA 1.654 57.197 55.803 -0.435 0.000 0.865 374 Q CB -0.116 28.003 28.738 -1.031 0.000 0.922 374 Q HN 0.696 nan 8.270 nan 0.000 0.445 375 Y N -1.274 118.972 120.300 -0.089 0.000 2.660 375 Y HA 0.354 4.904 4.550 -0.000 0.000 0.254 375 Y C -0.389 175.454 175.900 -0.095 0.000 1.176 375 Y CA -0.356 57.745 58.100 0.002 0.000 1.195 375 Y CB 1.158 39.730 38.460 0.186 0.000 1.190 375 Y HN -0.195 nan 8.280 nan 0.000 0.535 376 T N 0.327 114.795 114.554 -0.143 0.000 2.807 376 T HA 0.152 4.501 4.350 -0.000 0.000 0.279 376 T C -1.144 173.240 174.700 -0.528 0.000 0.993 376 T CA -0.696 61.093 62.100 -0.517 0.000 0.970 376 T CB 1.367 69.693 68.868 -0.903 0.000 0.950 376 T HN 0.005 nan 8.240 nan 0.000 0.441 377 D N 1.672 121.783 120.400 -0.482 0.000 2.428 377 D HA 0.168 4.808 4.640 -0.000 0.000 0.221 377 D C 0.099 176.190 176.300 -0.349 0.000 1.123 377 D CA -0.765 53.059 54.000 -0.293 0.000 0.869 377 D CB 0.345 41.034 40.800 -0.185 0.000 1.032 377 D HN 0.593 nan 8.370 nan 0.000 0.506 378 W N 2.979 124.235 121.300 -0.073 0.000 2.721 378 W HA 0.023 4.683 4.660 -0.000 0.000 0.245 378 W C 1.843 178.330 176.519 -0.053 0.000 1.276 378 W CA -0.024 57.283 57.345 -0.064 0.000 1.342 378 W CB -0.055 29.373 29.460 -0.053 0.000 1.135 378 W HN 0.420 nan 8.180 nan 0.000 0.654 379 M N -0.726 118.937 119.600 0.104 0.000 2.595 379 M HA 0.004 4.484 4.480 -0.000 0.000 0.248 379 M C -0.046 176.263 176.300 0.015 0.000 1.119 379 M CA 1.171 56.509 55.300 0.062 0.000 1.079 379 M CB 0.162 32.780 32.600 0.029 0.000 1.472 379 M HN -0.227 nan 8.290 nan 0.000 0.501 380 D N 0.048 120.426 120.400 -0.037 0.000 3.449 380 D HA 0.001 4.641 4.640 -0.000 0.000 0.262 380 D C 0.075 176.279 176.300 -0.160 0.000 1.343 380 D CA 0.022 53.978 54.000 -0.073 0.000 0.787 380 D CB 0.317 41.075 40.800 -0.070 0.000 1.412 380 D HN 0.207 nan 8.370 nan 0.000 0.652 381 D N -0.741 119.553 120.400 -0.177 0.000 2.363 381 D HA -0.070 4.570 4.640 -0.000 0.000 0.220 381 D C 0.477 176.635 176.300 -0.237 0.000 0.994 381 D CA 0.108 53.909 54.000 -0.332 0.000 0.890 381 D CB 0.277 40.845 40.800 -0.387 0.000 0.906 381 D HN 0.156 nan 8.370 nan 0.000 0.530 382 N N 0.699 119.318 118.700 -0.135 0.000 2.230 382 N HA -0.047 4.692 4.740 -0.000 0.000 0.202 382 N C 0.077 175.524 175.510 -0.105 0.000 1.119 382 N CA -0.172 52.816 53.050 -0.103 0.000 0.851 382 N CB 0.090 38.544 38.487 -0.054 0.000 0.990 382 N HN 0.141 nan 8.380 nan 0.000 0.497 383 N N 1.402 120.029 118.700 -0.122 0.000 2.400 383 N HA 0.015 4.755 4.740 -0.000 0.000 0.267 383 N C 1.304 176.745 175.510 -0.114 0.000 1.208 383 N CA 0.041 53.030 53.050 -0.102 0.000 0.951 383 N CB 0.614 39.043 38.487 -0.096 0.000 1.227 383 N HN 0.153 nan 8.380 nan 0.000 0.488 384 G N 4.155 112.894 108.800 -0.100 0.000 2.475 384 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 384 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 384 G C 1.551 176.389 174.900 -0.103 0.000 1.125 384 G CA 0.565 45.598 45.100 -0.112 0.000 0.755 384 G HN 0.683 nan 8.290 nan 0.000 0.565 385 I N 0.008 120.533 120.570 -0.074 0.000 2.202 385 I HA -0.116 4.054 4.170 -0.000 0.000 0.242 385 I C 2.810 178.917 176.117 -0.016 0.000 1.091 385 I CA 1.181 62.458 61.300 -0.039 0.000 1.368 385 I CB -0.195 37.796 38.000 -0.015 0.000 1.058 385 I HN 0.115 nan 8.210 nan 0.000 0.410 386 K N 0.630 121.004 120.400 -0.044 0.000 2.097 386 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 386 K C 1.835 178.400 176.600 -0.057 0.000 1.049 386 K CA 1.273 57.530 56.287 -0.049 0.000 0.933 386 K CB -0.190 32.248 32.500 -0.103 0.000 0.717 386 K HN 0.322 nan 8.250 nan 0.000 0.442 387 N N 0.719 119.354 118.700 -0.109 0.000 2.216 387 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 387 N C 1.725 177.343 175.510 0.180 0.000 1.017 387 N CA 0.845 53.842 53.050 -0.088 0.000 0.861 387 N CB -0.142 38.264 38.487 -0.134 0.000 0.986 387 N HN 0.219 nan 8.380 nan 0.000 0.428 388 R N 1.192 121.742 120.500 0.083 0.000 2.070 388 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 388 R C 0.913 177.379 176.300 0.276 0.000 1.138 388 R CA 1.572 57.758 56.100 0.142 0.000 0.936 388 R CB -0.053 30.233 30.300 -0.024 0.000 0.839 388 R HN 0.104 nan 8.270 nan 0.000 0.429 389 D N -0.619 119.906 120.400 0.208 0.000 2.178 389 D HA -0.096 4.543 4.640 -0.000 0.000 0.201 389 D C 1.716 178.171 176.300 0.258 0.000 0.980 389 D CA 1.412 55.551 54.000 0.232 0.000 0.842 389 D CB -0.389 40.517 40.800 0.177 0.000 0.948 389 D HN 0.535 nan 8.370 nan 0.000 0.472 390 G N 0.955 109.918 108.800 0.271 0.000 2.418 390 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 390 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 390 G C 1.593 176.707 174.900 0.356 0.000 1.158 390 G CA 0.214 45.538 45.100 0.372 0.000 0.771 390 G HN 0.183 nan 8.290 nan 0.000 0.545 391 L N 0.964 122.421 121.223 0.389 0.000 2.093 391 L HA 0.041 4.381 4.340 -0.000 0.000 0.208 391 L C 2.254 179.194 176.870 0.117 0.000 1.085 391 L CA 2.101 57.043 54.840 0.171 0.000 0.755 391 L CB -0.604 41.597 42.059 0.237 0.000 0.904 391 L HN 0.268 nan 8.230 nan 0.000 0.435 392 D N -0.904 119.619 120.400 0.206 0.000 2.097 392 D HA -0.217 4.423 4.640 -0.000 0.000 0.195 392 D C 1.722 178.112 176.300 0.150 0.000 0.989 392 D CA 1.453 55.564 54.000 0.184 0.000 0.827 392 D CB 0.042 41.002 40.800 0.268 0.000 0.966 392 D HN 0.315 nan 8.370 nan 0.000 0.456 393 D N -0.294 120.217 120.400 0.185 0.000 2.144 393 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 393 D C 2.311 178.655 176.300 0.074 0.000 0.984 393 D CA 0.526 54.655 54.000 0.216 0.000 0.834 393 D CB -0.191 40.846 40.800 0.395 0.000 0.955 393 D HN 0.374 nan 8.370 nan 0.000 0.465 394 I N 0.529 120.991 120.570 -0.180 0.000 2.127 394 I HA -0.259 3.911 4.170 -0.000 0.000 0.241 394 I C 2.490 178.494 176.117 -0.188 0.000 1.075 394 I CA 0.730 61.824 61.300 -0.343 0.000 1.334 394 I CB -0.185 37.588 38.000 -0.378 0.000 1.040 394 I HN -0.111 nan 8.210 nan 0.000 0.405 395 V N 0.891 120.745 119.914 -0.100 0.000 2.295 395 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 395 V C 2.545 178.572 176.094 -0.111 0.000 1.049 395 V CA 2.277 64.533 62.300 -0.074 0.000 1.024 395 V CB -1.433 30.412 31.823 0.037 0.000 0.648 395 V HN 0.594 nan 8.190 nan 0.000 0.447 396 G N -0.592 108.200 108.800 -0.013 0.000 2.402 396 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 396 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 396 G C 1.236 176.091 174.900 -0.075 0.000 1.162 396 G CA 0.967 46.075 45.100 0.012 0.000 0.777 396 G HN 0.500 nan 8.290 nan 0.000 0.539 397 D N -0.294 120.052 120.400 -0.090 0.000 2.097 397 D HA -0.071 4.569 4.640 -0.000 0.000 0.197 397 D C 2.088 178.050 176.300 -0.563 0.000 0.984 397 D CA 1.213 55.116 54.000 -0.160 0.000 0.826 397 D CB -0.454 40.413 40.800 0.112 0.000 0.973 397 D HN 0.407 nan 8.370 nan 0.000 0.460 398 H N 0.914 119.337 119.070 -1.079 0.000 2.321 398 H HA 0.024 4.579 4.556 -0.000 0.000 0.300 398 H C 1.522 176.467 175.328 -0.639 0.000 1.087 398 H CA 1.749 57.033 56.048 -1.272 0.000 1.319 398 H CB 0.036 28.962 29.762 -1.393 0.000 1.379 398 H HN 0.003 nan 8.280 nan 0.000 0.501 399 N N -0.732 117.544 118.700 -0.706 0.000 2.395 399 N HA -0.019 4.721 4.740 -0.000 0.000 0.175 399 N C 1.193 176.473 175.510 -0.383 0.000 1.029 399 N CA 1.150 53.749 53.050 -0.752 0.000 0.897 399 N CB 0.974 38.565 38.487 -1.495 0.000 0.991 399 N HN 0.277 nan 8.380 nan 0.000 0.441 400 V N 0.430 120.188 119.914 -0.261 0.000 3.278 400 V HA 0.149 4.269 4.120 -0.000 0.000 0.215 400 V C 2.072 178.149 176.094 -0.029 0.000 1.287 400 V CA -0.102 62.167 62.300 -0.051 0.000 1.302 400 V CB 0.089 31.952 31.823 0.067 0.000 1.228 400 V HN -0.063 nan 8.190 nan 0.000 0.523 401 I N 0.612 121.178 120.570 -0.007 0.000 2.127 401 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 401 I C 2.517 178.648 176.117 0.023 0.000 1.075 401 I CA 2.008 63.330 61.300 0.037 0.000 1.334 401 I CB -0.409 37.648 38.000 0.095 0.000 1.040 401 I HN 0.403 nan 8.210 nan 0.000 0.405 402 c N 0.412 119.011 118.600 -0.002 0.000 2.457 402 c HA -0.003 4.567 4.570 -0.000 0.000 0.278 402 c C 0.213 174.334 174.090 0.051 0.000 1.309 402 c CA 0.521 56.887 56.329 0.062 0.000 1.735 402 c CB -1.657 40.929 42.510 0.127 0.000 1.992 402 c HN 0.343 nan 8.230 nan 0.000 0.493 403 P HA -0.088 nan 4.420 nan 0.000 0.217 403 P C 1.722 179.057 177.300 0.058 0.000 1.150 403 P CA 1.056 64.136 63.100 -0.034 0.000 0.832 403 P CB -0.148 31.443 31.700 -0.182 0.000 0.787 404 L N -1.852 119.383 121.223 0.021 0.000 2.093 404 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 404 L C 2.058 178.980 176.870 0.087 0.000 1.085 404 L CA 1.605 56.474 54.840 0.048 0.000 0.755 404 L CB -0.503 41.555 42.059 -0.002 0.000 0.904 404 L HN -0.103 nan 8.230 nan 0.000 0.435 405 M N -1.180 118.458 119.600 0.065 0.000 2.229 405 M HA -0.192 4.288 4.480 -0.000 0.000 0.264 405 M C 2.252 178.611 176.300 0.098 0.000 1.063 405 M CA 1.515 56.842 55.300 0.045 0.000 1.114 405 M CB -1.537 31.106 32.600 0.072 0.000 1.387 405 M HN 0.404 nan 8.290 nan 0.000 0.420 406 H N -0.027 119.083 119.070 0.067 0.000 2.353 406 H HA -0.187 4.369 4.556 -0.000 0.000 0.300 406 H C 1.830 177.208 175.328 0.084 0.000 1.090 406 H CA 2.074 58.169 56.048 0.078 0.000 1.327 406 H CB -0.387 29.418 29.762 0.072 0.000 1.383 406 H HN 0.249 nan 8.280 nan 0.000 0.508 407 F N -0.043 119.852 119.950 -0.092 0.000 2.102 407 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 407 F C 2.528 178.247 175.800 -0.135 0.000 1.105 407 F CA 1.454 59.364 58.000 -0.151 0.000 1.239 407 F CB -0.943 37.983 39.000 -0.123 0.000 0.991 407 F HN 0.122 nan 8.300 nan 0.000 0.474 408 V N 1.132 120.935 119.914 -0.185 0.000 2.407 408 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 408 V C 2.181 178.115 176.094 -0.267 0.000 1.055 408 V CA 2.500 64.590 62.300 -0.351 0.000 1.049 408 V CB -0.637 30.912 31.823 -0.456 0.000 0.662 408 V HN 0.446 nan 8.190 nan 0.000 0.455 409 N N -0.310 118.311 118.700 -0.131 0.000 2.216 409 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 409 N C 1.804 177.284 175.510 -0.050 0.000 1.017 409 N CA 1.039 54.107 53.050 0.030 0.000 0.861 409 N CB -0.132 38.403 38.487 0.080 0.000 0.986 409 N HN 0.431 nan 8.380 nan 0.000 0.428 410 K N 0.563 120.855 120.400 -0.180 0.000 2.031 410 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 410 K C 1.948 178.511 176.600 -0.061 0.000 1.049 410 K CA 0.614 56.824 56.287 -0.130 0.000 0.939 410 K CB -0.844 31.527 32.500 -0.216 0.000 0.717 410 K HN 0.248 nan 8.250 nan 0.000 0.438 411 Y N 2.544 122.588 120.300 -0.426 0.000 2.165 411 Y HA -0.236 4.314 4.550 -0.000 0.000 0.286 411 Y C 2.142 178.027 175.900 -0.025 0.000 1.155 411 Y CA 1.981 59.831 58.100 -0.416 0.000 1.164 411 Y CB -0.455 37.438 38.460 -0.945 0.000 0.978 411 Y HN 0.036 nan 8.280 nan 0.000 0.513 412 T N 0.913 115.474 114.554 0.013 0.000 2.929 412 T HA -0.146 4.204 4.350 -0.000 0.000 0.271 412 T C 1.688 176.359 174.700 -0.048 0.000 1.085 412 T CA 1.174 63.308 62.100 0.058 0.000 1.125 412 T CB -0.120 68.878 68.868 0.217 0.000 0.874 412 T HN 0.232 nan 8.240 nan 0.000 0.494 413 K N 0.318 120.647 120.400 -0.119 0.000 2.211 413 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 413 K C 1.097 177.341 176.600 -0.594 0.000 1.050 413 K CA 1.058 57.129 56.287 -0.361 0.000 0.945 413 K CB -0.156 32.055 32.500 -0.482 0.000 0.732 413 K HN 0.458 nan 8.250 nan 0.000 0.451 414 F N -0.493 119.396 119.950 -0.102 0.000 2.778 414 F HA 0.244 4.770 4.527 -0.000 0.000 0.314 414 F C 1.518 177.191 175.800 -0.211 0.000 1.073 414 F CA -0.430 57.471 58.000 -0.165 0.000 1.218 414 F CB -0.270 38.574 39.000 -0.260 0.000 1.037 414 F HN -0.133 nan 8.300 nan 0.000 0.594 415 G N 0.177 108.873 108.800 -0.173 0.000 2.716 415 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.251 415 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.251 415 G C 0.415 175.340 174.900 0.042 0.000 1.224 415 G CA -0.249 44.747 45.100 -0.173 0.000 0.891 415 G HN 0.311 nan 8.290 nan 0.000 0.561 416 N N -0.149 118.636 118.700 0.141 0.000 2.328 416 N HA 0.297 5.037 4.740 -0.000 0.000 0.247 416 N C 0.264 175.857 175.510 0.139 0.000 1.165 416 N CA 0.464 53.582 53.050 0.114 0.000 0.873 416 N CB 0.200 38.752 38.487 0.107 0.000 1.125 416 N HN 0.929 nan 8.380 nan 0.000 0.513 417 G N 0.588 109.480 108.800 0.154 0.000 2.380 417 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.250 417 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.250 417 G C -1.240 173.728 174.900 0.114 0.000 1.578 417 G CA -0.787 44.376 45.100 0.104 0.000 0.974 417 G HN 0.034 nan 8.290 nan 0.000 0.680 418 T N 1.793 116.298 114.554 -0.083 0.000 2.848 418 T HA 0.675 5.024 4.350 -0.000 0.000 0.285 418 T C -1.197 173.303 174.700 -0.333 0.000 0.995 418 T CA -0.313 61.751 62.100 -0.060 0.000 0.970 418 T CB 1.231 70.145 68.868 0.076 0.000 0.976 418 T HN 0.426 nan 8.240 nan 0.000 0.441 419 Y N 2.219 122.460 120.300 -0.099 0.000 2.338 419 Y HA 0.651 5.200 4.550 -0.000 0.000 0.333 419 Y C -0.484 175.502 175.900 0.143 0.000 0.968 419 Y CA -1.127 56.886 58.100 -0.144 0.000 1.123 419 Y CB 1.505 39.425 38.460 -0.899 0.000 1.165 419 Y HN 0.429 nan 8.280 nan 0.000 0.452 420 L N 5.956 127.567 121.223 0.645 0.000 2.329 420 L HA 0.632 4.972 4.340 -0.000 0.000 0.279 420 L C -1.268 176.038 176.870 0.727 0.000 1.014 420 L CA -1.014 54.124 54.840 0.497 0.000 0.814 420 L CB 0.782 42.978 42.059 0.229 0.000 1.257 420 L HN 0.528 nan 8.230 nan 0.000 0.424 421 Y N 3.157 123.758 120.300 0.502 0.000 2.570 421 Y HA 0.729 5.279 4.550 -0.000 0.000 0.345 421 Y C -1.792 174.358 175.900 0.417 0.000 1.014 421 Y CA -2.057 56.255 58.100 0.353 0.000 1.063 421 Y CB 1.305 39.893 38.460 0.212 0.000 1.272 421 Y HN 0.517 nan 8.280 nan 0.000 0.477 422 F N 4.206 124.462 119.950 0.511 0.000 2.513 422 F HA 0.447 4.974 4.527 -0.000 0.000 0.358 422 F C -1.774 174.308 175.800 0.470 0.000 1.118 422 F CA -1.894 56.338 58.000 0.386 0.000 1.037 422 F CB 0.605 39.805 39.000 0.334 0.000 1.276 422 F HN 0.560 nan 8.300 nan 0.000 0.446 423 F N 7.756 127.744 119.950 0.063 0.000 2.444 423 F HA 0.289 4.816 4.527 -0.000 0.000 0.360 423 F C 0.247 175.889 175.800 -0.263 0.000 1.106 423 F CA -0.215 57.779 58.000 -0.009 0.000 1.170 423 F CB 0.478 39.547 39.000 0.115 0.000 1.113 423 F HN 0.532 nan 8.300 nan 0.000 0.521 424 N N 3.587 121.920 118.700 -0.612 0.000 2.588 424 N HA 0.080 4.820 4.740 -0.000 0.000 0.298 424 N C -1.333 173.937 175.510 -0.401 0.000 1.718 424 N CA -0.525 52.273 53.050 -0.420 0.000 0.888 424 N CB -0.615 37.798 38.487 -0.123 0.000 1.389 424 N HN 0.634 nan 8.380 nan 0.000 0.491 425 H N 0.406 118.937 119.070 -0.898 0.000 2.504 425 H HA 0.529 5.085 4.556 -0.000 0.000 0.322 425 H C -0.445 174.717 175.328 -0.277 0.000 1.055 425 H CA -0.639 55.062 56.048 -0.578 0.000 1.231 425 H CB 1.054 30.373 29.762 -0.738 0.000 1.417 425 H HN 0.149 nan 8.280 nan 0.000 0.472 426 R N 4.149 124.262 120.500 -0.645 0.000 2.216 426 R HA 0.511 4.851 4.340 -0.000 0.000 0.332 426 R C -0.715 175.282 176.300 -0.504 0.000 1.056 426 R CA -0.221 55.651 56.100 -0.379 0.000 0.901 426 R CB 0.212 30.381 30.300 -0.218 0.000 1.039 426 R HN 0.747 nan 8.270 nan 0.000 0.456 427 A N 3.458 126.237 122.820 -0.069 0.000 2.511 427 A HA 0.113 4.433 4.320 -0.000 0.000 0.242 427 A C 1.234 178.869 177.584 0.086 0.000 1.069 427 A CA 0.404 52.571 52.037 0.217 0.000 0.763 427 A CB 0.144 19.441 19.000 0.495 0.000 1.001 427 A HN 1.073 nan 8.150 nan 0.000 0.498 428 S N 1.673 117.460 115.700 0.145 0.000 2.399 428 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 428 S C 0.954 175.542 174.600 -0.020 0.000 1.022 428 S CA 1.291 59.525 58.200 0.056 0.000 0.983 428 S CB -0.506 62.752 63.200 0.097 0.000 0.803 428 S HN 0.941 nan 8.310 nan 0.000 0.480 429 N N 0.854 119.506 118.700 -0.080 0.000 2.295 429 N HA 0.254 4.994 4.740 -0.000 0.000 0.221 429 N C -0.360 175.082 175.510 -0.114 0.000 1.129 429 N CA -0.452 52.502 53.050 -0.161 0.000 0.836 429 N CB -0.485 37.791 38.487 -0.352 0.000 1.040 429 N HN 0.349 nan 8.380 nan 0.000 0.494 430 L N 1.425 122.622 121.223 -0.043 0.000 2.410 430 L HA 0.074 4.414 4.340 -0.000 0.000 0.273 430 L C 1.190 178.013 176.870 -0.078 0.000 1.152 430 L CA -0.059 54.765 54.840 -0.027 0.000 0.855 430 L CB 1.055 43.103 42.059 -0.018 0.000 1.129 430 L HN 0.219 nan 8.230 nan 0.000 0.463 431 V N 1.350 121.172 119.914 -0.153 0.000 3.623 431 V HA 0.119 4.239 4.120 -0.000 0.000 0.271 431 V C 0.473 176.448 176.094 -0.197 0.000 1.248 431 V CA -0.352 61.816 62.300 -0.221 0.000 1.156 431 V CB -1.403 30.171 31.823 -0.415 0.000 0.870 431 V HN 0.650 nan 8.190 nan 0.000 0.453 432 W N 1.563 122.802 121.300 -0.102 0.000 2.283 432 W HA 0.566 5.226 4.660 -0.000 0.000 0.341 432 W C -1.844 174.527 176.519 -0.247 0.000 1.206 432 W CA -2.358 54.876 57.345 -0.186 0.000 1.294 432 W CB 0.107 29.331 29.460 -0.393 0.000 1.154 432 W HN -0.062 nan 8.180 nan 0.000 0.613 433 P HA -0.042 nan 4.420 nan 0.000 0.269 433 P C 0.260 177.432 177.300 -0.213 0.000 1.209 433 P CA 0.369 63.399 63.100 -0.118 0.000 0.776 433 P CB 1.019 32.668 31.700 -0.085 0.000 0.876 434 E N 1.626 121.788 120.200 -0.063 0.000 2.160 434 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 434 E C 1.796 178.398 176.600 0.004 0.000 0.991 434 E CA 1.326 57.708 56.400 -0.030 0.000 0.810 434 E CB -0.245 29.478 29.700 0.038 0.000 0.742 434 E HN 0.701 nan 8.360 nan 0.000 0.466 435 W N 0.075 121.401 121.300 0.042 0.000 2.387 435 W HA -0.134 4.526 4.660 -0.000 0.000 0.272 435 W C 1.380 177.933 176.519 0.057 0.000 1.224 435 W CA 0.442 57.824 57.345 0.061 0.000 1.210 435 W CB -0.702 28.811 29.460 0.087 0.000 1.125 435 W HN 0.002 nan 8.180 nan 0.000 0.572 436 M N 1.256 120.488 119.600 -0.613 0.000 2.492 436 M HA 0.120 4.599 4.480 -0.000 0.000 0.262 436 M C 1.801 177.946 176.300 -0.259 0.000 1.090 436 M CA 1.500 56.396 55.300 -0.674 0.000 1.110 436 M CB -0.657 31.319 32.600 -1.041 0.000 1.407 436 M HN 0.161 nan 8.290 nan 0.000 0.470 437 G N 0.545 109.259 108.800 -0.144 0.000 2.596 437 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.295 437 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.295 437 G C -0.156 174.696 174.900 -0.081 0.000 1.240 437 G CA -0.207 44.855 45.100 -0.062 0.000 0.985 437 G HN 0.201 nan 8.290 nan 0.000 0.555 438 V N 2.196 122.100 119.914 -0.017 0.000 2.313 438 V HA 0.331 4.451 4.120 -0.000 0.000 0.252 438 V C 1.199 177.349 176.094 0.093 0.000 1.112 438 V CA 0.024 62.352 62.300 0.046 0.000 0.984 438 V CB -0.277 31.575 31.823 0.050 0.000 1.157 438 V HN 0.516 nan 8.190 nan 0.000 0.493 439 I N 2.985 123.571 120.570 0.027 0.000 2.892 439 I HA 0.059 4.229 4.170 -0.000 0.000 0.287 439 I C 0.962 177.273 176.117 0.325 0.000 1.205 439 I CA -0.323 61.007 61.300 0.050 0.000 1.409 439 I CB 0.125 37.944 38.000 -0.301 0.000 1.367 439 I HN 0.584 nan 8.210 nan 0.000 0.597 440 H N 4.004 123.221 119.070 0.246 0.000 3.070 440 H HA 0.196 4.752 4.556 -0.000 0.000 0.313 440 H C 0.995 176.446 175.328 0.205 0.000 0.997 440 H CA 0.935 57.121 56.048 0.229 0.000 1.438 440 H CB 0.217 30.103 29.762 0.208 0.000 1.455 440 H HN 0.760 nan 8.280 nan 0.000 0.575 441 G N 3.652 112.299 108.800 -0.255 0.000 2.199 441 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.254 441 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.254 441 G C 0.594 175.497 174.900 0.006 0.000 0.982 441 G CA 0.471 45.418 45.100 -0.255 0.000 0.632 441 G HN 0.645 nan 8.290 nan 0.000 0.529 442 Y N 1.523 121.930 120.300 0.180 0.000 2.477 442 Y HA 0.215 4.765 4.550 -0.000 0.000 0.303 442 Y C 2.337 178.377 175.900 0.233 0.000 1.202 442 Y CA 1.055 59.336 58.100 0.302 0.000 1.282 442 Y CB 0.358 39.029 38.460 0.350 0.000 1.071 442 Y HN 0.544 nan 8.280 nan 0.000 0.510 443 E N -0.195 120.000 120.200 -0.009 0.000 2.415 443 E HA -0.041 4.309 4.350 -0.000 0.000 0.197 443 E C 1.640 178.174 176.600 -0.110 0.000 1.007 443 E CA 0.551 56.636 56.400 -0.525 0.000 0.890 443 E CB -0.445 28.569 29.700 -1.144 0.000 0.891 443 E HN 0.513 nan 8.360 nan 0.000 0.496 444 I N 2.659 123.259 120.570 0.050 0.000 2.163 444 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 444 I C 2.577 178.751 176.117 0.094 0.000 1.085 444 I CA 2.096 63.472 61.300 0.127 0.000 1.347 444 I CB -0.452 37.666 38.000 0.197 0.000 1.044 444 I HN 0.206 nan 8.210 nan 0.000 0.408 445 E N 0.777 120.992 120.200 0.026 0.000 2.265 445 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 445 E C 1.958 178.400 176.600 -0.265 0.000 0.996 445 E CA 1.384 57.709 56.400 -0.125 0.000 0.832 445 E CB -0.442 29.175 29.700 -0.138 0.000 0.756 445 E HN 0.437 nan 8.360 nan 0.000 0.491 446 F N 1.059 120.922 119.950 -0.146 0.000 2.270 446 F HA -0.022 4.505 4.527 -0.000 0.000 0.295 446 F C 2.351 177.996 175.800 -0.258 0.000 1.087 446 F CA 0.502 58.379 58.000 -0.205 0.000 1.365 446 F CB -0.166 38.747 39.000 -0.145 0.000 1.056 446 F HN -0.142 nan 8.300 nan 0.000 0.506 447 V N -0.918 118.930 119.914 -0.111 0.000 2.407 447 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 447 V C 1.550 177.487 176.094 -0.261 0.000 1.055 447 V CA 1.614 63.724 62.300 -0.318 0.000 1.049 447 V CB -0.658 31.027 31.823 -0.231 0.000 0.662 447 V HN 0.202 nan 8.190 nan 0.000 0.455 448 F N 0.417 120.238 119.950 -0.215 0.000 2.692 448 F HA 0.432 4.958 4.527 -0.000 0.000 0.303 448 F C 1.772 177.478 175.800 -0.156 0.000 1.114 448 F CA 0.445 58.343 58.000 -0.170 0.000 1.361 448 F CB -0.321 38.562 39.000 -0.195 0.000 1.063 448 F HN 0.243 nan 8.300 nan 0.000 0.550 449 G N 0.268 108.990 108.800 -0.129 0.000 2.179 449 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.257 449 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.257 449 G C 1.213 175.817 174.900 -0.494 0.000 1.010 449 G CA 0.428 45.383 45.100 -0.242 0.000 0.736 449 G HN 0.291 nan 8.290 nan 0.000 0.513 450 L N -0.187 120.713 121.223 -0.538 0.000 2.079 450 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 450 L C 0.301 176.723 176.870 -0.747 0.000 1.081 450 L CA 2.559 57.010 54.840 -0.648 0.000 0.752 450 L CB -1.922 39.868 42.059 -0.449 0.000 0.896 450 L HN 0.192 nan 8.230 nan 0.000 0.433 451 P HA -0.117 nan 4.420 nan 0.000 0.226 451 P C 1.645 178.690 177.300 -0.426 0.000 1.146 451 P CA 0.771 63.264 63.100 -1.011 0.000 0.773 451 P CB 0.102 31.167 31.700 -1.058 0.000 0.772 452 L N -1.780 119.202 121.223 -0.402 0.000 2.418 452 L HA 0.007 4.347 4.340 -0.000 0.000 0.218 452 L C 1.094 177.839 176.870 -0.209 0.000 1.125 452 L CA 0.772 55.464 54.840 -0.246 0.000 0.835 452 L CB -0.628 41.314 42.059 -0.194 0.000 0.953 452 L HN -0.118 nan 8.230 nan 0.000 0.454 453 V N -0.449 119.291 119.914 -0.289 0.000 2.353 453 V HA 0.184 4.304 4.120 -0.000 0.000 0.264 453 V C 1.473 177.519 176.094 -0.080 0.000 1.049 453 V CA -0.504 61.686 62.300 -0.183 0.000 0.896 453 V CB 1.064 32.738 31.823 -0.249 0.000 1.025 453 V HN 0.151 nan 8.190 nan 0.000 0.475 454 K N 4.316 124.688 120.400 -0.047 0.000 2.113 454 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 454 K C 1.967 178.556 176.600 -0.018 0.000 1.047 454 K CA 2.138 58.414 56.287 -0.020 0.000 0.928 454 K CB -0.113 32.377 32.500 -0.017 0.000 0.716 454 K HN 0.932 nan 8.250 nan 0.000 0.446 455 E N 0.246 120.429 120.200 -0.027 0.000 2.401 455 E HA -0.174 4.176 4.350 -0.000 0.000 0.199 455 E C 1.568 178.142 176.600 -0.044 0.000 1.023 455 E CA 0.741 57.121 56.400 -0.033 0.000 0.859 455 E CB -0.320 29.360 29.700 -0.033 0.000 0.780 455 E HN 0.352 nan 8.360 nan 0.000 0.523 456 L N 0.407 121.614 121.223 -0.028 0.000 2.478 456 L HA 0.039 4.378 4.340 -0.000 0.000 0.223 456 L C 0.065 176.859 176.870 -0.127 0.000 1.140 456 L CA 0.285 55.099 54.840 -0.043 0.000 0.842 456 L CB -0.786 41.326 42.059 0.089 0.000 0.953 456 L HN 0.147 nan 8.230 nan 0.000 0.452 457 N N -1.554 117.110 118.700 -0.060 0.000 2.754 457 N HA -0.236 4.504 4.740 -0.000 0.000 0.248 457 N C -0.588 174.861 175.510 -0.101 0.000 1.093 457 N CA 0.107 53.108 53.050 -0.080 0.000 0.699 457 N CB -1.081 37.338 38.487 -0.114 0.000 1.016 457 N HN 0.261 nan 8.380 nan 0.000 0.552 458 Y N 0.676 120.942 120.300 -0.056 0.000 2.298 458 Y HA 0.218 4.768 4.550 -0.000 0.000 0.329 458 Y C 1.755 177.654 175.900 -0.001 0.000 1.293 458 Y CA 0.008 58.092 58.100 -0.028 0.000 1.388 458 Y CB 0.612 39.022 38.460 -0.084 0.000 1.309 458 Y HN 0.032 nan 8.280 nan 0.000 0.544 459 T N -1.733 112.952 114.554 0.219 0.000 2.788 459 T HA 0.370 4.720 4.350 -0.000 0.000 0.287 459 T C 1.170 175.936 174.700 0.110 0.000 1.007 459 T CA -0.270 61.912 62.100 0.135 0.000 1.005 459 T CB 1.089 70.040 68.868 0.138 0.000 1.012 459 T HN 0.756 nan 8.240 nan 0.000 0.530 460 A N 0.535 123.396 122.820 0.068 0.000 1.969 460 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 460 A C 2.119 179.727 177.584 0.040 0.000 1.169 460 A CA 1.437 53.499 52.037 0.042 0.000 0.635 460 A CB -0.960 18.056 19.000 0.028 0.000 0.810 460 A HN 0.920 nan 8.150 nan 0.000 0.445 461 E N 0.309 120.540 120.200 0.052 0.000 2.204 461 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 461 E C 1.774 178.394 176.600 0.034 0.000 0.989 461 E CA 1.301 57.720 56.400 0.033 0.000 0.824 461 E CB -0.170 29.550 29.700 0.034 0.000 0.756 461 E HN 0.763 nan 8.360 nan 0.000 0.477 462 E N 0.532 120.796 120.200 0.106 0.000 2.158 462 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 462 E C 1.937 178.609 176.600 0.119 0.000 0.982 462 E CA 0.616 57.145 56.400 0.215 0.000 0.823 462 E CB 0.047 29.996 29.700 0.415 0.000 0.766 462 E HN 0.305 nan 8.360 nan 0.000 0.468 463 E N 0.961 121.173 120.200 0.021 0.000 2.077 463 E HA -0.191 4.158 4.350 -0.000 0.000 0.193 463 E C 2.024 178.607 176.600 -0.029 0.000 0.989 463 E CA 0.972 57.339 56.400 -0.056 0.000 0.800 463 E CB -0.021 29.651 29.700 -0.047 0.000 0.746 463 E HN 0.199 nan 8.360 nan 0.000 0.452 464 A N 1.060 123.876 122.820 -0.008 0.000 1.930 464 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 464 A C 2.109 179.684 177.584 -0.015 0.000 1.175 464 A CA 1.165 53.190 52.037 -0.020 0.000 0.627 464 A CB -0.558 18.432 19.000 -0.017 0.000 0.815 464 A HN 0.383 nan 8.150 nan 0.000 0.443 465 L N -0.297 120.935 121.223 0.014 0.000 2.056 465 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 465 L C 2.548 179.470 176.870 0.085 0.000 1.078 465 L CA 2.575 57.427 54.840 0.020 0.000 0.749 465 L CB -0.879 41.148 42.059 -0.054 0.000 0.901 465 L HN 0.325 nan 8.230 nan 0.000 0.433 466 S N -0.659 115.137 115.700 0.160 0.000 2.356 466 S HA -0.212 4.258 4.470 -0.000 0.000 0.223 466 S C 2.193 176.773 174.600 -0.034 0.000 1.032 466 S CA 1.418 59.666 58.200 0.080 0.000 1.005 466 S CB -0.226 62.909 63.200 -0.107 0.000 0.867 466 S HN 0.538 nan 8.310 nan 0.000 0.449 467 R N 0.735 121.207 120.500 -0.047 0.000 2.096 467 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 467 R C 2.650 178.907 176.300 -0.071 0.000 1.127 467 R CA 1.692 57.756 56.100 -0.060 0.000 0.968 467 R CB -0.297 29.962 30.300 -0.068 0.000 0.861 467 R HN 0.596 nan 8.270 nan 0.000 0.440 468 R N 0.312 120.753 120.500 -0.099 0.000 2.119 468 R HA 0.009 4.348 4.340 -0.000 0.000 0.222 468 R C 1.991 178.166 176.300 -0.209 0.000 1.088 468 R CA 1.084 57.052 56.100 -0.221 0.000 0.984 468 R CB -0.412 29.734 30.300 -0.257 0.000 0.884 468 R HN 0.192 nan 8.270 nan 0.000 0.447 469 I N 1.333 121.879 120.570 -0.040 0.000 2.252 469 I HA -0.194 3.975 4.170 -0.000 0.000 0.245 469 I C 2.558 178.647 176.117 -0.047 0.000 1.102 469 I CA 1.391 62.687 61.300 -0.007 0.000 1.385 469 I CB -0.189 37.667 38.000 -0.240 0.000 1.064 469 I HN 0.162 nan 8.210 nan 0.000 0.414 470 M N -0.548 119.001 119.600 -0.085 0.000 2.159 470 M HA -0.251 4.229 4.480 -0.000 0.000 0.263 470 M C 2.392 178.766 176.300 0.124 0.000 1.063 470 M CA 1.725 57.003 55.300 -0.036 0.000 1.110 470 M CB -0.698 31.870 32.600 -0.053 0.000 1.374 470 M HN 0.265 nan 8.290 nan 0.000 0.411 471 H N -0.315 118.756 119.070 0.002 0.000 2.357 471 H HA -0.143 4.412 4.556 -0.000 0.000 0.301 471 H C 1.589 177.014 175.328 0.161 0.000 1.082 471 H CA 1.982 58.038 56.048 0.014 0.000 1.342 471 H CB -0.073 29.630 29.762 -0.099 0.000 1.389 471 H HN 0.256 nan 8.280 nan 0.000 0.511 472 Y N -0.657 119.811 120.300 0.281 0.000 2.097 472 Y HA -0.283 4.267 4.550 -0.000 0.000 0.282 472 Y C 2.649 178.739 175.900 0.316 0.000 1.152 472 Y CA 1.338 59.632 58.100 0.323 0.000 1.136 472 Y CB -1.091 37.749 38.460 0.633 0.000 0.975 472 Y HN 0.367 nan 8.280 nan 0.000 0.498 473 W N -0.474 120.939 121.300 0.188 0.000 2.335 473 W HA -0.271 4.389 4.660 -0.000 0.000 0.311 473 W C 2.574 179.091 176.519 -0.003 0.000 1.213 473 W CA 1.261 58.645 57.345 0.063 0.000 1.274 473 W CB -0.494 28.952 29.460 -0.023 0.000 1.148 473 W HN 0.090 nan 8.180 nan 0.000 0.498 474 A N -0.217 122.708 122.820 0.175 0.000 1.897 474 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 474 A C 1.814 179.361 177.584 -0.062 0.000 1.181 474 A CA 2.072 54.117 52.037 0.013 0.000 0.620 474 A CB -1.193 17.804 19.000 -0.005 0.000 0.821 474 A HN 0.184 nan 8.150 nan 0.000 0.443 475 T N -0.580 113.900 114.554 -0.123 0.000 2.788 475 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 475 T C 1.590 176.219 174.700 -0.118 0.000 1.044 475 T CA 1.570 63.563 62.100 -0.179 0.000 1.139 475 T CB -0.382 68.316 68.868 -0.282 0.000 0.867 475 T HN 0.498 nan 8.240 nan 0.000 0.454 476 F N 2.373 122.214 119.950 -0.182 0.000 2.102 476 F HA 0.040 4.567 4.527 -0.000 0.000 0.298 476 F C 2.437 178.133 175.800 -0.174 0.000 1.105 476 F CA 0.970 58.825 58.000 -0.242 0.000 1.239 476 F CB -0.781 38.010 39.000 -0.348 0.000 0.991 476 F HN 0.134 nan 8.300 nan 0.000 0.474 477 A N 0.487 123.129 122.820 -0.296 0.000 1.940 477 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 477 A C 2.232 179.643 177.584 -0.289 0.000 1.176 477 A CA 2.065 53.909 52.037 -0.320 0.000 0.631 477 A CB -0.708 18.209 19.000 -0.140 0.000 0.814 477 A HN 0.522 nan 8.150 nan 0.000 0.446 478 K N -1.177 119.095 120.400 -0.213 0.000 2.103 478 K HA -0.065 4.254 4.320 -0.000 0.000 0.204 478 K C 1.882 178.373 176.600 -0.181 0.000 1.052 478 K CA 1.711 57.902 56.287 -0.160 0.000 0.945 478 K CB -0.125 32.307 32.500 -0.113 0.000 0.722 478 K HN 0.701 nan 8.250 nan 0.000 0.443 479 T N -4.627 109.787 114.554 -0.232 0.000 2.975 479 T HA 0.249 4.599 4.350 -0.000 0.000 0.261 479 T C 1.256 175.809 174.700 -0.245 0.000 0.984 479 T CA 0.365 62.348 62.100 -0.195 0.000 0.911 479 T CB 1.043 69.829 68.868 -0.135 0.000 1.127 479 T HN 0.277 nan 8.240 nan 0.000 0.514 480 G N 1.514 110.032 108.800 -0.471 0.000 2.141 480 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.242 480 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.242 480 G C -0.201 174.623 174.900 -0.126 0.000 0.982 480 G CA 0.031 44.835 45.100 -0.494 0.000 0.662 480 G HN 0.845 nan 8.290 nan 0.000 0.527 481 N N -0.259 118.349 118.700 -0.152 0.000 2.478 481 N HA 0.423 5.163 4.740 -0.000 0.000 0.291 481 N C -1.582 173.789 175.510 -0.233 0.000 1.090 481 N CA -1.436 51.495 53.050 -0.198 0.000 0.911 481 N CB 2.480 40.925 38.487 -0.070 0.000 1.546 481 N HN -0.061 nan 8.380 nan 0.000 0.500 482 P HA -0.053 nan 4.420 nan 0.000 0.223 482 P C -0.425 176.921 177.300 0.076 0.000 1.151 482 P CA 0.679 63.659 63.100 -0.200 0.000 0.787 482 P CB 0.370 31.706 31.700 -0.607 0.000 0.788 483 N N 1.297 119.996 118.700 -0.002 0.000 2.518 483 N HA 0.108 4.848 4.740 -0.000 0.000 0.283 483 N C -0.072 175.476 175.510 0.064 0.000 1.119 483 N CA -0.077 53.054 53.050 0.135 0.000 0.983 483 N CB 1.104 39.675 38.487 0.140 0.000 1.139 483 N HN 0.114 nan 8.380 nan 0.000 0.465 484 E N 2.131 122.391 120.200 0.100 0.000 2.194 484 E HA 0.224 4.574 4.350 -0.000 0.000 0.284 484 E C -2.222 174.367 176.600 -0.018 0.000 1.035 484 E CA -1.815 54.613 56.400 0.047 0.000 0.836 484 E CB 0.596 30.376 29.700 0.134 0.000 1.070 484 E HN 0.237 nan 8.360 nan 0.000 0.401 485 P HA -0.134 nan 4.420 nan 0.000 0.264 485 P C -1.233 175.762 177.300 -0.507 0.000 1.173 485 P CA 0.513 63.380 63.100 -0.387 0.000 0.761 485 P CB 0.101 31.456 31.700 -0.575 0.000 0.794 486 H N -0.382 118.728 119.070 0.066 0.000 2.111 486 H HA -0.089 4.467 4.556 -0.000 0.000 0.315 486 H C -0.259 175.106 175.328 0.062 0.000 0.885 486 H CA 0.583 56.667 56.048 0.060 0.000 1.042 486 H CB -2.204 27.586 29.762 0.047 0.000 1.589 486 H HN 0.229 nan 8.280 nan 0.000 0.316 487 S N 0.009 115.808 115.700 0.164 0.000 2.638 487 S HA 0.400 4.870 4.470 -0.000 0.000 0.302 487 S C 1.056 175.725 174.600 0.115 0.000 1.096 487 S CA -0.721 57.562 58.200 0.139 0.000 0.953 487 S CB 1.905 65.178 63.200 0.121 0.000 1.107 487 S HN 0.489 nan 8.310 nan 0.000 0.503 488 Q N 0.982 120.838 119.800 0.093 0.000 2.172 488 Q HA 0.183 4.522 4.340 -0.000 0.000 0.200 488 Q C -0.115 175.932 176.000 0.079 0.000 0.964 488 Q CA 1.111 56.960 55.803 0.076 0.000 0.855 488 Q CB -0.191 28.581 28.738 0.056 0.000 0.918 488 Q HN 0.663 nan 8.270 nan 0.000 0.444 489 E N 0.200 120.452 120.200 0.087 0.000 2.436 489 E HA 0.062 4.412 4.350 -0.000 0.000 0.262 489 E C -0.274 176.403 176.600 0.128 0.000 1.063 489 E CA 0.089 56.548 56.400 0.098 0.000 0.944 489 E CB 0.512 30.274 29.700 0.103 0.000 0.950 489 E HN 0.029 nan 8.360 nan 0.000 0.444 490 S N 1.839 117.616 115.700 0.128 0.000 2.559 490 S HA -0.011 4.458 4.470 -0.000 0.000 0.282 490 S C 0.098 174.818 174.600 0.200 0.000 1.336 490 S CA 0.130 58.411 58.200 0.137 0.000 1.037 490 S CB 0.316 63.584 63.200 0.114 0.000 0.853 490 S HN 0.259 nan 8.310 nan 0.000 0.523 491 K N 1.120 121.635 120.400 0.191 0.000 2.244 491 K HA 0.167 4.487 4.320 -0.000 0.000 0.260 491 K C -0.898 175.890 176.600 0.313 0.000 0.951 491 K CA -0.556 55.883 56.287 0.253 0.000 0.826 491 K CB 1.056 33.679 32.500 0.206 0.000 1.108 491 K HN 0.614 nan 8.250 nan 0.000 0.433 492 W N 7.499 128.883 121.300 0.140 0.000 2.546 492 W HA 0.121 4.781 4.660 -0.000 0.000 0.323 492 W C -2.356 174.308 176.519 0.240 0.000 1.272 492 W CA -2.306 55.117 57.345 0.130 0.000 1.404 492 W CB -0.012 29.445 29.460 -0.004 0.000 1.411 492 W HN 0.402 nan 8.180 nan 0.000 0.480 493 P HA 0.095 nan 4.420 nan 0.000 0.274 493 P C -0.142 177.361 177.300 0.338 0.000 1.231 493 P CA -0.234 63.093 63.100 0.378 0.000 0.790 493 P CB 1.556 33.390 31.700 0.223 0.000 0.951 494 L N 2.285 123.551 121.223 0.072 0.000 2.485 494 L HA 0.097 4.436 4.340 -0.000 0.000 0.275 494 L C 0.878 177.729 176.870 -0.032 0.000 1.207 494 L CA -0.352 54.329 54.840 -0.266 0.000 0.855 494 L CB -0.231 41.699 42.059 -0.215 0.000 1.114 494 L HN 0.362 nan 8.230 nan 0.000 0.485 495 F N 3.118 122.968 119.950 -0.168 0.000 2.424 495 F HA 0.329 4.856 4.527 -0.000 0.000 0.356 495 F C 0.452 176.229 175.800 -0.039 0.000 1.110 495 F CA -0.560 57.437 58.000 -0.004 0.000 1.161 495 F CB 0.860 39.890 39.000 0.049 0.000 1.115 495 F HN 0.454 nan 8.300 nan 0.000 0.507 496 T N 1.191 115.461 114.554 -0.473 0.000 2.912 496 T HA 0.189 4.539 4.350 -0.000 0.000 0.288 496 T C 0.949 175.371 174.700 -0.463 0.000 1.030 496 T CA -0.072 61.846 62.100 -0.304 0.000 1.020 496 T CB 1.500 70.258 68.868 -0.184 0.000 1.056 496 T HN 0.684 nan 8.240 nan 0.000 0.480 497 T N 0.138 114.577 114.554 -0.191 0.000 2.778 497 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 497 T C 1.567 176.175 174.700 -0.153 0.000 1.050 497 T CA 2.010 64.036 62.100 -0.123 0.000 1.137 497 T CB -0.500 68.335 68.868 -0.055 0.000 0.860 497 T HN 0.745 nan 8.240 nan 0.000 0.468 498 K N -0.522 119.785 120.400 -0.155 0.000 2.029 498 K HA 0.013 4.333 4.320 -0.000 0.000 0.205 498 K C 2.291 178.810 176.600 -0.135 0.000 1.042 498 K CA 1.207 57.424 56.287 -0.115 0.000 0.949 498 K CB -0.029 32.420 32.500 -0.084 0.000 0.740 498 K HN 0.183 nan 8.250 nan 0.000 0.442 499 E N 0.763 120.858 120.200 -0.173 0.000 2.230 499 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 499 E C -0.288 176.187 176.600 -0.207 0.000 0.987 499 E CA 0.402 56.713 56.400 -0.149 0.000 0.841 499 E CB 0.278 29.909 29.700 -0.115 0.000 0.783 499 E HN 0.227 nan 8.360 nan 0.000 0.481 500 Q N 0.162 119.670 119.800 -0.487 0.000 2.453 500 Q HA -0.250 4.090 4.340 -0.000 0.000 0.294 500 Q C -0.742 175.171 176.000 -0.145 0.000 1.295 500 Q CA 0.577 55.920 55.803 -0.767 0.000 0.853 500 Q CB -1.578 27.015 28.738 -0.242 0.000 1.193 500 Q HN 0.208 nan 8.270 nan 0.000 0.461 501 K N 0.458 120.809 120.400 -0.083 0.000 2.219 501 K HA 0.563 4.883 4.320 -0.000 0.000 0.258 501 K C 0.025 176.935 176.600 0.516 0.000 1.008 501 K CA 0.201 56.588 56.287 0.167 0.000 0.928 501 K CB 0.443 32.983 32.500 0.068 0.000 0.983 501 K HN 0.230 nan 8.250 nan 0.000 0.484 502 F N -0.639 119.483 119.950 0.287 0.000 2.741 502 F HA 0.542 5.069 4.527 -0.000 0.000 0.311 502 F C -1.224 174.680 175.800 0.173 0.000 1.149 502 F CA -1.488 56.706 58.000 0.322 0.000 0.930 502 F CB 0.708 39.909 39.000 0.335 0.000 1.312 502 F HN 0.423 nan 8.300 nan 0.000 0.450 503 I N -0.711 119.950 120.570 0.152 0.000 2.910 503 I HA 0.678 4.848 4.170 -0.000 0.000 0.310 503 I C -1.193 175.055 176.117 0.218 0.000 1.043 503 I CA -0.808 60.443 61.300 -0.082 0.000 1.053 503 I CB 2.052 39.790 38.000 -0.437 0.000 1.242 503 I HN 0.460 nan 8.210 nan 0.000 0.452 504 D N 3.264 123.776 120.400 0.187 0.000 2.210 504 D HA 0.459 5.099 4.640 -0.000 0.000 0.249 504 D C -0.986 175.388 176.300 0.123 0.000 1.062 504 D CA 0.011 54.198 54.000 0.312 0.000 0.891 504 D CB 2.291 43.282 40.800 0.318 0.000 1.186 504 D HN 0.255 nan 8.370 nan 0.000 0.432 505 L N 3.576 124.875 121.223 0.127 0.000 2.301 505 L HA 0.306 4.646 4.340 -0.000 0.000 0.278 505 L C -0.519 176.263 176.870 -0.146 0.000 1.022 505 L CA -0.392 54.470 54.840 0.037 0.000 0.854 505 L CB 0.023 42.176 42.059 0.156 0.000 1.226 505 L HN 0.464 nan 8.230 nan 0.000 0.429 506 N N -0.685 117.936 118.700 -0.132 0.000 3.277 506 N HA 0.285 5.025 4.740 -0.000 0.000 0.278 506 N C 0.448 175.848 175.510 -0.182 0.000 1.544 506 N CA -0.141 52.773 53.050 -0.225 0.000 0.869 506 N CB 0.376 38.794 38.487 -0.115 0.000 1.584 506 N HN 0.092 nan 8.380 nan 0.000 0.564 507 T N -3.432 110.989 114.554 -0.221 0.000 3.113 507 T HA 0.080 4.430 4.350 -0.000 0.000 0.263 507 T C 0.028 174.701 174.700 -0.045 0.000 1.143 507 T CA 0.686 62.697 62.100 -0.149 0.000 1.090 507 T CB -0.550 68.234 68.868 -0.141 0.000 0.922 507 T HN 0.531 nan 8.240 nan 0.000 0.521 508 E N 1.835 122.023 120.200 -0.018 0.000 2.280 508 E HA 0.395 4.745 4.350 -0.000 0.000 0.264 508 E C -2.615 173.992 176.600 0.011 0.000 1.064 508 E CA -2.672 53.733 56.400 0.008 0.000 0.900 508 E CB 0.407 30.122 29.700 0.026 0.000 1.123 508 E HN 0.156 nan 8.360 nan 0.000 0.418 509 P HA -0.088 nan 4.420 nan 0.000 0.266 509 P C -0.409 176.901 177.300 0.017 0.000 1.195 509 P CA 0.263 63.375 63.100 0.021 0.000 0.768 509 P CB 0.384 32.095 31.700 0.018 0.000 0.838 510 M N 3.152 122.768 119.600 0.026 0.000 2.240 510 M HA -0.047 4.433 4.480 -0.000 0.000 0.346 510 M C -0.441 175.833 176.300 -0.043 0.000 1.236 510 M CA 1.215 56.518 55.300 0.004 0.000 0.986 510 M CB 0.009 32.629 32.600 0.033 0.000 1.786 510 M HN 0.224 nan 8.290 nan 0.000 0.457 511 K N 4.213 124.554 120.400 -0.099 0.000 2.471 511 K HA 0.519 4.839 4.320 -0.000 0.000 0.252 511 K C -1.508 174.843 176.600 -0.415 0.000 0.938 511 K CA -0.866 55.280 56.287 -0.235 0.000 0.796 511 K CB 2.423 34.789 32.500 -0.223 0.000 1.161 511 K HN 0.510 nan 8.250 nan 0.000 0.425 512 V N 3.993 123.643 119.914 -0.440 0.000 2.481 512 V HA 0.315 4.435 4.120 -0.000 0.000 0.286 512 V C -0.020 175.644 176.094 -0.716 0.000 1.042 512 V CA -0.457 61.576 62.300 -0.444 0.000 0.928 512 V CB 1.043 32.741 31.823 -0.209 0.000 0.986 512 V HN 0.706 nan 8.190 nan 0.000 0.462 513 H N 2.796 121.515 119.070 -0.585 0.000 2.908 513 H HA 0.634 5.190 4.556 -0.000 0.000 0.350 513 H C -1.028 173.976 175.328 -0.540 0.000 1.217 513 H CA -0.779 54.870 56.048 -0.664 0.000 1.168 513 H CB 2.303 31.420 29.762 -1.075 0.000 1.891 513 H HN 0.590 nan 8.280 nan 0.000 0.566 514 Q N 0.349 120.148 119.800 -0.002 0.000 2.423 514 Q HA 0.387 4.726 4.340 -0.000 0.000 0.278 514 Q C -0.575 175.652 176.000 0.380 0.000 1.097 514 Q CA -0.984 54.934 55.803 0.191 0.000 0.809 514 Q CB 2.868 31.653 28.738 0.079 0.000 1.391 514 Q HN 0.471 nan 8.270 nan 0.000 0.428 515 R N 0.889 121.610 120.500 0.368 0.000 3.079 515 R HA -0.206 4.134 4.340 -0.000 0.000 0.254 515 R C -0.540 175.904 176.300 0.240 0.000 0.900 515 R CA -0.141 56.123 56.100 0.275 0.000 0.641 515 R CB -1.578 28.821 30.300 0.164 0.000 1.307 515 R HN 0.453 nan 8.270 nan 0.000 0.477 516 L N 2.554 123.853 121.223 0.128 0.000 2.700 516 L HA -0.035 4.305 4.340 -0.000 0.000 0.272 516 L C 0.845 177.666 176.870 -0.081 0.000 1.176 516 L CA 0.731 55.417 54.840 -0.258 0.000 0.961 516 L CB -0.268 41.332 42.059 -0.765 0.000 1.249 516 L HN 0.459 nan 8.230 nan 0.000 0.487 517 R N 2.117 122.586 120.500 -0.051 0.000 3.387 517 R HA -0.207 4.133 4.340 -0.000 0.000 0.254 517 R C 1.295 177.650 176.300 0.092 0.000 1.006 517 R CA 0.603 56.720 56.100 0.028 0.000 0.677 517 R CB -2.067 28.263 30.300 0.051 0.000 1.063 517 R HN 0.767 nan 8.270 nan 0.000 0.453 518 V N -2.949 117.020 119.914 0.092 0.000 2.282 518 V HA -0.368 3.752 4.120 -0.000 0.000 0.249 518 V C 2.291 178.456 176.094 0.118 0.000 1.057 518 V CA 2.195 64.563 62.300 0.114 0.000 1.032 518 V CB -0.505 31.379 31.823 0.101 0.000 0.645 518 V HN 0.348 nan 8.190 nan 0.000 0.447 519 Q N -0.155 119.697 119.800 0.085 0.000 2.014 519 Q HA -0.199 4.141 4.340 -0.000 0.000 0.207 519 Q C 2.193 178.259 176.000 0.111 0.000 0.993 519 Q CA 2.466 58.306 55.803 0.063 0.000 0.850 519 Q CB -0.445 28.298 28.738 0.009 0.000 0.916 519 Q HN 0.563 nan 8.270 nan 0.000 0.417 520 M N -1.036 118.654 119.600 0.149 0.000 2.159 520 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 520 M C 2.356 178.952 176.300 0.493 0.000 1.063 520 M CA 0.952 56.431 55.300 0.299 0.000 1.110 520 M CB -1.252 31.583 32.600 0.391 0.000 1.374 520 M HN 0.341 nan 8.290 nan 0.000 0.411 521 c N -0.499 118.322 118.600 0.369 0.000 2.448 521 c HA -0.009 4.561 4.570 -0.000 0.000 0.280 521 c C 2.922 177.190 174.090 0.298 0.000 1.398 521 c CA 0.142 56.691 56.329 0.367 0.000 1.774 521 c CB -0.882 41.779 42.510 0.253 0.000 1.888 521 c HN 0.317 nan 8.230 nan 0.000 0.519 522 V N 0.480 120.538 119.914 0.240 0.000 2.358 522 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 522 V C 2.063 178.288 176.094 0.218 0.000 1.047 522 V CA 2.127 64.543 62.300 0.193 0.000 1.035 522 V CB -0.763 31.146 31.823 0.144 0.000 0.658 522 V HN 0.547 nan 8.190 nan 0.000 0.452 523 F N -0.052 119.943 119.950 0.074 0.000 2.102 523 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 523 F C 1.979 177.779 175.800 0.000 0.000 1.105 523 F CA 1.699 59.700 58.000 0.003 0.000 1.239 523 F CB -0.425 38.454 39.000 -0.202 0.000 0.991 523 F HN 0.170 nan 8.300 nan 0.000 0.474 524 W N 0.487 121.847 121.300 0.100 0.000 2.418 524 W HA -0.092 4.568 4.660 -0.000 0.000 0.292 524 W C 2.154 178.637 176.519 -0.060 0.000 1.213 524 W CA 0.808 58.142 57.345 -0.020 0.000 1.283 524 W CB -0.469 29.102 29.460 0.184 0.000 1.119 524 W HN -0.047 nan 8.180 nan 0.000 0.542 525 N N -0.526 118.299 118.700 0.209 0.000 2.395 525 N HA -0.029 4.711 4.740 -0.000 0.000 0.175 525 N C 1.359 176.871 175.510 0.004 0.000 1.029 525 N CA 1.027 54.109 53.050 0.053 0.000 0.897 525 N CB -0.151 38.389 38.487 0.088 0.000 0.991 525 N HN 0.362 nan 8.380 nan 0.000 0.441 526 Q N -1.019 118.809 119.800 0.046 0.000 2.622 526 Q HA 0.212 4.552 4.340 -0.000 0.000 0.208 526 Q C 1.335 177.342 176.000 0.011 0.000 0.911 526 Q CA -0.207 55.622 55.803 0.043 0.000 0.893 526 Q CB -0.069 28.729 28.738 0.100 0.000 1.124 526 Q HN 0.087 nan 8.270 nan 0.000 0.634 527 F N 1.837 121.720 119.950 -0.111 0.000 2.046 527 F HA -0.246 4.281 4.527 -0.000 0.000 0.297 527 F C 1.977 177.617 175.800 -0.266 0.000 1.123 527 F CA 1.286 59.194 58.000 -0.153 0.000 1.199 527 F CB -0.405 38.539 39.000 -0.094 0.000 0.972 527 F HN 0.072 nan 8.300 nan 0.000 0.474 528 L N 0.919 121.753 121.223 -0.649 0.000 2.013 528 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 528 L C -0.778 175.828 176.870 -0.441 0.000 1.073 528 L CA 2.220 56.623 54.840 -0.730 0.000 0.753 528 L CB -1.921 39.636 42.059 -0.836 0.000 0.890 528 L HN 0.026 nan 8.230 nan 0.000 0.432 529 P HA -0.200 nan 4.420 nan 0.000 0.216 529 P C 1.406 178.593 177.300 -0.189 0.000 1.153 529 P CA 1.709 64.713 63.100 -0.158 0.000 0.858 529 P CB -0.045 31.593 31.700 -0.104 0.000 0.789 530 K N -0.713 119.542 120.400 -0.243 0.000 2.057 530 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 530 K C 2.109 178.540 176.600 -0.282 0.000 1.050 530 K CA 0.992 57.147 56.287 -0.221 0.000 0.935 530 K CB -0.856 31.526 32.500 -0.196 0.000 0.715 530 K HN 0.158 nan 8.250 nan 0.000 0.439 531 L N 1.245 122.185 121.223 -0.472 0.000 2.046 531 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 531 L C 2.007 178.731 176.870 -0.242 0.000 1.077 531 L CA 1.231 55.816 54.840 -0.425 0.000 0.747 531 L CB -0.063 41.619 42.059 -0.628 0.000 0.896 531 L HN 0.164 nan 8.230 nan 0.000 0.432 532 L N -0.306 120.787 121.223 -0.217 0.000 2.240 532 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 532 L C 2.111 178.926 176.870 -0.091 0.000 1.106 532 L CA 1.054 55.815 54.840 -0.133 0.000 0.793 532 L CB -0.584 41.414 42.059 -0.101 0.000 0.927 532 L HN 0.390 nan 8.230 nan 0.000 0.446 533 N N 0.457 119.098 118.700 -0.098 0.000 2.354 533 N HA -0.084 4.656 4.740 -0.000 0.000 0.179 533 N C 1.808 177.281 175.510 -0.061 0.000 1.021 533 N CA 1.034 54.044 53.050 -0.067 0.000 0.887 533 N CB 0.129 38.577 38.487 -0.065 0.000 0.974 533 N HN 0.225 nan 8.380 nan 0.000 0.437 534 A N -1.039 121.733 122.820 -0.080 0.000 1.869 534 A HA 0.151 4.471 4.320 -0.000 0.000 0.218 534 A C 1.326 178.884 177.584 -0.044 0.000 1.203 534 A CA 2.552 54.552 52.037 -0.062 0.000 0.638 534 A CB -1.269 17.686 19.000 -0.074 0.000 0.831 534 A HN 0.643 nan 8.150 nan 0.000 0.450 535 T N 0.000 114.527 114.554 -0.045 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 535 T CA 0.000 62.081 62.100 -0.032 0.000 1.349 535 T CB 0.000 68.854 68.868 -0.024 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658