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 2j3q_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN ATAC 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 0.000 174.639 174.600 0.066 0.000 1.055 4 S CA 0.000 58.224 58.200 0.040 0.000 1.107 4 S CB 0.000 63.220 63.200 0.033 0.000 0.593 5 E N 2.268 122.518 120.200 0.082 0.000 2.511 5 E HA 0.109 4.459 4.350 -0.001 0.000 0.196 5 E C 0.877 177.602 176.600 0.208 0.000 1.066 5 E CA 0.290 56.772 56.400 0.136 0.000 0.871 5 E CB -0.099 29.684 29.700 0.138 0.000 0.863 5 E HN 0.618 nan 8.360 nan 0.000 0.520 6 L N 0.603 121.903 121.223 0.127 0.000 2.592 6 L HA 0.214 4.554 4.340 -0.001 0.000 0.227 6 L C 0.359 177.324 176.870 0.157 0.000 1.127 6 L CA -0.245 54.636 54.840 0.069 0.000 0.884 6 L CB 0.284 42.311 42.059 -0.054 0.000 1.065 6 L HN 0.212 nan 8.230 nan 0.000 0.457 7 L N 0.723 122.051 121.223 0.174 0.000 2.305 7 L HA 0.556 4.896 4.340 -0.001 0.000 0.284 7 L C -0.671 176.286 176.870 0.144 0.000 1.013 7 L CA -0.250 54.690 54.840 0.167 0.000 0.819 7 L CB 1.580 43.694 42.059 0.092 0.000 1.227 7 L HN -0.325 nan 8.230 nan 0.000 0.417 8 V N 4.378 124.383 119.914 0.153 0.000 2.789 8 V HA 0.504 4.623 4.120 -0.001 0.000 0.311 8 V C -0.772 175.271 176.094 -0.084 0.000 1.073 8 V CA -0.838 61.417 62.300 -0.075 0.000 0.921 8 V CB 2.273 33.845 31.823 -0.420 0.000 1.009 8 V HN 0.797 nan 8.190 nan 0.000 0.426 9 N N 1.812 120.357 118.700 -0.257 0.000 2.446 9 N HA 0.637 5.377 4.740 -0.001 0.000 0.265 9 N C -0.455 174.678 175.510 -0.629 0.000 0.975 9 N CA -0.209 52.658 53.050 -0.305 0.000 0.928 9 N CB 1.562 39.873 38.487 -0.293 0.000 1.160 9 N HN 0.932 nan 8.380 nan 0.000 0.495 10 T N -0.082 114.240 114.554 -0.387 0.000 2.950 10 T HA 0.340 4.689 4.350 -0.001 0.000 0.288 10 T C 0.673 175.173 174.700 -0.333 0.000 1.035 10 T CA -0.792 61.068 62.100 -0.401 0.000 1.028 10 T CB 1.151 70.093 68.868 0.124 0.000 1.109 10 T HN 0.413 nan 8.240 nan 0.000 0.514 11 K N 0.950 121.217 120.400 -0.222 0.000 2.675 11 K HA 0.024 4.343 4.320 -0.001 0.000 0.194 11 K C 0.936 177.438 176.600 -0.163 0.000 1.029 11 K CA 0.445 56.639 56.287 -0.156 0.000 0.980 11 K CB -0.226 32.237 32.500 -0.063 0.000 0.803 11 K HN 0.474 nan 8.250 nan 0.000 0.493 12 S N -0.968 114.581 115.700 -0.252 0.000 2.631 12 S HA 0.232 4.702 4.470 -0.001 0.000 0.246 12 S C 0.453 174.325 174.600 -1.214 0.000 1.068 12 S CA 0.003 57.931 58.200 -0.454 0.000 0.995 12 S CB 1.554 64.687 63.200 -0.113 0.000 0.944 12 S HN 0.542 nan 8.310 nan 0.000 0.529 13 G N 1.203 109.369 108.800 -1.056 0.000 2.343 13 G HA2 0.283 4.243 3.960 -0.001 0.000 0.289 13 G HA3 0.283 4.243 3.960 -0.001 0.000 0.289 13 G C -2.184 172.608 174.900 -0.180 0.000 1.295 13 G CA -1.026 43.395 45.100 -1.131 0.000 0.869 13 G HN 0.080 nan 8.290 nan 0.000 0.522 14 K N -0.591 119.977 120.400 0.279 0.000 2.098 14 K HA 0.682 5.002 4.320 -0.001 0.000 0.258 14 K C -0.214 176.788 176.600 0.669 0.000 0.973 14 K CA -0.738 55.773 56.287 0.374 0.000 0.898 14 K CB 2.250 34.900 32.500 0.249 0.000 1.057 14 K HN 0.983 nan 8.250 nan 0.000 0.447 15 V N -0.425 119.802 119.914 0.521 0.000 2.577 15 V HA 0.495 4.614 4.120 -0.001 0.000 0.303 15 V C -0.875 175.488 176.094 0.448 0.000 1.042 15 V CA -1.043 61.606 62.300 0.581 0.000 0.872 15 V CB 1.503 33.769 31.823 0.738 0.000 0.998 15 V HN 0.759 nan 8.190 nan 0.000 0.423 16 M N 5.681 125.464 119.600 0.305 0.000 2.069 16 M HA 0.759 5.239 4.480 -0.001 0.000 0.349 16 M C 0.587 176.878 176.300 -0.016 0.000 1.194 16 M CA 0.320 55.700 55.300 0.134 0.000 1.081 16 M CB 0.354 32.995 32.600 0.069 0.000 1.500 16 M HN 1.051 nan 8.290 nan 0.000 0.438 17 G N 2.146 110.782 108.800 -0.274 0.000 2.580 17 G HA2 0.501 4.461 3.960 -0.001 0.000 0.225 17 G HA3 0.501 4.461 3.960 -0.001 0.000 0.225 17 G C -0.753 173.881 174.900 -0.443 0.000 1.521 17 G CA 0.149 44.769 45.100 -0.801 0.000 1.068 17 G HN 0.737 nan 8.290 nan 0.000 0.564 18 T N -1.779 112.497 114.554 -0.463 0.000 3.225 18 T HA 0.387 4.737 4.350 -0.001 0.000 0.356 18 T C -1.089 173.503 174.700 -0.180 0.000 1.460 18 T CA -0.648 61.304 62.100 -0.246 0.000 1.126 18 T CB 1.268 70.015 68.868 -0.202 0.000 1.321 18 T HN 0.612 nan 8.240 nan 0.000 0.478 19 R N 3.419 123.865 120.500 -0.089 0.000 2.267 19 R HA 0.634 4.974 4.340 -0.001 0.000 0.319 19 R C -0.166 176.158 176.300 0.039 0.000 1.067 19 R CA -0.408 55.687 56.100 -0.008 0.000 0.936 19 R CB 0.363 30.659 30.300 -0.006 0.000 1.006 19 R HN 0.600 nan 8.270 nan 0.000 0.452 20 V N 2.492 122.450 119.914 0.073 0.000 2.769 20 V HA 0.699 4.819 4.120 -0.001 0.000 0.312 20 V C -2.569 173.538 176.094 0.021 0.000 1.061 20 V CA -2.684 59.649 62.300 0.055 0.000 0.931 20 V CB 1.887 33.714 31.823 0.007 0.000 1.010 20 V HN 0.737 nan 8.190 nan 0.000 0.433 21 P HA 0.291 nan 4.420 nan 0.000 0.275 21 P C -0.785 176.303 177.300 -0.353 0.000 1.227 21 P CA 0.028 62.874 63.100 -0.422 0.000 0.781 21 P CB 1.798 33.322 31.700 -0.294 0.000 0.906 22 V N 5.924 125.553 119.914 -0.476 0.000 2.637 22 V HA 0.183 4.303 4.120 -0.001 0.000 0.274 22 V C -0.282 175.479 176.094 -0.554 0.000 1.004 22 V CA -0.798 61.211 62.300 -0.485 0.000 0.894 22 V CB -0.168 31.344 31.823 -0.518 0.000 1.046 22 V HN 0.494 nan 8.190 nan 0.000 0.467 23 L N 6.037 127.081 121.223 -0.300 0.000 3.639 23 L HA -0.176 4.164 4.340 -0.001 0.000 0.648 23 L C 0.914 177.648 176.870 -0.227 0.000 1.130 23 L CA 0.816 55.535 54.840 -0.200 0.000 1.057 23 L CB -1.672 40.301 42.059 -0.143 0.000 1.428 23 L HN 1.528 nan 8.230 nan 0.000 0.829 24 S N -1.025 114.567 115.700 -0.180 0.000 3.559 24 S HA -0.168 4.302 4.470 -0.001 0.000 0.369 24 S C 0.121 174.653 174.600 -0.113 0.000 0.987 24 S CA 1.153 59.283 58.200 -0.117 0.000 1.187 24 S CB -0.945 62.235 63.200 -0.033 0.000 0.914 24 S HN 1.265 nan 8.310 nan 0.000 0.480 25 S N -0.529 115.002 115.700 -0.283 0.000 2.654 25 S HA 0.713 5.182 4.470 -0.001 0.000 0.267 25 S C -1.773 172.584 174.600 -0.405 0.000 1.151 25 S CA -0.560 57.575 58.200 -0.108 0.000 0.873 25 S CB 0.708 63.894 63.200 -0.022 0.000 1.181 25 S HN 0.861 nan 8.310 nan 0.000 0.489 26 H N 0.262 119.323 119.070 -0.014 0.000 2.990 26 H HA 0.826 5.381 4.556 -0.001 0.000 0.343 26 H C -0.744 174.648 175.328 0.108 0.000 1.270 26 H CA -0.464 55.588 56.048 0.007 0.000 1.118 26 H CB 1.369 31.142 29.762 0.017 0.000 1.861 26 H HN 0.655 nan 8.280 nan 0.000 0.544 27 I N -2.040 118.674 120.570 0.240 0.000 2.984 27 I HA 0.548 4.718 4.170 -0.001 0.000 0.303 27 I C -0.900 175.342 176.117 0.208 0.000 1.381 27 I CA -0.733 60.719 61.300 0.252 0.000 0.988 27 I CB 1.777 39.962 38.000 0.309 0.000 1.307 27 I HN 0.557 nan 8.210 nan 0.000 0.460 28 S N 2.234 118.073 115.700 0.232 0.000 2.585 28 S HA 0.804 5.274 4.470 -0.001 0.000 0.273 28 S C 0.107 174.795 174.600 0.145 0.000 1.339 28 S CA -0.077 58.230 58.200 0.179 0.000 1.028 28 S CB 1.068 64.504 63.200 0.394 0.000 0.906 28 S HN 1.106 nan 8.310 nan 0.000 0.528 29 A N 1.794 124.525 122.820 -0.148 0.000 2.437 29 A HA 0.697 5.017 4.320 -0.001 0.000 0.293 29 A C -1.480 175.836 177.584 -0.446 0.000 1.038 29 A CA -0.648 51.203 52.037 -0.310 0.000 0.708 29 A CB 0.578 19.333 19.000 -0.410 0.000 1.251 29 A HN 0.577 nan 8.150 nan 0.000 0.409 30 F N 3.075 122.828 119.950 -0.327 0.000 2.443 30 F HA 0.455 4.981 4.527 -0.000 0.000 0.369 30 F C -0.129 175.512 175.800 -0.264 0.000 1.090 30 F CA -0.667 57.237 58.000 -0.160 0.000 1.129 30 F CB 1.127 40.139 39.000 0.019 0.000 1.367 30 F HN 0.396 nan 8.300 nan 0.000 0.465 31 L N 1.996 123.121 121.223 -0.163 0.000 2.312 31 L HA 0.698 5.038 4.340 -0.001 0.000 0.281 31 L C 1.088 177.973 176.870 0.024 0.000 1.070 31 L CA -0.798 53.946 54.840 -0.160 0.000 0.805 31 L CB 1.195 43.056 42.059 -0.330 0.000 1.174 31 L HN 0.827 nan 8.230 nan 0.000 0.434 32 G N 2.707 111.564 108.800 0.094 0.000 2.160 32 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.244 32 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.244 32 G C 0.061 175.095 174.900 0.225 0.000 1.022 32 G CA -0.626 44.572 45.100 0.164 0.000 0.741 32 G HN 0.417 nan 8.290 nan 0.000 0.508 33 I N 2.113 122.705 120.570 0.037 0.000 2.505 33 I HA 0.186 4.356 4.170 -0.001 0.000 0.287 33 I C -1.384 174.500 176.117 -0.388 0.000 1.104 33 I CA -2.267 58.886 61.300 -0.245 0.000 1.387 33 I CB 0.047 37.901 38.000 -0.244 0.000 1.404 33 I HN 0.049 nan 8.210 nan 0.000 0.528 34 P HA 0.140 nan 4.420 nan 0.000 0.280 34 P C -0.270 176.652 177.300 -0.631 0.000 1.244 34 P CA -0.083 62.492 63.100 -0.876 0.000 0.784 34 P CB 0.775 31.802 31.700 -1.123 0.000 0.913 35 F N 0.518 120.128 119.950 -0.568 0.000 2.781 35 F HA 0.761 5.288 4.527 -0.001 0.000 0.322 35 F C -0.310 175.377 175.800 -0.189 0.000 1.108 35 F CA -1.079 56.653 58.000 -0.446 0.000 1.179 35 F CB 0.036 38.726 39.000 -0.516 0.000 1.072 35 F HN 0.394 nan 8.300 nan 0.000 0.545 36 A N -0.040 122.472 122.820 -0.513 0.000 2.604 36 A HA 0.584 4.903 4.320 -0.001 0.000 0.295 36 A C -1.039 176.362 177.584 -0.305 0.000 1.067 36 A CA -0.741 51.117 52.037 -0.297 0.000 0.683 36 A CB 1.105 19.907 19.000 -0.330 0.000 1.281 36 A HN 0.072 nan 8.150 nan 0.000 0.407 37 E N 1.242 121.355 120.200 -0.146 0.000 2.360 37 E HA 0.279 4.629 4.350 -0.001 0.000 0.269 37 E C -2.327 174.192 176.600 -0.136 0.000 1.022 37 E CA -1.379 54.956 56.400 -0.108 0.000 0.887 37 E CB 0.288 29.968 29.700 -0.034 0.000 0.990 37 E HN 0.254 nan 8.360 nan 0.000 0.426 38 P HA -0.051 nan 4.420 nan 0.000 0.255 38 P C -2.128 175.123 177.300 -0.081 0.000 1.161 38 P CA -0.459 62.580 63.100 -0.102 0.000 0.768 38 P CB -0.019 31.656 31.700 -0.042 0.000 0.746 39 P HA -0.013 nan 4.420 nan 0.000 0.237 39 P C -0.125 177.121 177.300 -0.089 0.000 1.723 39 P CA 0.183 63.234 63.100 -0.082 0.000 0.882 39 P CB -0.148 31.501 31.700 -0.086 0.000 1.810 40 V N -3.602 116.270 119.914 -0.071 0.000 2.834 40 V HA 0.850 4.970 4.120 -0.001 0.000 0.313 40 V C 0.997 177.060 176.094 -0.051 0.000 1.060 40 V CA 0.207 62.465 62.300 -0.069 0.000 0.989 40 V CB 0.641 32.433 31.823 -0.053 0.000 1.041 40 V HN 0.493 nan 8.190 nan 0.000 0.459 41 G N 2.697 111.468 108.800 -0.050 0.000 2.591 41 G HA2 -0.412 3.548 3.960 -0.001 0.000 0.298 41 G HA3 -0.412 3.548 3.960 -0.001 0.000 0.298 41 G C 0.722 175.608 174.900 -0.023 0.000 1.195 41 G CA 1.103 46.186 45.100 -0.028 0.000 0.989 41 G HN 1.157 nan 8.290 nan 0.000 0.551 42 N N 0.158 118.860 118.700 0.003 0.000 2.192 42 N HA -0.073 4.667 4.740 -0.001 0.000 0.188 42 N C 2.479 177.996 175.510 0.012 0.000 1.013 42 N CA 2.084 55.147 53.050 0.022 0.000 0.863 42 N CB -0.235 38.270 38.487 0.031 0.000 0.990 42 N HN 0.479 nan 8.380 nan 0.000 0.430 43 M N 0.064 119.657 119.600 -0.011 0.000 2.374 43 M HA -0.046 4.433 4.480 -0.001 0.000 0.264 43 M C 0.654 176.924 176.300 -0.051 0.000 1.067 43 M CA 0.346 55.635 55.300 -0.018 0.000 1.103 43 M CB -0.937 31.646 32.600 -0.029 0.000 1.402 43 M HN 0.103 nan 8.290 nan 0.000 0.444 44 R N 0.657 121.083 120.500 -0.124 0.000 2.485 44 R HA -0.127 4.212 4.340 -0.001 0.000 0.304 44 R C -0.356 175.768 176.300 -0.292 0.000 0.934 44 R CA 0.573 56.469 56.100 -0.339 0.000 1.102 44 R CB -0.048 29.937 30.300 -0.525 0.000 0.906 44 R HN 0.259 nan 8.270 nan 0.000 0.407 45 F N -0.470 119.481 119.950 0.002 0.000 2.496 45 F HA -0.291 4.236 4.527 -0.001 0.000 0.523 45 F C 0.738 176.524 175.800 -0.024 0.000 0.526 45 F CA 0.875 58.853 58.000 -0.036 0.000 1.272 45 F CB -1.314 37.649 39.000 -0.061 0.000 1.968 45 F HN 0.613 nan 8.300 nan 0.000 0.263 46 R N 1.601 122.178 120.500 0.128 0.000 2.637 46 R HA 0.460 4.800 4.340 -0.001 0.000 0.269 46 R C 0.883 177.219 176.300 0.059 0.000 1.089 46 R CA -0.719 55.432 56.100 0.085 0.000 1.177 46 R CB 0.557 30.892 30.300 0.059 0.000 1.091 46 R HN 0.162 nan 8.270 nan 0.000 0.540 47 R N 1.329 121.864 120.500 0.057 0.000 2.893 47 R HA 0.081 4.421 4.340 -0.001 0.000 0.279 47 R C -1.906 174.424 176.300 0.050 0.000 1.076 47 R CA -0.855 55.280 56.100 0.057 0.000 1.203 47 R CB -0.223 30.116 30.300 0.065 0.000 1.137 47 R HN 0.418 nan 8.270 nan 0.000 0.541 48 P HA 0.194 nan 4.420 nan 0.000 0.298 48 P C -1.183 176.154 177.300 0.063 0.000 1.314 48 P CA -0.358 62.775 63.100 0.054 0.000 0.854 48 P CB 1.510 33.261 31.700 0.085 0.000 1.019 49 E N 3.306 123.531 120.200 0.041 0.000 2.214 49 E HA 0.407 4.757 4.350 -0.001 0.000 0.274 49 E C -2.294 174.339 176.600 0.054 0.000 0.977 49 E CA -2.224 54.206 56.400 0.049 0.000 0.827 49 E CB 0.609 30.330 29.700 0.035 0.000 1.130 49 E HN 0.340 nan 8.360 nan 0.000 0.394 50 P HA -0.010 nan 4.420 nan 0.000 0.269 50 P C -0.367 176.978 177.300 0.075 0.000 1.209 50 P CA -0.227 62.938 63.100 0.108 0.000 0.776 50 P CB 0.426 32.201 31.700 0.124 0.000 0.876 51 K N 3.393 123.840 120.400 0.079 0.000 2.363 51 K HA 0.039 4.359 4.320 -0.001 0.000 0.289 51 K C -0.314 176.354 176.600 0.113 0.000 1.063 51 K CA 0.267 56.592 56.287 0.062 0.000 0.967 51 K CB -0.494 32.025 32.500 0.031 0.000 0.987 51 K HN 0.218 nan 8.250 nan 0.000 0.473 52 K N 6.452 126.911 120.400 0.099 0.000 2.466 52 K HA 0.008 4.328 4.320 -0.001 0.000 0.278 52 K C -2.141 174.530 176.600 0.119 0.000 1.048 52 K CA -1.216 55.126 56.287 0.093 0.000 1.088 52 K CB -0.140 32.413 32.500 0.088 0.000 0.884 52 K HN 0.501 nan 8.250 nan 0.000 0.478 53 P HA -0.160 nan 4.420 nan 0.000 0.261 53 P C -1.003 176.302 177.300 0.008 0.000 1.158 53 P CA 0.342 63.376 63.100 -0.109 0.000 0.758 53 P CB 0.158 31.770 31.700 -0.146 0.000 0.763 54 W N 2.569 123.937 121.300 0.113 0.000 2.448 54 W HA 0.613 5.273 4.660 -0.000 0.000 0.339 54 W C -0.448 176.155 176.519 0.140 0.000 1.124 54 W CA -0.934 56.508 57.345 0.161 0.000 1.262 54 W CB 0.029 29.669 29.460 0.300 0.000 1.251 54 W HN 0.353 nan 8.180 nan 0.000 0.597 55 S N 2.211 118.116 115.700 0.342 0.000 2.616 55 S HA 0.852 5.321 4.470 -0.001 0.000 0.277 55 S C 0.468 175.266 174.600 0.329 0.000 1.234 55 S CA -0.019 58.314 58.200 0.221 0.000 1.028 55 S CB 0.969 64.254 63.200 0.140 0.000 0.988 55 S HN 2.065 nan 8.310 nan 0.000 0.522 56 G N 0.083 109.022 108.800 0.232 0.000 2.615 56 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.218 56 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.218 56 G C -0.935 174.163 174.900 0.329 0.000 1.339 56 G CA -0.415 44.818 45.100 0.221 0.000 0.884 56 G HN 1.626 nan 8.290 nan 0.000 0.559 57 V N 0.584 120.655 119.914 0.261 0.000 2.378 57 V HA 0.481 4.601 4.120 -0.001 0.000 0.288 57 V C 0.264 176.505 176.094 0.245 0.000 1.016 57 V CA -0.554 61.931 62.300 0.308 0.000 0.840 57 V CB 1.681 33.613 31.823 0.182 0.000 0.994 57 V HN 0.712 nan 8.190 nan 0.000 0.431 58 W N 5.024 126.418 121.300 0.156 0.000 2.303 58 W HA 0.215 4.875 4.660 -0.000 0.000 0.318 58 W C 0.225 176.710 176.519 -0.057 0.000 1.362 58 W CA -0.271 56.965 57.345 -0.182 0.000 1.234 58 W CB 0.809 29.856 29.460 -0.688 0.000 1.248 58 W HN 0.696 nan 8.180 nan 0.000 0.546 59 N N 4.654 123.161 118.700 -0.321 0.000 2.482 59 N HA 0.282 5.021 4.740 -0.001 0.000 0.242 59 N C -0.692 174.825 175.510 0.013 0.000 1.100 59 N CA 0.028 52.998 53.050 -0.132 0.000 0.946 59 N CB 0.596 38.945 38.487 -0.229 0.000 1.227 59 N HN 0.327 nan 8.380 nan 0.000 0.508 60 A N 2.815 125.732 122.820 0.163 0.000 3.079 60 A HA 0.315 4.635 4.320 -0.001 0.000 0.315 60 A C 0.658 178.215 177.584 -0.043 0.000 1.334 60 A CA -0.466 51.664 52.037 0.154 0.000 1.048 60 A CB -0.481 18.691 19.000 0.288 0.000 1.156 60 A HN 0.650 nan 8.150 nan 0.000 0.523 61 S N -0.881 114.765 115.700 -0.091 0.000 2.666 61 S HA 0.271 4.740 4.470 -0.001 0.000 0.239 61 S C 0.337 174.838 174.600 -0.165 0.000 1.031 61 S CA 0.441 58.547 58.200 -0.156 0.000 1.015 61 S CB -0.151 62.968 63.200 -0.135 0.000 0.981 61 S HN 1.119 nan 8.310 nan 0.000 0.547 62 T N -0.674 113.797 114.554 -0.139 0.000 3.172 62 T HA 0.573 4.923 4.350 -0.001 0.000 0.320 62 T C -0.770 173.896 174.700 -0.056 0.000 1.085 62 T CA -0.627 61.400 62.100 -0.121 0.000 1.052 62 T CB 0.396 69.220 68.868 -0.074 0.000 1.107 62 T HN 0.071 nan 8.240 nan 0.000 0.458 63 Y N 3.585 123.857 120.300 -0.046 0.000 3.053 63 Y HA 0.169 4.719 4.550 -0.001 0.000 0.346 63 Y C -1.276 174.568 175.900 -0.093 0.000 1.279 63 Y CA -0.198 57.880 58.100 -0.036 0.000 1.513 63 Y CB 0.005 38.467 38.460 0.003 0.000 1.295 63 Y HN 0.576 nan 8.280 nan 0.000 0.642 64 P HA 0.185 nan 4.420 nan 0.000 0.310 64 P C -1.021 176.189 177.300 -0.151 0.000 1.309 64 P CA -0.683 62.302 63.100 -0.192 0.000 0.769 64 P CB 1.129 32.587 31.700 -0.403 0.000 1.327 65 N N -0.773 117.784 118.700 -0.238 0.000 2.399 65 N HA 0.128 4.868 4.740 -0.001 0.000 0.250 65 N C 0.093 175.552 175.510 -0.084 0.000 1.272 65 N CA -0.129 52.838 53.050 -0.138 0.000 0.928 65 N CB 0.096 38.505 38.487 -0.129 0.000 1.158 65 N HN 0.404 nan 8.380 nan 0.000 0.463 66 N N -0.709 117.944 118.700 -0.077 0.000 2.485 66 N HA 0.383 5.123 4.740 -0.001 0.000 0.280 66 N C -0.878 174.589 175.510 -0.071 0.000 1.205 66 N CA -0.813 52.194 53.050 -0.071 0.000 0.959 66 N CB 1.039 39.465 38.487 -0.101 0.000 1.206 66 N HN 0.376 nan 8.380 nan 0.000 0.545 67 c N 0.899 119.456 118.600 -0.072 0.000 2.595 67 c HA 0.150 4.719 4.570 -0.001 0.000 0.384 67 c C 0.394 174.403 174.090 -0.135 0.000 1.289 67 c CA -0.708 55.561 56.329 -0.101 0.000 2.372 67 c CB 0.279 42.750 42.510 -0.066 0.000 2.593 67 c HN 0.523 nan 8.230 nan 0.000 0.639 68 Q N 2.482 122.128 119.800 -0.256 0.000 2.289 68 Q HA 0.240 4.580 4.340 -0.001 0.000 0.273 68 Q C -0.028 175.939 176.000 -0.055 0.000 1.029 68 Q CA 0.884 56.526 55.803 -0.267 0.000 0.896 68 Q CB 0.555 28.900 28.738 -0.654 0.000 1.182 68 Q HN 0.892 nan 8.270 nan 0.000 0.385 69 Q N 1.495 121.336 119.800 0.068 0.000 2.630 69 Q HA 0.306 4.645 4.340 -0.001 0.000 0.295 69 Q C -1.317 174.843 176.000 0.266 0.000 0.944 69 Q CA -1.005 54.930 55.803 0.221 0.000 0.766 69 Q CB 0.824 29.668 28.738 0.176 0.000 1.471 69 Q HN 0.494 nan 8.270 nan 0.000 0.416 70 Y N 0.981 121.455 120.300 0.289 0.000 2.497 70 Y HA 0.397 4.947 4.550 -0.001 0.000 0.334 70 Y C -1.029 175.035 175.900 0.274 0.000 1.199 70 Y CA 0.184 58.477 58.100 0.322 0.000 1.425 70 Y CB 0.958 39.702 38.460 0.472 0.000 1.291 70 Y HN 0.419 nan 8.280 nan 0.000 0.562 71 V N 6.092 125.793 119.914 -0.354 0.000 2.495 71 V HA 0.133 4.253 4.120 -0.001 0.000 0.298 71 V C -0.749 175.234 176.094 -0.186 0.000 1.031 71 V CA -1.033 61.201 62.300 -0.109 0.000 0.871 71 V CB 1.620 33.392 31.823 -0.084 0.000 0.988 71 V HN 0.774 nan 8.190 nan 0.000 0.432 72 D N 3.577 124.112 120.400 0.224 0.000 2.338 72 D HA 0.140 4.780 4.640 -0.001 0.000 0.255 72 D C 0.431 176.882 176.300 0.251 0.000 1.237 72 D CA 0.219 54.451 54.000 0.388 0.000 0.883 72 D CB 0.717 41.804 40.800 0.478 0.000 1.087 72 D HN 0.657 nan 8.370 nan 0.000 0.485 73 E N 2.928 123.231 120.200 0.172 0.000 2.869 73 E HA -0.001 4.348 4.350 -0.001 0.000 0.207 73 E C 0.786 177.416 176.600 0.050 0.000 0.986 73 E CA -0.260 56.202 56.400 0.103 0.000 1.131 73 E CB 0.763 30.480 29.700 0.028 0.000 1.098 73 E HN 0.460 nan 8.360 nan 0.000 0.459 74 Q N -0.441 119.383 119.800 0.040 0.000 2.123 74 Q HA -0.007 4.333 4.340 -0.001 0.000 0.199 74 Q C -0.093 175.564 176.000 -0.572 0.000 0.966 74 Q CA 1.044 56.640 55.803 -0.345 0.000 0.845 74 Q CB 0.320 28.710 28.738 -0.579 0.000 0.907 74 Q HN 0.228 nan 8.270 nan 0.000 0.439 75 F N 1.653 121.674 119.950 0.119 0.000 2.531 75 F HA 0.344 4.871 4.527 -0.001 0.000 0.333 75 F C -2.059 173.822 175.800 0.135 0.000 1.292 75 F CA -2.685 55.354 58.000 0.065 0.000 1.184 75 F CB 0.981 39.989 39.000 0.013 0.000 1.426 75 F HN -0.105 nan 8.300 nan 0.000 0.559 76 P HA 0.011 nan 4.420 nan 0.000 0.263 76 P C 0.959 178.357 177.300 0.163 0.000 1.175 76 P CA 1.181 64.374 63.100 0.155 0.000 0.761 76 P CB 0.851 32.601 31.700 0.084 0.000 0.794 77 G N 2.002 110.879 108.800 0.128 0.000 2.168 77 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.257 77 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.257 77 G C -0.282 174.694 174.900 0.127 0.000 0.997 77 G CA -0.072 45.082 45.100 0.090 0.000 0.708 77 G HN 0.568 nan 8.290 nan 0.000 0.520 78 F N 2.233 122.177 119.950 -0.011 0.000 2.311 78 F HA 0.534 5.060 4.527 -0.000 0.000 0.371 78 F C 1.535 177.264 175.800 -0.120 0.000 1.083 78 F CA -0.517 57.422 58.000 -0.100 0.000 1.113 78 F CB 0.782 39.716 39.000 -0.109 0.000 1.349 78 F HN 0.240 nan 8.300 nan 0.000 0.470 79 S N 3.152 118.542 115.700 -0.517 0.000 2.392 79 S HA -0.219 4.251 4.470 -0.001 0.000 0.232 79 S C 2.289 176.540 174.600 -0.582 0.000 1.041 79 S CA 1.563 59.486 58.200 -0.463 0.000 1.026 79 S CB -1.319 61.625 63.200 -0.426 0.000 0.845 79 S HN 0.811 nan 8.310 nan 0.000 0.465 80 G N 1.659 109.688 108.800 -1.284 0.000 2.556 80 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.220 80 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.220 80 G C 1.815 176.778 174.900 0.105 0.000 1.156 80 G CA 1.909 46.347 45.100 -1.103 0.000 0.766 80 G HN 0.968 nan 8.290 nan 0.000 0.583 81 S N -0.315 115.585 115.700 0.332 0.000 2.475 81 S HA 0.130 4.600 4.470 -0.001 0.000 0.224 81 S C 1.851 176.776 174.600 0.541 0.000 1.042 81 S CA 0.902 59.642 58.200 0.900 0.000 0.935 81 S CB -0.049 63.847 63.200 1.161 0.000 0.801 81 S HN 0.509 nan 8.310 nan 0.000 0.509 82 E N 1.873 122.225 120.200 0.253 0.000 2.418 82 E HA -0.016 4.334 4.350 -0.001 0.000 0.197 82 E C 1.905 178.490 176.600 -0.025 0.000 1.026 82 E CA 0.987 57.462 56.400 0.125 0.000 0.862 82 E CB -0.437 29.299 29.700 0.060 0.000 0.799 82 E HN 0.853 nan 8.360 nan 0.000 0.518 83 M N -1.932 117.567 119.600 -0.167 0.000 2.557 83 M HA -0.030 4.450 4.480 -0.001 0.000 0.259 83 M C 0.954 176.920 176.300 -0.557 0.000 1.086 83 M CA 1.286 56.326 55.300 -0.433 0.000 1.096 83 M CB -0.283 31.938 32.600 -0.631 0.000 1.424 83 M HN 0.034 nan 8.290 nan 0.000 0.488 84 W N 0.894 122.176 121.300 -0.030 0.000 3.013 84 W HA 0.282 4.941 4.660 -0.001 0.000 0.280 84 W C 0.550 177.020 176.519 -0.081 0.000 1.249 84 W CA -0.844 56.451 57.345 -0.084 0.000 1.577 84 W CB -0.143 29.293 29.460 -0.040 0.000 1.057 84 W HN 0.080 nan 8.180 nan 0.000 0.613 85 N N 1.941 120.724 118.700 0.138 0.000 2.381 85 N HA 0.049 4.788 4.740 -0.001 0.000 0.241 85 N C -2.403 173.098 175.510 -0.014 0.000 1.279 85 N CA -0.676 52.422 53.050 0.079 0.000 0.896 85 N CB -0.317 38.216 38.487 0.077 0.000 1.118 85 N HN -0.312 nan 8.380 nan 0.000 0.438 86 P HA 0.065 nan 4.420 nan 0.000 0.268 86 P C -0.103 177.148 177.300 -0.080 0.000 1.205 86 P CA 0.130 63.185 63.100 -0.075 0.000 0.771 86 P CB 0.195 31.857 31.700 -0.062 0.000 0.858 87 N N 1.211 119.843 118.700 -0.112 0.000 2.338 87 N HA 0.192 4.931 4.740 -0.001 0.000 0.251 87 N C 0.098 175.553 175.510 -0.093 0.000 1.199 87 N CA -0.682 52.305 53.050 -0.105 0.000 0.879 87 N CB 0.492 38.899 38.487 -0.135 0.000 1.159 87 N HN 0.082 nan 8.380 nan 0.000 0.514 88 R N 0.561 121.009 120.500 -0.087 0.000 2.795 88 R HA 0.277 4.617 4.340 -0.001 0.000 0.268 88 R C -0.951 175.307 176.300 -0.069 0.000 1.041 88 R CA -0.639 55.417 56.100 -0.074 0.000 0.927 88 R CB 0.948 31.198 30.300 -0.083 0.000 1.235 88 R HN 0.260 nan 8.270 nan 0.000 0.463 89 E N 1.886 122.046 120.200 -0.066 0.000 2.351 89 E HA 0.111 4.461 4.350 -0.001 0.000 0.266 89 E C 0.113 176.669 176.600 -0.073 0.000 1.031 89 E CA 0.187 56.548 56.400 -0.064 0.000 0.911 89 E CB 0.587 30.250 29.700 -0.062 0.000 0.986 89 E HN 0.179 nan 8.360 nan 0.000 0.446 90 M N 2.072 121.630 119.600 -0.070 0.000 2.252 90 M HA 0.057 4.537 4.480 -0.001 0.000 0.333 90 M C 0.322 176.564 176.300 -0.097 0.000 1.111 90 M CA 0.857 56.106 55.300 -0.085 0.000 1.140 90 M CB 0.728 33.281 32.600 -0.079 0.000 1.538 90 M HN 0.425 nan 8.290 nan 0.000 0.448 91 S N 0.425 116.052 115.700 -0.122 0.000 2.580 91 S HA 0.172 4.642 4.470 -0.001 0.000 0.281 91 S C 0.129 174.628 174.600 -0.167 0.000 1.129 91 S CA -0.752 57.374 58.200 -0.125 0.000 0.862 91 S CB 1.311 64.465 63.200 -0.078 0.000 1.090 91 S HN 0.812 nan 8.310 nan 0.000 0.451 92 E N 1.073 121.157 120.200 -0.194 0.000 2.204 92 E HA -0.097 4.252 4.350 -0.001 0.000 0.194 92 E C -0.100 176.424 176.600 -0.126 0.000 0.989 92 E CA 0.624 56.884 56.400 -0.233 0.000 0.824 92 E CB 0.039 29.611 29.700 -0.214 0.000 0.756 92 E HN 0.567 nan 8.360 nan 0.000 0.477 93 D N 0.752 121.118 120.400 -0.056 0.000 2.453 93 D HA -0.001 4.639 4.640 -0.001 0.000 0.223 93 D C 0.057 176.447 176.300 0.150 0.000 1.183 93 D CA -0.204 53.816 54.000 0.034 0.000 0.933 93 D CB 0.022 40.869 40.800 0.078 0.000 1.038 93 D HN 0.129 nan 8.370 nan 0.000 0.513 94 c N 2.575 121.243 118.600 0.113 0.000 3.626 94 c HA 0.393 4.963 4.570 -0.001 0.000 0.276 94 c C 0.679 174.883 174.090 0.191 0.000 1.694 94 c CA -0.662 55.791 56.329 0.205 0.000 1.785 94 c CB -1.366 41.173 42.510 0.048 0.000 3.152 94 c HN 0.433 nan 8.230 nan 0.000 0.571 95 L N 2.557 123.688 121.223 -0.154 0.000 2.384 95 L HA 0.403 4.742 4.340 -0.001 0.000 0.258 95 L C -0.714 175.553 176.870 -1.005 0.000 1.266 95 L CA 0.410 54.917 54.840 -0.555 0.000 1.162 95 L CB -0.673 40.946 42.059 -0.732 0.000 1.375 95 L HN 0.383 nan 8.230 nan 0.000 0.420 96 Y N 1.686 121.813 120.300 -0.288 0.000 2.633 96 Y HA 0.742 5.292 4.550 -0.000 0.000 0.339 96 Y C -0.134 175.867 175.900 0.169 0.000 1.045 96 Y CA -1.349 56.658 58.100 -0.154 0.000 1.098 96 Y CB 1.817 40.234 38.460 -0.071 0.000 1.296 96 Y HN 0.139 nan 8.280 nan 0.000 0.494 97 L N -0.412 120.990 121.223 0.299 0.000 2.415 97 L HA 0.720 5.060 4.340 -0.001 0.000 0.256 97 L C -1.588 175.377 176.870 0.158 0.000 1.010 97 L CA -1.224 53.774 54.840 0.263 0.000 0.826 97 L CB 1.975 44.144 42.059 0.183 0.000 1.405 97 L HN 0.485 nan 8.230 nan 0.000 0.410 98 N N 2.304 121.129 118.700 0.209 0.000 2.314 98 N HA 0.691 5.430 4.740 -0.001 0.000 0.304 98 N C -1.247 174.309 175.510 0.076 0.000 1.073 98 N CA -0.387 52.706 53.050 0.072 0.000 0.822 98 N CB 2.588 41.159 38.487 0.140 0.000 1.280 98 N HN 0.533 nan 8.380 nan 0.000 0.489 99 I N 0.419 120.909 120.570 -0.133 0.000 2.608 99 I HA 0.430 4.599 4.170 -0.001 0.000 0.295 99 I C -0.576 175.517 176.117 -0.041 0.000 1.049 99 I CA -0.494 60.799 61.300 -0.012 0.000 1.063 99 I CB 2.061 39.889 38.000 -0.288 0.000 1.248 99 I HN 0.384 nan 8.210 nan 0.000 0.424 100 W N 5.175 126.593 121.300 0.198 0.000 2.554 100 W HA 0.585 5.245 4.660 -0.001 0.000 0.324 100 W C -1.170 175.482 176.519 0.222 0.000 1.018 100 W CA -0.573 56.907 57.345 0.224 0.000 1.243 100 W CB 2.391 31.963 29.460 0.186 0.000 1.345 100 W HN 0.100 nan 8.180 nan 0.000 0.441 101 V N 4.849 125.025 119.914 0.436 0.000 2.540 101 V HA 0.354 4.473 4.120 -0.001 0.000 0.302 101 V C -2.072 174.217 176.094 0.326 0.000 1.035 101 V CA -2.379 60.136 62.300 0.359 0.000 0.873 101 V CB 1.972 34.024 31.823 0.382 0.000 0.992 101 V HN 0.251 nan 8.190 nan 0.000 0.428 102 P HA 0.221 nan 4.420 nan 0.000 0.273 102 P C -0.642 176.785 177.300 0.210 0.000 1.250 102 P CA -0.075 63.161 63.100 0.228 0.000 0.793 102 P CB 0.572 32.365 31.700 0.156 0.000 1.011 103 S N 0.107 115.925 115.700 0.197 0.000 2.614 103 S HA 0.593 5.062 4.470 -0.001 0.000 0.288 103 S C -2.604 172.076 174.600 0.134 0.000 1.137 103 S CA -1.346 56.953 58.200 0.165 0.000 0.992 103 S CB -0.183 63.120 63.200 0.171 0.000 1.026 103 S HN 0.181 nan 8.310 nan 0.000 0.486 104 P HA 0.243 nan 4.420 nan 0.000 0.270 104 P C -0.680 176.685 177.300 0.109 0.000 1.223 104 P CA -0.511 62.647 63.100 0.097 0.000 0.785 104 P CB 0.358 32.102 31.700 0.072 0.000 0.923 105 R N 3.074 123.645 120.500 0.118 0.000 2.446 105 R HA 0.092 4.432 4.340 -0.001 0.000 0.314 105 R C -1.786 174.571 176.300 0.095 0.000 1.003 105 R CA -1.025 55.153 56.100 0.129 0.000 1.018 105 R CB -0.168 30.215 30.300 0.139 0.000 0.945 105 R HN 0.418 nan 8.270 nan 0.000 0.419 106 P HA 0.225 nan 4.420 nan 0.000 0.289 106 P C -1.215 176.118 177.300 0.055 0.000 1.299 106 P CA -0.437 62.702 63.100 0.064 0.000 0.766 106 P CB 0.766 32.502 31.700 0.060 0.000 1.226 107 K N -1.435 118.987 120.400 0.036 0.000 2.435 107 K HA 0.416 4.735 4.320 -0.001 0.000 0.251 107 K C -0.472 176.135 176.600 0.011 0.000 0.954 107 K CA -0.659 55.641 56.287 0.021 0.000 0.820 107 K CB 0.784 33.291 32.500 0.011 0.000 1.292 107 K HN 0.389 nan 8.250 nan 0.000 0.436 108 S N 0.919 116.617 115.700 -0.003 0.000 3.317 108 S HA -0.180 4.290 4.470 -0.001 0.000 0.358 108 S C -0.251 174.348 174.600 -0.000 0.000 0.945 108 S CA 1.334 59.527 58.200 -0.012 0.000 1.279 108 S CB -1.411 61.776 63.200 -0.022 0.000 0.905 108 S HN 0.663 nan 8.310 nan 0.000 0.507 109 T N 0.973 115.536 114.554 0.015 0.000 2.952 109 T HA 0.504 4.853 4.350 -0.001 0.000 0.286 109 T C 0.407 175.120 174.700 0.021 0.000 1.024 109 T CA -0.343 61.769 62.100 0.019 0.000 1.029 109 T CB 0.995 69.884 68.868 0.036 0.000 1.094 109 T HN 0.260 nan 8.240 nan 0.000 0.515 110 T N 2.722 117.283 114.554 0.011 0.000 2.908 110 T HA 0.300 4.650 4.350 -0.001 0.000 0.301 110 T C -0.085 174.636 174.700 0.035 0.000 1.019 110 T CA -0.239 61.866 62.100 0.008 0.000 1.152 110 T CB 0.213 69.072 68.868 -0.016 0.000 0.966 110 T HN 0.432 nan 8.240 nan 0.000 0.540 111 V N 4.968 124.910 119.914 0.047 0.000 2.630 111 V HA 0.548 4.668 4.120 -0.001 0.000 0.305 111 V C 0.069 176.213 176.094 0.083 0.000 1.046 111 V CA -0.768 61.581 62.300 0.083 0.000 0.934 111 V CB 1.751 33.631 31.823 0.095 0.000 1.003 111 V HN 0.848 nan 8.190 nan 0.000 0.451 112 M N 3.978 123.652 119.600 0.124 0.000 2.124 112 M HA 0.450 4.930 4.480 -0.001 0.000 0.280 112 M C -1.420 175.106 176.300 0.377 0.000 0.954 112 M CA -0.429 54.946 55.300 0.125 0.000 0.958 112 M CB 2.116 34.646 32.600 -0.116 0.000 1.611 112 M HN 0.361 nan 8.290 nan 0.000 0.449 113 V N 3.477 123.650 119.914 0.431 0.000 2.370 113 V HA 0.325 4.444 4.120 -0.001 0.000 0.279 113 V C -0.597 175.844 176.094 0.580 0.000 1.029 113 V CA -0.518 62.049 62.300 0.446 0.000 0.870 113 V CB 1.234 33.188 31.823 0.217 0.000 0.984 113 V HN 0.840 nan 8.190 nan 0.000 0.451 114 W N 7.024 128.488 121.300 0.274 0.000 2.351 114 W HA 0.610 5.269 4.660 -0.001 0.000 0.311 114 W C -1.260 175.156 176.519 -0.172 0.000 1.168 114 W CA -0.818 56.396 57.345 -0.219 0.000 1.200 114 W CB 1.196 30.543 29.460 -0.188 0.000 1.221 114 W HN 0.438 nan 8.180 nan 0.000 0.519 115 I N 9.182 129.101 120.570 -1.086 0.000 2.382 115 I HA 0.073 4.242 4.170 -0.001 0.000 0.285 115 I C -0.229 175.087 176.117 -1.335 0.000 1.007 115 I CA -1.130 59.628 61.300 -0.903 0.000 1.142 115 I CB 0.576 38.234 38.000 -0.570 0.000 1.289 115 I HN 0.302 nan 8.210 nan 0.000 0.453 116 Y N 4.609 124.429 120.300 -0.802 0.000 2.426 116 Y HA 0.677 5.227 4.550 -0.000 0.000 0.344 116 Y C 0.727 176.467 175.900 -0.267 0.000 1.256 116 Y CA -0.796 56.967 58.100 -0.561 0.000 1.451 116 Y CB -0.064 38.317 38.460 -0.132 0.000 1.342 116 Y HN 0.533 nan 8.280 nan 0.000 0.600 117 G N -0.922 107.935 108.800 0.094 0.000 2.890 117 G HA2 0.501 4.461 3.960 -0.001 0.000 0.189 117 G HA3 0.501 4.461 3.960 -0.001 0.000 0.189 117 G C 0.227 175.086 174.900 -0.069 0.000 1.342 117 G CA -0.960 44.114 45.100 -0.043 0.000 1.026 117 G HN 1.721 nan 8.290 nan 0.000 0.579 118 G N -2.600 105.999 108.800 -0.336 0.000 2.188 118 G HA2 0.400 4.360 3.960 -0.001 0.000 0.112 118 G HA3 0.400 4.360 3.960 -0.001 0.000 0.112 118 G C 1.105 175.468 174.900 -0.895 0.000 1.048 118 G CA 0.721 45.468 45.100 -0.589 0.000 0.720 118 G HN 2.327 nan 8.290 nan 0.000 0.487 119 G N -0.668 107.652 108.800 -0.799 0.000 2.212 119 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.267 119 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.267 119 G C 0.952 175.666 174.900 -0.310 0.000 1.002 119 G CA 0.981 45.496 45.100 -0.975 0.000 0.729 119 G HN 1.810 nan 8.290 nan 0.000 0.517 120 F N -3.591 116.308 119.950 -0.085 0.000 2.748 120 F HA -0.310 4.217 4.527 -0.001 0.000 0.370 120 F C 1.489 177.450 175.800 0.267 0.000 0.620 120 F CA 2.151 60.255 58.000 0.174 0.000 1.233 120 F CB -2.023 36.969 39.000 -0.012 0.000 1.708 120 F HN 0.880 nan 8.300 nan 0.000 0.298 121 Y N -0.789 119.611 120.300 0.167 0.000 2.444 121 Y HA 0.643 5.193 4.550 -0.000 0.000 0.252 121 Y C 0.668 176.651 175.900 0.137 0.000 1.091 121 Y CA 0.284 58.473 58.100 0.147 0.000 1.276 121 Y CB -0.014 38.422 38.460 -0.040 0.000 1.170 121 Y HN 0.076 nan 8.280 nan 0.000 0.517 122 S N -0.545 114.861 115.700 -0.490 0.000 2.607 122 S HA 0.938 5.407 4.470 -0.001 0.000 0.273 122 S C -0.304 174.113 174.600 -0.306 0.000 1.148 122 S CA -0.373 57.629 58.200 -0.331 0.000 0.833 122 S CB 1.833 64.749 63.200 -0.473 0.000 1.130 122 S HN 1.154 nan 8.310 nan 0.000 0.470 123 G N -0.228 108.378 108.800 -0.323 0.000 2.339 123 G HA2 0.506 4.465 3.960 -0.001 0.000 0.302 123 G HA3 0.506 4.465 3.960 -0.001 0.000 0.302 123 G C -1.478 172.875 174.900 -0.912 0.000 1.425 123 G CA -0.396 44.297 45.100 -0.680 0.000 0.899 123 G HN 1.336 nan 8.290 nan 0.000 0.619 124 S N -1.241 113.703 115.700 -1.260 0.000 2.570 124 S HA 0.512 4.982 4.470 -0.001 0.000 0.286 124 S C 0.552 174.999 174.600 -0.255 0.000 1.143 124 S CA 0.113 57.930 58.200 -0.638 0.000 0.921 124 S CB 1.480 64.513 63.200 -0.279 0.000 1.108 124 S HN 1.882 nan 8.310 nan 0.000 0.456 125 S N -0.130 115.641 115.700 0.119 0.000 2.593 125 S HA 0.027 4.496 4.470 -0.001 0.000 0.217 125 S C 1.111 175.851 174.600 0.232 0.000 0.966 125 S CA 0.615 59.081 58.200 0.443 0.000 0.914 125 S CB -0.521 62.992 63.200 0.520 0.000 0.776 125 S HN 0.860 nan 8.310 nan 0.000 0.523 126 T N -0.327 114.177 114.554 -0.083 0.000 3.182 126 T HA 0.449 4.799 4.350 -0.001 0.000 0.277 126 T C 0.292 174.718 174.700 -0.457 0.000 1.013 126 T CA -0.623 61.130 62.100 -0.580 0.000 0.900 126 T CB -0.440 67.921 68.868 -0.845 0.000 1.098 126 T HN 0.291 nan 8.240 nan 0.000 0.543 127 L N 1.586 122.644 121.223 -0.275 0.000 2.467 127 L HA 0.277 4.617 4.340 -0.001 0.000 0.270 127 L C 1.245 177.868 176.870 -0.412 0.000 1.205 127 L CA -0.577 54.010 54.840 -0.421 0.000 0.828 127 L CB 0.381 42.025 42.059 -0.692 0.000 1.101 127 L HN 0.060 nan 8.230 nan 0.000 0.479 128 D N 0.867 121.046 120.400 -0.369 0.000 2.149 128 D HA -0.159 4.481 4.640 -0.001 0.000 0.198 128 D C 1.866 177.960 176.300 -0.343 0.000 0.990 128 D CA 0.957 54.802 54.000 -0.258 0.000 0.839 128 D CB 0.060 40.722 40.800 -0.229 0.000 0.948 128 D HN 0.326 nan 8.370 nan 0.000 0.460 129 V N -0.015 119.545 119.914 -0.591 0.000 3.305 129 V HA -0.172 3.948 4.120 -0.001 0.000 0.269 129 V C 0.218 175.823 176.094 -0.815 0.000 1.157 129 V CA 1.037 62.940 62.300 -0.662 0.000 1.157 129 V CB -0.498 30.847 31.823 -0.796 0.000 0.772 129 V HN 0.186 nan 8.190 nan 0.000 0.498 130 Y N -0.742 119.129 120.300 -0.716 0.000 2.681 130 Y HA 0.418 4.968 4.550 -0.000 0.000 0.267 130 Y C 0.889 176.383 175.900 -0.675 0.000 1.166 130 Y CA -1.517 55.870 58.100 -1.188 0.000 1.209 130 Y CB -0.728 37.283 38.460 -0.748 0.000 1.161 130 Y HN 0.155 nan 8.280 nan 0.000 0.534 131 N N 1.395 119.940 118.700 -0.258 0.000 2.427 131 N HA -0.006 4.734 4.740 -0.001 0.000 0.269 131 N C 1.342 176.587 175.510 -0.442 0.000 1.235 131 N CA 0.605 53.526 53.050 -0.215 0.000 0.934 131 N CB 1.334 39.834 38.487 0.021 0.000 1.121 131 N HN 0.570 nan 8.380 nan 0.000 0.480 132 G N 3.709 111.718 108.800 -1.319 0.000 2.534 132 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.217 132 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.217 132 G C 1.525 175.898 174.900 -0.879 0.000 1.128 132 G CA 0.674 45.179 45.100 -0.991 0.000 0.784 132 G HN 0.764 nan 8.290 nan 0.000 0.542 133 K N -0.338 119.301 120.400 -1.269 0.000 2.059 133 K HA -0.270 4.050 4.320 -0.001 0.000 0.212 133 K C 1.952 178.394 176.600 -0.264 0.000 1.050 133 K CA 1.737 57.726 56.287 -0.496 0.000 0.927 133 K CB -0.732 31.571 32.500 -0.327 0.000 0.714 133 K HN 0.337 nan 8.250 nan 0.000 0.447 134 Y N 1.135 121.383 120.300 -0.086 0.000 2.089 134 Y HA -0.196 4.354 4.550 -0.000 0.000 0.282 134 Y C 2.542 178.466 175.900 0.040 0.000 1.139 134 Y CA 1.198 59.298 58.100 -0.000 0.000 1.123 134 Y CB -0.939 37.496 38.460 -0.041 0.000 0.980 134 Y HN 0.024 nan 8.280 nan 0.000 0.493 135 L N 0.288 121.592 121.223 0.135 0.000 1.990 135 L HA -0.244 4.096 4.340 -0.001 0.000 0.213 135 L C 2.450 179.359 176.870 0.066 0.000 1.072 135 L CA 2.069 56.930 54.840 0.035 0.000 0.755 135 L CB -1.356 40.645 42.059 -0.098 0.000 0.889 135 L HN 0.222 nan 8.230 nan 0.000 0.432 136 A N -1.309 121.559 122.820 0.080 0.000 1.869 136 A HA -0.364 3.956 4.320 -0.001 0.000 0.218 136 A C 2.330 180.009 177.584 0.158 0.000 1.203 136 A CA 2.343 54.467 52.037 0.145 0.000 0.638 136 A CB -1.507 17.636 19.000 0.238 0.000 0.831 136 A HN 0.654 nan 8.150 nan 0.000 0.450 137 Y N 1.126 121.466 120.300 0.067 0.000 2.070 137 Y HA -0.235 4.314 4.550 -0.000 0.000 0.280 137 Y C 2.775 178.713 175.900 0.064 0.000 1.148 137 Y CA 2.642 60.782 58.100 0.067 0.000 1.125 137 Y CB -0.867 37.618 38.460 0.042 0.000 0.975 137 Y HN 0.329 nan 8.280 nan 0.000 0.492 138 T N 0.211 114.813 114.554 0.080 0.000 2.788 138 T HA -0.140 4.210 4.350 -0.001 0.000 0.268 138 T C 1.308 175.982 174.700 -0.043 0.000 1.044 138 T CA 1.738 63.831 62.100 -0.010 0.000 1.139 138 T CB -0.114 68.820 68.868 0.109 0.000 0.867 138 T HN 0.344 nan 8.240 nan 0.000 0.454 139 E N 0.378 120.578 120.200 0.001 0.000 2.498 139 E HA 0.133 4.482 4.350 -0.001 0.000 0.203 139 E C -0.115 176.483 176.600 -0.005 0.000 1.013 139 E CA 0.003 56.413 56.400 0.016 0.000 0.927 139 E CB 0.252 29.968 29.700 0.028 0.000 1.012 139 E HN 0.581 nan 8.360 nan 0.000 0.482 140 E N 0.287 120.477 120.200 -0.018 0.000 2.302 140 E HA -0.156 4.193 4.350 -0.001 0.000 0.186 140 E C -0.437 176.183 176.600 0.034 0.000 1.444 140 E CA 0.446 56.848 56.400 0.003 0.000 0.671 140 E CB -1.608 28.081 29.700 -0.019 0.000 1.122 140 E HN 0.124 nan 8.360 nan 0.000 0.366 141 V N -3.086 116.865 119.914 0.061 0.000 3.049 141 V HA 0.624 4.744 4.120 -0.001 0.000 0.309 141 V C 0.087 176.256 176.094 0.125 0.000 1.148 141 V CA -1.159 61.183 62.300 0.069 0.000 0.990 141 V CB 2.406 34.251 31.823 0.036 0.000 1.039 141 V HN -0.015 nan 8.190 nan 0.000 0.430 142 V N 4.904 124.898 119.914 0.133 0.000 2.356 142 V HA 0.247 4.367 4.120 -0.001 0.000 0.258 142 V C 0.219 176.442 176.094 0.216 0.000 1.065 142 V CA -0.228 62.182 62.300 0.184 0.000 0.935 142 V CB 0.776 32.690 31.823 0.151 0.000 1.061 142 V HN 0.763 nan 8.190 nan 0.000 0.484 143 L N 7.542 128.942 121.223 0.296 0.000 2.290 143 L HA 0.521 4.861 4.340 -0.001 0.000 0.284 143 L C -0.354 176.812 176.870 0.494 0.000 1.078 143 L CA 0.453 55.508 54.840 0.358 0.000 0.815 143 L CB 1.600 43.843 42.059 0.308 0.000 1.162 143 L HN 0.358 nan 8.230 nan 0.000 0.435 144 V N 4.224 124.417 119.914 0.466 0.000 2.540 144 V HA 0.477 4.596 4.120 -0.001 0.000 0.302 144 V C 0.017 176.424 176.094 0.521 0.000 1.035 144 V CA -0.647 61.920 62.300 0.445 0.000 0.873 144 V CB 1.978 33.974 31.823 0.289 0.000 0.992 144 V HN 0.898 nan 8.190 nan 0.000 0.428 145 S N 5.356 121.390 115.700 0.557 0.000 2.640 145 S HA 0.750 5.219 4.470 -0.001 0.000 0.320 145 S C -0.653 174.190 174.600 0.404 0.000 1.097 145 S CA -0.736 57.797 58.200 0.555 0.000 1.092 145 S CB 1.174 64.783 63.200 0.681 0.000 0.988 145 S HN 0.718 nan 8.310 nan 0.000 0.470 146 L N 1.773 123.159 121.223 0.272 0.000 2.642 146 L HA 0.978 5.317 4.340 -0.001 0.000 0.229 146 L C 0.122 177.153 176.870 0.268 0.000 1.179 146 L CA -0.487 54.478 54.840 0.209 0.000 0.834 146 L CB -0.181 41.895 42.059 0.029 0.000 1.515 146 L HN 0.880 nan 8.230 nan 0.000 0.512 147 S N -1.666 114.234 115.700 0.334 0.000 2.550 147 S HA 0.814 5.284 4.470 -0.001 0.000 0.270 147 S C -1.312 173.516 174.600 0.381 0.000 1.145 147 S CA -0.580 57.813 58.200 0.322 0.000 0.852 147 S CB 1.227 64.664 63.200 0.395 0.000 1.119 147 S HN 1.175 nan 8.310 nan 0.000 0.465 148 Y N -1.061 119.331 120.300 0.154 0.000 2.597 148 Y HA 0.736 5.286 4.550 -0.000 0.000 0.340 148 Y C -0.489 175.508 175.900 0.161 0.000 1.097 148 Y CA -1.454 56.731 58.100 0.141 0.000 1.037 148 Y CB 0.732 39.241 38.460 0.082 0.000 1.305 148 Y HN 0.788 nan 8.280 nan 0.000 0.463 149 R N 1.478 122.078 120.500 0.166 0.000 2.590 149 R HA 0.538 4.877 4.340 -0.001 0.000 0.274 149 R C -0.356 176.016 176.300 0.120 0.000 1.061 149 R CA -0.207 55.932 56.100 0.066 0.000 1.081 149 R CB 0.934 31.243 30.300 0.014 0.000 0.984 149 R HN 0.715 nan 8.270 nan 0.000 0.448 150 V N -0.618 119.406 119.914 0.183 0.000 3.155 150 V HA 0.912 5.032 4.120 -0.001 0.000 0.313 150 V C 0.546 176.906 176.094 0.443 0.000 1.162 150 V CA -0.108 62.423 62.300 0.385 0.000 1.048 150 V CB 1.284 33.286 31.823 0.298 0.000 1.092 150 V HN 0.989 nan 8.190 nan 0.000 0.447 151 G N 0.583 109.721 108.800 0.564 0.000 2.645 151 G HA2 0.096 4.056 3.960 -0.001 0.000 0.246 151 G HA3 0.096 4.056 3.960 -0.001 0.000 0.246 151 G C 0.960 176.075 174.900 0.358 0.000 1.322 151 G CA 0.808 46.220 45.100 0.520 0.000 0.898 151 G HN 2.262 nan 8.290 nan 0.000 0.573 152 A N -1.234 121.573 122.820 -0.021 0.000 1.917 152 A HA 0.107 4.426 4.320 -0.001 0.000 0.219 152 A C 2.229 179.723 177.584 -0.150 0.000 1.182 152 A CA 2.742 54.386 52.037 -0.655 0.000 0.633 152 A CB -0.603 17.834 19.000 -0.939 0.000 0.819 152 A HN 1.127 nan 8.150 nan 0.000 0.448 153 F N -0.144 119.866 119.950 0.100 0.000 2.287 153 F HA -0.035 4.491 4.527 -0.001 0.000 0.301 153 F C 2.262 178.029 175.800 -0.054 0.000 1.069 153 F CA 1.139 59.122 58.000 -0.028 0.000 1.372 153 F CB -0.436 38.508 39.000 -0.094 0.000 1.056 153 F HN 0.310 nan 8.300 nan 0.000 0.523 154 G N -3.037 105.788 108.800 0.042 0.000 3.104 154 G HA2 0.157 4.116 3.960 -0.001 0.000 0.237 154 G HA3 0.157 4.116 3.960 -0.001 0.000 0.237 154 G C 0.613 175.008 174.900 -0.842 0.000 1.035 154 G CA 0.041 44.916 45.100 -0.375 0.000 0.844 154 G HN 0.290 nan 8.290 nan 0.000 0.531 155 F N -0.479 119.561 119.950 0.149 0.000 2.974 155 F HA 0.406 4.932 4.527 -0.001 0.000 0.357 155 F C 0.364 176.192 175.800 0.047 0.000 1.114 155 F CA -1.165 56.891 58.000 0.093 0.000 1.099 155 F CB 0.272 39.344 39.000 0.119 0.000 1.205 155 F HN -0.049 nan 8.300 nan 0.000 0.535 156 L N 2.474 123.687 121.223 -0.016 0.000 2.640 156 L HA 0.344 4.684 4.340 -0.001 0.000 0.280 156 L C 0.170 176.987 176.870 -0.088 0.000 1.229 156 L CA 0.108 54.786 54.840 -0.271 0.000 0.919 156 L CB 0.033 41.660 42.059 -0.720 0.000 1.168 156 L HN 0.191 nan 8.230 nan 0.000 0.496 157 A N 7.104 129.924 122.820 -0.000 0.000 2.409 157 A HA 0.557 4.877 4.320 -0.001 0.000 0.300 157 A C -0.600 176.996 177.584 0.020 0.000 1.273 157 A CA -0.481 51.574 52.037 0.030 0.000 0.774 157 A CB 0.286 19.338 19.000 0.088 0.000 1.144 157 A HN 0.718 nan 8.150 nan 0.000 0.472 158 L N 3.409 124.626 121.223 -0.010 0.000 2.589 158 L HA 0.214 4.554 4.340 -0.001 0.000 0.244 158 L C 0.277 177.173 176.870 0.044 0.000 1.159 158 L CA -0.775 54.065 54.840 -0.000 0.000 1.074 158 L CB -0.135 41.890 42.059 -0.057 0.000 1.391 158 L HN 0.874 nan 8.230 nan 0.000 0.423 159 H N 1.400 120.467 119.070 -0.006 0.000 3.167 159 H HA 0.180 4.735 4.556 -0.001 0.000 0.306 159 H C 1.116 176.447 175.328 0.006 0.000 0.965 159 H CA 1.637 57.690 56.048 0.008 0.000 1.408 159 H CB 0.641 30.413 29.762 0.016 0.000 1.406 159 H HN 0.661 nan 8.280 nan 0.000 0.576 160 G N 2.585 111.120 108.800 -0.442 0.000 2.481 160 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.200 160 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.200 160 G C 0.485 175.289 174.900 -0.160 0.000 1.012 160 G CA 0.126 45.046 45.100 -0.301 0.000 0.676 160 G HN 0.883 nan 8.290 nan 0.000 0.488 161 S N -0.449 115.188 115.700 -0.104 0.000 2.645 161 S HA 0.602 5.072 4.470 -0.001 0.000 0.266 161 S C 0.907 175.481 174.600 -0.043 0.000 1.258 161 S CA 0.483 58.650 58.200 -0.055 0.000 0.990 161 S CB 1.471 64.650 63.200 -0.036 0.000 0.967 161 S HN 0.192 nan 8.310 nan 0.000 0.556 162 Q N 0.027 119.818 119.800 -0.015 0.000 2.164 162 Q HA 0.287 4.627 4.340 -0.001 0.000 0.226 162 Q C 0.741 176.755 176.000 0.024 0.000 0.813 162 Q CA 0.092 55.896 55.803 0.003 0.000 0.978 162 Q CB 0.549 29.288 28.738 0.003 0.000 1.149 162 Q HN 0.676 nan 8.270 nan 0.000 0.489 163 E N -0.238 119.978 120.200 0.027 0.000 2.307 163 E HA 0.207 4.557 4.350 -0.001 0.000 0.195 163 E C 0.043 176.689 176.600 0.078 0.000 0.975 163 E CA 0.369 56.802 56.400 0.055 0.000 0.878 163 E CB 0.952 30.686 29.700 0.057 0.000 0.845 163 E HN 0.074 nan 8.360 nan 0.000 0.488 164 A N 1.950 124.789 122.820 0.033 0.000 3.453 164 A HA 0.277 4.596 4.320 -0.001 0.000 0.262 164 A C -2.000 175.584 177.584 -0.000 0.000 1.026 164 A CA -0.819 51.222 52.037 0.007 0.000 0.938 164 A CB 0.538 19.458 19.000 -0.134 0.000 1.246 164 A HN -0.115 nan 8.150 nan 0.000 0.546 165 P HA 0.104 nan 4.420 nan 0.000 0.221 165 P C 0.941 178.297 177.300 0.094 0.000 1.150 165 P CA 1.936 65.074 63.100 0.062 0.000 0.800 165 P CB 0.208 31.948 31.700 0.067 0.000 0.787 166 G N 0.232 109.075 108.800 0.072 0.000 2.661 166 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.685 166 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.685 166 G C -0.050 174.896 174.900 0.078 0.000 1.298 166 G CA -0.232 44.922 45.100 0.091 0.000 0.855 166 G HN 0.135 nan 8.290 nan 0.000 0.560 167 N N -2.364 116.413 118.700 0.129 0.000 2.815 167 N HA -0.306 4.434 4.740 -0.001 0.000 0.247 167 N C 2.051 177.522 175.510 -0.065 0.000 1.030 167 N CA 2.581 55.651 53.050 0.032 0.000 0.881 167 N CB -1.502 36.861 38.487 -0.206 0.000 1.134 167 N HN 1.925 nan 8.380 nan 0.000 0.582 168 V N -2.274 117.599 119.914 -0.068 0.000 2.568 168 V HA -0.074 4.046 4.120 -0.001 0.000 0.253 168 V C 2.319 178.340 176.094 -0.123 0.000 1.072 168 V CA 2.457 64.721 62.300 -0.060 0.000 1.084 168 V CB -1.014 30.794 31.823 -0.026 0.000 0.676 168 V HN 0.289 nan 8.190 nan 0.000 0.469 169 G N 0.522 109.082 108.800 -0.400 0.000 2.421 169 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.216 169 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.216 169 G C 1.551 176.452 174.900 0.002 0.000 1.171 169 G CA 1.148 46.024 45.100 -0.372 0.000 0.775 169 G HN 0.537 nan 8.290 nan 0.000 0.543 170 L N 0.028 121.271 121.223 0.033 0.000 2.191 170 L HA 0.025 4.365 4.340 -0.001 0.000 0.212 170 L C 2.791 179.736 176.870 0.126 0.000 1.103 170 L CA 0.283 55.099 54.840 -0.040 0.000 0.769 170 L CB -0.212 41.553 42.059 -0.491 0.000 0.908 170 L HN 0.206 nan 8.230 nan 0.000 0.438 171 L N -0.900 120.383 121.223 0.100 0.000 2.109 171 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 171 L C 2.137 179.116 176.870 0.180 0.000 1.086 171 L CA 0.794 55.743 54.840 0.182 0.000 0.760 171 L CB -0.515 41.625 42.059 0.135 0.000 0.910 171 L HN 0.240 nan 8.230 nan 0.000 0.437 172 D N 0.079 120.585 120.400 0.177 0.000 2.117 172 D HA -0.201 4.438 4.640 -0.001 0.000 0.197 172 D C 2.267 178.706 176.300 0.231 0.000 0.987 172 D CA 1.182 55.349 54.000 0.279 0.000 0.829 172 D CB -0.218 40.763 40.800 0.302 0.000 0.961 172 D HN 0.433 nan 8.370 nan 0.000 0.460 173 Q N 0.206 120.099 119.800 0.155 0.000 2.226 173 Q HA -0.128 4.212 4.340 -0.001 0.000 0.204 173 Q C 2.205 178.163 176.000 -0.071 0.000 0.975 173 Q CA 0.789 56.608 55.803 0.027 0.000 0.866 173 Q CB -0.008 28.762 28.738 0.053 0.000 0.915 173 Q HN 0.247 nan 8.270 nan 0.000 0.440 174 R N 1.143 121.672 120.500 0.047 0.000 2.056 174 R HA -0.081 4.259 4.340 -0.001 0.000 0.227 174 R C 2.311 178.594 176.300 -0.028 0.000 1.149 174 R CA 1.319 57.416 56.100 -0.005 0.000 0.937 174 R CB -0.263 30.118 30.300 0.136 0.000 0.835 174 R HN 0.228 nan 8.270 nan 0.000 0.430 175 M N 0.376 120.006 119.600 0.049 0.000 2.192 175 M HA -0.231 4.249 4.480 -0.001 0.000 0.259 175 M C 1.962 178.200 176.300 -0.104 0.000 1.071 175 M CA 2.176 57.526 55.300 0.083 0.000 1.082 175 M CB -0.079 32.670 32.600 0.249 0.000 1.373 175 M HN 0.402 nan 8.290 nan 0.000 0.408 176 A N 0.125 122.641 122.820 -0.507 0.000 1.872 176 A HA -0.077 4.242 4.320 -0.001 0.000 0.214 176 A C 1.930 179.353 177.584 -0.269 0.000 1.187 176 A CA 1.256 52.730 52.037 -0.940 0.000 0.614 176 A CB -0.843 17.440 19.000 -1.196 0.000 0.826 176 A HN 0.567 nan 8.150 nan 0.000 0.442 177 L N -0.723 120.388 121.223 -0.186 0.000 2.131 177 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 177 L C 2.801 179.686 176.870 0.024 0.000 1.092 177 L CA 1.576 56.370 54.840 -0.077 0.000 0.759 177 L CB -0.378 41.587 42.059 -0.157 0.000 0.903 177 L HN 0.508 nan 8.230 nan 0.000 0.435 178 Q N -0.267 119.554 119.800 0.036 0.000 1.990 178 Q HA -0.253 4.086 4.340 -0.001 0.000 0.200 178 Q C 2.010 178.125 176.000 0.192 0.000 0.980 178 Q CA 1.963 57.833 55.803 0.112 0.000 0.832 178 Q CB -0.623 28.182 28.738 0.110 0.000 0.897 178 Q HN 0.434 nan 8.270 nan 0.000 0.427 179 W N -0.250 121.055 121.300 0.008 0.000 2.318 179 W HA -0.243 4.417 4.660 -0.000 0.000 0.313 179 W C 1.902 178.455 176.519 0.056 0.000 1.221 179 W CA 2.065 59.438 57.345 0.046 0.000 1.266 179 W CB -0.330 29.154 29.460 0.041 0.000 1.150 179 W HN 0.067 nan 8.180 nan 0.000 0.496 180 V N 0.100 120.240 119.914 0.376 0.000 2.392 180 V HA -0.371 3.748 4.120 -0.001 0.000 0.249 180 V C 2.232 178.351 176.094 0.042 0.000 1.059 180 V CA 2.381 64.822 62.300 0.235 0.000 1.051 180 V CB -1.359 30.590 31.823 0.210 0.000 0.658 180 V HN 0.331 nan 8.190 nan 0.000 0.455 181 H N 1.737 120.783 119.070 -0.039 0.000 2.267 181 H HA -0.157 4.398 4.556 -0.001 0.000 0.297 181 H C 1.516 176.747 175.328 -0.163 0.000 1.080 181 H CA 2.130 58.133 56.048 -0.076 0.000 1.278 181 H CB -0.308 29.429 29.762 -0.042 0.000 1.365 181 H HN 0.479 nan 8.280 nan 0.000 0.489 182 D N -0.543 119.680 120.400 -0.295 0.000 2.352 182 D HA 0.028 4.667 4.640 -0.001 0.000 0.236 182 D C 0.419 176.450 176.300 -0.448 0.000 1.148 182 D CA 0.139 53.897 54.000 -0.403 0.000 0.844 182 D CB 0.195 40.843 40.800 -0.253 0.000 0.933 182 D HN 0.447 nan 8.370 nan 0.000 0.507 183 N N -0.275 118.112 118.700 -0.522 0.000 1.963 183 N HA -0.022 4.718 4.740 -0.001 0.000 0.244 183 N C 1.324 176.715 175.510 -0.197 0.000 1.288 183 N CA -0.270 52.496 53.050 -0.472 0.000 0.800 183 N CB 0.526 38.284 38.487 -1.215 0.000 1.293 183 N HN -0.036 nan 8.380 nan 0.000 0.483 184 I N 3.520 123.997 120.570 -0.156 0.000 2.657 184 I HA -0.226 3.944 4.170 -0.001 0.000 0.261 184 I C 2.477 178.613 176.117 0.031 0.000 1.212 184 I CA 1.427 62.759 61.300 0.053 0.000 1.453 184 I CB -0.214 37.806 38.000 0.033 0.000 1.092 184 I HN 0.246 nan 8.210 nan 0.000 0.452 185 Q N -0.801 118.851 119.800 -0.247 0.000 2.079 185 Q HA -0.217 4.123 4.340 -0.001 0.000 0.200 185 Q C 2.099 177.958 176.000 -0.235 0.000 0.974 185 Q CA 1.529 57.152 55.803 -0.299 0.000 0.840 185 Q CB -0.986 27.452 28.738 -0.500 0.000 0.898 185 Q HN 0.380 nan 8.270 nan 0.000 0.430 186 F N 0.578 120.473 119.950 -0.092 0.000 2.307 186 F HA -0.056 4.470 4.527 -0.001 0.000 0.301 186 F C 1.211 176.800 175.800 -0.352 0.000 1.076 186 F CA 0.678 58.526 58.000 -0.255 0.000 1.383 186 F CB -0.399 38.356 39.000 -0.407 0.000 1.055 186 F HN 0.012 nan 8.300 nan 0.000 0.526 187 F N -0.524 119.443 119.950 0.028 0.000 2.660 187 F HA 0.424 4.951 4.527 -0.000 0.000 0.302 187 F C 1.730 177.528 175.800 -0.002 0.000 1.103 187 F CA 0.285 58.259 58.000 -0.043 0.000 1.340 187 F CB -0.182 38.732 39.000 -0.144 0.000 1.048 187 F HN 0.043 nan 8.300 nan 0.000 0.551 188 G N 0.203 109.077 108.800 0.124 0.000 2.141 188 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.231 188 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.231 188 G C 0.560 175.504 174.900 0.073 0.000 0.984 188 G CA -0.274 44.877 45.100 0.086 0.000 0.660 188 G HN 0.740 nan 8.290 nan 0.000 0.525 189 G N -0.697 108.147 108.800 0.074 0.000 2.451 189 G HA2 0.513 4.472 3.960 -0.001 0.000 0.303 189 G HA3 0.513 4.472 3.960 -0.001 0.000 0.303 189 G C -0.901 173.995 174.900 -0.006 0.000 1.166 189 G CA 0.232 45.362 45.100 0.049 0.000 0.884 189 G HN 0.256 nan 8.290 nan 0.000 0.514 190 D N 0.924 121.325 120.400 0.000 0.000 2.460 190 D HA 0.296 4.936 4.640 -0.001 0.000 0.232 190 D C -1.249 175.048 176.300 -0.005 0.000 1.079 190 D CA -2.366 51.622 54.000 -0.021 0.000 0.864 190 D CB 1.896 42.687 40.800 -0.014 0.000 1.048 190 D HN 0.055 nan 8.370 nan 0.000 0.523 191 P HA -0.145 nan 4.420 nan 0.000 0.229 191 P C 0.506 177.854 177.300 0.079 0.000 1.150 191 P CA 0.762 63.886 63.100 0.041 0.000 0.765 191 P CB -0.007 31.677 31.700 -0.027 0.000 0.783 192 K N -1.280 119.136 120.400 0.027 0.000 2.372 192 K HA 0.193 4.513 4.320 -0.001 0.000 0.200 192 K C 0.060 176.659 176.600 -0.000 0.000 1.022 192 K CA 0.044 56.339 56.287 0.015 0.000 1.125 192 K CB -0.125 32.371 32.500 -0.007 0.000 0.855 192 K HN -0.191 nan 8.250 nan 0.000 0.524 193 T N 0.999 115.560 114.554 0.011 0.000 3.633 193 T HA 0.196 4.545 4.350 -0.001 0.000 0.278 193 T C -0.649 174.068 174.700 0.029 0.000 0.991 193 T CA -0.517 61.583 62.100 -0.001 0.000 1.036 193 T CB 0.682 69.538 68.868 -0.019 0.000 1.148 193 T HN -0.066 nan 8.240 nan 0.000 0.501 194 V N 2.272 122.227 119.914 0.070 0.000 2.498 194 V HA 0.428 4.548 4.120 -0.001 0.000 0.279 194 V C 0.397 176.591 176.094 0.167 0.000 1.048 194 V CA -0.043 62.328 62.300 0.118 0.000 0.967 194 V CB 1.263 33.175 31.823 0.148 0.000 0.988 194 V HN 0.419 nan 8.190 nan 0.000 0.473 195 T N 6.402 121.044 114.554 0.147 0.000 2.815 195 T HA 0.526 4.876 4.350 -0.001 0.000 0.289 195 T C -0.179 174.631 174.700 0.184 0.000 1.000 195 T CA -0.217 61.987 62.100 0.173 0.000 0.958 195 T CB 0.730 69.657 68.868 0.097 0.000 0.944 195 T HN 0.604 nan 8.240 nan 0.000 0.442 196 I N 1.942 122.583 120.570 0.119 0.000 2.365 196 I HA 0.796 4.965 4.170 -0.001 0.000 0.291 196 I C -0.836 175.422 176.117 0.234 0.000 1.004 196 I CA -0.811 60.535 61.300 0.078 0.000 1.311 196 I CB 0.470 38.280 38.000 -0.317 0.000 1.401 196 I HN 0.440 nan 8.210 nan 0.000 0.491 197 F N 3.740 123.705 119.950 0.025 0.000 2.569 197 F HA 0.984 5.511 4.527 -0.001 0.000 0.312 197 F C -0.437 175.306 175.800 -0.094 0.000 1.109 197 F CA -1.640 56.407 58.000 0.079 0.000 0.919 197 F CB 1.309 40.475 39.000 0.277 0.000 1.211 197 F HN 0.763 nan 8.300 nan 0.000 0.446 198 G N 2.076 110.664 108.800 -0.353 0.000 2.698 198 G HA2 0.486 4.446 3.960 -0.001 0.000 0.293 198 G HA3 0.486 4.446 3.960 -0.001 0.000 0.293 198 G C -2.397 172.252 174.900 -0.418 0.000 1.437 198 G CA -0.790 43.766 45.100 -0.907 0.000 0.852 198 G HN 0.828 nan 8.290 nan 0.000 0.499 199 E N 0.645 120.589 120.200 -0.427 0.000 2.212 199 E HA 0.634 4.984 4.350 -0.001 0.000 0.270 199 E C 0.869 177.420 176.600 -0.081 0.000 0.956 199 E CA 0.373 56.743 56.400 -0.049 0.000 0.825 199 E CB 1.970 31.786 29.700 0.194 0.000 1.167 199 E HN 0.816 nan 8.360 nan 0.000 0.400 200 S N 2.713 118.429 115.700 0.027 0.000 4.112 200 S HA -0.401 4.069 4.470 -0.001 0.000 0.602 200 S C 1.511 176.183 174.600 0.121 0.000 1.939 200 S CA 2.428 60.718 58.200 0.151 0.000 4.230 200 S CB -1.645 61.605 63.200 0.084 0.000 0.245 200 S HN 0.996 nan 8.310 nan 0.000 0.530 201 A N 1.044 123.824 122.820 -0.066 0.000 1.986 201 A HA 0.104 4.424 4.320 -0.001 0.000 0.220 201 A C 2.546 179.857 177.584 -0.455 0.000 1.171 201 A CA 2.572 54.337 52.037 -0.452 0.000 0.640 201 A CB -1.657 16.747 19.000 -0.992 0.000 0.811 201 A HN 1.650 nan 8.150 nan 0.000 0.451 202 G N -0.701 107.903 108.800 -0.327 0.000 2.408 202 G HA2 0.061 4.021 3.960 -0.001 0.000 0.217 202 G HA3 0.061 4.021 3.960 -0.001 0.000 0.217 202 G C 1.496 176.210 174.900 -0.310 0.000 1.150 202 G CA 1.186 46.049 45.100 -0.395 0.000 0.776 202 G HN 0.678 nan 8.290 nan 0.000 0.542 203 G N 1.135 109.812 108.800 -0.205 0.000 2.404 203 G HA2 0.057 4.016 3.960 -0.001 0.000 0.215 203 G HA3 0.057 4.016 3.960 -0.001 0.000 0.215 203 G C 2.069 176.862 174.900 -0.179 0.000 1.174 203 G CA 1.500 46.512 45.100 -0.146 0.000 0.780 203 G HN 0.612 nan 8.290 nan 0.000 0.537 204 A N 0.743 123.470 122.820 -0.154 0.000 1.940 204 A HA -0.007 4.313 4.320 -0.001 0.000 0.219 204 A C 2.702 180.208 177.584 -0.131 0.000 1.176 204 A CA 2.291 54.215 52.037 -0.189 0.000 0.631 204 A CB -0.614 18.285 19.000 -0.168 0.000 0.814 204 A HN 0.318 nan 8.150 nan 0.000 0.446 205 S N -0.467 115.165 115.700 -0.113 0.000 2.353 205 S HA -0.153 4.316 4.470 -0.001 0.000 0.222 205 S C 1.932 176.435 174.600 -0.162 0.000 1.035 205 S CA 1.452 59.566 58.200 -0.143 0.000 1.025 205 S CB -0.627 62.442 63.200 -0.218 0.000 0.902 205 S HN 0.350 nan 8.310 nan 0.000 0.440 206 V N 1.698 121.529 119.914 -0.138 0.000 2.252 206 V HA -0.239 3.881 4.120 -0.001 0.000 0.249 206 V C 2.607 178.651 176.094 -0.083 0.000 1.056 206 V CA 2.149 64.381 62.300 -0.114 0.000 1.022 206 V CB -1.494 30.244 31.823 -0.142 0.000 0.641 206 V HN 0.625 nan 8.190 nan 0.000 0.445 207 G N -1.339 107.364 108.800 -0.163 0.000 2.448 207 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.219 207 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.219 207 G C 1.546 176.424 174.900 -0.036 0.000 1.127 207 G CA 0.928 45.907 45.100 -0.202 0.000 0.766 207 G HN 0.483 nan 8.290 nan 0.000 0.552 208 M N -0.373 119.217 119.600 -0.017 0.000 2.419 208 M HA 0.095 4.575 4.480 -0.001 0.000 0.264 208 M C 2.075 178.480 176.300 0.174 0.000 1.082 208 M CA 0.618 56.029 55.300 0.185 0.000 1.119 208 M CB -0.053 32.675 32.600 0.213 0.000 1.398 208 M HN 0.144 nan 8.290 nan 0.000 0.453 209 H N -0.336 118.837 119.070 0.171 0.000 2.470 209 H HA 0.097 4.652 4.556 -0.000 0.000 0.289 209 H C 2.007 177.514 175.328 0.299 0.000 1.033 209 H CA 1.145 57.289 56.048 0.160 0.000 1.331 209 H CB 0.001 29.756 29.762 -0.011 0.000 1.414 209 H HN 0.364 nan 8.280 nan 0.000 0.545 210 I N 0.234 121.057 120.570 0.422 0.000 2.439 210 I HA -0.197 3.973 4.170 -0.001 0.000 0.251 210 I C 2.129 178.484 176.117 0.396 0.000 1.139 210 I CA 0.655 62.245 61.300 0.483 0.000 1.438 210 I CB 0.079 38.321 38.000 0.403 0.000 1.085 210 I HN 0.101 nan 8.210 nan 0.000 0.427 211 L N -1.100 120.322 121.223 0.333 0.000 2.084 211 L HA 0.008 4.347 4.340 -0.001 0.000 0.202 211 L C 1.466 178.458 176.870 0.203 0.000 1.074 211 L CA 0.231 55.273 54.840 0.337 0.000 0.757 211 L CB -0.354 41.941 42.059 0.392 0.000 0.918 211 L HN 0.017 nan 8.230 nan 0.000 0.444 212 S N 0.396 116.126 115.700 0.050 0.000 2.555 212 S HA 0.041 4.510 4.470 -0.001 0.000 0.293 212 S C -1.538 172.949 174.600 -0.189 0.000 1.248 212 S CA -1.177 56.833 58.200 -0.318 0.000 1.096 212 S CB 0.805 63.336 63.200 -1.115 0.000 0.881 212 S HN -0.060 nan 8.310 nan 0.000 0.498 213 P HA -0.006 nan 4.420 nan 0.000 0.218 213 P C 1.249 178.472 177.300 -0.129 0.000 1.148 213 P CA 0.869 63.908 63.100 -0.103 0.000 0.822 213 P CB -0.040 31.608 31.700 -0.087 0.000 0.784 214 G N -1.634 107.037 108.800 -0.215 0.000 3.061 214 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.208 214 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.208 214 G C 1.035 175.861 174.900 -0.124 0.000 1.175 214 G CA 0.344 45.341 45.100 -0.171 0.000 0.812 214 G HN 0.205 nan 8.290 nan 0.000 0.523 215 S N -0.914 114.735 115.700 -0.084 0.000 2.769 215 S HA 0.121 4.590 4.470 -0.001 0.000 0.258 215 S C 2.049 176.708 174.600 0.098 0.000 1.080 215 S CA -0.508 57.716 58.200 0.039 0.000 0.943 215 S CB 0.256 63.577 63.200 0.201 0.000 0.893 215 S HN 0.323 nan 8.310 nan 0.000 0.490 216 R N 2.225 122.754 120.500 0.049 0.000 2.159 216 R HA -0.155 4.185 4.340 -0.001 0.000 0.252 216 R C 0.493 176.652 176.300 -0.234 0.000 1.144 216 R CA 1.862 57.926 56.100 -0.059 0.000 0.961 216 R CB -0.544 29.725 30.300 -0.052 0.000 0.877 216 R HN 0.356 nan 8.270 nan 0.000 0.444 217 D N 0.343 120.646 120.400 -0.162 0.000 2.338 217 D HA -0.006 4.634 4.640 -0.001 0.000 0.239 217 D C 1.032 177.185 176.300 -0.245 0.000 1.095 217 D CA 0.642 54.521 54.000 -0.201 0.000 0.888 217 D CB 0.205 40.915 40.800 -0.151 0.000 0.899 217 D HN 0.306 nan 8.370 nan 0.000 0.525 218 L N -0.218 120.908 121.223 -0.162 0.000 2.728 218 L HA 0.200 4.540 4.340 -0.001 0.000 0.238 218 L C -0.159 176.765 176.870 0.091 0.000 1.143 218 L CA -0.198 54.569 54.840 -0.122 0.000 0.937 218 L CB -0.050 41.980 42.059 -0.048 0.000 1.225 218 L HN -0.089 nan 8.230 nan 0.000 0.507 219 F N -3.953 115.939 119.950 -0.096 0.000 2.741 219 F HA 0.539 5.066 4.527 -0.000 0.000 0.311 219 F C 0.285 176.077 175.800 -0.014 0.000 1.149 219 F CA -1.413 56.564 58.000 -0.038 0.000 0.930 219 F CB 1.205 40.197 39.000 -0.014 0.000 1.312 219 F HN -0.328 nan 8.300 nan 0.000 0.450 220 R N 1.217 121.739 120.500 0.037 0.000 2.033 220 R HA 0.425 4.765 4.340 -0.001 0.000 0.219 220 R C 0.336 176.638 176.300 0.003 0.000 1.223 220 R CA 1.324 57.390 56.100 -0.056 0.000 0.971 220 R CB 0.084 30.373 30.300 -0.019 0.000 0.855 220 R HN 0.835 nan 8.270 nan 0.000 0.452 221 R N -0.810 119.780 120.500 0.150 0.000 3.006 221 R HA 0.821 5.160 4.340 -0.001 0.000 0.235 221 R C -1.302 175.263 176.300 0.443 0.000 1.362 221 R CA -0.782 55.448 56.100 0.217 0.000 1.067 221 R CB 1.334 31.602 30.300 -0.053 0.000 1.396 221 R HN 0.240 nan 8.270 nan 0.000 0.504 222 A N 0.409 123.506 122.820 0.462 0.000 2.604 222 A HA 0.619 4.938 4.320 -0.001 0.000 0.295 222 A C -1.285 176.415 177.584 0.194 0.000 1.067 222 A CA -0.880 51.350 52.037 0.323 0.000 0.683 222 A CB 1.493 20.654 19.000 0.269 0.000 1.281 222 A HN 0.616 nan 8.150 nan 0.000 0.407 223 I N 1.104 121.732 120.570 0.097 0.000 2.465 223 I HA 0.461 4.631 4.170 -0.001 0.000 0.291 223 I C -1.419 174.723 176.117 0.042 0.000 1.014 223 I CA -0.718 60.561 61.300 -0.036 0.000 1.093 223 I CB 1.900 39.831 38.000 -0.115 0.000 1.267 223 I HN 0.429 nan 8.210 nan 0.000 0.431 224 L N 6.276 127.501 121.223 0.002 0.000 2.349 224 L HA 0.427 4.767 4.340 -0.001 0.000 0.278 224 L C -0.581 176.347 176.870 0.097 0.000 0.996 224 L CA -0.230 54.615 54.840 0.007 0.000 0.825 224 L CB 1.636 43.640 42.059 -0.091 0.000 1.243 224 L HN 0.499 nan 8.230 nan 0.000 0.412 225 Q N 2.061 121.960 119.800 0.166 0.000 2.368 225 Q HA 0.503 4.843 4.340 -0.001 0.000 0.263 225 Q C -0.155 175.940 176.000 0.158 0.000 1.009 225 Q CA -0.631 55.334 55.803 0.270 0.000 0.818 225 Q CB 1.538 30.537 28.738 0.436 0.000 1.239 225 Q HN 0.590 nan 8.270 nan 0.000 0.464 226 S N 1.317 117.097 115.700 0.134 0.000 3.608 226 S HA -0.115 4.355 4.470 -0.001 0.000 0.382 226 S C -0.044 174.700 174.600 0.239 0.000 0.945 226 S CA 0.615 58.918 58.200 0.171 0.000 1.256 226 S CB -1.093 62.169 63.200 0.104 0.000 0.913 226 S HN 1.021 nan 8.310 nan 0.000 0.518 227 G N -0.347 108.541 108.800 0.147 0.000 2.299 227 G HA2 0.483 4.442 3.960 -0.001 0.000 0.312 227 G HA3 0.483 4.442 3.960 -0.001 0.000 0.312 227 G C -1.126 173.726 174.900 -0.081 0.000 1.654 227 G CA 0.197 45.392 45.100 0.158 0.000 0.912 227 G HN 0.519 nan 8.290 nan 0.000 0.667 228 S N 2.036 117.617 115.700 -0.199 0.000 2.568 228 S HA 0.832 5.302 4.470 -0.001 0.000 0.293 228 S C -1.418 172.890 174.600 -0.487 0.000 1.089 228 S CA -1.604 56.345 58.200 -0.418 0.000 0.945 228 S CB 2.348 65.348 63.200 -0.334 0.000 1.077 228 S HN 0.377 nan 8.310 nan 0.000 0.485 229 P HA -0.062 nan 4.420 nan 0.000 0.222 229 P C 0.359 177.416 177.300 -0.406 0.000 1.147 229 P CA 0.914 63.758 63.100 -0.427 0.000 0.790 229 P CB -0.213 31.270 31.700 -0.361 0.000 0.780 230 N N -0.847 117.640 118.700 -0.354 0.000 2.295 230 N HA 0.006 4.745 4.740 -0.001 0.000 0.221 230 N C -0.100 175.182 175.510 -0.381 0.000 1.129 230 N CA -0.358 52.520 53.050 -0.287 0.000 0.836 230 N CB -1.392 37.037 38.487 -0.097 0.000 1.040 230 N HN -0.005 nan 8.380 nan 0.000 0.494 231 C N 2.001 120.959 119.300 -0.569 0.000 2.657 231 C HA 0.108 4.568 4.460 -0.001 0.000 0.420 231 C C -0.427 174.088 174.990 -0.793 0.000 1.323 231 C CA -0.752 57.797 59.018 -0.782 0.000 1.894 231 C CB 0.891 27.834 27.740 -1.327 0.000 2.681 231 C HN 0.296 nan 8.230 nan 0.000 0.613 232 P HA -0.144 nan 4.420 nan 0.000 0.217 232 P C 1.282 178.383 177.300 -0.333 0.000 1.151 232 P CA 1.756 64.591 63.100 -0.442 0.000 0.849 232 P CB -0.083 31.323 31.700 -0.490 0.000 0.787 233 W N -2.244 118.904 121.300 -0.253 0.000 3.290 233 W HA 0.548 5.208 4.660 -0.000 0.000 0.287 233 W C 1.122 177.679 176.519 0.063 0.000 1.288 233 W CA 0.438 57.724 57.345 -0.097 0.000 1.725 233 W CB -1.148 28.294 29.460 -0.030 0.000 1.103 233 W HN -0.119 nan 8.180 nan 0.000 0.670 234 A N 1.431 123.851 122.820 -0.666 0.000 2.167 234 A HA 0.185 4.504 4.320 -0.001 0.000 0.214 234 A C 0.983 178.354 177.584 -0.354 0.000 1.151 234 A CA 1.187 52.941 52.037 -0.471 0.000 0.735 234 A CB -0.529 18.023 19.000 -0.746 0.000 0.802 234 A HN 0.256 nan 8.150 nan 0.000 0.467 235 S N -2.221 113.290 115.700 -0.315 0.000 2.615 235 S HA 0.573 5.043 4.470 -0.001 0.000 0.268 235 S C -0.839 173.627 174.600 -0.223 0.000 1.146 235 S CA -0.133 57.883 58.200 -0.308 0.000 0.818 235 S CB 1.043 64.011 63.200 -0.386 0.000 1.111 235 S HN 1.433 nan 8.310 nan 0.000 0.465 236 V N -0.990 118.811 119.914 -0.187 0.000 3.160 236 V HA 0.965 5.085 4.120 -0.001 0.000 0.310 236 V C 0.133 176.151 176.094 -0.127 0.000 1.181 236 V CA -0.341 61.875 62.300 -0.140 0.000 1.047 236 V CB 1.248 33.007 31.823 -0.107 0.000 1.068 236 V HN 1.660 nan 8.190 nan 0.000 0.441 237 S N 0.619 116.256 115.700 -0.106 0.000 2.614 237 S HA 0.360 4.830 4.470 -0.001 0.000 0.265 237 S C 0.976 175.526 174.600 -0.084 0.000 1.303 237 S CA 0.167 58.309 58.200 -0.097 0.000 1.000 237 S CB 1.337 64.490 63.200 -0.078 0.000 0.935 237 S HN 1.126 nan 8.310 nan 0.000 0.551 238 V N 1.821 121.672 119.914 -0.105 0.000 2.469 238 V HA -0.185 3.935 4.120 -0.001 0.000 0.251 238 V C 2.836 178.913 176.094 -0.029 0.000 1.064 238 V CA 2.367 64.609 62.300 -0.097 0.000 1.066 238 V CB -1.706 29.985 31.823 -0.219 0.000 0.667 238 V HN 1.004 nan 8.190 nan 0.000 0.461 239 A N -0.002 122.798 122.820 -0.033 0.000 1.841 239 A HA -0.242 4.078 4.320 -0.001 0.000 0.214 239 A C 2.207 179.776 177.584 -0.024 0.000 1.195 239 A CA 1.950 53.977 52.037 -0.017 0.000 0.611 239 A CB -0.589 18.400 19.000 -0.020 0.000 0.835 239 A HN 0.531 nan 8.150 nan 0.000 0.443 240 E N 0.218 120.393 120.200 -0.042 0.000 2.118 240 E HA -0.076 4.273 4.350 -0.001 0.000 0.195 240 E C 1.904 178.478 176.600 -0.042 0.000 0.992 240 E CA 1.660 58.026 56.400 -0.056 0.000 0.804 240 E CB -0.829 28.826 29.700 -0.075 0.000 0.741 240 E HN 0.417 nan 8.360 nan 0.000 0.458 241 G N 0.390 109.176 108.800 -0.023 0.000 2.408 241 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.217 241 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.217 241 G C 1.744 176.666 174.900 0.037 0.000 1.150 241 G CA 0.729 45.839 45.100 0.016 0.000 0.776 241 G HN 0.327 nan 8.290 nan 0.000 0.542 242 R N 0.280 120.793 120.500 0.022 0.000 2.073 242 R HA 0.067 4.406 4.340 -0.001 0.000 0.229 242 R C 2.505 178.810 176.300 0.009 0.000 1.120 242 R CA 1.121 57.233 56.100 0.020 0.000 0.967 242 R CB -0.352 29.963 30.300 0.025 0.000 0.862 242 R HN 0.307 nan 8.270 nan 0.000 0.436 243 R N 0.586 121.084 120.500 -0.004 0.000 2.082 243 R HA -0.143 4.197 4.340 -0.001 0.000 0.234 243 R C 2.278 178.573 176.300 -0.009 0.000 1.136 243 R CA 2.009 58.099 56.100 -0.017 0.000 0.935 243 R CB -0.167 30.109 30.300 -0.040 0.000 0.842 243 R HN 0.251 nan 8.270 nan 0.000 0.430 244 R N -0.100 120.395 120.500 -0.008 0.000 2.105 244 R HA -0.116 4.224 4.340 -0.001 0.000 0.239 244 R C 2.345 178.724 176.300 0.132 0.000 1.135 244 R CA 1.278 57.387 56.100 0.015 0.000 0.967 244 R CB -0.380 29.887 30.300 -0.055 0.000 0.861 244 R HN 0.312 nan 8.270 nan 0.000 0.442 245 A N 0.827 123.718 122.820 0.117 0.000 1.858 245 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 245 A C 2.390 179.974 177.584 0.001 0.000 1.190 245 A CA 1.563 53.632 52.037 0.052 0.000 0.617 245 A CB -0.690 18.296 19.000 -0.024 0.000 0.827 245 A HN 0.116 nan 8.150 nan 0.000 0.443 246 V N 0.096 120.009 119.914 -0.002 0.000 2.343 246 V HA -0.255 3.865 4.120 -0.001 0.000 0.247 246 V C 2.627 178.724 176.094 0.004 0.000 1.051 246 V CA 2.472 64.767 62.300 -0.009 0.000 1.036 246 V CB -0.787 31.032 31.823 -0.007 0.000 0.654 246 V HN 0.699 nan 8.190 nan 0.000 0.451 247 E N 0.244 120.453 120.200 0.015 0.000 2.097 247 E HA -0.265 4.085 4.350 -0.001 0.000 0.196 247 E C 1.927 178.550 176.600 0.038 0.000 1.000 247 E CA 1.609 58.020 56.400 0.018 0.000 0.804 247 E CB -0.529 29.174 29.700 0.005 0.000 0.740 247 E HN 0.449 nan 8.360 nan 0.000 0.454 248 L N -0.278 120.987 121.223 0.070 0.000 2.017 248 L HA -0.007 4.332 4.340 -0.001 0.000 0.208 248 L C 2.202 179.087 176.870 0.025 0.000 1.073 248 L CA 2.412 57.299 54.840 0.080 0.000 0.745 248 L CB -1.087 41.031 42.059 0.099 0.000 0.894 248 L HN 0.245 nan 8.230 nan 0.000 0.432 249 G N -0.885 107.912 108.800 -0.004 0.000 2.459 249 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.217 249 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.217 249 G C 1.772 176.677 174.900 0.008 0.000 1.183 249 G CA 0.835 45.929 45.100 -0.010 0.000 0.776 249 G HN 0.437 nan 8.290 nan 0.000 0.552 250 R N 0.483 120.990 120.500 0.011 0.000 2.139 250 R HA -0.067 4.273 4.340 -0.001 0.000 0.243 250 R C 2.003 178.317 176.300 0.022 0.000 1.145 250 R CA 1.458 57.568 56.100 0.015 0.000 0.976 250 R CB -0.340 29.968 30.300 0.013 0.000 0.866 250 R HN 0.318 nan 8.270 nan 0.000 0.449 251 N N 0.122 118.839 118.700 0.029 0.000 2.515 251 N HA -0.051 4.688 4.740 -0.001 0.000 0.185 251 N C 0.469 176.002 175.510 0.038 0.000 1.109 251 N CA 0.677 53.751 53.050 0.038 0.000 0.903 251 N CB 0.323 38.841 38.487 0.052 0.000 0.969 251 N HN 0.317 nan 8.380 nan 0.000 0.450 252 L N -0.125 121.115 121.223 0.030 0.000 3.229 252 L HA 0.183 4.523 4.340 -0.001 0.000 0.286 252 L C -0.168 176.716 176.870 0.024 0.000 1.239 252 L CA -0.351 54.506 54.840 0.028 0.000 1.035 252 L CB -0.134 41.939 42.059 0.023 0.000 1.408 252 L HN -0.050 nan 8.230 nan 0.000 0.593 253 N N 0.708 119.422 118.700 0.023 0.000 2.671 253 N HA -0.184 4.556 4.740 -0.001 0.000 0.261 253 N C -0.639 174.884 175.510 0.022 0.000 1.053 253 N CA 0.307 53.371 53.050 0.022 0.000 0.732 253 N CB -0.957 37.544 38.487 0.024 0.000 0.887 253 N HN 0.306 nan 8.380 nan 0.000 0.546 254 c N 1.208 119.819 118.600 0.018 0.000 2.401 254 c HA 0.488 5.058 4.570 -0.001 0.000 0.356 254 c C 0.453 174.557 174.090 0.022 0.000 1.192 254 c CA -1.066 55.275 56.329 0.020 0.000 2.028 254 c CB 1.206 43.722 42.510 0.010 0.000 2.344 254 c HN 0.569 nan 8.230 nan 0.000 0.525 255 N N 1.896 120.615 118.700 0.031 0.000 2.442 255 N HA 0.194 4.934 4.740 -0.001 0.000 0.265 255 N C 0.389 175.909 175.510 0.018 0.000 1.138 255 N CA 0.116 53.182 53.050 0.027 0.000 0.956 255 N CB 0.670 39.179 38.487 0.036 0.000 1.067 255 N HN 0.543 nan 8.380 nan 0.000 0.474 256 L N 1.905 123.135 121.223 0.011 0.000 2.616 256 L HA 0.060 4.399 4.340 -0.001 0.000 0.229 256 L C 1.756 178.628 176.870 0.003 0.000 1.110 256 L CA 0.019 54.862 54.840 0.004 0.000 0.884 256 L CB -0.202 41.859 42.059 0.003 0.000 1.115 256 L HN 0.561 nan 8.230 nan 0.000 0.481 257 N N 0.840 119.543 118.700 0.006 0.000 2.060 257 N HA -0.171 4.568 4.740 -0.001 0.000 0.195 257 N C 0.787 176.298 175.510 0.001 0.000 1.028 257 N CA 1.225 54.278 53.050 0.004 0.000 0.861 257 N CB -0.184 38.306 38.487 0.005 0.000 1.029 257 N HN 0.327 nan 8.380 nan 0.000 0.428 258 S N -1.366 114.335 115.700 0.002 0.000 2.595 258 S HA 0.285 4.755 4.470 -0.001 0.000 0.281 258 S C -0.251 174.347 174.600 -0.003 0.000 1.117 258 S CA -0.902 57.297 58.200 -0.001 0.000 0.873 258 S CB 2.397 65.596 63.200 -0.001 0.000 1.108 258 S HN -0.078 nan 8.310 nan 0.000 0.477 259 D N 1.261 121.656 120.400 -0.009 0.000 2.123 259 D HA -0.088 4.552 4.640 -0.001 0.000 0.196 259 D C 1.477 177.774 176.300 -0.006 0.000 0.992 259 D CA 1.689 55.679 54.000 -0.017 0.000 0.833 259 D CB -0.212 40.574 40.800 -0.023 0.000 0.954 259 D HN 0.734 nan 8.370 nan 0.000 0.455 260 E N 0.649 120.851 120.200 0.004 0.000 2.153 260 E HA -0.121 4.229 4.350 -0.001 0.000 0.194 260 E C 1.974 178.599 176.600 0.042 0.000 0.988 260 E CA 0.696 57.108 56.400 0.019 0.000 0.811 260 E CB -0.034 29.672 29.700 0.010 0.000 0.746 260 E HN 0.304 nan 8.360 nan 0.000 0.466 261 E N 0.059 120.278 120.200 0.033 0.000 2.046 261 E HA -0.103 4.247 4.350 -0.001 0.000 0.190 261 E C 2.082 178.726 176.600 0.074 0.000 0.982 261 E CA 0.428 56.861 56.400 0.056 0.000 0.800 261 E CB -0.268 29.451 29.700 0.032 0.000 0.756 261 E HN 0.178 nan 8.360 nan 0.000 0.449 262 L N 1.665 122.905 121.223 0.028 0.000 2.042 262 L HA -0.184 4.156 4.340 -0.001 0.000 0.210 262 L C 2.135 179.000 176.870 -0.009 0.000 1.076 262 L CA 1.421 56.260 54.840 -0.001 0.000 0.749 262 L CB -0.512 41.525 42.059 -0.036 0.000 0.893 262 L HN 0.060 nan 8.230 nan 0.000 0.432 263 I N -0.888 119.684 120.570 0.002 0.000 2.286 263 I HA -0.287 3.883 4.170 -0.001 0.000 0.248 263 I C 2.547 178.727 176.117 0.104 0.000 1.115 263 I CA 1.668 62.981 61.300 0.022 0.000 1.392 263 I CB -1.725 36.300 38.000 0.042 0.000 1.065 263 I HN 0.467 nan 8.210 nan 0.000 0.418 264 H N 0.739 119.831 119.070 0.036 0.000 2.321 264 H HA -0.197 4.359 4.556 -0.001 0.000 0.300 264 H C 2.558 177.916 175.328 0.051 0.000 1.087 264 H CA 2.423 58.498 56.048 0.045 0.000 1.319 264 H CB -0.394 29.385 29.762 0.028 0.000 1.379 264 H HN 0.349 nan 8.280 nan 0.000 0.501 265 c N 0.329 118.912 118.600 -0.030 0.000 2.413 265 c HA -0.137 4.432 4.570 -0.001 0.000 0.277 265 c C 2.786 176.837 174.090 -0.064 0.000 1.228 265 c CA 1.325 57.610 56.329 -0.073 0.000 1.731 265 c CB -1.453 41.064 42.510 0.012 0.000 2.042 265 c HN 0.681 nan 8.230 nan 0.000 0.468 266 L N 0.034 121.253 121.223 -0.006 0.000 2.353 266 L HA -0.070 4.270 4.340 -0.001 0.000 0.220 266 L C 2.790 179.748 176.870 0.146 0.000 1.133 266 L CA 1.189 56.064 54.840 0.058 0.000 0.798 266 L CB -0.695 41.369 42.059 0.009 0.000 0.922 266 L HN 0.408 nan 8.230 nan 0.000 0.445 267 R N -0.170 120.378 120.500 0.080 0.000 2.210 267 R HA -0.013 4.326 4.340 -0.001 0.000 0.203 267 R C 1.628 177.893 176.300 -0.058 0.000 1.010 267 R CA 0.392 56.513 56.100 0.036 0.000 1.008 267 R CB 0.154 30.481 30.300 0.045 0.000 0.923 267 R HN 0.424 nan 8.270 nan 0.000 0.469 268 E N 0.371 120.485 120.200 -0.143 0.000 2.442 268 E HA 0.016 4.366 4.350 -0.001 0.000 0.195 268 E C -0.082 176.488 176.600 -0.050 0.000 1.030 268 E CA 0.352 56.671 56.400 -0.136 0.000 0.869 268 E CB 0.408 29.963 29.700 -0.242 0.000 0.857 268 E HN 0.024 nan 8.360 nan 0.000 0.505 269 K N 1.865 122.254 120.400 -0.019 0.000 2.218 269 K HA 0.226 4.546 4.320 -0.001 0.000 0.276 269 K C 0.082 176.711 176.600 0.048 0.000 1.022 269 K CA -0.121 56.176 56.287 0.018 0.000 0.946 269 K CB 1.103 33.619 32.500 0.028 0.000 1.000 269 K HN -0.076 nan 8.250 nan 0.000 0.468 270 K N 2.527 122.960 120.400 0.055 0.000 2.295 270 K HA 0.042 4.361 4.320 -0.001 0.000 0.270 270 K C -1.641 175.041 176.600 0.136 0.000 1.011 270 K CA -1.552 54.778 56.287 0.072 0.000 0.953 270 K CB 0.294 32.825 32.500 0.051 0.000 0.956 270 K HN 0.168 nan 8.250 nan 0.000 0.477 271 P HA -0.267 nan 4.420 nan 0.000 0.217 271 P C 1.135 178.621 177.300 0.311 0.000 1.158 271 P CA 1.407 64.713 63.100 0.345 0.000 0.887 271 P CB 0.266 31.995 31.700 0.049 0.000 0.792 272 Q N -0.121 119.777 119.800 0.163 0.000 2.170 272 Q HA -0.172 4.167 4.340 -0.001 0.000 0.203 272 Q C 1.916 177.999 176.000 0.138 0.000 0.976 272 Q CA 1.629 57.515 55.803 0.139 0.000 0.858 272 Q CB -0.812 27.975 28.738 0.082 0.000 0.907 272 Q HN 0.369 nan 8.270 nan 0.000 0.433 273 E N -0.863 119.407 120.200 0.118 0.000 2.204 273 E HA -0.169 4.181 4.350 -0.001 0.000 0.195 273 E C 1.453 178.113 176.600 0.099 0.000 0.990 273 E CA 0.752 57.209 56.400 0.095 0.000 0.821 273 E CB 0.041 29.783 29.700 0.071 0.000 0.750 273 E HN 0.220 nan 8.360 nan 0.000 0.477 274 L N 0.325 121.615 121.223 0.111 0.000 2.127 274 L HA -0.040 4.300 4.340 -0.001 0.000 0.203 274 L C 2.125 179.062 176.870 0.111 0.000 1.080 274 L CA 1.168 56.041 54.840 0.056 0.000 0.768 274 L CB -0.293 41.719 42.059 -0.079 0.000 0.924 274 L HN 0.122 nan 8.230 nan 0.000 0.444 275 I N -0.324 120.364 120.570 0.196 0.000 2.226 275 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 275 I C 1.830 178.099 176.117 0.254 0.000 1.100 275 I CA 1.079 62.530 61.300 0.252 0.000 1.374 275 I CB -0.299 37.879 38.000 0.296 0.000 1.057 275 I HN 0.272 nan 8.210 nan 0.000 0.413 276 D N 0.300 120.825 120.400 0.208 0.000 2.221 276 D HA -0.128 4.512 4.640 -0.001 0.000 0.204 276 D C 1.865 178.300 176.300 0.224 0.000 0.982 276 D CA 1.475 55.603 54.000 0.213 0.000 0.857 276 D CB -0.019 40.870 40.800 0.147 0.000 0.934 276 D HN 0.392 nan 8.370 nan 0.000 0.475 277 V N -2.370 117.652 119.914 0.180 0.000 3.483 277 V HA 0.193 4.313 4.120 -0.001 0.000 0.301 277 V C 1.710 177.893 176.094 0.149 0.000 1.389 277 V CA -0.058 62.340 62.300 0.163 0.000 1.101 277 V CB 0.374 32.266 31.823 0.116 0.000 0.971 277 V HN -0.091 nan 8.190 nan 0.000 0.434 278 E N 0.878 121.154 120.200 0.128 0.000 2.065 278 E HA -0.285 4.065 4.350 -0.001 0.000 0.201 278 E C 1.578 178.073 176.600 -0.176 0.000 1.016 278 E CA 2.848 59.248 56.400 -0.001 0.000 0.818 278 E CB -0.241 29.358 29.700 -0.170 0.000 0.749 278 E HN 0.841 nan 8.360 nan 0.000 0.453 279 W N 1.004 122.314 121.300 0.016 0.000 2.525 279 W HA -0.068 4.592 4.660 -0.000 0.000 0.259 279 W C 1.760 178.246 176.519 -0.055 0.000 1.253 279 W CA 0.358 57.666 57.345 -0.062 0.000 1.262 279 W CB -0.232 29.182 29.460 -0.078 0.000 1.122 279 W HN 0.119 nan 8.180 nan 0.000 0.607 280 N N 0.426 119.218 118.700 0.154 0.000 2.573 280 N HA -0.105 4.635 4.740 -0.001 0.000 0.187 280 N C 1.720 177.243 175.510 0.021 0.000 1.107 280 N CA 1.512 54.616 53.050 0.090 0.000 0.918 280 N CB -0.707 37.833 38.487 0.089 0.000 0.966 280 N HN 0.322 nan 8.380 nan 0.000 0.448 281 V N -2.166 117.726 119.914 -0.036 0.000 3.506 281 V HA 0.202 4.321 4.120 -0.001 0.000 0.263 281 V C 0.835 176.841 176.094 -0.147 0.000 1.203 281 V CA 0.019 62.263 62.300 -0.093 0.000 1.133 281 V CB -0.559 31.188 31.823 -0.127 0.000 0.802 281 V HN 0.000 nan 8.190 nan 0.000 0.459 282 L N 2.928 124.073 121.223 -0.130 0.000 2.513 282 L HA 0.161 4.500 4.340 -0.001 0.000 0.272 282 L C -0.245 176.516 176.870 -0.181 0.000 1.187 282 L CA -0.822 53.933 54.840 -0.141 0.000 0.895 282 L CB 0.404 42.440 42.059 -0.039 0.000 1.147 282 L HN 0.187 nan 8.230 nan 0.000 0.483 283 P HA -0.158 nan 4.420 nan 0.000 0.218 283 P C -0.119 176.807 177.300 -0.623 0.000 1.146 283 P CA 1.470 64.194 63.100 -0.628 0.000 0.813 283 P CB 0.165 31.238 31.700 -1.045 0.000 0.778 284 F N -1.013 118.938 119.950 0.002 0.000 2.603 284 F HA 0.404 4.931 4.527 -0.001 0.000 0.317 284 F C 0.253 176.056 175.800 0.005 0.000 1.066 284 F CA -1.710 56.294 58.000 0.007 0.000 0.941 284 F CB 0.162 39.170 39.000 0.014 0.000 1.291 284 F HN -0.415 nan 8.300 nan 0.000 0.472 285 D N 1.161 121.693 120.400 0.221 0.000 2.343 285 D HA 0.499 5.139 4.640 -0.001 0.000 0.255 285 D C -0.449 175.911 176.300 0.099 0.000 1.187 285 D CA 0.685 54.751 54.000 0.111 0.000 0.875 285 D CB 0.584 41.429 40.800 0.075 0.000 1.136 285 D HN 0.685 nan 8.370 nan 0.000 0.469 286 S N 1.561 117.301 115.700 0.066 0.000 2.656 286 S HA 0.597 5.067 4.470 -0.001 0.000 0.265 286 S C -0.839 173.767 174.600 0.009 0.000 1.132 286 S CA -1.058 57.169 58.200 0.046 0.000 0.819 286 S CB 0.279 63.532 63.200 0.089 0.000 1.119 286 S HN 0.408 nan 8.310 nan 0.000 0.476 287 I N -2.934 117.640 120.570 0.007 0.000 2.846 287 I HA 0.838 5.008 4.170 -0.001 0.000 0.307 287 I C -0.290 175.820 176.117 -0.012 0.000 1.053 287 I CA -1.084 60.220 61.300 0.007 0.000 1.050 287 I CB 1.314 39.341 38.000 0.045 0.000 1.239 287 I HN 0.826 nan 8.210 nan 0.000 0.439 288 F N 2.230 122.010 119.950 -0.283 0.000 3.039 288 F HA -0.173 4.354 4.527 -0.001 0.000 0.287 288 F C -0.534 174.702 175.800 -0.939 0.000 0.956 288 F CA 0.585 58.164 58.000 -0.701 0.000 0.971 288 F CB -0.616 37.891 39.000 -0.822 0.000 0.943 288 F HN 0.633 nan 8.300 nan 0.000 0.766 289 R N 0.867 120.813 120.500 -0.923 0.000 2.584 289 R HA 0.596 4.936 4.340 -0.001 0.000 0.276 289 R C -1.170 174.593 176.300 -0.895 0.000 1.046 289 R CA -0.533 55.107 56.100 -0.767 0.000 0.906 289 R CB 1.376 31.546 30.300 -0.218 0.000 1.215 289 R HN 0.011 nan 8.270 nan 0.000 0.449 290 F N -0.643 119.397 119.950 0.150 0.000 2.565 290 F HA 0.401 4.927 4.527 -0.001 0.000 0.313 290 F C 1.519 177.228 175.800 -0.152 0.000 1.091 290 F CA -0.848 57.158 58.000 0.011 0.000 0.915 290 F CB 1.704 40.807 39.000 0.171 0.000 1.208 290 F HN 0.331 nan 8.300 nan 0.000 0.453 291 S N 0.637 116.175 115.700 -0.270 0.000 2.380 291 S HA -0.098 4.371 4.470 -0.001 0.000 0.217 291 S C 0.188 174.399 174.600 -0.648 0.000 1.036 291 S CA 1.231 59.053 58.200 -0.629 0.000 1.050 291 S CB -0.328 62.207 63.200 -1.107 0.000 1.016 291 S HN 0.344 nan 8.310 nan 0.000 0.419 292 F N 1.980 121.957 119.950 0.046 0.000 2.404 292 F HA 0.560 5.086 4.527 -0.001 0.000 0.358 292 F C 0.280 176.136 175.800 0.093 0.000 1.120 292 F CA -0.962 57.100 58.000 0.104 0.000 1.144 292 F CB 0.550 39.645 39.000 0.159 0.000 1.133 292 F HN 0.017 nan 8.300 nan 0.000 0.495 293 V N 1.072 120.983 119.914 -0.006 0.000 3.202 293 V HA 0.723 4.843 4.120 -0.001 0.000 0.306 293 V C -2.965 172.750 176.094 -0.632 0.000 1.283 293 V CA -3.248 58.711 62.300 -0.568 0.000 1.065 293 V CB 1.962 33.609 31.823 -0.293 0.000 1.079 293 V HN 0.305 nan 8.190 nan 0.000 0.448 294 P HA 0.107 nan 4.420 nan 0.000 0.263 294 P C -0.745 176.416 177.300 -0.232 0.000 1.168 294 P CA 0.566 63.348 63.100 -0.530 0.000 0.759 294 P CB 0.431 31.782 31.700 -0.583 0.000 0.782 295 V N 5.444 125.324 119.914 -0.058 0.000 2.513 295 V HA 0.283 4.403 4.120 -0.001 0.000 0.299 295 V C 0.001 176.121 176.094 0.044 0.000 1.035 295 V CA -0.901 61.379 62.300 -0.034 0.000 0.889 295 V CB 1.223 33.047 31.823 0.002 0.000 0.988 295 V HN 0.268 nan 8.190 nan 0.000 0.440 296 I N 6.920 127.459 120.570 -0.051 0.000 2.366 296 I HA 0.113 4.283 4.170 -0.001 0.000 0.302 296 I C 1.248 177.360 176.117 -0.008 0.000 1.194 296 I CA 0.226 61.518 61.300 -0.014 0.000 1.667 296 I CB -0.546 37.375 38.000 -0.133 0.000 1.501 296 I HN 0.829 nan 8.210 nan 0.000 0.776 297 D N 3.139 123.590 120.400 0.084 0.000 2.183 297 D HA -0.074 4.565 4.640 -0.001 0.000 0.203 297 D C 1.562 177.863 176.300 0.002 0.000 0.969 297 D CA 1.361 55.331 54.000 -0.049 0.000 0.842 297 D CB 0.163 41.039 40.800 0.126 0.000 0.957 297 D HN 0.589 nan 8.370 nan 0.000 0.484 298 G N 0.092 108.963 108.800 0.120 0.000 2.218 298 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.216 298 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.216 298 G C 0.776 175.755 174.900 0.131 0.000 0.994 298 G CA 0.464 45.632 45.100 0.114 0.000 0.637 298 G HN 0.526 nan 8.290 nan 0.000 0.505 299 E N -0.994 119.299 120.200 0.155 0.000 2.225 299 E HA 0.396 4.745 4.350 -0.001 0.000 0.202 299 E C 1.909 178.557 176.600 0.080 0.000 0.987 299 E CA -0.066 56.402 56.400 0.115 0.000 1.010 299 E CB -0.030 29.749 29.700 0.131 0.000 1.464 299 E HN 0.224 nan 8.360 nan 0.000 0.508 300 F N 0.660 120.562 119.950 -0.080 0.000 2.147 300 F HA -0.103 4.424 4.527 -0.000 0.000 0.301 300 F C 0.139 175.689 175.800 -0.416 0.000 1.084 300 F CA 1.242 59.071 58.000 -0.285 0.000 1.268 300 F CB 0.156 38.899 39.000 -0.430 0.000 1.009 300 F HN -0.024 nan 8.300 nan 0.000 0.486 301 F N 0.619 120.723 119.950 0.255 0.000 2.366 301 F HA 0.357 4.884 4.527 -0.000 0.000 0.366 301 F C -1.534 174.311 175.800 0.075 0.000 1.096 301 F CA -3.004 55.087 58.000 0.151 0.000 1.060 301 F CB 0.625 39.710 39.000 0.142 0.000 1.282 301 F HN -0.261 nan 8.300 nan 0.000 0.450 302 P HA -0.159 nan 4.420 nan 0.000 0.217 302 P C 0.547 177.911 177.300 0.108 0.000 1.162 302 P CA 2.132 65.297 63.100 0.109 0.000 0.901 302 P CB 0.172 31.917 31.700 0.075 0.000 0.793 303 T N -6.442 108.184 114.554 0.119 0.000 2.626 303 T HA 0.480 4.830 4.350 -0.001 0.000 0.279 303 T C -0.134 174.606 174.700 0.067 0.000 0.983 303 T CA -0.579 61.568 62.100 0.078 0.000 1.059 303 T CB 0.688 69.590 68.868 0.056 0.000 1.396 303 T HN 0.010 nan 8.240 nan 0.000 0.519 304 S N -0.121 115.595 115.700 0.026 0.000 2.576 304 S HA 0.235 4.704 4.470 -0.001 0.000 0.272 304 S C 1.433 176.026 174.600 -0.011 0.000 1.352 304 S CA -0.762 57.429 58.200 -0.016 0.000 1.021 304 S CB -0.309 62.881 63.200 -0.017 0.000 0.887 304 S HN 0.645 nan 8.310 nan 0.000 0.542 305 L N 0.403 121.578 121.223 -0.080 0.000 2.046 305 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 305 L C 2.928 179.823 176.870 0.041 0.000 1.077 305 L CA 1.775 56.581 54.840 -0.057 0.000 0.747 305 L CB -0.720 41.238 42.059 -0.168 0.000 0.896 305 L HN 0.766 nan 8.230 nan 0.000 0.432 306 E N 0.419 120.642 120.200 0.039 0.000 2.110 306 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 306 E C 2.286 178.949 176.600 0.106 0.000 0.988 306 E CA 1.537 57.996 56.400 0.097 0.000 0.804 306 E CB -0.051 29.700 29.700 0.086 0.000 0.745 306 E HN 0.481 nan 8.360 nan 0.000 0.458 307 S N -0.522 115.224 115.700 0.077 0.000 2.368 307 S HA -0.158 4.311 4.470 -0.001 0.000 0.224 307 S C 2.127 176.788 174.600 0.102 0.000 1.029 307 S CA 1.252 59.498 58.200 0.077 0.000 0.988 307 S CB -0.370 62.860 63.200 0.050 0.000 0.838 307 S HN 0.239 nan 8.310 nan 0.000 0.462 308 M N 1.025 120.701 119.600 0.127 0.000 2.117 308 M HA 0.037 4.516 4.480 -0.001 0.000 0.262 308 M C 2.252 178.741 176.300 0.315 0.000 1.065 308 M CA 1.422 56.833 55.300 0.186 0.000 1.114 308 M CB -0.671 32.061 32.600 0.220 0.000 1.361 308 M HN 0.305 nan 8.290 nan 0.000 0.408 309 L N -0.189 121.215 121.223 0.303 0.000 2.093 309 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 309 L C 2.144 179.246 176.870 0.388 0.000 1.085 309 L CA 0.807 55.871 54.840 0.374 0.000 0.755 309 L CB -0.814 41.351 42.059 0.176 0.000 0.904 309 L HN 0.359 nan 8.230 nan 0.000 0.435 310 N N -0.235 118.610 118.700 0.240 0.000 2.244 310 N HA -0.125 4.615 4.740 -0.001 0.000 0.183 310 N C 1.999 177.650 175.510 0.235 0.000 1.016 310 N CA 1.642 54.823 53.050 0.219 0.000 0.866 310 N CB -0.039 38.532 38.487 0.139 0.000 0.980 310 N HN 0.345 nan 8.380 nan 0.000 0.430 311 S N -1.228 114.534 115.700 0.103 0.000 2.524 311 S HA 0.242 4.712 4.470 -0.001 0.000 0.216 311 S C 1.402 175.694 174.600 -0.514 0.000 0.987 311 S CA 0.631 58.781 58.200 -0.083 0.000 0.909 311 S CB 0.415 63.567 63.200 -0.080 0.000 0.781 311 S HN 0.365 nan 8.310 nan 0.000 0.521 312 G N 1.895 110.368 108.800 -0.545 0.000 2.157 312 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.248 312 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.248 312 G C 0.046 174.154 174.900 -1.320 0.000 0.979 312 G CA 0.039 44.227 45.100 -1.520 0.000 0.650 312 G HN 0.692 nan 8.290 nan 0.000 0.529 313 N N 0.804 119.183 118.700 -0.535 0.000 2.670 313 N HA 0.457 5.196 4.740 -0.001 0.000 0.296 313 N C -0.210 175.285 175.510 -0.024 0.000 1.216 313 N CA 0.445 53.334 53.050 -0.269 0.000 1.123 313 N CB -1.032 37.409 38.487 -0.077 0.000 1.459 313 N HN 0.927 nan 8.380 nan 0.000 0.509 314 F N -0.920 119.007 119.950 -0.039 0.000 2.740 314 F HA 0.300 4.827 4.527 -0.000 0.000 0.312 314 F C -0.466 175.373 175.800 0.065 0.000 1.121 314 F CA -1.495 56.544 58.000 0.065 0.000 0.977 314 F CB 0.312 39.419 39.000 0.179 0.000 1.265 314 F HN -0.033 nan 8.300 nan 0.000 0.443 315 K N 2.877 123.490 120.400 0.355 0.000 2.511 315 K HA 0.054 4.374 4.320 -0.001 0.000 0.277 315 K C -0.886 175.950 176.600 0.394 0.000 1.025 315 K CA 0.323 56.747 56.287 0.228 0.000 1.112 315 K CB 0.412 32.988 32.500 0.126 0.000 0.859 315 K HN 0.754 nan 8.250 nan 0.000 0.485 316 K N 3.598 124.109 120.400 0.185 0.000 2.293 316 K HA 0.215 4.535 4.320 -0.001 0.000 0.267 316 K C -0.286 176.424 176.600 0.183 0.000 1.010 316 K CA -0.595 55.810 56.287 0.197 0.000 0.875 316 K CB 1.883 34.389 32.500 0.009 0.000 1.106 316 K HN 0.674 nan 8.250 nan 0.000 0.450 317 T N 1.229 115.974 114.554 0.317 0.000 2.649 317 T HA 0.157 4.506 4.350 -0.001 0.000 0.305 317 T C -1.518 173.372 174.700 0.316 0.000 1.409 317 T CA -0.653 61.581 62.100 0.224 0.000 1.021 317 T CB 0.969 69.925 68.868 0.148 0.000 1.726 317 T HN 0.442 nan 8.240 nan 0.000 0.475 318 Q N 1.204 121.149 119.800 0.241 0.000 2.259 318 Q HA 0.717 5.056 4.340 -0.001 0.000 0.249 318 Q C -0.213 176.110 176.000 0.538 0.000 0.914 318 Q CA -0.294 55.717 55.803 0.348 0.000 0.904 318 Q CB 0.924 29.796 28.738 0.224 0.000 1.213 318 Q HN 0.670 nan 8.270 nan 0.000 0.428 319 I N -1.427 119.439 120.570 0.493 0.000 2.722 319 I HA 0.653 4.822 4.170 -0.001 0.000 0.295 319 I C -1.589 174.451 176.117 -0.128 0.000 1.161 319 I CA -1.336 60.100 61.300 0.227 0.000 1.032 319 I CB 1.785 39.741 38.000 -0.073 0.000 1.244 319 I HN 0.546 nan 8.210 nan 0.000 0.421 320 L N 7.143 128.034 121.223 -0.553 0.000 2.372 320 L HA 0.741 5.081 4.340 -0.001 0.000 0.274 320 L C -1.182 175.489 176.870 -0.332 0.000 0.988 320 L CA -0.527 53.895 54.840 -0.696 0.000 0.833 320 L CB 1.456 42.588 42.059 -1.545 0.000 1.236 320 L HN 0.811 nan 8.230 nan 0.000 0.410 321 L N 2.352 123.507 121.223 -0.113 0.000 2.403 321 L HA 1.130 5.470 4.340 -0.001 0.000 0.253 321 L C -0.649 176.011 176.870 -0.351 0.000 1.045 321 L CA -0.522 54.264 54.840 -0.090 0.000 0.845 321 L CB 2.094 44.094 42.059 -0.099 0.000 1.447 321 L HN 0.599 nan 8.230 nan 0.000 0.411 322 G N -0.214 108.133 108.800 -0.755 0.000 2.488 322 G HA2 0.595 4.555 3.960 -0.001 0.000 0.301 322 G HA3 0.595 4.555 3.960 -0.001 0.000 0.301 322 G C -1.424 173.091 174.900 -0.643 0.000 1.339 322 G CA -0.001 44.255 45.100 -1.407 0.000 0.803 322 G HN 1.308 nan 8.290 nan 0.000 0.482 323 V N -2.676 117.052 119.914 -0.310 0.000 3.156 323 V HA 0.903 5.023 4.120 -0.001 0.000 0.311 323 V C -1.060 175.100 176.094 0.110 0.000 1.208 323 V CA -1.416 60.900 62.300 0.027 0.000 1.063 323 V CB 1.913 33.788 31.823 0.086 0.000 1.098 323 V HN 0.664 nan 8.190 nan 0.000 0.452 324 N N 0.327 119.086 118.700 0.099 0.000 2.335 324 N HA 0.454 5.194 4.740 -0.001 0.000 0.304 324 N C 0.413 175.856 175.510 -0.111 0.000 1.135 324 N CA -0.591 52.486 53.050 0.044 0.000 0.817 324 N CB 1.954 40.577 38.487 0.227 0.000 1.294 324 N HN 0.915 nan 8.380 nan 0.000 0.497 325 K N 0.134 120.358 120.400 -0.293 0.000 2.160 325 K HA -0.112 4.207 4.320 -0.001 0.000 0.206 325 K C -0.663 176.018 176.600 0.135 0.000 1.047 325 K CA 1.413 57.646 56.287 -0.090 0.000 0.930 325 K CB 0.164 32.644 32.500 -0.035 0.000 0.720 325 K HN 0.537 nan 8.250 nan 0.000 0.450 326 D N 0.813 121.291 120.400 0.129 0.000 2.739 326 D HA 0.029 4.669 4.640 -0.001 0.000 0.335 326 D C 0.044 176.466 176.300 0.203 0.000 1.216 326 D CA -0.121 53.977 54.000 0.163 0.000 0.808 326 D CB 1.199 42.071 40.800 0.121 0.000 1.121 326 D HN 0.130 nan 8.370 nan 0.000 0.499 327 E N 0.487 120.834 120.200 0.245 0.000 2.219 327 E HA -0.136 4.213 4.350 -0.001 0.000 0.198 327 E C 1.928 178.727 176.600 0.332 0.000 0.998 327 E CA 0.754 57.357 56.400 0.338 0.000 0.818 327 E CB 0.089 29.977 29.700 0.314 0.000 0.741 327 E HN 0.454 nan 8.360 nan 0.000 0.477 328 G N 0.900 109.851 108.800 0.250 0.000 2.603 328 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.214 328 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.214 328 G C 1.681 176.732 174.900 0.252 0.000 1.140 328 G CA 0.720 45.974 45.100 0.257 0.000 0.800 328 G HN 0.370 nan 8.290 nan 0.000 0.533 329 S N 0.764 116.579 115.700 0.192 0.000 2.374 329 S HA -0.207 4.262 4.470 -0.001 0.000 0.227 329 S C 2.079 176.693 174.600 0.023 0.000 1.037 329 S CA 1.229 59.507 58.200 0.130 0.000 1.024 329 S CB -0.596 62.591 63.200 -0.022 0.000 0.861 329 S HN 0.127 nan 8.310 nan 0.000 0.456 330 F N 2.268 122.113 119.950 -0.175 0.000 2.043 330 F HA -0.018 4.509 4.527 -0.000 0.000 0.297 330 F C 1.969 177.537 175.800 -0.386 0.000 1.121 330 F CA 0.818 58.561 58.000 -0.428 0.000 1.199 330 F CB -1.112 37.470 39.000 -0.697 0.000 0.968 330 F HN 0.210 nan 8.300 nan 0.000 0.478 331 F N -0.350 119.623 119.950 0.037 0.000 2.171 331 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 331 F C 2.373 178.143 175.800 -0.051 0.000 1.090 331 F CA 0.904 58.850 58.000 -0.090 0.000 1.293 331 F CB -1.249 37.605 39.000 -0.244 0.000 1.013 331 F HN -0.072 nan 8.300 nan 0.000 0.486 332 L N -0.547 120.689 121.223 0.022 0.000 1.994 332 L HA -0.227 4.113 4.340 -0.001 0.000 0.208 332 L C 2.523 179.217 176.870 -0.294 0.000 1.071 332 L CA 0.881 55.491 54.840 -0.383 0.000 0.745 332 L CB -0.774 40.748 42.059 -0.895 0.000 0.892 332 L HN 0.172 nan 8.230 nan 0.000 0.431 333 L N -1.096 120.137 121.223 0.017 0.000 2.081 333 L HA -0.283 4.056 4.340 -0.001 0.000 0.212 333 L C 2.270 179.298 176.870 0.265 0.000 1.080 333 L CA 2.009 57.023 54.840 0.290 0.000 0.754 333 L CB -0.658 41.607 42.059 0.344 0.000 0.893 333 L HN 0.148 nan 8.230 nan 0.000 0.433 334 Y N -0.945 119.421 120.300 0.111 0.000 2.420 334 Y HA 0.207 4.756 4.550 -0.000 0.000 0.292 334 Y C 2.255 178.143 175.900 -0.020 0.000 1.119 334 Y CA 1.024 59.160 58.100 0.060 0.000 1.229 334 Y CB -0.133 38.323 38.460 -0.007 0.000 1.026 334 Y HN 0.264 nan 8.280 nan 0.000 0.554 335 G N -1.622 107.246 108.800 0.113 0.000 3.651 335 G HA2 0.479 4.439 3.960 -0.001 0.000 0.267 335 G HA3 0.479 4.439 3.960 -0.001 0.000 0.267 335 G C -0.251 174.671 174.900 0.035 0.000 1.009 335 G CA 0.345 45.467 45.100 0.037 0.000 0.866 335 G HN 0.262 nan 8.290 nan 0.000 0.488 336 A N 1.473 124.319 122.820 0.045 0.000 2.324 336 A HA 0.845 5.165 4.320 -0.001 0.000 0.330 336 A C -2.537 175.218 177.584 0.284 0.000 1.165 336 A CA -1.580 50.522 52.037 0.108 0.000 0.813 336 A CB 1.474 20.456 19.000 -0.029 0.000 1.197 336 A HN 0.067 nan 8.150 nan 0.000 0.484 337 P HA 0.341 nan 4.420 nan 0.000 0.275 337 P C 0.821 178.206 177.300 0.141 0.000 1.227 337 P CA 1.253 64.449 63.100 0.160 0.000 0.781 337 P CB 1.318 33.069 31.700 0.085 0.000 0.906 338 G N 1.788 110.602 108.800 0.023 0.000 2.279 338 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.223 338 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.223 338 G C -0.110 174.597 174.900 -0.322 0.000 1.015 338 G CA -0.449 44.541 45.100 -0.183 0.000 0.621 338 G HN 0.429 nan 8.290 nan 0.000 0.506 339 F N 1.874 121.772 119.950 -0.086 0.000 2.418 339 F HA 0.690 5.216 4.527 -0.000 0.000 0.341 339 F C 0.876 176.679 175.800 0.006 0.000 1.120 339 F CA 0.385 58.314 58.000 -0.120 0.000 1.232 339 F CB 1.820 40.806 39.000 -0.025 0.000 1.175 339 F HN 0.239 nan 8.300 nan 0.000 0.569 340 S N 1.325 117.145 115.700 0.200 0.000 2.550 340 S HA 0.304 4.774 4.470 -0.001 0.000 0.270 340 S C 0.079 174.905 174.600 0.377 0.000 1.145 340 S CA -0.881 57.456 58.200 0.228 0.000 0.852 340 S CB 1.770 65.024 63.200 0.090 0.000 1.119 340 S HN 0.754 nan 8.310 nan 0.000 0.465 341 K N 0.766 121.316 120.400 0.250 0.000 2.379 341 K HA 0.167 4.486 4.320 -0.001 0.000 0.194 341 K C -0.193 176.451 176.600 0.074 0.000 1.031 341 K CA 0.654 57.015 56.287 0.124 0.000 1.037 341 K CB 0.079 32.412 32.500 -0.278 0.000 0.824 341 K HN 0.591 nan 8.250 nan 0.000 0.516 342 D N 0.704 121.153 120.400 0.082 0.000 2.388 342 D HA 0.033 4.673 4.640 -0.001 0.000 0.221 342 D C -0.098 176.244 176.300 0.070 0.000 1.133 342 D CA 0.162 54.189 54.000 0.045 0.000 0.831 342 D CB 0.867 41.676 40.800 0.015 0.000 0.962 342 D HN 0.196 nan 8.370 nan 0.000 0.502 343 S N -0.625 115.150 115.700 0.125 0.000 2.672 343 S HA 0.214 4.684 4.470 -0.001 0.000 0.271 343 S C 0.325 175.004 174.600 0.132 0.000 1.171 343 S CA -0.867 57.381 58.200 0.081 0.000 0.817 343 S CB 1.346 64.546 63.200 0.001 0.000 1.150 343 S HN 0.020 nan 8.310 nan 0.000 0.478 344 E N 0.217 120.434 120.200 0.029 0.000 2.445 344 E HA 0.233 4.583 4.350 -0.001 0.000 0.189 344 E C -0.442 175.874 176.600 -0.474 0.000 1.069 344 E CA 0.255 56.647 56.400 -0.013 0.000 0.871 344 E CB -0.566 29.162 29.700 0.045 0.000 0.991 344 E HN 0.633 nan 8.360 nan 0.000 0.481 345 S N 1.240 116.627 115.700 -0.521 0.000 3.447 345 S HA -0.189 4.281 4.470 -0.001 0.000 0.371 345 S C -0.307 173.913 174.600 -0.634 0.000 0.951 345 S CA 0.759 58.530 58.200 -0.716 0.000 1.269 345 S CB -1.396 61.041 63.200 -1.271 0.000 0.919 345 S HN 0.424 nan 8.310 nan 0.000 0.516 346 K N 1.155 121.328 120.400 -0.378 0.000 2.402 346 K HA 0.182 4.502 4.320 -0.001 0.000 0.285 346 K C 0.399 176.810 176.600 -0.316 0.000 1.054 346 K CA -0.117 56.000 56.287 -0.283 0.000 1.001 346 K CB 0.273 32.670 32.500 -0.173 0.000 0.946 346 K HN 0.271 nan 8.250 nan 0.000 0.473 347 I N 2.937 123.313 120.570 -0.322 0.000 2.342 347 I HA 0.005 4.175 4.170 -0.001 0.000 0.291 347 I C 1.190 177.230 176.117 -0.129 0.000 1.010 347 I CA -0.200 60.932 61.300 -0.281 0.000 1.308 347 I CB 0.796 38.624 38.000 -0.286 0.000 1.400 347 I HN 0.632 nan 8.210 nan 0.000 0.488 348 S N 6.130 121.770 115.700 -0.100 0.000 2.600 348 S HA 0.212 4.682 4.470 -0.001 0.000 0.265 348 S C 1.182 175.781 174.600 -0.002 0.000 1.325 348 S CA -0.366 57.801 58.200 -0.054 0.000 1.002 348 S CB 1.463 64.637 63.200 -0.043 0.000 0.921 348 S HN 0.605 nan 8.310 nan 0.000 0.554 349 R N 0.863 121.354 120.500 -0.015 0.000 2.081 349 R HA -0.081 4.259 4.340 -0.001 0.000 0.235 349 R C 2.305 178.661 176.300 0.093 0.000 1.131 349 R CA 2.204 58.308 56.100 0.007 0.000 0.960 349 R CB -0.917 29.376 30.300 -0.012 0.000 0.856 349 R HN 0.946 nan 8.270 nan 0.000 0.436 350 E N -0.291 119.946 120.200 0.062 0.000 2.077 350 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 350 E C 1.043 177.693 176.600 0.083 0.000 0.989 350 E CA 1.546 57.987 56.400 0.069 0.000 0.800 350 E CB -0.074 29.649 29.700 0.039 0.000 0.746 350 E HN 0.329 nan 8.360 nan 0.000 0.452 351 D N -0.041 120.400 120.400 0.069 0.000 2.117 351 D HA -0.158 4.481 4.640 -0.001 0.000 0.197 351 D C 1.670 178.041 176.300 0.118 0.000 0.987 351 D CA 0.714 54.754 54.000 0.066 0.000 0.829 351 D CB -0.406 40.401 40.800 0.010 0.000 0.961 351 D HN 0.201 nan 8.370 nan 0.000 0.460 352 F N 1.378 121.324 119.950 -0.006 0.000 2.065 352 F HA -0.284 4.243 4.527 -0.000 0.000 0.298 352 F C 2.274 178.090 175.800 0.027 0.000 1.112 352 F CA 1.461 59.468 58.000 0.012 0.000 1.212 352 F CB -0.114 38.874 39.000 -0.020 0.000 0.975 352 F HN -0.155 nan 8.300 nan 0.000 0.476 353 M N -0.106 119.644 119.600 0.250 0.000 2.080 353 M HA -0.211 4.269 4.480 -0.001 0.000 0.260 353 M C 2.347 178.656 176.300 0.016 0.000 1.068 353 M CA 1.733 57.112 55.300 0.133 0.000 1.109 353 M CB -1.834 30.852 32.600 0.143 0.000 1.342 353 M HN 0.121 nan 8.290 nan 0.000 0.405 354 S N 0.807 116.525 115.700 0.031 0.000 2.351 354 S HA -0.111 4.359 4.470 -0.001 0.000 0.220 354 S C 2.128 176.713 174.600 -0.024 0.000 1.035 354 S CA 1.604 59.810 58.200 0.011 0.000 1.031 354 S CB -1.111 62.109 63.200 0.034 0.000 0.928 354 S HN 0.669 nan 8.310 nan 0.000 0.433 355 G N 1.436 110.218 108.800 -0.030 0.000 2.505 355 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.220 355 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.220 355 G C 1.459 176.266 174.900 -0.155 0.000 1.145 355 G CA 1.280 46.344 45.100 -0.059 0.000 0.761 355 G HN 0.420 nan 8.290 nan 0.000 0.571 356 V N 0.847 120.607 119.914 -0.257 0.000 2.261 356 V HA -0.164 3.956 4.120 -0.001 0.000 0.246 356 V C 2.676 178.695 176.094 -0.125 0.000 1.047 356 V CA 2.239 64.395 62.300 -0.239 0.000 1.015 356 V CB -0.436 31.236 31.823 -0.253 0.000 0.642 356 V HN 0.428 nan 8.190 nan 0.000 0.446 357 K N -0.177 120.166 120.400 -0.095 0.000 2.211 357 K HA -0.129 4.190 4.320 -0.001 0.000 0.204 357 K C 1.921 178.475 176.600 -0.077 0.000 1.047 357 K CA 1.341 57.576 56.287 -0.087 0.000 0.935 357 K CB -0.145 32.316 32.500 -0.066 0.000 0.728 357 K HN 0.427 nan 8.250 nan 0.000 0.452 358 L N 0.278 121.469 121.223 -0.054 0.000 2.492 358 L HA -0.022 4.318 4.340 -0.001 0.000 0.223 358 L C 1.635 178.493 176.870 -0.019 0.000 1.132 358 L CA 0.380 55.205 54.840 -0.025 0.000 0.850 358 L CB 0.174 42.227 42.059 -0.010 0.000 0.966 358 L HN 0.079 nan 8.230 nan 0.000 0.454 359 S N -0.863 114.812 115.700 -0.042 0.000 2.502 359 S HA 0.075 4.544 4.470 -0.001 0.000 0.215 359 S C 0.760 175.357 174.600 -0.004 0.000 1.009 359 S CA 0.023 58.210 58.200 -0.021 0.000 0.908 359 S CB 0.743 63.906 63.200 -0.061 0.000 0.801 359 S HN 0.224 nan 8.310 nan 0.000 0.505 360 V N 0.072 119.947 119.914 -0.065 0.000 2.502 360 V HA 0.342 4.462 4.120 -0.001 0.000 0.261 360 V C -2.215 173.729 176.094 -0.251 0.000 0.996 360 V CA -1.492 60.723 62.300 -0.142 0.000 1.095 360 V CB 0.553 32.243 31.823 -0.221 0.000 1.325 360 V HN 0.004 nan 8.190 nan 0.000 0.574 361 P HA -0.203 nan 4.420 nan 0.000 0.218 361 P C 1.136 178.012 177.300 -0.707 0.000 1.146 361 P CA 1.869 64.791 63.100 -0.296 0.000 0.813 361 P CB -0.055 31.640 31.700 -0.008 0.000 0.778 362 H N -1.032 117.807 119.070 -0.385 0.000 2.539 362 H HA 0.447 5.003 4.556 -0.000 0.000 0.267 362 H C 0.470 175.660 175.328 -0.230 0.000 0.982 362 H CA -0.183 55.676 56.048 -0.316 0.000 1.146 362 H CB -0.576 29.188 29.762 0.003 0.000 1.382 362 H HN -0.027 nan 8.280 nan 0.000 0.577 363 A N 2.348 124.723 122.820 -0.742 0.000 2.354 363 A HA 0.268 4.588 4.320 -0.001 0.000 0.269 363 A C 0.300 177.708 177.584 -0.292 0.000 1.109 363 A CA -0.509 51.230 52.037 -0.496 0.000 0.800 363 A CB 0.333 19.058 19.000 -0.459 0.000 1.045 363 A HN 0.664 nan 8.150 nan 0.000 0.489 364 N N 1.092 119.676 118.700 -0.195 0.000 2.347 364 N HA 0.030 4.770 4.740 -0.001 0.000 0.253 364 N C 0.477 175.925 175.510 -0.104 0.000 1.274 364 N CA -0.216 52.755 53.050 -0.130 0.000 0.941 364 N CB 0.328 38.760 38.487 -0.091 0.000 1.200 364 N HN 0.575 nan 8.380 nan 0.000 0.514 365 D N -1.018 119.341 120.400 -0.069 0.000 2.123 365 D HA -0.147 4.492 4.640 -0.001 0.000 0.196 365 D C 1.606 177.892 176.300 -0.024 0.000 0.992 365 D CA 0.965 54.940 54.000 -0.042 0.000 0.833 365 D CB 0.100 40.885 40.800 -0.025 0.000 0.954 365 D HN 0.453 nan 8.370 nan 0.000 0.455 366 L N 0.781 121.988 121.223 -0.027 0.000 2.046 366 L HA -0.022 4.318 4.340 -0.001 0.000 0.208 366 L C 2.344 179.213 176.870 -0.002 0.000 1.077 366 L CA 2.252 57.088 54.840 -0.007 0.000 0.747 366 L CB -0.984 41.064 42.059 -0.019 0.000 0.896 366 L HN 0.019 nan 8.230 nan 0.000 0.432 367 G N -0.353 108.418 108.800 -0.048 0.000 2.440 367 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.218 367 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.218 367 G C 1.607 176.505 174.900 -0.002 0.000 1.154 367 G CA 1.170 46.235 45.100 -0.058 0.000 0.767 367 G HN 0.443 nan 8.290 nan 0.000 0.552 368 L N 0.440 121.649 121.223 -0.023 0.000 2.083 368 L HA -0.067 4.273 4.340 -0.001 0.000 0.209 368 L C 2.515 179.428 176.870 0.071 0.000 1.083 368 L CA 1.190 56.033 54.840 0.005 0.000 0.752 368 L CB -0.391 41.655 42.059 -0.022 0.000 0.899 368 L HN 0.135 nan 8.230 nan 0.000 0.433 369 D N 0.333 120.780 120.400 0.078 0.000 2.117 369 D HA -0.149 4.491 4.640 -0.001 0.000 0.197 369 D C 2.244 178.636 176.300 0.152 0.000 0.987 369 D CA 1.500 55.571 54.000 0.118 0.000 0.829 369 D CB 0.014 40.871 40.800 0.095 0.000 0.961 369 D HN 0.312 nan 8.370 nan 0.000 0.460 370 A N 0.849 123.771 122.820 0.171 0.000 1.933 370 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 370 A C 2.552 180.257 177.584 0.203 0.000 1.175 370 A CA 1.212 53.411 52.037 0.269 0.000 0.628 370 A CB -0.676 18.567 19.000 0.406 0.000 0.814 370 A HN 0.151 nan 8.150 nan 0.000 0.444 371 V N -0.625 119.404 119.914 0.191 0.000 2.358 371 V HA -0.193 3.927 4.120 -0.001 0.000 0.246 371 V C 2.706 178.873 176.094 0.122 0.000 1.047 371 V CA 2.390 64.746 62.300 0.092 0.000 1.035 371 V CB -1.234 30.671 31.823 0.136 0.000 0.658 371 V HN 0.582 nan 8.190 nan 0.000 0.452 372 T N 0.628 115.286 114.554 0.173 0.000 2.737 372 T HA -0.160 4.190 4.350 -0.001 0.000 0.265 372 T C 1.926 176.738 174.700 0.187 0.000 1.038 372 T CA 1.822 64.078 62.100 0.259 0.000 1.144 372 T CB -0.347 68.697 68.868 0.292 0.000 0.866 372 T HN 0.313 nan 8.240 nan 0.000 0.434 373 L N 1.385 122.722 121.223 0.190 0.000 2.042 373 L HA -0.113 4.226 4.340 -0.001 0.000 0.210 373 L C 2.472 179.357 176.870 0.026 0.000 1.076 373 L CA 1.909 56.873 54.840 0.207 0.000 0.749 373 L CB -0.819 41.352 42.059 0.186 0.000 0.893 373 L HN 0.129 nan 8.230 nan 0.000 0.432 374 Q N -1.336 118.399 119.800 -0.107 0.000 2.170 374 Q HA -0.198 4.141 4.340 -0.001 0.000 0.203 374 Q C 1.257 177.030 176.000 -0.378 0.000 0.976 374 Q CA 1.962 57.549 55.803 -0.360 0.000 0.858 374 Q CB -0.232 28.005 28.738 -0.835 0.000 0.907 374 Q HN 0.714 nan 8.270 nan 0.000 0.433 375 Y N -1.250 118.964 120.300 -0.144 0.000 2.531 375 Y HA 0.330 4.880 4.550 -0.001 0.000 0.249 375 Y C -0.207 175.639 175.900 -0.090 0.000 1.168 375 Y CA -0.176 57.897 58.100 -0.046 0.000 1.226 375 Y CB 1.029 39.544 38.460 0.092 0.000 1.177 375 Y HN -0.178 nan 8.280 nan 0.000 0.527 376 T N 0.553 115.018 114.554 -0.148 0.000 2.794 376 T HA 0.130 4.480 4.350 -0.001 0.000 0.280 376 T C -0.988 173.324 174.700 -0.646 0.000 0.987 376 T CA -0.634 61.148 62.100 -0.531 0.000 0.993 376 T CB 1.054 69.368 68.868 -0.923 0.000 0.939 376 T HN -0.021 nan 8.240 nan 0.000 0.449 377 D N 1.889 121.962 120.400 -0.544 0.000 2.411 377 D HA 0.168 4.808 4.640 -0.001 0.000 0.225 377 D C 0.009 176.083 176.300 -0.378 0.000 1.156 377 D CA -0.720 53.067 54.000 -0.355 0.000 0.874 377 D CB 0.385 41.066 40.800 -0.198 0.000 1.034 377 D HN 0.608 nan 8.370 nan 0.000 0.502 378 W N 3.035 124.298 121.300 -0.061 0.000 2.961 378 W HA 0.090 4.750 4.660 -0.001 0.000 0.240 378 W C 1.638 178.128 176.519 -0.048 0.000 1.305 378 W CA -0.226 57.085 57.345 -0.057 0.000 1.465 378 W CB 0.057 29.489 29.460 -0.047 0.000 1.135 378 W HN 0.374 nan 8.180 nan 0.000 0.688 379 M N -0.303 119.358 119.600 0.102 0.000 2.383 379 M HA 0.073 4.552 4.480 -0.001 0.000 0.247 379 M C -0.243 176.067 176.300 0.016 0.000 1.117 379 M CA 0.790 56.127 55.300 0.061 0.000 0.995 379 M CB 0.422 33.043 32.600 0.035 0.000 1.480 379 M HN -0.207 nan 8.290 nan 0.000 0.485 380 D N -0.027 120.362 120.400 -0.019 0.000 4.239 380 D HA -0.050 4.590 4.640 -0.001 0.000 0.242 380 D C 0.279 176.505 176.300 -0.123 0.000 1.453 380 D CA 0.132 54.100 54.000 -0.053 0.000 0.841 380 D CB 0.209 40.977 40.800 -0.054 0.000 1.362 380 D HN 0.277 nan 8.370 nan 0.000 0.855 381 D N -0.950 119.373 120.400 -0.129 0.000 2.348 381 D HA -0.082 4.558 4.640 -0.001 0.000 0.216 381 D C 0.682 176.855 176.300 -0.211 0.000 0.970 381 D CA 0.352 54.195 54.000 -0.261 0.000 0.889 381 D CB 0.006 40.670 40.800 -0.227 0.000 0.912 381 D HN 0.359 nan 8.370 nan 0.000 0.524 382 N N 0.084 118.713 118.700 -0.117 0.000 2.299 382 N HA -0.052 4.688 4.740 -0.001 0.000 0.187 382 N C 0.323 175.772 175.510 -0.102 0.000 1.099 382 N CA -0.336 52.656 53.050 -0.096 0.000 0.867 382 N CB 0.114 38.572 38.487 -0.049 0.000 0.974 382 N HN 0.015 nan 8.380 nan 0.000 0.477 383 N N 1.224 119.858 118.700 -0.110 0.000 2.417 383 N HA -0.055 4.685 4.740 -0.001 0.000 0.272 383 N C 1.080 176.526 175.510 -0.106 0.000 1.304 383 N CA 0.173 53.168 53.050 -0.093 0.000 0.906 383 N CB 0.865 39.301 38.487 -0.086 0.000 1.135 383 N HN 0.249 nan 8.380 nan 0.000 0.483 384 G N 4.444 113.187 108.800 -0.094 0.000 2.432 384 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.219 384 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.219 384 G C 1.531 176.369 174.900 -0.104 0.000 1.135 384 G CA 0.285 45.318 45.100 -0.110 0.000 0.767 384 G HN 0.624 nan 8.290 nan 0.000 0.550 385 I N 0.683 121.210 120.570 -0.072 0.000 2.286 385 I HA -0.025 4.145 4.170 -0.001 0.000 0.245 385 I C 2.535 178.647 176.117 -0.008 0.000 1.104 385 I CA 1.056 62.333 61.300 -0.038 0.000 1.397 385 I CB -0.815 37.178 38.000 -0.012 0.000 1.072 385 I HN 0.184 nan 8.210 nan 0.000 0.417 386 K N 0.588 120.971 120.400 -0.030 0.000 2.097 386 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 386 K C 1.855 178.460 176.600 0.008 0.000 1.050 386 K CA 0.998 57.274 56.287 -0.018 0.000 0.938 386 K CB -0.039 32.416 32.500 -0.074 0.000 0.718 386 K HN 0.337 nan 8.250 nan 0.000 0.442 387 N N 0.773 119.447 118.700 -0.043 0.000 2.142 387 N HA -0.167 4.573 4.740 -0.001 0.000 0.186 387 N C 1.805 177.477 175.510 0.271 0.000 1.023 387 N CA 0.810 53.902 53.050 0.070 0.000 0.852 387 N CB -0.134 38.337 38.487 -0.027 0.000 0.998 387 N HN 0.195 nan 8.380 nan 0.000 0.424 388 R N 1.421 121.978 120.500 0.094 0.000 2.082 388 R HA -0.136 4.204 4.340 -0.001 0.000 0.234 388 R C 0.998 177.444 176.300 0.244 0.000 1.136 388 R CA 1.663 57.819 56.100 0.093 0.000 0.935 388 R CB -0.254 29.993 30.300 -0.087 0.000 0.842 388 R HN 0.136 nan 8.270 nan 0.000 0.430 389 D N -0.643 119.877 120.400 0.199 0.000 2.144 389 D HA -0.106 4.533 4.640 -0.001 0.000 0.199 389 D C 1.731 178.177 176.300 0.242 0.000 0.984 389 D CA 1.412 55.547 54.000 0.225 0.000 0.834 389 D CB -0.572 40.334 40.800 0.178 0.000 0.955 389 D HN 0.524 nan 8.370 nan 0.000 0.465 390 G N 1.075 110.037 108.800 0.269 0.000 2.491 390 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.218 390 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.218 390 G C 1.809 176.829 174.900 0.200 0.000 1.180 390 G CA 0.438 45.738 45.100 0.334 0.000 0.774 390 G HN 0.263 nan 8.290 nan 0.000 0.562 391 L N 0.356 121.695 121.223 0.193 0.000 2.046 391 L HA -0.084 4.256 4.340 -0.001 0.000 0.208 391 L C 2.606 179.511 176.870 0.058 0.000 1.077 391 L CA 1.427 56.285 54.840 0.030 0.000 0.747 391 L CB -0.413 41.717 42.059 0.118 0.000 0.896 391 L HN 0.234 nan 8.230 nan 0.000 0.432 392 D N 0.168 120.669 120.400 0.169 0.000 2.116 392 D HA -0.245 4.394 4.640 -0.001 0.000 0.193 392 D C 1.748 178.127 176.300 0.132 0.000 0.998 392 D CA 1.624 55.730 54.000 0.176 0.000 0.836 392 D CB 0.012 40.962 40.800 0.251 0.000 0.951 392 D HN 0.219 nan 8.370 nan 0.000 0.449 393 D N -0.409 120.079 120.400 0.148 0.000 2.144 393 D HA -0.079 4.560 4.640 -0.001 0.000 0.200 393 D C 2.332 178.655 176.300 0.038 0.000 0.978 393 D CA 0.416 54.523 54.000 0.179 0.000 0.833 393 D CB -0.120 40.891 40.800 0.351 0.000 0.961 393 D HN 0.379 nan 8.370 nan 0.000 0.470 394 I N 0.611 121.058 120.570 -0.204 0.000 2.090 394 I HA -0.250 3.920 4.170 -0.001 0.000 0.236 394 I C 2.485 178.474 176.117 -0.212 0.000 1.064 394 I CA 0.772 61.858 61.300 -0.356 0.000 1.324 394 I CB -0.336 37.411 38.000 -0.422 0.000 1.044 394 I HN -0.126 nan 8.210 nan 0.000 0.399 395 V N 1.181 121.015 119.914 -0.134 0.000 2.380 395 V HA -0.264 3.855 4.120 -0.001 0.000 0.251 395 V C 2.507 178.510 176.094 -0.151 0.000 1.063 395 V CA 2.237 64.469 62.300 -0.113 0.000 1.055 395 V CB -1.551 30.268 31.823 -0.007 0.000 0.657 395 V HN 0.634 nan 8.190 nan 0.000 0.455 396 G N -0.237 108.534 108.800 -0.048 0.000 2.414 396 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.215 396 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.215 396 G C 1.220 176.068 174.900 -0.086 0.000 1.188 396 G CA 0.975 46.073 45.100 -0.003 0.000 0.783 396 G HN 0.522 nan 8.290 nan 0.000 0.537 397 D N -0.080 120.269 120.400 -0.085 0.000 2.097 397 D HA -0.093 4.546 4.640 -0.001 0.000 0.197 397 D C 2.096 178.094 176.300 -0.504 0.000 0.984 397 D CA 1.378 55.299 54.000 -0.132 0.000 0.826 397 D CB -0.562 40.313 40.800 0.124 0.000 0.973 397 D HN 0.431 nan 8.370 nan 0.000 0.460 398 H N 0.779 119.224 119.070 -1.041 0.000 2.389 398 H HA 0.024 4.579 4.556 -0.000 0.000 0.299 398 H C 1.464 176.388 175.328 -0.673 0.000 1.081 398 H CA 1.588 56.861 56.048 -1.293 0.000 1.345 398 H CB 0.083 28.861 29.762 -1.640 0.000 1.393 398 H HN -0.033 nan 8.280 nan 0.000 0.520 399 N N -0.864 117.357 118.700 -0.799 0.000 2.409 399 N HA 0.018 4.757 4.740 -0.001 0.000 0.174 399 N C 1.093 176.333 175.510 -0.449 0.000 1.037 399 N CA 0.994 53.507 53.050 -0.894 0.000 0.898 399 N CB 1.083 38.524 38.487 -1.743 0.000 1.010 399 N HN 0.277 nan 8.380 nan 0.000 0.445 400 V N -0.139 119.615 119.914 -0.267 0.000 3.658 400 V HA 0.093 4.213 4.120 -0.001 0.000 0.197 400 V C 1.797 177.882 176.094 -0.016 0.000 1.295 400 V CA -0.040 62.240 62.300 -0.034 0.000 1.298 400 V CB -0.108 31.788 31.823 0.122 0.000 1.347 400 V HN -0.154 nan 8.190 nan 0.000 0.548 401 I N 1.057 121.633 120.570 0.011 0.000 2.052 401 I HA -0.290 3.880 4.170 -0.001 0.000 0.235 401 I C 2.592 178.725 176.117 0.027 0.000 1.046 401 I CA 2.283 63.609 61.300 0.044 0.000 1.308 401 I CB -0.978 37.081 38.000 0.099 0.000 1.031 401 I HN 0.361 nan 8.210 nan 0.000 0.395 402 c N 0.392 119.007 118.600 0.025 0.000 2.401 402 c HA -0.137 4.433 4.570 -0.001 0.000 0.276 402 c C 0.333 174.460 174.090 0.061 0.000 1.233 402 c CA 1.094 57.471 56.329 0.080 0.000 1.753 402 c CB -2.085 40.510 42.510 0.142 0.000 2.029 402 c HN 0.408 nan 8.230 nan 0.000 0.478 403 P HA -0.114 nan 4.420 nan 0.000 0.215 403 P C 1.799 179.129 177.300 0.051 0.000 1.157 403 P CA 1.104 64.186 63.100 -0.030 0.000 0.863 403 P CB -0.255 31.346 31.700 -0.166 0.000 0.787 404 L N -1.946 119.284 121.223 0.012 0.000 2.079 404 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 404 L C 2.087 179.008 176.870 0.086 0.000 1.081 404 L CA 1.784 56.647 54.840 0.037 0.000 0.752 404 L CB -0.543 41.509 42.059 -0.012 0.000 0.896 404 L HN -0.094 nan 8.230 nan 0.000 0.433 405 M N -0.897 118.743 119.600 0.066 0.000 2.086 405 M HA -0.221 4.259 4.480 -0.001 0.000 0.261 405 M C 2.290 178.663 176.300 0.121 0.000 1.067 405 M CA 1.717 57.053 55.300 0.060 0.000 1.116 405 M CB -1.645 31.004 32.600 0.081 0.000 1.348 405 M HN 0.401 nan 8.290 nan 0.000 0.407 406 H N -0.197 118.917 119.070 0.073 0.000 2.319 406 H HA -0.211 4.345 4.556 -0.000 0.000 0.299 406 H C 1.828 177.213 175.328 0.094 0.000 1.092 406 H CA 2.325 58.423 56.048 0.084 0.000 1.302 406 H CB -0.442 29.367 29.762 0.077 0.000 1.373 406 H HN 0.246 nan 8.280 nan 0.000 0.497 407 F N 0.372 120.317 119.950 -0.008 0.000 2.069 407 F HA -0.242 4.285 4.527 -0.001 0.000 0.298 407 F C 2.363 178.117 175.800 -0.077 0.000 1.113 407 F CA 1.685 59.638 58.000 -0.079 0.000 1.214 407 F CB -0.923 38.019 39.000 -0.097 0.000 0.978 407 F HN 0.060 nan 8.300 nan 0.000 0.474 408 V N 1.391 121.244 119.914 -0.102 0.000 2.222 408 V HA -0.456 3.663 4.120 -0.001 0.000 0.252 408 V C 2.368 178.363 176.094 -0.165 0.000 1.060 408 V CA 2.395 64.535 62.300 -0.266 0.000 1.027 408 V CB -1.123 30.442 31.823 -0.431 0.000 0.644 408 V HN 0.426 nan 8.190 nan 0.000 0.448 409 N N 0.149 118.824 118.700 -0.041 0.000 2.018 409 N HA -0.194 4.546 4.740 -0.001 0.000 0.196 409 N C 1.824 177.288 175.510 -0.076 0.000 1.043 409 N CA 1.544 54.621 53.050 0.046 0.000 0.856 409 N CB -0.440 38.072 38.487 0.042 0.000 1.042 409 N HN 0.418 nan 8.380 nan 0.000 0.423 410 K N 0.611 120.900 120.400 -0.185 0.000 2.113 410 K HA -0.171 4.149 4.320 -0.001 0.000 0.208 410 K C 2.010 178.544 176.600 -0.110 0.000 1.047 410 K CA 0.895 57.086 56.287 -0.159 0.000 0.928 410 K CB -0.722 31.655 32.500 -0.205 0.000 0.716 410 K HN 0.374 nan 8.250 nan 0.000 0.446 411 Y N 1.959 122.004 120.300 -0.425 0.000 2.153 411 Y HA -0.116 4.434 4.550 -0.001 0.000 0.289 411 Y C 1.522 177.376 175.900 -0.078 0.000 1.127 411 Y CA 1.486 59.339 58.100 -0.411 0.000 1.131 411 Y CB -0.336 37.593 38.460 -0.884 0.000 0.995 411 Y HN -0.054 nan 8.280 nan 0.000 0.505 412 T N 1.757 116.316 114.554 0.008 0.000 3.699 412 T HA -0.060 4.289 4.350 -0.001 0.000 0.257 412 T C 1.016 175.652 174.700 -0.107 0.000 1.155 412 T CA 0.859 62.986 62.100 0.044 0.000 0.987 412 T CB -0.529 68.490 68.868 0.252 0.000 1.028 412 T HN 0.335 nan 8.240 nan 0.000 0.583 413 K N -0.811 119.430 120.400 -0.264 0.000 2.440 413 K HA 0.269 4.589 4.320 -0.001 0.000 0.207 413 K C 0.100 176.184 176.600 -0.861 0.000 1.112 413 K CA 0.100 56.057 56.287 -0.550 0.000 1.036 413 K CB 0.763 32.838 32.500 -0.708 0.000 0.935 413 K HN 0.280 nan 8.250 nan 0.000 0.564 414 F N -0.555 119.304 119.950 -0.151 0.000 2.964 414 F HA 0.226 4.753 4.527 -0.001 0.000 0.371 414 F C 1.219 176.880 175.800 -0.232 0.000 1.026 414 F CA -0.679 57.195 58.000 -0.209 0.000 1.106 414 F CB 0.124 38.924 39.000 -0.334 0.000 1.135 414 F HN -0.120 nan 8.300 nan 0.000 0.557 415 G N 0.141 108.835 108.800 -0.178 0.000 2.631 415 G HA2 0.013 3.973 3.960 -0.001 0.000 0.271 415 G HA3 0.013 3.973 3.960 -0.001 0.000 0.271 415 G C 0.408 175.325 174.900 0.029 0.000 1.302 415 G CA -0.179 44.841 45.100 -0.132 0.000 1.002 415 G HN 0.283 nan 8.290 nan 0.000 0.519 416 N N -0.493 118.277 118.700 0.117 0.000 2.291 416 N HA 0.316 5.056 4.740 -0.001 0.000 0.244 416 N C 0.179 175.747 175.510 0.097 0.000 1.216 416 N CA 0.469 53.569 53.050 0.084 0.000 0.879 416 N CB 0.434 38.966 38.487 0.076 0.000 1.167 416 N HN 0.946 nan 8.380 nan 0.000 0.515 417 G N 0.367 109.234 108.800 0.111 0.000 2.326 417 G HA2 0.023 3.983 3.960 -0.001 0.000 0.299 417 G HA3 0.023 3.983 3.960 -0.001 0.000 0.299 417 G C -1.375 173.547 174.900 0.037 0.000 1.643 417 G CA -0.761 44.361 45.100 0.036 0.000 0.916 417 G HN 0.018 nan 8.290 nan 0.000 0.700 418 T N 1.275 115.725 114.554 -0.173 0.000 2.921 418 T HA 0.644 4.994 4.350 -0.001 0.000 0.297 418 T C -1.425 173.041 174.700 -0.390 0.000 1.013 418 T CA -0.385 61.643 62.100 -0.121 0.000 0.990 418 T CB 1.372 70.303 68.868 0.104 0.000 1.023 418 T HN 0.474 nan 8.240 nan 0.000 0.447 419 Y N 2.232 122.509 120.300 -0.039 0.000 2.332 419 Y HA 0.612 5.162 4.550 -0.001 0.000 0.326 419 Y C -0.464 175.574 175.900 0.230 0.000 0.978 419 Y CA -1.089 56.959 58.100 -0.086 0.000 1.205 419 Y CB 1.250 39.196 38.460 -0.856 0.000 1.131 419 Y HN 0.426 nan 8.280 nan 0.000 0.462 420 L N 5.681 127.307 121.223 0.671 0.000 2.322 420 L HA 0.605 4.945 4.340 -0.001 0.000 0.279 420 L C -1.004 176.295 176.870 0.716 0.000 1.036 420 L CA -1.045 54.084 54.840 0.481 0.000 0.807 420 L CB 0.611 42.783 42.059 0.188 0.000 1.226 420 L HN 0.519 nan 8.230 nan 0.000 0.433 421 Y N 2.738 123.312 120.300 0.458 0.000 2.581 421 Y HA 0.656 5.205 4.550 -0.001 0.000 0.345 421 Y C -1.702 174.460 175.900 0.436 0.000 1.036 421 Y CA -2.096 56.201 58.100 0.328 0.000 1.042 421 Y CB 1.203 39.796 38.460 0.221 0.000 1.289 421 Y HN 0.481 nan 8.280 nan 0.000 0.471 422 F N 4.411 124.712 119.950 0.585 0.000 2.564 422 F HA 0.417 4.944 4.527 -0.001 0.000 0.361 422 F C -1.381 174.691 175.800 0.454 0.000 1.161 422 F CA -1.733 56.546 58.000 0.464 0.000 1.198 422 F CB 0.181 39.462 39.000 0.469 0.000 1.424 422 F HN 0.563 nan 8.300 nan 0.000 0.517 423 F N 6.077 126.130 119.950 0.172 0.000 2.538 423 F HA 0.142 4.669 4.527 -0.001 0.000 0.382 423 F C 0.561 176.219 175.800 -0.237 0.000 1.069 423 F CA 0.260 58.255 58.000 -0.009 0.000 1.138 423 F CB 0.319 39.362 39.000 0.072 0.000 1.068 423 F HN 0.535 nan 8.300 nan 0.000 0.556 424 N N 2.874 121.212 118.700 -0.603 0.000 2.451 424 N HA 0.078 4.817 4.740 -0.001 0.000 0.271 424 N C -1.065 174.190 175.510 -0.425 0.000 1.410 424 N CA -0.583 52.217 53.050 -0.417 0.000 0.884 424 N CB -0.632 37.798 38.487 -0.095 0.000 1.332 424 N HN 0.581 nan 8.380 nan 0.000 0.498 425 H N 0.576 119.086 119.070 -0.933 0.000 2.517 425 H HA 0.529 5.084 4.556 -0.000 0.000 0.317 425 H C -0.354 174.794 175.328 -0.299 0.000 1.080 425 H CA -0.666 55.019 56.048 -0.605 0.000 1.301 425 H CB 0.998 30.299 29.762 -0.769 0.000 1.425 425 H HN 0.107 nan 8.280 nan 0.000 0.471 426 R N 4.483 124.515 120.500 -0.779 0.000 2.287 426 R HA 0.461 4.801 4.340 -0.001 0.000 0.327 426 R C -0.653 175.357 176.300 -0.483 0.000 1.109 426 R CA -0.198 55.640 56.100 -0.436 0.000 1.013 426 R CB -0.537 29.620 30.300 -0.238 0.000 1.126 426 R HN 0.775 nan 8.270 nan 0.000 0.503 427 A N 3.024 125.799 122.820 -0.076 0.000 2.624 427 A HA -0.027 4.293 4.320 -0.001 0.000 0.231 427 A C 1.258 178.931 177.584 0.148 0.000 1.034 427 A CA 0.843 53.060 52.037 0.299 0.000 0.754 427 A CB -0.001 19.319 19.000 0.533 0.000 0.953 427 A HN 1.035 nan 8.150 nan 0.000 0.509 428 S N 1.055 116.890 115.700 0.226 0.000 2.428 428 S HA -0.134 4.335 4.470 -0.001 0.000 0.230 428 S C 0.939 175.543 174.600 0.006 0.000 1.014 428 S CA 0.980 59.241 58.200 0.101 0.000 0.957 428 S CB -0.354 62.927 63.200 0.135 0.000 0.784 428 S HN 0.960 nan 8.310 nan 0.000 0.499 429 N N 0.566 119.239 118.700 -0.045 0.000 2.214 429 N HA 0.239 4.978 4.740 -0.001 0.000 0.214 429 N C -0.199 175.249 175.510 -0.102 0.000 1.132 429 N CA -0.474 52.490 53.050 -0.144 0.000 0.856 429 N CB -0.685 37.599 38.487 -0.339 0.000 1.020 429 N HN 0.267 nan 8.380 nan 0.000 0.509 430 L N 1.722 122.934 121.223 -0.017 0.000 2.593 430 L HA -0.081 4.258 4.340 -0.001 0.000 0.287 430 L C 1.445 178.263 176.870 -0.086 0.000 1.243 430 L CA 0.295 55.131 54.840 -0.006 0.000 0.890 430 L CB 0.815 42.882 42.059 0.013 0.000 1.134 430 L HN 0.257 nan 8.230 nan 0.000 0.502 431 V N 0.751 120.558 119.914 -0.178 0.000 3.506 431 V HA 0.124 4.244 4.120 -0.001 0.000 0.263 431 V C 0.655 176.616 176.094 -0.222 0.000 1.203 431 V CA -0.404 61.722 62.300 -0.291 0.000 1.133 431 V CB -1.028 30.448 31.823 -0.580 0.000 0.802 431 V HN 0.629 nan 8.190 nan 0.000 0.459 432 W N 0.907 122.128 121.300 -0.131 0.000 2.183 432 W HA 0.545 5.204 4.660 -0.001 0.000 0.348 432 W C -1.727 174.657 176.519 -0.224 0.000 1.257 432 W CA -1.871 55.376 57.345 -0.163 0.000 1.324 432 W CB -0.493 28.734 29.460 -0.388 0.000 1.144 432 W HN -0.039 nan 8.180 nan 0.000 0.622 433 P HA -0.098 nan 4.420 nan 0.000 0.273 433 P C 0.587 177.768 177.300 -0.198 0.000 1.258 433 P CA 0.109 63.138 63.100 -0.119 0.000 0.802 433 P CB 0.591 32.179 31.700 -0.186 0.000 1.040 434 E N -0.226 119.916 120.200 -0.096 0.000 2.190 434 E HA -0.054 4.296 4.350 -0.001 0.000 0.191 434 E C 1.736 178.317 176.600 -0.032 0.000 0.978 434 E CA 0.545 56.914 56.400 -0.052 0.000 0.839 434 E CB -0.212 29.508 29.700 0.033 0.000 0.787 434 E HN 0.631 nan 8.360 nan 0.000 0.473 435 W N 0.137 121.458 121.300 0.034 0.000 2.421 435 W HA -0.095 4.565 4.660 -0.000 0.000 0.270 435 W C 1.328 177.875 176.519 0.047 0.000 1.233 435 W CA 0.324 57.698 57.345 0.048 0.000 1.226 435 W CB -0.799 28.699 29.460 0.064 0.000 1.121 435 W HN -0.041 nan 8.180 nan 0.000 0.579 436 M N 1.415 120.560 119.600 -0.758 0.000 2.549 436 M HA 0.057 4.536 4.480 -0.001 0.000 0.260 436 M C 1.863 177.980 176.300 -0.304 0.000 1.076 436 M CA 1.573 56.410 55.300 -0.773 0.000 1.090 436 M CB -0.981 30.968 32.600 -1.085 0.000 1.418 436 M HN 0.170 nan 8.290 nan 0.000 0.486 437 G N 0.715 109.414 108.800 -0.168 0.000 2.627 437 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.312 437 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.312 437 G C -0.091 174.756 174.900 -0.088 0.000 1.299 437 G CA -0.043 45.013 45.100 -0.074 0.000 0.989 437 G HN 0.260 nan 8.290 nan 0.000 0.547 438 V N 1.983 121.884 119.914 -0.022 0.000 2.338 438 V HA 0.357 4.476 4.120 -0.001 0.000 0.255 438 V C 1.076 177.218 176.094 0.082 0.000 1.082 438 V CA -0.010 62.316 62.300 0.042 0.000 0.951 438 V CB 0.009 31.861 31.823 0.049 0.000 1.102 438 V HN 0.507 nan 8.190 nan 0.000 0.489 439 I N 3.216 123.798 120.570 0.019 0.000 2.696 439 I HA 0.155 4.325 4.170 -0.001 0.000 0.284 439 I C 0.902 177.217 176.117 0.331 0.000 1.129 439 I CA -0.521 60.794 61.300 0.025 0.000 1.410 439 I CB 0.273 38.021 38.000 -0.420 0.000 1.399 439 I HN 0.590 nan 8.210 nan 0.000 0.579 440 H N 4.203 123.434 119.070 0.268 0.000 3.140 440 H HA 0.093 4.649 4.556 -0.001 0.000 0.316 440 H C 1.157 176.692 175.328 0.345 0.000 0.986 440 H CA 1.280 57.512 56.048 0.306 0.000 1.397 440 H CB 0.316 30.271 29.762 0.322 0.000 1.377 440 H HN 0.793 nan 8.280 nan 0.000 0.585 441 G N 3.438 112.103 108.800 -0.225 0.000 2.184 441 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.264 441 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.264 441 G C 0.576 175.536 174.900 0.100 0.000 0.975 441 G CA 0.672 45.690 45.100 -0.137 0.000 0.642 441 G HN 0.675 nan 8.290 nan 0.000 0.536 442 Y N 1.107 121.544 120.300 0.229 0.000 2.462 442 Y HA 0.239 4.789 4.550 -0.000 0.000 0.293 442 Y C 2.227 178.245 175.900 0.197 0.000 1.195 442 Y CA 0.944 59.226 58.100 0.303 0.000 1.276 442 Y CB 0.455 39.105 38.460 0.316 0.000 1.082 442 Y HN 0.506 nan 8.280 nan 0.000 0.514 443 E N -0.357 119.827 120.200 -0.027 0.000 2.472 443 E HA -0.001 4.349 4.350 -0.001 0.000 0.196 443 E C 1.458 177.952 176.600 -0.176 0.000 1.033 443 E CA 0.482 56.521 56.400 -0.601 0.000 0.886 443 E CB -0.426 28.567 29.700 -1.179 0.000 0.944 443 E HN 0.513 nan 8.360 nan 0.000 0.492 444 I N 2.359 122.967 120.570 0.063 0.000 2.252 444 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 444 I C 2.535 178.734 176.117 0.136 0.000 1.102 444 I CA 1.723 63.131 61.300 0.180 0.000 1.385 444 I CB -0.389 37.794 38.000 0.306 0.000 1.064 444 I HN 0.182 nan 8.210 nan 0.000 0.414 445 E N 1.179 121.407 120.200 0.046 0.000 2.209 445 E HA -0.243 4.107 4.350 -0.001 0.000 0.196 445 E C 1.971 178.441 176.600 -0.218 0.000 0.993 445 E CA 1.546 57.879 56.400 -0.112 0.000 0.819 445 E CB -0.507 29.098 29.700 -0.157 0.000 0.745 445 E HN 0.423 nan 8.360 nan 0.000 0.477 446 F N 1.080 120.931 119.950 -0.166 0.000 2.270 446 F HA -0.015 4.512 4.527 -0.001 0.000 0.295 446 F C 2.388 178.018 175.800 -0.284 0.000 1.087 446 F CA 0.501 58.365 58.000 -0.227 0.000 1.365 446 F CB -0.255 38.640 39.000 -0.174 0.000 1.056 446 F HN -0.140 nan 8.300 nan 0.000 0.506 447 V N -0.962 118.872 119.914 -0.134 0.000 2.594 447 V HA -0.269 3.851 4.120 -0.001 0.000 0.253 447 V C 1.529 177.417 176.094 -0.344 0.000 1.069 447 V CA 1.586 63.653 62.300 -0.387 0.000 1.082 447 V CB -0.681 30.945 31.823 -0.330 0.000 0.680 447 V HN 0.220 nan 8.190 nan 0.000 0.469 448 F N 0.203 120.037 119.950 -0.193 0.000 2.693 448 F HA 0.427 4.954 4.527 -0.000 0.000 0.303 448 F C 1.786 177.479 175.800 -0.180 0.000 1.097 448 F CA 0.534 58.438 58.000 -0.161 0.000 1.330 448 F CB -0.126 38.755 39.000 -0.199 0.000 1.067 448 F HN 0.233 nan 8.300 nan 0.000 0.565 449 G N 0.650 109.361 108.800 -0.149 0.000 2.179 449 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.257 449 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.257 449 G C 1.169 175.755 174.900 -0.524 0.000 1.010 449 G CA 0.508 45.453 45.100 -0.259 0.000 0.736 449 G HN 0.444 nan 8.290 nan 0.000 0.513 450 L N -0.680 120.200 121.223 -0.572 0.000 2.265 450 L HA -0.048 4.292 4.340 -0.001 0.000 0.215 450 L C 0.176 176.627 176.870 -0.698 0.000 1.117 450 L CA 1.479 55.910 54.840 -0.682 0.000 0.782 450 L CB -1.004 40.789 42.059 -0.445 0.000 0.914 450 L HN 0.218 nan 8.230 nan 0.000 0.441 451 P HA -0.130 nan 4.420 nan 0.000 0.221 451 P C 1.697 178.742 177.300 -0.425 0.000 1.150 451 P CA 0.806 63.249 63.100 -1.094 0.000 0.800 451 P CB 0.110 31.108 31.700 -1.171 0.000 0.787 452 L N -1.460 119.544 121.223 -0.366 0.000 2.261 452 L HA -0.106 4.234 4.340 -0.001 0.000 0.216 452 L C 0.808 177.597 176.870 -0.136 0.000 1.114 452 L CA 1.197 55.921 54.840 -0.194 0.000 0.777 452 L CB -1.163 40.813 42.059 -0.139 0.000 0.910 452 L HN -0.180 nan 8.230 nan 0.000 0.440 453 V N 0.143 119.940 119.914 -0.195 0.000 2.508 453 V HA -0.020 4.100 4.120 -0.001 0.000 0.281 453 V C 1.430 177.517 176.094 -0.012 0.000 1.041 453 V CA -0.099 62.148 62.300 -0.090 0.000 1.016 453 V CB 0.925 32.674 31.823 -0.125 0.000 0.984 453 V HN 0.307 nan 8.190 nan 0.000 0.478 454 K N 2.730 123.127 120.400 -0.005 0.000 2.217 454 K HA -0.085 4.234 4.320 -0.001 0.000 0.202 454 K C 1.485 178.079 176.600 -0.010 0.000 1.051 454 K CA 0.935 57.223 56.287 0.002 0.000 0.952 454 K CB 0.154 32.653 32.500 -0.002 0.000 0.736 454 K HN 0.626 nan 8.250 nan 0.000 0.453 455 E N 0.926 121.114 120.200 -0.018 0.000 2.347 455 E HA -0.050 4.299 4.350 -0.001 0.000 0.196 455 E C 1.306 177.869 176.600 -0.063 0.000 1.008 455 E CA 0.574 56.952 56.400 -0.036 0.000 0.852 455 E CB -0.032 29.650 29.700 -0.031 0.000 0.783 455 E HN 0.211 nan 8.360 nan 0.000 0.505 456 L N 0.672 121.864 121.223 -0.051 0.000 2.599 456 L HA 0.041 4.381 4.340 -0.001 0.000 0.230 456 L C -0.265 176.446 176.870 -0.266 0.000 1.141 456 L CA -0.137 54.634 54.840 -0.115 0.000 0.877 456 L CB -0.450 41.628 42.059 0.033 0.000 1.009 456 L HN 0.127 nan 8.230 nan 0.000 0.447 457 N N -0.225 118.384 118.700 -0.151 0.000 2.671 457 N HA -0.238 4.502 4.740 -0.001 0.000 0.261 457 N C -0.956 174.410 175.510 -0.241 0.000 1.053 457 N CA 0.935 53.887 53.050 -0.164 0.000 0.732 457 N CB -1.513 36.871 38.487 -0.172 0.000 0.887 457 N HN 0.255 nan 8.380 nan 0.000 0.546 458 Y N -0.207 120.057 120.300 -0.061 0.000 2.420 458 Y HA 0.337 4.887 4.550 -0.000 0.000 0.334 458 Y C 1.410 177.303 175.900 -0.012 0.000 1.094 458 Y CA -0.633 57.442 58.100 -0.042 0.000 1.126 458 Y CB 1.100 39.502 38.460 -0.097 0.000 1.217 458 Y HN 0.164 nan 8.280 nan 0.000 0.462 459 T N -1.080 113.594 114.554 0.200 0.000 2.900 459 T HA 0.302 4.651 4.350 -0.001 0.000 0.307 459 T C 1.303 176.065 174.700 0.103 0.000 1.065 459 T CA -0.166 62.009 62.100 0.125 0.000 1.105 459 T CB 1.235 70.179 68.868 0.127 0.000 0.979 459 T HN 0.831 nan 8.240 nan 0.000 0.544 460 A N 1.798 124.656 122.820 0.064 0.000 1.927 460 A HA -0.174 4.146 4.320 -0.001 0.000 0.220 460 A C 2.217 179.821 177.584 0.034 0.000 1.185 460 A CA 2.071 54.132 52.037 0.040 0.000 0.639 460 A CB -1.024 17.993 19.000 0.028 0.000 0.820 460 A HN 0.993 nan 8.150 nan 0.000 0.451 461 E N -0.453 119.773 120.200 0.044 0.000 2.150 461 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 461 E C 1.911 178.522 176.600 0.018 0.000 0.985 461 E CA 1.161 57.578 56.400 0.028 0.000 0.814 461 E CB -0.154 29.567 29.700 0.035 0.000 0.752 461 E HN 0.760 nan 8.360 nan 0.000 0.466 462 E N 0.829 121.067 120.200 0.064 0.000 2.152 462 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 462 E C 1.999 178.615 176.600 0.025 0.000 0.983 462 E CA 0.685 57.148 56.400 0.105 0.000 0.818 462 E CB 0.029 29.886 29.700 0.261 0.000 0.758 462 E HN 0.288 nan 8.360 nan 0.000 0.467 463 E N 1.056 121.241 120.200 -0.024 0.000 2.204 463 E HA -0.153 4.197 4.350 -0.001 0.000 0.194 463 E C 1.962 178.537 176.600 -0.042 0.000 0.989 463 E CA 0.779 57.132 56.400 -0.079 0.000 0.824 463 E CB 0.022 29.690 29.700 -0.054 0.000 0.756 463 E HN 0.190 nan 8.360 nan 0.000 0.477 464 A N 1.491 124.301 122.820 -0.017 0.000 1.845 464 A HA -0.175 4.145 4.320 -0.001 0.000 0.215 464 A C 2.163 179.741 177.584 -0.011 0.000 1.195 464 A CA 1.436 53.462 52.037 -0.018 0.000 0.616 464 A CB -0.896 18.096 19.000 -0.013 0.000 0.832 464 A HN 0.397 nan 8.150 nan 0.000 0.443 465 L N 0.137 121.362 121.223 0.002 0.000 1.990 465 L HA -0.163 4.177 4.340 -0.001 0.000 0.213 465 L C 2.579 179.496 176.870 0.079 0.000 1.072 465 L CA 2.829 57.681 54.840 0.019 0.000 0.755 465 L CB -1.139 40.883 42.059 -0.062 0.000 0.889 465 L HN 0.375 nan 8.230 nan 0.000 0.432 466 S N -0.871 114.914 115.700 0.141 0.000 2.374 466 S HA -0.254 4.215 4.470 -0.001 0.000 0.227 466 S C 2.189 176.775 174.600 -0.024 0.000 1.037 466 S CA 1.675 59.918 58.200 0.072 0.000 1.024 466 S CB -0.258 62.863 63.200 -0.132 0.000 0.861 466 S HN 0.555 nan 8.310 nan 0.000 0.456 467 R N 0.098 120.578 120.500 -0.034 0.000 2.092 467 R HA 0.017 4.357 4.340 -0.001 0.000 0.231 467 R C 2.742 179.022 176.300 -0.034 0.000 1.119 467 R CA 1.430 57.507 56.100 -0.039 0.000 0.970 467 R CB -0.274 29.995 30.300 -0.052 0.000 0.864 467 R HN 0.375 nan 8.270 nan 0.000 0.440 468 R N 0.839 121.318 120.500 -0.035 0.000 2.073 468 R HA -0.080 4.259 4.340 -0.001 0.000 0.234 468 R C 2.173 178.477 176.300 0.008 0.000 1.134 468 R CA 1.368 57.421 56.100 -0.078 0.000 0.952 468 R CB -0.167 30.117 30.300 -0.026 0.000 0.850 468 R HN 0.166 nan 8.270 nan 0.000 0.433 469 I N 0.428 121.066 120.570 0.112 0.000 2.179 469 I HA -0.329 3.841 4.170 -0.001 0.000 0.242 469 I C 2.450 178.595 176.117 0.047 0.000 1.088 469 I CA 1.412 62.783 61.300 0.118 0.000 1.357 469 I CB -0.232 37.622 38.000 -0.243 0.000 1.051 469 I HN 0.302 nan 8.210 nan 0.000 0.409 470 M N -0.545 119.030 119.600 -0.043 0.000 2.144 470 M HA -0.277 4.203 4.480 -0.001 0.000 0.260 470 M C 2.390 178.776 176.300 0.143 0.000 1.067 470 M CA 1.801 57.094 55.300 -0.012 0.000 1.095 470 M CB -0.787 31.795 32.600 -0.029 0.000 1.365 470 M HN 0.290 nan 8.290 nan 0.000 0.406 471 H N -0.305 118.780 119.070 0.025 0.000 2.276 471 H HA -0.151 4.404 4.556 -0.000 0.000 0.301 471 H C 1.622 177.038 175.328 0.146 0.000 1.073 471 H CA 2.184 58.239 56.048 0.012 0.000 1.311 471 H CB -0.331 29.360 29.762 -0.120 0.000 1.379 471 H HN 0.254 nan 8.280 nan 0.000 0.494 472 Y N -0.443 120.037 120.300 0.299 0.000 2.040 472 Y HA -0.361 4.188 4.550 -0.001 0.000 0.275 472 Y C 2.770 178.845 175.900 0.292 0.000 1.171 472 Y CA 1.743 60.035 58.100 0.321 0.000 1.123 472 Y CB -1.110 37.719 38.460 0.616 0.000 0.963 472 Y HN 0.376 nan 8.280 nan 0.000 0.493 473 W N -0.456 120.953 121.300 0.181 0.000 2.311 473 W HA -0.322 4.338 4.660 -0.000 0.000 0.326 473 W C 2.704 179.222 176.519 -0.003 0.000 1.239 473 W CA 1.378 58.754 57.345 0.050 0.000 1.258 473 W CB -0.807 28.642 29.460 -0.017 0.000 1.165 473 W HN 0.120 nan 8.180 nan 0.000 0.466 474 A N 0.078 123.003 122.820 0.174 0.000 1.908 474 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 474 A C 1.804 179.360 177.584 -0.046 0.000 1.181 474 A CA 2.590 54.633 52.037 0.011 0.000 0.627 474 A CB -1.359 17.625 19.000 -0.027 0.000 0.818 474 A HN 0.294 nan 8.150 nan 0.000 0.445 475 T N -0.647 113.840 114.554 -0.111 0.000 2.665 475 T HA -0.184 4.166 4.350 -0.001 0.000 0.268 475 T C 1.576 176.229 174.700 -0.078 0.000 1.035 475 T CA 1.697 63.696 62.100 -0.168 0.000 1.151 475 T CB -0.452 68.271 68.868 -0.241 0.000 0.862 475 T HN 0.484 nan 8.240 nan 0.000 0.438 476 F N 2.387 122.238 119.950 -0.164 0.000 2.025 476 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 476 F C 2.533 178.250 175.800 -0.139 0.000 1.132 476 F CA 1.318 59.196 58.000 -0.205 0.000 1.191 476 F CB -1.052 37.775 39.000 -0.289 0.000 0.963 476 F HN 0.158 nan 8.300 nan 0.000 0.481 477 A N 0.122 122.899 122.820 -0.072 0.000 1.915 477 A HA -0.380 3.940 4.320 -0.001 0.000 0.220 477 A C 2.329 179.792 177.584 -0.201 0.000 1.198 477 A CA 2.598 54.548 52.037 -0.145 0.000 0.647 477 A CB -1.156 17.815 19.000 -0.048 0.000 0.825 477 A HN 0.573 nan 8.150 nan 0.000 0.456 478 K N -1.453 118.855 120.400 -0.154 0.000 2.062 478 K HA -0.114 4.206 4.320 -0.001 0.000 0.205 478 K C 1.965 178.469 176.600 -0.160 0.000 1.051 478 K CA 1.923 58.131 56.287 -0.131 0.000 0.941 478 K CB -0.139 32.301 32.500 -0.100 0.000 0.719 478 K HN 0.648 nan 8.250 nan 0.000 0.440 479 T N -4.487 109.945 114.554 -0.204 0.000 2.971 479 T HA 0.233 4.582 4.350 -0.001 0.000 0.252 479 T C 1.138 175.688 174.700 -0.251 0.000 1.022 479 T CA 0.586 62.574 62.100 -0.186 0.000 0.980 479 T CB 0.759 69.547 68.868 -0.134 0.000 1.044 479 T HN 0.345 nan 8.240 nan 0.000 0.501 480 G N 1.460 109.970 108.800 -0.483 0.000 2.141 480 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.242 480 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.242 480 G C -0.193 174.570 174.900 -0.229 0.000 0.982 480 G CA 0.091 44.826 45.100 -0.608 0.000 0.662 480 G HN 0.882 nan 8.290 nan 0.000 0.527 481 N N -0.451 118.141 118.700 -0.180 0.000 2.406 481 N HA 0.395 5.135 4.740 -0.001 0.000 0.283 481 N C -2.006 173.382 175.510 -0.202 0.000 1.074 481 N CA -1.140 51.806 53.050 -0.173 0.000 0.916 481 N CB 2.453 40.917 38.487 -0.038 0.000 1.639 481 N HN -0.066 nan 8.380 nan 0.000 0.485 482 P HA -0.009 nan 4.420 nan 0.000 0.224 482 P C -0.133 177.248 177.300 0.135 0.000 1.157 482 P CA 0.478 63.518 63.100 -0.101 0.000 0.799 482 P CB 0.478 31.971 31.700 -0.345 0.000 0.809 483 N N 1.331 120.070 118.700 0.065 0.000 2.415 483 N HA 0.042 4.782 4.740 -0.001 0.000 0.248 483 N C 0.578 176.141 175.510 0.088 0.000 1.271 483 N CA 0.163 53.315 53.050 0.171 0.000 0.913 483 N CB 0.560 39.148 38.487 0.168 0.000 1.129 483 N HN 0.081 nan 8.380 nan 0.000 0.444 484 E N 1.430 121.692 120.200 0.103 0.000 2.392 484 E HA 0.069 4.419 4.350 -0.001 0.000 0.259 484 E C -1.095 175.489 176.600 -0.028 0.000 1.108 484 E CA -1.255 55.173 56.400 0.047 0.000 0.916 484 E CB 0.336 30.085 29.700 0.082 0.000 0.989 484 E HN 0.418 nan 8.360 nan 0.000 0.432 485 P HA -0.140 nan 4.420 nan 0.000 0.218 485 P C -0.195 176.923 177.300 -0.303 0.000 1.148 485 P CA 1.683 64.582 63.100 -0.336 0.000 0.822 485 P CB 0.099 31.437 31.700 -0.603 0.000 0.784 486 H N -3.962 115.141 119.070 0.054 0.000 3.738 486 H HA 0.498 5.053 4.556 -0.001 0.000 0.340 486 H C -0.713 174.645 175.328 0.049 0.000 1.325 486 H CA -1.151 54.928 56.048 0.051 0.000 1.413 486 H CB -1.050 28.736 29.762 0.040 0.000 2.689 486 H HN -0.150 nan 8.280 nan 0.000 0.628 487 S N -0.241 115.582 115.700 0.204 0.000 2.722 487 S HA 0.288 4.758 4.470 -0.001 0.000 0.292 487 S C 0.962 175.631 174.600 0.115 0.000 1.135 487 S CA -0.508 57.784 58.200 0.152 0.000 1.003 487 S CB 1.520 64.791 63.200 0.117 0.000 1.067 487 S HN 0.625 nan 8.310 nan 0.000 0.546 488 Q N 0.165 120.016 119.800 0.086 0.000 2.424 488 Q HA 0.138 4.478 4.340 -0.001 0.000 0.204 488 Q C -0.228 175.817 176.000 0.074 0.000 0.933 488 Q CA 0.321 56.167 55.803 0.071 0.000 0.929 488 Q CB 0.161 28.929 28.738 0.051 0.000 1.037 488 Q HN 0.649 nan 8.270 nan 0.000 0.511 489 E N 1.036 121.284 120.200 0.081 0.000 2.437 489 E HA 0.025 4.375 4.350 -0.001 0.000 0.263 489 E C -0.467 176.203 176.600 0.116 0.000 1.030 489 E CA -0.072 56.381 56.400 0.089 0.000 0.934 489 E CB 0.533 30.287 29.700 0.089 0.000 0.943 489 E HN 0.005 nan 8.360 nan 0.000 0.444 490 S N 1.890 117.662 115.700 0.119 0.000 2.549 490 S HA 0.030 4.500 4.470 -0.001 0.000 0.283 490 S C 0.150 174.868 174.600 0.196 0.000 1.320 490 S CA -0.171 58.108 58.200 0.131 0.000 1.058 490 S CB 0.465 63.727 63.200 0.103 0.000 0.882 490 S HN 0.265 nan 8.310 nan 0.000 0.498 491 K N 1.532 122.050 120.400 0.198 0.000 2.154 491 K HA 0.149 4.469 4.320 -0.001 0.000 0.264 491 K C -0.477 176.329 176.600 0.344 0.000 1.008 491 K CA -0.441 56.007 56.287 0.269 0.000 0.937 491 K CB 0.564 33.198 32.500 0.224 0.000 1.002 491 K HN 0.601 nan 8.250 nan 0.000 0.469 492 W N 5.536 126.949 121.300 0.188 0.000 2.367 492 W HA 0.255 4.914 4.660 -0.000 0.000 0.329 492 W C -2.496 174.181 176.519 0.264 0.000 1.066 492 W CA -3.027 54.422 57.345 0.174 0.000 1.435 492 W CB -0.334 29.176 29.460 0.083 0.000 1.296 492 W HN 0.421 nan 8.180 nan 0.000 0.401 493 P HA -0.138 nan 4.420 nan 0.000 0.270 493 P C -0.529 177.064 177.300 0.488 0.000 1.216 493 P CA 0.043 63.402 63.100 0.431 0.000 0.788 493 P CB 0.560 32.433 31.700 0.288 0.000 0.883 494 L N 2.770 124.134 121.223 0.235 0.000 2.312 494 L HA 0.445 4.785 4.340 -0.001 0.000 0.281 494 L C -0.732 176.179 176.870 0.069 0.000 1.070 494 L CA -0.674 54.150 54.840 -0.028 0.000 0.805 494 L CB -0.072 41.935 42.059 -0.088 0.000 1.174 494 L HN 0.161 nan 8.230 nan 0.000 0.434 495 F N 4.178 124.079 119.950 -0.082 0.000 2.467 495 F HA 0.488 5.015 4.527 -0.001 0.000 0.362 495 F C 0.248 176.039 175.800 -0.015 0.000 1.090 495 F CA 0.158 58.175 58.000 0.029 0.000 1.202 495 F CB 0.626 39.666 39.000 0.067 0.000 1.113 495 F HN 0.669 nan 8.300 nan 0.000 0.541 496 T N 1.152 115.339 114.554 -0.612 0.000 2.900 496 T HA 0.234 4.584 4.350 -0.001 0.000 0.295 496 T C 0.753 175.101 174.700 -0.586 0.000 1.044 496 T CA -0.535 61.312 62.100 -0.423 0.000 0.995 496 T CB 1.488 70.228 68.868 -0.213 0.000 1.072 496 T HN 0.533 nan 8.240 nan 0.000 0.473 497 T N 1.188 115.560 114.554 -0.302 0.000 2.760 497 T HA -0.140 4.210 4.350 -0.001 0.000 0.269 497 T C 1.654 176.242 174.700 -0.186 0.000 1.047 497 T CA 1.789 63.769 62.100 -0.201 0.000 1.139 497 T CB -0.218 68.584 68.868 -0.111 0.000 0.855 497 T HN 0.718 nan 8.240 nan 0.000 0.471 498 K N 0.430 120.724 120.400 -0.178 0.000 2.067 498 K HA 0.013 4.332 4.320 -0.001 0.000 0.203 498 K C 2.114 178.641 176.600 -0.122 0.000 1.048 498 K CA 0.986 57.201 56.287 -0.120 0.000 0.954 498 K CB 0.178 32.624 32.500 -0.089 0.000 0.737 498 K HN 0.280 nan 8.250 nan 0.000 0.444 499 E N 0.220 120.322 120.200 -0.163 0.000 2.364 499 E HA 0.017 4.367 4.350 -0.001 0.000 0.196 499 E C -0.610 175.900 176.600 -0.150 0.000 0.990 499 E CA -0.026 56.302 56.400 -0.119 0.000 0.886 499 E CB 0.539 30.189 29.700 -0.083 0.000 0.866 499 E HN 0.188 nan 8.360 nan 0.000 0.493 500 Q N 1.167 120.724 119.800 -0.405 0.000 2.431 500 Q HA -0.232 4.108 4.340 -0.001 0.000 0.344 500 Q C -0.837 175.195 176.000 0.052 0.000 1.384 500 Q CA 0.571 56.030 55.803 -0.572 0.000 0.984 500 Q CB -1.643 27.017 28.738 -0.131 0.000 1.204 500 Q HN 0.237 nan 8.270 nan 0.000 0.392 501 K N 0.805 121.251 120.400 0.076 0.000 2.154 501 K HA 0.660 4.980 4.320 -0.001 0.000 0.264 501 K C -0.018 176.946 176.600 0.608 0.000 1.008 501 K CA -0.138 56.319 56.287 0.284 0.000 0.937 501 K CB 0.562 33.153 32.500 0.152 0.000 1.002 501 K HN 0.265 nan 8.250 nan 0.000 0.469 502 F N -0.403 119.725 119.950 0.296 0.000 2.713 502 F HA 0.561 5.088 4.527 -0.001 0.000 0.311 502 F C -1.103 174.779 175.800 0.136 0.000 1.141 502 F CA -1.498 56.679 58.000 0.295 0.000 0.939 502 F CB 0.660 39.837 39.000 0.295 0.000 1.325 502 F HN 0.444 nan 8.300 nan 0.000 0.453 503 I N -0.175 120.388 120.570 -0.012 0.000 3.023 503 I HA 0.794 4.964 4.170 -0.001 0.000 0.312 503 I C -1.443 174.717 176.117 0.072 0.000 1.056 503 I CA -0.966 60.197 61.300 -0.228 0.000 1.033 503 I CB 2.219 39.892 38.000 -0.546 0.000 1.233 503 I HN 0.685 nan 8.210 nan 0.000 0.462 504 D N 3.314 123.767 120.400 0.089 0.000 2.252 504 D HA 0.503 5.142 4.640 -0.001 0.000 0.245 504 D C -0.880 175.458 176.300 0.064 0.000 1.009 504 D CA -0.470 53.689 54.000 0.266 0.000 0.870 504 D CB 2.110 43.130 40.800 0.367 0.000 1.251 504 D HN 0.617 nan 8.370 nan 0.000 0.460 505 L N 2.075 123.333 121.223 0.058 0.000 2.276 505 L HA 0.425 4.764 4.340 -0.001 0.000 0.286 505 L C -0.333 176.398 176.870 -0.232 0.000 1.024 505 L CA -0.425 54.387 54.840 -0.046 0.000 0.826 505 L CB 0.233 42.330 42.059 0.064 0.000 1.211 505 L HN 0.583 nan 8.230 nan 0.000 0.422 506 N N -0.572 118.027 118.700 -0.169 0.000 3.526 506 N HA 0.276 5.016 4.740 -0.001 0.000 0.328 506 N C 0.464 175.880 175.510 -0.156 0.000 1.601 506 N CA -0.178 52.744 53.050 -0.213 0.000 0.834 506 N CB 0.381 38.809 38.487 -0.099 0.000 1.983 506 N HN 0.186 nan 8.380 nan 0.000 0.579 507 T N -2.769 111.712 114.554 -0.121 0.000 2.851 507 T HA 0.086 4.435 4.350 -0.001 0.000 0.262 507 T C 0.408 175.097 174.700 -0.018 0.000 1.043 507 T CA 0.693 62.743 62.100 -0.083 0.000 1.140 507 T CB -0.658 68.186 68.868 -0.041 0.000 0.872 507 T HN 0.540 nan 8.240 nan 0.000 0.446 508 E N 2.874 123.077 120.200 0.006 0.000 2.478 508 E HA 0.129 4.479 4.350 -0.001 0.000 0.262 508 E C -2.233 174.377 176.600 0.017 0.000 1.243 508 E CA -1.295 55.116 56.400 0.018 0.000 1.039 508 E CB -0.163 29.554 29.700 0.028 0.000 0.983 508 E HN 0.358 nan 8.360 nan 0.000 0.479 509 P HA -0.069 nan 4.420 nan 0.000 0.271 509 P C -0.402 176.908 177.300 0.015 0.000 1.216 509 P CA 0.038 63.151 63.100 0.023 0.000 0.776 509 P CB 0.571 32.282 31.700 0.019 0.000 0.881 510 M N 2.783 122.397 119.600 0.024 0.000 2.235 510 M HA -0.021 4.458 4.480 -0.001 0.000 0.336 510 M C -0.272 175.999 176.300 -0.050 0.000 1.146 510 M CA 1.158 56.455 55.300 -0.004 0.000 1.018 510 M CB -0.010 32.604 32.600 0.023 0.000 1.694 510 M HN 0.291 nan 8.290 nan 0.000 0.451 511 K N 3.670 124.004 120.400 -0.109 0.000 2.427 511 K HA 0.527 4.847 4.320 -0.001 0.000 0.252 511 K C -1.606 174.763 176.600 -0.386 0.000 0.931 511 K CA -0.875 55.272 56.287 -0.234 0.000 0.793 511 K CB 2.538 34.888 32.500 -0.249 0.000 1.211 511 K HN 0.512 nan 8.250 nan 0.000 0.426 512 V N 4.266 123.931 119.914 -0.415 0.000 2.383 512 V HA 0.253 4.372 4.120 -0.001 0.000 0.275 512 V C -0.059 175.660 176.094 -0.624 0.000 1.036 512 V CA -0.543 61.514 62.300 -0.405 0.000 0.889 512 V CB 0.738 32.450 31.823 -0.185 0.000 0.985 512 V HN 0.674 nan 8.190 nan 0.000 0.459 513 H N 3.314 122.032 119.070 -0.587 0.000 2.737 513 H HA 0.637 5.193 4.556 -0.001 0.000 0.358 513 H C -0.776 174.326 175.328 -0.376 0.000 1.187 513 H CA -0.709 54.978 56.048 -0.602 0.000 1.221 513 H CB 2.239 31.408 29.762 -0.988 0.000 1.799 513 H HN 0.575 nan 8.280 nan 0.000 0.568 514 Q N 0.480 120.376 119.800 0.160 0.000 2.397 514 Q HA 0.346 4.686 4.340 -0.001 0.000 0.275 514 Q C -0.629 175.620 176.000 0.415 0.000 1.090 514 Q CA -0.878 55.107 55.803 0.302 0.000 0.809 514 Q CB 2.690 31.511 28.738 0.139 0.000 1.362 514 Q HN 0.501 nan 8.270 nan 0.000 0.431 515 R N 1.047 121.772 120.500 0.376 0.000 2.877 515 R HA -0.207 4.132 4.340 -0.001 0.000 0.275 515 R C -0.688 175.711 176.300 0.164 0.000 0.924 515 R CA -0.177 56.068 56.100 0.241 0.000 0.715 515 R CB -1.320 29.073 30.300 0.155 0.000 1.761 515 R HN 0.419 nan 8.270 nan 0.000 0.498 516 L N 2.929 124.142 121.223 -0.018 0.000 2.584 516 L HA -0.005 4.335 4.340 -0.001 0.000 0.272 516 L C 1.062 177.879 176.870 -0.088 0.000 1.195 516 L CA 0.667 55.324 54.840 -0.305 0.000 0.920 516 L CB -0.033 41.623 42.059 -0.673 0.000 1.173 516 L HN 0.497 nan 8.230 nan 0.000 0.489 517 R N 2.216 122.682 120.500 -0.057 0.000 3.569 517 R HA -0.247 4.092 4.340 -0.001 0.000 0.260 517 R C 1.425 177.775 176.300 0.083 0.000 1.078 517 R CA 0.711 56.831 56.100 0.033 0.000 0.716 517 R CB -2.101 28.245 30.300 0.078 0.000 1.088 517 R HN 0.706 nan 8.270 nan 0.000 0.473 518 V N 0.598 120.557 119.914 0.076 0.000 2.277 518 V HA -0.410 3.709 4.120 -0.001 0.000 0.253 518 V C 2.335 178.491 176.094 0.104 0.000 1.067 518 V CA 2.753 65.113 62.300 0.099 0.000 1.047 518 V CB -0.168 31.709 31.823 0.091 0.000 0.649 518 V HN 0.525 nan 8.190 nan 0.000 0.447 519 Q N -0.710 119.136 119.800 0.076 0.000 1.975 519 Q HA -0.197 4.143 4.340 -0.001 0.000 0.205 519 Q C 2.177 178.229 176.000 0.086 0.000 0.990 519 Q CA 2.773 58.609 55.803 0.056 0.000 0.845 519 Q CB -0.466 28.278 28.738 0.011 0.000 0.913 519 Q HN 0.587 nan 8.270 nan 0.000 0.420 520 M N -0.699 118.962 119.600 0.102 0.000 2.202 520 M HA -0.168 4.311 4.480 -0.001 0.000 0.262 520 M C 2.297 178.841 176.300 0.407 0.000 1.063 520 M CA 0.964 56.377 55.300 0.188 0.000 1.097 520 M CB -1.180 31.573 32.600 0.254 0.000 1.382 520 M HN 0.375 nan 8.290 nan 0.000 0.413 521 c N -0.570 118.235 118.600 0.341 0.000 2.456 521 c HA -0.011 4.559 4.570 -0.001 0.000 0.279 521 c C 2.879 177.148 174.090 0.298 0.000 1.427 521 c CA 0.122 56.678 56.329 0.378 0.000 1.778 521 c CB -0.890 41.778 42.510 0.263 0.000 1.842 521 c HN 0.319 nan 8.230 nan 0.000 0.531 522 V N 0.487 120.535 119.914 0.223 0.000 2.427 522 V HA -0.203 3.917 4.120 -0.001 0.000 0.248 522 V C 2.052 178.251 176.094 0.174 0.000 1.051 522 V CA 2.032 64.434 62.300 0.170 0.000 1.048 522 V CB -0.778 31.117 31.823 0.121 0.000 0.666 522 V HN 0.554 nan 8.190 nan 0.000 0.456 523 F N 0.116 120.084 119.950 0.029 0.000 2.069 523 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 523 F C 1.965 177.713 175.800 -0.087 0.000 1.113 523 F CA 1.848 59.806 58.000 -0.071 0.000 1.214 523 F CB -0.404 38.430 39.000 -0.278 0.000 0.978 523 F HN 0.180 nan 8.300 nan 0.000 0.474 524 W N 0.458 121.848 121.300 0.150 0.000 2.418 524 W HA -0.079 4.580 4.660 -0.001 0.000 0.292 524 W C 2.192 178.676 176.519 -0.058 0.000 1.213 524 W CA 0.825 58.182 57.345 0.020 0.000 1.283 524 W CB -0.548 29.042 29.460 0.218 0.000 1.119 524 W HN -0.056 nan 8.180 nan 0.000 0.542 525 N N -0.454 118.353 118.700 0.179 0.000 2.395 525 N HA -0.030 4.710 4.740 -0.001 0.000 0.175 525 N C 1.324 176.821 175.510 -0.022 0.000 1.029 525 N CA 0.985 54.045 53.050 0.016 0.000 0.897 525 N CB -0.049 38.455 38.487 0.028 0.000 0.991 525 N HN 0.397 nan 8.380 nan 0.000 0.441 526 Q N -0.827 118.980 119.800 0.012 0.000 2.558 526 Q HA 0.177 4.517 4.340 -0.001 0.000 0.186 526 Q C 1.277 177.260 176.000 -0.029 0.000 0.894 526 Q CA -0.435 55.376 55.803 0.014 0.000 0.830 526 Q CB -0.219 28.564 28.738 0.076 0.000 1.107 526 Q HN 0.027 nan 8.270 nan 0.000 0.620 527 F N 2.393 122.243 119.950 -0.167 0.000 2.021 527 F HA -0.349 4.178 4.527 -0.001 0.000 0.297 527 F C 2.141 177.747 175.800 -0.323 0.000 1.152 527 F CA 1.863 59.735 58.000 -0.214 0.000 1.201 527 F CB -0.734 38.155 39.000 -0.185 0.000 0.951 527 F HN 0.154 nan 8.300 nan 0.000 0.504 528 L N 1.014 121.820 121.223 -0.695 0.000 1.991 528 L HA -0.193 4.147 4.340 -0.001 0.000 0.221 528 L C -0.735 175.857 176.870 -0.464 0.000 1.079 528 L CA 2.628 57.004 54.840 -0.774 0.000 0.778 528 L CB -2.198 39.251 42.059 -1.016 0.000 0.893 528 L HN 0.086 nan 8.230 nan 0.000 0.437 529 P HA -0.228 nan 4.420 nan 0.000 0.215 529 P C 1.538 178.723 177.300 -0.192 0.000 1.157 529 P CA 1.921 64.924 63.100 -0.161 0.000 0.874 529 P CB -0.102 31.537 31.700 -0.103 0.000 0.790 530 K N -0.315 119.944 120.400 -0.235 0.000 2.063 530 K HA -0.158 4.161 4.320 -0.001 0.000 0.208 530 K C 2.024 178.454 176.600 -0.284 0.000 1.048 530 K CA 1.138 57.296 56.287 -0.216 0.000 0.928 530 K CB -0.812 31.577 32.500 -0.185 0.000 0.713 530 K HN 0.050 nan 8.250 nan 0.000 0.442 531 L N 0.649 121.585 121.223 -0.478 0.000 1.988 531 L HA -0.149 4.190 4.340 -0.001 0.000 0.207 531 L C 2.129 178.842 176.870 -0.261 0.000 1.071 531 L CA 1.219 55.786 54.840 -0.454 0.000 0.744 531 L CB -0.315 41.327 42.059 -0.694 0.000 0.893 531 L HN 0.259 nan 8.230 nan 0.000 0.433 532 L N 0.546 121.627 121.223 -0.238 0.000 2.021 532 L HA -0.328 4.011 4.340 -0.001 0.000 0.215 532 L C 2.637 179.449 176.870 -0.097 0.000 1.074 532 L CA 2.034 56.789 54.840 -0.141 0.000 0.760 532 L CB -1.030 40.973 42.059 -0.094 0.000 0.889 532 L HN 0.583 nan 8.230 nan 0.000 0.433 533 N N 0.555 119.198 118.700 -0.096 0.000 2.120 533 N HA -0.171 4.569 4.740 -0.001 0.000 0.188 533 N C 1.697 177.170 175.510 -0.063 0.000 1.024 533 N CA 1.676 54.687 53.050 -0.065 0.000 0.852 533 N CB 0.095 38.544 38.487 -0.062 0.000 1.003 533 N HN 0.311 nan 8.380 nan 0.000 0.424 534 A N -0.300 122.471 122.820 -0.083 0.000 2.119 534 A HA -0.005 4.314 4.320 -0.001 0.000 0.217 534 A C 1.207 178.756 177.584 -0.059 0.000 1.153 534 A CA 1.428 53.425 52.037 -0.066 0.000 0.692 534 A CB -0.417 18.537 19.000 -0.075 0.000 0.799 534 A HN 0.535 nan 8.150 nan 0.000 0.458 535 T N -4.716 109.796 114.554 -0.070 0.000 3.532 535 T HA 0.709 5.058 4.350 -0.001 0.000 0.241 535 T C 0.234 174.905 174.700 -0.049 0.000 1.238 535 T CA 0.271 62.336 62.100 -0.057 0.000 1.405 535 T CB 0.603 69.431 68.868 -0.067 0.000 0.971 535 T HN 0.441 nan 8.240 nan 0.000 0.640 536 A N -0.161 122.637 122.820 -0.036 0.000 1.937 536 A HA 0.814 5.133 4.320 -0.001 0.000 0.198 536 A C 1.074 178.650 177.584 -0.014 0.000 1.635 536 A CA 0.533 52.555 52.037 -0.025 0.000 1.111 536 A CB 0.123 19.112 19.000 -0.019 0.000 1.165 536 A HN 1.408 nan 8.150 nan 0.000 0.460 537 C N 0.000 119.292 119.300 -0.013 0.000 2.653 537 C HA 0.000 4.460 4.460 -0.001 0.000 0.325 537 C CA 0.000 nan 59.018 nan 0.000 1.963 537 C CB 0.000 nan 27.740 nan 0.000 2.134 537 C HN 0.000 nan 8.230 nan 0.000 0.568