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 3i6m_1_A DATA FIRST_RESID 2 DATA SEQUENCE DHSELLVNTK SGKVMGTRVP VLSSHISAFL GIPFAEPPVG NMRFRRPEPK DATA SEQUENCE KPWSGVWNAS TYPNNcQQYV DEQFPGFSGS EMWNPNREMS EDcLYLNIWV DATA SEQUENCE PSPRPKSTTV MVWIYGGGFY SGSSTLDVYN GKYLAYTEEV VLVSLSYRVG DATA SEQUENCE AFGFLALHGS QEAPGNVGLL DQRMALQWVH DNIQFFGGDP KTVTIFGESA DATA SEQUENCE GGASVGMHIL SPGSRDLFRR AILQSGSPNC PWASVSVAEG RRRAVELGRN DATA SEQUENCE LNcNLNSDEE LIHcLREKKP QELIDVEWNV LPFDSIFRFS FVPVIDGEFF DATA SEQUENCE PTSLESMLNS GNFKKTQILL GVNKDEGSFF LLYGAPGFSK DSESKISRED DATA SEQUENCE FMSGVKLSVP HANDLGLDAV TLQYTDWMDD NNGIKNRDGL DDIVGDHNVI DATA SEQUENCE cPLMHFVNKY TKFGNGTYLY FFNHRASNLV WPEWMGVIHG YEIEFVFGLP DATA SEQUENCE LVKELNYTAE EEALSRRIMH YWATFAKTGN PNEPHSQESK WPLFTTKEQK DATA SEQUENCE FIDLNTEPMK VHQRLRVQMc VFWNQFLPKL LNAT 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 175.938 176.300 -0.604 0.000 2.045 2 D CA 0.000 53.808 54.000 -0.320 0.000 0.868 2 D CB 0.000 40.714 40.800 -0.143 0.000 0.688 3 H N -0.891 118.192 119.070 0.022 0.000 2.359 3 H HA 0.163 4.718 4.556 -0.001 0.000 0.166 3 H C -0.117 175.231 175.328 0.033 0.000 0.898 3 H CA 0.311 56.374 56.048 0.025 0.000 0.819 3 H CB 1.090 30.866 29.762 0.023 0.000 0.888 3 H HN 0.283 nan 8.280 nan 0.000 0.441 4 S N -0.017 115.780 115.700 0.162 0.000 2.595 4 S HA 0.233 4.702 4.470 -0.001 0.000 0.281 4 S C 0.745 175.418 174.600 0.122 0.000 1.117 4 S CA -0.467 57.807 58.200 0.123 0.000 0.873 4 S CB 2.885 66.154 63.200 0.116 0.000 1.108 4 S HN 0.327 nan 8.310 nan 0.000 0.477 5 E N 1.919 122.188 120.200 0.114 0.000 2.150 5 E HA -0.000 4.349 4.350 -0.001 0.000 0.193 5 E C 0.997 177.732 176.600 0.226 0.000 0.985 5 E CA 1.094 57.582 56.400 0.147 0.000 0.814 5 E CB -0.099 29.672 29.700 0.117 0.000 0.752 5 E HN 0.732 nan 8.360 nan 0.000 0.466 6 L N 0.910 122.236 121.223 0.172 0.000 2.592 6 L HA 0.175 4.515 4.340 -0.001 0.000 0.227 6 L C 0.118 177.186 176.870 0.330 0.000 1.127 6 L CA -0.369 54.571 54.840 0.167 0.000 0.884 6 L CB 0.335 42.390 42.059 -0.007 0.000 1.065 6 L HN 0.142 nan 8.230 nan 0.000 0.457 7 L N 0.606 122.000 121.223 0.285 0.000 2.305 7 L HA 0.575 4.914 4.340 -0.001 0.000 0.284 7 L C -0.718 176.256 176.870 0.173 0.000 1.013 7 L CA -0.311 54.683 54.840 0.256 0.000 0.819 7 L CB 1.697 43.862 42.059 0.178 0.000 1.227 7 L HN -0.317 nan 8.230 nan 0.000 0.417 8 V N 4.451 124.434 119.914 0.116 0.000 2.638 8 V HA 0.493 4.612 4.120 -0.001 0.000 0.306 8 V C -0.619 175.385 176.094 -0.150 0.000 1.052 8 V CA -0.792 61.406 62.300 -0.170 0.000 0.885 8 V CB 1.937 33.343 31.823 -0.694 0.000 0.999 8 V HN 0.769 nan 8.190 nan 0.000 0.424 9 N N 3.043 121.598 118.700 -0.241 0.000 2.426 9 N HA 0.493 5.232 4.740 -0.001 0.000 0.257 9 N C -0.178 175.000 175.510 -0.554 0.000 1.002 9 N CA -0.070 52.811 53.050 -0.282 0.000 0.942 9 N CB 1.585 39.917 38.487 -0.259 0.000 1.112 9 N HN 0.926 nan 8.380 nan 0.000 0.499 10 T N -0.013 114.311 114.554 -0.384 0.000 2.938 10 T HA 0.392 4.742 4.350 -0.001 0.000 0.285 10 T C 1.014 175.452 174.700 -0.437 0.000 1.028 10 T CA -0.620 61.214 62.100 -0.443 0.000 1.005 10 T CB 1.151 70.029 68.868 0.017 0.000 1.157 10 T HN 0.378 nan 8.240 nan 0.000 0.550 11 K N 0.276 120.465 120.400 -0.351 0.000 2.442 11 K HA 0.032 4.352 4.320 -0.001 0.000 0.198 11 K C 1.752 178.206 176.600 -0.243 0.000 1.042 11 K CA 0.739 56.872 56.287 -0.256 0.000 0.958 11 K CB -0.060 32.353 32.500 -0.145 0.000 0.766 11 K HN 0.427 nan 8.250 nan 0.000 0.474 12 S N -0.329 115.213 115.700 -0.264 0.000 2.511 12 S HA 0.200 4.670 4.470 -0.001 0.000 0.214 12 S C 0.516 174.423 174.600 -1.154 0.000 0.997 12 S CA 0.204 58.132 58.200 -0.453 0.000 0.908 12 S CB 1.067 64.203 63.200 -0.107 0.000 0.803 12 S HN 0.547 nan 8.310 nan 0.000 0.504 13 G N 1.100 109.410 108.800 -0.817 0.000 2.369 13 G HA2 0.130 4.089 3.960 -0.001 0.000 0.295 13 G HA3 0.130 4.089 3.960 -0.001 0.000 0.295 13 G C -1.855 172.973 174.900 -0.120 0.000 1.298 13 G CA -1.146 43.470 45.100 -0.808 0.000 0.940 13 G HN 0.097 nan 8.290 nan 0.000 0.536 14 K N -0.711 119.807 120.400 0.197 0.000 2.144 14 K HA 0.662 4.981 4.320 -0.001 0.000 0.270 14 K C -0.488 176.480 176.600 0.612 0.000 1.005 14 K CA -0.568 55.911 56.287 0.319 0.000 0.932 14 K CB 1.963 34.602 32.500 0.232 0.000 1.021 14 K HN 0.362 nan 8.250 nan 0.000 0.462 15 V N 2.949 123.150 119.914 0.479 0.000 2.709 15 V HA 0.334 4.453 4.120 -0.001 0.000 0.308 15 V C -1.056 175.336 176.094 0.498 0.000 1.062 15 V CA -0.940 61.704 62.300 0.573 0.000 0.901 15 V CB 1.840 34.050 31.823 0.645 0.000 1.003 15 V HN 0.714 nan 8.190 nan 0.000 0.425 16 M N 3.900 123.757 119.600 0.428 0.000 2.125 16 M HA 0.763 5.243 4.480 -0.001 0.000 0.321 16 M C 0.181 176.597 176.300 0.195 0.000 0.983 16 M CA 0.033 55.511 55.300 0.295 0.000 0.934 16 M CB 1.029 33.722 32.600 0.156 0.000 1.542 16 M HN 0.750 nan 8.290 nan 0.000 0.424 17 G N 1.641 110.430 108.800 -0.019 0.000 2.543 17 G HA2 0.615 4.575 3.960 -0.001 0.000 0.267 17 G HA3 0.615 4.575 3.960 -0.001 0.000 0.267 17 G C -1.044 173.651 174.900 -0.342 0.000 1.406 17 G CA -0.367 44.413 45.100 -0.534 0.000 1.048 17 G HN 0.671 nan 8.290 nan 0.000 0.548 18 T N -1.465 112.850 114.554 -0.398 0.000 2.916 18 T HA 0.513 4.863 4.350 -0.001 0.000 0.305 18 T C -0.659 173.918 174.700 -0.205 0.000 1.119 18 T CA -0.679 61.284 62.100 -0.229 0.000 1.008 18 T CB 1.481 70.241 68.868 -0.180 0.000 1.129 18 T HN 0.553 nan 8.240 nan 0.000 0.480 19 R N 2.942 123.371 120.500 -0.119 0.000 2.308 19 R HA 0.676 5.015 4.340 -0.001 0.000 0.305 19 R C -1.285 175.011 176.300 -0.008 0.000 1.053 19 R CA -0.374 55.691 56.100 -0.057 0.000 0.957 19 R CB 0.542 30.804 30.300 -0.063 0.000 1.022 19 R HN 0.447 nan 8.270 nan 0.000 0.461 20 V N 6.883 126.827 119.914 0.049 0.000 2.656 20 V HA 0.403 4.523 4.120 -0.001 0.000 0.307 20 V C -2.282 173.857 176.094 0.076 0.000 1.051 20 V CA -2.272 60.061 62.300 0.056 0.000 0.893 20 V CB 1.976 33.823 31.823 0.041 0.000 0.999 20 V HN 0.841 nan 8.190 nan 0.000 0.426 21 P HA 0.389 nan 4.420 nan 0.000 0.275 21 P C -1.180 175.969 177.300 -0.251 0.000 1.227 21 P CA -0.173 62.809 63.100 -0.195 0.000 0.781 21 P CB 0.865 32.496 31.700 -0.114 0.000 0.906 22 V N 4.420 124.091 119.914 -0.404 0.000 2.653 22 V HA 0.122 4.242 4.120 -0.001 0.000 0.298 22 V C 0.294 176.120 176.094 -0.446 0.000 1.097 22 V CA -0.801 61.267 62.300 -0.387 0.000 0.908 22 V CB 1.275 32.802 31.823 -0.494 0.000 1.024 22 V HN 0.480 nan 8.190 nan 0.000 0.435 23 L N 4.080 125.195 121.223 -0.180 0.000 3.954 23 L HA -0.299 4.040 4.340 -0.001 0.000 0.462 23 L C 1.109 177.876 176.870 -0.172 0.000 1.195 23 L CA 0.900 55.674 54.840 -0.110 0.000 0.739 23 L CB -1.738 40.333 42.059 0.019 0.000 1.599 23 L HN 1.073 nan 8.230 nan 0.000 0.838 24 S N -3.025 112.554 115.700 -0.202 0.000 2.857 24 S HA -0.207 4.262 4.470 -0.001 0.000 0.268 24 S C 0.453 174.906 174.600 -0.245 0.000 1.297 24 S CA 1.432 59.528 58.200 -0.173 0.000 1.280 24 S CB -0.652 62.507 63.200 -0.068 0.000 1.562 24 S HN 0.820 nan 8.310 nan 0.000 0.661 25 S N -0.251 115.184 115.700 -0.442 0.000 2.971 25 S HA 0.829 5.298 4.470 -0.001 0.000 0.320 25 S C -1.295 172.844 174.600 -0.769 0.000 1.111 25 S CA -0.575 57.372 58.200 -0.422 0.000 0.870 25 S CB 1.127 64.135 63.200 -0.319 0.000 1.331 25 S HN 0.454 nan 8.310 nan 0.000 0.635 26 H N -0.070 118.905 119.070 -0.157 0.000 3.037 26 H HA 0.639 5.194 4.556 -0.001 0.000 0.355 26 H C -0.816 174.504 175.328 -0.013 0.000 1.263 26 H CA -0.362 55.630 56.048 -0.094 0.000 1.129 26 H CB 1.423 31.162 29.762 -0.038 0.000 1.861 26 H HN 0.791 nan 8.280 nan 0.000 0.546 27 I N -2.000 118.660 120.570 0.150 0.000 3.263 27 I HA 0.558 4.728 4.170 -0.001 0.000 0.314 27 I C -0.915 175.288 176.117 0.142 0.000 1.269 27 I CA -0.937 60.470 61.300 0.179 0.000 0.942 27 I CB 2.356 40.493 38.000 0.228 0.000 1.305 27 I HN 0.320 nan 8.210 nan 0.000 0.474 28 S N 1.346 117.139 115.700 0.155 0.000 2.578 28 S HA 0.857 5.327 4.470 -0.001 0.000 0.283 28 S C -0.297 174.291 174.600 -0.020 0.000 1.195 28 S CA -0.533 57.680 58.200 0.021 0.000 1.050 28 S CB 1.561 64.811 63.200 0.084 0.000 1.012 28 S HN 0.898 nan 8.310 nan 0.000 0.511 29 A N 2.012 124.649 122.820 -0.306 0.000 2.374 29 A HA 0.774 5.094 4.320 -0.001 0.000 0.305 29 A C -1.384 175.870 177.584 -0.550 0.000 1.053 29 A CA -0.646 51.155 52.037 -0.394 0.000 0.726 29 A CB 0.474 19.237 19.000 -0.395 0.000 1.229 29 A HN 0.646 nan 8.150 nan 0.000 0.431 30 F N 2.861 122.677 119.950 -0.223 0.000 2.366 30 F HA 0.498 5.025 4.527 -0.001 0.000 0.366 30 F C -0.163 175.525 175.800 -0.187 0.000 1.096 30 F CA -0.380 57.575 58.000 -0.075 0.000 1.060 30 F CB 1.292 40.355 39.000 0.106 0.000 1.282 30 F HN 0.366 nan 8.300 nan 0.000 0.450 31 L N 2.023 123.214 121.223 -0.053 0.000 2.325 31 L HA 0.749 5.089 4.340 -0.001 0.000 0.278 31 L C 0.928 177.837 176.870 0.066 0.000 1.023 31 L CA -1.115 53.688 54.840 -0.061 0.000 0.811 31 L CB 1.609 43.556 42.059 -0.186 0.000 1.249 31 L HN 0.804 nan 8.230 nan 0.000 0.431 32 G N 2.802 111.659 108.800 0.097 0.000 2.272 32 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.280 32 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.280 32 G C -0.187 174.787 174.900 0.123 0.000 1.067 32 G CA -0.316 44.834 45.100 0.083 0.000 0.902 32 G HN 0.470 nan 8.290 nan 0.000 0.500 33 I N 2.030 122.601 120.570 0.001 0.000 2.416 33 I HA 0.251 4.421 4.170 -0.001 0.000 0.288 33 I C -1.386 174.505 176.117 -0.376 0.000 1.051 33 I CA -2.216 58.896 61.300 -0.313 0.000 1.375 33 I CB 1.238 39.051 38.000 -0.311 0.000 1.407 33 I HN 0.004 nan 8.210 nan 0.000 0.516 34 P HA 0.068 nan 4.420 nan 0.000 0.280 34 P C -0.356 176.576 177.300 -0.614 0.000 1.244 34 P CA -0.028 62.577 63.100 -0.826 0.000 0.784 34 P CB 0.718 31.858 31.700 -0.932 0.000 0.913 35 F N 0.690 120.307 119.950 -0.555 0.000 2.746 35 F HA 0.731 5.258 4.527 -0.001 0.000 0.320 35 F C -0.066 175.635 175.800 -0.165 0.000 1.097 35 F CA -0.947 56.796 58.000 -0.429 0.000 1.195 35 F CB 0.014 38.739 39.000 -0.459 0.000 1.056 35 F HN 0.362 nan 8.300 nan 0.000 0.562 36 A N 0.041 122.588 122.820 -0.455 0.000 2.594 36 A HA 0.632 4.952 4.320 -0.001 0.000 0.291 36 A C -0.920 176.502 177.584 -0.271 0.000 1.105 36 A CA -0.750 51.148 52.037 -0.232 0.000 0.694 36 A CB 1.079 19.930 19.000 -0.247 0.000 1.291 36 A HN 0.050 nan 8.150 nan 0.000 0.410 37 E N 0.976 121.102 120.200 -0.124 0.000 2.373 37 E HA 0.293 4.643 4.350 -0.001 0.000 0.267 37 E C -2.351 174.165 176.600 -0.139 0.000 1.032 37 E CA -1.482 54.861 56.400 -0.095 0.000 0.889 37 E CB 0.191 29.876 29.700 -0.025 0.000 0.984 37 E HN 0.234 nan 8.360 nan 0.000 0.425 38 P HA -0.018 nan 4.420 nan 0.000 0.260 38 P C -2.203 175.044 177.300 -0.088 0.000 1.185 38 P CA -0.552 62.479 63.100 -0.114 0.000 0.763 38 P CB 0.005 31.676 31.700 -0.050 0.000 0.776 39 P HA 0.018 nan 4.420 nan 0.000 0.218 39 P C -0.335 176.914 177.300 -0.085 0.000 1.793 39 P CA 0.085 63.138 63.100 -0.078 0.000 0.941 39 P CB -0.056 31.601 31.700 -0.073 0.000 1.919 40 V N -2.465 117.406 119.914 -0.072 0.000 2.994 40 V HA 0.901 5.020 4.120 -0.001 0.000 0.318 40 V C 0.921 176.978 176.094 -0.062 0.000 1.085 40 V CA 0.150 62.406 62.300 -0.073 0.000 0.998 40 V CB 0.827 32.616 31.823 -0.057 0.000 1.063 40 V HN 0.554 nan 8.190 nan 0.000 0.447 41 G N 2.378 111.139 108.800 -0.066 0.000 2.591 41 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.298 41 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.298 41 G C 0.517 175.382 174.900 -0.058 0.000 1.195 41 G CA 0.886 45.954 45.100 -0.052 0.000 0.989 41 G HN 1.071 nan 8.290 nan 0.000 0.551 42 N N 0.574 119.258 118.700 -0.026 0.000 2.573 42 N HA 0.108 4.848 4.740 -0.001 0.000 0.187 42 N C 2.156 177.660 175.510 -0.010 0.000 1.107 42 N CA 1.163 54.210 53.050 -0.005 0.000 0.918 42 N CB -0.129 38.370 38.487 0.020 0.000 0.966 42 N HN 0.536 nan 8.380 nan 0.000 0.448 43 M N -0.319 119.262 119.600 -0.031 0.000 2.556 43 M HA 0.050 4.530 4.480 -0.001 0.000 0.245 43 M C 0.618 176.876 176.300 -0.071 0.000 1.128 43 M CA -0.067 55.215 55.300 -0.029 0.000 1.069 43 M CB 0.387 32.971 32.600 -0.026 0.000 1.469 43 M HN -0.036 nan 8.290 nan 0.000 0.494 44 R N 0.685 121.090 120.500 -0.158 0.000 2.538 44 R HA -0.078 4.262 4.340 -0.001 0.000 0.282 44 R C -0.459 175.616 176.300 -0.375 0.000 1.009 44 R CA 0.716 56.593 56.100 -0.373 0.000 1.063 44 R CB 0.150 30.100 30.300 -0.582 0.000 0.945 44 R HN 0.259 nan 8.270 nan 0.000 0.414 45 F N -0.508 119.444 119.950 0.004 0.000 2.502 45 F HA -0.278 4.249 4.527 -0.001 0.000 0.480 45 F C 0.582 176.365 175.800 -0.027 0.000 0.543 45 F CA 0.857 58.834 58.000 -0.038 0.000 1.350 45 F CB -1.456 37.508 39.000 -0.061 0.000 1.999 45 F HN 0.634 nan 8.300 nan 0.000 0.267 46 R N 1.216 121.783 120.500 0.112 0.000 2.577 46 R HA 0.488 4.827 4.340 -0.001 0.000 0.269 46 R C 0.708 177.038 176.300 0.050 0.000 1.084 46 R CA -0.782 55.363 56.100 0.075 0.000 1.163 46 R CB 0.574 30.903 30.300 0.049 0.000 1.100 46 R HN 0.092 nan 8.270 nan 0.000 0.547 47 R N 2.026 122.556 120.500 0.050 0.000 2.756 47 R HA 0.052 4.392 4.340 -0.001 0.000 0.264 47 R C -1.902 174.425 176.300 0.046 0.000 1.026 47 R CA -0.967 55.163 56.100 0.050 0.000 1.121 47 R CB -0.111 30.223 30.300 0.057 0.000 0.999 47 R HN 0.428 nan 8.270 nan 0.000 0.449 48 P HA 0.076 nan 4.420 nan 0.000 0.274 48 P C -0.918 176.418 177.300 0.060 0.000 1.231 48 P CA -0.026 63.107 63.100 0.055 0.000 0.790 48 P CB 0.896 32.653 31.700 0.096 0.000 0.951 49 E N 1.673 121.899 120.200 0.043 0.000 2.212 49 E HA 0.425 4.775 4.350 -0.001 0.000 0.268 49 E C -2.348 174.291 176.600 0.064 0.000 0.902 49 E CA -2.384 54.046 56.400 0.051 0.000 0.779 49 E CB 0.741 30.462 29.700 0.035 0.000 1.172 49 E HN 0.311 nan 8.360 nan 0.000 0.409 50 P HA -0.010 nan 4.420 nan 0.000 0.268 50 P C -0.336 177.025 177.300 0.103 0.000 1.208 50 P CA -0.199 62.977 63.100 0.127 0.000 0.777 50 P CB 0.461 32.239 31.700 0.129 0.000 0.875 51 K N 3.031 123.507 120.400 0.126 0.000 2.339 51 K HA 0.089 4.409 4.320 -0.001 0.000 0.286 51 K C -0.272 176.427 176.600 0.166 0.000 1.050 51 K CA 0.093 56.450 56.287 0.115 0.000 0.956 51 K CB -0.084 32.481 32.500 0.108 0.000 0.990 51 K HN 0.220 nan 8.250 nan 0.000 0.475 52 K N 6.016 126.506 120.400 0.150 0.000 2.484 52 K HA 0.065 4.384 4.320 -0.001 0.000 0.280 52 K C -2.155 174.554 176.600 0.182 0.000 1.013 52 K CA -1.367 55.003 56.287 0.139 0.000 1.029 52 K CB -0.033 32.545 32.500 0.130 0.000 0.902 52 K HN 0.518 nan 8.250 nan 0.000 0.481 53 P HA -0.050 nan 4.420 nan 0.000 0.268 53 P C -1.190 176.128 177.300 0.030 0.000 1.208 53 P CA -0.083 62.943 63.100 -0.123 0.000 0.777 53 P CB 0.293 31.879 31.700 -0.190 0.000 0.875 54 W N 0.281 121.667 121.300 0.144 0.000 2.781 54 W HA 0.730 5.389 4.660 -0.001 0.000 0.345 54 W C -0.865 175.736 176.519 0.137 0.000 1.085 54 W CA -0.781 56.664 57.345 0.167 0.000 1.198 54 W CB 0.151 29.781 29.460 0.283 0.000 1.423 54 W HN 0.102 nan 8.180 nan 0.000 0.532 55 S N 1.209 117.103 115.700 0.323 0.000 2.652 55 S HA 0.732 5.202 4.470 -0.001 0.000 0.270 55 S C 0.488 175.287 174.600 0.331 0.000 1.243 55 S CA 0.665 58.993 58.200 0.213 0.000 0.999 55 S CB 0.793 64.077 63.200 0.141 0.000 0.973 55 S HN 1.478 nan 8.310 nan 0.000 0.544 56 G N 0.114 109.051 108.800 0.230 0.000 2.741 56 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.222 56 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.222 56 G C -0.906 174.193 174.900 0.333 0.000 1.364 56 G CA -0.511 44.722 45.100 0.222 0.000 0.866 56 G HN 0.898 nan 8.290 nan 0.000 0.555 57 V N 1.049 121.105 119.914 0.238 0.000 2.370 57 V HA 0.461 4.581 4.120 -0.001 0.000 0.279 57 V C 0.419 176.629 176.094 0.194 0.000 1.029 57 V CA -0.498 61.965 62.300 0.272 0.000 0.870 57 V CB 1.673 33.596 31.823 0.167 0.000 0.984 57 V HN 0.684 nan 8.190 nan 0.000 0.451 58 W N 5.633 127.029 121.300 0.160 0.000 2.304 58 W HA 0.205 4.865 4.660 -0.001 0.000 0.313 58 W C 0.295 176.810 176.519 -0.006 0.000 1.323 58 W CA -0.464 56.811 57.345 -0.116 0.000 1.223 58 W CB 0.800 30.026 29.460 -0.391 0.000 1.237 58 W HN 0.610 nan 8.180 nan 0.000 0.535 59 N N 4.812 123.283 118.700 -0.382 0.000 2.402 59 N HA 0.159 4.898 4.740 -0.001 0.000 0.259 59 N C -0.394 175.144 175.510 0.046 0.000 1.167 59 N CA 0.227 53.189 53.050 -0.147 0.000 0.949 59 N CB 0.762 39.098 38.487 -0.253 0.000 1.212 59 N HN 0.378 nan 8.380 nan 0.000 0.493 60 A N 2.766 125.713 122.820 0.212 0.000 3.264 60 A HA 0.191 4.511 4.320 -0.001 0.000 0.299 60 A C 1.097 178.699 177.584 0.031 0.000 1.272 60 A CA -0.415 51.762 52.037 0.233 0.000 1.030 60 A CB -0.454 18.777 19.000 0.386 0.000 1.102 60 A HN 0.627 nan 8.150 nan 0.000 0.615 61 S N -0.947 114.733 115.700 -0.035 0.000 2.511 61 S HA 0.156 4.626 4.470 -0.001 0.000 0.214 61 S C 0.777 175.293 174.600 -0.139 0.000 0.997 61 S CA 0.625 58.760 58.200 -0.109 0.000 0.908 61 S CB -0.228 62.913 63.200 -0.098 0.000 0.803 61 S HN 0.827 nan 8.310 nan 0.000 0.504 62 T N -1.025 113.465 114.554 -0.107 0.000 2.903 62 T HA 0.636 4.986 4.350 -0.001 0.000 0.299 62 T C -0.849 173.825 174.700 -0.042 0.000 1.093 62 T CA -0.781 61.248 62.100 -0.118 0.000 1.002 62 T CB 0.697 69.519 68.868 -0.076 0.000 1.127 62 T HN 0.051 nan 8.240 nan 0.000 0.488 63 Y N 2.778 123.051 120.300 -0.046 0.000 2.683 63 Y HA 0.298 4.848 4.550 -0.001 0.000 0.340 63 Y C -1.348 174.493 175.900 -0.100 0.000 1.245 63 Y CA -1.208 56.866 58.100 -0.044 0.000 1.485 63 Y CB -0.011 38.444 38.460 -0.007 0.000 1.328 63 Y HN 0.549 nan 8.280 nan 0.000 0.603 64 P HA 0.122 nan 4.420 nan 0.000 0.282 64 P C -0.663 176.561 177.300 -0.126 0.000 1.287 64 P CA -0.554 62.423 63.100 -0.205 0.000 0.792 64 P CB 0.953 32.433 31.700 -0.367 0.000 1.163 65 N N 0.097 118.695 118.700 -0.169 0.000 2.399 65 N HA 0.117 4.857 4.740 -0.001 0.000 0.250 65 N C 0.011 175.495 175.510 -0.044 0.000 1.272 65 N CA 0.185 53.184 53.050 -0.085 0.000 0.928 65 N CB -0.191 38.255 38.487 -0.067 0.000 1.158 65 N HN 0.416 nan 8.380 nan 0.000 0.463 66 N N -0.874 117.792 118.700 -0.057 0.000 2.466 66 N HA 0.328 5.068 4.740 -0.001 0.000 0.294 66 N C -0.470 175.004 175.510 -0.059 0.000 1.129 66 N CA -0.710 52.302 53.050 -0.063 0.000 0.931 66 N CB 1.117 39.541 38.487 -0.104 0.000 1.193 66 N HN 0.399 nan 8.380 nan 0.000 0.500 67 c N 1.120 119.688 118.600 -0.052 0.000 2.700 67 c HA 0.039 4.608 4.570 -0.001 0.000 0.397 67 c C 0.677 174.694 174.090 -0.122 0.000 1.301 67 c CA -0.542 55.737 56.329 -0.082 0.000 2.219 67 c CB -0.130 42.359 42.510 -0.035 0.000 2.699 67 c HN 0.531 nan 8.230 nan 0.000 0.669 68 Q N 2.429 122.076 119.800 -0.254 0.000 2.300 68 Q HA 0.216 4.556 4.340 -0.001 0.000 0.280 68 Q C -0.065 175.913 176.000 -0.037 0.000 1.033 68 Q CA 0.963 56.608 55.803 -0.263 0.000 0.903 68 Q CB 0.488 28.819 28.738 -0.679 0.000 1.195 68 Q HN 0.879 nan 8.270 nan 0.000 0.386 69 Q N 1.356 121.210 119.800 0.090 0.000 2.522 69 Q HA 0.296 4.635 4.340 -0.001 0.000 0.285 69 Q C -1.315 174.867 176.000 0.303 0.000 0.982 69 Q CA -1.003 54.949 55.803 0.248 0.000 0.805 69 Q CB 0.737 29.585 28.738 0.184 0.000 1.457 69 Q HN 0.480 nan 8.270 nan 0.000 0.394 70 Y N 1.161 121.667 120.300 0.343 0.000 2.610 70 Y HA 0.313 4.863 4.550 -0.001 0.000 0.332 70 Y C -0.936 175.135 175.900 0.284 0.000 1.201 70 Y CA 0.384 58.701 58.100 0.361 0.000 1.465 70 Y CB 0.827 39.616 38.460 0.549 0.000 1.283 70 Y HN 0.450 nan 8.280 nan 0.000 0.563 71 V N 6.628 126.327 119.914 -0.360 0.000 2.459 71 V HA 0.126 4.246 4.120 -0.001 0.000 0.295 71 V C -0.492 175.429 176.094 -0.288 0.000 1.029 71 V CA -1.050 61.138 62.300 -0.187 0.000 0.874 71 V CB 1.528 33.275 31.823 -0.126 0.000 0.985 71 V HN 0.741 nan 8.190 nan 0.000 0.438 72 D N 3.648 124.079 120.400 0.051 0.000 2.371 72 D HA 0.131 4.771 4.640 -0.001 0.000 0.256 72 D C 0.515 176.886 176.300 0.118 0.000 1.193 72 D CA 0.307 54.420 54.000 0.189 0.000 0.881 72 D CB 0.940 41.935 40.800 0.326 0.000 1.143 72 D HN 0.686 nan 8.370 nan 0.000 0.473 73 E N 2.446 122.688 120.200 0.070 0.000 2.758 73 E HA 0.012 4.362 4.350 -0.001 0.000 0.215 73 E C 1.038 177.619 176.600 -0.032 0.000 0.985 73 E CA -0.272 56.145 56.400 0.027 0.000 1.102 73 E CB 0.673 30.359 29.700 -0.024 0.000 1.042 73 E HN 0.423 nan 8.360 nan 0.000 0.480 74 Q N -0.481 119.272 119.800 -0.079 0.000 2.124 74 Q HA -0.070 4.269 4.340 -0.001 0.000 0.202 74 Q C 0.064 175.588 176.000 -0.793 0.000 0.977 74 Q CA 1.183 56.681 55.803 -0.509 0.000 0.850 74 Q CB 0.170 28.422 28.738 -0.809 0.000 0.901 74 Q HN 0.231 nan 8.270 nan 0.000 0.429 75 F N 0.023 120.053 119.950 0.133 0.000 2.584 75 F HA 0.346 4.872 4.527 -0.001 0.000 0.328 75 F C -2.155 173.732 175.800 0.145 0.000 1.407 75 F CA -2.891 55.170 58.000 0.101 0.000 1.145 75 F CB 0.888 39.948 39.000 0.101 0.000 1.440 75 F HN -0.201 nan 8.300 nan 0.000 0.580 76 P HA 0.061 nan 4.420 nan 0.000 0.259 76 P C 1.074 178.467 177.300 0.155 0.000 1.163 76 P CA 1.633 64.814 63.100 0.135 0.000 0.760 76 P CB 0.509 32.252 31.700 0.071 0.000 0.762 77 G N 2.800 111.678 108.800 0.130 0.000 2.245 77 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.264 77 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.264 77 G C 0.141 175.110 174.900 0.116 0.000 0.985 77 G CA -0.257 44.900 45.100 0.094 0.000 0.625 77 G HN 0.557 nan 8.290 nan 0.000 0.536 78 F N 3.288 123.246 119.950 0.013 0.000 2.541 78 F HA 0.466 4.992 4.527 -0.001 0.000 0.378 78 F C 1.734 177.471 175.800 -0.105 0.000 1.068 78 F CA 0.066 58.021 58.000 -0.076 0.000 1.199 78 F CB 0.999 39.952 39.000 -0.077 0.000 1.091 78 F HN 0.274 nan 8.300 nan 0.000 0.555 79 S N 3.540 118.820 115.700 -0.701 0.000 2.399 79 S HA -0.104 4.366 4.470 -0.001 0.000 0.231 79 S C 2.233 176.414 174.600 -0.699 0.000 1.022 79 S CA 0.851 58.697 58.200 -0.591 0.000 0.983 79 S CB -1.250 61.650 63.200 -0.502 0.000 0.803 79 S HN 0.840 nan 8.310 nan 0.000 0.480 80 G N 1.876 109.801 108.800 -1.458 0.000 2.469 80 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.219 80 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.219 80 G C 1.749 176.818 174.900 0.281 0.000 1.150 80 G CA 1.477 45.992 45.100 -0.974 0.000 0.763 80 G HN 0.828 nan 8.290 nan 0.000 0.561 81 S N -0.410 115.539 115.700 0.415 0.000 2.475 81 S HA 0.150 4.619 4.470 -0.001 0.000 0.224 81 S C 1.889 176.767 174.600 0.463 0.000 1.042 81 S CA 0.989 59.708 58.200 0.865 0.000 0.935 81 S CB 0.188 64.028 63.200 1.066 0.000 0.801 81 S HN 0.232 nan 8.310 nan 0.000 0.509 82 E N 2.681 122.994 120.200 0.189 0.000 2.153 82 E HA -0.082 4.267 4.350 -0.001 0.000 0.194 82 E C 2.117 178.672 176.600 -0.075 0.000 0.988 82 E CA 1.518 57.952 56.400 0.058 0.000 0.811 82 E CB -0.619 29.072 29.700 -0.014 0.000 0.746 82 E HN 0.832 nan 8.360 nan 0.000 0.466 83 M N -2.156 117.303 119.600 -0.235 0.000 2.530 83 M HA -0.092 4.387 4.480 -0.001 0.000 0.261 83 M C 1.028 176.951 176.300 -0.629 0.000 1.067 83 M CA 1.342 56.347 55.300 -0.492 0.000 1.071 83 M CB -0.426 31.759 32.600 -0.692 0.000 1.405 83 M HN 0.055 nan 8.290 nan 0.000 0.478 84 W N 0.772 122.036 121.300 -0.061 0.000 3.013 84 W HA 0.272 4.931 4.660 -0.001 0.000 0.280 84 W C 0.584 177.032 176.519 -0.118 0.000 1.249 84 W CA -0.899 56.381 57.345 -0.110 0.000 1.577 84 W CB -0.022 29.413 29.460 -0.042 0.000 1.057 84 W HN 0.104 nan 8.180 nan 0.000 0.613 85 N N 1.434 120.189 118.700 0.092 0.000 2.444 85 N HA 0.123 4.862 4.740 -0.001 0.000 0.255 85 N C -2.470 173.013 175.510 -0.046 0.000 1.255 85 N CA -1.302 51.771 53.050 0.038 0.000 0.933 85 N CB -0.139 38.375 38.487 0.046 0.000 1.143 85 N HN -0.362 nan 8.380 nan 0.000 0.453 86 P HA 0.035 nan 4.420 nan 0.000 0.264 86 P C 0.194 177.443 177.300 -0.085 0.000 1.193 86 P CA 0.103 63.150 63.100 -0.088 0.000 0.763 86 P CB 0.272 31.932 31.700 -0.068 0.000 0.810 87 N N 2.390 121.025 118.700 -0.108 0.000 2.204 87 N HA 0.081 4.821 4.740 -0.001 0.000 0.219 87 N C 0.204 175.675 175.510 -0.065 0.000 1.151 87 N CA 0.067 53.064 53.050 -0.088 0.000 0.867 87 N CB 0.374 38.797 38.487 -0.106 0.000 1.043 87 N HN 0.161 nan 8.380 nan 0.000 0.516 88 R N 0.312 120.770 120.500 -0.072 0.000 2.888 88 R HA 0.285 4.625 4.340 -0.001 0.000 0.264 88 R C -0.547 175.721 176.300 -0.054 0.000 1.045 88 R CA -0.674 55.394 56.100 -0.053 0.000 0.962 88 R CB 1.400 31.664 30.300 -0.059 0.000 1.210 88 R HN 0.309 nan 8.270 nan 0.000 0.479 89 E N 1.508 121.679 120.200 -0.048 0.000 2.415 89 E HA 0.057 4.406 4.350 -0.001 0.000 0.262 89 E C -0.451 176.115 176.600 -0.057 0.000 1.038 89 E CA 0.081 56.452 56.400 -0.049 0.000 0.921 89 E CB 0.674 30.347 29.700 -0.046 0.000 0.950 89 E HN 0.262 nan 8.360 nan 0.000 0.438 90 M N 2.427 121.993 119.600 -0.058 0.000 2.342 90 M HA 0.267 4.747 4.480 -0.001 0.000 0.332 90 M C -0.178 176.073 176.300 -0.080 0.000 1.166 90 M CA -0.179 55.079 55.300 -0.071 0.000 1.086 90 M CB 1.698 34.256 32.600 -0.070 0.000 1.541 90 M HN 0.447 nan 8.290 nan 0.000 0.462 91 S N 0.106 115.745 115.700 -0.101 0.000 2.565 91 S HA 0.211 4.681 4.470 -0.001 0.000 0.274 91 S C -0.079 174.430 174.600 -0.152 0.000 1.144 91 S CA -0.678 57.458 58.200 -0.107 0.000 0.849 91 S CB 1.446 64.611 63.200 -0.059 0.000 1.103 91 S HN 0.831 nan 8.310 nan 0.000 0.455 92 E N 0.851 120.940 120.200 -0.185 0.000 2.347 92 E HA -0.059 4.291 4.350 -0.001 0.000 0.196 92 E C -0.308 176.220 176.600 -0.120 0.000 1.008 92 E CA 0.447 56.712 56.400 -0.225 0.000 0.852 92 E CB 0.107 29.671 29.700 -0.227 0.000 0.783 92 E HN 0.514 nan 8.360 nan 0.000 0.505 93 D N 0.541 120.907 120.400 -0.056 0.000 2.483 93 D HA -0.004 4.636 4.640 -0.001 0.000 0.220 93 D C 0.023 176.398 176.300 0.126 0.000 1.173 93 D CA -0.310 53.699 54.000 0.014 0.000 0.964 93 D CB -0.066 40.767 40.800 0.054 0.000 1.046 93 D HN 0.125 nan 8.370 nan 0.000 0.517 94 c N 2.489 121.125 118.600 0.060 0.000 3.626 94 c HA 0.400 4.970 4.570 -0.001 0.000 0.276 94 c C 0.519 174.648 174.090 0.065 0.000 1.694 94 c CA -0.713 55.714 56.329 0.162 0.000 1.785 94 c CB -1.327 41.209 42.510 0.044 0.000 3.152 94 c HN 0.418 nan 8.230 nan 0.000 0.571 95 L N 2.652 123.650 121.223 -0.375 0.000 2.375 95 L HA 0.442 4.781 4.340 -0.001 0.000 0.276 95 L C -0.897 175.147 176.870 -1.377 0.000 1.162 95 L CA 0.415 54.782 54.840 -0.789 0.000 0.991 95 L CB -0.516 40.986 42.059 -0.929 0.000 1.315 95 L HN 0.373 nan 8.230 nan 0.000 0.431 96 Y N 2.194 122.298 120.300 -0.326 0.000 2.609 96 Y HA 0.676 5.225 4.550 -0.001 0.000 0.342 96 Y C -0.154 175.874 175.900 0.213 0.000 1.058 96 Y CA -1.296 56.716 58.100 -0.146 0.000 1.055 96 Y CB 1.917 40.318 38.460 -0.100 0.000 1.292 96 Y HN 0.213 nan 8.280 nan 0.000 0.476 97 L N -0.172 121.224 121.223 0.287 0.000 2.350 97 L HA 0.788 5.128 4.340 -0.001 0.000 0.260 97 L C -1.327 175.602 176.870 0.097 0.000 1.015 97 L CA -1.091 53.871 54.840 0.203 0.000 0.821 97 L CB 1.913 44.022 42.059 0.083 0.000 1.370 97 L HN 0.471 nan 8.230 nan 0.000 0.416 98 N N 1.615 120.375 118.700 0.101 0.000 2.238 98 N HA 0.714 5.454 4.740 -0.001 0.000 0.302 98 N C -1.357 174.089 175.510 -0.107 0.000 1.072 98 N CA -0.215 52.803 53.050 -0.054 0.000 0.792 98 N CB 2.737 41.193 38.487 -0.051 0.000 1.425 98 N HN 0.665 nan 8.380 nan 0.000 0.478 99 I N 0.490 120.915 120.570 -0.241 0.000 2.499 99 I HA 0.378 4.548 4.170 -0.001 0.000 0.288 99 I C -0.725 175.345 176.117 -0.078 0.000 1.048 99 I CA -0.709 60.543 61.300 -0.079 0.000 1.062 99 I CB 2.161 40.039 38.000 -0.203 0.000 1.238 99 I HN 0.236 nan 8.210 nan 0.000 0.426 100 W N 5.977 127.411 121.300 0.223 0.000 2.376 100 W HA 0.557 5.216 4.660 -0.001 0.000 0.312 100 W C -0.945 175.716 176.519 0.235 0.000 1.060 100 W CA -0.643 56.831 57.345 0.215 0.000 1.221 100 W CB 2.090 31.645 29.460 0.158 0.000 1.281 100 W HN 0.103 nan 8.180 nan 0.000 0.456 101 V N 5.970 126.150 119.914 0.444 0.000 2.448 101 V HA 0.280 4.400 4.120 -0.001 0.000 0.295 101 V C -1.707 174.585 176.094 0.330 0.000 1.025 101 V CA -2.226 60.309 62.300 0.392 0.000 0.859 101 V CB 1.805 33.923 31.823 0.492 0.000 0.988 101 V HN 0.265 nan 8.190 nan 0.000 0.431 102 P HA 0.081 nan 4.420 nan 0.000 0.269 102 P C -0.464 176.970 177.300 0.224 0.000 1.217 102 P CA 0.092 63.338 63.100 0.243 0.000 0.783 102 P CB 0.792 32.605 31.700 0.188 0.000 0.898 103 S N 0.918 116.745 115.700 0.212 0.000 2.561 103 S HA 0.567 5.037 4.470 -0.001 0.000 0.303 103 S C -2.576 172.118 174.600 0.155 0.000 1.110 103 S CA -1.509 56.798 58.200 0.178 0.000 1.034 103 S CB -0.123 63.180 63.200 0.172 0.000 1.010 103 S HN 0.173 nan 8.310 nan 0.000 0.482 104 P HA 0.181 nan 4.420 nan 0.000 0.267 104 P C -0.517 176.861 177.300 0.129 0.000 1.200 104 P CA -0.403 62.766 63.100 0.115 0.000 0.772 104 P CB 0.319 32.072 31.700 0.088 0.000 0.855 105 R N 3.857 124.441 120.500 0.139 0.000 2.486 105 R HA 0.047 4.387 4.340 -0.001 0.000 0.303 105 R C -1.814 174.558 176.300 0.119 0.000 0.958 105 R CA -0.946 55.248 56.100 0.156 0.000 1.077 105 R CB -0.209 30.186 30.300 0.159 0.000 0.921 105 R HN 0.401 nan 8.270 nan 0.000 0.406 106 P HA 0.044 nan 4.420 nan 0.000 0.274 106 P C -0.542 176.799 177.300 0.068 0.000 1.260 106 P CA -0.259 62.894 63.100 0.088 0.000 0.793 106 P CB 0.744 32.499 31.700 0.091 0.000 1.048 107 K N -0.753 119.673 120.400 0.044 0.000 2.214 107 K HA 0.133 4.453 4.320 -0.001 0.000 0.201 107 K C 0.782 177.385 176.600 0.004 0.000 1.049 107 K CA 0.819 57.119 56.287 0.022 0.000 0.978 107 K CB -0.256 32.252 32.500 0.013 0.000 0.842 107 K HN 0.407 nan 8.250 nan 0.000 0.474 108 S N 0.968 116.673 115.700 0.008 0.000 2.777 108 S HA 0.137 4.607 4.470 -0.001 0.000 0.140 108 S C -1.128 173.475 174.600 0.005 0.000 1.233 108 S CA -0.342 57.853 58.200 -0.008 0.000 1.157 108 S CB 0.322 63.507 63.200 -0.026 0.000 1.600 108 S HN 0.135 nan 8.310 nan 0.000 0.432 109 T N 1.851 116.420 114.554 0.024 0.000 2.952 109 T HA 0.567 4.917 4.350 -0.001 0.000 0.286 109 T C 0.168 174.886 174.700 0.030 0.000 1.024 109 T CA -0.028 62.090 62.100 0.030 0.000 1.029 109 T CB 1.177 70.075 68.868 0.050 0.000 1.094 109 T HN 0.423 nan 8.240 nan 0.000 0.515 110 T N 2.504 117.071 114.554 0.023 0.000 2.923 110 T HA 0.235 4.584 4.350 -0.001 0.000 0.304 110 T C -0.227 174.500 174.700 0.045 0.000 1.044 110 T CA -0.027 62.084 62.100 0.018 0.000 1.141 110 T CB 0.045 68.914 68.868 0.001 0.000 1.023 110 T HN 0.406 nan 8.240 nan 0.000 0.533 111 V N 5.315 125.260 119.914 0.052 0.000 2.555 111 V HA 0.507 4.627 4.120 -0.001 0.000 0.302 111 V C 0.010 176.163 176.094 0.099 0.000 1.038 111 V CA -0.760 61.594 62.300 0.089 0.000 0.887 111 V CB 1.742 33.621 31.823 0.093 0.000 0.991 111 V HN 0.831 nan 8.190 nan 0.000 0.434 112 M N 4.537 124.222 119.600 0.142 0.000 2.197 112 M HA 0.552 5.031 4.480 -0.001 0.000 0.301 112 M C -1.300 175.238 176.300 0.395 0.000 0.987 112 M CA -0.635 54.769 55.300 0.173 0.000 0.921 112 M CB 2.217 34.802 32.600 -0.026 0.000 1.569 112 M HN 0.354 nan 8.290 nan 0.000 0.431 113 V N 3.211 123.396 119.914 0.452 0.000 2.357 113 V HA 0.328 4.448 4.120 -0.001 0.000 0.284 113 V C -0.775 175.633 176.094 0.523 0.000 1.018 113 V CA -0.619 61.935 62.300 0.423 0.000 0.841 113 V CB 1.392 33.338 31.823 0.204 0.000 0.991 113 V HN 0.862 nan 8.190 nan 0.000 0.437 114 W N 7.057 128.481 121.300 0.207 0.000 2.351 114 W HA 0.602 5.262 4.660 -0.001 0.000 0.311 114 W C -1.262 175.158 176.519 -0.164 0.000 1.168 114 W CA -0.765 56.428 57.345 -0.253 0.000 1.200 114 W CB 1.171 30.492 29.460 -0.233 0.000 1.221 114 W HN 0.441 nan 8.180 nan 0.000 0.519 115 I N 9.431 129.400 120.570 -1.002 0.000 2.359 115 I HA 0.054 4.223 4.170 -0.001 0.000 0.284 115 I C -0.146 175.219 176.117 -1.253 0.000 1.018 115 I CA -1.106 59.679 61.300 -0.858 0.000 1.173 115 I CB 0.487 38.150 38.000 -0.562 0.000 1.326 115 I HN 0.305 nan 8.210 nan 0.000 0.462 116 Y N 4.760 124.595 120.300 -0.775 0.000 2.511 116 Y HA 0.621 5.171 4.550 -0.001 0.000 0.347 116 Y C 0.722 176.470 175.900 -0.254 0.000 1.257 116 Y CA -0.814 56.956 58.100 -0.551 0.000 1.469 116 Y CB -0.067 38.324 38.460 -0.115 0.000 1.353 116 Y HN 0.511 nan 8.280 nan 0.000 0.617 117 G N -0.834 108.017 108.800 0.085 0.000 2.671 117 G HA2 0.510 4.470 3.960 -0.001 0.000 0.275 117 G HA3 0.510 4.470 3.960 -0.001 0.000 0.275 117 G C 0.177 175.061 174.900 -0.026 0.000 1.368 117 G CA -0.956 44.119 45.100 -0.041 0.000 1.044 117 G HN 1.705 nan 8.290 nan 0.000 0.543 118 G N -2.742 105.881 108.800 -0.296 0.000 2.321 118 G HA2 0.421 4.381 3.960 -0.001 0.000 0.219 118 G HA3 0.421 4.381 3.960 -0.001 0.000 0.219 118 G C 0.987 175.419 174.900 -0.781 0.000 1.057 118 G CA 0.699 45.500 45.100 -0.499 0.000 0.849 118 G HN 2.277 nan 8.290 nan 0.000 0.520 119 G N -0.407 107.932 108.800 -0.768 0.000 2.233 119 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.270 119 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.270 119 G C 0.944 175.678 174.900 -0.277 0.000 1.011 119 G CA 0.837 45.372 45.100 -0.943 0.000 0.762 119 G HN 1.748 nan 8.290 nan 0.000 0.511 120 F N -3.529 116.372 119.950 -0.081 0.000 2.825 120 F HA -0.314 4.213 4.527 -0.001 0.000 0.358 120 F C 1.456 177.396 175.800 0.232 0.000 0.639 120 F CA 2.184 60.236 58.000 0.087 0.000 1.153 120 F CB -2.037 36.877 39.000 -0.144 0.000 1.610 120 F HN 0.910 nan 8.300 nan 0.000 0.305 121 Y N -0.950 119.460 120.300 0.184 0.000 2.500 121 Y HA 0.668 5.218 4.550 -0.001 0.000 0.246 121 Y C 0.569 176.590 175.900 0.202 0.000 1.146 121 Y CA 0.205 58.435 58.100 0.217 0.000 1.230 121 Y CB -0.004 38.529 38.460 0.121 0.000 1.214 121 Y HN 0.105 nan 8.280 nan 0.000 0.526 122 S N -0.889 114.706 115.700 -0.176 0.000 2.727 122 S HA 0.879 5.348 4.470 -0.001 0.000 0.278 122 S C -0.244 174.239 174.600 -0.195 0.000 1.186 122 S CA -0.489 57.624 58.200 -0.146 0.000 0.836 122 S CB 1.387 64.428 63.200 -0.265 0.000 1.186 122 S HN 1.342 nan 8.310 nan 0.000 0.499 123 G N -0.398 108.244 108.800 -0.264 0.000 2.402 123 G HA2 0.434 4.393 3.960 -0.001 0.000 0.666 123 G HA3 0.434 4.393 3.960 -0.001 0.000 0.666 123 G C -1.023 173.274 174.900 -1.004 0.000 1.402 123 G CA -0.277 44.505 45.100 -0.530 0.000 0.920 123 G HN 1.433 nan 8.290 nan 0.000 0.651 124 S N -1.042 114.034 115.700 -1.040 0.000 2.537 124 S HA 0.693 5.162 4.470 -0.001 0.000 0.270 124 S C 0.950 175.385 174.600 -0.274 0.000 1.142 124 S CA 0.125 57.905 58.200 -0.701 0.000 0.870 124 S CB 1.790 64.801 63.200 -0.314 0.000 1.112 124 S HN 1.961 nan 8.310 nan 0.000 0.466 125 S N -0.069 115.654 115.700 0.037 0.000 2.527 125 S HA -0.056 4.414 4.470 -0.001 0.000 0.222 125 S C 1.410 176.104 174.600 0.156 0.000 0.985 125 S CA 0.932 59.349 58.200 0.362 0.000 0.921 125 S CB -0.606 62.839 63.200 0.408 0.000 0.772 125 S HN 0.850 nan 8.310 nan 0.000 0.529 126 T N 0.280 114.717 114.554 -0.194 0.000 3.107 126 T HA 0.395 4.745 4.350 -0.001 0.000 0.249 126 T C 0.499 174.923 174.700 -0.460 0.000 1.096 126 T CA -0.523 61.148 62.100 -0.715 0.000 1.012 126 T CB -0.646 67.669 68.868 -0.921 0.000 0.977 126 T HN 0.323 nan 8.240 nan 0.000 0.527 127 L N 2.023 123.067 121.223 -0.297 0.000 2.483 127 L HA 0.174 4.513 4.340 -0.001 0.000 0.276 127 L C 1.297 177.945 176.870 -0.371 0.000 1.213 127 L CA -0.571 54.016 54.840 -0.422 0.000 0.843 127 L CB 0.329 41.931 42.059 -0.762 0.000 1.107 127 L HN 0.045 nan 8.230 nan 0.000 0.487 128 D N 1.228 121.439 120.400 -0.315 0.000 2.158 128 D HA -0.153 4.487 4.640 -0.001 0.000 0.197 128 D C 1.995 178.106 176.300 -0.315 0.000 0.995 128 D CA 1.410 55.280 54.000 -0.218 0.000 0.846 128 D CB -0.110 40.575 40.800 -0.191 0.000 0.941 128 D HN 0.535 nan 8.370 nan 0.000 0.456 129 V N -1.400 118.185 119.914 -0.549 0.000 3.078 129 V HA -0.157 3.962 4.120 -0.001 0.000 0.265 129 V C 1.246 176.907 176.094 -0.723 0.000 1.122 129 V CA 1.058 63.007 62.300 -0.586 0.000 1.141 129 V CB -1.087 30.308 31.823 -0.712 0.000 0.735 129 V HN 0.072 nan 8.190 nan 0.000 0.498 130 Y N 0.037 119.888 120.300 -0.748 0.000 2.485 130 Y HA 0.421 4.971 4.550 -0.001 0.000 0.260 130 Y C 1.148 176.660 175.900 -0.646 0.000 1.173 130 Y CA -1.698 55.662 58.100 -1.233 0.000 1.252 130 Y CB -1.004 37.039 38.460 -0.696 0.000 1.123 130 Y HN 0.271 nan 8.280 nan 0.000 0.524 131 N N 1.608 120.173 118.700 -0.224 0.000 2.418 131 N HA -0.042 4.698 4.740 -0.001 0.000 0.277 131 N C 1.315 176.523 175.510 -0.503 0.000 1.317 131 N CA 0.630 53.531 53.050 -0.248 0.000 0.922 131 N CB 0.971 39.398 38.487 -0.099 0.000 1.194 131 N HN 0.470 nan 8.380 nan 0.000 0.485 132 G N 3.328 111.278 108.800 -1.418 0.000 2.848 132 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.208 132 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.208 132 G C 1.426 175.723 174.900 -1.005 0.000 1.152 132 G CA 0.298 44.748 45.100 -1.083 0.000 0.789 132 G HN 0.746 nan 8.290 nan 0.000 0.531 133 K N -0.389 119.256 120.400 -1.258 0.000 2.097 133 K HA -0.133 4.187 4.320 -0.001 0.000 0.206 133 K C 1.700 178.083 176.600 -0.361 0.000 1.049 133 K CA 1.008 56.899 56.287 -0.659 0.000 0.933 133 K CB -0.485 31.692 32.500 -0.538 0.000 0.717 133 K HN 0.304 nan 8.250 nan 0.000 0.442 134 Y N 1.183 121.414 120.300 -0.115 0.000 2.200 134 Y HA -0.131 4.418 4.550 -0.001 0.000 0.290 134 Y C 2.335 178.234 175.900 -0.003 0.000 1.137 134 Y CA 0.702 58.792 58.100 -0.016 0.000 1.163 134 Y CB -0.629 37.791 38.460 -0.067 0.000 0.988 134 Y HN 0.034 nan 8.280 nan 0.000 0.518 135 L N 0.088 121.340 121.223 0.049 0.000 2.072 135 L HA -0.013 4.327 4.340 -0.001 0.000 0.205 135 L C 2.382 179.265 176.870 0.021 0.000 1.079 135 L CA 1.812 56.638 54.840 -0.023 0.000 0.752 135 L CB -1.243 40.719 42.059 -0.161 0.000 0.906 135 L HN 0.139 nan 8.230 nan 0.000 0.436 136 A N -1.237 121.612 122.820 0.047 0.000 1.883 136 A HA -0.311 4.009 4.320 -0.001 0.000 0.217 136 A C 2.321 179.996 177.584 0.152 0.000 1.186 136 A CA 2.060 54.177 52.037 0.134 0.000 0.624 136 A CB -1.247 17.893 19.000 0.233 0.000 0.822 136 A HN 0.606 nan 8.150 nan 0.000 0.444 137 Y N 1.222 121.546 120.300 0.040 0.000 2.133 137 Y HA -0.165 4.384 4.550 -0.001 0.000 0.287 137 Y C 2.662 178.588 175.900 0.043 0.000 1.134 137 Y CA 2.353 60.481 58.100 0.046 0.000 1.133 137 Y CB -0.874 37.600 38.460 0.023 0.000 0.987 137 Y HN 0.298 nan 8.280 nan 0.000 0.502 138 T N 0.379 114.855 114.554 -0.130 0.000 2.777 138 T HA -0.115 4.235 4.350 -0.001 0.000 0.266 138 T C 1.278 175.887 174.700 -0.153 0.000 1.040 138 T CA 1.689 63.651 62.100 -0.231 0.000 1.141 138 T CB -0.103 68.733 68.868 -0.052 0.000 0.868 138 T HN 0.318 nan 8.240 nan 0.000 0.444 139 E N 0.336 120.505 120.200 -0.051 0.000 2.481 139 E HA 0.157 4.507 4.350 -0.001 0.000 0.198 139 E C 0.193 176.800 176.600 0.011 0.000 1.027 139 E CA -0.014 56.391 56.400 0.008 0.000 0.900 139 E CB 0.237 29.966 29.700 0.047 0.000 0.993 139 E HN 0.507 nan 8.360 nan 0.000 0.482 140 E N 0.340 120.536 120.200 -0.007 0.000 2.271 140 E HA -0.176 4.174 4.350 -0.001 0.000 0.223 140 E C -0.616 176.021 176.600 0.062 0.000 1.223 140 E CA 0.439 56.857 56.400 0.030 0.000 0.704 140 E CB -1.294 28.414 29.700 0.013 0.000 1.194 140 E HN 0.148 nan 8.360 nan 0.000 0.375 141 V N -2.905 117.057 119.914 0.080 0.000 2.960 141 V HA 0.756 4.876 4.120 -0.001 0.000 0.315 141 V C 0.403 176.583 176.094 0.143 0.000 1.087 141 V CA -0.966 61.388 62.300 0.090 0.000 0.982 141 V CB 2.243 34.102 31.823 0.061 0.000 1.039 141 V HN -0.039 nan 8.190 nan 0.000 0.437 142 V N 4.371 124.375 119.914 0.150 0.000 2.408 142 V HA 0.295 4.415 4.120 -0.001 0.000 0.267 142 V C 0.010 176.239 176.094 0.225 0.000 1.047 142 V CA -0.287 62.132 62.300 0.198 0.000 0.937 142 V CB 1.022 32.946 31.823 0.169 0.000 0.999 142 V HN 0.765 nan 8.190 nan 0.000 0.472 143 L N 7.787 129.200 121.223 0.316 0.000 2.272 143 L HA 0.611 4.951 4.340 -0.001 0.000 0.289 143 L C -0.516 176.654 176.870 0.500 0.000 1.032 143 L CA 0.073 55.148 54.840 0.392 0.000 0.810 143 L CB 1.695 43.977 42.059 0.373 0.000 1.205 143 L HN 0.392 nan 8.230 nan 0.000 0.422 144 V N 4.060 124.239 119.914 0.440 0.000 2.555 144 V HA 0.562 4.681 4.120 -0.001 0.000 0.302 144 V C 0.045 176.430 176.094 0.486 0.000 1.038 144 V CA -0.575 61.961 62.300 0.393 0.000 0.887 144 V CB 2.103 34.070 31.823 0.240 0.000 0.991 144 V HN 0.915 nan 8.190 nan 0.000 0.434 145 S N 4.930 120.926 115.700 0.493 0.000 2.519 145 S HA 0.823 5.293 4.470 -0.001 0.000 0.309 145 S C -0.791 174.012 174.600 0.340 0.000 1.100 145 S CA -0.782 57.724 58.200 0.510 0.000 1.059 145 S CB 1.502 65.108 63.200 0.676 0.000 1.008 145 S HN 0.653 nan 8.310 nan 0.000 0.478 146 L N 0.867 122.226 121.223 0.226 0.000 2.492 146 L HA 0.995 5.335 4.340 -0.001 0.000 0.263 146 L C 0.168 177.201 176.870 0.273 0.000 1.062 146 L CA -0.713 54.231 54.840 0.172 0.000 0.817 146 L CB 0.205 42.237 42.059 -0.045 0.000 1.441 146 L HN 0.864 nan 8.230 nan 0.000 0.493 147 S N -1.517 114.408 115.700 0.375 0.000 2.627 147 S HA 0.908 5.378 4.470 -0.001 0.000 0.283 147 S C -1.257 173.603 174.600 0.433 0.000 1.127 147 S CA -0.496 57.950 58.200 0.409 0.000 0.863 147 S CB 1.602 65.065 63.200 0.439 0.000 1.121 147 S HN 1.203 nan 8.310 nan 0.000 0.479 148 Y N -1.795 118.626 120.300 0.202 0.000 2.604 148 Y HA 0.657 5.206 4.550 -0.001 0.000 0.331 148 Y C -0.796 175.235 175.900 0.217 0.000 1.158 148 Y CA -1.369 56.835 58.100 0.172 0.000 1.056 148 Y CB 0.663 39.171 38.460 0.080 0.000 1.330 148 Y HN 0.781 nan 8.280 nan 0.000 0.457 149 R N 1.881 122.526 120.500 0.240 0.000 2.537 149 R HA 0.516 4.856 4.340 -0.001 0.000 0.280 149 R C -0.160 176.316 176.300 0.293 0.000 1.058 149 R CA -0.045 56.156 56.100 0.168 0.000 1.057 149 R CB 0.851 31.215 30.300 0.106 0.000 0.973 149 R HN 0.701 nan 8.270 nan 0.000 0.438 150 V N -0.204 119.910 119.914 0.334 0.000 3.181 150 V HA 0.895 5.015 4.120 -0.001 0.000 0.314 150 V C 0.688 177.129 176.094 0.577 0.000 1.173 150 V CA -0.135 62.491 62.300 0.543 0.000 1.052 150 V CB 1.168 33.216 31.823 0.375 0.000 1.123 150 V HN 0.974 nan 8.190 nan 0.000 0.454 151 G N 0.329 109.511 108.800 0.636 0.000 2.601 151 G HA2 0.035 3.995 3.960 -0.001 0.000 0.261 151 G HA3 0.035 3.995 3.960 -0.001 0.000 0.261 151 G C 1.013 176.097 174.900 0.306 0.000 1.289 151 G CA 1.008 46.416 45.100 0.514 0.000 0.920 151 G HN 2.245 nan 8.290 nan 0.000 0.571 152 A N -1.309 121.370 122.820 -0.235 0.000 1.940 152 A HA 0.165 4.485 4.320 -0.001 0.000 0.219 152 A C 2.248 179.690 177.584 -0.236 0.000 1.176 152 A CA 2.639 54.180 52.037 -0.827 0.000 0.631 152 A CB -0.544 17.766 19.000 -1.150 0.000 0.814 152 A HN 1.004 nan 8.150 nan 0.000 0.446 153 F N 0.024 120.040 119.950 0.111 0.000 2.202 153 F HA -0.053 4.474 4.527 -0.001 0.000 0.301 153 F C 2.454 178.275 175.800 0.035 0.000 1.082 153 F CA 1.236 59.277 58.000 0.068 0.000 1.313 153 F CB -0.662 38.328 39.000 -0.017 0.000 1.024 153 F HN 0.294 nan 8.300 nan 0.000 0.495 154 G N -2.551 106.340 108.800 0.152 0.000 2.833 154 G HA2 0.075 4.035 3.960 -0.001 0.000 0.210 154 G HA3 0.075 4.035 3.960 -0.001 0.000 0.210 154 G C 0.729 175.147 174.900 -0.805 0.000 1.139 154 G CA 0.096 45.023 45.100 -0.288 0.000 0.771 154 G HN 0.336 nan 8.290 nan 0.000 0.535 155 F N -0.455 119.588 119.950 0.155 0.000 2.899 155 F HA 0.426 4.953 4.527 -0.001 0.000 0.337 155 F C 0.335 176.189 175.800 0.090 0.000 1.129 155 F CA -1.010 57.061 58.000 0.117 0.000 1.128 155 F CB 0.367 39.458 39.000 0.152 0.000 1.154 155 F HN -0.089 nan 8.300 nan 0.000 0.531 156 L N 2.234 123.449 121.223 -0.013 0.000 2.540 156 L HA 0.476 4.815 4.340 -0.001 0.000 0.276 156 L C 0.118 176.947 176.870 -0.069 0.000 1.212 156 L CA 0.264 54.980 54.840 -0.206 0.000 0.893 156 L CB 0.463 42.072 42.059 -0.749 0.000 1.138 156 L HN 0.157 nan 8.230 nan 0.000 0.491 157 A N 6.902 129.736 122.820 0.022 0.000 2.375 157 A HA 0.620 4.940 4.320 -0.001 0.000 0.291 157 A C -0.913 176.683 177.584 0.020 0.000 1.160 157 A CA -0.481 51.576 52.037 0.033 0.000 0.747 157 A CB 0.697 19.752 19.000 0.091 0.000 1.170 157 A HN 0.700 nan 8.150 nan 0.000 0.458 158 L N 3.562 124.787 121.223 0.003 0.000 2.506 158 L HA 0.249 4.589 4.340 -0.001 0.000 0.247 158 L C 0.051 176.952 176.870 0.053 0.000 1.141 158 L CA -0.776 54.071 54.840 0.012 0.000 0.973 158 L CB 0.376 42.412 42.059 -0.038 0.000 1.319 158 L HN 0.890 nan 8.230 nan 0.000 0.455 159 H N 1.796 120.865 119.070 -0.001 0.000 3.094 159 H HA 0.240 4.795 4.556 -0.001 0.000 0.320 159 H C 1.135 176.468 175.328 0.008 0.000 1.000 159 H CA 1.639 57.694 56.048 0.011 0.000 1.413 159 H CB 0.761 30.533 29.762 0.016 0.000 1.405 159 H HN 0.697 nan 8.280 nan 0.000 0.586 160 G N 2.731 111.224 108.800 -0.513 0.000 2.339 160 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.209 160 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.209 160 G C 0.360 175.160 174.900 -0.166 0.000 1.015 160 G CA 0.180 45.070 45.100 -0.349 0.000 0.635 160 G HN 1.088 nan 8.290 nan 0.000 0.499 161 S N 0.457 116.098 115.700 -0.099 0.000 2.586 161 S HA 0.638 5.108 4.470 -0.001 0.000 0.274 161 S C 0.823 175.405 174.600 -0.029 0.000 1.281 161 S CA 0.141 58.314 58.200 -0.046 0.000 1.035 161 S CB 1.863 65.048 63.200 -0.024 0.000 0.962 161 S HN 0.181 nan 8.310 nan 0.000 0.512 162 Q N 0.908 120.702 119.800 -0.009 0.000 2.319 162 Q HA 0.199 4.539 4.340 -0.001 0.000 0.202 162 Q C 0.929 176.948 176.000 0.031 0.000 0.896 162 Q CA 0.242 56.051 55.803 0.009 0.000 0.942 162 Q CB 0.190 28.932 28.738 0.008 0.000 1.083 162 Q HN 0.741 nan 8.270 nan 0.000 0.510 163 E N 0.482 120.704 120.200 0.037 0.000 2.140 163 E HA 0.090 4.440 4.350 -0.001 0.000 0.191 163 E C 0.189 176.848 176.600 0.098 0.000 0.973 163 E CA 0.541 56.982 56.400 0.068 0.000 0.829 163 E CB 0.516 30.260 29.700 0.073 0.000 0.781 163 E HN 0.114 nan 8.360 nan 0.000 0.466 164 A N 1.796 124.648 122.820 0.054 0.000 3.370 164 A HA 0.295 4.614 4.320 -0.001 0.000 0.295 164 A C -2.013 175.578 177.584 0.011 0.000 1.030 164 A CA -0.938 51.117 52.037 0.030 0.000 0.883 164 A CB 0.660 19.587 19.000 -0.122 0.000 1.191 164 A HN -0.104 nan 8.150 nan 0.000 0.507 165 P HA 0.115 nan 4.420 nan 0.000 0.221 165 P C 0.898 178.251 177.300 0.089 0.000 1.150 165 P CA 1.845 64.983 63.100 0.063 0.000 0.800 165 P CB 0.226 31.966 31.700 0.067 0.000 0.787 166 G N 0.320 109.154 108.800 0.058 0.000 2.663 166 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.686 166 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.686 166 G C -0.147 174.774 174.900 0.035 0.000 1.288 166 G CA -0.271 44.869 45.100 0.067 0.000 0.836 166 G HN 0.105 nan 8.290 nan 0.000 0.584 167 N N -2.403 116.320 118.700 0.039 0.000 2.815 167 N HA -0.289 4.450 4.740 -0.001 0.000 0.247 167 N C 1.981 177.370 175.510 -0.202 0.000 1.030 167 N CA 2.597 55.609 53.050 -0.064 0.000 0.881 167 N CB -1.634 36.758 38.487 -0.158 0.000 1.134 167 N HN 1.915 nan 8.380 nan 0.000 0.582 168 V N -2.814 116.974 119.914 -0.210 0.000 2.594 168 V HA -0.015 4.104 4.120 -0.001 0.000 0.253 168 V C 2.305 178.280 176.094 -0.198 0.000 1.069 168 V CA 2.305 64.520 62.300 -0.141 0.000 1.082 168 V CB -0.947 30.841 31.823 -0.059 0.000 0.680 168 V HN 0.286 nan 8.190 nan 0.000 0.469 169 G N 0.294 108.771 108.800 -0.538 0.000 2.422 169 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.218 169 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.218 169 G C 1.546 176.425 174.900 -0.035 0.000 1.140 169 G CA 1.065 45.971 45.100 -0.323 0.000 0.775 169 G HN 0.530 nan 8.290 nan 0.000 0.545 170 L N -0.145 121.022 121.223 -0.094 0.000 2.109 170 L HA 0.095 4.434 4.340 -0.001 0.000 0.207 170 L C 2.809 179.736 176.870 0.094 0.000 1.086 170 L CA 0.365 55.139 54.840 -0.110 0.000 0.760 170 L CB -0.249 41.419 42.059 -0.652 0.000 0.910 170 L HN 0.185 nan 8.230 nan 0.000 0.437 171 L N -0.625 120.645 121.223 0.078 0.000 2.141 171 L HA -0.198 4.142 4.340 -0.001 0.000 0.209 171 L C 2.148 179.111 176.870 0.154 0.000 1.094 171 L CA 0.824 55.771 54.840 0.177 0.000 0.763 171 L CB -0.624 41.515 42.059 0.132 0.000 0.908 171 L HN 0.282 nan 8.230 nan 0.000 0.437 172 D N 0.053 120.540 120.400 0.145 0.000 2.117 172 D HA -0.203 4.436 4.640 -0.001 0.000 0.197 172 D C 2.273 178.665 176.300 0.154 0.000 0.987 172 D CA 1.201 55.350 54.000 0.248 0.000 0.829 172 D CB -0.178 40.807 40.800 0.309 0.000 0.961 172 D HN 0.408 nan 8.370 nan 0.000 0.460 173 Q N 0.105 119.952 119.800 0.079 0.000 2.084 173 Q HA -0.115 4.224 4.340 -0.001 0.000 0.202 173 Q C 2.282 178.197 176.000 -0.141 0.000 0.978 173 Q CA 0.923 56.687 55.803 -0.066 0.000 0.844 173 Q CB -0.039 28.670 28.738 -0.048 0.000 0.898 173 Q HN 0.197 nan 8.270 nan 0.000 0.426 174 R N 0.646 121.150 120.500 0.008 0.000 2.096 174 R HA -0.115 4.225 4.340 -0.001 0.000 0.235 174 R C 2.183 178.457 176.300 -0.043 0.000 1.127 174 R CA 1.294 57.377 56.100 -0.030 0.000 0.968 174 R CB -0.147 30.239 30.300 0.142 0.000 0.861 174 R HN 0.280 nan 8.270 nan 0.000 0.440 175 M N 0.006 119.606 119.600 0.001 0.000 2.159 175 M HA -0.110 4.370 4.480 -0.001 0.000 0.263 175 M C 2.042 178.275 176.300 -0.113 0.000 1.063 175 M CA 1.925 57.248 55.300 0.040 0.000 1.110 175 M CB -0.006 32.716 32.600 0.203 0.000 1.374 175 M HN 0.309 nan 8.290 nan 0.000 0.411 176 A N 0.191 122.686 122.820 -0.542 0.000 1.929 176 A HA -0.070 4.250 4.320 -0.001 0.000 0.216 176 A C 1.955 179.409 177.584 -0.217 0.000 1.176 176 A CA 1.103 52.658 52.037 -0.803 0.000 0.628 176 A CB -0.828 17.372 19.000 -1.334 0.000 0.816 176 A HN 0.564 nan 8.150 nan 0.000 0.444 177 L N -0.988 120.133 121.223 -0.169 0.000 2.141 177 L HA -0.201 4.139 4.340 -0.001 0.000 0.209 177 L C 2.803 179.708 176.870 0.059 0.000 1.094 177 L CA 1.576 56.387 54.840 -0.047 0.000 0.763 177 L CB -0.386 41.608 42.059 -0.109 0.000 0.908 177 L HN 0.481 nan 8.230 nan 0.000 0.437 178 Q N -0.330 119.500 119.800 0.050 0.000 2.079 178 Q HA -0.246 4.094 4.340 -0.001 0.000 0.200 178 Q C 2.009 178.118 176.000 0.181 0.000 0.974 178 Q CA 1.826 57.683 55.803 0.091 0.000 0.840 178 Q CB -0.451 28.329 28.738 0.070 0.000 0.898 178 Q HN 0.457 nan 8.270 nan 0.000 0.430 179 W N -0.654 120.659 121.300 0.022 0.000 2.358 179 W HA -0.163 4.497 4.660 -0.001 0.000 0.303 179 W C 1.817 178.384 176.519 0.080 0.000 1.208 179 W CA 1.626 59.012 57.345 0.069 0.000 1.274 179 W CB -0.120 29.382 29.460 0.069 0.000 1.138 179 W HN 0.017 nan 8.180 nan 0.000 0.515 180 V N -0.056 120.075 119.914 0.361 0.000 2.343 180 V HA -0.370 3.749 4.120 -0.001 0.000 0.247 180 V C 2.550 178.694 176.094 0.084 0.000 1.051 180 V CA 2.332 64.773 62.300 0.235 0.000 1.036 180 V CB -1.263 30.676 31.823 0.192 0.000 0.654 180 V HN 0.352 nan 8.190 nan 0.000 0.451 181 H N 0.349 119.425 119.070 0.010 0.000 2.319 181 H HA -0.186 4.370 4.556 -0.001 0.000 0.299 181 H C 1.969 177.241 175.328 -0.093 0.000 1.092 181 H CA 2.150 58.180 56.048 -0.029 0.000 1.302 181 H CB -0.026 29.729 29.762 -0.012 0.000 1.373 181 H HN 0.416 nan 8.280 nan 0.000 0.497 182 D N -0.148 120.232 120.400 -0.034 0.000 2.234 182 D HA -0.062 4.577 4.640 -0.001 0.000 0.205 182 D C 1.346 177.490 176.300 -0.259 0.000 0.962 182 D CA 0.701 54.616 54.000 -0.141 0.000 0.855 182 D CB 0.002 40.744 40.800 -0.097 0.000 0.951 182 D HN 0.479 nan 8.370 nan 0.000 0.500 183 N N -0.254 118.219 118.700 -0.378 0.000 2.193 183 N HA 0.032 4.771 4.740 -0.001 0.000 0.210 183 N C 1.477 176.939 175.510 -0.080 0.000 1.215 183 N CA -0.162 52.704 53.050 -0.306 0.000 0.901 183 N CB 1.013 38.936 38.487 -0.940 0.000 1.060 183 N HN 0.021 nan 8.380 nan 0.000 0.508 184 I N 3.080 123.612 120.570 -0.064 0.000 2.700 184 I HA -0.240 3.929 4.170 -0.001 0.000 0.261 184 I C 2.574 178.714 176.117 0.039 0.000 1.219 184 I CA 1.216 62.590 61.300 0.123 0.000 1.463 184 I CB -0.169 37.869 38.000 0.063 0.000 1.092 184 I HN 0.195 nan 8.210 nan 0.000 0.452 185 Q N -0.666 118.963 119.800 -0.285 0.000 2.226 185 Q HA -0.234 4.106 4.340 -0.001 0.000 0.204 185 Q C 1.786 177.544 176.000 -0.403 0.000 0.975 185 Q CA 1.669 57.228 55.803 -0.406 0.000 0.866 185 Q CB -0.788 27.568 28.738 -0.635 0.000 0.915 185 Q HN 0.423 nan 8.270 nan 0.000 0.440 186 F N -0.196 119.709 119.950 -0.076 0.000 2.604 186 F HA 0.101 4.627 4.527 -0.001 0.000 0.298 186 F C 0.897 176.491 175.800 -0.344 0.000 1.131 186 F CA 0.320 58.173 58.000 -0.245 0.000 1.457 186 F CB -0.068 38.697 39.000 -0.392 0.000 1.095 186 F HN 0.005 nan 8.300 nan 0.000 0.574 187 F N -0.591 119.365 119.950 0.011 0.000 2.664 187 F HA 0.425 4.952 4.527 -0.001 0.000 0.303 187 F C 1.759 177.573 175.800 0.023 0.000 1.092 187 F CA 0.252 58.242 58.000 -0.017 0.000 1.305 187 F CB -0.046 38.917 39.000 -0.060 0.000 1.054 187 F HN 0.031 nan 8.300 nan 0.000 0.565 188 G N 0.207 109.087 108.800 0.133 0.000 2.157 188 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.239 188 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.239 188 G C 0.595 175.540 174.900 0.075 0.000 0.982 188 G CA -0.258 44.895 45.100 0.089 0.000 0.650 188 G HN 0.728 nan 8.290 nan 0.000 0.527 189 G N -0.528 108.321 108.800 0.081 0.000 2.451 189 G HA2 0.500 4.459 3.960 -0.001 0.000 0.303 189 G HA3 0.500 4.459 3.960 -0.001 0.000 0.303 189 G C -0.791 174.101 174.900 -0.013 0.000 1.166 189 G CA 0.263 45.395 45.100 0.053 0.000 0.884 189 G HN 0.257 nan 8.290 nan 0.000 0.514 190 D N 1.277 121.669 120.400 -0.014 0.000 2.396 190 D HA 0.265 4.905 4.640 -0.001 0.000 0.225 190 D C -1.029 175.241 176.300 -0.049 0.000 1.121 190 D CA -2.416 51.556 54.000 -0.046 0.000 0.853 190 D CB 1.788 42.569 40.800 -0.031 0.000 1.043 190 D HN 0.071 nan 8.370 nan 0.000 0.500 191 P HA -0.115 nan 4.420 nan 0.000 0.231 191 P C 0.528 177.798 177.300 -0.051 0.000 1.158 191 P CA 0.691 63.729 63.100 -0.104 0.000 0.763 191 P CB 0.365 31.905 31.700 -0.267 0.000 0.805 192 K N -0.750 119.619 120.400 -0.052 0.000 2.400 192 K HA 0.087 4.407 4.320 -0.001 0.000 0.194 192 K C 0.332 176.924 176.600 -0.013 0.000 1.033 192 K CA 0.725 56.996 56.287 -0.027 0.000 1.021 192 K CB 0.129 32.605 32.500 -0.041 0.000 0.808 192 K HN 0.058 nan 8.250 nan 0.000 0.505 193 T N 1.359 115.909 114.554 -0.007 0.000 3.532 193 T HA 0.208 4.558 4.350 -0.001 0.000 0.241 193 T C -0.626 174.089 174.700 0.026 0.000 1.238 193 T CA -0.374 61.723 62.100 -0.005 0.000 1.405 193 T CB 0.669 69.522 68.868 -0.024 0.000 0.971 193 T HN -0.242 nan 8.240 nan 0.000 0.640 194 V N 2.134 122.090 119.914 0.069 0.000 2.370 194 V HA 0.427 4.547 4.120 -0.001 0.000 0.279 194 V C 0.439 176.630 176.094 0.162 0.000 1.029 194 V CA -0.413 61.958 62.300 0.117 0.000 0.870 194 V CB 1.457 33.373 31.823 0.155 0.000 0.984 194 V HN 0.503 nan 8.190 nan 0.000 0.451 195 T N 6.705 121.340 114.554 0.135 0.000 2.758 195 T HA 0.562 4.912 4.350 -0.001 0.000 0.285 195 T C -0.061 174.753 174.700 0.190 0.000 0.981 195 T CA -0.158 62.037 62.100 0.158 0.000 0.965 195 T CB 0.690 69.610 68.868 0.086 0.000 0.927 195 T HN 0.618 nan 8.240 nan 0.000 0.448 196 I N 1.952 122.606 120.570 0.140 0.000 2.385 196 I HA 0.848 5.018 4.170 -0.001 0.000 0.294 196 I C -0.822 175.449 176.117 0.256 0.000 0.988 196 I CA -0.919 60.442 61.300 0.103 0.000 1.265 196 I CB 0.833 38.671 38.000 -0.269 0.000 1.388 196 I HN 0.486 nan 8.210 nan 0.000 0.480 197 F N 3.294 123.267 119.950 0.038 0.000 2.619 197 F HA 1.002 5.529 4.527 -0.001 0.000 0.308 197 F C -0.471 175.302 175.800 -0.046 0.000 1.097 197 F CA -1.206 56.853 58.000 0.098 0.000 0.953 197 F CB 1.357 40.533 39.000 0.293 0.000 1.287 197 F HN 0.843 nan 8.300 nan 0.000 0.446 198 G N 1.077 109.747 108.800 -0.217 0.000 2.576 198 G HA2 0.489 4.448 3.960 -0.001 0.000 0.290 198 G HA3 0.489 4.448 3.960 -0.001 0.000 0.290 198 G C -2.544 172.134 174.900 -0.371 0.000 1.442 198 G CA -0.801 43.779 45.100 -0.866 0.000 0.792 198 G HN 0.867 nan 8.290 nan 0.000 0.491 199 E N 0.286 120.234 120.200 -0.419 0.000 2.238 199 E HA 0.620 4.970 4.350 -0.001 0.000 0.267 199 E C 0.675 177.231 176.600 -0.074 0.000 0.887 199 E CA 0.325 56.711 56.400 -0.023 0.000 0.769 199 E CB 2.115 31.964 29.700 0.249 0.000 1.187 199 E HN 0.919 nan 8.360 nan 0.000 0.416 200 S N 3.035 118.752 115.700 0.029 0.000 4.139 200 S HA -0.401 4.069 4.470 -0.001 0.000 0.603 200 S C 1.498 176.196 174.600 0.164 0.000 1.897 200 S CA 2.249 60.549 58.200 0.166 0.000 4.241 200 S CB -1.620 61.599 63.200 0.031 0.000 0.221 200 S HN 0.984 nan 8.310 nan 0.000 0.488 201 A N 1.054 123.882 122.820 0.013 0.000 2.024 201 A HA 0.133 4.452 4.320 -0.001 0.000 0.220 201 A C 2.477 179.813 177.584 -0.413 0.000 1.164 201 A CA 2.473 54.298 52.037 -0.354 0.000 0.643 201 A CB -1.553 16.862 19.000 -0.974 0.000 0.806 201 A HN 1.615 nan 8.150 nan 0.000 0.451 202 G N -0.843 107.775 108.800 -0.304 0.000 2.421 202 G HA2 0.108 4.067 3.960 -0.001 0.000 0.217 202 G HA3 0.108 4.067 3.960 -0.001 0.000 0.217 202 G C 1.424 176.146 174.900 -0.297 0.000 1.143 202 G CA 1.114 45.987 45.100 -0.377 0.000 0.784 202 G HN 0.659 nan 8.290 nan 0.000 0.541 203 G N 0.916 109.606 108.800 -0.183 0.000 2.403 203 G HA2 0.148 4.107 3.960 -0.001 0.000 0.216 203 G HA3 0.148 4.107 3.960 -0.001 0.000 0.216 203 G C 1.994 176.799 174.900 -0.158 0.000 1.154 203 G CA 1.305 46.329 45.100 -0.127 0.000 0.784 203 G HN 0.554 nan 8.290 nan 0.000 0.538 204 A N 0.882 123.627 122.820 -0.125 0.000 1.933 204 A HA 0.033 4.352 4.320 -0.001 0.000 0.218 204 A C 2.677 180.199 177.584 -0.105 0.000 1.175 204 A CA 2.175 54.116 52.037 -0.159 0.000 0.628 204 A CB -0.583 18.340 19.000 -0.128 0.000 0.814 204 A HN 0.289 nan 8.150 nan 0.000 0.444 205 S N -0.434 115.220 115.700 -0.077 0.000 2.359 205 S HA -0.149 4.320 4.470 -0.001 0.000 0.224 205 S C 1.930 176.454 174.600 -0.125 0.000 1.035 205 S CA 1.461 59.598 58.200 -0.106 0.000 1.018 205 S CB -0.536 62.554 63.200 -0.183 0.000 0.876 205 S HN 0.348 nan 8.310 nan 0.000 0.448 206 V N 1.611 121.455 119.914 -0.117 0.000 2.282 206 V HA -0.213 3.907 4.120 -0.001 0.000 0.249 206 V C 2.606 178.643 176.094 -0.095 0.000 1.057 206 V CA 2.091 64.327 62.300 -0.106 0.000 1.032 206 V CB -1.470 30.269 31.823 -0.140 0.000 0.645 206 V HN 0.612 nan 8.190 nan 0.000 0.447 207 G N -1.201 107.492 108.800 -0.178 0.000 2.432 207 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.219 207 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.219 207 G C 1.591 176.479 174.900 -0.020 0.000 1.135 207 G CA 0.995 45.963 45.100 -0.220 0.000 0.767 207 G HN 0.462 nan 8.290 nan 0.000 0.550 208 M N -0.237 119.362 119.600 -0.002 0.000 2.229 208 M HA 0.025 4.505 4.480 -0.001 0.000 0.264 208 M C 2.225 178.627 176.300 0.170 0.000 1.063 208 M CA 0.851 56.271 55.300 0.200 0.000 1.114 208 M CB -0.201 32.519 32.600 0.200 0.000 1.387 208 M HN 0.183 nan 8.290 nan 0.000 0.420 209 H N -0.293 118.894 119.070 0.194 0.000 2.470 209 H HA 0.069 4.625 4.556 -0.001 0.000 0.289 209 H C 2.068 177.596 175.328 0.335 0.000 1.033 209 H CA 1.160 57.319 56.048 0.184 0.000 1.331 209 H CB -0.113 29.650 29.762 0.002 0.000 1.414 209 H HN 0.414 nan 8.280 nan 0.000 0.545 210 I N 0.334 121.166 120.570 0.437 0.000 2.353 210 I HA -0.216 3.954 4.170 -0.001 0.000 0.248 210 I C 2.202 178.561 176.117 0.403 0.000 1.119 210 I CA 0.747 62.362 61.300 0.524 0.000 1.417 210 I CB -0.007 38.241 38.000 0.413 0.000 1.078 210 I HN 0.117 nan 8.210 nan 0.000 0.421 211 L N -0.562 120.863 121.223 0.336 0.000 2.068 211 L HA -0.048 4.292 4.340 -0.001 0.000 0.204 211 L C 1.554 178.541 176.870 0.195 0.000 1.076 211 L CA 0.349 55.387 54.840 0.329 0.000 0.753 211 L CB -0.309 41.977 42.059 0.378 0.000 0.910 211 L HN 0.072 nan 8.230 nan 0.000 0.439 212 S N 1.109 116.842 115.700 0.054 0.000 2.506 212 S HA 0.050 4.519 4.470 -0.001 0.000 0.291 212 S C -1.265 173.222 174.600 -0.189 0.000 1.230 212 S CA -1.335 56.700 58.200 -0.274 0.000 1.107 212 S CB 0.555 63.164 63.200 -0.986 0.000 0.942 212 S HN 0.017 nan 8.310 nan 0.000 0.502 213 P HA -0.066 nan 4.420 nan 0.000 0.218 213 P C 1.392 178.608 177.300 -0.141 0.000 1.148 213 P CA 1.244 64.280 63.100 -0.107 0.000 0.822 213 P CB -0.269 31.379 31.700 -0.087 0.000 0.784 214 G N -0.838 107.824 108.800 -0.231 0.000 2.679 214 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.212 214 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.212 214 G C 1.388 176.197 174.900 -0.151 0.000 1.137 214 G CA 0.410 45.390 45.100 -0.200 0.000 0.787 214 G HN 0.261 nan 8.290 nan 0.000 0.534 215 S N -0.475 115.156 115.700 -0.115 0.000 2.539 215 S HA 0.118 4.588 4.470 -0.001 0.000 0.226 215 S C 2.152 176.837 174.600 0.140 0.000 1.054 215 S CA -0.446 57.789 58.200 0.058 0.000 0.910 215 S CB 0.221 63.581 63.200 0.267 0.000 0.818 215 S HN 0.335 nan 8.310 nan 0.000 0.490 216 R N 2.048 122.582 120.500 0.056 0.000 2.140 216 R HA -0.162 4.178 4.340 -0.001 0.000 0.250 216 R C 0.940 177.051 176.300 -0.315 0.000 1.150 216 R CA 1.858 57.891 56.100 -0.111 0.000 0.966 216 R CB -0.601 29.649 30.300 -0.085 0.000 0.869 216 R HN 0.316 nan 8.270 nan 0.000 0.445 217 D N 0.481 120.771 120.400 -0.182 0.000 2.348 217 D HA -0.051 4.589 4.640 -0.001 0.000 0.216 217 D C 1.465 177.661 176.300 -0.174 0.000 0.970 217 D CA 0.783 54.669 54.000 -0.189 0.000 0.889 217 D CB -0.005 40.704 40.800 -0.152 0.000 0.912 217 D HN 0.264 nan 8.370 nan 0.000 0.524 218 L N -0.204 120.962 121.223 -0.096 0.000 2.627 218 L HA 0.153 4.493 4.340 -0.001 0.000 0.233 218 L C -0.068 176.935 176.870 0.222 0.000 1.144 218 L CA -0.100 54.754 54.840 0.024 0.000 0.892 218 L CB -0.484 41.603 42.059 0.047 0.000 1.039 218 L HN -0.050 nan 8.230 nan 0.000 0.442 219 F N -4.282 115.678 119.950 0.017 0.000 2.713 219 F HA 0.568 5.095 4.527 -0.001 0.000 0.311 219 F C 0.383 176.208 175.800 0.042 0.000 1.141 219 F CA -1.376 56.646 58.000 0.037 0.000 0.939 219 F CB 1.180 40.200 39.000 0.033 0.000 1.325 219 F HN -0.398 nan 8.300 nan 0.000 0.453 220 R N 0.806 121.390 120.500 0.141 0.000 2.074 220 R HA 0.471 4.810 4.340 -0.001 0.000 0.218 220 R C -0.016 176.340 176.300 0.093 0.000 1.137 220 R CA 1.062 57.175 56.100 0.022 0.000 0.998 220 R CB 0.263 30.575 30.300 0.021 0.000 0.895 220 R HN 0.793 nan 8.270 nan 0.000 0.442 221 R N -1.423 119.231 120.500 0.256 0.000 2.905 221 R HA 0.758 5.098 4.340 -0.001 0.000 0.260 221 R C -1.509 175.045 176.300 0.424 0.000 1.086 221 R CA -0.724 55.537 56.100 0.268 0.000 0.978 221 R CB 2.208 32.490 30.300 -0.031 0.000 1.215 221 R HN 0.208 nan 8.270 nan 0.000 0.480 222 A N 1.234 124.301 122.820 0.411 0.000 2.520 222 A HA 0.680 5.000 4.320 -0.001 0.000 0.298 222 A C -1.215 176.470 177.584 0.169 0.000 1.051 222 A CA -0.609 51.584 52.037 0.259 0.000 0.690 222 A CB 1.278 20.386 19.000 0.180 0.000 1.281 222 A HN 0.561 nan 8.150 nan 0.000 0.402 223 I N 1.825 122.447 120.570 0.087 0.000 2.466 223 I HA 0.407 4.576 4.170 -0.001 0.000 0.289 223 I C -1.462 174.688 176.117 0.055 0.000 1.026 223 I CA -0.642 60.630 61.300 -0.047 0.000 1.078 223 I CB 1.929 39.858 38.000 -0.117 0.000 1.249 223 I HN 0.446 nan 8.210 nan 0.000 0.429 224 L N 6.592 127.821 121.223 0.011 0.000 2.343 224 L HA 0.431 4.771 4.340 -0.001 0.000 0.278 224 L C -0.516 176.435 176.870 0.134 0.000 0.996 224 L CA -0.236 54.620 54.840 0.027 0.000 0.831 224 L CB 1.599 43.605 42.059 -0.088 0.000 1.232 224 L HN 0.489 nan 8.230 nan 0.000 0.413 225 Q N 1.832 121.769 119.800 0.227 0.000 2.347 225 Q HA 0.458 4.798 4.340 -0.001 0.000 0.262 225 Q C 0.077 176.215 176.000 0.229 0.000 0.980 225 Q CA -0.542 55.474 55.803 0.355 0.000 0.867 225 Q CB 1.455 30.504 28.738 0.519 0.000 1.242 225 Q HN 0.640 nan 8.270 nan 0.000 0.453 226 S N 1.148 116.976 115.700 0.213 0.000 3.559 226 S HA -0.179 4.291 4.470 -0.001 0.000 0.369 226 S C 0.025 174.792 174.600 0.278 0.000 0.987 226 S CA 0.580 58.928 58.200 0.246 0.000 1.187 226 S CB -1.123 62.266 63.200 0.316 0.000 0.914 226 S HN 0.932 nan 8.310 nan 0.000 0.480 227 G N -0.682 108.208 108.800 0.150 0.000 2.702 227 G HA2 0.617 4.577 3.960 -0.001 0.000 0.296 227 G HA3 0.617 4.577 3.960 -0.001 0.000 0.296 227 G C -1.302 173.544 174.900 -0.089 0.000 1.463 227 G CA 0.174 45.352 45.100 0.130 0.000 0.890 227 G HN 0.520 nan 8.290 nan 0.000 0.534 228 S N 0.817 116.394 115.700 -0.206 0.000 2.541 228 S HA 0.751 5.220 4.470 -0.001 0.000 0.271 228 S C -1.861 172.457 174.600 -0.470 0.000 1.133 228 S CA -1.155 56.788 58.200 -0.430 0.000 0.876 228 S CB 2.468 65.485 63.200 -0.305 0.000 1.105 228 S HN 0.340 nan 8.310 nan 0.000 0.470 229 P HA -0.074 nan 4.420 nan 0.000 0.220 229 P C 0.559 177.632 177.300 -0.379 0.000 1.148 229 P CA 1.035 63.902 63.100 -0.389 0.000 0.803 229 P CB -0.247 31.276 31.700 -0.295 0.000 0.782 230 N N -0.750 117.762 118.700 -0.314 0.000 2.370 230 N HA -0.018 4.722 4.740 -0.001 0.000 0.198 230 N C 0.031 175.325 175.510 -0.359 0.000 1.156 230 N CA -0.188 52.709 53.050 -0.256 0.000 0.839 230 N CB -1.393 37.057 38.487 -0.062 0.000 0.989 230 N HN 0.028 nan 8.380 nan 0.000 0.468 231 C N 2.945 121.925 119.300 -0.534 0.000 2.657 231 C HA 0.082 4.542 4.460 -0.001 0.000 0.420 231 C C -0.172 174.376 174.990 -0.737 0.000 1.323 231 C CA -0.915 57.666 59.018 -0.730 0.000 1.894 231 C CB 1.021 28.025 27.740 -1.227 0.000 2.681 231 C HN 0.369 nan 8.230 nan 0.000 0.613 232 P HA -0.110 nan 4.420 nan 0.000 0.223 232 P C 1.060 178.205 177.300 -0.258 0.000 1.144 232 P CA 1.755 64.620 63.100 -0.393 0.000 0.783 232 P CB -0.053 31.415 31.700 -0.387 0.000 0.771 233 W N -1.773 119.426 121.300 -0.168 0.000 3.177 233 W HA 0.587 5.246 4.660 -0.000 0.000 0.309 233 W C 1.040 177.618 176.519 0.098 0.000 1.224 233 W CA 0.323 57.649 57.345 -0.031 0.000 1.718 233 W CB -0.895 28.623 29.460 0.097 0.000 1.078 233 W HN -0.127 nan 8.180 nan 0.000 0.618 234 A N 1.471 123.981 122.820 -0.517 0.000 2.218 234 A HA 0.234 4.553 4.320 -0.001 0.000 0.209 234 A C 0.925 178.266 177.584 -0.406 0.000 1.168 234 A CA 1.067 52.856 52.037 -0.413 0.000 0.804 234 A CB -0.530 18.011 19.000 -0.765 0.000 0.834 234 A HN 0.220 nan 8.150 nan 0.000 0.482 235 S N -1.794 113.700 115.700 -0.344 0.000 2.587 235 S HA 0.627 5.097 4.470 -0.001 0.000 0.269 235 S C -0.847 173.607 174.600 -0.244 0.000 1.154 235 S CA -0.085 57.907 58.200 -0.345 0.000 0.824 235 S CB 1.222 64.157 63.200 -0.442 0.000 1.118 235 S HN 1.351 nan 8.310 nan 0.000 0.462 236 V N -0.971 118.820 119.914 -0.205 0.000 3.130 236 V HA 0.943 5.063 4.120 -0.001 0.000 0.310 236 V C 0.190 176.202 176.094 -0.136 0.000 1.158 236 V CA -0.446 61.762 62.300 -0.154 0.000 1.029 236 V CB 1.134 32.880 31.823 -0.129 0.000 1.057 236 V HN 1.547 nan 8.190 nan 0.000 0.436 237 S N 0.693 116.325 115.700 -0.114 0.000 2.608 237 S HA 0.335 4.804 4.470 -0.001 0.000 0.261 237 S C 1.290 175.837 174.600 -0.087 0.000 1.314 237 S CA 0.035 58.175 58.200 -0.100 0.000 0.992 237 S CB 1.214 64.366 63.200 -0.081 0.000 0.935 237 S HN 2.096 nan 8.310 nan 0.000 0.564 238 V N -1.531 118.325 119.914 -0.098 0.000 2.626 238 V HA 0.058 4.177 4.120 -0.001 0.000 0.252 238 V C 2.507 178.583 176.094 -0.030 0.000 1.067 238 V CA 1.460 63.713 62.300 -0.078 0.000 1.081 238 V CB -1.998 29.721 31.823 -0.173 0.000 0.686 238 V HN 0.987 nan 8.190 nan 0.000 0.468 239 A N 0.739 123.536 122.820 -0.038 0.000 1.898 239 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 239 A C 2.213 179.773 177.584 -0.040 0.000 1.181 239 A CA 1.940 53.962 52.037 -0.025 0.000 0.620 239 A CB -0.606 18.378 19.000 -0.026 0.000 0.819 239 A HN 0.612 nan 8.150 nan 0.000 0.442 240 E N 0.160 120.325 120.200 -0.059 0.000 2.106 240 E HA -0.016 4.334 4.350 -0.001 0.000 0.192 240 E C 1.950 178.502 176.600 -0.080 0.000 0.984 240 E CA 1.459 57.809 56.400 -0.083 0.000 0.806 240 E CB -0.800 28.840 29.700 -0.100 0.000 0.750 240 E HN 0.383 nan 8.360 nan 0.000 0.458 241 G N 0.625 109.392 108.800 -0.055 0.000 2.418 241 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.217 241 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.217 241 G C 1.766 176.668 174.900 0.004 0.000 1.158 241 G CA 0.837 45.925 45.100 -0.020 0.000 0.771 241 G HN 0.317 nan 8.290 nan 0.000 0.545 242 R N 0.184 120.684 120.500 -0.000 0.000 2.070 242 R HA 0.002 4.342 4.340 -0.001 0.000 0.233 242 R C 2.583 178.875 176.300 -0.013 0.000 1.137 242 R CA 1.337 57.439 56.100 0.003 0.000 0.945 242 R CB -0.392 29.915 30.300 0.011 0.000 0.845 242 R HN 0.245 nan 8.270 nan 0.000 0.430 243 R N 0.580 121.061 120.500 -0.032 0.000 2.103 243 R HA -0.167 4.173 4.340 -0.001 0.000 0.242 243 R C 2.137 178.405 176.300 -0.052 0.000 1.142 243 R CA 2.016 58.087 56.100 -0.047 0.000 0.960 243 R CB -0.121 30.137 30.300 -0.069 0.000 0.858 243 R HN 0.312 nan 8.270 nan 0.000 0.439 244 R N -0.585 119.875 120.500 -0.067 0.000 2.115 244 R HA 0.007 4.347 4.340 -0.001 0.000 0.226 244 R C 2.286 178.622 176.300 0.059 0.000 1.100 244 R CA 0.986 57.037 56.100 -0.081 0.000 0.980 244 R CB -0.166 29.989 30.300 -0.242 0.000 0.875 244 R HN 0.223 nan 8.270 nan 0.000 0.445 245 A N 0.769 123.644 122.820 0.091 0.000 1.898 245 A HA -0.088 4.231 4.320 -0.001 0.000 0.216 245 A C 2.304 179.891 177.584 0.006 0.000 1.181 245 A CA 1.162 53.243 52.037 0.073 0.000 0.620 245 A CB -0.446 18.542 19.000 -0.019 0.000 0.819 245 A HN 0.089 nan 8.150 nan 0.000 0.442 246 V N 0.064 119.975 119.914 -0.006 0.000 2.343 246 V HA -0.226 3.893 4.120 -0.001 0.000 0.247 246 V C 2.599 178.690 176.094 -0.005 0.000 1.051 246 V CA 2.384 64.677 62.300 -0.012 0.000 1.036 246 V CB -0.680 31.134 31.823 -0.015 0.000 0.654 246 V HN 0.677 nan 8.190 nan 0.000 0.451 247 E N 0.170 120.367 120.200 -0.004 0.000 2.153 247 E HA -0.207 4.143 4.350 -0.001 0.000 0.194 247 E C 1.895 178.506 176.600 0.018 0.000 0.988 247 E CA 1.075 57.472 56.400 -0.004 0.000 0.811 247 E CB -0.384 29.299 29.700 -0.029 0.000 0.746 247 E HN 0.445 nan 8.360 nan 0.000 0.466 248 L N -0.289 120.964 121.223 0.049 0.000 2.017 248 L HA 0.030 4.369 4.340 -0.001 0.000 0.208 248 L C 2.184 179.068 176.870 0.023 0.000 1.073 248 L CA 2.285 57.165 54.840 0.067 0.000 0.745 248 L CB -1.034 41.092 42.059 0.112 0.000 0.894 248 L HN 0.242 nan 8.230 nan 0.000 0.432 249 G N -0.970 107.831 108.800 0.002 0.000 2.440 249 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.218 249 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.218 249 G C 1.829 176.735 174.900 0.010 0.000 1.154 249 G CA 0.854 45.953 45.100 -0.002 0.000 0.767 249 G HN 0.384 nan 8.290 nan 0.000 0.552 250 R N 0.291 120.797 120.500 0.010 0.000 2.096 250 R HA -0.028 4.312 4.340 -0.001 0.000 0.235 250 R C 2.255 178.567 176.300 0.019 0.000 1.127 250 R CA 1.166 57.274 56.100 0.013 0.000 0.968 250 R CB -0.282 30.023 30.300 0.007 0.000 0.861 250 R HN 0.322 nan 8.270 nan 0.000 0.440 251 N N 0.293 119.008 118.700 0.024 0.000 2.381 251 N HA -0.112 4.628 4.740 -0.001 0.000 0.182 251 N C 0.974 176.505 175.510 0.035 0.000 1.025 251 N CA 0.865 53.935 53.050 0.033 0.000 0.888 251 N CB 0.174 38.687 38.487 0.043 0.000 0.965 251 N HN 0.272 nan 8.380 nan 0.000 0.438 252 L N 0.471 121.712 121.223 0.031 0.000 2.818 252 L HA 0.184 4.523 4.340 -0.001 0.000 0.243 252 L C -0.530 176.358 176.870 0.029 0.000 1.185 252 L CA -0.132 54.727 54.840 0.032 0.000 0.988 252 L CB -0.283 41.793 42.059 0.029 0.000 1.292 252 L HN 0.022 nan 8.230 nan 0.000 0.519 253 N N -0.994 117.722 118.700 0.026 0.000 2.714 253 N HA -0.181 4.558 4.740 -0.001 0.000 0.253 253 N C -0.266 175.260 175.510 0.027 0.000 1.024 253 N CA 0.337 53.403 53.050 0.025 0.000 0.726 253 N CB -1.596 36.907 38.487 0.026 0.000 0.908 253 N HN 0.270 nan 8.380 nan 0.000 0.542 254 c N 0.370 118.985 118.600 0.025 0.000 2.347 254 c HA 0.378 4.948 4.570 -0.001 0.000 0.366 254 c C 1.101 175.209 174.090 0.029 0.000 1.241 254 c CA -0.958 55.389 56.329 0.031 0.000 2.360 254 c CB 1.024 43.549 42.510 0.025 0.000 2.290 254 c HN 0.532 nan 8.230 nan 0.000 0.587 255 N N 1.427 120.149 118.700 0.038 0.000 2.430 255 N HA 0.209 4.949 4.740 -0.001 0.000 0.265 255 N C -0.088 175.436 175.510 0.023 0.000 1.100 255 N CA 0.072 53.141 53.050 0.030 0.000 0.961 255 N CB 0.508 39.017 38.487 0.037 0.000 1.075 255 N HN 0.595 nan 8.380 nan 0.000 0.478 256 L N 2.732 123.963 121.223 0.014 0.000 2.700 256 L HA 0.216 4.555 4.340 -0.001 0.000 0.234 256 L C 1.188 178.061 176.870 0.005 0.000 1.156 256 L CA -0.269 54.576 54.840 0.008 0.000 0.946 256 L CB -0.152 41.910 42.059 0.004 0.000 1.216 256 L HN 0.391 nan 8.230 nan 0.000 0.493 257 N N 0.652 119.356 118.700 0.007 0.000 2.381 257 N HA -0.059 4.681 4.740 -0.001 0.000 0.182 257 N C 0.640 176.152 175.510 0.002 0.000 1.025 257 N CA 0.737 53.789 53.050 0.004 0.000 0.888 257 N CB 0.253 38.741 38.487 0.003 0.000 0.965 257 N HN 0.464 nan 8.380 nan 0.000 0.438 258 S N -1.680 114.023 115.700 0.004 0.000 2.565 258 S HA 0.325 4.794 4.470 -0.001 0.000 0.269 258 S C -0.082 174.521 174.600 0.003 0.000 1.153 258 S CA -0.865 57.337 58.200 0.002 0.000 0.835 258 S CB 1.783 64.984 63.200 0.001 0.000 1.122 258 S HN -0.268 nan 8.310 nan 0.000 0.462 259 D N 1.091 121.491 120.400 -0.001 0.000 2.149 259 D HA -0.066 4.574 4.640 -0.001 0.000 0.198 259 D C 1.504 177.810 176.300 0.011 0.000 0.990 259 D CA 1.784 55.781 54.000 -0.005 0.000 0.839 259 D CB -0.126 40.668 40.800 -0.010 0.000 0.948 259 D HN 0.683 nan 8.370 nan 0.000 0.460 260 E N 0.704 120.915 120.200 0.018 0.000 2.051 260 E HA -0.122 4.228 4.350 -0.001 0.000 0.192 260 E C 2.048 178.685 176.600 0.063 0.000 0.991 260 E CA 0.779 57.201 56.400 0.038 0.000 0.799 260 E CB -0.170 29.541 29.700 0.019 0.000 0.748 260 E HN 0.318 nan 8.360 nan 0.000 0.449 261 E N 0.236 120.460 120.200 0.041 0.000 2.051 261 E HA -0.168 4.182 4.350 -0.001 0.000 0.192 261 E C 2.139 178.791 176.600 0.087 0.000 0.991 261 E CA 0.692 57.126 56.400 0.057 0.000 0.799 261 E CB -0.343 29.374 29.700 0.029 0.000 0.748 261 E HN 0.158 nan 8.360 nan 0.000 0.449 262 L N 1.403 122.654 121.223 0.046 0.000 1.970 262 L HA -0.155 4.185 4.340 -0.001 0.000 0.212 262 L C 2.284 179.173 176.870 0.032 0.000 1.071 262 L CA 1.558 56.413 54.840 0.025 0.000 0.751 262 L CB -0.721 41.331 42.059 -0.013 0.000 0.889 262 L HN 0.059 nan 8.230 nan 0.000 0.432 263 I N -0.778 119.813 120.570 0.035 0.000 2.208 263 I HA -0.347 3.823 4.170 -0.001 0.000 0.245 263 I C 2.640 178.837 176.117 0.134 0.000 1.097 263 I CA 1.636 62.975 61.300 0.065 0.000 1.363 263 I CB -0.729 37.313 38.000 0.071 0.000 1.051 263 I HN 0.520 nan 8.210 nan 0.000 0.413 264 H N 0.637 119.743 119.070 0.060 0.000 2.321 264 H HA -0.262 4.293 4.556 -0.001 0.000 0.300 264 H C 2.486 177.850 175.328 0.060 0.000 1.087 264 H CA 2.312 58.396 56.048 0.059 0.000 1.319 264 H CB -0.274 29.510 29.762 0.037 0.000 1.379 264 H HN 0.502 nan 8.280 nan 0.000 0.501 265 c N 1.048 119.686 118.600 0.064 0.000 2.413 265 c HA -0.113 4.457 4.570 -0.001 0.000 0.276 265 c C 3.097 177.175 174.090 -0.020 0.000 1.236 265 c CA 0.966 57.305 56.329 0.016 0.000 1.735 265 c CB -1.442 41.112 42.510 0.074 0.000 2.031 265 c HN 0.592 nan 8.230 nan 0.000 0.474 266 L N 0.133 121.378 121.223 0.037 0.000 2.191 266 L HA -0.095 4.245 4.340 -0.001 0.000 0.212 266 L C 2.947 179.893 176.870 0.127 0.000 1.103 266 L CA 1.419 56.319 54.840 0.099 0.000 0.769 266 L CB -0.666 41.469 42.059 0.128 0.000 0.908 266 L HN 0.376 nan 8.230 nan 0.000 0.438 267 R N -0.405 120.132 120.500 0.062 0.000 2.236 267 R HA -0.076 4.263 4.340 -0.001 0.000 0.208 267 R C 1.702 177.941 176.300 -0.101 0.000 1.036 267 R CA 0.501 56.580 56.100 -0.036 0.000 1.001 267 R CB 0.101 30.369 30.300 -0.053 0.000 0.896 267 R HN 0.291 nan 8.270 nan 0.000 0.464 268 E N 0.571 120.689 120.200 -0.137 0.000 2.385 268 E HA 0.017 4.367 4.350 -0.001 0.000 0.194 268 E C 0.083 176.660 176.600 -0.038 0.000 1.013 268 E CA 0.552 56.885 56.400 -0.112 0.000 0.866 268 E CB 0.225 29.839 29.700 -0.144 0.000 0.832 268 E HN 0.062 nan 8.360 nan 0.000 0.500 269 K N 1.592 121.986 120.400 -0.011 0.000 2.295 269 K HA 0.179 4.498 4.320 -0.001 0.000 0.270 269 K C 0.501 177.126 176.600 0.042 0.000 1.011 269 K CA -0.106 56.194 56.287 0.023 0.000 0.953 269 K CB 0.976 33.499 32.500 0.038 0.000 0.956 269 K HN -0.091 nan 8.250 nan 0.000 0.477 270 K N 2.129 122.560 120.400 0.051 0.000 2.219 270 K HA 0.049 4.369 4.320 -0.001 0.000 0.258 270 K C -1.567 175.108 176.600 0.125 0.000 1.008 270 K CA -1.560 54.765 56.287 0.063 0.000 0.928 270 K CB 0.213 32.742 32.500 0.047 0.000 0.983 270 K HN 0.173 nan 8.250 nan 0.000 0.484 271 P HA -0.236 nan 4.420 nan 0.000 0.215 271 P C 1.078 178.557 177.300 0.298 0.000 1.163 271 P CA 1.290 64.575 63.100 0.308 0.000 0.894 271 P CB 0.243 31.974 31.700 0.052 0.000 0.791 272 Q N 0.080 119.979 119.800 0.165 0.000 2.291 272 Q HA -0.191 4.148 4.340 -0.001 0.000 0.206 272 Q C 1.845 177.934 176.000 0.148 0.000 0.976 272 Q CA 1.611 57.505 55.803 0.151 0.000 0.875 272 Q CB -0.819 27.976 28.738 0.094 0.000 0.927 272 Q HN 0.372 nan 8.270 nan 0.000 0.450 273 E N -0.942 119.334 120.200 0.127 0.000 2.106 273 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 273 E C 1.588 178.251 176.600 0.105 0.000 0.984 273 E CA 0.885 57.346 56.400 0.102 0.000 0.806 273 E CB -0.003 29.743 29.700 0.076 0.000 0.750 273 E HN 0.239 nan 8.360 nan 0.000 0.458 274 L N 0.628 121.916 121.223 0.108 0.000 2.072 274 L HA -0.115 4.224 4.340 -0.001 0.000 0.205 274 L C 2.212 179.144 176.870 0.103 0.000 1.079 274 L CA 1.354 56.220 54.840 0.043 0.000 0.752 274 L CB -0.373 41.619 42.059 -0.111 0.000 0.906 274 L HN 0.127 nan 8.230 nan 0.000 0.436 275 I N -0.507 120.186 120.570 0.206 0.000 2.286 275 I HA -0.283 3.887 4.170 -0.001 0.000 0.248 275 I C 1.809 178.104 176.117 0.298 0.000 1.115 275 I CA 1.006 62.476 61.300 0.284 0.000 1.392 275 I CB -0.354 37.852 38.000 0.344 0.000 1.065 275 I HN 0.246 nan 8.210 nan 0.000 0.418 276 D N 0.184 120.724 120.400 0.233 0.000 2.263 276 D HA -0.105 4.535 4.640 -0.001 0.000 0.208 276 D C 1.817 178.247 176.300 0.216 0.000 0.971 276 D CA 1.349 55.485 54.000 0.227 0.000 0.867 276 D CB 0.120 41.014 40.800 0.157 0.000 0.929 276 D HN 0.383 nan 8.370 nan 0.000 0.492 277 V N -2.465 117.553 119.914 0.172 0.000 3.380 277 V HA 0.213 4.333 4.120 -0.001 0.000 0.307 277 V C 1.704 177.871 176.094 0.121 0.000 1.434 277 V CA -0.044 62.342 62.300 0.143 0.000 1.075 277 V CB 0.306 32.189 31.823 0.100 0.000 0.954 277 V HN -0.067 nan 8.190 nan 0.000 0.444 278 E N 0.996 121.258 120.200 0.103 0.000 2.097 278 E HA -0.266 4.084 4.350 -0.001 0.000 0.196 278 E C 1.478 177.930 176.600 -0.246 0.000 1.000 278 E CA 2.565 58.955 56.400 -0.017 0.000 0.804 278 E CB -0.231 29.397 29.700 -0.121 0.000 0.740 278 E HN 0.796 nan 8.360 nan 0.000 0.454 279 W N 0.664 121.949 121.300 -0.026 0.000 3.077 279 W HA 0.093 4.753 4.660 -0.001 0.000 0.245 279 W C 1.347 177.821 176.519 -0.075 0.000 1.316 279 W CA -0.161 57.122 57.345 -0.103 0.000 1.537 279 W CB 0.144 29.508 29.460 -0.160 0.000 1.131 279 W HN 0.084 nan 8.180 nan 0.000 0.695 280 N N 0.053 118.821 118.700 0.113 0.000 2.461 280 N HA -0.070 4.670 4.740 -0.001 0.000 0.188 280 N C 1.692 177.199 175.510 -0.004 0.000 1.134 280 N CA 1.097 54.186 53.050 0.065 0.000 0.878 280 N CB -0.240 38.288 38.487 0.067 0.000 0.972 280 N HN 0.244 nan 8.380 nan 0.000 0.456 281 V N -2.283 117.590 119.914 -0.068 0.000 3.650 281 V HA 0.266 4.385 4.120 -0.001 0.000 0.271 281 V C 0.763 176.746 176.094 -0.185 0.000 1.281 281 V CA -0.111 62.111 62.300 -0.131 0.000 1.120 281 V CB -0.562 31.152 31.823 -0.181 0.000 0.856 281 V HN -0.032 nan 8.190 nan 0.000 0.443 282 L N 2.339 123.469 121.223 -0.155 0.000 2.485 282 L HA 0.192 4.532 4.340 -0.001 0.000 0.275 282 L C -0.302 176.442 176.870 -0.211 0.000 1.207 282 L CA -0.764 53.975 54.840 -0.168 0.000 0.855 282 L CB 0.524 42.545 42.059 -0.063 0.000 1.114 282 L HN 0.168 nan 8.230 nan 0.000 0.485 283 P HA -0.018 nan 4.420 nan 0.000 0.224 283 P C -0.214 176.705 177.300 -0.636 0.000 1.157 283 P CA 1.049 63.781 63.100 -0.614 0.000 0.799 283 P CB 0.327 31.445 31.700 -0.970 0.000 0.809 284 F N -0.391 119.550 119.950 -0.014 0.000 2.611 284 F HA 0.404 4.931 4.527 -0.001 0.000 0.324 284 F C 0.352 176.152 175.800 0.001 0.000 1.061 284 F CA -1.764 56.235 58.000 -0.002 0.000 0.954 284 F CB 0.134 39.139 39.000 0.008 0.000 1.301 284 F HN -0.356 nan 8.300 nan 0.000 0.482 285 D N 1.231 121.770 120.400 0.232 0.000 2.338 285 D HA 0.421 5.061 4.640 -0.001 0.000 0.255 285 D C -0.612 175.759 176.300 0.120 0.000 1.237 285 D CA 0.386 54.460 54.000 0.123 0.000 0.883 285 D CB 0.359 41.211 40.800 0.086 0.000 1.087 285 D HN 0.634 nan 8.370 nan 0.000 0.485 286 S N 2.719 118.477 115.700 0.097 0.000 2.688 286 S HA 0.747 5.217 4.470 -0.001 0.000 0.275 286 S C -0.376 174.251 174.600 0.045 0.000 1.175 286 S CA -0.998 57.249 58.200 0.078 0.000 0.818 286 S CB 0.731 64.007 63.200 0.126 0.000 1.157 286 S HN 0.483 nan 8.310 nan 0.000 0.482 287 I N -3.374 117.222 120.570 0.042 0.000 2.934 287 I HA 0.802 4.971 4.170 -0.001 0.000 0.306 287 I C -0.443 175.707 176.117 0.056 0.000 1.110 287 I CA -1.154 60.175 61.300 0.048 0.000 1.019 287 I CB 1.460 39.508 38.000 0.081 0.000 1.227 287 I HN 0.777 nan 8.210 nan 0.000 0.434 288 F N 1.760 121.606 119.950 -0.173 0.000 3.080 288 F HA -0.171 4.356 4.527 -0.001 0.000 0.292 288 F C -0.418 174.909 175.800 -0.789 0.000 0.891 288 F CA 0.594 58.293 58.000 -0.502 0.000 1.086 288 F CB -0.598 38.039 39.000 -0.604 0.000 1.095 288 F HN 0.608 nan 8.300 nan 0.000 0.633 289 R N 0.589 120.643 120.500 -0.744 0.000 2.574 289 R HA 0.584 4.924 4.340 -0.001 0.000 0.288 289 R C -0.998 174.817 176.300 -0.808 0.000 1.004 289 R CA -0.528 55.187 56.100 -0.641 0.000 0.895 289 R CB 1.182 31.390 30.300 -0.153 0.000 1.191 289 R HN -0.010 nan 8.270 nan 0.000 0.444 290 F N -0.541 119.512 119.950 0.172 0.000 2.546 290 F HA 0.385 4.912 4.527 -0.001 0.000 0.320 290 F C 1.617 177.304 175.800 -0.188 0.000 1.076 290 F CA -0.868 57.141 58.000 0.015 0.000 0.928 290 F CB 1.631 40.767 39.000 0.227 0.000 1.189 290 F HN 0.346 nan 8.300 nan 0.000 0.465 291 S N 0.642 116.133 115.700 -0.348 0.000 2.343 291 S HA -0.059 4.410 4.470 -0.001 0.000 0.219 291 S C 0.071 174.186 174.600 -0.807 0.000 1.033 291 S CA 1.232 59.023 58.200 -0.681 0.000 1.014 291 S CB -0.268 62.339 63.200 -0.989 0.000 0.915 291 S HN 0.345 nan 8.310 nan 0.000 0.435 292 F N 1.682 121.619 119.950 -0.022 0.000 2.375 292 F HA 0.579 5.105 4.527 -0.001 0.000 0.361 292 F C 0.066 175.885 175.800 0.032 0.000 1.117 292 F CA -0.985 57.047 58.000 0.053 0.000 1.037 292 F CB 1.183 40.254 39.000 0.118 0.000 1.192 292 F HN -0.063 nan 8.300 nan 0.000 0.452 293 V N 0.853 120.747 119.914 -0.033 0.000 3.167 293 V HA 0.748 4.868 4.120 -0.001 0.000 0.310 293 V C -2.937 172.858 176.094 -0.498 0.000 1.207 293 V CA -3.316 58.658 62.300 -0.544 0.000 1.059 293 V CB 1.962 33.589 31.823 -0.326 0.000 1.079 293 V HN 0.266 nan 8.190 nan 0.000 0.446 294 P HA 0.225 nan 4.420 nan 0.000 0.266 294 P C -0.597 176.611 177.300 -0.153 0.000 1.193 294 P CA 0.360 63.265 63.100 -0.325 0.000 0.770 294 P CB 0.410 31.838 31.700 -0.453 0.000 0.836 295 V N 1.264 121.187 119.914 0.016 0.000 2.555 295 V HA 0.424 4.543 4.120 -0.001 0.000 0.302 295 V C 0.000 176.138 176.094 0.073 0.000 1.038 295 V CA -0.815 61.483 62.300 -0.003 0.000 0.887 295 V CB 1.729 33.566 31.823 0.024 0.000 0.991 295 V HN 0.223 nan 8.190 nan 0.000 0.434 296 I N 5.253 125.795 120.570 -0.048 0.000 2.357 296 I HA 0.178 4.348 4.170 -0.001 0.000 0.300 296 I C 0.909 177.026 176.117 0.000 0.000 1.159 296 I CA 0.261 61.554 61.300 -0.010 0.000 1.339 296 I CB -0.091 37.827 38.000 -0.138 0.000 1.458 296 I HN 0.972 nan 8.210 nan 0.000 0.577 297 D N 3.287 123.748 120.400 0.102 0.000 2.367 297 D HA 0.050 4.690 4.640 -0.001 0.000 0.207 297 D C 1.403 177.697 176.300 -0.010 0.000 1.034 297 D CA 0.754 54.719 54.000 -0.059 0.000 0.861 297 D CB 0.443 41.297 40.800 0.090 0.000 0.943 297 D HN 0.630 nan 8.370 nan 0.000 0.515 298 G N 0.335 109.192 108.800 0.095 0.000 2.176 298 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.253 298 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.253 298 G C 0.761 175.728 174.900 0.112 0.000 0.979 298 G CA 0.644 45.801 45.100 0.095 0.000 0.641 298 G HN 0.466 nan 8.290 nan 0.000 0.530 299 E N -1.611 118.670 120.200 0.134 0.000 2.941 299 E HA 0.425 4.775 4.350 -0.001 0.000 0.180 299 E C 1.702 178.329 176.600 0.045 0.000 1.130 299 E CA -0.151 56.307 56.400 0.097 0.000 1.243 299 E CB -0.053 29.724 29.700 0.128 0.000 1.582 299 E HN 0.183 nan 8.360 nan 0.000 0.499 300 F N 0.735 120.616 119.950 -0.116 0.000 2.134 300 F HA 0.019 4.546 4.527 -0.001 0.000 0.299 300 F C 0.073 175.591 175.800 -0.470 0.000 1.097 300 F CA 1.094 58.890 58.000 -0.339 0.000 1.264 300 F CB 0.309 39.009 39.000 -0.499 0.000 1.001 300 F HN -0.117 nan 8.300 nan 0.000 0.479 301 F N 0.809 120.907 119.950 0.246 0.000 2.375 301 F HA 0.360 4.886 4.527 -0.001 0.000 0.361 301 F C -1.655 174.184 175.800 0.064 0.000 1.117 301 F CA -2.852 55.230 58.000 0.136 0.000 1.037 301 F CB 0.659 39.731 39.000 0.121 0.000 1.192 301 F HN -0.234 nan 8.300 nan 0.000 0.452 302 P HA -0.087 nan 4.420 nan 0.000 0.215 302 P C 0.475 177.832 177.300 0.094 0.000 1.157 302 P CA 1.634 64.792 63.100 0.097 0.000 0.868 302 P CB 0.191 31.924 31.700 0.055 0.000 0.788 303 T N -5.783 108.834 114.554 0.104 0.000 2.669 303 T HA 0.480 4.829 4.350 -0.001 0.000 0.283 303 T C -0.188 174.547 174.700 0.059 0.000 1.019 303 T CA -0.655 61.484 62.100 0.065 0.000 1.039 303 T CB 0.692 69.585 68.868 0.042 0.000 1.374 303 T HN -0.008 nan 8.240 nan 0.000 0.523 304 S N 0.067 115.778 115.700 0.018 0.000 2.563 304 S HA 0.148 4.618 4.470 -0.001 0.000 0.284 304 S C 1.494 176.090 174.600 -0.006 0.000 1.331 304 S CA -0.682 57.507 58.200 -0.019 0.000 1.047 304 S CB -0.395 62.792 63.200 -0.022 0.000 0.859 304 S HN 0.654 nan 8.310 nan 0.000 0.514 305 L N 0.562 121.744 121.223 -0.068 0.000 2.083 305 L HA -0.100 4.240 4.340 -0.001 0.000 0.209 305 L C 2.902 179.801 176.870 0.047 0.000 1.083 305 L CA 1.853 56.671 54.840 -0.036 0.000 0.752 305 L CB -0.749 41.222 42.059 -0.147 0.000 0.899 305 L HN 0.799 nan 8.230 nan 0.000 0.433 306 E N 0.688 120.911 120.200 0.038 0.000 2.072 306 E HA -0.185 4.165 4.350 -0.001 0.000 0.191 306 E C 2.262 178.920 176.600 0.096 0.000 0.985 306 E CA 1.678 58.135 56.400 0.094 0.000 0.801 306 E CB -0.071 29.671 29.700 0.070 0.000 0.750 306 E HN 0.473 nan 8.360 nan 0.000 0.452 307 S N -0.509 115.229 115.700 0.063 0.000 2.406 307 S HA -0.121 4.348 4.470 -0.001 0.000 0.228 307 S C 2.119 176.757 174.600 0.062 0.000 1.020 307 S CA 1.113 59.347 58.200 0.056 0.000 0.965 307 S CB -0.344 62.876 63.200 0.033 0.000 0.798 307 S HN 0.241 nan 8.310 nan 0.000 0.488 308 M N 1.007 120.659 119.600 0.088 0.000 2.132 308 M HA 0.047 4.526 4.480 -0.001 0.000 0.263 308 M C 2.227 178.648 176.300 0.201 0.000 1.065 308 M CA 1.385 56.758 55.300 0.121 0.000 1.122 308 M CB -0.656 32.052 32.600 0.179 0.000 1.365 308 M HN 0.298 nan 8.290 nan 0.000 0.411 309 L N -0.026 121.334 121.223 0.229 0.000 2.046 309 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 309 L C 2.242 179.260 176.870 0.247 0.000 1.077 309 L CA 0.949 55.963 54.840 0.289 0.000 0.747 309 L CB -0.780 41.375 42.059 0.159 0.000 0.896 309 L HN 0.372 nan 8.230 nan 0.000 0.432 310 N N -0.279 118.511 118.700 0.151 0.000 2.188 310 N HA -0.132 4.608 4.740 -0.001 0.000 0.184 310 N C 1.939 177.504 175.510 0.092 0.000 1.018 310 N CA 1.718 54.852 53.050 0.139 0.000 0.858 310 N CB -0.075 38.477 38.487 0.109 0.000 0.989 310 N HN 0.345 nan 8.380 nan 0.000 0.426 311 S N -1.274 114.399 115.700 -0.045 0.000 2.575 311 S HA 0.255 4.725 4.470 -0.001 0.000 0.215 311 S C 1.313 175.509 174.600 -0.673 0.000 0.966 311 S CA 0.477 58.565 58.200 -0.186 0.000 0.911 311 S CB 0.358 63.481 63.200 -0.127 0.000 0.780 311 S HN 0.376 nan 8.310 nan 0.000 0.514 312 G N 1.929 110.110 108.800 -1.032 0.000 2.136 312 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.242 312 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.242 312 G C -0.030 174.024 174.900 -1.410 0.000 0.989 312 G CA 0.017 43.871 45.100 -2.076 0.000 0.682 312 G HN 0.595 nan 8.290 nan 0.000 0.522 313 N N 0.709 119.003 118.700 -0.676 0.000 2.895 313 N HA 0.507 5.247 4.740 -0.001 0.000 0.277 313 N C -0.168 175.291 175.510 -0.085 0.000 1.185 313 N CA -0.072 52.781 53.050 -0.327 0.000 1.106 313 N CB -0.923 37.492 38.487 -0.120 0.000 1.422 313 N HN 0.757 nan 8.380 nan 0.000 0.521 314 F N -1.070 118.825 119.950 -0.091 0.000 2.770 314 F HA 0.387 4.914 4.527 -0.000 0.000 0.313 314 F C -0.422 175.396 175.800 0.031 0.000 1.154 314 F CA -1.437 56.579 58.000 0.027 0.000 0.923 314 F CB 0.584 39.664 39.000 0.132 0.000 1.301 314 F HN -0.134 nan 8.300 nan 0.000 0.449 315 K N 2.035 122.687 120.400 0.420 0.000 2.451 315 K HA 0.194 4.514 4.320 -0.001 0.000 0.280 315 K C -0.985 175.868 176.600 0.421 0.000 1.020 315 K CA -0.135 56.312 56.287 0.266 0.000 1.008 315 K CB 0.488 33.085 32.500 0.162 0.000 0.917 315 K HN 0.757 nan 8.250 nan 0.000 0.478 316 K N 3.230 123.755 120.400 0.208 0.000 2.281 316 K HA 0.184 4.504 4.320 -0.001 0.000 0.272 316 K C -0.266 176.454 176.600 0.199 0.000 1.048 316 K CA -0.442 55.968 56.287 0.206 0.000 0.898 316 K CB 1.839 34.364 32.500 0.041 0.000 1.128 316 K HN 0.655 nan 8.250 nan 0.000 0.460 317 T N 1.345 116.097 114.554 0.329 0.000 2.627 317 T HA 0.200 4.549 4.350 -0.001 0.000 0.294 317 T C -1.477 173.413 174.700 0.317 0.000 1.230 317 T CA -0.571 61.670 62.100 0.236 0.000 1.084 317 T CB 0.929 69.904 68.868 0.179 0.000 1.693 317 T HN 0.415 nan 8.240 nan 0.000 0.465 318 Q N 0.866 120.819 119.800 0.255 0.000 2.214 318 Q HA 0.784 5.123 4.340 -0.001 0.000 0.251 318 Q C -0.438 175.844 176.000 0.469 0.000 0.936 318 Q CA -0.508 55.498 55.803 0.338 0.000 0.894 318 Q CB 1.456 30.353 28.738 0.266 0.000 1.252 318 Q HN 0.690 nan 8.270 nan 0.000 0.448 319 I N -1.641 119.169 120.570 0.400 0.000 2.802 319 I HA 0.681 4.850 4.170 -0.001 0.000 0.298 319 I C -1.604 174.406 176.117 -0.178 0.000 1.176 319 I CA -1.335 60.059 61.300 0.156 0.000 1.025 319 I CB 1.911 39.829 38.000 -0.136 0.000 1.243 319 I HN 0.545 nan 8.210 nan 0.000 0.424 320 L N 6.820 127.695 121.223 -0.579 0.000 2.381 320 L HA 0.806 5.145 4.340 -0.001 0.000 0.274 320 L C -1.358 175.308 176.870 -0.340 0.000 0.988 320 L CA -0.532 53.889 54.840 -0.699 0.000 0.824 320 L CB 1.663 42.814 42.059 -1.513 0.000 1.263 320 L HN 0.852 nan 8.230 nan 0.000 0.410 321 L N 2.434 123.590 121.223 -0.111 0.000 2.600 321 L HA 1.111 5.450 4.340 -0.001 0.000 0.257 321 L C -0.803 175.879 176.870 -0.313 0.000 1.048 321 L CA -0.449 54.351 54.840 -0.066 0.000 0.869 321 L CB 1.943 43.950 42.059 -0.087 0.000 1.482 321 L HN 0.673 nan 8.230 nan 0.000 0.408 322 G N -0.139 108.270 108.800 -0.652 0.000 2.342 322 G HA2 0.569 4.528 3.960 -0.001 0.000 0.297 322 G HA3 0.569 4.528 3.960 -0.001 0.000 0.297 322 G C -1.526 173.027 174.900 -0.578 0.000 1.313 322 G CA 0.006 44.380 45.100 -1.209 0.000 0.830 322 G HN 1.419 nan 8.290 nan 0.000 0.506 323 V N -2.441 117.312 119.914 -0.267 0.000 3.158 323 V HA 0.871 4.990 4.120 -0.001 0.000 0.311 323 V C -0.820 175.386 176.094 0.187 0.000 1.181 323 V CA -1.457 60.894 62.300 0.086 0.000 1.054 323 V CB 1.930 33.829 31.823 0.128 0.000 1.085 323 V HN 0.664 nan 8.190 nan 0.000 0.446 324 N N 0.728 119.551 118.700 0.204 0.000 2.472 324 N HA 0.423 5.163 4.740 -0.001 0.000 0.289 324 N C 0.567 176.040 175.510 -0.062 0.000 1.156 324 N CA -0.599 52.547 53.050 0.160 0.000 0.940 324 N CB 1.754 40.435 38.487 0.324 0.000 1.200 324 N HN 0.905 nan 8.380 nan 0.000 0.511 325 K N 0.105 120.353 120.400 -0.253 0.000 2.063 325 K HA -0.079 4.241 4.320 -0.001 0.000 0.208 325 K C -0.647 176.028 176.600 0.125 0.000 1.048 325 K CA 1.272 57.471 56.287 -0.145 0.000 0.928 325 K CB 0.182 32.625 32.500 -0.095 0.000 0.713 325 K HN 0.529 nan 8.250 nan 0.000 0.442 326 D N 1.283 121.759 120.400 0.128 0.000 2.683 326 D HA 0.039 4.678 4.640 -0.001 0.000 0.309 326 D C 0.223 176.636 176.300 0.188 0.000 1.238 326 D CA -0.088 54.007 54.000 0.157 0.000 0.936 326 D CB 1.275 42.145 40.800 0.118 0.000 1.001 326 D HN 0.155 nan 8.370 nan 0.000 0.505 327 E N 0.592 120.922 120.200 0.216 0.000 2.160 327 E HA -0.124 4.226 4.350 -0.001 0.000 0.195 327 E C 2.010 178.776 176.600 0.276 0.000 0.991 327 E CA 0.698 57.254 56.400 0.261 0.000 0.810 327 E CB 0.056 29.874 29.700 0.198 0.000 0.742 327 E HN 0.438 nan 8.360 nan 0.000 0.466 328 G N 1.320 110.251 108.800 0.219 0.000 2.511 328 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.217 328 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.217 328 G C 1.746 176.821 174.900 0.292 0.000 1.133 328 G CA 0.943 46.200 45.100 0.261 0.000 0.792 328 G HN 0.376 nan 8.290 nan 0.000 0.539 329 S N 0.702 116.528 115.700 0.210 0.000 2.374 329 S HA -0.185 4.285 4.470 -0.001 0.000 0.227 329 S C 2.092 176.729 174.600 0.062 0.000 1.037 329 S CA 1.127 59.413 58.200 0.144 0.000 1.024 329 S CB -0.583 62.595 63.200 -0.037 0.000 0.861 329 S HN 0.122 nan 8.310 nan 0.000 0.456 330 F N 2.146 121.976 119.950 -0.199 0.000 2.126 330 F HA 0.041 4.568 4.527 -0.001 0.000 0.299 330 F C 1.857 177.368 175.800 -0.482 0.000 1.096 330 F CA 0.204 57.914 58.000 -0.483 0.000 1.255 330 F CB -1.022 37.547 39.000 -0.718 0.000 0.997 330 F HN 0.193 nan 8.300 nan 0.000 0.479 331 F N -0.625 119.321 119.950 -0.007 0.000 2.259 331 F HA -0.107 4.420 4.527 -0.001 0.000 0.298 331 F C 2.294 178.064 175.800 -0.049 0.000 1.088 331 F CA 0.758 58.691 58.000 -0.112 0.000 1.358 331 F CB -1.087 37.799 39.000 -0.189 0.000 1.040 331 F HN -0.130 nan 8.300 nan 0.000 0.505 332 L N -0.661 120.580 121.223 0.030 0.000 2.072 332 L HA -0.166 4.173 4.340 -0.001 0.000 0.205 332 L C 2.445 179.199 176.870 -0.194 0.000 1.079 332 L CA 0.558 55.189 54.840 -0.347 0.000 0.752 332 L CB -0.672 40.790 42.059 -0.995 0.000 0.906 332 L HN 0.160 nan 8.230 nan 0.000 0.436 333 L N -0.943 120.383 121.223 0.172 0.000 2.013 333 L HA -0.270 4.070 4.340 -0.001 0.000 0.212 333 L C 2.331 179.396 176.870 0.326 0.000 1.073 333 L CA 2.061 57.167 54.840 0.445 0.000 0.753 333 L CB -0.694 41.664 42.059 0.499 0.000 0.890 333 L HN 0.118 nan 8.230 nan 0.000 0.432 334 Y N -0.643 119.720 120.300 0.105 0.000 2.395 334 Y HA 0.185 4.734 4.550 -0.001 0.000 0.293 334 Y C 2.267 178.166 175.900 -0.001 0.000 1.123 334 Y CA 1.065 59.193 58.100 0.047 0.000 1.227 334 Y CB -0.195 38.225 38.460 -0.067 0.000 1.012 334 Y HN 0.303 nan 8.280 nan 0.000 0.552 335 G N -1.770 107.111 108.800 0.134 0.000 3.443 335 G HA2 0.464 4.424 3.960 -0.001 0.000 0.252 335 G HA3 0.464 4.424 3.960 -0.001 0.000 0.252 335 G C -0.251 174.688 174.900 0.064 0.000 1.015 335 G CA 0.349 45.489 45.100 0.068 0.000 0.891 335 G HN 0.264 nan 8.290 nan 0.000 0.510 336 A N 1.685 124.552 122.820 0.078 0.000 2.317 336 A HA 0.818 5.137 4.320 -0.001 0.000 0.327 336 A C -2.478 175.275 177.584 0.281 0.000 1.178 336 A CA -1.586 50.534 52.037 0.139 0.000 0.817 336 A CB 1.354 20.388 19.000 0.057 0.000 1.189 336 A HN 0.065 nan 8.150 nan 0.000 0.489 337 P HA 0.255 nan 4.420 nan 0.000 0.268 337 P C 0.854 178.232 177.300 0.130 0.000 1.205 337 P CA 1.454 64.638 63.100 0.140 0.000 0.771 337 P CB 1.113 32.859 31.700 0.077 0.000 0.858 338 G N 1.560 110.375 108.800 0.025 0.000 2.234 338 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.235 338 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.235 338 G C -0.250 174.444 174.900 -0.343 0.000 0.997 338 G CA -0.466 44.530 45.100 -0.173 0.000 0.623 338 G HN 0.432 nan 8.290 nan 0.000 0.514 339 F N 2.338 122.227 119.950 -0.102 0.000 2.404 339 F HA 0.679 5.205 4.527 -0.001 0.000 0.339 339 F C 0.790 176.590 175.800 0.000 0.000 1.105 339 F CA 0.028 57.930 58.000 -0.164 0.000 1.087 339 F CB 2.182 41.126 39.000 -0.094 0.000 1.143 339 F HN 0.301 nan 8.300 nan 0.000 0.491 340 S N 1.298 117.122 115.700 0.206 0.000 2.550 340 S HA 0.349 4.819 4.470 -0.001 0.000 0.270 340 S C 0.296 175.146 174.600 0.417 0.000 1.145 340 S CA -1.221 57.148 58.200 0.280 0.000 0.852 340 S CB 2.100 65.386 63.200 0.143 0.000 1.119 340 S HN 0.680 nan 8.310 nan 0.000 0.465 341 K N 0.091 120.689 120.400 0.329 0.000 2.097 341 K HA -0.097 4.222 4.320 -0.001 0.000 0.206 341 K C -0.018 176.669 176.600 0.146 0.000 1.049 341 K CA 1.709 58.109 56.287 0.189 0.000 0.933 341 K CB -0.137 32.195 32.500 -0.280 0.000 0.717 341 K HN 0.609 nan 8.250 nan 0.000 0.442 342 D N 0.186 120.647 120.400 0.103 0.000 2.368 342 D HA 0.020 4.659 4.640 -0.001 0.000 0.218 342 D C 0.001 176.354 176.300 0.089 0.000 1.112 342 D CA 0.134 54.171 54.000 0.062 0.000 0.834 342 D CB 0.744 41.546 40.800 0.004 0.000 0.953 342 D HN 0.181 nan 8.370 nan 0.000 0.505 343 S N -1.083 114.694 115.700 0.127 0.000 2.671 343 S HA 0.357 4.827 4.470 -0.001 0.000 0.299 343 S C 0.770 175.420 174.600 0.084 0.000 1.116 343 S CA -0.743 57.493 58.200 0.060 0.000 0.912 343 S CB 2.373 65.563 63.200 -0.017 0.000 1.130 343 S HN -0.146 nan 8.310 nan 0.000 0.501 344 E N 0.628 120.833 120.200 0.008 0.000 2.418 344 E HA 0.058 4.408 4.350 -0.001 0.000 0.197 344 E C -0.369 176.018 176.600 -0.355 0.000 1.026 344 E CA 0.443 56.839 56.400 -0.007 0.000 0.862 344 E CB -0.224 29.477 29.700 0.000 0.000 0.799 344 E HN 0.701 nan 8.360 nan 0.000 0.518 345 S N 1.095 116.526 115.700 -0.448 0.000 3.706 345 S HA -0.171 4.298 4.470 -0.001 0.000 0.363 345 S C -0.278 173.948 174.600 -0.623 0.000 0.999 345 S CA 0.617 58.398 58.200 -0.699 0.000 1.143 345 S CB -1.193 61.222 63.200 -1.308 0.000 0.902 345 S HN 0.285 nan 8.310 nan 0.000 0.476 346 K N 0.984 121.164 120.400 -0.366 0.000 2.416 346 K HA 0.233 4.552 4.320 -0.001 0.000 0.283 346 K C 0.375 176.788 176.600 -0.311 0.000 1.037 346 K CA -0.042 56.082 56.287 -0.272 0.000 0.995 346 K CB 0.364 32.766 32.500 -0.164 0.000 0.938 346 K HN 0.232 nan 8.250 nan 0.000 0.475 347 I N 3.006 123.402 120.570 -0.290 0.000 2.331 347 I HA 0.028 4.198 4.170 -0.001 0.000 0.292 347 I C 1.063 177.107 176.117 -0.122 0.000 0.998 347 I CA -0.213 60.936 61.300 -0.252 0.000 1.267 347 I CB 0.987 38.851 38.000 -0.226 0.000 1.386 347 I HN 0.690 nan 8.210 nan 0.000 0.476 348 S N 6.266 121.908 115.700 -0.096 0.000 2.596 348 S HA 0.167 4.637 4.470 -0.001 0.000 0.260 348 S C 1.191 175.792 174.600 0.001 0.000 1.336 348 S CA -0.276 57.893 58.200 -0.051 0.000 0.993 348 S CB 1.365 64.542 63.200 -0.039 0.000 0.923 348 S HN 0.621 nan 8.310 nan 0.000 0.567 349 R N 0.841 121.340 120.500 -0.002 0.000 2.092 349 R HA -0.020 4.320 4.340 -0.001 0.000 0.231 349 R C 1.923 178.292 176.300 0.115 0.000 1.119 349 R CA 1.945 58.065 56.100 0.033 0.000 0.970 349 R CB -0.969 29.336 30.300 0.009 0.000 0.864 349 R HN 0.849 nan 8.270 nan 0.000 0.440 350 E N 0.170 120.414 120.200 0.074 0.000 2.106 350 E HA -0.123 4.227 4.350 -0.001 0.000 0.192 350 E C 1.495 178.145 176.600 0.084 0.000 0.984 350 E CA 1.482 57.928 56.400 0.076 0.000 0.806 350 E CB -0.181 29.546 29.700 0.044 0.000 0.750 350 E HN 0.325 nan 8.360 nan 0.000 0.458 351 D N -0.550 119.893 120.400 0.070 0.000 2.224 351 D HA -0.092 4.547 4.640 -0.001 0.000 0.205 351 D C 1.494 177.867 176.300 0.122 0.000 0.965 351 D CA 0.399 54.439 54.000 0.066 0.000 0.852 351 D CB -0.168 40.634 40.800 0.002 0.000 0.947 351 D HN 0.111 nan 8.370 nan 0.000 0.494 352 F N 1.237 121.191 119.950 0.006 0.000 2.075 352 F HA -0.210 4.317 4.527 -0.001 0.000 0.297 352 F C 2.152 177.979 175.800 0.045 0.000 1.113 352 F CA 1.195 59.213 58.000 0.030 0.000 1.218 352 F CB -0.121 38.878 39.000 -0.003 0.000 0.984 352 F HN -0.186 nan 8.300 nan 0.000 0.472 353 M N -0.059 119.647 119.600 0.177 0.000 2.080 353 M HA -0.216 4.263 4.480 -0.001 0.000 0.260 353 M C 2.366 178.659 176.300 -0.011 0.000 1.068 353 M CA 1.717 57.064 55.300 0.079 0.000 1.109 353 M CB -1.837 30.837 32.600 0.125 0.000 1.342 353 M HN 0.109 nan 8.290 nan 0.000 0.405 354 S N 0.551 116.260 115.700 0.015 0.000 2.370 354 S HA -0.080 4.389 4.470 -0.001 0.000 0.226 354 S C 2.076 176.662 174.600 -0.024 0.000 1.033 354 S CA 1.412 59.616 58.200 0.007 0.000 1.011 354 S CB -0.847 62.374 63.200 0.034 0.000 0.852 354 S HN 0.689 nan 8.310 nan 0.000 0.457 355 G N 1.260 110.035 108.800 -0.042 0.000 2.418 355 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.217 355 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.217 355 G C 1.457 176.261 174.900 -0.160 0.000 1.158 355 G CA 0.964 46.023 45.100 -0.068 0.000 0.771 355 G HN 0.420 nan 8.290 nan 0.000 0.545 356 V N 0.752 120.502 119.914 -0.274 0.000 2.295 356 V HA -0.147 3.972 4.120 -0.001 0.000 0.246 356 V C 2.844 178.856 176.094 -0.136 0.000 1.049 356 V CA 1.970 64.122 62.300 -0.247 0.000 1.024 356 V CB -0.337 31.328 31.823 -0.263 0.000 0.648 356 V HN 0.201 nan 8.190 nan 0.000 0.447 357 K N 0.117 120.455 120.400 -0.103 0.000 2.032 357 K HA -0.125 4.194 4.320 -0.001 0.000 0.209 357 K C 2.071 178.625 176.600 -0.077 0.000 1.048 357 K CA 1.679 57.917 56.287 -0.083 0.000 0.927 357 K CB -0.650 31.820 32.500 -0.050 0.000 0.712 357 K HN 0.417 nan 8.250 nan 0.000 0.441 358 L N 0.595 121.788 121.223 -0.050 0.000 2.131 358 L HA -0.155 4.185 4.340 -0.001 0.000 0.210 358 L C 2.279 179.135 176.870 -0.025 0.000 1.092 358 L CA 1.068 55.895 54.840 -0.021 0.000 0.759 358 L CB -0.271 41.787 42.059 -0.001 0.000 0.903 358 L HN 0.064 nan 8.230 nan 0.000 0.435 359 S N -1.038 114.629 115.700 -0.056 0.000 2.428 359 S HA -0.007 4.462 4.470 -0.001 0.000 0.230 359 S C 0.909 175.458 174.600 -0.085 0.000 1.014 359 S CA 0.518 58.683 58.200 -0.058 0.000 0.957 359 S CB 0.255 63.397 63.200 -0.097 0.000 0.784 359 S HN 0.169 nan 8.310 nan 0.000 0.499 360 V N 2.805 122.638 119.914 -0.135 0.000 2.405 360 V HA 0.204 4.324 4.120 -0.001 0.000 0.253 360 V C -1.784 174.145 176.094 -0.275 0.000 0.963 360 V CA -1.359 60.796 62.300 -0.241 0.000 1.003 360 V CB 0.882 32.530 31.823 -0.292 0.000 1.251 360 V HN 0.152 nan 8.190 nan 0.000 0.520 361 P HA -0.219 nan 4.420 nan 0.000 0.217 361 P C 1.206 178.097 177.300 -0.680 0.000 1.148 361 P CA 1.734 64.645 63.100 -0.315 0.000 0.828 361 P CB 0.007 31.635 31.700 -0.120 0.000 0.783 362 H N -0.879 117.859 119.070 -0.555 0.000 2.547 362 H HA 0.430 4.985 4.556 -0.001 0.000 0.266 362 H C 0.503 175.659 175.328 -0.288 0.000 0.988 362 H CA -0.053 55.699 56.048 -0.495 0.000 1.147 362 H CB -0.676 28.971 29.762 -0.193 0.000 1.365 362 H HN -0.002 nan 8.280 nan 0.000 0.589 363 A N 2.356 124.802 122.820 -0.623 0.000 2.327 363 A HA 0.276 4.595 4.320 -0.001 0.000 0.283 363 A C 0.367 177.800 177.584 -0.252 0.000 1.127 363 A CA -0.515 51.265 52.037 -0.427 0.000 0.810 363 A CB 0.496 19.247 19.000 -0.415 0.000 1.066 363 A HN 0.647 nan 8.150 nan 0.000 0.492 364 N N 1.227 119.823 118.700 -0.173 0.000 2.364 364 N HA 0.126 4.865 4.740 -0.001 0.000 0.264 364 N C -0.029 175.426 175.510 -0.091 0.000 1.263 364 N CA -0.308 52.674 53.050 -0.113 0.000 0.959 364 N CB 0.092 38.530 38.487 -0.082 0.000 1.204 364 N HN 0.470 nan 8.380 nan 0.000 0.550 365 D N -0.528 119.837 120.400 -0.058 0.000 2.133 365 D HA -0.137 4.503 4.640 -0.001 0.000 0.195 365 D C 1.640 177.928 176.300 -0.019 0.000 0.997 365 D CA 0.801 54.781 54.000 -0.033 0.000 0.840 365 D CB -0.122 40.667 40.800 -0.018 0.000 0.947 365 D HN 0.448 nan 8.370 nan 0.000 0.452 366 L N 0.379 121.587 121.223 -0.024 0.000 2.046 366 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 366 L C 2.173 179.040 176.870 -0.006 0.000 1.077 366 L CA 1.873 56.709 54.840 -0.007 0.000 0.747 366 L CB -0.920 41.128 42.059 -0.020 0.000 0.896 366 L HN 0.125 nan 8.230 nan 0.000 0.432 367 G N 0.020 108.788 108.800 -0.054 0.000 2.421 367 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.216 367 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.216 367 G C 1.617 176.505 174.900 -0.021 0.000 1.171 367 G CA 0.758 45.812 45.100 -0.077 0.000 0.775 367 G HN 0.376 nan 8.290 nan 0.000 0.543 368 L N 0.448 121.651 121.223 -0.033 0.000 2.083 368 L HA -0.068 4.271 4.340 -0.001 0.000 0.209 368 L C 2.512 179.422 176.870 0.066 0.000 1.083 368 L CA 1.144 55.983 54.840 -0.002 0.000 0.752 368 L CB -0.395 41.650 42.059 -0.022 0.000 0.899 368 L HN 0.102 nan 8.230 nan 0.000 0.433 369 D N 0.275 120.718 120.400 0.071 0.000 2.117 369 D HA -0.151 4.489 4.640 -0.001 0.000 0.197 369 D C 2.251 178.640 176.300 0.148 0.000 0.987 369 D CA 1.492 55.558 54.000 0.111 0.000 0.829 369 D CB -0.047 40.804 40.800 0.084 0.000 0.961 369 D HN 0.307 nan 8.370 nan 0.000 0.460 370 A N 0.684 123.604 122.820 0.166 0.000 1.883 370 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 370 A C 2.559 180.280 177.584 0.228 0.000 1.186 370 A CA 1.441 53.640 52.037 0.270 0.000 0.624 370 A CB -0.818 18.421 19.000 0.398 0.000 0.822 370 A HN 0.144 nan 8.150 nan 0.000 0.444 371 V N -0.265 119.794 119.914 0.241 0.000 2.261 371 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 371 V C 2.753 178.963 176.094 0.192 0.000 1.047 371 V CA 2.544 64.944 62.300 0.165 0.000 1.015 371 V CB -1.453 30.477 31.823 0.178 0.000 0.642 371 V HN 0.612 nan 8.190 nan 0.000 0.446 372 T N 0.677 115.364 114.554 0.221 0.000 2.665 372 T HA -0.248 4.102 4.350 -0.001 0.000 0.268 372 T C 1.897 176.778 174.700 0.301 0.000 1.035 372 T CA 2.094 64.398 62.100 0.340 0.000 1.151 372 T CB -0.440 68.626 68.868 0.331 0.000 0.862 372 T HN 0.290 nan 8.240 nan 0.000 0.438 373 L N 1.217 122.581 121.223 0.235 0.000 2.046 373 L HA -0.052 4.287 4.340 -0.001 0.000 0.208 373 L C 2.476 179.380 176.870 0.057 0.000 1.077 373 L CA 1.845 56.820 54.840 0.225 0.000 0.747 373 L CB -0.963 41.194 42.059 0.163 0.000 0.896 373 L HN 0.131 nan 8.230 nan 0.000 0.432 374 Q N -1.373 118.361 119.800 -0.111 0.000 2.226 374 Q HA -0.197 4.143 4.340 -0.001 0.000 0.204 374 Q C 1.055 176.810 176.000 -0.408 0.000 0.975 374 Q CA 1.834 57.396 55.803 -0.402 0.000 0.866 374 Q CB -0.204 27.952 28.738 -0.971 0.000 0.915 374 Q HN 0.693 nan 8.270 nan 0.000 0.440 375 Y N -1.312 118.952 120.300 -0.060 0.000 2.584 375 Y HA 0.340 4.889 4.550 -0.001 0.000 0.254 375 Y C -0.240 175.631 175.900 -0.050 0.000 1.177 375 Y CA -0.230 57.888 58.100 0.030 0.000 1.216 375 Y CB 1.000 39.582 38.460 0.203 0.000 1.172 375 Y HN -0.189 nan 8.280 nan 0.000 0.529 376 T N 0.688 115.199 114.554 -0.071 0.000 2.794 376 T HA 0.099 4.448 4.350 -0.001 0.000 0.280 376 T C -0.844 173.572 174.700 -0.473 0.000 0.987 376 T CA -0.656 61.189 62.100 -0.425 0.000 0.993 376 T CB 1.075 69.516 68.868 -0.712 0.000 0.939 376 T HN -0.019 nan 8.240 nan 0.000 0.449 377 D N 2.038 122.162 120.400 -0.460 0.000 2.393 377 D HA 0.107 4.746 4.640 -0.001 0.000 0.232 377 D C 0.033 176.094 176.300 -0.398 0.000 1.192 377 D CA -0.715 53.103 54.000 -0.303 0.000 0.882 377 D CB 0.350 41.031 40.800 -0.200 0.000 1.038 377 D HN 0.610 nan 8.370 nan 0.000 0.499 378 W N 3.064 124.328 121.300 -0.060 0.000 2.848 378 W HA 0.031 4.691 4.660 -0.001 0.000 0.241 378 W C 1.876 178.368 176.519 -0.044 0.000 1.289 378 W CA -0.052 57.262 57.345 -0.052 0.000 1.396 378 W CB -0.005 29.429 29.460 -0.043 0.000 1.138 378 W HN 0.414 nan 8.180 nan 0.000 0.677 379 M N -1.021 118.624 119.600 0.074 0.000 2.509 379 M HA 0.050 4.530 4.480 -0.001 0.000 0.250 379 M C 0.224 176.525 176.300 0.001 0.000 1.132 379 M CA 1.009 56.340 55.300 0.052 0.000 1.080 379 M CB 0.337 32.952 32.600 0.024 0.000 1.408 379 M HN -0.242 nan 8.290 nan 0.000 0.484 380 D N 0.139 120.500 120.400 -0.065 0.000 3.453 380 D HA -0.005 4.635 4.640 -0.001 0.000 0.312 380 D C 0.319 176.506 176.300 -0.188 0.000 1.349 380 D CA 0.068 54.011 54.000 -0.095 0.000 0.739 380 D CB 0.235 40.986 40.800 -0.081 0.000 1.312 380 D HN 0.205 nan 8.370 nan 0.000 0.628 381 D N -0.708 119.547 120.400 -0.242 0.000 2.263 381 D HA -0.142 4.498 4.640 -0.001 0.000 0.208 381 D C 0.514 176.631 176.300 -0.304 0.000 0.971 381 D CA 0.386 54.129 54.000 -0.428 0.000 0.867 381 D CB 0.103 40.544 40.800 -0.598 0.000 0.929 381 D HN 0.191 nan 8.370 nan 0.000 0.492 382 N N 0.797 119.394 118.700 -0.171 0.000 2.276 382 N HA -0.037 4.703 4.740 -0.001 0.000 0.212 382 N C -0.029 175.408 175.510 -0.122 0.000 1.127 382 N CA -0.173 52.799 53.050 -0.129 0.000 0.834 382 N CB 0.020 38.466 38.487 -0.069 0.000 1.014 382 N HN 0.158 nan 8.380 nan 0.000 0.491 383 N N 1.055 119.667 118.700 -0.145 0.000 2.405 383 N HA 0.043 4.783 4.740 -0.001 0.000 0.260 383 N C 1.292 176.729 175.510 -0.122 0.000 1.152 383 N CA 0.015 52.996 53.050 -0.114 0.000 0.948 383 N CB 0.950 39.372 38.487 -0.108 0.000 1.111 383 N HN 0.145 nan 8.380 nan 0.000 0.485 384 G N 4.135 112.874 108.800 -0.102 0.000 2.442 384 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.219 384 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.219 384 G C 1.532 176.372 174.900 -0.099 0.000 1.141 384 G CA 0.529 45.563 45.100 -0.111 0.000 0.763 384 G HN 0.694 nan 8.290 nan 0.000 0.554 385 I N -0.070 120.459 120.570 -0.067 0.000 2.286 385 I HA -0.078 4.092 4.170 -0.001 0.000 0.245 385 I C 2.783 178.899 176.117 -0.002 0.000 1.104 385 I CA 0.982 62.266 61.300 -0.026 0.000 1.397 385 I CB -0.120 37.877 38.000 -0.004 0.000 1.072 385 I HN 0.098 nan 8.210 nan 0.000 0.417 386 K N 0.597 120.976 120.400 -0.036 0.000 2.097 386 K HA -0.134 4.186 4.320 -0.001 0.000 0.205 386 K C 1.867 178.442 176.600 -0.042 0.000 1.050 386 K CA 1.237 57.501 56.287 -0.039 0.000 0.938 386 K CB -0.129 32.312 32.500 -0.099 0.000 0.718 386 K HN 0.271 nan 8.250 nan 0.000 0.442 387 N N 0.722 119.362 118.700 -0.101 0.000 2.142 387 N HA -0.155 4.584 4.740 -0.001 0.000 0.186 387 N C 1.691 177.328 175.510 0.211 0.000 1.023 387 N CA 0.852 53.861 53.050 -0.070 0.000 0.852 387 N CB -0.208 38.199 38.487 -0.134 0.000 0.998 387 N HN 0.156 nan 8.380 nan 0.000 0.424 388 R N 1.323 121.878 120.500 0.092 0.000 2.070 388 R HA -0.112 4.227 4.340 -0.001 0.000 0.233 388 R C 0.658 177.134 176.300 0.294 0.000 1.137 388 R CA 1.545 57.730 56.100 0.142 0.000 0.945 388 R CB -0.287 29.983 30.300 -0.050 0.000 0.845 388 R HN 0.122 nan 8.270 nan 0.000 0.430 389 D N -0.569 119.965 120.400 0.225 0.000 2.178 389 D HA -0.078 4.561 4.640 -0.001 0.000 0.201 389 D C 1.718 178.178 176.300 0.268 0.000 0.980 389 D CA 1.391 55.539 54.000 0.247 0.000 0.842 389 D CB -0.502 40.411 40.800 0.189 0.000 0.948 389 D HN 0.520 nan 8.370 nan 0.000 0.472 390 G N 0.562 109.536 108.800 0.291 0.000 2.422 390 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.218 390 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.218 390 G C 1.559 176.644 174.900 0.308 0.000 1.146 390 G CA 0.210 45.538 45.100 0.380 0.000 0.769 390 G HN 0.165 nan 8.290 nan 0.000 0.547 391 L N 0.987 122.410 121.223 0.334 0.000 2.056 391 L HA 0.010 4.350 4.340 -0.001 0.000 0.207 391 L C 2.371 179.299 176.870 0.098 0.000 1.078 391 L CA 1.564 56.481 54.840 0.128 0.000 0.749 391 L CB -0.655 41.553 42.059 0.248 0.000 0.901 391 L HN 0.163 nan 8.230 nan 0.000 0.433 392 D N -0.342 120.181 120.400 0.206 0.000 2.106 392 D HA -0.228 4.412 4.640 -0.001 0.000 0.191 392 D C 1.653 178.034 176.300 0.135 0.000 0.997 392 D CA 1.475 55.592 54.000 0.195 0.000 0.834 392 D CB 0.098 41.064 40.800 0.277 0.000 0.956 392 D HN 0.307 nan 8.370 nan 0.000 0.448 393 D N -0.057 120.437 120.400 0.157 0.000 2.117 393 D HA -0.109 4.531 4.640 -0.001 0.000 0.197 393 D C 2.392 178.688 176.300 -0.006 0.000 0.987 393 D CA 0.425 54.526 54.000 0.168 0.000 0.829 393 D CB -0.256 40.754 40.800 0.350 0.000 0.961 393 D HN 0.362 nan 8.370 nan 0.000 0.460 394 I N 0.625 121.042 120.570 -0.255 0.000 2.127 394 I HA -0.258 3.911 4.170 -0.001 0.000 0.241 394 I C 2.490 178.450 176.117 -0.261 0.000 1.075 394 I CA 0.763 61.821 61.300 -0.404 0.000 1.334 394 I CB -0.185 37.563 38.000 -0.420 0.000 1.040 394 I HN -0.113 nan 8.210 nan 0.000 0.405 395 V N 0.860 120.678 119.914 -0.160 0.000 2.343 395 V HA -0.228 3.891 4.120 -0.001 0.000 0.247 395 V C 2.517 178.479 176.094 -0.220 0.000 1.051 395 V CA 2.219 64.429 62.300 -0.150 0.000 1.036 395 V CB -1.430 30.384 31.823 -0.015 0.000 0.654 395 V HN 0.597 nan 8.190 nan 0.000 0.451 396 G N -0.478 108.261 108.800 -0.102 0.000 2.402 396 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.216 396 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.216 396 G C 1.235 176.045 174.900 -0.149 0.000 1.162 396 G CA 0.899 45.952 45.100 -0.079 0.000 0.777 396 G HN 0.496 nan 8.290 nan 0.000 0.539 397 D N -0.092 120.223 120.400 -0.142 0.000 2.097 397 D HA -0.095 4.545 4.640 -0.001 0.000 0.195 397 D C 2.084 178.050 176.300 -0.556 0.000 0.989 397 D CA 1.350 55.239 54.000 -0.185 0.000 0.827 397 D CB -0.492 40.343 40.800 0.057 0.000 0.966 397 D HN 0.423 nan 8.370 nan 0.000 0.456 398 H N 0.892 119.311 119.070 -1.086 0.000 2.353 398 H HA 0.019 4.574 4.556 -0.001 0.000 0.300 398 H C 1.539 176.474 175.328 -0.654 0.000 1.090 398 H CA 1.733 57.029 56.048 -1.255 0.000 1.327 398 H CB 0.048 28.892 29.762 -1.531 0.000 1.383 398 H HN -0.013 nan 8.280 nan 0.000 0.508 399 N N -0.730 117.469 118.700 -0.835 0.000 2.395 399 N HA -0.013 4.727 4.740 -0.001 0.000 0.175 399 N C 1.243 176.473 175.510 -0.467 0.000 1.029 399 N CA 1.114 53.626 53.050 -0.896 0.000 0.897 399 N CB 0.943 38.383 38.487 -1.744 0.000 0.991 399 N HN 0.280 nan 8.380 nan 0.000 0.441 400 V N 0.386 120.101 119.914 -0.331 0.000 3.278 400 V HA 0.157 4.276 4.120 -0.001 0.000 0.215 400 V C 2.071 178.140 176.094 -0.041 0.000 1.287 400 V CA -0.027 62.226 62.300 -0.079 0.000 1.302 400 V CB 0.112 31.950 31.823 0.025 0.000 1.228 400 V HN -0.058 nan 8.190 nan 0.000 0.523 401 I N 0.587 121.141 120.570 -0.028 0.000 2.113 401 I HA -0.282 3.887 4.170 -0.001 0.000 0.238 401 I C 2.573 178.702 176.117 0.020 0.000 1.070 401 I CA 1.949 63.266 61.300 0.027 0.000 1.332 401 I CB -0.492 37.559 38.000 0.085 0.000 1.044 401 I HN 0.375 nan 8.210 nan 0.000 0.402 402 c N 0.638 119.241 118.600 0.005 0.000 2.425 402 c HA -0.047 4.523 4.570 -0.001 0.000 0.277 402 c C 0.252 174.377 174.090 0.058 0.000 1.280 402 c CA 0.697 57.071 56.329 0.075 0.000 1.744 402 c CB -1.843 40.760 42.510 0.155 0.000 1.989 402 c HN 0.365 nan 8.230 nan 0.000 0.491 403 P HA -0.088 nan 4.420 nan 0.000 0.216 403 P C 1.770 179.101 177.300 0.051 0.000 1.153 403 P CA 1.051 64.131 63.100 -0.032 0.000 0.848 403 P CB -0.171 31.425 31.700 -0.175 0.000 0.787 404 L N -1.731 119.503 121.223 0.018 0.000 2.046 404 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 404 L C 2.105 179.026 176.870 0.086 0.000 1.077 404 L CA 1.722 56.589 54.840 0.045 0.000 0.747 404 L CB -0.575 41.484 42.059 0.001 0.000 0.896 404 L HN -0.108 nan 8.230 nan 0.000 0.432 405 M N -1.060 118.579 119.600 0.065 0.000 2.213 405 M HA -0.228 4.252 4.480 -0.001 0.000 0.263 405 M C 2.267 178.635 176.300 0.114 0.000 1.062 405 M CA 1.643 56.978 55.300 0.059 0.000 1.105 405 M CB -1.592 31.057 32.600 0.082 0.000 1.385 405 M HN 0.437 nan 8.290 nan 0.000 0.417 406 H N -0.202 118.910 119.070 0.070 0.000 2.357 406 H HA -0.161 4.394 4.556 -0.001 0.000 0.301 406 H C 1.825 177.203 175.328 0.083 0.000 1.082 406 H CA 1.901 57.997 56.048 0.079 0.000 1.342 406 H CB -0.334 29.473 29.762 0.074 0.000 1.389 406 H HN 0.242 nan 8.280 nan 0.000 0.511 407 F N 0.328 120.246 119.950 -0.052 0.000 2.134 407 F HA -0.172 4.355 4.527 -0.001 0.000 0.299 407 F C 2.162 177.880 175.800 -0.138 0.000 1.097 407 F CA 1.480 59.402 58.000 -0.130 0.000 1.264 407 F CB -0.717 38.212 39.000 -0.119 0.000 1.001 407 F HN 0.066 nan 8.300 nan 0.000 0.479 408 V N 1.150 120.960 119.914 -0.173 0.000 2.287 408 V HA -0.360 3.759 4.120 -0.001 0.000 0.248 408 V C 2.293 178.210 176.094 -0.294 0.000 1.053 408 V CA 2.324 64.407 62.300 -0.363 0.000 1.027 408 V CB -0.902 30.638 31.823 -0.472 0.000 0.646 408 V HN 0.420 nan 8.190 nan 0.000 0.447 409 N N -0.116 118.505 118.700 -0.131 0.000 2.188 409 N HA -0.117 4.622 4.740 -0.001 0.000 0.184 409 N C 1.865 177.349 175.510 -0.044 0.000 1.018 409 N CA 0.968 54.037 53.050 0.032 0.000 0.858 409 N CB -0.169 38.376 38.487 0.095 0.000 0.989 409 N HN 0.416 nan 8.380 nan 0.000 0.426 410 K N 0.595 120.886 120.400 -0.182 0.000 2.057 410 K HA -0.104 4.216 4.320 -0.001 0.000 0.206 410 K C 1.952 178.536 176.600 -0.027 0.000 1.050 410 K CA 0.654 56.872 56.287 -0.115 0.000 0.935 410 K CB -0.761 31.605 32.500 -0.223 0.000 0.715 410 K HN 0.280 nan 8.250 nan 0.000 0.439 411 Y N 2.350 122.396 120.300 -0.424 0.000 2.145 411 Y HA -0.221 4.328 4.550 -0.001 0.000 0.286 411 Y C 2.253 178.132 175.900 -0.035 0.000 1.145 411 Y CA 1.960 59.794 58.100 -0.443 0.000 1.148 411 Y CB -0.432 37.426 38.460 -1.003 0.000 0.981 411 Y HN 0.028 nan 8.280 nan 0.000 0.507 412 T N 0.643 115.224 114.554 0.044 0.000 2.822 412 T HA -0.213 4.136 4.350 -0.001 0.000 0.270 412 T C 1.725 176.434 174.700 0.015 0.000 1.064 412 T CA 1.741 63.901 62.100 0.100 0.000 1.131 412 T CB -0.212 68.807 68.868 0.251 0.000 0.858 412 T HN 0.340 nan 8.240 nan 0.000 0.483 413 K N -0.126 120.262 120.400 -0.020 0.000 2.147 413 K HA -0.036 4.284 4.320 -0.001 0.000 0.205 413 K C 1.333 177.694 176.600 -0.399 0.000 1.049 413 K CA 1.255 57.416 56.287 -0.210 0.000 0.936 413 K CB -0.118 32.212 32.500 -0.282 0.000 0.722 413 K HN 0.407 nan 8.250 nan 0.000 0.446 414 F N -0.374 119.513 119.950 -0.105 0.000 2.724 414 F HA 0.208 4.735 4.527 -0.001 0.000 0.306 414 F C 1.468 177.148 175.800 -0.200 0.000 1.100 414 F CA -0.551 57.348 58.000 -0.167 0.000 1.255 414 F CB 0.216 39.048 39.000 -0.279 0.000 1.072 414 F HN -0.099 nan 8.300 nan 0.000 0.589 415 G N -0.070 108.659 108.800 -0.120 0.000 2.653 415 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.265 415 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.265 415 G C 0.399 175.335 174.900 0.060 0.000 1.237 415 G CA -0.345 44.696 45.100 -0.099 0.000 0.946 415 G HN 0.283 nan 8.290 nan 0.000 0.522 416 N N -0.604 118.182 118.700 0.144 0.000 2.214 416 N HA 0.260 4.999 4.740 -0.001 0.000 0.214 416 N C 0.335 175.913 175.510 0.113 0.000 1.132 416 N CA 0.425 53.538 53.050 0.104 0.000 0.856 416 N CB 0.374 38.917 38.487 0.093 0.000 1.020 416 N HN 0.815 nan 8.380 nan 0.000 0.509 417 G N 0.307 109.191 108.800 0.141 0.000 2.158 417 G HA2 0.060 4.020 3.960 -0.001 0.000 0.238 417 G HA3 0.060 4.020 3.960 -0.001 0.000 0.238 417 G C -1.353 173.582 174.900 0.058 0.000 1.723 417 G CA -0.674 44.467 45.100 0.068 0.000 0.911 417 G HN -0.006 nan 8.290 nan 0.000 0.741 418 T N 1.622 116.084 114.554 -0.153 0.000 2.848 418 T HA 0.653 5.003 4.350 -0.001 0.000 0.285 418 T C -1.305 173.122 174.700 -0.454 0.000 0.995 418 T CA -0.343 61.668 62.100 -0.149 0.000 0.970 418 T CB 1.253 70.119 68.868 -0.003 0.000 0.976 418 T HN 0.414 nan 8.240 nan 0.000 0.441 419 Y N 2.192 122.410 120.300 -0.136 0.000 2.331 419 Y HA 0.673 5.223 4.550 -0.001 0.000 0.334 419 Y C -0.462 175.487 175.900 0.081 0.000 0.960 419 Y CA -1.164 56.788 58.100 -0.246 0.000 1.130 419 Y CB 1.541 39.398 38.460 -1.006 0.000 1.164 419 Y HN 0.448 nan 8.280 nan 0.000 0.458 420 L N 5.910 127.512 121.223 0.633 0.000 2.346 420 L HA 0.652 4.992 4.340 -0.001 0.000 0.276 420 L C -1.292 176.058 176.870 0.802 0.000 1.006 420 L CA -1.020 54.145 54.840 0.543 0.000 0.817 420 L CB 0.884 43.125 42.059 0.303 0.000 1.272 420 L HN 0.539 nan 8.230 nan 0.000 0.421 421 Y N 3.035 123.664 120.300 0.549 0.000 2.605 421 Y HA 0.758 5.308 4.550 -0.001 0.000 0.343 421 Y C -1.779 174.407 175.900 0.476 0.000 1.036 421 Y CA -2.011 56.340 58.100 0.418 0.000 1.065 421 Y CB 1.363 39.995 38.460 0.286 0.000 1.288 421 Y HN 0.534 nan 8.280 nan 0.000 0.481 422 F N 3.620 123.910 119.950 0.566 0.000 2.659 422 F HA 0.455 4.981 4.527 -0.001 0.000 0.342 422 F C -2.002 174.113 175.800 0.525 0.000 1.168 422 F CA -1.718 56.545 58.000 0.439 0.000 1.003 422 F CB 0.802 40.043 39.000 0.402 0.000 1.267 422 F HN 0.565 nan 8.300 nan 0.000 0.463 423 F N 8.067 128.118 119.950 0.168 0.000 2.413 423 F HA 0.307 4.833 4.527 -0.001 0.000 0.359 423 F C 0.245 175.925 175.800 -0.200 0.000 1.122 423 F CA -0.253 57.785 58.000 0.063 0.000 1.160 423 F CB 0.535 39.639 39.000 0.173 0.000 1.146 423 F HN 0.537 nan 8.300 nan 0.000 0.514 424 N N 3.404 121.755 118.700 -0.581 0.000 2.451 424 N HA 0.073 4.812 4.740 -0.001 0.000 0.271 424 N C -1.151 174.107 175.510 -0.420 0.000 1.410 424 N CA -0.478 52.319 53.050 -0.422 0.000 0.884 424 N CB -0.682 37.722 38.487 -0.137 0.000 1.332 424 N HN 0.625 nan 8.380 nan 0.000 0.498 425 H N 0.920 119.427 119.070 -0.939 0.000 2.488 425 H HA 0.502 5.058 4.556 -0.001 0.000 0.322 425 H C -0.194 174.955 175.328 -0.300 0.000 1.078 425 H CA -0.646 55.046 56.048 -0.593 0.000 1.260 425 H CB 0.972 30.304 29.762 -0.718 0.000 1.425 425 H HN 0.191 nan 8.280 nan 0.000 0.471 426 R N 4.369 124.469 120.500 -0.666 0.000 2.202 426 R HA 0.532 4.871 4.340 -0.001 0.000 0.334 426 R C -0.863 175.160 176.300 -0.462 0.000 1.036 426 R CA -0.335 55.549 56.100 -0.360 0.000 0.878 426 R CB 0.236 30.410 30.300 -0.211 0.000 1.067 426 R HN 0.668 nan 8.270 nan 0.000 0.457 427 A N 3.447 126.264 122.820 -0.005 0.000 2.540 427 A HA 0.118 4.438 4.320 -0.001 0.000 0.239 427 A C 1.217 178.853 177.584 0.087 0.000 1.061 427 A CA 0.358 52.558 52.037 0.272 0.000 0.758 427 A CB -0.003 19.300 19.000 0.504 0.000 0.991 427 A HN 1.084 nan 8.150 nan 0.000 0.502 428 S N 1.577 117.359 115.700 0.137 0.000 2.419 428 S HA -0.173 4.297 4.470 -0.001 0.000 0.233 428 S C 0.938 175.511 174.600 -0.046 0.000 1.016 428 S CA 1.213 59.436 58.200 0.040 0.000 0.974 428 S CB -0.418 62.831 63.200 0.082 0.000 0.786 428 S HN 0.936 nan 8.310 nan 0.000 0.492 429 N N 0.604 119.230 118.700 -0.123 0.000 2.238 429 N HA 0.244 4.984 4.740 -0.001 0.000 0.222 429 N C -0.285 175.121 175.510 -0.173 0.000 1.133 429 N CA -0.475 52.453 53.050 -0.203 0.000 0.854 429 N CB -0.586 37.667 38.487 -0.389 0.000 1.041 429 N HN 0.324 nan 8.380 nan 0.000 0.510 430 L N 1.536 122.701 121.223 -0.096 0.000 2.490 430 L HA -0.004 4.335 4.340 -0.001 0.000 0.274 430 L C 1.408 178.202 176.870 -0.127 0.000 1.201 430 L CA 0.095 54.885 54.840 -0.083 0.000 0.869 430 L CB 1.054 43.080 42.059 -0.055 0.000 1.123 430 L HN 0.196 nan 8.230 nan 0.000 0.484 431 V N 0.682 120.468 119.914 -0.213 0.000 3.506 431 V HA 0.116 4.236 4.120 -0.001 0.000 0.263 431 V C 0.618 176.641 176.094 -0.119 0.000 1.203 431 V CA -0.407 61.751 62.300 -0.237 0.000 1.133 431 V CB -1.171 30.361 31.823 -0.485 0.000 0.802 431 V HN 0.644 nan 8.190 nan 0.000 0.459 432 W N 2.084 123.330 121.300 -0.090 0.000 2.184 432 W HA 0.490 5.150 4.660 -0.001 0.000 0.338 432 W C -1.626 174.754 176.519 -0.232 0.000 1.257 432 W CA -2.023 55.227 57.345 -0.159 0.000 1.243 432 W CB -0.083 29.140 29.460 -0.394 0.000 1.122 432 W HN 0.016 nan 8.180 nan 0.000 0.585 433 P HA -0.066 nan 4.420 nan 0.000 0.271 433 P C 0.352 177.548 177.300 -0.173 0.000 1.233 433 P CA 0.314 63.362 63.100 -0.086 0.000 0.789 433 P CB 0.950 32.627 31.700 -0.038 0.000 0.951 434 E N 0.979 121.151 120.200 -0.048 0.000 2.110 434 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 434 E C 1.922 178.529 176.600 0.012 0.000 0.988 434 E CA 1.399 57.789 56.400 -0.017 0.000 0.804 434 E CB -0.669 29.059 29.700 0.047 0.000 0.745 434 E HN 0.719 nan 8.360 nan 0.000 0.458 435 W N 0.508 121.836 121.300 0.047 0.000 2.364 435 W HA -0.116 4.543 4.660 -0.001 0.000 0.281 435 W C 1.494 178.056 176.519 0.071 0.000 1.219 435 W CA 0.575 57.959 57.345 0.066 0.000 1.220 435 W CB -0.847 28.664 29.460 0.086 0.000 1.127 435 W HN -0.008 nan 8.180 nan 0.000 0.556 436 M N 1.306 120.523 119.600 -0.638 0.000 2.476 436 M HA 0.111 4.591 4.480 -0.001 0.000 0.262 436 M C 1.801 177.947 176.300 -0.258 0.000 1.079 436 M CA 1.603 56.495 55.300 -0.681 0.000 1.104 436 M CB -0.708 31.280 32.600 -1.020 0.000 1.409 436 M HN 0.192 nan 8.290 nan 0.000 0.467 437 G N 0.493 109.206 108.800 -0.146 0.000 2.583 437 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.292 437 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.292 437 G C -0.169 174.685 174.900 -0.077 0.000 1.203 437 G CA -0.194 44.870 45.100 -0.060 0.000 0.987 437 G HN 0.211 nan 8.290 nan 0.000 0.554 438 V N 2.008 121.917 119.914 -0.009 0.000 2.284 438 V HA 0.413 4.532 4.120 -0.001 0.000 0.260 438 V C 0.988 177.156 176.094 0.122 0.000 1.084 438 V CA -0.158 62.183 62.300 0.068 0.000 0.894 438 V CB 0.196 32.057 31.823 0.063 0.000 1.119 438 V HN 0.532 nan 8.190 nan 0.000 0.484 439 I N 2.934 123.541 120.570 0.062 0.000 2.696 439 I HA 0.127 4.296 4.170 -0.001 0.000 0.284 439 I C 0.908 177.251 176.117 0.378 0.000 1.129 439 I CA -0.443 60.898 61.300 0.068 0.000 1.410 439 I CB 0.196 37.969 38.000 -0.379 0.000 1.399 439 I HN 0.553 nan 8.210 nan 0.000 0.579 440 H N 4.405 123.635 119.070 0.267 0.000 3.157 440 H HA 0.151 4.707 4.556 -0.001 0.000 0.299 440 H C 0.996 176.516 175.328 0.320 0.000 0.961 440 H CA 1.073 57.309 56.048 0.313 0.000 1.428 440 H CB 0.158 30.143 29.762 0.372 0.000 1.459 440 H HN 0.764 nan 8.280 nan 0.000 0.566 441 G N 3.643 112.440 108.800 -0.004 0.000 2.195 441 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.246 441 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.246 441 G C 0.546 175.457 174.900 0.019 0.000 0.984 441 G CA 0.371 45.437 45.100 -0.057 0.000 0.633 441 G HN 0.631 nan 8.290 nan 0.000 0.525 442 Y N 1.434 121.888 120.300 0.258 0.000 2.470 442 Y HA 0.262 4.812 4.550 -0.001 0.000 0.284 442 Y C 2.238 178.259 175.900 0.202 0.000 1.188 442 Y CA 0.867 59.145 58.100 0.298 0.000 1.269 442 Y CB 0.446 39.091 38.460 0.309 0.000 1.094 442 Y HN 0.496 nan 8.280 nan 0.000 0.518 443 E N -0.110 120.053 120.200 -0.061 0.000 2.415 443 E HA -0.028 4.321 4.350 -0.001 0.000 0.197 443 E C 1.608 178.139 176.600 -0.114 0.000 1.007 443 E CA 0.523 56.561 56.400 -0.604 0.000 0.890 443 E CB -0.417 28.609 29.700 -1.123 0.000 0.891 443 E HN 0.511 nan 8.360 nan 0.000 0.496 444 I N 2.794 123.397 120.570 0.054 0.000 2.163 444 I HA -0.315 3.855 4.170 -0.001 0.000 0.243 444 I C 2.646 178.820 176.117 0.094 0.000 1.085 444 I CA 2.210 63.599 61.300 0.147 0.000 1.347 444 I CB -0.527 37.611 38.000 0.229 0.000 1.044 444 I HN 0.228 nan 8.210 nan 0.000 0.408 445 E N 0.892 121.098 120.200 0.009 0.000 2.267 445 E HA -0.235 4.115 4.350 -0.001 0.000 0.197 445 E C 1.983 178.416 176.600 -0.278 0.000 0.998 445 E CA 1.486 57.808 56.400 -0.129 0.000 0.830 445 E CB -0.479 29.141 29.700 -0.134 0.000 0.751 445 E HN 0.450 nan 8.360 nan 0.000 0.491 446 F N 0.949 120.811 119.950 -0.147 0.000 2.335 446 F HA -0.001 4.526 4.527 -0.001 0.000 0.296 446 F C 2.307 177.936 175.800 -0.286 0.000 1.091 446 F CA 0.471 58.344 58.000 -0.212 0.000 1.399 446 F CB 0.021 38.937 39.000 -0.139 0.000 1.067 446 F HN -0.131 nan 8.300 nan 0.000 0.520 447 V N -1.155 118.672 119.914 -0.145 0.000 2.548 447 V HA -0.244 3.876 4.120 -0.001 0.000 0.249 447 V C 1.561 177.469 176.094 -0.310 0.000 1.055 447 V CA 1.507 63.586 62.300 -0.368 0.000 1.065 447 V CB -0.613 31.031 31.823 -0.299 0.000 0.681 447 V HN 0.193 nan 8.190 nan 0.000 0.462 448 F N 0.504 120.321 119.950 -0.222 0.000 2.732 448 F HA 0.418 4.944 4.527 -0.001 0.000 0.303 448 F C 1.816 177.526 175.800 -0.151 0.000 1.110 448 F CA 0.579 58.476 58.000 -0.172 0.000 1.355 448 F CB -0.197 38.684 39.000 -0.198 0.000 1.081 448 F HN 0.255 nan 8.300 nan 0.000 0.565 449 G N 0.144 108.852 108.800 -0.153 0.000 2.153 449 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.252 449 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.252 449 G C 1.180 175.751 174.900 -0.548 0.000 0.994 449 G CA 0.383 45.314 45.100 -0.283 0.000 0.698 449 G HN 0.260 nan 8.290 nan 0.000 0.521 450 L N -0.044 120.846 121.223 -0.556 0.000 2.079 450 L HA -0.071 4.268 4.340 -0.001 0.000 0.210 450 L C 0.324 176.748 176.870 -0.742 0.000 1.081 450 L CA 2.663 57.121 54.840 -0.637 0.000 0.752 450 L CB -1.959 39.855 42.059 -0.409 0.000 0.896 450 L HN 0.214 nan 8.230 nan 0.000 0.433 451 P HA -0.113 nan 4.420 nan 0.000 0.228 451 P C 1.774 178.808 177.300 -0.444 0.000 1.151 451 P CA 0.872 63.355 63.100 -1.027 0.000 0.770 451 P CB 0.034 31.067 31.700 -1.112 0.000 0.786 452 L N -2.262 118.708 121.223 -0.421 0.000 2.554 452 L HA 0.049 4.389 4.340 -0.001 0.000 0.226 452 L C 0.420 177.155 176.870 -0.226 0.000 1.137 452 L CA 0.258 54.941 54.840 -0.262 0.000 0.863 452 L CB -0.368 41.561 42.059 -0.216 0.000 0.985 452 L HN -0.204 nan 8.230 nan 0.000 0.451 453 V N 1.210 120.951 119.914 -0.287 0.000 2.353 453 V HA 0.049 4.169 4.120 -0.001 0.000 0.264 453 V C 1.413 177.461 176.094 -0.076 0.000 1.049 453 V CA -0.250 61.937 62.300 -0.187 0.000 0.896 453 V CB 1.149 32.823 31.823 -0.248 0.000 1.025 453 V HN 0.267 nan 8.190 nan 0.000 0.475 454 K N 3.745 124.115 120.400 -0.050 0.000 2.059 454 K HA -0.254 4.066 4.320 -0.001 0.000 0.212 454 K C 1.594 178.183 176.600 -0.019 0.000 1.050 454 K CA 2.318 58.591 56.287 -0.023 0.000 0.927 454 K CB 0.181 32.667 32.500 -0.022 0.000 0.714 454 K HN 0.727 nan 8.250 nan 0.000 0.447 455 E N 0.713 120.897 120.200 -0.028 0.000 2.331 455 E HA -0.136 4.214 4.350 -0.001 0.000 0.199 455 E C 1.549 178.123 176.600 -0.043 0.000 1.008 455 E CA 0.770 57.149 56.400 -0.034 0.000 0.843 455 E CB -0.058 29.622 29.700 -0.034 0.000 0.761 455 E HN 0.393 nan 8.360 nan 0.000 0.507 456 L N 0.388 121.597 121.223 -0.022 0.000 2.599 456 L HA 0.057 4.397 4.340 -0.001 0.000 0.230 456 L C -0.065 176.735 176.870 -0.118 0.000 1.141 456 L CA -0.041 54.780 54.840 -0.032 0.000 0.877 456 L CB -0.356 41.760 42.059 0.096 0.000 1.009 456 L HN 0.152 nan 8.230 nan 0.000 0.447 457 N N -1.267 117.398 118.700 -0.059 0.000 2.747 457 N HA -0.226 4.513 4.740 -0.001 0.000 0.249 457 N C -0.449 174.993 175.510 -0.113 0.000 1.107 457 N CA 0.863 53.858 53.050 -0.092 0.000 0.707 457 N CB -1.751 36.652 38.487 -0.140 0.000 1.054 457 N HN 0.309 nan 8.380 nan 0.000 0.555 458 Y N 0.619 120.882 120.300 -0.062 0.000 2.334 458 Y HA 0.313 4.863 4.550 -0.001 0.000 0.325 458 Y C 1.916 177.813 175.900 -0.005 0.000 1.308 458 Y CA 0.044 58.127 58.100 -0.028 0.000 1.389 458 Y CB 0.465 38.880 38.460 -0.075 0.000 1.328 458 Y HN 0.080 nan 8.280 nan 0.000 0.532 459 T N -2.054 112.628 114.554 0.212 0.000 2.847 459 T HA 0.462 4.812 4.350 -0.001 0.000 0.279 459 T C 1.134 175.891 174.700 0.096 0.000 0.984 459 T CA -0.313 61.861 62.100 0.124 0.000 0.988 459 T CB 1.268 70.210 68.868 0.123 0.000 1.040 459 T HN 0.749 nan 8.240 nan 0.000 0.528 460 A N 1.071 123.923 122.820 0.054 0.000 1.933 460 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 460 A C 2.302 179.898 177.584 0.021 0.000 1.175 460 A CA 1.438 53.491 52.037 0.027 0.000 0.628 460 A CB -0.771 18.238 19.000 0.015 0.000 0.814 460 A HN 0.945 nan 8.150 nan 0.000 0.444 461 E N 0.499 120.717 120.200 0.030 0.000 2.150 461 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 461 E C 1.486 178.089 176.600 0.006 0.000 0.985 461 E CA 1.262 57.665 56.400 0.005 0.000 0.814 461 E CB -0.581 29.118 29.700 -0.001 0.000 0.752 461 E HN 0.791 nan 8.360 nan 0.000 0.466 462 E N 0.998 121.246 120.200 0.081 0.000 2.150 462 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 462 E C 2.072 178.735 176.600 0.105 0.000 0.985 462 E CA 0.811 57.333 56.400 0.203 0.000 0.814 462 E CB 0.022 29.965 29.700 0.406 0.000 0.752 462 E HN 0.389 nan 8.360 nan 0.000 0.466 463 E N 0.693 120.894 120.200 0.001 0.000 2.072 463 E HA -0.160 4.189 4.350 -0.001 0.000 0.190 463 E C 2.056 178.625 176.600 -0.052 0.000 0.982 463 E CA 0.843 57.196 56.400 -0.079 0.000 0.803 463 E CB -0.022 29.636 29.700 -0.070 0.000 0.755 463 E HN 0.196 nan 8.360 nan 0.000 0.453 464 A N 1.288 124.089 122.820 -0.030 0.000 1.908 464 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 464 A C 2.132 179.690 177.584 -0.043 0.000 1.181 464 A CA 1.337 53.349 52.037 -0.042 0.000 0.627 464 A CB -0.654 18.324 19.000 -0.037 0.000 0.818 464 A HN 0.390 nan 8.150 nan 0.000 0.445 465 L N -0.248 120.966 121.223 -0.014 0.000 2.017 465 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 465 L C 2.568 179.471 176.870 0.054 0.000 1.073 465 L CA 2.627 57.461 54.840 -0.010 0.000 0.745 465 L CB -1.048 40.970 42.059 -0.068 0.000 0.894 465 L HN 0.340 nan 8.230 nan 0.000 0.432 466 S N -0.643 115.144 115.700 0.144 0.000 2.353 466 S HA -0.240 4.230 4.470 -0.001 0.000 0.222 466 S C 2.185 176.741 174.600 -0.074 0.000 1.035 466 S CA 1.577 59.807 58.200 0.050 0.000 1.025 466 S CB -0.231 62.881 63.200 -0.148 0.000 0.902 466 S HN 0.530 nan 8.310 nan 0.000 0.440 467 R N 0.298 120.746 120.500 -0.087 0.000 2.083 467 R HA -0.041 4.299 4.340 -0.001 0.000 0.237 467 R C 2.761 178.996 176.300 -0.108 0.000 1.137 467 R CA 1.670 57.712 56.100 -0.097 0.000 0.951 467 R CB -0.328 29.913 30.300 -0.098 0.000 0.851 467 R HN 0.396 nan 8.270 nan 0.000 0.434 468 R N 0.376 120.788 120.500 -0.147 0.000 2.083 468 R HA -0.108 4.231 4.340 -0.001 0.000 0.237 468 R C 2.355 178.444 176.300 -0.352 0.000 1.137 468 R CA 1.542 57.465 56.100 -0.294 0.000 0.951 468 R CB -0.372 29.750 30.300 -0.296 0.000 0.851 468 R HN 0.232 nan 8.270 nan 0.000 0.434 469 I N 0.453 120.923 120.570 -0.166 0.000 2.179 469 I HA -0.313 3.857 4.170 -0.001 0.000 0.242 469 I C 2.478 178.507 176.117 -0.145 0.000 1.088 469 I CA 1.381 62.607 61.300 -0.123 0.000 1.357 469 I CB -0.191 37.619 38.000 -0.316 0.000 1.051 469 I HN 0.229 nan 8.210 nan 0.000 0.409 470 M N -0.584 118.916 119.600 -0.165 0.000 2.149 470 M HA -0.263 4.217 4.480 -0.001 0.000 0.261 470 M C 2.412 178.760 176.300 0.079 0.000 1.064 470 M CA 1.767 57.005 55.300 -0.102 0.000 1.102 470 M CB -0.716 31.825 32.600 -0.099 0.000 1.369 470 M HN 0.281 nan 8.290 nan 0.000 0.408 471 H N -0.487 118.564 119.070 -0.032 0.000 2.428 471 H HA -0.115 4.440 4.556 -0.001 0.000 0.296 471 H C 1.521 176.954 175.328 0.175 0.000 1.062 471 H CA 1.688 57.744 56.048 0.013 0.000 1.350 471 H CB 0.039 29.756 29.762 -0.074 0.000 1.403 471 H HN 0.262 nan 8.280 nan 0.000 0.533 472 Y N -0.854 119.576 120.300 0.217 0.000 2.145 472 Y HA -0.234 4.316 4.550 -0.001 0.000 0.286 472 Y C 2.509 178.606 175.900 0.329 0.000 1.145 472 Y CA 1.022 59.301 58.100 0.298 0.000 1.148 472 Y CB -1.042 37.797 38.460 0.632 0.000 0.981 472 Y HN 0.351 nan 8.280 nan 0.000 0.507 473 W N -0.528 120.872 121.300 0.167 0.000 2.355 473 W HA -0.224 4.436 4.660 -0.000 0.000 0.309 473 W C 2.567 179.084 176.519 -0.002 0.000 1.206 473 W CA 1.118 58.490 57.345 0.045 0.000 1.284 473 W CB -0.462 28.969 29.460 -0.049 0.000 1.145 473 W HN 0.045 nan 8.180 nan 0.000 0.502 474 A N -0.216 122.718 122.820 0.190 0.000 1.969 474 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 474 A C 1.794 179.368 177.584 -0.018 0.000 1.169 474 A CA 2.053 54.118 52.037 0.045 0.000 0.635 474 A CB -1.064 17.955 19.000 0.032 0.000 0.810 474 A HN 0.197 nan 8.150 nan 0.000 0.445 475 T N -0.908 113.597 114.554 -0.081 0.000 2.857 475 T HA -0.063 4.286 4.350 -0.001 0.000 0.266 475 T C 1.572 176.227 174.700 -0.074 0.000 1.048 475 T CA 1.354 63.369 62.100 -0.141 0.000 1.139 475 T CB -0.343 68.372 68.868 -0.254 0.000 0.874 475 T HN 0.515 nan 8.240 nan 0.000 0.455 476 F N 2.414 122.266 119.950 -0.165 0.000 2.146 476 F HA 0.062 4.589 4.527 -0.001 0.000 0.298 476 F C 2.420 178.137 175.800 -0.138 0.000 1.096 476 F CA 0.944 58.816 58.000 -0.213 0.000 1.275 476 F CB -0.621 38.197 39.000 -0.304 0.000 1.008 476 F HN 0.131 nan 8.300 nan 0.000 0.480 477 A N 0.457 123.235 122.820 -0.070 0.000 1.908 477 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 477 A C 2.350 179.817 177.584 -0.194 0.000 1.181 477 A CA 2.044 53.995 52.037 -0.143 0.000 0.627 477 A CB -0.892 18.082 19.000 -0.042 0.000 0.818 477 A HN 0.513 nan 8.150 nan 0.000 0.445 478 K N -0.983 119.331 120.400 -0.144 0.000 2.062 478 K HA -0.109 4.210 4.320 -0.001 0.000 0.205 478 K C 1.823 178.334 176.600 -0.149 0.000 1.051 478 K CA 1.867 58.085 56.287 -0.116 0.000 0.941 478 K CB -0.097 32.359 32.500 -0.073 0.000 0.719 478 K HN 0.622 nan 8.250 nan 0.000 0.440 479 T N -4.899 109.538 114.554 -0.196 0.000 2.959 479 T HA 0.256 4.606 4.350 -0.001 0.000 0.254 479 T C 1.115 175.670 174.700 -0.241 0.000 1.003 479 T CA 0.490 62.483 62.100 -0.178 0.000 0.950 479 T CB 0.910 69.703 68.868 -0.125 0.000 1.090 479 T HN 0.324 nan 8.240 nan 0.000 0.503 480 G N 1.491 110.013 108.800 -0.464 0.000 2.141 480 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.231 480 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.231 480 G C -0.198 174.586 174.900 -0.193 0.000 0.984 480 G CA 0.009 44.777 45.100 -0.552 0.000 0.660 480 G HN 0.850 nan 8.290 nan 0.000 0.525 481 N N -0.284 118.307 118.700 -0.181 0.000 2.478 481 N HA 0.416 5.156 4.740 -0.001 0.000 0.291 481 N C -1.635 173.709 175.510 -0.277 0.000 1.090 481 N CA -1.402 51.516 53.050 -0.221 0.000 0.911 481 N CB 2.429 40.869 38.487 -0.079 0.000 1.546 481 N HN -0.064 nan 8.380 nan 0.000 0.500 482 P HA -0.055 nan 4.420 nan 0.000 0.226 482 P C -0.454 176.843 177.300 -0.004 0.000 1.153 482 P CA 0.647 63.600 63.100 -0.245 0.000 0.777 482 P CB 0.318 31.663 31.700 -0.591 0.000 0.794 483 N N 1.563 120.220 118.700 -0.070 0.000 2.514 483 N HA 0.087 4.827 4.740 -0.001 0.000 0.277 483 N C 0.134 175.671 175.510 0.045 0.000 1.126 483 N CA -0.062 53.037 53.050 0.082 0.000 0.978 483 N CB 0.747 39.285 38.487 0.084 0.000 1.106 483 N HN 0.004 nan 8.380 nan 0.000 0.461 484 E N 2.967 123.228 120.200 0.102 0.000 2.324 484 E HA 0.135 4.485 4.350 -0.001 0.000 0.271 484 E C -2.188 174.431 176.600 0.032 0.000 1.028 484 E CA -1.576 54.874 56.400 0.085 0.000 0.890 484 E CB 0.424 30.226 29.700 0.169 0.000 1.004 484 E HN 0.312 nan 8.360 nan 0.000 0.431 485 P HA -0.001 nan 4.420 nan 0.000 0.268 485 P C -0.659 176.538 177.300 -0.171 0.000 1.204 485 P CA 0.292 63.260 63.100 -0.221 0.000 0.768 485 P CB 0.529 32.027 31.700 -0.336 0.000 0.842 486 H N -2.089 117.016 119.070 0.058 0.000 3.641 486 H HA -0.154 4.401 4.556 -0.001 0.000 0.193 486 H C 0.835 176.199 175.328 0.058 0.000 1.013 486 H CA 1.067 57.147 56.048 0.053 0.000 1.212 486 H CB -2.146 27.642 29.762 0.043 0.000 1.089 486 H HN 0.567 nan 8.280 nan 0.000 0.339 487 S N 0.287 116.079 115.700 0.154 0.000 2.580 487 S HA 0.088 4.558 4.470 -0.001 0.000 0.261 487 S C 1.466 176.135 174.600 0.114 0.000 1.366 487 S CA 0.390 58.667 58.200 0.129 0.000 0.996 487 S CB 0.948 64.226 63.200 0.130 0.000 0.902 487 S HN 0.339 nan 8.310 nan 0.000 0.566 488 Q N 0.098 119.955 119.800 0.094 0.000 2.317 488 Q HA 0.275 4.614 4.340 -0.001 0.000 0.220 488 Q C -0.080 175.969 176.000 0.082 0.000 0.873 488 Q CA 0.101 55.951 55.803 0.079 0.000 0.936 488 Q CB 0.027 28.801 28.738 0.060 0.000 1.105 488 Q HN 0.615 nan 8.270 nan 0.000 0.520 489 E N 1.500 121.758 120.200 0.096 0.000 2.409 489 E HA 0.134 4.484 4.350 -0.001 0.000 0.257 489 E C -0.091 176.585 176.600 0.126 0.000 1.150 489 E CA -0.031 56.433 56.400 0.106 0.000 0.942 489 E CB 0.506 30.279 29.700 0.122 0.000 0.979 489 E HN -0.085 nan 8.360 nan 0.000 0.447 490 S N 1.588 117.365 115.700 0.129 0.000 2.549 490 S HA 0.048 4.518 4.470 -0.001 0.000 0.286 490 S C 0.248 174.961 174.600 0.190 0.000 1.314 490 S CA -0.187 58.093 58.200 0.132 0.000 1.062 490 S CB 0.362 63.628 63.200 0.110 0.000 0.865 490 S HN 0.141 nan 8.310 nan 0.000 0.498 491 K N 2.179 122.684 120.400 0.175 0.000 2.201 491 K HA 0.146 4.465 4.320 -0.001 0.000 0.278 491 K C -0.432 176.340 176.600 0.286 0.000 1.027 491 K CA -0.461 55.959 56.287 0.223 0.000 0.909 491 K CB 0.641 33.248 32.500 0.178 0.000 1.062 491 K HN 0.681 nan 8.250 nan 0.000 0.465 492 W N 6.473 127.828 121.300 0.092 0.000 2.485 492 W HA 0.203 4.863 4.660 -0.001 0.000 0.315 492 W C -2.340 174.299 176.519 0.201 0.000 1.304 492 W CA -2.639 54.756 57.345 0.083 0.000 1.345 492 W CB -0.170 29.243 29.460 -0.079 0.000 1.368 492 W HN 0.354 nan 8.180 nan 0.000 0.497 493 P HA -0.003 nan 4.420 nan 0.000 0.271 493 P C -0.408 177.099 177.300 0.345 0.000 1.218 493 P CA -0.406 62.915 63.100 0.368 0.000 0.780 493 P CB 0.713 32.556 31.700 0.238 0.000 0.901 494 L N 3.937 125.231 121.223 0.119 0.000 2.416 494 L HA 0.270 4.609 4.340 -0.001 0.000 0.272 494 L C -0.400 176.460 176.870 -0.015 0.000 1.161 494 L CA -0.236 54.481 54.840 -0.206 0.000 0.845 494 L CB -0.558 41.386 42.059 -0.192 0.000 1.119 494 L HN 0.201 nan 8.230 nan 0.000 0.464 495 F N 4.584 124.440 119.950 -0.157 0.000 2.445 495 F HA 0.459 4.986 4.527 -0.001 0.000 0.359 495 F C 0.312 176.088 175.800 -0.041 0.000 1.101 495 F CA -0.187 57.809 58.000 -0.008 0.000 1.177 495 F CB 0.432 39.453 39.000 0.036 0.000 1.110 495 F HN 0.663 nan 8.300 nan 0.000 0.522 496 T N 1.322 115.646 114.554 -0.383 0.000 2.932 496 T HA 0.264 4.614 4.350 -0.001 0.000 0.289 496 T C 0.958 175.432 174.700 -0.377 0.000 1.039 496 T CA -0.448 61.515 62.100 -0.229 0.000 1.024 496 T CB 1.508 70.287 68.868 -0.148 0.000 1.090 496 T HN 0.537 nan 8.240 nan 0.000 0.496 497 T N 0.634 115.111 114.554 -0.129 0.000 2.737 497 T HA -0.115 4.234 4.350 -0.001 0.000 0.269 497 T C 1.739 176.360 174.700 -0.132 0.000 1.040 497 T CA 1.705 63.756 62.100 -0.081 0.000 1.142 497 T CB -0.258 68.589 68.868 -0.035 0.000 0.861 497 T HN 0.728 nan 8.240 nan 0.000 0.456 498 K N 0.530 120.849 120.400 -0.134 0.000 2.005 498 K HA -0.046 4.273 4.320 -0.001 0.000 0.206 498 K C 2.184 178.707 176.600 -0.128 0.000 1.044 498 K CA 1.025 57.249 56.287 -0.105 0.000 0.942 498 K CB 0.126 32.580 32.500 -0.076 0.000 0.727 498 K HN 0.218 nan 8.250 nan 0.000 0.439 499 E N 0.614 120.713 120.200 -0.168 0.000 2.230 499 E HA -0.095 4.255 4.350 -0.001 0.000 0.192 499 E C -0.028 176.441 176.600 -0.219 0.000 0.987 499 E CA 0.273 56.584 56.400 -0.149 0.000 0.841 499 E CB 0.146 29.779 29.700 -0.112 0.000 0.783 499 E HN 0.343 nan 8.360 nan 0.000 0.481 500 Q N 1.087 120.578 119.800 -0.515 0.000 2.434 500 Q HA -0.203 4.137 4.340 -0.001 0.000 0.299 500 Q C -0.615 175.279 176.000 -0.176 0.000 1.286 500 Q CA 0.701 56.005 55.803 -0.833 0.000 0.872 500 Q CB -1.535 27.003 28.738 -0.333 0.000 1.193 500 Q HN 0.224 nan 8.270 nan 0.000 0.466 501 K N 0.589 120.938 120.400 -0.085 0.000 2.258 501 K HA 0.516 4.836 4.320 -0.001 0.000 0.264 501 K C 0.031 176.935 176.600 0.506 0.000 1.007 501 K CA 0.163 56.555 56.287 0.175 0.000 0.941 501 K CB 0.434 32.985 32.500 0.086 0.000 0.966 501 K HN 0.214 nan 8.250 nan 0.000 0.480 502 F N -0.296 119.820 119.950 0.276 0.000 2.711 502 F HA 0.603 5.129 4.527 -0.001 0.000 0.313 502 F C -1.071 174.847 175.800 0.196 0.000 1.141 502 F CA -1.560 56.644 58.000 0.340 0.000 0.941 502 F CB 0.708 39.919 39.000 0.352 0.000 1.349 502 F HN 0.414 nan 8.300 nan 0.000 0.464 503 I N -0.729 119.971 120.570 0.216 0.000 2.846 503 I HA 0.648 4.818 4.170 -0.001 0.000 0.307 503 I C -1.127 175.122 176.117 0.219 0.000 1.053 503 I CA -0.850 60.406 61.300 -0.073 0.000 1.050 503 I CB 1.984 39.729 38.000 -0.425 0.000 1.239 503 I HN 0.437 nan 8.210 nan 0.000 0.439 504 D N 3.408 123.924 120.400 0.194 0.000 2.283 504 D HA 0.463 5.102 4.640 -0.001 0.000 0.248 504 D C -0.908 175.489 176.300 0.161 0.000 1.072 504 D CA 0.044 54.258 54.000 0.358 0.000 0.929 504 D CB 2.154 43.162 40.800 0.347 0.000 1.182 504 D HN 0.260 nan 8.370 nan 0.000 0.433 505 L N 2.992 124.316 121.223 0.167 0.000 2.353 505 L HA 0.299 4.639 4.340 -0.001 0.000 0.270 505 L C -0.622 176.176 176.870 -0.120 0.000 1.003 505 L CA -0.370 54.510 54.840 0.067 0.000 0.862 505 L CB 0.100 42.280 42.059 0.202 0.000 1.221 505 L HN 0.503 nan 8.230 nan 0.000 0.430 506 N N -0.321 118.308 118.700 -0.117 0.000 3.378 506 N HA 0.271 5.010 4.740 -0.001 0.000 0.294 506 N C 0.308 175.710 175.510 -0.181 0.000 1.544 506 N CA -0.063 52.859 53.050 -0.213 0.000 0.872 506 N CB 0.347 38.769 38.487 -0.109 0.000 1.670 506 N HN 0.073 nan 8.380 nan 0.000 0.551 507 T N -3.775 110.653 114.554 -0.210 0.000 3.148 507 T HA 0.222 4.572 4.350 -0.001 0.000 0.253 507 T C 0.066 174.734 174.700 -0.054 0.000 1.134 507 T CA 0.477 62.482 62.100 -0.158 0.000 1.051 507 T CB -0.345 68.404 68.868 -0.198 0.000 0.959 507 T HN 0.480 nan 8.240 nan 0.000 0.525 508 E N 2.580 122.767 120.200 -0.023 0.000 2.314 508 E HA 0.382 4.731 4.350 -0.001 0.000 0.262 508 E C -2.309 174.294 176.600 0.005 0.000 1.093 508 E CA -2.211 54.191 56.400 0.004 0.000 0.908 508 E CB 0.417 30.132 29.700 0.025 0.000 1.091 508 E HN 0.223 nan 8.360 nan 0.000 0.425 509 P HA -0.079 nan 4.420 nan 0.000 0.268 509 P C -0.369 176.936 177.300 0.009 0.000 1.205 509 P CA 0.089 63.196 63.100 0.013 0.000 0.771 509 P CB 0.504 32.211 31.700 0.013 0.000 0.858 510 M N 2.476 122.086 119.600 0.016 0.000 2.216 510 M HA -0.070 4.409 4.480 -0.001 0.000 0.328 510 M C 0.061 176.332 176.300 -0.048 0.000 1.062 510 M CA 1.257 56.554 55.300 -0.003 0.000 1.012 510 M CB -0.002 32.612 32.600 0.023 0.000 1.622 510 M HN 0.313 nan 8.290 nan 0.000 0.448 511 K N 3.312 123.645 120.400 -0.112 0.000 2.535 511 K HA 0.501 4.820 4.320 -0.001 0.000 0.250 511 K C -1.838 174.476 176.600 -0.477 0.000 0.948 511 K CA -0.740 55.402 56.287 -0.242 0.000 0.796 511 K CB 2.109 34.498 32.500 -0.185 0.000 1.216 511 K HN 0.539 nan 8.250 nan 0.000 0.432 512 V N 4.752 124.368 119.914 -0.497 0.000 2.481 512 V HA 0.418 4.537 4.120 -0.001 0.000 0.286 512 V C -0.079 175.536 176.094 -0.798 0.000 1.042 512 V CA -0.445 61.544 62.300 -0.518 0.000 0.928 512 V CB 1.254 32.942 31.823 -0.224 0.000 0.986 512 V HN 0.753 nan 8.190 nan 0.000 0.462 513 H N 2.960 121.675 119.070 -0.591 0.000 2.949 513 H HA 0.653 5.208 4.556 -0.001 0.000 0.310 513 H C -1.088 173.958 175.328 -0.470 0.000 1.405 513 H CA -0.853 54.815 56.048 -0.634 0.000 1.253 513 H CB 2.118 31.279 29.762 -1.001 0.000 1.932 513 H HN 0.550 nan 8.280 nan 0.000 0.602 514 Q N 0.214 120.040 119.800 0.043 0.000 2.389 514 Q HA 0.364 4.704 4.340 -0.001 0.000 0.277 514 Q C -0.706 175.536 176.000 0.403 0.000 1.082 514 Q CA -0.887 55.057 55.803 0.236 0.000 0.810 514 Q CB 2.936 31.731 28.738 0.096 0.000 1.374 514 Q HN 0.468 nan 8.270 nan 0.000 0.422 515 R N 0.975 121.699 120.500 0.374 0.000 3.146 515 R HA -0.202 4.138 4.340 -0.001 0.000 0.250 515 R C -0.517 175.919 176.300 0.226 0.000 0.912 515 R CA -0.149 56.108 56.100 0.262 0.000 0.633 515 R CB -1.444 28.953 30.300 0.162 0.000 1.180 515 R HN 0.454 nan 8.270 nan 0.000 0.464 516 L N 2.352 123.631 121.223 0.094 0.000 2.737 516 L HA -0.064 4.276 4.340 -0.001 0.000 0.275 516 L C 0.867 177.684 176.870 -0.088 0.000 1.179 516 L CA 0.868 55.521 54.840 -0.311 0.000 0.970 516 L CB -0.380 41.151 42.059 -0.880 0.000 1.268 516 L HN 0.477 nan 8.230 nan 0.000 0.485 517 R N 2.145 122.617 120.500 -0.047 0.000 3.387 517 R HA -0.200 4.139 4.340 -0.001 0.000 0.254 517 R C 1.290 177.648 176.300 0.096 0.000 1.006 517 R CA 0.611 56.733 56.100 0.036 0.000 0.677 517 R CB -1.990 28.348 30.300 0.063 0.000 1.063 517 R HN 0.767 nan 8.270 nan 0.000 0.453 518 V N -2.980 116.991 119.914 0.095 0.000 2.324 518 V HA -0.350 3.770 4.120 -0.001 0.000 0.250 518 V C 2.288 178.454 176.094 0.121 0.000 1.060 518 V CA 2.170 64.539 62.300 0.116 0.000 1.042 518 V CB -0.470 31.415 31.823 0.103 0.000 0.650 518 V HN 0.316 nan 8.190 nan 0.000 0.450 519 Q N -0.137 119.717 119.800 0.090 0.000 2.002 519 Q HA -0.176 4.164 4.340 -0.001 0.000 0.204 519 Q C 2.197 178.263 176.000 0.111 0.000 0.988 519 Q CA 2.314 58.157 55.803 0.067 0.000 0.843 519 Q CB -0.446 28.300 28.738 0.015 0.000 0.908 519 Q HN 0.540 nan 8.270 nan 0.000 0.420 520 M N -0.986 118.701 119.600 0.144 0.000 2.159 520 M HA -0.148 4.331 4.480 -0.001 0.000 0.263 520 M C 2.396 178.982 176.300 0.477 0.000 1.063 520 M CA 1.013 56.481 55.300 0.279 0.000 1.110 520 M CB -1.301 31.521 32.600 0.371 0.000 1.374 520 M HN 0.338 nan 8.290 nan 0.000 0.411 521 c N -0.540 118.283 118.600 0.371 0.000 2.446 521 c HA -0.028 4.542 4.570 -0.001 0.000 0.279 521 c C 2.933 177.206 174.090 0.305 0.000 1.366 521 c CA 0.223 56.778 56.329 0.377 0.000 1.763 521 c CB -0.860 41.806 42.510 0.261 0.000 1.929 521 c HN 0.325 nan 8.230 nan 0.000 0.509 522 V N 0.601 120.657 119.914 0.238 0.000 2.407 522 V HA -0.222 3.897 4.120 -0.001 0.000 0.248 522 V C 2.032 178.252 176.094 0.210 0.000 1.055 522 V CA 2.173 64.587 62.300 0.190 0.000 1.049 522 V CB -0.770 31.138 31.823 0.142 0.000 0.662 522 V HN 0.585 nan 8.190 nan 0.000 0.455 523 F N -0.140 119.856 119.950 0.077 0.000 2.084 523 F HA -0.168 4.359 4.527 -0.001 0.000 0.296 523 F C 1.984 177.767 175.800 -0.028 0.000 1.111 523 F CA 1.652 59.651 58.000 -0.001 0.000 1.224 523 F CB -0.391 38.500 39.000 -0.180 0.000 0.991 523 F HN 0.159 nan 8.300 nan 0.000 0.471 524 W N 0.671 122.082 121.300 0.185 0.000 2.436 524 W HA -0.102 4.558 4.660 -0.001 0.000 0.284 524 W C 2.027 178.530 176.519 -0.027 0.000 1.225 524 W CA 0.875 58.252 57.345 0.053 0.000 1.271 524 W CB -0.435 29.166 29.460 0.235 0.000 1.114 524 W HN -0.016 nan 8.180 nan 0.000 0.559 525 N N -0.870 117.954 118.700 0.207 0.000 2.405 525 N HA -0.006 4.734 4.740 -0.001 0.000 0.175 525 N C 1.369 176.884 175.510 0.008 0.000 1.051 525 N CA 0.843 53.933 53.050 0.066 0.000 0.899 525 N CB 0.015 38.556 38.487 0.089 0.000 1.000 525 N HN 0.374 nan 8.380 nan 0.000 0.451 526 Q N -1.066 118.755 119.800 0.035 0.000 2.652 526 Q HA 0.194 4.534 4.340 -0.001 0.000 0.211 526 Q C 1.234 177.234 176.000 -0.000 0.000 0.858 526 Q CA -0.190 55.634 55.803 0.034 0.000 0.895 526 Q CB 0.052 28.846 28.738 0.094 0.000 1.194 526 Q HN 0.092 nan 8.270 nan 0.000 0.645 527 F N 2.053 121.915 119.950 -0.146 0.000 2.051 527 F HA -0.212 4.314 4.527 -0.001 0.000 0.296 527 F C 2.040 177.649 175.800 -0.318 0.000 1.122 527 F CA 1.191 59.072 58.000 -0.199 0.000 1.201 527 F CB -0.412 38.492 39.000 -0.160 0.000 0.978 527 F HN 0.061 nan 8.300 nan 0.000 0.472 528 L N 1.747 122.515 121.223 -0.757 0.000 2.012 528 L HA -0.120 4.220 4.340 -0.001 0.000 0.210 528 L C -0.771 175.810 176.870 -0.483 0.000 1.073 528 L CA 2.230 56.579 54.840 -0.818 0.000 0.748 528 L CB -2.013 39.473 42.059 -0.955 0.000 0.891 528 L HN 0.053 nan 8.230 nan 0.000 0.431 529 P HA -0.210 nan 4.420 nan 0.000 0.218 529 P C 1.413 178.592 177.300 -0.201 0.000 1.149 529 P CA 1.553 64.548 63.100 -0.175 0.000 0.817 529 P CB -0.071 31.568 31.700 -0.102 0.000 0.785 530 K N -0.008 120.237 120.400 -0.257 0.000 2.057 530 K HA -0.087 4.232 4.320 -0.001 0.000 0.206 530 K C 2.240 178.669 176.600 -0.284 0.000 1.050 530 K CA 0.648 56.803 56.287 -0.220 0.000 0.935 530 K CB -0.624 31.767 32.500 -0.182 0.000 0.715 530 K HN 0.025 nan 8.250 nan 0.000 0.439 531 L N 1.095 122.026 121.223 -0.485 0.000 1.994 531 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 531 L C 2.067 178.782 176.870 -0.258 0.000 1.071 531 L CA 1.323 55.895 54.840 -0.447 0.000 0.745 531 L CB -0.187 41.461 42.059 -0.684 0.000 0.892 531 L HN 0.227 nan 8.230 nan 0.000 0.431 532 L N -0.013 121.066 121.223 -0.239 0.000 2.131 532 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 532 L C 2.253 179.062 176.870 -0.102 0.000 1.092 532 L CA 1.457 56.207 54.840 -0.149 0.000 0.759 532 L CB -0.709 41.279 42.059 -0.119 0.000 0.903 532 L HN 0.430 nan 8.230 nan 0.000 0.435 533 N N 0.147 118.785 118.700 -0.104 0.000 2.354 533 N HA -0.089 4.651 4.740 -0.001 0.000 0.179 533 N C 1.643 177.114 175.510 -0.065 0.000 1.021 533 N CA 1.180 54.187 53.050 -0.071 0.000 0.887 533 N CB 0.157 38.604 38.487 -0.067 0.000 0.974 533 N HN 0.256 nan 8.380 nan 0.000 0.437 534 A N -0.710 122.060 122.820 -0.083 0.000 1.943 534 A HA 0.109 4.429 4.320 -0.001 0.000 0.213 534 A C 1.371 178.922 177.584 -0.055 0.000 1.181 534 A CA 1.216 53.214 52.037 -0.064 0.000 0.653 534 A CB -0.845 18.113 19.000 -0.071 0.000 0.833 534 A HN 0.483 nan 8.150 nan 0.000 0.451 535 T N 0.000 114.513 114.554 -0.069 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.067 62.100 -0.055 0.000 1.349 535 T CB 0.000 68.830 68.868 -0.064 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658