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 1ew8_1_A DATA FIRST_RESID 1 DATA SEQUENCE TPEMPVLENR AAQGDITAPG GARRLTGDQT AALRDSLSDK PAKNIILLIG DATA SEQUENCE DGMGDSEITA ARNYAEGAGG FFKGIDALPL TGQYTHYALN KKTGKPDYVT DATA SEQUENCE DSAASATAWS TGVKTYNGAL GVDIHEKDHP TILEMAKAAG LATGNVSTAE DATA SEQUENCE LQDATPAALV AHVTSRKcYG PSATSEKcPG NALEKGGKGS ITEQLLNARA DATA SEQUENCE DVTLGGGAKT FAETATAGEW QGKTLREQAQ ARGYQLVSDA ASLNSVTEAN DATA SEQUENCE QQKPLLGLFA DGNMPVRWLG PKATYHGNID KPAVTcTPNP QRNDSVPTLA DATA SEQUENCE QMTDKAIELL SKNEKGFFLQ VEGASIDKQD HAANPcGQIG ETVDLDEAVQ DATA SEQUENCE RALEFAKKEG NTLVIVTADH AHASQIVAPD TKAPGLTQAL NTKDGAVMVM DATA SEQUENCE SYGNSEEDSQ EHTGSQLRIA AYGPHAANVV GLTDQTDLFY TMKAALGLK 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.703 174.700 0.005 0.000 1.109 1 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 1 T CB 0.000 68.865 68.868 -0.006 0.000 0.612 2 P HA 0.296 nan 4.420 nan 0.000 0.271 2 P C 0.845 178.175 177.300 0.049 0.000 1.380 2 P CA -0.068 63.061 63.100 0.048 0.000 0.992 2 P CB 0.915 32.647 31.700 0.053 0.000 1.230 3 E N 2.008 122.228 120.200 0.034 0.000 2.049 3 E HA -0.136 4.214 4.350 -0.000 0.000 0.198 3 E C 0.495 177.114 176.600 0.031 0.000 1.007 3 E CA 1.099 57.509 56.400 0.016 0.000 0.809 3 E CB -0.116 29.580 29.700 -0.007 0.000 0.749 3 E HN 0.498 nan 8.360 nan 0.000 0.450 4 M N 2.368 121.999 119.600 0.051 0.000 2.144 4 M HA 0.207 4.687 4.480 -0.000 0.000 0.356 4 M C -2.329 174.114 176.300 0.238 0.000 1.217 4 M CA -2.095 53.253 55.300 0.080 0.000 1.087 4 M CB 1.338 33.894 32.600 -0.073 0.000 1.609 4 M HN -0.149 nan 8.290 nan 0.000 0.467 5 P HA 0.213 nan 4.420 nan 0.000 0.279 5 P C -0.862 176.555 177.300 0.195 0.000 1.239 5 P CA -0.421 62.769 63.100 0.149 0.000 0.789 5 P CB 0.846 32.595 31.700 0.081 0.000 0.933 6 V N 1.562 121.502 119.914 0.043 0.000 3.096 6 V HA 0.450 4.570 4.120 -0.000 0.000 0.319 6 V C 0.136 176.242 176.094 0.019 0.000 1.082 6 V CA -1.177 61.088 62.300 -0.059 0.000 1.022 6 V CB 0.890 32.536 31.823 -0.296 0.000 1.103 6 V HN 0.267 nan 8.190 nan 0.000 0.455 7 L N 2.206 123.467 121.223 0.062 0.000 2.407 7 L HA 0.322 4.662 4.340 -0.000 0.000 0.282 7 L C 1.188 178.138 176.870 0.132 0.000 1.110 7 L CA -0.051 54.844 54.840 0.092 0.000 0.863 7 L CB 0.134 42.278 42.059 0.142 0.000 1.207 7 L HN 0.843 nan 8.230 nan 0.000 0.454 8 E N 1.513 121.732 120.200 0.032 0.000 2.152 8 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 8 E C 0.537 177.116 176.600 -0.035 0.000 0.983 8 E CA 0.621 57.048 56.400 0.045 0.000 0.818 8 E CB 0.118 29.826 29.700 0.013 0.000 0.758 8 E HN 0.518 nan 8.360 nan 0.000 0.467 9 N N -0.179 118.326 118.700 -0.326 0.000 2.616 9 N HA 0.102 4.842 4.740 -0.000 0.000 0.281 9 N C -1.152 173.859 175.510 -0.832 0.000 1.145 9 N CA -0.237 52.396 53.050 -0.695 0.000 0.919 9 N CB 0.942 39.242 38.487 -0.311 0.000 1.509 9 N HN -0.076 nan 8.380 nan 0.000 0.537 10 R N 1.337 120.913 120.500 -1.540 0.000 2.700 10 R HA 0.331 4.671 4.340 -0.000 0.000 0.399 10 R C 0.027 176.075 176.300 -0.420 0.000 1.115 10 R CA -0.326 55.340 56.100 -0.725 0.000 1.058 10 R CB 0.842 30.900 30.300 -0.402 0.000 1.389 10 R HN 0.480 nan 8.270 nan 0.000 0.582 11 A N 0.814 123.411 122.820 -0.372 0.000 2.287 11 A HA 0.651 4.970 4.320 -0.000 0.000 0.273 11 A C 0.312 177.844 177.584 -0.087 0.000 1.091 11 A CA -0.344 51.639 52.037 -0.089 0.000 0.817 11 A CB 0.436 19.411 19.000 -0.040 0.000 1.069 11 A HN 0.368 nan 8.150 nan 0.000 0.492 12 A N 0.247 123.041 122.820 -0.044 0.000 2.567 12 A HA 0.252 4.571 4.320 -0.000 0.000 0.240 12 A C 0.932 178.486 177.584 -0.049 0.000 1.053 12 A CA -0.048 51.963 52.037 -0.042 0.000 0.755 12 A CB 0.066 19.049 19.000 -0.028 0.000 0.978 12 A HN 0.771 nan 8.150 nan 0.000 0.507 13 Q N 1.264 121.033 119.800 -0.050 0.000 2.369 13 Q HA 0.073 4.412 4.340 -0.000 0.000 0.206 13 Q C 1.113 177.090 176.000 -0.037 0.000 0.963 13 Q CA 1.380 57.153 55.803 -0.050 0.000 0.894 13 Q CB 0.083 28.791 28.738 -0.051 0.000 0.965 13 Q HN 0.994 nan 8.270 nan 0.000 0.475 14 G N -0.565 108.217 108.800 -0.030 0.000 3.046 14 G HA2 0.013 3.973 3.960 -0.000 0.000 0.137 14 G HA3 0.013 3.973 3.960 -0.000 0.000 0.137 14 G C -1.485 173.403 174.900 -0.021 0.000 1.207 14 G CA -0.442 44.643 45.100 -0.025 0.000 1.218 14 G HN 0.049 nan 8.290 nan 0.000 0.625 15 D N 1.801 122.190 120.400 -0.019 0.000 2.352 15 D HA 0.178 4.818 4.640 -0.000 0.000 0.245 15 D C 2.112 178.403 176.300 -0.016 0.000 1.224 15 D CA -0.479 53.511 54.000 -0.017 0.000 0.879 15 D CB 0.707 41.498 40.800 -0.015 0.000 1.057 15 D HN 0.445 nan 8.370 nan 0.000 0.491 16 I N 1.535 122.095 120.570 -0.016 0.000 2.502 16 I HA -0.227 3.943 4.170 -0.000 0.000 0.258 16 I C 1.392 177.502 176.117 -0.013 0.000 1.172 16 I CA 1.470 62.761 61.300 -0.015 0.000 1.430 16 I CB -0.608 37.383 38.000 -0.015 0.000 1.086 16 I HN 0.295 nan 8.210 nan 0.000 0.440 17 T N -1.469 113.078 114.554 -0.012 0.000 3.081 17 T HA 0.542 4.892 4.350 -0.000 0.000 0.250 17 T C 0.771 175.465 174.700 -0.010 0.000 1.100 17 T CA 0.138 62.231 62.100 -0.010 0.000 1.038 17 T CB -0.120 68.742 68.868 -0.010 0.000 0.962 17 T HN 0.452 nan 8.240 nan 0.000 0.516 18 A N 1.992 124.805 122.820 -0.011 0.000 2.294 18 A HA 0.732 5.052 4.320 -0.000 0.000 0.330 18 A C -2.720 174.858 177.584 -0.011 0.000 1.133 18 A CA -2.260 49.771 52.037 -0.010 0.000 0.836 18 A CB 0.320 19.313 19.000 -0.011 0.000 1.190 18 A HN 0.160 nan 8.150 nan 0.000 0.492 19 P HA 0.219 nan 4.420 nan 0.000 0.258 19 P C 0.941 178.234 177.300 -0.011 0.000 1.187 19 P CA 2.115 65.210 63.100 -0.010 0.000 0.767 19 P CB 0.268 31.963 31.700 -0.009 0.000 0.770 20 G N 3.309 112.102 108.800 -0.012 0.000 2.184 20 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.264 20 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.264 20 G C 1.228 176.118 174.900 -0.017 0.000 0.975 20 G CA 0.242 45.334 45.100 -0.014 0.000 0.642 20 G HN 0.707 nan 8.290 nan 0.000 0.536 21 G N 0.133 108.923 108.800 -0.016 0.000 2.534 21 G HA2 0.336 4.296 3.960 -0.000 0.000 0.217 21 G HA3 0.336 4.296 3.960 -0.000 0.000 0.217 21 G C 1.549 176.436 174.900 -0.021 0.000 1.128 21 G CA 1.768 46.856 45.100 -0.019 0.000 0.784 21 G HN 1.564 nan 8.290 nan 0.000 0.542 22 A N -0.067 122.742 122.820 -0.018 0.000 2.275 22 A HA 0.402 4.722 4.320 -0.000 0.000 0.212 22 A C 1.300 178.872 177.584 -0.020 0.000 1.201 22 A CA -0.438 51.588 52.037 -0.018 0.000 0.843 22 A CB -0.002 18.990 19.000 -0.013 0.000 0.873 22 A HN 0.286 nan 8.150 nan 0.000 0.492 23 R N -0.243 120.243 120.500 -0.023 0.000 2.643 23 R HA 0.264 4.604 4.340 -0.000 0.000 0.270 23 R C 0.621 176.897 176.300 -0.040 0.000 1.061 23 R CA 0.075 56.158 56.100 -0.027 0.000 1.107 23 R CB 0.405 30.689 30.300 -0.027 0.000 0.999 23 R HN 0.342 nan 8.270 nan 0.000 0.460 24 R N 1.464 121.938 120.500 -0.043 0.000 2.335 24 R HA 0.237 4.577 4.340 -0.000 0.000 0.210 24 R C 0.042 176.292 176.300 -0.084 0.000 0.892 24 R CA 0.098 56.156 56.100 -0.070 0.000 1.048 24 R CB 0.481 30.749 30.300 -0.053 0.000 1.067 24 R HN 0.359 nan 8.270 nan 0.000 0.524 25 L N 0.342 121.531 121.223 -0.056 0.000 2.344 25 L HA 0.318 4.658 4.340 -0.000 0.000 0.272 25 L C 1.107 177.949 176.870 -0.047 0.000 1.035 25 L CA -0.316 54.493 54.840 -0.051 0.000 0.807 25 L CB 1.940 43.980 42.059 -0.032 0.000 1.237 25 L HN 0.063 nan 8.230 nan 0.000 0.442 26 T N -2.778 111.749 114.554 -0.046 0.000 3.044 26 T HA 0.482 4.832 4.350 -0.000 0.000 0.260 26 T C 0.422 175.105 174.700 -0.028 0.000 1.019 26 T CA 0.149 62.226 62.100 -0.038 0.000 0.921 26 T CB 0.645 69.487 68.868 -0.043 0.000 1.053 26 T HN 0.822 nan 8.240 nan 0.000 0.533 27 G N 0.137 108.922 108.800 -0.025 0.000 2.320 27 G HA2 0.318 4.278 3.960 -0.000 0.000 0.296 27 G HA3 0.318 4.278 3.960 -0.000 0.000 0.296 27 G C -2.180 172.711 174.900 -0.015 0.000 1.306 27 G CA -0.779 44.310 45.100 -0.018 0.000 0.836 27 G HN 0.121 nan 8.290 nan 0.000 0.517 28 D N -0.013 120.381 120.400 -0.011 0.000 2.455 28 D HA 0.101 4.741 4.640 -0.000 0.000 0.241 28 D C 0.535 176.831 176.300 -0.006 0.000 1.138 28 D CA 0.060 54.056 54.000 -0.008 0.000 0.877 28 D CB 1.059 41.856 40.800 -0.006 0.000 1.187 28 D HN 0.259 nan 8.370 nan 0.000 0.451 29 Q N 2.112 121.910 119.800 -0.004 0.000 2.360 29 Q HA -0.004 4.336 4.340 -0.000 0.000 0.202 29 Q C 1.720 177.721 176.000 0.002 0.000 0.915 29 Q CA 0.209 56.011 55.803 -0.001 0.000 0.943 29 Q CB 0.288 29.027 28.738 0.002 0.000 1.064 29 Q HN 0.568 nan 8.270 nan 0.000 0.511 30 T N 1.442 115.996 114.554 0.001 0.000 2.624 30 T HA -0.239 4.110 4.350 -0.000 0.000 0.268 30 T C 1.860 176.560 174.700 0.001 0.000 1.041 30 T CA 1.982 64.082 62.100 0.001 0.000 1.159 30 T CB -0.185 68.682 68.868 -0.001 0.000 0.863 30 T HN 0.435 nan 8.240 nan 0.000 0.434 31 A N 1.293 124.113 122.820 -0.000 0.000 1.898 31 A HA 0.227 4.547 4.320 -0.000 0.000 0.216 31 A C 2.666 180.252 177.584 0.003 0.000 1.181 31 A CA 1.808 53.845 52.037 -0.000 0.000 0.620 31 A CB -1.098 17.901 19.000 -0.001 0.000 0.819 31 A HN 0.535 nan 8.150 nan 0.000 0.442 32 A N -0.722 122.102 122.820 0.006 0.000 1.902 32 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 32 A C 2.092 179.686 177.584 0.018 0.000 1.181 32 A CA 1.642 53.687 52.037 0.014 0.000 0.623 32 A CB -0.548 18.461 19.000 0.015 0.000 0.818 32 A HN 0.426 nan 8.150 nan 0.000 0.443 33 L N -0.479 120.752 121.223 0.014 0.000 2.017 33 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 33 L C 2.589 179.461 176.870 0.003 0.000 1.073 33 L CA 1.763 56.611 54.840 0.013 0.000 0.745 33 L CB -0.502 41.563 42.059 0.010 0.000 0.894 33 L HN 0.329 nan 8.230 nan 0.000 0.432 34 R N -0.499 120.000 120.500 -0.001 0.000 2.117 34 R HA -0.193 4.147 4.340 -0.000 0.000 0.243 34 R C 1.532 177.825 176.300 -0.012 0.000 1.143 34 R CA 1.616 57.711 56.100 -0.008 0.000 0.968 34 R CB -0.370 29.926 30.300 -0.007 0.000 0.863 34 R HN 0.435 nan 8.270 nan 0.000 0.444 35 D N -0.742 119.656 120.400 -0.004 0.000 2.363 35 D HA -0.018 4.621 4.640 -0.000 0.000 0.220 35 D C 1.005 177.300 176.300 -0.008 0.000 0.994 35 D CA 0.820 54.818 54.000 -0.003 0.000 0.890 35 D CB 0.277 41.081 40.800 0.008 0.000 0.906 35 D HN 0.094 nan 8.370 nan 0.000 0.530 36 S N -0.213 115.483 115.700 -0.007 0.000 2.556 36 S HA 0.158 4.628 4.470 -0.000 0.000 0.216 36 S C 0.931 175.495 174.600 -0.060 0.000 0.970 36 S CA -0.192 57.996 58.200 -0.020 0.000 0.912 36 S CB 0.699 63.910 63.200 0.020 0.000 0.790 36 S HN 0.176 nan 8.310 nan 0.000 0.504 37 L N 2.419 123.610 121.223 -0.053 0.000 2.257 37 L HA 0.557 4.897 4.340 -0.000 0.000 0.290 37 L C 0.064 176.883 176.870 -0.084 0.000 1.044 37 L CA -0.304 54.495 54.840 -0.069 0.000 0.810 37 L CB 1.161 43.189 42.059 -0.052 0.000 1.193 37 L HN 0.061 nan 8.230 nan 0.000 0.425 38 S N 1.322 116.954 115.700 -0.114 0.000 2.543 38 S HA 0.361 4.830 4.470 -0.000 0.000 0.271 38 S C -0.498 173.983 174.600 -0.197 0.000 1.148 38 S CA -0.779 57.346 58.200 -0.124 0.000 0.914 38 S CB 1.649 64.786 63.200 -0.105 0.000 1.096 38 S HN 0.696 nan 8.310 nan 0.000 0.471 39 D N 1.929 122.204 120.400 -0.209 0.000 2.440 39 D HA 0.276 4.915 4.640 -0.000 0.000 0.216 39 D C 0.196 176.408 176.300 -0.146 0.000 1.150 39 D CA -0.361 53.427 54.000 -0.353 0.000 0.832 39 D CB 0.060 40.688 40.800 -0.286 0.000 0.992 39 D HN 0.185 nan 8.370 nan 0.000 0.502 40 K N 1.622 121.989 120.400 -0.054 0.000 2.286 40 K HA 0.315 4.635 4.320 -0.000 0.000 0.256 40 K C -2.291 174.385 176.600 0.126 0.000 0.999 40 K CA -1.586 54.714 56.287 0.022 0.000 0.908 40 K CB -0.119 32.378 32.500 -0.004 0.000 0.981 40 K HN 0.046 nan 8.250 nan 0.000 0.500 41 P HA 0.187 nan 4.420 nan 0.000 0.274 41 P C -1.446 175.870 177.300 0.026 0.000 1.246 41 P CA -0.443 62.700 63.100 0.073 0.000 0.795 41 P CB 0.856 32.567 31.700 0.019 0.000 1.006 42 A N 1.496 124.297 122.820 -0.033 0.000 2.260 42 A HA 0.263 4.583 4.320 -0.000 0.000 0.314 42 A C 1.198 178.740 177.584 -0.070 0.000 1.257 42 A CA -0.381 51.622 52.037 -0.056 0.000 0.871 42 A CB 0.099 19.045 19.000 -0.090 0.000 1.166 42 A HN 0.545 nan 8.150 nan 0.000 0.522 43 K N 1.927 122.289 120.400 -0.063 0.000 2.062 43 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 43 K C 0.093 176.611 176.600 -0.138 0.000 1.051 43 K CA 1.111 57.359 56.287 -0.065 0.000 0.941 43 K CB 0.008 32.489 32.500 -0.033 0.000 0.719 43 K HN 0.830 nan 8.250 nan 0.000 0.440 44 N N -0.065 118.505 118.700 -0.216 0.000 2.312 44 N HA 0.329 5.069 4.740 -0.000 0.000 0.296 44 N C -1.083 174.257 175.510 -0.284 0.000 1.193 44 N CA -0.524 52.254 53.050 -0.453 0.000 0.773 44 N CB 2.061 39.994 38.487 -0.924 0.000 1.435 44 N HN -0.047 nan 8.380 nan 0.000 0.484 45 I N 1.535 121.940 120.570 -0.274 0.000 2.447 45 I HA 0.439 4.609 4.170 -0.000 0.000 0.287 45 I C -0.608 175.428 176.117 -0.134 0.000 1.023 45 I CA -0.553 60.695 61.300 -0.087 0.000 1.083 45 I CB 1.692 39.758 38.000 0.110 0.000 1.245 45 I HN 0.274 nan 8.210 nan 0.000 0.434 46 I N 7.085 127.608 120.570 -0.079 0.000 2.382 46 I HA 0.302 4.471 4.170 -0.000 0.000 0.285 46 I C -0.872 175.182 176.117 -0.104 0.000 1.007 46 I CA -0.613 60.636 61.300 -0.085 0.000 1.142 46 I CB 1.819 39.826 38.000 0.011 0.000 1.289 46 I HN 0.344 nan 8.210 nan 0.000 0.453 47 L N 8.466 129.578 121.223 -0.184 0.000 2.287 47 L HA 0.587 4.926 4.340 -0.000 0.000 0.287 47 L C -1.289 175.475 176.870 -0.177 0.000 1.022 47 L CA -0.215 54.531 54.840 -0.156 0.000 0.814 47 L CB 1.124 43.114 42.059 -0.115 0.000 1.217 47 L HN 0.405 nan 8.230 nan 0.000 0.420 48 L N 6.786 127.906 121.223 -0.173 0.000 2.280 48 L HA 0.513 4.852 4.340 -0.000 0.000 0.287 48 L C -0.605 176.140 176.870 -0.209 0.000 1.023 48 L CA -0.137 54.603 54.840 -0.168 0.000 0.819 48 L CB 1.355 43.330 42.059 -0.141 0.000 1.212 48 L HN 0.430 nan 8.230 nan 0.000 0.420 49 I N 2.739 123.193 120.570 -0.194 0.000 2.362 49 I HA 0.410 4.580 4.170 -0.000 0.000 0.289 49 I C 0.734 176.766 176.117 -0.141 0.000 0.994 49 I CA -0.504 60.672 61.300 -0.206 0.000 1.158 49 I CB 1.483 39.370 38.000 -0.189 0.000 1.315 49 I HN 0.621 nan 8.210 nan 0.000 0.451 50 G N 5.185 113.893 108.800 -0.154 0.000 2.504 50 G HA2 0.133 4.092 3.960 -0.000 0.000 0.326 50 G HA3 0.133 4.092 3.960 -0.000 0.000 0.326 50 G C -0.139 174.688 174.900 -0.122 0.000 1.073 50 G CA -0.359 44.662 45.100 -0.132 0.000 1.030 50 G HN 0.598 nan 8.290 nan 0.000 0.448 51 D N 2.245 122.595 120.400 -0.083 0.000 2.434 51 D HA 0.242 4.882 4.640 -0.000 0.000 0.252 51 D C 1.503 177.731 176.300 -0.120 0.000 1.185 51 D CA 1.504 55.446 54.000 -0.097 0.000 0.886 51 D CB 0.800 41.608 40.800 0.014 0.000 1.148 51 D HN 0.774 nan 8.370 nan 0.000 0.483 52 G N 4.170 112.782 108.800 -0.314 0.000 2.168 52 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 52 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 52 G C 0.695 175.578 174.900 -0.028 0.000 0.997 52 G CA 0.526 45.550 45.100 -0.126 0.000 0.708 52 G HN 0.598 nan 8.290 nan 0.000 0.520 53 M N 1.983 121.526 119.600 -0.095 0.000 3.213 53 M HA 0.477 4.957 4.480 -0.000 0.000 0.275 53 M C 1.094 177.374 176.300 -0.033 0.000 1.424 53 M CA 0.400 55.663 55.300 -0.063 0.000 1.561 53 M CB -0.629 31.912 32.600 -0.098 0.000 1.109 53 M HN 0.251 nan 8.290 nan 0.000 0.552 54 G N 1.546 110.355 108.800 0.016 0.000 2.588 54 G HA2 0.070 4.030 3.960 -0.000 0.000 0.278 54 G HA3 0.070 4.030 3.960 -0.000 0.000 0.278 54 G C 0.287 175.213 174.900 0.044 0.000 1.307 54 G CA -0.418 44.711 45.100 0.048 0.000 1.016 54 G HN 0.680 nan 8.290 nan 0.000 0.503 55 D N -0.772 119.664 120.400 0.060 0.000 2.178 55 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 55 D C 2.460 178.792 176.300 0.052 0.000 0.980 55 D CA 1.506 55.539 54.000 0.054 0.000 0.842 55 D CB 0.128 40.963 40.800 0.059 0.000 0.948 55 D HN 0.281 nan 8.370 nan 0.000 0.472 56 S N 0.556 116.286 115.700 0.049 0.000 2.356 56 S HA -0.172 4.298 4.470 -0.000 0.000 0.223 56 S C 1.768 176.388 174.600 0.034 0.000 1.032 56 S CA 1.173 59.394 58.200 0.036 0.000 1.005 56 S CB 0.070 63.285 63.200 0.024 0.000 0.867 56 S HN 0.045 nan 8.310 nan 0.000 0.449 57 E N 1.178 121.397 120.200 0.032 0.000 2.118 57 E HA -0.051 4.299 4.350 -0.000 0.000 0.195 57 E C 1.860 178.492 176.600 0.053 0.000 0.992 57 E CA 1.149 57.564 56.400 0.024 0.000 0.804 57 E CB -0.333 29.368 29.700 0.002 0.000 0.741 57 E HN 0.593 nan 8.360 nan 0.000 0.458 58 I N 0.381 120.989 120.570 0.063 0.000 2.163 58 I HA -0.277 3.892 4.170 -0.000 0.000 0.240 58 I C 2.060 178.285 176.117 0.180 0.000 1.081 58 I CA 1.429 62.804 61.300 0.127 0.000 1.353 58 I CB -0.522 37.537 38.000 0.099 0.000 1.054 58 I HN 0.124 nan 8.210 nan 0.000 0.407 59 T N 1.024 115.644 114.554 0.109 0.000 2.622 59 T HA -0.245 4.104 4.350 -0.000 0.000 0.266 59 T C 2.110 176.863 174.700 0.090 0.000 1.047 59 T CA 1.611 63.761 62.100 0.083 0.000 1.159 59 T CB -0.606 68.295 68.868 0.055 0.000 0.863 59 T HN 0.478 nan 8.240 nan 0.000 0.422 60 A N 1.792 124.664 122.820 0.087 0.000 1.884 60 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 60 A C 2.681 180.361 177.584 0.161 0.000 1.197 60 A CA 2.475 54.572 52.037 0.099 0.000 0.637 60 A CB -1.338 17.700 19.000 0.063 0.000 0.827 60 A HN 0.581 nan 8.150 nan 0.000 0.450 61 A N -1.031 121.908 122.820 0.198 0.000 1.930 61 A HA -0.129 4.190 4.320 -0.000 0.000 0.217 61 A C 2.265 180.033 177.584 0.305 0.000 1.175 61 A CA 1.680 53.900 52.037 0.305 0.000 0.627 61 A CB -0.469 18.728 19.000 0.328 0.000 0.815 61 A HN 0.577 nan 8.150 nan 0.000 0.443 62 R N -0.252 120.318 120.500 0.116 0.000 2.062 62 R HA -0.152 4.188 4.340 -0.000 0.000 0.231 62 R C 1.857 178.079 176.300 -0.130 0.000 1.136 62 R CA 1.674 57.568 56.100 -0.343 0.000 0.948 62 R CB -0.350 29.744 30.300 -0.344 0.000 0.845 62 R HN 0.511 nan 8.270 nan 0.000 0.430 63 N N 0.211 118.908 118.700 -0.005 0.000 2.036 63 N HA -0.247 4.493 4.740 -0.000 0.000 0.195 63 N C 1.521 177.066 175.510 0.059 0.000 1.037 63 N CA 1.637 54.700 53.050 0.022 0.000 0.855 63 N CB -0.832 37.690 38.487 0.058 0.000 1.033 63 N HN 0.314 nan 8.380 nan 0.000 0.423 64 Y N 1.023 121.351 120.300 0.047 0.000 2.049 64 Y HA -0.186 4.364 4.550 -0.000 0.000 0.277 64 Y C 2.334 178.287 175.900 0.088 0.000 1.143 64 Y CA 2.396 60.548 58.100 0.086 0.000 1.115 64 Y CB -0.468 38.090 38.460 0.162 0.000 0.975 64 Y HN 0.100 nan 8.280 nan 0.000 0.487 65 A N -0.573 122.395 122.820 0.245 0.000 1.930 65 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 65 A C 1.847 179.435 177.584 0.007 0.000 1.176 65 A CA 1.693 53.846 52.037 0.195 0.000 0.632 65 A CB -0.249 19.009 19.000 0.431 0.000 0.819 65 A HN 0.540 nan 8.150 nan 0.000 0.445 66 E N -1.358 118.780 120.200 -0.102 0.000 2.511 66 E HA 0.332 4.682 4.350 -0.000 0.000 0.209 66 E C 0.719 177.255 176.600 -0.107 0.000 0.986 66 E CA 0.653 56.972 56.400 -0.135 0.000 0.974 66 E CB 0.568 30.088 29.700 -0.299 0.000 1.030 66 E HN 0.708 nan 8.360 nan 0.000 0.490 67 G N 1.046 109.786 108.800 -0.100 0.000 2.690 67 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.686 67 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.686 67 G C 0.805 175.666 174.900 -0.065 0.000 1.277 67 G CA -0.150 44.906 45.100 -0.074 0.000 0.799 67 G HN 0.191 nan 8.290 nan 0.000 0.613 68 A N 0.162 122.958 122.820 -0.040 0.000 1.917 68 A HA 0.204 4.524 4.320 -0.000 0.000 0.219 68 A C 2.682 180.250 177.584 -0.026 0.000 1.182 68 A CA 2.768 54.789 52.037 -0.027 0.000 0.633 68 A CB -0.653 18.339 19.000 -0.014 0.000 0.819 68 A HN 2.420 nan 8.150 nan 0.000 0.448 69 G N -0.968 107.816 108.800 -0.026 0.000 2.985 69 G HA2 0.403 4.363 3.960 -0.000 0.000 0.209 69 G HA3 0.403 4.363 3.960 -0.000 0.000 0.209 69 G C 0.750 175.643 174.900 -0.011 0.000 1.165 69 G CA 0.583 45.673 45.100 -0.017 0.000 0.776 69 G HN 0.754 nan 8.290 nan 0.000 0.541 70 G N -0.441 108.340 108.800 -0.031 0.000 2.653 70 G HA2 0.437 4.396 3.960 -0.000 0.000 0.265 70 G HA3 0.437 4.396 3.960 -0.000 0.000 0.265 70 G C -1.079 173.846 174.900 0.041 0.000 1.237 70 G CA -0.605 44.478 45.100 -0.030 0.000 0.946 70 G HN 0.326 nan 8.290 nan 0.000 0.522 71 F N -0.964 118.882 119.950 -0.174 0.000 2.605 71 F HA 0.506 5.033 4.527 -0.000 0.000 0.320 71 F C -1.535 174.204 175.800 -0.102 0.000 1.159 71 F CA -1.307 56.621 58.000 -0.120 0.000 0.999 71 F CB 1.388 40.360 39.000 -0.047 0.000 1.258 71 F HN 0.293 nan 8.300 nan 0.000 0.464 72 F N 6.377 126.019 119.950 -0.512 0.000 2.466 72 F HA 0.317 4.844 4.527 -0.000 0.000 0.363 72 F C 1.322 176.581 175.800 -0.902 0.000 1.109 72 F CA -0.346 57.355 58.000 -0.498 0.000 1.161 72 F CB 1.207 40.018 39.000 -0.314 0.000 1.117 72 F HN 0.541 nan 8.300 nan 0.000 0.539 73 K N 2.002 122.173 120.400 -0.383 0.000 2.360 73 K HA -0.094 4.226 4.320 -0.000 0.000 0.201 73 K C 1.884 178.331 176.600 -0.255 0.000 1.046 73 K CA 1.050 57.119 56.287 -0.363 0.000 0.945 73 K CB 0.025 32.500 32.500 -0.043 0.000 0.750 73 K HN 0.841 nan 8.250 nan 0.000 0.464 74 G N 1.213 109.889 108.800 -0.206 0.000 2.724 74 G HA2 -0.049 3.910 3.960 -0.000 0.000 0.217 74 G HA3 -0.049 3.910 3.960 -0.000 0.000 0.217 74 G C 1.422 176.212 174.900 -0.182 0.000 1.251 74 G CA -0.196 44.801 45.100 -0.172 0.000 0.867 74 G HN 0.021 nan 8.290 nan 0.000 0.590 75 I N 1.551 121.997 120.570 -0.207 0.000 2.194 75 I HA -0.166 4.003 4.170 -0.000 0.000 0.246 75 I C 1.622 177.689 176.117 -0.084 0.000 1.093 75 I CA 1.395 62.594 61.300 -0.168 0.000 1.355 75 I CB -0.060 37.780 38.000 -0.266 0.000 1.046 75 I HN 0.095 nan 8.210 nan 0.000 0.413 76 D N 0.547 120.883 120.400 -0.107 0.000 2.340 76 D HA 0.101 4.741 4.640 -0.000 0.000 0.220 76 D C 1.813 178.159 176.300 0.076 0.000 1.039 76 D CA 0.605 54.589 54.000 -0.027 0.000 0.866 76 D CB 0.331 41.106 40.800 -0.041 0.000 0.913 76 D HN 0.317 nan 8.370 nan 0.000 0.523 77 A N 0.163 122.964 122.820 -0.031 0.000 2.251 77 A HA 0.122 4.442 4.320 -0.000 0.000 0.209 77 A C 0.827 178.459 177.584 0.080 0.000 1.187 77 A CA -0.069 52.045 52.037 0.130 0.000 0.823 77 A CB -0.115 18.923 19.000 0.063 0.000 0.846 77 A HN 0.076 nan 8.150 nan 0.000 0.486 78 L N 0.979 122.231 121.223 0.048 0.000 2.313 78 L HA 0.253 4.593 4.340 -0.000 0.000 0.282 78 L C -1.143 175.782 176.870 0.093 0.000 1.092 78 L CA -1.190 53.690 54.840 0.066 0.000 0.831 78 L CB 0.897 42.983 42.059 0.045 0.000 1.159 78 L HN 0.091 nan 8.230 nan 0.000 0.442 79 P HA -0.033 nan 4.420 nan 0.000 0.227 79 P C 0.004 177.348 177.300 0.073 0.000 1.161 79 P CA 0.800 63.960 63.100 0.101 0.000 0.788 79 P CB 0.431 32.204 31.700 0.121 0.000 0.822 80 L N 0.634 121.897 121.223 0.068 0.000 2.298 80 L HA 0.402 4.741 4.340 -0.000 0.000 0.284 80 L C 0.431 177.316 176.870 0.024 0.000 1.013 80 L CA -0.297 54.567 54.840 0.039 0.000 0.824 80 L CB 1.684 43.760 42.059 0.028 0.000 1.221 80 L HN -0.110 nan 8.230 nan 0.000 0.418 81 T N -0.405 114.161 114.554 0.020 0.000 2.907 81 T HA 0.975 5.325 4.350 -0.000 0.000 0.290 81 T C -0.106 174.599 174.700 0.009 0.000 1.066 81 T CA -0.681 61.423 62.100 0.007 0.000 1.012 81 T CB 2.478 71.357 68.868 0.019 0.000 1.184 81 T HN 0.710 nan 8.240 nan 0.000 0.522 82 G N -0.229 108.572 108.800 0.001 0.000 2.489 82 G HA2 0.559 4.519 3.960 -0.000 0.000 0.305 82 G HA3 0.559 4.519 3.960 -0.000 0.000 0.305 82 G C -2.314 172.601 174.900 0.024 0.000 1.311 82 G CA -0.914 44.197 45.100 0.019 0.000 0.813 82 G HN 0.732 nan 8.290 nan 0.000 0.480 83 Q N -0.666 119.174 119.800 0.066 0.000 2.365 83 Q HA 0.666 5.006 4.340 -0.000 0.000 0.269 83 Q C -1.255 174.875 176.000 0.217 0.000 1.061 83 Q CA -0.812 55.060 55.803 0.115 0.000 0.816 83 Q CB 2.561 31.364 28.738 0.108 0.000 1.325 83 Q HN 0.754 nan 8.270 nan 0.000 0.446 84 Y N -1.571 118.780 120.300 0.084 0.000 2.536 84 Y HA 0.842 5.392 4.550 -0.000 0.000 0.347 84 Y C -0.796 175.158 175.900 0.090 0.000 1.000 84 Y CA -1.831 56.324 58.100 0.092 0.000 1.051 84 Y CB 0.742 39.261 38.460 0.098 0.000 1.259 84 Y HN 0.591 nan 8.280 nan 0.000 0.468 85 T N 0.165 114.723 114.554 0.007 0.000 2.902 85 T HA 0.520 4.869 4.350 -0.000 0.000 0.283 85 T C -0.809 173.650 174.700 -0.401 0.000 1.009 85 T CA -0.426 61.557 62.100 -0.196 0.000 1.051 85 T CB 0.827 69.700 68.868 0.009 0.000 0.999 85 T HN 0.953 nan 8.240 nan 0.000 0.474 86 H N -0.433 118.562 119.070 -0.125 0.000 2.767 86 H HA 0.331 4.887 4.556 -0.001 0.000 0.235 86 H C -0.449 174.814 175.328 -0.108 0.000 1.256 86 H CA -1.263 54.649 56.048 -0.226 0.000 0.957 86 H CB -1.423 28.243 29.762 -0.160 0.000 2.117 86 H HN 0.723 nan 8.280 nan 0.000 0.602 87 Y N 0.185 120.453 120.300 -0.053 0.000 2.550 87 Y HA 0.560 5.110 4.550 -0.001 0.000 0.343 87 Y C 0.451 176.352 175.900 0.001 0.000 1.245 87 Y CA -0.741 57.366 58.100 0.012 0.000 1.462 87 Y CB 0.460 38.913 38.460 -0.012 0.000 1.340 87 Y HN 0.363 nan 8.280 nan 0.000 0.604 88 A N 3.574 126.476 122.820 0.136 0.000 2.580 88 A HA 0.824 5.144 4.320 -0.000 0.000 0.275 88 A C -0.889 176.750 177.584 0.091 0.000 1.321 88 A CA -1.092 50.972 52.037 0.047 0.000 0.924 88 A CB 0.586 19.603 19.000 0.029 0.000 1.512 88 A HN 0.819 nan 8.150 nan 0.000 0.492 89 L N 0.180 121.430 121.223 0.045 0.000 2.323 89 L HA 0.377 4.717 4.340 -0.000 0.000 0.265 89 L C -0.349 176.538 176.870 0.029 0.000 1.012 89 L CA -0.982 53.879 54.840 0.034 0.000 0.820 89 L CB 1.741 43.819 42.059 0.032 0.000 1.334 89 L HN 0.768 nan 8.230 nan 0.000 0.427 90 N N 1.807 120.499 118.700 -0.013 0.000 2.422 90 N HA 0.058 4.798 4.740 -0.000 0.000 0.264 90 N C 0.528 176.022 175.510 -0.026 0.000 1.063 90 N CA 0.131 53.170 53.050 -0.018 0.000 0.959 90 N CB 1.564 40.024 38.487 -0.046 0.000 1.087 90 N HN 0.605 nan 8.380 nan 0.000 0.483 91 K N 3.965 124.337 120.400 -0.047 0.000 2.034 91 K HA -0.228 4.091 4.320 -0.000 0.000 0.214 91 K C 1.671 178.197 176.600 -0.122 0.000 1.051 91 K CA 1.749 57.954 56.287 -0.137 0.000 0.931 91 K CB 0.080 32.351 32.500 -0.382 0.000 0.715 91 K HN 0.638 nan 8.250 nan 0.000 0.446 92 K N -0.258 120.082 120.400 -0.100 0.000 1.973 92 K HA -0.104 4.216 4.320 -0.000 0.000 0.210 92 K C 2.118 178.693 176.600 -0.042 0.000 1.045 92 K CA 2.105 58.351 56.287 -0.068 0.000 0.937 92 K CB -1.176 31.289 32.500 -0.058 0.000 0.721 92 K HN 0.300 nan 8.250 nan 0.000 0.438 93 T N -2.502 112.029 114.554 -0.038 0.000 2.951 93 T HA 0.149 4.499 4.350 -0.000 0.000 0.268 93 T C 1.704 176.390 174.700 -0.024 0.000 1.073 93 T CA 1.041 63.125 62.100 -0.026 0.000 1.134 93 T CB -0.522 68.330 68.868 -0.027 0.000 0.884 93 T HN 0.581 nan 8.240 nan 0.000 0.479 94 G N 1.470 110.250 108.800 -0.034 0.000 2.184 94 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.264 94 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.264 94 G C 0.075 174.961 174.900 -0.024 0.000 0.975 94 G CA 0.434 45.517 45.100 -0.028 0.000 0.642 94 G HN 0.665 nan 8.290 nan 0.000 0.536 95 K N 0.835 121.210 120.400 -0.042 0.000 2.107 95 K HA 0.480 4.800 4.320 -0.000 0.000 0.251 95 K C -2.346 174.180 176.600 -0.123 0.000 1.012 95 K CA -1.916 54.329 56.287 -0.070 0.000 0.920 95 K CB 0.632 33.089 32.500 -0.071 0.000 1.033 95 K HN -0.008 nan 8.250 nan 0.000 0.478 96 P HA -0.057 nan 4.420 nan 0.000 0.266 96 P C -1.074 175.900 177.300 -0.542 0.000 1.195 96 P CA 0.230 63.110 63.100 -0.366 0.000 0.768 96 P CB 0.416 31.721 31.700 -0.660 0.000 0.838 97 D N 1.832 122.029 120.400 -0.339 0.000 2.454 97 D HA 0.129 4.769 4.640 -0.000 0.000 0.247 97 D C 0.501 176.706 176.300 -0.158 0.000 1.129 97 D CA -0.593 53.245 54.000 -0.270 0.000 0.877 97 D CB 0.239 40.996 40.800 -0.072 0.000 1.082 97 D HN 0.238 nan 8.370 nan 0.000 0.537 98 Y N 1.424 121.767 120.300 0.071 0.000 2.219 98 Y HA -0.142 4.408 4.550 -0.000 0.000 0.283 98 Y C 1.133 177.107 175.900 0.123 0.000 1.191 98 Y CA 0.535 58.683 58.100 0.080 0.000 1.199 98 Y CB -0.284 38.192 38.460 0.027 0.000 0.972 98 Y HN 0.130 nan 8.280 nan 0.000 0.527 99 V N 0.440 120.478 119.914 0.208 0.000 2.349 99 V HA 0.217 4.337 4.120 -0.000 0.000 0.284 99 V C 0.186 176.366 176.094 0.144 0.000 1.014 99 V CA -0.995 61.418 62.300 0.189 0.000 0.826 99 V CB 1.337 33.245 31.823 0.141 0.000 1.009 99 V HN 0.118 nan 8.190 nan 0.000 0.431 100 T N 3.267 117.929 114.554 0.180 0.000 2.849 100 T HA 0.300 4.650 4.350 -0.000 0.000 0.284 100 T C -0.129 174.638 174.700 0.113 0.000 1.004 100 T CA -0.392 61.787 62.100 0.131 0.000 1.021 100 T CB 0.957 69.921 68.868 0.161 0.000 1.013 100 T HN 0.935 nan 8.240 nan 0.000 0.527 101 D N 0.269 120.731 120.400 0.104 0.000 2.549 101 D HA 0.253 4.893 4.640 -0.000 0.000 0.270 101 D C 1.346 177.766 176.300 0.199 0.000 1.181 101 D CA -0.129 53.968 54.000 0.161 0.000 1.070 101 D CB 0.627 41.474 40.800 0.078 0.000 1.154 101 D HN 0.477 nan 8.370 nan 0.000 0.602 102 S N -0.809 115.052 115.700 0.268 0.000 2.436 102 S HA 0.036 4.505 4.470 -0.000 0.000 0.228 102 S C 2.021 176.637 174.600 0.026 0.000 1.014 102 S CA 0.796 59.126 58.200 0.216 0.000 0.950 102 S CB -0.670 62.677 63.200 0.245 0.000 0.784 102 S HN 0.639 nan 8.310 nan 0.000 0.504 103 A N 2.417 125.236 122.820 -0.003 0.000 1.845 103 A HA 0.293 4.612 4.320 -0.000 0.000 0.215 103 A C 2.567 180.037 177.584 -0.190 0.000 1.195 103 A CA 1.792 53.768 52.037 -0.102 0.000 0.616 103 A CB -1.592 17.359 19.000 -0.082 0.000 0.832 103 A HN 0.936 nan 8.150 nan 0.000 0.443 104 A N -0.006 122.716 122.820 -0.162 0.000 2.067 104 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 104 A C 2.412 179.877 177.584 -0.199 0.000 1.158 104 A CA 2.124 54.042 52.037 -0.198 0.000 0.661 104 A CB -0.744 18.170 19.000 -0.144 0.000 0.801 104 A HN 0.845 nan 8.150 nan 0.000 0.452 105 S N 0.086 115.694 115.700 -0.153 0.000 2.362 105 S HA 0.152 4.622 4.470 -0.000 0.000 0.221 105 S C 2.146 176.453 174.600 -0.487 0.000 1.032 105 S CA 0.919 59.036 58.200 -0.137 0.000 0.973 105 S CB -0.745 62.498 63.200 0.073 0.000 0.849 105 S HN 0.800 nan 8.310 nan 0.000 0.465 106 A N 1.749 124.044 122.820 -0.875 0.000 2.019 106 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 106 A C 2.307 179.173 177.584 -1.197 0.000 1.164 106 A CA 1.908 52.798 52.037 -1.912 0.000 0.644 106 A CB -1.537 16.749 19.000 -1.189 0.000 0.805 106 A HN 0.546 nan 8.150 nan 0.000 0.449 107 T N 0.229 114.397 114.554 -0.644 0.000 2.746 107 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 107 T C 2.241 176.697 174.700 -0.406 0.000 1.039 107 T CA 1.430 63.256 62.100 -0.456 0.000 1.142 107 T CB -0.413 68.249 68.868 -0.344 0.000 0.866 107 T HN 0.610 nan 8.240 nan 0.000 0.444 108 A N 1.659 124.272 122.820 -0.344 0.000 1.865 108 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 108 A C 2.162 179.713 177.584 -0.056 0.000 1.191 108 A CA 2.045 53.965 52.037 -0.195 0.000 0.623 108 A CB -1.245 17.674 19.000 -0.135 0.000 0.826 108 A HN 0.857 nan 8.150 nan 0.000 0.444 109 W N 1.311 122.615 121.300 0.008 0.000 2.467 109 W HA -0.026 4.634 4.660 -0.000 0.000 0.275 109 W C 1.852 178.455 176.519 0.141 0.000 1.239 109 W CA 1.528 58.939 57.345 0.109 0.000 1.266 109 W CB -0.982 28.570 29.460 0.153 0.000 1.112 109 W HN 0.360 nan 8.180 nan 0.000 0.576 110 S N -0.598 115.032 115.700 -0.117 0.000 2.503 110 S HA 0.041 4.510 4.470 -0.000 0.000 0.217 110 S C 1.452 175.952 174.600 -0.167 0.000 0.999 110 S CA 0.886 59.083 58.200 -0.005 0.000 0.914 110 S CB -0.771 62.345 63.200 -0.139 0.000 0.782 110 S HN 0.395 nan 8.310 nan 0.000 0.520 111 T N -4.205 110.031 114.554 -0.530 0.000 3.009 111 T HA 0.534 4.884 4.350 -0.000 0.000 0.267 111 T C 1.466 175.293 174.700 -1.455 0.000 0.942 111 T CA 0.633 62.174 62.100 -0.932 0.000 0.883 111 T CB 0.174 68.772 68.868 -0.450 0.000 1.192 111 T HN 1.160 nan 8.240 nan 0.000 0.524 112 G N 0.791 108.975 108.800 -1.026 0.000 2.159 112 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.256 112 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.256 112 G C 0.017 174.810 174.900 -0.179 0.000 0.977 112 G CA 0.132 44.936 45.100 -0.493 0.000 0.652 112 G HN 1.214 nan 8.290 nan 0.000 0.531 113 V N 0.469 120.193 119.914 -0.317 0.000 2.656 113 V HA 0.723 4.843 4.120 -0.000 0.000 0.307 113 V C -0.140 175.820 176.094 -0.224 0.000 1.051 113 V CA -1.264 60.875 62.300 -0.269 0.000 0.893 113 V CB 1.683 33.245 31.823 -0.436 0.000 0.999 113 V HN 0.179 nan 8.190 nan 0.000 0.426 114 K N 2.989 123.293 120.400 -0.159 0.000 2.202 114 K HA 0.543 4.863 4.320 -0.000 0.000 0.264 114 K C -0.137 176.379 176.600 -0.139 0.000 1.010 114 K CA -0.069 56.128 56.287 -0.150 0.000 0.940 114 K CB 1.573 34.010 32.500 -0.105 0.000 0.983 114 K HN 0.861 nan 8.250 nan 0.000 0.475 115 T N 0.096 114.566 114.554 -0.141 0.000 2.671 115 T HA 0.432 4.782 4.350 -0.000 0.000 0.300 115 T C -1.433 173.209 174.700 -0.097 0.000 1.238 115 T CA -0.764 61.249 62.100 -0.144 0.000 1.020 115 T CB 0.370 69.067 68.868 -0.286 0.000 1.503 115 T HN 0.416 nan 8.240 nan 0.000 0.497 116 Y N 1.040 121.299 120.300 -0.069 0.000 2.301 116 Y HA 0.645 5.195 4.550 -0.000 0.000 0.328 116 Y C 0.533 176.407 175.900 -0.043 0.000 1.242 116 Y CA -1.296 56.772 58.100 -0.054 0.000 1.323 116 Y CB 0.011 38.438 38.460 -0.054 0.000 1.266 116 Y HN 0.358 nan 8.280 nan 0.000 0.527 117 N N 1.234 120.003 118.700 0.116 0.000 2.412 117 N HA 0.262 5.002 4.740 -0.000 0.000 0.254 117 N C 1.076 176.636 175.510 0.083 0.000 1.232 117 N CA 1.375 54.452 53.050 0.045 0.000 0.880 117 N CB 0.923 39.446 38.487 0.059 0.000 1.076 117 N HN 1.104 nan 8.380 nan 0.000 0.458 118 G N -0.161 108.628 108.800 -0.018 0.000 2.279 118 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.223 118 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.223 118 G C 0.215 175.047 174.900 -0.114 0.000 1.015 118 G CA 0.171 45.274 45.100 0.006 0.000 0.621 118 G HN 0.910 nan 8.290 nan 0.000 0.506 119 A N 0.446 122.997 122.820 -0.449 0.000 2.371 119 A HA 0.750 5.070 4.320 -0.000 0.000 0.257 119 A C 0.050 177.439 177.584 -0.325 0.000 1.089 119 A CA 0.218 51.912 52.037 -0.571 0.000 0.794 119 A CB 0.426 18.669 19.000 -1.261 0.000 1.029 119 A HN 0.938 nan 8.150 nan 0.000 0.488 120 L N 1.691 122.783 121.223 -0.218 0.000 2.376 120 L HA 0.545 4.885 4.340 -0.000 0.000 0.275 120 L C 1.139 177.903 176.870 -0.177 0.000 0.987 120 L CA -0.008 54.714 54.840 -0.197 0.000 0.828 120 L CB 1.740 43.706 42.059 -0.155 0.000 1.249 120 L HN 1.189 nan 8.230 nan 0.000 0.409 121 G N 2.751 111.421 108.800 -0.217 0.000 2.233 121 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.270 121 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.270 121 G C -0.061 174.917 174.900 0.130 0.000 1.011 121 G CA 0.625 45.638 45.100 -0.144 0.000 0.762 121 G HN 0.698 nan 8.290 nan 0.000 0.511 122 V N -3.227 116.697 119.914 0.018 0.000 3.078 122 V HA 0.874 4.994 4.120 -0.000 0.000 0.311 122 V C -0.035 176.073 176.094 0.023 0.000 1.138 122 V CA -0.620 61.738 62.300 0.096 0.000 1.007 122 V CB 2.184 34.062 31.823 0.092 0.000 1.045 122 V HN 0.400 nan 8.190 nan 0.000 0.432 123 D N 1.729 122.209 120.400 0.134 0.000 2.506 123 D HA 0.306 4.946 4.640 -0.000 0.000 0.272 123 D C 1.384 177.753 176.300 0.116 0.000 1.214 123 D CA -0.226 53.817 54.000 0.071 0.000 1.067 123 D CB 0.738 41.607 40.800 0.116 0.000 1.117 123 D HN 0.863 nan 8.370 nan 0.000 0.578 124 I N -2.763 117.824 120.570 0.028 0.000 2.530 124 I HA -0.188 3.982 4.170 -0.000 0.000 0.257 124 I C 0.904 176.935 176.117 -0.144 0.000 1.179 124 I CA 1.130 62.427 61.300 -0.006 0.000 1.440 124 I CB -0.499 37.402 38.000 -0.165 0.000 1.087 124 I HN 0.249 nan 8.210 nan 0.000 0.440 125 H N 1.724 120.871 119.070 0.127 0.000 2.539 125 H HA 0.202 4.758 4.556 -0.000 0.000 0.269 125 H C 0.292 175.675 175.328 0.092 0.000 0.980 125 H CA 0.491 56.589 56.048 0.083 0.000 1.152 125 H CB -0.025 29.777 29.762 0.066 0.000 1.407 125 H HN 0.562 nan 8.280 nan 0.000 0.564 126 E N -0.017 120.309 120.200 0.211 0.000 3.286 126 E HA -0.208 4.142 4.350 -0.000 0.000 0.292 126 E C 0.438 177.117 176.600 0.132 0.000 0.928 126 E CA 0.527 57.035 56.400 0.181 0.000 0.982 126 E CB -0.957 28.835 29.700 0.152 0.000 1.500 126 E HN 0.384 nan 8.360 nan 0.000 0.441 127 K N 1.614 122.104 120.400 0.150 0.000 2.237 127 K HA 0.133 4.452 4.320 -0.000 0.000 0.270 127 K C -0.331 176.282 176.600 0.020 0.000 1.015 127 K CA -0.385 55.928 56.287 0.043 0.000 0.949 127 K CB 0.701 33.204 32.500 0.005 0.000 0.976 127 K HN -0.144 nan 8.250 nan 0.000 0.472 128 D N 2.215 122.552 120.400 -0.105 0.000 2.304 128 D HA 0.226 4.866 4.640 -0.000 0.000 0.247 128 D C -0.451 175.675 176.300 -0.290 0.000 1.089 128 D CA 0.189 54.126 54.000 -0.105 0.000 0.910 128 D CB 0.672 41.303 40.800 -0.282 0.000 1.199 128 D HN 0.407 nan 8.370 nan 0.000 0.426 129 H N 0.776 119.852 119.070 0.009 0.000 2.679 129 H HA 0.297 4.853 4.556 -0.000 0.000 0.360 129 H C -2.286 173.073 175.328 0.052 0.000 1.105 129 H CA -1.677 54.358 56.048 -0.021 0.000 1.196 129 H CB 2.097 31.815 29.762 -0.075 0.000 1.636 129 H HN 0.136 nan 8.280 nan 0.000 0.531 130 P HA -0.041 nan 4.420 nan 0.000 0.268 130 P C 0.292 177.653 177.300 0.101 0.000 1.205 130 P CA -0.029 63.142 63.100 0.117 0.000 0.771 130 P CB 0.543 32.285 31.700 0.069 0.000 0.858 131 T N -0.160 114.462 114.554 0.113 0.000 2.922 131 T HA 0.190 4.540 4.350 -0.000 0.000 0.285 131 T C 1.227 175.970 174.700 0.071 0.000 1.005 131 T CA -0.671 61.459 62.100 0.050 0.000 1.061 131 T CB 0.450 69.312 68.868 -0.009 0.000 1.007 131 T HN 0.147 nan 8.240 nan 0.000 0.502 132 I N 2.240 122.867 120.570 0.094 0.000 2.315 132 I HA -0.095 4.075 4.170 -0.000 0.000 0.251 132 I C 1.921 177.840 176.117 -0.331 0.000 1.125 132 I CA 1.267 62.503 61.300 -0.107 0.000 1.392 132 I CB -0.726 37.102 38.000 -0.286 0.000 1.065 132 I HN 0.839 nan 8.210 nan 0.000 0.424 133 L N 0.039 121.118 121.223 -0.240 0.000 2.023 133 L HA -0.192 4.148 4.340 -0.000 0.000 0.205 133 L C 2.420 179.294 176.870 0.006 0.000 1.073 133 L CA 1.598 56.387 54.840 -0.086 0.000 0.745 133 L CB -0.530 41.605 42.059 0.127 0.000 0.900 133 L HN 0.239 nan 8.230 nan 0.000 0.435 134 E N -0.442 119.777 120.200 0.032 0.000 2.118 134 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 134 E C 2.163 178.783 176.600 0.034 0.000 0.992 134 E CA 1.791 58.225 56.400 0.056 0.000 0.804 134 E CB -0.221 29.533 29.700 0.089 0.000 0.741 134 E HN 0.559 nan 8.360 nan 0.000 0.458 135 M N 0.275 119.884 119.600 0.014 0.000 2.229 135 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 135 M C 2.411 178.700 176.300 -0.018 0.000 1.063 135 M CA 1.276 56.577 55.300 0.001 0.000 1.114 135 M CB -0.085 32.515 32.600 -0.001 0.000 1.387 135 M HN 0.136 nan 8.290 nan 0.000 0.420 136 A N 0.374 123.170 122.820 -0.039 0.000 1.872 136 A HA -0.167 4.153 4.320 -0.000 0.000 0.214 136 A C 2.128 179.734 177.584 0.036 0.000 1.187 136 A CA 1.719 53.749 52.037 -0.011 0.000 0.614 136 A CB -0.595 18.409 19.000 0.006 0.000 0.826 136 A HN 0.401 nan 8.150 nan 0.000 0.442 137 K N -0.231 120.200 120.400 0.052 0.000 2.044 137 K HA -0.181 4.138 4.320 -0.000 0.000 0.210 137 K C 2.120 178.745 176.600 0.041 0.000 1.049 137 K CA 1.438 57.761 56.287 0.059 0.000 0.927 137 K CB -0.342 32.196 32.500 0.063 0.000 0.713 137 K HN 0.383 nan 8.250 nan 0.000 0.443 138 A N 0.689 123.528 122.820 0.031 0.000 1.933 138 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 138 A C 2.161 179.757 177.584 0.020 0.000 1.175 138 A CA 1.839 53.891 52.037 0.024 0.000 0.628 138 A CB -0.602 18.411 19.000 0.021 0.000 0.814 138 A HN 0.473 nan 8.150 nan 0.000 0.444 139 A N -2.104 120.726 122.820 0.017 0.000 2.235 139 A HA 0.404 4.724 4.320 -0.000 0.000 0.208 139 A C 1.792 179.389 177.584 0.022 0.000 1.172 139 A CA 1.256 53.301 52.037 0.014 0.000 0.786 139 A CB -0.811 18.191 19.000 0.002 0.000 0.804 139 A HN 1.875 nan 8.150 nan 0.000 0.479 140 G N -1.583 107.236 108.800 0.031 0.000 2.176 140 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.232 140 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.232 140 G C 0.125 175.057 174.900 0.053 0.000 0.986 140 G CA 0.120 45.242 45.100 0.037 0.000 0.643 140 G HN 0.387 nan 8.290 nan 0.000 0.522 141 L N 1.065 122.326 121.223 0.063 0.000 2.452 141 L HA 0.591 4.931 4.340 -0.000 0.000 0.267 141 L C 1.279 178.224 176.870 0.125 0.000 1.188 141 L CA -0.079 54.819 54.840 0.098 0.000 0.821 141 L CB 1.006 43.126 42.059 0.101 0.000 1.102 141 L HN 0.361 nan 8.230 nan 0.000 0.470 142 A N 1.611 124.530 122.820 0.166 0.000 2.371 142 A HA 0.563 4.883 4.320 -0.000 0.000 0.257 142 A C 0.056 177.761 177.584 0.202 0.000 1.089 142 A CA -0.222 51.904 52.037 0.148 0.000 0.794 142 A CB 0.423 19.494 19.000 0.119 0.000 1.029 142 A HN 0.724 nan 8.150 nan 0.000 0.488 143 T N -0.764 113.879 114.554 0.149 0.000 2.876 143 T HA 0.757 5.107 4.350 -0.000 0.000 0.289 143 T C -0.182 174.584 174.700 0.110 0.000 1.014 143 T CA -0.054 62.163 62.100 0.197 0.000 0.986 143 T CB 1.832 70.836 68.868 0.226 0.000 1.021 143 T HN 1.456 nan 8.240 nan 0.000 0.458 144 G N 0.923 109.777 108.800 0.090 0.000 2.620 144 G HA2 0.597 4.556 3.960 -0.000 0.000 0.301 144 G HA3 0.597 4.556 3.960 -0.000 0.000 0.301 144 G C -1.616 173.288 174.900 0.008 0.000 1.347 144 G CA -0.841 44.263 45.100 0.006 0.000 0.971 144 G HN 0.771 nan 8.290 nan 0.000 0.488 145 N N 0.506 119.215 118.700 0.015 0.000 2.571 145 N HA 0.456 5.196 4.740 -0.000 0.000 0.286 145 N C -1.392 174.128 175.510 0.017 0.000 1.138 145 N CA -0.238 52.832 53.050 0.033 0.000 0.859 145 N CB 1.993 40.525 38.487 0.074 0.000 1.414 145 N HN 0.291 nan 8.380 nan 0.000 0.529 146 V N 1.334 121.247 119.914 -0.002 0.000 2.604 146 V HA 0.813 4.933 4.120 -0.000 0.000 0.305 146 V C -0.284 175.813 176.094 0.005 0.000 1.043 146 V CA -0.603 61.698 62.300 0.001 0.000 0.888 146 V CB 1.639 33.442 31.823 -0.033 0.000 0.995 146 V HN 0.656 nan 8.190 nan 0.000 0.429 147 S N 1.750 117.462 115.700 0.020 0.000 2.547 147 S HA 0.397 4.866 4.470 -0.000 0.000 0.270 147 S C 0.597 175.211 174.600 0.024 0.000 1.150 147 S CA 0.226 58.437 58.200 0.019 0.000 0.850 147 S CB 2.149 65.369 63.200 0.034 0.000 1.118 147 S HN 1.034 nan 8.310 nan 0.000 0.461 148 T N 0.793 115.353 114.554 0.009 0.000 3.100 148 T HA 0.516 4.866 4.350 -0.000 0.000 0.253 148 T C 0.830 175.549 174.700 0.031 0.000 1.118 148 T CA 0.501 62.608 62.100 0.011 0.000 1.058 148 T CB -0.121 68.736 68.868 -0.018 0.000 0.953 148 T HN 0.873 nan 8.240 nan 0.000 0.515 149 A N 1.071 123.914 122.820 0.039 0.000 2.298 149 A HA 0.586 4.905 4.320 -0.000 0.000 0.302 149 A C 0.040 177.652 177.584 0.047 0.000 1.177 149 A CA -0.865 51.203 52.037 0.051 0.000 0.912 149 A CB 0.433 19.469 19.000 0.060 0.000 1.331 149 A HN 0.483 nan 8.150 nan 0.000 0.504 150 E N -0.554 119.677 120.200 0.052 0.000 2.415 150 E HA 0.094 4.443 4.350 -0.000 0.000 0.262 150 E C 0.382 176.968 176.600 -0.023 0.000 1.038 150 E CA -0.050 56.368 56.400 0.029 0.000 0.921 150 E CB 0.392 30.121 29.700 0.048 0.000 0.950 150 E HN 0.506 nan 8.360 nan 0.000 0.438 151 L N 2.453 123.662 121.223 -0.025 0.000 2.465 151 L HA -0.177 4.163 4.340 -0.000 0.000 0.224 151 L C 1.626 178.416 176.870 -0.133 0.000 1.145 151 L CA 0.854 55.673 54.840 -0.035 0.000 0.834 151 L CB -0.173 41.900 42.059 0.022 0.000 0.944 151 L HN 0.491 nan 8.230 nan 0.000 0.451 152 Q N -1.003 118.621 119.800 -0.293 0.000 2.403 152 Q HA 0.022 4.362 4.340 -0.000 0.000 0.203 152 Q C 0.304 175.951 176.000 -0.588 0.000 0.932 152 Q CA 0.108 55.551 55.803 -0.601 0.000 0.945 152 Q CB -0.051 28.012 28.738 -1.125 0.000 1.045 152 Q HN 0.241 nan 8.270 nan 0.000 0.511 153 D N -0.541 119.698 120.400 -0.269 0.000 2.360 153 D HA 0.198 4.838 4.640 -0.000 0.000 0.242 153 D C 0.920 177.199 176.300 -0.035 0.000 1.184 153 D CA 0.442 54.410 54.000 -0.054 0.000 0.930 153 D CB 0.900 41.725 40.800 0.043 0.000 1.161 153 D HN 0.095 nan 8.370 nan 0.000 0.447 154 A N 1.730 124.564 122.820 0.024 0.000 1.903 154 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 154 A C 2.093 179.661 177.584 -0.025 0.000 1.191 154 A CA 2.589 54.623 52.037 -0.006 0.000 0.638 154 A CB -1.132 17.875 19.000 0.012 0.000 0.823 154 A HN 0.715 nan 8.150 nan 0.000 0.451 155 T N 0.539 115.116 114.554 0.038 0.000 2.622 155 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 155 T C -0.042 174.709 174.700 0.085 0.000 1.047 155 T CA 1.834 63.990 62.100 0.092 0.000 1.159 155 T CB -1.335 67.645 68.868 0.188 0.000 0.863 155 T HN 0.551 nan 8.240 nan 0.000 0.422 156 P HA 0.100 nan 4.420 nan 0.000 0.218 156 P C 1.552 178.855 177.300 0.004 0.000 1.152 156 P CA 1.306 64.439 63.100 0.054 0.000 0.826 156 P CB -0.235 31.484 31.700 0.033 0.000 0.790 157 A N 1.271 124.063 122.820 -0.047 0.000 1.917 157 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 157 A C 2.529 180.042 177.584 -0.119 0.000 1.182 157 A CA 2.557 54.539 52.037 -0.092 0.000 0.633 157 A CB -1.709 17.217 19.000 -0.124 0.000 0.819 157 A HN 0.234 nan 8.150 nan 0.000 0.448 158 A N -0.677 122.061 122.820 -0.138 0.000 2.084 158 A HA -0.074 4.245 4.320 -0.000 0.000 0.221 158 A C 2.054 179.521 177.584 -0.195 0.000 1.161 158 A CA 1.569 53.479 52.037 -0.212 0.000 0.653 158 A CB -0.536 18.291 19.000 -0.289 0.000 0.802 158 A HN 0.519 nan 8.150 nan 0.000 0.457 159 L N -0.918 120.256 121.223 -0.081 0.000 2.341 159 L HA -0.024 4.316 4.340 -0.000 0.000 0.214 159 L C 1.650 178.498 176.870 -0.036 0.000 1.115 159 L CA 1.078 55.912 54.840 -0.009 0.000 0.820 159 L CB 0.199 42.337 42.059 0.131 0.000 0.944 159 L HN 0.446 nan 8.230 nan 0.000 0.452 160 V N -5.452 114.417 119.914 -0.075 0.000 3.382 160 V HA 0.570 4.690 4.120 -0.000 0.000 0.296 160 V C 0.262 176.305 176.094 -0.085 0.000 1.529 160 V CA -0.152 62.126 62.300 -0.037 0.000 1.048 160 V CB 0.175 32.007 31.823 0.015 0.000 0.878 160 V HN 0.068 nan 8.190 nan 0.000 0.442 161 A N 0.211 122.895 122.820 -0.227 0.000 2.414 161 A HA 0.862 5.182 4.320 -0.000 0.000 0.306 161 A C -1.034 176.308 177.584 -0.404 0.000 1.054 161 A CA -0.443 51.477 52.037 -0.195 0.000 0.724 161 A CB 1.142 20.074 19.000 -0.113 0.000 1.267 161 A HN 0.523 nan 8.150 nan 0.000 0.418 162 H N 1.686 120.738 119.070 -0.029 0.000 2.860 162 H HA 0.527 5.082 4.556 -0.000 0.000 0.312 162 H C -0.938 174.380 175.328 -0.016 0.000 0.995 162 H CA -0.374 55.657 56.048 -0.028 0.000 1.311 162 H CB 1.378 31.128 29.762 -0.020 0.000 1.478 162 H HN 0.790 nan 8.280 nan 0.000 0.508 163 V N -0.118 119.829 119.914 0.055 0.000 3.087 163 V HA 0.288 4.408 4.120 -0.000 0.000 0.306 163 V C 1.158 177.282 176.094 0.050 0.000 1.187 163 V CA -0.698 61.634 62.300 0.052 0.000 0.999 163 V CB 1.823 33.667 31.823 0.035 0.000 1.049 163 V HN 0.707 nan 8.190 nan 0.000 0.431 164 T N -1.077 113.529 114.554 0.088 0.000 2.962 164 T HA 0.072 4.421 4.350 -0.000 0.000 0.270 164 T C 0.833 175.635 174.700 0.170 0.000 1.088 164 T CA 1.317 63.513 62.100 0.160 0.000 1.127 164 T CB -0.149 68.808 68.868 0.148 0.000 0.883 164 T HN 1.379 nan 8.240 nan 0.000 0.493 165 S N 0.501 116.258 115.700 0.095 0.000 2.547 165 S HA 0.428 4.898 4.470 -0.000 0.000 0.281 165 S C 0.917 175.553 174.600 0.059 0.000 1.118 165 S CA -1.059 57.190 58.200 0.082 0.000 0.947 165 S CB 1.656 64.898 63.200 0.071 0.000 1.053 165 S HN 0.498 nan 8.310 nan 0.000 0.482 166 R N 3.402 123.935 120.500 0.055 0.000 2.189 166 R HA 0.093 4.433 4.340 -0.000 0.000 0.223 166 R C 0.902 177.306 176.300 0.173 0.000 1.092 166 R CA 0.850 56.999 56.100 0.082 0.000 0.989 166 R CB -0.294 30.044 30.300 0.065 0.000 0.876 166 R HN 0.454 nan 8.270 nan 0.000 0.457 167 K N 0.542 120.998 120.400 0.093 0.000 2.515 167 K HA 0.001 4.320 4.320 -0.000 0.000 0.196 167 K C 0.305 176.942 176.600 0.061 0.000 1.038 167 K CA 0.507 56.800 56.287 0.010 0.000 0.967 167 K CB 0.077 32.553 32.500 -0.040 0.000 0.780 167 K HN 0.200 nan 8.250 nan 0.000 0.483 168 c N 2.413 121.099 118.600 0.143 0.000 3.057 168 c HA 0.151 4.721 4.570 -0.000 0.000 0.563 168 c C 1.506 175.714 174.090 0.196 0.000 1.129 168 c CA -0.891 55.511 56.329 0.123 0.000 1.284 168 c CB -2.326 40.224 42.510 0.067 0.000 1.532 168 c HN 0.329 nan 8.230 nan 0.000 0.631 169 Y N 1.766 122.039 120.300 -0.045 0.000 2.097 169 Y HA 0.061 4.611 4.550 -0.001 0.000 0.282 169 Y C 1.866 177.707 175.900 -0.099 0.000 1.152 169 Y CA 1.702 59.763 58.100 -0.065 0.000 1.136 169 Y CB -0.694 37.733 38.460 -0.054 0.000 0.975 169 Y HN 0.516 nan 8.280 nan 0.000 0.498 170 G N -3.212 105.646 108.800 0.097 0.000 2.798 170 G HA2 0.390 4.350 3.960 -0.000 0.000 0.286 170 G HA3 0.390 4.350 3.960 -0.000 0.000 0.286 170 G C -2.150 172.748 174.900 -0.005 0.000 1.389 170 G CA -1.138 43.955 45.100 -0.012 0.000 0.894 170 G HN -0.231 nan 8.290 nan 0.000 0.488 171 P HA -0.276 nan 4.420 nan 0.000 0.218 171 P C 2.328 179.627 177.300 -0.002 0.000 1.165 171 P CA 2.773 65.868 63.100 -0.009 0.000 0.922 171 P CB 0.055 31.749 31.700 -0.011 0.000 0.794 172 S N -0.638 115.060 115.700 -0.003 0.000 2.351 172 S HA -0.214 4.256 4.470 -0.000 0.000 0.220 172 S C 2.078 176.675 174.600 -0.006 0.000 1.035 172 S CA 2.030 60.227 58.200 -0.004 0.000 1.031 172 S CB -1.342 61.854 63.200 -0.007 0.000 0.928 172 S HN 0.140 nan 8.310 nan 0.000 0.433 173 A N 0.711 123.527 122.820 -0.006 0.000 1.933 173 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 173 A C 2.452 180.037 177.584 0.001 0.000 1.175 173 A CA 2.268 54.298 52.037 -0.012 0.000 0.628 173 A CB -1.706 17.281 19.000 -0.022 0.000 0.814 173 A HN 0.643 nan 8.150 nan 0.000 0.444 174 T N 0.257 114.819 114.554 0.013 0.000 2.708 174 T HA -0.124 4.225 4.350 -0.000 0.000 0.266 174 T C 2.218 176.924 174.700 0.010 0.000 1.037 174 T CA 1.738 63.848 62.100 0.016 0.000 1.146 174 T CB -0.368 68.510 68.868 0.017 0.000 0.865 174 T HN 0.521 nan 8.240 nan 0.000 0.435 175 S N 1.681 117.385 115.700 0.006 0.000 2.402 175 S HA -0.183 4.287 4.470 -0.000 0.000 0.233 175 S C 2.087 176.688 174.600 0.001 0.000 1.030 175 S CA 1.569 59.772 58.200 0.004 0.000 1.003 175 S CB -0.320 62.881 63.200 0.002 0.000 0.813 175 S HN 0.798 nan 8.310 nan 0.000 0.477 176 E N 1.109 121.308 120.200 -0.002 0.000 2.102 176 E HA 0.049 4.398 4.350 -0.000 0.000 0.190 176 E C 1.694 178.291 176.600 -0.004 0.000 0.971 176 E CA 0.465 56.862 56.400 -0.006 0.000 0.821 176 E CB -0.070 29.623 29.700 -0.011 0.000 0.777 176 E HN 0.331 nan 8.360 nan 0.000 0.460 177 K N 0.119 120.519 120.400 -0.001 0.000 2.335 177 K HA 0.213 4.532 4.320 -0.000 0.000 0.195 177 K C 0.361 176.970 176.600 0.015 0.000 1.058 177 K CA 0.258 56.548 56.287 0.004 0.000 0.988 177 K CB 0.842 33.342 32.500 -0.000 0.000 0.880 177 K HN 0.078 nan 8.250 nan 0.000 0.513 178 c N 3.586 122.197 118.600 0.019 0.000 3.273 178 c HA 0.263 4.833 4.570 -0.000 0.000 0.227 178 c C -1.591 172.512 174.090 0.021 0.000 1.409 178 c CA -1.283 55.062 56.329 0.027 0.000 1.516 178 c CB 0.470 43.001 42.510 0.036 0.000 1.853 178 c HN 0.215 nan 8.230 nan 0.000 0.472 179 P HA -0.077 nan 4.420 nan 0.000 0.218 179 P C 1.616 178.924 177.300 0.013 0.000 1.149 179 P CA 1.653 64.760 63.100 0.011 0.000 0.817 179 P CB 0.173 31.877 31.700 0.006 0.000 0.785 180 G N -0.518 108.292 108.800 0.017 0.000 2.509 180 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.218 180 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.218 180 G C 1.254 176.167 174.900 0.021 0.000 1.124 180 G CA 0.473 45.584 45.100 0.018 0.000 0.776 180 G HN 0.353 nan 8.290 nan 0.000 0.547 181 N N -0.112 118.603 118.700 0.025 0.000 2.282 181 N HA 0.311 5.050 4.740 -0.000 0.000 0.185 181 N C 0.962 176.485 175.510 0.023 0.000 1.099 181 N CA 0.024 53.090 53.050 0.027 0.000 0.878 181 N CB 0.483 38.991 38.487 0.036 0.000 0.993 181 N HN 0.242 nan 8.380 nan 0.000 0.481 182 A N 0.974 123.805 122.820 0.019 0.000 2.561 182 A HA -0.031 4.289 4.320 -0.000 0.000 0.251 182 A C 1.295 178.889 177.584 0.017 0.000 1.062 182 A CA -0.093 51.953 52.037 0.016 0.000 0.761 182 A CB -0.006 19.002 19.000 0.012 0.000 0.986 182 A HN 0.283 nan 8.150 nan 0.000 0.510 183 L N 2.131 123.366 121.223 0.020 0.000 2.043 183 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 183 L C 2.702 179.584 176.870 0.019 0.000 1.075 183 L CA 2.665 57.520 54.840 0.026 0.000 0.752 183 L CB -0.389 41.692 42.059 0.037 0.000 0.891 183 L HN 0.911 nan 8.230 nan 0.000 0.432 184 E N -0.365 119.844 120.200 0.015 0.000 2.418 184 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 184 E C 0.866 177.470 176.600 0.007 0.000 1.026 184 E CA 0.947 57.353 56.400 0.010 0.000 0.862 184 E CB -0.177 29.528 29.700 0.009 0.000 0.799 184 E HN 0.533 nan 8.360 nan 0.000 0.518 185 K N 0.264 120.669 120.400 0.008 0.000 2.593 185 K HA 0.237 4.557 4.320 -0.000 0.000 0.208 185 K C 0.439 177.042 176.600 0.005 0.000 1.051 185 K CA 0.264 56.554 56.287 0.005 0.000 1.111 185 K CB 0.887 33.390 32.500 0.005 0.000 0.849 185 K HN 0.230 nan 8.250 nan 0.000 0.479 186 G N 1.380 110.184 108.800 0.006 0.000 2.160 186 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 186 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 186 G C 0.416 175.321 174.900 0.009 0.000 1.008 186 G CA 0.036 45.140 45.100 0.006 0.000 0.724 186 G HN 0.514 nan 8.290 nan 0.000 0.514 187 G N -1.181 107.627 108.800 0.013 0.000 2.543 187 G HA2 0.538 4.497 3.960 -0.000 0.000 0.290 187 G HA3 0.538 4.497 3.960 -0.000 0.000 0.290 187 G C 0.861 175.773 174.900 0.021 0.000 1.310 187 G CA 0.176 45.285 45.100 0.016 0.000 1.025 187 G HN 0.265 nan 8.290 nan 0.000 0.502 188 K N -0.883 119.531 120.400 0.024 0.000 2.228 188 K HA 0.261 4.580 4.320 -0.000 0.000 0.202 188 K C 1.153 177.776 176.600 0.039 0.000 1.051 188 K CA 0.942 57.248 56.287 0.031 0.000 0.960 188 K CB 0.015 32.534 32.500 0.031 0.000 0.743 188 K HN 0.857 nan 8.250 nan 0.000 0.458 189 G N 0.130 108.950 108.800 0.032 0.000 2.331 189 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.402 189 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.402 189 G C -0.767 174.142 174.900 0.015 0.000 1.275 189 G CA -0.409 44.706 45.100 0.024 0.000 1.003 189 G HN 0.174 nan 8.290 nan 0.000 0.500 190 S N -1.023 114.674 115.700 -0.004 0.000 2.655 190 S HA 0.625 5.095 4.470 -0.000 0.000 0.265 190 S C 1.719 176.296 174.600 -0.039 0.000 1.240 190 S CA 0.037 58.229 58.200 -0.014 0.000 0.986 190 S CB 1.184 64.367 63.200 -0.028 0.000 0.985 190 S HN 0.846 nan 8.310 nan 0.000 0.562 191 I N 0.879 121.420 120.570 -0.049 0.000 2.163 191 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 191 I C 2.700 178.732 176.117 -0.142 0.000 1.085 191 I CA 1.689 62.934 61.300 -0.092 0.000 1.347 191 I CB -0.926 36.997 38.000 -0.130 0.000 1.044 191 I HN 0.742 nan 8.210 nan 0.000 0.408 192 T N -0.053 114.374 114.554 -0.211 0.000 2.746 192 T HA -0.184 4.165 4.350 -0.000 0.000 0.267 192 T C 1.731 176.270 174.700 -0.269 0.000 1.039 192 T CA 1.398 63.294 62.100 -0.341 0.000 1.142 192 T CB -0.298 68.227 68.868 -0.572 0.000 0.866 192 T HN 0.420 nan 8.240 nan 0.000 0.444 193 E N 1.077 121.167 120.200 -0.184 0.000 2.110 193 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 193 E C 2.487 179.054 176.600 -0.054 0.000 0.988 193 E CA 0.978 57.312 56.400 -0.110 0.000 0.804 193 E CB -0.103 29.565 29.700 -0.053 0.000 0.745 193 E HN 0.589 nan 8.360 nan 0.000 0.458 194 Q N 0.261 120.041 119.800 -0.034 0.000 2.245 194 Q HA -0.050 4.289 4.340 -0.000 0.000 0.201 194 Q C 2.349 178.355 176.000 0.010 0.000 0.955 194 Q CA 0.411 56.222 55.803 0.014 0.000 0.870 194 Q CB -0.017 28.744 28.738 0.038 0.000 0.945 194 Q HN 0.274 nan 8.270 nan 0.000 0.461 195 L N 0.762 121.965 121.223 -0.034 0.000 2.042 195 L HA -0.200 4.139 4.340 -0.000 0.000 0.210 195 L C 2.036 178.911 176.870 0.009 0.000 1.076 195 L CA 1.278 56.107 54.840 -0.019 0.000 0.749 195 L CB -0.122 41.902 42.059 -0.058 0.000 0.893 195 L HN 0.198 nan 8.230 nan 0.000 0.432 196 L N -0.282 120.915 121.223 -0.043 0.000 2.093 196 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 196 L C 2.216 179.145 176.870 0.098 0.000 1.085 196 L CA 0.902 55.717 54.840 -0.042 0.000 0.755 196 L CB -0.691 41.276 42.059 -0.154 0.000 0.904 196 L HN 0.393 nan 8.230 nan 0.000 0.435 197 N N 0.246 118.986 118.700 0.067 0.000 2.250 197 N HA -0.074 4.665 4.740 -0.000 0.000 0.181 197 N C 1.913 177.488 175.510 0.110 0.000 1.017 197 N CA 1.276 54.384 53.050 0.097 0.000 0.866 197 N CB -0.202 38.336 38.487 0.086 0.000 0.985 197 N HN 0.242 nan 8.380 nan 0.000 0.429 198 A N 0.950 123.832 122.820 0.104 0.000 1.986 198 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 198 A C 1.075 178.730 177.584 0.118 0.000 1.171 198 A CA 0.905 53.005 52.037 0.105 0.000 0.640 198 A CB -0.521 18.535 19.000 0.093 0.000 0.811 198 A HN 0.401 nan 8.150 nan 0.000 0.451 199 R N -1.843 118.761 120.500 0.173 0.000 3.264 199 R HA -0.181 4.159 4.340 -0.000 0.000 0.251 199 R C 0.183 176.548 176.300 0.109 0.000 0.971 199 R CA 0.112 56.310 56.100 0.164 0.000 0.658 199 R CB -1.990 28.339 30.300 0.047 0.000 1.095 199 R HN 0.858 nan 8.270 nan 0.000 0.443 200 A N 0.589 123.497 122.820 0.147 0.000 2.425 200 A HA 0.073 4.393 4.320 -0.000 0.000 0.242 200 A C 1.133 178.766 177.584 0.082 0.000 1.077 200 A CA 0.137 52.242 52.037 0.113 0.000 0.781 200 A CB 0.278 19.352 19.000 0.123 0.000 1.020 200 A HN 0.523 nan 8.150 nan 0.000 0.494 201 D N -0.053 120.377 120.400 0.050 0.000 2.144 201 D HA -0.041 4.599 4.640 -0.000 0.000 0.200 201 D C 0.068 176.377 176.300 0.014 0.000 0.978 201 D CA 1.563 55.569 54.000 0.009 0.000 0.833 201 D CB -0.029 40.769 40.800 -0.003 0.000 0.961 201 D HN 0.221 nan 8.370 nan 0.000 0.470 202 V N 0.889 120.816 119.914 0.021 0.000 2.525 202 V HA 0.280 4.400 4.120 -0.000 0.000 0.299 202 V C -0.437 175.675 176.094 0.030 0.000 1.034 202 V CA -0.526 61.780 62.300 0.010 0.000 0.863 202 V CB 2.148 33.946 31.823 -0.041 0.000 0.999 202 V HN -0.121 nan 8.190 nan 0.000 0.423 203 T N 6.710 121.288 114.554 0.039 0.000 2.906 203 T HA 0.688 5.038 4.350 -0.000 0.000 0.302 203 T C -0.699 174.005 174.700 0.007 0.000 1.002 203 T CA -0.303 61.816 62.100 0.030 0.000 0.988 203 T CB 0.770 69.662 68.868 0.040 0.000 0.972 203 T HN 0.377 nan 8.240 nan 0.000 0.447 204 L N 2.666 123.911 121.223 0.037 0.000 2.410 204 L HA 0.889 5.229 4.340 -0.000 0.000 0.270 204 L C 0.532 177.474 176.870 0.121 0.000 0.983 204 L CA -0.624 54.282 54.840 0.109 0.000 0.822 204 L CB 2.082 44.247 42.059 0.176 0.000 1.285 204 L HN 0.901 nan 8.230 nan 0.000 0.409 205 G N 1.449 110.339 108.800 0.151 0.000 2.452 205 G HA2 0.452 4.411 3.960 -0.000 0.000 0.224 205 G HA3 0.452 4.411 3.960 -0.000 0.000 0.224 205 G C -0.950 174.014 174.900 0.108 0.000 1.208 205 G CA 0.095 45.280 45.100 0.141 0.000 0.946 205 G HN 0.811 nan 8.290 nan 0.000 0.481 206 G N -2.232 106.607 108.800 0.065 0.000 2.971 206 G HA2 0.651 4.610 3.960 -0.000 0.000 0.235 206 G HA3 0.651 4.610 3.960 -0.000 0.000 0.235 206 G C 0.941 175.860 174.900 0.032 0.000 1.351 206 G CA 0.503 45.630 45.100 0.046 0.000 1.039 206 G HN 2.362 nan 8.290 nan 0.000 0.563 207 G N -1.981 106.854 108.800 0.057 0.000 2.140 207 G HA2 0.147 4.107 3.960 -0.000 0.000 0.211 207 G HA3 0.147 4.107 3.960 -0.000 0.000 0.211 207 G C 1.153 176.155 174.900 0.171 0.000 1.013 207 G CA 1.025 46.186 45.100 0.102 0.000 0.705 207 G HN 1.623 nan 8.290 nan 0.000 0.508 208 A N -0.194 122.673 122.820 0.078 0.000 1.978 208 A HA 0.048 4.368 4.320 -0.000 0.000 0.220 208 A C 2.179 179.855 177.584 0.154 0.000 1.170 208 A CA 2.371 54.441 52.037 0.055 0.000 0.636 208 A CB -0.349 18.621 19.000 -0.051 0.000 0.810 208 A HN 0.595 nan 8.150 nan 0.000 0.448 209 K N -0.924 119.548 120.400 0.120 0.000 2.000 209 K HA -0.188 4.132 4.320 -0.000 0.000 0.218 209 K C 2.011 178.680 176.600 0.115 0.000 1.053 209 K CA 2.178 58.526 56.287 0.102 0.000 0.946 209 K CB -0.496 32.057 32.500 0.088 0.000 0.723 209 K HN 0.446 nan 8.250 nan 0.000 0.446 210 T N 0.516 115.142 114.554 0.120 0.000 2.897 210 T HA -0.137 4.213 4.350 -0.000 0.000 0.271 210 T C 1.251 175.924 174.700 -0.044 0.000 1.084 210 T CA 1.147 63.268 62.100 0.034 0.000 1.123 210 T CB -0.266 68.599 68.868 -0.005 0.000 0.865 210 T HN 0.157 nan 8.240 nan 0.000 0.496 211 F N 0.996 120.920 119.950 -0.043 0.000 2.771 211 F HA 0.218 4.745 4.527 -0.000 0.000 0.299 211 F C 2.177 177.948 175.800 -0.048 0.000 1.177 211 F CA 0.058 58.017 58.000 -0.067 0.000 1.450 211 F CB -0.259 38.680 39.000 -0.101 0.000 1.114 211 F HN 0.133 nan 8.300 nan 0.000 0.587 212 A N -0.921 121.963 122.820 0.106 0.000 2.218 212 A HA 0.061 4.381 4.320 -0.000 0.000 0.209 212 A C 0.974 178.576 177.584 0.030 0.000 1.168 212 A CA -0.046 52.028 52.037 0.061 0.000 0.804 212 A CB -0.392 18.639 19.000 0.051 0.000 0.834 212 A HN 0.236 nan 8.150 nan 0.000 0.482 213 E N 0.775 120.979 120.200 0.006 0.000 2.374 213 E HA 0.324 4.674 4.350 -0.000 0.000 0.260 213 E C -0.179 176.418 176.600 -0.004 0.000 1.101 213 E CA 0.190 56.587 56.400 -0.006 0.000 0.907 213 E CB 0.609 30.293 29.700 -0.026 0.000 1.014 213 E HN 0.394 nan 8.360 nan 0.000 0.427 214 T N -1.781 112.776 114.554 0.006 0.000 2.823 214 T HA 0.588 4.937 4.350 -0.000 0.000 0.279 214 T C -0.024 174.690 174.700 0.024 0.000 0.998 214 T CA -1.099 61.013 62.100 0.021 0.000 0.994 214 T CB 1.594 70.479 68.868 0.028 0.000 0.960 214 T HN 0.504 nan 8.240 nan 0.000 0.448 215 A N 2.449 125.297 122.820 0.047 0.000 2.498 215 A HA 0.433 4.753 4.320 -0.000 0.000 0.239 215 A C 1.558 179.172 177.584 0.049 0.000 1.068 215 A CA 0.064 52.136 52.037 0.059 0.000 0.766 215 A CB -0.212 18.861 19.000 0.122 0.000 1.003 215 A HN 1.174 nan 8.150 nan 0.000 0.497 216 T N -1.099 113.478 114.554 0.037 0.000 3.081 216 T HA 0.531 4.880 4.350 -0.000 0.000 0.250 216 T C 0.531 175.247 174.700 0.027 0.000 1.100 216 T CA 0.802 62.917 62.100 0.027 0.000 1.038 216 T CB -0.265 68.614 68.868 0.018 0.000 0.962 216 T HN 1.844 nan 8.240 nan 0.000 0.516 217 A N -0.632 122.211 122.820 0.040 0.000 2.506 217 A HA 0.791 5.111 4.320 -0.000 0.000 0.305 217 A C 0.396 178.005 177.584 0.040 0.000 1.166 217 A CA -0.207 51.846 52.037 0.027 0.000 0.638 217 A CB 0.425 19.436 19.000 0.018 0.000 1.336 217 A HN 1.480 nan 8.150 nan 0.000 0.493 218 G N -0.620 108.182 108.800 0.002 0.000 2.693 218 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.226 218 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.226 218 G C 0.619 175.432 174.900 -0.145 0.000 1.354 218 G CA 1.025 46.103 45.100 -0.037 0.000 0.873 218 G HN 1.460 nan 8.290 nan 0.000 0.562 219 E N -0.799 119.177 120.200 -0.374 0.000 2.160 219 E HA -0.096 4.253 4.350 -0.000 0.000 0.195 219 E C 1.237 177.384 176.600 -0.755 0.000 0.991 219 E CA 1.842 57.782 56.400 -0.767 0.000 0.810 219 E CB -0.093 28.754 29.700 -1.423 0.000 0.742 219 E HN 0.542 nan 8.360 nan 0.000 0.466 220 W N 1.589 122.896 121.300 0.012 0.000 3.067 220 W HA 0.211 4.871 4.660 -0.000 0.000 0.417 220 W C 0.133 176.657 176.519 0.007 0.000 1.029 220 W CA -0.731 56.621 57.345 0.013 0.000 1.992 220 W CB -0.540 28.931 29.460 0.019 0.000 1.122 220 W HN 0.114 nan 8.180 nan 0.000 0.681 221 Q N 0.633 120.501 119.800 0.112 0.000 2.304 221 Q HA 0.219 4.559 4.340 -0.000 0.000 0.301 221 Q C 1.470 177.516 176.000 0.076 0.000 1.063 221 Q CA 2.173 58.023 55.803 0.078 0.000 0.947 221 Q CB 0.478 29.231 28.738 0.024 0.000 1.201 221 Q HN 0.462 nan 8.270 nan 0.000 0.389 222 G N 2.947 111.788 108.800 0.068 0.000 2.184 222 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.264 222 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.264 222 G C -0.356 174.584 174.900 0.068 0.000 0.975 222 G CA 0.658 45.791 45.100 0.055 0.000 0.642 222 G HN 0.719 nan 8.290 nan 0.000 0.536 223 K N 0.477 120.938 120.400 0.102 0.000 2.156 223 K HA 0.701 5.021 4.320 -0.000 0.000 0.250 223 K C 0.594 177.237 176.600 0.072 0.000 0.955 223 K CA -0.152 56.193 56.287 0.097 0.000 0.855 223 K CB 1.337 33.917 32.500 0.133 0.000 1.101 223 K HN 0.361 nan 8.250 nan 0.000 0.434 224 T N -0.901 113.684 114.554 0.051 0.000 2.802 224 T HA 0.101 4.451 4.350 -0.000 0.000 0.305 224 T C 1.396 176.110 174.700 0.025 0.000 1.053 224 T CA -0.608 61.513 62.100 0.036 0.000 1.058 224 T CB 0.242 69.133 68.868 0.039 0.000 0.988 224 T HN 0.601 nan 8.240 nan 0.000 0.539 225 L N -0.068 121.158 121.223 0.005 0.000 2.201 225 L HA 0.048 4.388 4.340 -0.000 0.000 0.212 225 L C 3.173 180.097 176.870 0.090 0.000 1.105 225 L CA 0.984 55.807 54.840 -0.027 0.000 0.775 225 L CB -0.616 41.328 42.059 -0.192 0.000 0.913 225 L HN 0.741 nan 8.230 nan 0.000 0.440 226 R N 0.769 121.363 120.500 0.156 0.000 2.083 226 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 226 R C 2.197 178.496 176.300 -0.002 0.000 1.137 226 R CA 1.817 57.970 56.100 0.089 0.000 0.951 226 R CB -0.058 30.267 30.300 0.041 0.000 0.851 226 R HN 0.450 nan 8.270 nan 0.000 0.434 227 E N 0.032 120.234 120.200 0.003 0.000 2.077 227 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 227 E C 2.057 178.623 176.600 -0.055 0.000 0.989 227 E CA 1.278 57.675 56.400 -0.004 0.000 0.800 227 E CB -0.200 29.518 29.700 0.030 0.000 0.746 227 E HN 0.485 nan 8.360 nan 0.000 0.452 228 Q N 1.200 120.929 119.800 -0.119 0.000 2.096 228 Q HA -0.199 4.140 4.340 -0.000 0.000 0.204 228 Q C 2.188 177.963 176.000 -0.375 0.000 0.982 228 Q CA 1.641 57.205 55.803 -0.399 0.000 0.850 228 Q CB -0.184 28.267 28.738 -0.479 0.000 0.901 228 Q HN 0.255 nan 8.270 nan 0.000 0.422 229 A N 0.428 123.127 122.820 -0.201 0.000 1.933 229 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 229 A C 1.964 179.570 177.584 0.037 0.000 1.175 229 A CA 1.568 53.536 52.037 -0.116 0.000 0.628 229 A CB -0.530 18.330 19.000 -0.234 0.000 0.814 229 A HN 0.566 nan 8.150 nan 0.000 0.444 230 Q N -0.870 118.919 119.800 -0.018 0.000 2.079 230 Q HA -0.052 4.287 4.340 -0.000 0.000 0.200 230 Q C 2.356 178.370 176.000 0.022 0.000 0.974 230 Q CA 1.303 57.113 55.803 0.013 0.000 0.840 230 Q CB -0.328 28.407 28.738 -0.004 0.000 0.898 230 Q HN 0.682 nan 8.270 nan 0.000 0.430 231 A N 0.897 123.716 122.820 -0.003 0.000 1.972 231 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 231 A C 1.737 179.354 177.584 0.056 0.000 1.169 231 A CA 1.261 53.325 52.037 0.046 0.000 0.635 231 A CB -0.292 18.750 19.000 0.071 0.000 0.810 231 A HN 0.243 nan 8.150 nan 0.000 0.446 232 R N -1.406 119.083 120.500 -0.019 0.000 2.310 232 R HA 0.244 4.583 4.340 -0.000 0.000 0.202 232 R C 1.086 177.386 176.300 0.000 0.000 0.933 232 R CA 0.502 56.610 56.100 0.012 0.000 1.054 232 R CB -0.018 30.245 30.300 -0.060 0.000 0.985 232 R HN 0.673 nan 8.270 nan 0.000 0.489 233 G N 0.266 109.075 108.800 0.015 0.000 2.131 233 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.223 233 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.223 233 G C -0.338 174.510 174.900 -0.086 0.000 0.990 233 G CA -0.507 44.569 45.100 -0.041 0.000 0.671 233 G HN 0.264 nan 8.290 nan 0.000 0.521 234 Y N 0.828 121.091 120.300 -0.062 0.000 2.309 234 Y HA 0.452 5.001 4.550 -0.000 0.000 0.327 234 Y C 1.274 177.130 175.900 -0.073 0.000 1.172 234 Y CA 0.104 58.163 58.100 -0.069 0.000 1.280 234 Y CB 0.775 39.182 38.460 -0.088 0.000 1.234 234 Y HN 0.222 nan 8.280 nan 0.000 0.512 235 Q N 3.387 123.230 119.800 0.072 0.000 2.307 235 Q HA 0.297 4.637 4.340 -0.000 0.000 0.259 235 Q C -1.253 174.743 176.000 -0.006 0.000 0.998 235 Q CA -0.287 55.526 55.803 0.016 0.000 0.923 235 Q CB 0.644 29.379 28.738 -0.005 0.000 1.196 235 Q HN 0.504 nan 8.270 nan 0.000 0.416 236 L N 3.873 125.068 121.223 -0.047 0.000 2.282 236 L HA 0.492 4.832 4.340 -0.000 0.000 0.288 236 L C -0.447 176.347 176.870 -0.126 0.000 1.033 236 L CA -0.669 54.096 54.840 -0.125 0.000 0.807 236 L CB 1.422 43.393 42.059 -0.146 0.000 1.209 236 L HN 0.380 nan 8.230 nan 0.000 0.423 237 V N 0.185 119.988 119.914 -0.185 0.000 2.876 237 V HA 0.791 4.911 4.120 -0.000 0.000 0.312 237 V C 0.043 175.939 176.094 -0.330 0.000 1.085 237 V CA -0.053 62.155 62.300 -0.153 0.000 0.945 237 V CB 2.041 33.842 31.823 -0.037 0.000 1.017 237 V HN 0.751 nan 8.190 nan 0.000 0.428 238 S N 0.016 115.618 115.700 -0.164 0.000 2.911 238 S HA 0.363 4.833 4.470 -0.000 0.000 0.261 238 S C -0.283 174.457 174.600 0.232 0.000 1.021 238 S CA 0.182 58.270 58.200 -0.186 0.000 1.222 238 S CB -0.363 62.749 63.200 -0.147 0.000 1.171 238 S HN 1.252 nan 8.310 nan 0.000 0.669 239 D N -0.020 120.581 120.400 0.335 0.000 2.570 239 D HA 0.716 5.356 4.640 -0.000 0.000 0.244 239 D C 0.913 177.336 176.300 0.206 0.000 1.178 239 D CA -0.369 53.796 54.000 0.274 0.000 0.881 239 D CB 1.045 41.914 40.800 0.116 0.000 1.453 239 D HN -0.021 nan 8.370 nan 0.000 0.447 240 A N 0.435 123.265 122.820 0.016 0.000 1.972 240 A HA 0.148 4.467 4.320 -0.000 0.000 0.219 240 A C 2.010 179.587 177.584 -0.011 0.000 1.169 240 A CA 2.288 54.284 52.037 -0.067 0.000 0.635 240 A CB -1.063 17.858 19.000 -0.132 0.000 0.810 240 A HN 0.732 nan 8.150 nan 0.000 0.446 241 A N -0.737 122.091 122.820 0.014 0.000 1.898 241 A HA 0.054 4.373 4.320 -0.000 0.000 0.214 241 A C 2.396 179.995 177.584 0.025 0.000 1.183 241 A CA 1.631 53.675 52.037 0.011 0.000 0.622 241 A CB -0.756 18.249 19.000 0.009 0.000 0.824 241 A HN 0.434 nan 8.150 nan 0.000 0.444 242 S N -0.045 115.683 115.700 0.047 0.000 2.374 242 S HA -0.197 4.273 4.470 -0.000 0.000 0.227 242 S C 1.879 176.513 174.600 0.057 0.000 1.037 242 S CA 1.655 59.883 58.200 0.046 0.000 1.024 242 S CB -0.501 62.732 63.200 0.055 0.000 0.861 242 S HN 0.517 nan 8.310 nan 0.000 0.456 243 L N 2.562 123.847 121.223 0.102 0.000 2.046 243 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 243 L C 1.674 178.563 176.870 0.031 0.000 1.077 243 L CA 1.687 56.587 54.840 0.100 0.000 0.747 243 L CB -0.801 41.345 42.059 0.146 0.000 0.896 243 L HN 0.107 nan 8.230 nan 0.000 0.432 244 N N -0.466 118.240 118.700 0.010 0.000 2.120 244 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 244 N C 1.860 177.367 175.510 -0.005 0.000 1.024 244 N CA 1.522 54.567 53.050 -0.009 0.000 0.852 244 N CB -0.471 38.007 38.487 -0.016 0.000 1.003 244 N HN 0.358 nan 8.380 nan 0.000 0.424 245 S N 0.362 116.063 115.700 0.002 0.000 2.440 245 S HA -0.043 4.426 4.470 -0.000 0.000 0.238 245 S C 0.857 175.455 174.600 -0.003 0.000 1.010 245 S CA 0.222 58.422 58.200 -0.000 0.000 0.972 245 S CB -0.116 63.086 63.200 0.003 0.000 0.774 245 S HN 0.063 nan 8.310 nan 0.000 0.501 246 V N 3.127 123.040 119.914 -0.001 0.000 2.540 246 V HA 0.047 4.167 4.120 -0.000 0.000 0.297 246 V C 1.596 177.681 176.094 -0.015 0.000 1.024 246 V CA 0.936 63.231 62.300 -0.007 0.000 1.105 246 V CB 0.701 32.521 31.823 -0.004 0.000 0.938 246 V HN 0.581 nan 8.190 nan 0.000 0.482 247 T N 0.962 115.506 114.554 -0.016 0.000 2.990 247 T HA 0.293 4.643 4.350 -0.000 0.000 0.250 247 T C 0.396 175.082 174.700 -0.023 0.000 1.041 247 T CA 0.045 62.134 62.100 -0.018 0.000 1.010 247 T CB 0.353 69.213 68.868 -0.013 0.000 1.003 247 T HN 0.642 nan 8.240 nan 0.000 0.499 248 E N -0.124 120.061 120.200 -0.025 0.000 2.383 248 E HA 0.684 5.034 4.350 -0.000 0.000 0.275 248 E C -1.864 174.715 176.600 -0.035 0.000 0.918 248 E CA -1.172 55.210 56.400 -0.030 0.000 0.764 248 E CB 2.501 32.187 29.700 -0.024 0.000 1.252 248 E HN 0.334 nan 8.360 nan 0.000 0.449 249 A N 2.647 125.442 122.820 -0.042 0.000 2.485 249 A HA 0.598 4.918 4.320 -0.000 0.000 0.285 249 A C -1.308 176.248 177.584 -0.046 0.000 1.045 249 A CA -0.784 51.225 52.037 -0.046 0.000 0.792 249 A CB 0.559 19.530 19.000 -0.048 0.000 1.307 249 A HN 0.672 nan 8.150 nan 0.000 0.406 250 N N 0.789 119.458 118.700 -0.052 0.000 3.364 250 N HA 0.303 5.043 4.740 -0.000 0.000 0.294 250 N C 0.313 175.783 175.510 -0.067 0.000 1.562 250 N CA -0.677 52.346 53.050 -0.045 0.000 0.862 250 N CB 0.273 38.741 38.487 -0.031 0.000 1.691 250 N HN 0.105 nan 8.380 nan 0.000 0.572 251 Q N -0.489 119.281 119.800 -0.050 0.000 2.234 251 Q HA -0.090 4.250 4.340 -0.000 0.000 0.206 251 Q C 1.086 177.031 176.000 -0.092 0.000 0.980 251 Q CA 1.886 57.651 55.803 -0.064 0.000 0.869 251 Q CB -0.340 28.379 28.738 -0.031 0.000 0.912 251 Q HN 0.663 nan 8.270 nan 0.000 0.436 252 Q N -0.165 119.590 119.800 -0.075 0.000 2.089 252 Q HA 0.031 4.370 4.340 -0.000 0.000 0.195 252 Q C 0.421 176.359 176.000 -0.104 0.000 0.963 252 Q CA 0.970 56.728 55.803 -0.075 0.000 0.834 252 Q CB 0.243 28.954 28.738 -0.045 0.000 0.906 252 Q HN -0.006 nan 8.270 nan 0.000 0.452 253 K N 1.340 121.681 120.400 -0.098 0.000 2.724 253 K HA 0.251 4.570 4.320 -0.000 0.000 0.198 253 K C -2.566 173.959 176.600 -0.125 0.000 1.099 253 K CA -1.886 54.339 56.287 -0.103 0.000 1.025 253 K CB 1.073 33.537 32.500 -0.060 0.000 1.509 253 K HN 0.096 nan 8.250 nan 0.000 0.564 254 P HA -0.065 nan 4.420 nan 0.000 0.269 254 P C -0.770 176.494 177.300 -0.060 0.000 1.209 254 P CA -0.464 62.510 63.100 -0.210 0.000 0.776 254 P CB 0.836 32.198 31.700 -0.563 0.000 0.876 255 L N 3.771 125.013 121.223 0.032 0.000 2.317 255 L HA 0.549 4.889 4.340 -0.000 0.000 0.281 255 L C -1.056 175.873 176.870 0.098 0.000 1.024 255 L CA -0.705 54.169 54.840 0.056 0.000 0.810 255 L CB 1.081 43.146 42.059 0.009 0.000 1.240 255 L HN 0.162 nan 8.230 nan 0.000 0.427 256 L N 4.938 126.181 121.223 0.033 0.000 2.427 256 L HA 0.742 5.082 4.340 -0.000 0.000 0.264 256 L C -0.184 176.529 176.870 -0.260 0.000 0.989 256 L CA -0.015 54.761 54.840 -0.108 0.000 0.865 256 L CB 1.334 43.269 42.059 -0.206 0.000 1.209 256 L HN 0.701 nan 8.230 nan 0.000 0.430 257 G N 5.586 114.202 108.800 -0.307 0.000 2.319 257 G HA2 0.572 4.532 3.960 -0.000 0.000 0.308 257 G HA3 0.572 4.532 3.960 -0.000 0.000 0.308 257 G C -1.017 173.334 174.900 -0.916 0.000 1.117 257 G CA -0.375 44.303 45.100 -0.702 0.000 0.903 257 G HN 0.500 nan 8.290 nan 0.000 0.436 258 L N 3.110 123.721 121.223 -1.020 0.000 2.366 258 L HA 0.340 4.680 4.340 -0.000 0.000 0.266 258 L C -0.229 176.300 176.870 -0.569 0.000 1.010 258 L CA -0.613 53.833 54.840 -0.656 0.000 0.879 258 L CB 1.056 42.794 42.059 -0.535 0.000 1.228 258 L HN 0.582 nan 8.230 nan 0.000 0.439 259 F N 1.363 121.267 119.950 -0.076 0.000 2.695 259 F HA 0.481 5.008 4.527 -0.000 0.000 0.303 259 F C 1.027 176.806 175.800 -0.035 0.000 1.091 259 F CA -0.347 57.622 58.000 -0.052 0.000 1.300 259 F CB 0.509 39.481 39.000 -0.047 0.000 1.071 259 F HN 0.394 nan 8.300 nan 0.000 0.578 260 A N -0.528 122.346 122.820 0.089 0.000 2.566 260 A HA 0.426 4.746 4.320 -0.000 0.000 0.297 260 A C -0.105 177.501 177.584 0.037 0.000 1.059 260 A CA -0.600 51.476 52.037 0.066 0.000 0.691 260 A CB 0.452 19.499 19.000 0.078 0.000 1.282 260 A HN -0.038 nan 8.150 nan 0.000 0.401 261 D N 0.977 121.399 120.400 0.036 0.000 2.149 261 D HA 0.064 4.704 4.640 -0.000 0.000 0.198 261 D C 1.439 177.775 176.300 0.060 0.000 0.990 261 D CA 2.851 56.875 54.000 0.040 0.000 0.839 261 D CB 0.257 41.079 40.800 0.037 0.000 0.948 261 D HN 0.735 nan 8.370 nan 0.000 0.460 262 G N -1.181 107.656 108.800 0.062 0.000 3.387 262 G HA2 0.170 4.130 3.960 -0.000 0.000 0.194 262 G HA3 0.170 4.130 3.960 -0.000 0.000 0.194 262 G C -0.072 174.871 174.900 0.071 0.000 1.417 262 G CA -0.431 44.715 45.100 0.076 0.000 0.777 262 G HN -0.002 nan 8.290 nan 0.000 0.721 263 N N 0.593 119.333 118.700 0.067 0.000 2.515 263 N HA 0.335 5.074 4.740 -0.000 0.000 0.279 263 N C 0.097 175.638 175.510 0.052 0.000 1.164 263 N CA -0.127 52.959 53.050 0.060 0.000 0.982 263 N CB 1.269 39.791 38.487 0.059 0.000 1.170 263 N HN 0.270 nan 8.380 nan 0.000 0.474 264 M N 1.395 121.024 119.600 0.048 0.000 2.245 264 M HA 0.177 4.657 4.480 -0.000 0.000 0.330 264 M C -1.885 174.429 176.300 0.022 0.000 1.098 264 M CA -1.122 54.201 55.300 0.039 0.000 1.172 264 M CB -0.156 32.463 32.600 0.032 0.000 1.467 264 M HN 0.214 nan 8.290 nan 0.000 0.454 265 P HA 0.083 nan 4.420 nan 0.000 0.268 265 P C -0.823 176.478 177.300 0.002 0.000 1.205 265 P CA -0.488 62.621 63.100 0.015 0.000 0.771 265 P CB 0.072 31.782 31.700 0.017 0.000 0.858 266 V N 1.573 121.491 119.914 0.008 0.000 2.775 266 V HA 0.235 4.355 4.120 -0.000 0.000 0.299 266 V C 1.673 177.775 176.094 0.013 0.000 1.062 266 V CA -0.333 61.964 62.300 -0.005 0.000 1.063 266 V CB 0.799 32.623 31.823 0.003 0.000 0.994 266 V HN 0.526 nan 8.190 nan 0.000 0.483 267 R N 2.127 122.610 120.500 -0.028 0.000 2.096 267 R HA -0.008 4.332 4.340 -0.000 0.000 0.235 267 R C -0.269 176.176 176.300 0.243 0.000 1.127 267 R CA 1.271 57.367 56.100 -0.008 0.000 0.968 267 R CB 0.144 30.304 30.300 -0.234 0.000 0.861 267 R HN 0.752 nan 8.270 nan 0.000 0.440 268 W N 0.202 121.496 121.300 -0.010 0.000 2.915 268 W HA 0.445 5.104 4.660 -0.001 0.000 0.337 268 W C -0.732 175.777 176.519 -0.016 0.000 1.102 268 W CA -1.030 56.310 57.345 -0.009 0.000 1.224 268 W CB 0.742 30.192 29.460 -0.016 0.000 1.416 268 W HN -0.128 nan 8.180 nan 0.000 0.503 269 L N 2.085 123.425 121.223 0.195 0.000 2.352 269 L HA 0.991 5.331 4.340 -0.000 0.000 0.269 269 L C 0.702 177.610 176.870 0.064 0.000 1.034 269 L CA -0.654 54.245 54.840 0.099 0.000 0.806 269 L CB 1.446 43.538 42.059 0.056 0.000 1.244 269 L HN 0.543 nan 8.230 nan 0.000 0.447 270 G N 1.073 109.898 108.800 0.043 0.000 2.489 270 G HA2 0.485 4.445 3.960 -0.000 0.000 0.291 270 G HA3 0.485 4.445 3.960 -0.000 0.000 0.291 270 G C -3.194 171.715 174.900 0.015 0.000 1.487 270 G CA -0.580 44.533 45.100 0.021 0.000 0.795 270 G HN 0.297 nan 8.290 nan 0.000 0.513 271 P HA 0.352 nan 4.420 nan 0.000 0.281 271 P C -0.391 176.909 177.300 -0.001 0.000 1.249 271 P CA -0.573 62.532 63.100 0.007 0.000 0.810 271 P CB 1.359 33.066 31.700 0.012 0.000 1.008 272 K N 1.439 121.833 120.400 -0.011 0.000 2.436 272 K HA 0.362 4.682 4.320 -0.000 0.000 0.275 272 K C 0.151 176.739 176.600 -0.019 0.000 0.999 272 K CA -0.452 55.814 56.287 -0.035 0.000 0.980 272 K CB 0.121 32.602 32.500 -0.032 0.000 0.919 272 K HN 0.546 nan 8.250 nan 0.000 0.484 273 A N 2.850 125.643 122.820 -0.044 0.000 2.429 273 A HA 0.313 4.632 4.320 -0.000 0.000 0.242 273 A C -0.051 177.558 177.584 0.042 0.000 1.088 273 A CA 0.350 52.402 52.037 0.025 0.000 0.784 273 A CB 0.095 19.140 19.000 0.075 0.000 1.038 273 A HN 0.912 nan 8.150 nan 0.000 0.501 274 T N -2.257 112.347 114.554 0.083 0.000 2.787 274 T HA 0.465 4.814 4.350 -0.000 0.000 0.297 274 T C -0.607 174.185 174.700 0.153 0.000 1.221 274 T CA -0.527 61.636 62.100 0.105 0.000 1.006 274 T CB 0.521 69.441 68.868 0.087 0.000 1.328 274 T HN 0.657 nan 8.240 nan 0.000 0.509 275 Y N 1.746 122.065 120.300 0.032 0.000 2.632 275 Y HA 0.107 4.657 4.550 -0.000 0.000 0.329 275 Y C 1.416 177.371 175.900 0.092 0.000 1.174 275 Y CA 0.870 58.974 58.100 0.007 0.000 1.469 275 Y CB -0.388 38.017 38.460 -0.092 0.000 1.242 275 Y HN 0.970 nan 8.280 nan 0.000 0.540 276 H N 2.193 120.940 119.070 -0.538 0.000 2.822 276 H HA -0.234 4.322 4.556 -0.000 0.000 0.295 276 H C 1.489 176.724 175.328 -0.154 0.000 1.151 276 H CA -0.029 55.773 56.048 -0.410 0.000 1.151 276 H CB -1.045 28.395 29.762 -0.537 0.000 1.343 276 H HN 1.026 nan 8.280 nan 0.000 0.382 277 G N 1.051 109.878 108.800 0.044 0.000 2.470 277 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.220 277 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.220 277 G C 1.540 176.458 174.900 0.030 0.000 1.121 277 G CA 0.878 46.007 45.100 0.049 0.000 0.766 277 G HN 0.672 nan 8.290 nan 0.000 0.553 278 N N 0.019 118.726 118.700 0.012 0.000 2.398 278 N HA 0.124 4.863 4.740 -0.000 0.000 0.188 278 N C 1.505 177.002 175.510 -0.022 0.000 1.122 278 N CA 0.221 53.272 53.050 0.002 0.000 0.866 278 N CB 0.254 38.741 38.487 0.000 0.000 0.970 278 N HN 0.405 nan 8.380 nan 0.000 0.462 279 I N 0.112 120.659 120.570 -0.039 0.000 3.673 279 I HA 0.036 4.205 4.170 -0.000 0.000 0.281 279 I C 0.842 176.945 176.117 -0.022 0.000 1.182 279 I CA 0.234 61.499 61.300 -0.058 0.000 1.391 279 I CB 0.322 38.238 38.000 -0.140 0.000 1.383 279 I HN -0.192 nan 8.210 nan 0.000 0.456 280 D N 1.353 121.753 120.400 0.001 0.000 2.349 280 D HA 0.066 4.706 4.640 -0.000 0.000 0.224 280 D C 0.283 176.597 176.300 0.024 0.000 1.029 280 D CA 0.764 54.778 54.000 0.023 0.000 0.879 280 D CB 0.291 41.123 40.800 0.053 0.000 0.906 280 D HN 0.165 nan 8.370 nan 0.000 0.528 281 K N 0.266 120.677 120.400 0.019 0.000 2.435 281 K HA 0.394 4.714 4.320 -0.000 0.000 0.251 281 K C -2.491 174.119 176.600 0.017 0.000 0.954 281 K CA -1.591 54.709 56.287 0.022 0.000 0.820 281 K CB 2.780 35.298 32.500 0.030 0.000 1.292 281 K HN -0.199 nan 8.250 nan 0.000 0.436 282 P HA 0.206 nan 4.420 nan 0.000 0.276 282 P C -1.121 176.192 177.300 0.022 0.000 1.252 282 P CA -0.602 62.507 63.100 0.016 0.000 0.802 282 P CB 0.866 32.574 31.700 0.013 0.000 1.035 283 A N 1.452 124.286 122.820 0.023 0.000 2.462 283 A HA 0.308 4.627 4.320 -0.000 0.000 0.243 283 A C 0.184 177.791 177.584 0.039 0.000 1.076 283 A CA -0.228 51.830 52.037 0.035 0.000 0.773 283 A CB -0.237 18.785 19.000 0.036 0.000 1.010 283 A HN 0.363 nan 8.150 nan 0.000 0.493 284 V N 2.008 121.954 119.914 0.052 0.000 2.539 284 V HA 0.483 4.603 4.120 -0.000 0.000 0.292 284 V C 0.427 176.567 176.094 0.077 0.000 1.045 284 V CA -0.194 62.134 62.300 0.047 0.000 0.945 284 V CB 1.771 33.617 31.823 0.037 0.000 0.993 284 V HN 0.924 nan 8.190 nan 0.000 0.464 285 T N 3.270 117.854 114.554 0.050 0.000 2.815 285 T HA 0.279 4.629 4.350 -0.000 0.000 0.289 285 T C -0.128 174.569 174.700 -0.005 0.000 1.000 285 T CA -0.313 61.828 62.100 0.068 0.000 0.958 285 T CB 0.605 69.484 68.868 0.018 0.000 0.944 285 T HN 0.776 nan 8.240 nan 0.000 0.442 286 c N 2.744 121.328 118.600 -0.027 0.000 2.665 286 c HA 0.489 5.058 4.570 -0.000 0.000 0.416 286 c C 1.292 175.184 174.090 -0.331 0.000 1.305 286 c CA -0.328 55.870 56.329 -0.219 0.000 1.903 286 c CB -0.344 41.914 42.510 -0.419 0.000 2.704 286 c HN 0.838 nan 8.230 nan 0.000 0.629 287 T N 3.176 117.564 114.554 -0.277 0.000 2.881 287 T HA 0.441 4.791 4.350 -0.000 0.000 0.290 287 T C -2.763 171.842 174.700 -0.158 0.000 1.000 287 T CA -1.052 60.910 62.100 -0.229 0.000 0.978 287 T CB 1.221 70.029 68.868 -0.101 0.000 0.997 287 T HN 0.381 nan 8.240 nan 0.000 0.443 288 P HA 0.034 nan 4.420 nan 0.000 0.263 288 P C -0.632 176.723 177.300 0.093 0.000 1.175 288 P CA -0.002 63.144 63.100 0.077 0.000 0.761 288 P CB 0.301 32.036 31.700 0.059 0.000 0.794 289 N N 4.939 123.730 118.700 0.152 0.000 2.411 289 N HA 0.100 4.840 4.740 -0.000 0.000 0.259 289 N C -1.660 173.890 175.510 0.066 0.000 1.103 289 N CA -2.227 50.881 53.050 0.096 0.000 0.954 289 N CB 0.255 38.803 38.487 0.100 0.000 1.085 289 N HN 0.144 nan 8.380 nan 0.000 0.485 290 P HA -0.140 nan 4.420 nan 0.000 0.218 290 P C 0.743 178.061 177.300 0.029 0.000 1.148 290 P CA 1.299 64.418 63.100 0.032 0.000 0.822 290 P CB 0.289 32.003 31.700 0.023 0.000 0.784 291 Q N -0.176 119.643 119.800 0.031 0.000 2.364 291 Q HA -0.114 4.226 4.340 -0.000 0.000 0.207 291 Q C 2.131 178.145 176.000 0.024 0.000 0.970 291 Q CA 0.753 56.572 55.803 0.026 0.000 0.888 291 Q CB -0.522 28.232 28.738 0.027 0.000 0.951 291 Q HN 0.492 nan 8.270 nan 0.000 0.469 292 R N 1.184 121.702 120.500 0.030 0.000 2.261 292 R HA -0.125 4.214 4.340 -0.000 0.000 0.236 292 R C 0.635 176.937 176.300 0.004 0.000 1.141 292 R CA 0.616 56.728 56.100 0.021 0.000 1.001 292 R CB -0.562 29.760 30.300 0.036 0.000 0.866 292 R HN 0.121 nan 8.270 nan 0.000 0.468 293 N N 0.072 118.776 118.700 0.007 0.000 5.854 293 N HA -0.207 4.533 4.740 -0.000 0.000 0.383 293 N C -0.494 175.009 175.510 -0.013 0.000 0.976 293 N CA 1.537 54.587 53.050 -0.000 0.000 2.370 293 N CB -0.298 38.190 38.487 0.001 0.000 0.631 293 N HN 0.332 nan 8.380 nan 0.000 0.668 294 D N -0.972 119.420 120.400 -0.013 0.000 2.423 294 D HA 0.112 4.752 4.640 -0.000 0.000 0.212 294 D C 1.475 177.759 176.300 -0.027 0.000 1.060 294 D CA 1.047 55.035 54.000 -0.020 0.000 0.872 294 D CB 0.041 40.835 40.800 -0.010 0.000 1.012 294 D HN 0.492 nan 8.370 nan 0.000 0.503 295 S N -0.645 115.045 115.700 -0.017 0.000 2.496 295 S HA 0.058 4.528 4.470 -0.000 0.000 0.224 295 S C 0.911 175.495 174.600 -0.027 0.000 0.996 295 S CA -0.166 58.030 58.200 -0.008 0.000 0.927 295 S CB 0.252 63.459 63.200 0.011 0.000 0.774 295 S HN -0.108 nan 8.310 nan 0.000 0.524 296 V N 5.010 124.891 119.914 -0.054 0.000 2.383 296 V HA 0.418 4.537 4.120 -0.000 0.000 0.275 296 V C -2.236 173.742 176.094 -0.193 0.000 1.036 296 V CA -2.186 60.047 62.300 -0.112 0.000 0.889 296 V CB 1.081 32.865 31.823 -0.065 0.000 0.985 296 V HN 0.256 nan 8.190 nan 0.000 0.459 297 P HA 0.264 nan 4.420 nan 0.000 0.278 297 P C -0.139 176.994 177.300 -0.277 0.000 1.238 297 P CA -0.067 62.821 63.100 -0.354 0.000 0.794 297 P CB 1.000 32.342 31.700 -0.597 0.000 0.955 298 T N -0.300 114.140 114.554 -0.190 0.000 2.862 298 T HA 0.172 4.521 4.350 -0.000 0.000 0.276 298 T C 1.282 175.892 174.700 -0.151 0.000 0.974 298 T CA -0.783 61.228 62.100 -0.147 0.000 0.966 298 T CB 0.373 69.177 68.868 -0.107 0.000 1.072 298 T HN 0.157 nan 8.240 nan 0.000 0.538 299 L N 1.037 122.184 121.223 -0.127 0.000 2.081 299 L HA 0.015 4.355 4.340 -0.000 0.000 0.212 299 L C 2.657 179.459 176.870 -0.113 0.000 1.080 299 L CA 2.344 57.115 54.840 -0.116 0.000 0.754 299 L CB -1.446 40.546 42.059 -0.112 0.000 0.893 299 L HN 0.925 nan 8.230 nan 0.000 0.433 300 A N -1.532 121.223 122.820 -0.109 0.000 1.930 300 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 300 A C 2.161 179.688 177.584 -0.096 0.000 1.175 300 A CA 1.488 53.468 52.037 -0.096 0.000 0.627 300 A CB -0.424 18.527 19.000 -0.082 0.000 0.815 300 A HN 0.630 nan 8.150 nan 0.000 0.443 301 Q N -0.579 119.156 119.800 -0.108 0.000 2.020 301 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 301 Q C 2.265 178.191 176.000 -0.124 0.000 0.982 301 Q CA 1.879 57.613 55.803 -0.114 0.000 0.838 301 Q CB -0.371 28.286 28.738 -0.135 0.000 0.899 301 Q HN 0.771 nan 8.270 nan 0.000 0.423 302 M N -0.060 119.455 119.600 -0.142 0.000 2.117 302 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 302 M C 2.179 178.414 176.300 -0.107 0.000 1.065 302 M CA 1.431 56.660 55.300 -0.118 0.000 1.114 302 M CB -0.800 31.738 32.600 -0.103 0.000 1.361 302 M HN 0.099 nan 8.290 nan 0.000 0.408 303 T N 0.468 114.956 114.554 -0.110 0.000 2.720 303 T HA -0.168 4.181 4.350 -0.000 0.000 0.268 303 T C 1.433 176.050 174.700 -0.137 0.000 1.037 303 T CA 1.804 63.832 62.100 -0.120 0.000 1.144 303 T CB -0.393 68.412 68.868 -0.105 0.000 0.864 303 T HN 0.330 nan 8.240 nan 0.000 0.444 304 D N 0.395 120.726 120.400 -0.115 0.000 2.097 304 D HA -0.029 4.611 4.640 -0.000 0.000 0.197 304 D C 2.217 178.438 176.300 -0.131 0.000 0.984 304 D CA 0.956 54.889 54.000 -0.112 0.000 0.826 304 D CB -0.181 40.573 40.800 -0.077 0.000 0.973 304 D HN 0.152 nan 8.370 nan 0.000 0.460 305 K N 0.685 121.016 120.400 -0.115 0.000 2.097 305 K HA 0.002 4.322 4.320 -0.000 0.000 0.206 305 K C 1.762 178.274 176.600 -0.147 0.000 1.049 305 K CA 1.365 57.587 56.287 -0.108 0.000 0.933 305 K CB -0.479 31.975 32.500 -0.076 0.000 0.717 305 K HN 0.037 nan 8.250 nan 0.000 0.442 306 A N 0.332 123.051 122.820 -0.169 0.000 1.898 306 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 306 A C 2.212 179.565 177.584 -0.384 0.000 1.181 306 A CA 1.588 53.489 52.037 -0.228 0.000 0.620 306 A CB -0.599 18.288 19.000 -0.190 0.000 0.819 306 A HN 0.322 nan 8.150 nan 0.000 0.442 307 I N -0.366 119.954 120.570 -0.415 0.000 2.315 307 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 307 I C 2.481 178.274 176.117 -0.540 0.000 1.117 307 I CA 1.607 62.509 61.300 -0.664 0.000 1.404 307 I CB -0.209 37.396 38.000 -0.658 0.000 1.071 307 I HN 0.564 nan 8.210 nan 0.000 0.419 308 E N 1.519 121.532 120.200 -0.312 0.000 2.023 308 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 308 E C 2.321 178.810 176.600 -0.186 0.000 1.003 308 E CA 1.549 57.837 56.400 -0.186 0.000 0.809 308 E CB -0.118 29.514 29.700 -0.113 0.000 0.755 308 E HN 0.456 nan 8.360 nan 0.000 0.449 309 L N 0.548 121.652 121.223 -0.198 0.000 2.017 309 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 309 L C 2.748 179.493 176.870 -0.208 0.000 1.073 309 L CA 0.925 55.667 54.840 -0.163 0.000 0.745 309 L CB -0.456 41.524 42.059 -0.133 0.000 0.894 309 L HN 0.250 nan 8.230 nan 0.000 0.432 310 L N -0.225 120.771 121.223 -0.378 0.000 2.156 310 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 310 L C 2.872 179.518 176.870 -0.373 0.000 1.095 310 L CA 1.234 55.785 54.840 -0.482 0.000 0.770 310 L CB -0.552 40.917 42.059 -0.983 0.000 0.914 310 L HN 0.392 nan 8.230 nan 0.000 0.439 311 S N -0.347 115.124 115.700 -0.382 0.000 2.442 311 S HA -0.202 4.268 4.470 -0.000 0.000 0.236 311 S C 1.863 176.519 174.600 0.093 0.000 1.007 311 S CA 0.911 59.111 58.200 -0.000 0.000 0.965 311 S CB -0.252 62.961 63.200 0.021 0.000 0.773 311 S HN 0.299 nan 8.310 nan 0.000 0.504 312 K N 1.861 122.267 120.400 0.010 0.000 2.209 312 K HA 0.072 4.392 4.320 -0.000 0.000 0.204 312 K C 0.914 177.549 176.600 0.059 0.000 1.048 312 K CA 0.552 56.858 56.287 0.032 0.000 0.940 312 K CB -0.322 32.177 32.500 -0.002 0.000 0.729 312 K HN 0.386 nan 8.250 nan 0.000 0.451 313 N N 1.630 120.376 118.700 0.078 0.000 2.438 313 N HA -0.087 4.652 4.740 -0.000 0.000 0.267 313 N C 0.424 176.003 175.510 0.116 0.000 1.222 313 N CA 0.282 53.390 53.050 0.097 0.000 0.930 313 N CB 0.748 39.305 38.487 0.117 0.000 1.083 313 N HN 0.068 nan 8.380 nan 0.000 0.476 314 E N 4.173 124.422 120.200 0.081 0.000 2.021 314 E HA -0.225 4.125 4.350 -0.000 0.000 0.200 314 E C 1.267 177.911 176.600 0.073 0.000 1.015 314 E CA 1.682 58.124 56.400 0.071 0.000 0.824 314 E CB -0.055 29.674 29.700 0.049 0.000 0.762 314 E HN 0.600 nan 8.360 nan 0.000 0.454 315 K N -0.522 119.918 120.400 0.066 0.000 2.103 315 K HA -0.058 4.262 4.320 -0.000 0.000 0.207 315 K C 1.023 177.660 176.600 0.063 0.000 1.048 315 K CA 1.122 57.442 56.287 0.055 0.000 0.930 315 K CB -0.021 32.508 32.500 0.049 0.000 0.716 315 K HN 0.304 nan 8.250 nan 0.000 0.444 316 G N -0.991 107.874 108.800 0.109 0.000 2.334 316 G HA2 0.197 4.157 3.960 -0.000 0.000 0.315 316 G HA3 0.197 4.157 3.960 -0.000 0.000 0.315 316 G C -1.573 173.456 174.900 0.214 0.000 1.284 316 G CA -0.593 44.576 45.100 0.116 0.000 0.985 316 G HN 0.207 nan 8.290 nan 0.000 0.504 317 F N -1.976 118.019 119.950 0.074 0.000 2.668 317 F HA 0.856 5.383 4.527 -0.000 0.000 0.309 317 F C -1.419 174.455 175.800 0.123 0.000 1.117 317 F CA -2.022 56.025 58.000 0.078 0.000 0.951 317 F CB 1.692 40.705 39.000 0.023 0.000 1.323 317 F HN 0.852 nan 8.300 nan 0.000 0.451 318 F N 4.239 124.316 119.950 0.211 0.000 2.477 318 F HA 0.792 5.319 4.527 -0.000 0.000 0.335 318 F C -2.047 173.899 175.800 0.245 0.000 1.130 318 F CA -1.150 56.924 58.000 0.124 0.000 0.948 318 F CB 1.619 40.662 39.000 0.072 0.000 1.154 318 F HN 0.734 nan 8.300 nan 0.000 0.439 319 L N 6.128 126.970 121.223 -0.636 0.000 2.410 319 L HA 0.488 4.827 4.340 -0.000 0.000 0.270 319 L C -1.495 174.954 176.870 -0.700 0.000 0.983 319 L CA -0.350 54.208 54.840 -0.470 0.000 0.822 319 L CB 2.072 44.100 42.059 -0.052 0.000 1.285 319 L HN 0.760 nan 8.230 nan 0.000 0.409 320 Q N 3.356 122.854 119.800 -0.504 0.000 2.293 320 Q HA 0.752 5.091 4.340 -0.000 0.000 0.261 320 Q C -1.842 174.086 176.000 -0.121 0.000 0.960 320 Q CA -0.701 54.948 55.803 -0.256 0.000 0.882 320 Q CB 1.875 30.605 28.738 -0.013 0.000 1.275 320 Q HN 0.661 nan 8.270 nan 0.000 0.445 321 V N 3.760 123.610 119.914 -0.107 0.000 2.588 321 V HA 0.379 4.499 4.120 -0.000 0.000 0.304 321 V C -0.837 175.219 176.094 -0.062 0.000 1.042 321 V CA -0.712 61.540 62.300 -0.080 0.000 0.877 321 V CB 1.809 33.572 31.823 -0.100 0.000 0.996 321 V HN 0.811 nan 8.190 nan 0.000 0.425 322 E N 3.078 123.258 120.200 -0.034 0.000 2.155 322 E HA 0.520 4.869 4.350 -0.000 0.000 0.264 322 E C 0.053 176.628 176.600 -0.040 0.000 0.886 322 E CA -0.598 55.788 56.400 -0.023 0.000 0.752 322 E CB 1.783 31.504 29.700 0.035 0.000 1.133 322 E HN 0.864 nan 8.360 nan 0.000 0.414 323 G N 3.318 112.077 108.800 -0.069 0.000 2.639 323 G HA2 0.329 4.289 3.960 -0.000 0.000 0.312 323 G HA3 0.329 4.289 3.960 -0.000 0.000 0.312 323 G C 0.719 175.590 174.900 -0.049 0.000 0.911 323 G CA 0.279 45.332 45.100 -0.079 0.000 1.410 323 G HN 0.586 nan 8.290 nan 0.000 0.469 324 A N 2.274 125.084 122.820 -0.017 0.000 1.930 324 A HA 0.010 4.329 4.320 -0.000 0.000 0.217 324 A C 2.519 180.119 177.584 0.026 0.000 1.175 324 A CA 1.811 53.859 52.037 0.020 0.000 0.627 324 A CB -0.155 18.871 19.000 0.043 0.000 0.815 324 A HN 0.516 nan 8.150 nan 0.000 0.443 325 S N -0.023 115.676 115.700 -0.001 0.000 2.515 325 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 325 S C 1.608 176.199 174.600 -0.016 0.000 0.987 325 S CA 0.853 59.054 58.200 0.002 0.000 0.936 325 S CB -0.485 62.716 63.200 0.000 0.000 0.766 325 S HN 0.550 nan 8.310 nan 0.000 0.528 326 I N 2.086 122.630 120.570 -0.044 0.000 2.127 326 I HA -0.257 3.912 4.170 -0.000 0.000 0.241 326 I C 2.623 178.697 176.117 -0.071 0.000 1.075 326 I CA 1.657 62.915 61.300 -0.070 0.000 1.334 326 I CB -0.409 37.538 38.000 -0.088 0.000 1.040 326 I HN 0.356 nan 8.210 nan 0.000 0.405 327 D N 1.436 121.833 120.400 -0.004 0.000 2.097 327 D HA -0.211 4.429 4.640 -0.000 0.000 0.195 327 D C 2.058 178.421 176.300 0.104 0.000 0.989 327 D CA 1.525 55.562 54.000 0.062 0.000 0.827 327 D CB 0.080 41.050 40.800 0.283 0.000 0.966 327 D HN 0.333 nan 8.370 nan 0.000 0.456 328 K N -0.167 120.349 120.400 0.194 0.000 2.063 328 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 328 K C 2.350 179.027 176.600 0.128 0.000 1.048 328 K CA 1.020 57.449 56.287 0.236 0.000 0.928 328 K CB -0.061 32.529 32.500 0.151 0.000 0.713 328 K HN 0.217 nan 8.250 nan 0.000 0.442 329 Q N 0.625 120.439 119.800 0.024 0.000 2.311 329 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 329 Q C 1.529 177.479 176.000 -0.084 0.000 0.954 329 Q CA 0.901 56.691 55.803 -0.022 0.000 0.885 329 Q CB 0.023 28.744 28.738 -0.028 0.000 0.963 329 Q HN 0.346 nan 8.270 nan 0.000 0.471 330 D N 0.007 120.305 120.400 -0.169 0.000 2.123 330 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 330 D C 1.642 177.810 176.300 -0.221 0.000 0.976 330 D CA 0.767 54.596 54.000 -0.284 0.000 0.831 330 D CB 0.278 40.541 40.800 -0.895 0.000 0.974 330 D HN 0.296 nan 8.370 nan 0.000 0.469 331 H N 0.161 119.210 119.070 -0.035 0.000 2.387 331 H HA -0.017 4.539 4.556 -0.000 0.000 0.299 331 H C 1.799 177.130 175.328 0.004 0.000 1.090 331 H CA 1.296 57.431 56.048 0.146 0.000 1.332 331 H CB -0.052 29.818 29.762 0.179 0.000 1.386 331 H HN 0.133 nan 8.280 nan 0.000 0.516 332 A N 0.388 123.241 122.820 0.056 0.000 2.168 332 A HA 0.313 4.633 4.320 -0.000 0.000 0.215 332 A C 1.631 179.091 177.584 -0.206 0.000 1.152 332 A CA 1.005 53.017 52.037 -0.042 0.000 0.716 332 A CB -0.269 18.718 19.000 -0.021 0.000 0.794 332 A HN 0.460 nan 8.150 nan 0.000 0.465 333 A N -0.634 121.910 122.820 -0.461 0.000 2.930 333 A HA -0.171 4.149 4.320 -0.000 0.000 0.273 333 A C 0.186 177.408 177.584 -0.603 0.000 1.435 333 A CA 0.788 52.203 52.037 -1.036 0.000 0.780 333 A CB -2.445 16.169 19.000 -0.642 0.000 1.034 333 A HN 0.594 nan 8.150 nan 0.000 0.562 334 N N -0.412 118.086 118.700 -0.336 0.000 2.706 334 N HA 0.417 5.157 4.740 -0.000 0.000 0.240 334 N C -1.809 173.684 175.510 -0.028 0.000 1.039 334 N CA -1.681 51.292 53.050 -0.128 0.000 0.888 334 N CB 1.207 39.652 38.487 -0.069 0.000 1.128 334 N HN 0.085 nan 8.380 nan 0.000 0.512 335 P HA -0.057 nan 4.420 nan 0.000 0.215 335 P C 1.299 178.616 177.300 0.028 0.000 1.153 335 P CA 0.945 64.104 63.100 0.097 0.000 0.853 335 P CB 0.387 32.156 31.700 0.114 0.000 0.788 336 c N -1.000 117.613 118.600 0.023 0.000 2.446 336 c HA -0.000 4.570 4.570 -0.000 0.000 0.277 336 c C 2.983 177.158 174.090 0.141 0.000 1.275 336 c CA 1.503 57.888 56.329 0.093 0.000 1.727 336 c CB -1.965 40.595 42.510 0.084 0.000 2.010 336 c HN 0.295 nan 8.230 nan 0.000 0.486 337 G N -0.692 108.147 108.800 0.065 0.000 2.421 337 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.216 337 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.216 337 G C 1.554 176.429 174.900 -0.041 0.000 1.171 337 G CA 0.950 46.063 45.100 0.022 0.000 0.775 337 G HN 0.654 nan 8.290 nan 0.000 0.543 338 Q N -0.187 119.596 119.800 -0.029 0.000 2.030 338 Q HA -0.102 4.237 4.340 -0.000 0.000 0.204 338 Q C 2.622 178.569 176.000 -0.088 0.000 0.986 338 Q CA 1.472 57.245 55.803 -0.049 0.000 0.843 338 Q CB -0.217 28.523 28.738 0.004 0.000 0.904 338 Q HN 0.558 nan 8.270 nan 0.000 0.420 339 I N 0.077 120.608 120.570 -0.065 0.000 2.252 339 I HA -0.187 3.982 4.170 -0.000 0.000 0.245 339 I C 2.361 178.260 176.117 -0.363 0.000 1.102 339 I CA 1.057 62.299 61.300 -0.096 0.000 1.385 339 I CB -0.604 37.403 38.000 0.012 0.000 1.064 339 I HN 0.366 nan 8.210 nan 0.000 0.414 340 G N 0.501 108.967 108.800 -0.557 0.000 2.440 340 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.218 340 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.218 340 G C 1.511 175.999 174.900 -0.686 0.000 1.154 340 G CA 0.655 45.034 45.100 -1.201 0.000 0.767 340 G HN 0.296 nan 8.290 nan 0.000 0.552 341 E N 0.412 120.385 120.200 -0.379 0.000 2.204 341 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 341 E C 2.641 179.081 176.600 -0.267 0.000 0.989 341 E CA 1.151 57.391 56.400 -0.266 0.000 0.824 341 E CB -0.550 29.052 29.700 -0.164 0.000 0.756 341 E HN 0.392 nan 8.360 nan 0.000 0.477 342 T N 0.626 115.013 114.554 -0.278 0.000 2.942 342 T HA -0.015 4.335 4.350 -0.000 0.000 0.265 342 T C 2.137 176.602 174.700 -0.391 0.000 1.062 342 T CA 0.505 62.432 62.100 -0.288 0.000 1.139 342 T CB 0.016 68.759 68.868 -0.209 0.000 0.883 342 T HN -0.033 nan 8.240 nan 0.000 0.468 343 V N 1.842 121.531 119.914 -0.375 0.000 2.358 343 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 343 V C 2.388 178.305 176.094 -0.295 0.000 1.047 343 V CA 1.740 63.849 62.300 -0.318 0.000 1.035 343 V CB -0.561 31.067 31.823 -0.325 0.000 0.658 343 V HN 0.409 nan 8.190 nan 0.000 0.452 344 D N -0.217 119.997 120.400 -0.309 0.000 2.123 344 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 344 D C 1.955 178.128 176.300 -0.213 0.000 0.992 344 D CA 1.251 55.111 54.000 -0.232 0.000 0.833 344 D CB -0.142 40.523 40.800 -0.226 0.000 0.954 344 D HN 0.293 nan 8.370 nan 0.000 0.455 345 L N 0.423 121.498 121.223 -0.247 0.000 2.046 345 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 345 L C 1.740 178.454 176.870 -0.259 0.000 1.077 345 L CA 1.925 56.623 54.840 -0.237 0.000 0.747 345 L CB -0.662 41.254 42.059 -0.239 0.000 0.896 345 L HN 0.027 nan 8.230 nan 0.000 0.432 346 D N -0.781 119.407 120.400 -0.352 0.000 2.123 346 D HA -0.253 4.387 4.640 -0.000 0.000 0.196 346 D C 2.032 178.211 176.300 -0.201 0.000 0.992 346 D CA 1.636 55.425 54.000 -0.351 0.000 0.833 346 D CB 0.012 40.520 40.800 -0.486 0.000 0.954 346 D HN 0.502 nan 8.370 nan 0.000 0.455 347 E N -0.557 119.544 120.200 -0.164 0.000 2.110 347 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 347 E C 2.089 178.627 176.600 -0.103 0.000 0.988 347 E CA 0.909 57.245 56.400 -0.106 0.000 0.804 347 E CB -0.137 29.508 29.700 -0.091 0.000 0.745 347 E HN 0.389 nan 8.360 nan 0.000 0.458 348 A N 0.593 123.339 122.820 -0.123 0.000 1.898 348 A HA -0.129 4.190 4.320 -0.000 0.000 0.216 348 A C 2.438 179.962 177.584 -0.100 0.000 1.181 348 A CA 1.028 52.999 52.037 -0.109 0.000 0.620 348 A CB -0.531 18.398 19.000 -0.120 0.000 0.819 348 A HN 0.120 nan 8.150 nan 0.000 0.442 349 V N 0.049 119.890 119.914 -0.121 0.000 2.343 349 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 349 V C 2.624 178.667 176.094 -0.085 0.000 1.051 349 V CA 2.287 64.521 62.300 -0.110 0.000 1.036 349 V CB -1.032 30.704 31.823 -0.145 0.000 0.654 349 V HN 0.634 nan 8.190 nan 0.000 0.451 350 Q N -0.585 119.162 119.800 -0.087 0.000 2.096 350 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 350 Q C 2.589 178.569 176.000 -0.033 0.000 0.982 350 Q CA 1.385 57.150 55.803 -0.062 0.000 0.850 350 Q CB -0.217 28.489 28.738 -0.053 0.000 0.901 350 Q HN 0.485 nan 8.270 nan 0.000 0.422 351 R N 0.249 120.731 120.500 -0.031 0.000 2.073 351 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 351 R C 2.165 178.489 176.300 0.039 0.000 1.134 351 R CA 1.429 57.526 56.100 -0.004 0.000 0.952 351 R CB -1.070 29.212 30.300 -0.031 0.000 0.850 351 R HN 0.293 nan 8.270 nan 0.000 0.433 352 A N 1.051 123.881 122.820 0.017 0.000 1.902 352 A HA -0.105 4.214 4.320 -0.000 0.000 0.217 352 A C 2.437 180.092 177.584 0.119 0.000 1.181 352 A CA 1.144 53.223 52.037 0.071 0.000 0.623 352 A CB -0.571 18.444 19.000 0.025 0.000 0.818 352 A HN 0.203 nan 8.150 nan 0.000 0.443 353 L N -1.049 120.189 121.223 0.025 0.000 2.056 353 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 353 L C 2.623 179.478 176.870 -0.025 0.000 1.078 353 L CA 1.532 56.345 54.840 -0.046 0.000 0.749 353 L CB -0.449 41.524 42.059 -0.143 0.000 0.901 353 L HN 0.474 nan 8.230 nan 0.000 0.433 354 E N -0.426 119.783 120.200 0.015 0.000 2.038 354 E HA -0.298 4.052 4.350 -0.000 0.000 0.195 354 E C 1.937 178.582 176.600 0.076 0.000 1.000 354 E CA 1.853 58.270 56.400 0.028 0.000 0.803 354 E CB -0.219 29.505 29.700 0.041 0.000 0.750 354 E HN 0.373 nan 8.360 nan 0.000 0.448 355 F N 1.170 121.128 119.950 0.013 0.000 2.095 355 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 355 F C 2.116 177.959 175.800 0.071 0.000 1.104 355 F CA 1.566 59.593 58.000 0.046 0.000 1.232 355 F CB -0.384 38.656 39.000 0.067 0.000 0.987 355 F HN -0.022 nan 8.300 nan 0.000 0.475 356 A N 0.156 123.050 122.820 0.124 0.000 1.933 356 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 356 A C 2.307 179.938 177.584 0.077 0.000 1.175 356 A CA 1.800 53.897 52.037 0.100 0.000 0.628 356 A CB -0.797 18.385 19.000 0.304 0.000 0.814 356 A HN 0.473 nan 8.150 nan 0.000 0.444 357 K N -0.434 119.992 120.400 0.044 0.000 2.026 357 K HA -0.164 4.155 4.320 -0.000 0.000 0.208 357 K C 2.219 178.812 176.600 -0.013 0.000 1.048 357 K CA 1.767 58.084 56.287 0.050 0.000 0.929 357 K CB -0.155 32.319 32.500 -0.044 0.000 0.713 357 K HN 0.461 nan 8.250 nan 0.000 0.439 358 K N 0.720 121.059 120.400 -0.102 0.000 1.973 358 K HA -0.184 4.136 4.320 -0.000 0.000 0.212 358 K C 2.146 178.623 176.600 -0.204 0.000 1.047 358 K CA 1.455 57.655 56.287 -0.145 0.000 0.937 358 K CB -0.085 32.312 32.500 -0.172 0.000 0.721 358 K HN 0.067 nan 8.250 nan 0.000 0.440 359 E N -0.340 119.617 120.200 -0.404 0.000 2.070 359 E HA -0.215 4.134 4.350 -0.000 0.000 0.197 359 E C 1.324 177.820 176.600 -0.174 0.000 1.004 359 E CA 1.776 57.951 56.400 -0.375 0.000 0.805 359 E CB -0.104 29.200 29.700 -0.659 0.000 0.744 359 E HN 0.631 nan 8.360 nan 0.000 0.451 360 G N 0.476 109.206 108.800 -0.117 0.000 2.267 360 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.257 360 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.257 360 G C 0.623 175.481 174.900 -0.070 0.000 0.998 360 G CA 0.512 45.575 45.100 -0.062 0.000 0.620 360 G HN 0.378 nan 8.290 nan 0.000 0.529 361 N N 0.897 119.554 118.700 -0.071 0.000 2.416 361 N HA 0.190 4.929 4.740 -0.000 0.000 0.267 361 N C -0.555 174.923 175.510 -0.053 0.000 1.294 361 N CA 0.226 53.242 53.050 -0.056 0.000 0.891 361 N CB 1.154 39.617 38.487 -0.041 0.000 1.238 361 N HN 0.295 nan 8.380 nan 0.000 0.508 362 T N 1.490 116.020 114.554 -0.040 0.000 2.823 362 T HA 0.355 4.705 4.350 -0.000 0.000 0.279 362 T C -0.397 174.301 174.700 -0.004 0.000 0.998 362 T CA -0.450 61.648 62.100 -0.003 0.000 0.994 362 T CB 2.033 70.969 68.868 0.113 0.000 0.960 362 T HN 0.032 nan 8.240 nan 0.000 0.448 363 L N 4.964 126.176 121.223 -0.018 0.000 2.282 363 L HA 0.679 5.019 4.340 -0.000 0.000 0.288 363 L C -0.990 175.901 176.870 0.035 0.000 1.033 363 L CA -0.413 54.423 54.840 -0.007 0.000 0.807 363 L CB 0.950 42.999 42.059 -0.016 0.000 1.209 363 L HN 0.422 nan 8.230 nan 0.000 0.423 364 V N 6.819 126.784 119.914 0.084 0.000 2.417 364 V HA 0.508 4.628 4.120 -0.000 0.000 0.291 364 V C 0.009 176.124 176.094 0.035 0.000 1.024 364 V CA -0.398 61.952 62.300 0.084 0.000 0.861 364 V CB 1.339 33.253 31.823 0.151 0.000 0.985 364 V HN 0.635 nan 8.190 nan 0.000 0.436 365 I N 4.828 125.384 120.570 -0.024 0.000 2.465 365 I HA 0.587 4.757 4.170 -0.000 0.000 0.291 365 I C -0.732 175.315 176.117 -0.117 0.000 1.014 365 I CA -0.829 60.428 61.300 -0.071 0.000 1.093 365 I CB 2.203 40.148 38.000 -0.092 0.000 1.267 365 I HN 0.276 nan 8.210 nan 0.000 0.431 366 V N 4.816 124.652 119.914 -0.131 0.000 2.443 366 V HA 0.659 4.779 4.120 -0.000 0.000 0.293 366 V C -0.148 175.824 176.094 -0.205 0.000 1.021 366 V CA -0.188 62.016 62.300 -0.160 0.000 0.848 366 V CB 1.491 33.236 31.823 -0.130 0.000 0.998 366 V HN 0.905 nan 8.190 nan 0.000 0.424 367 T N 2.765 117.170 114.554 -0.248 0.000 2.626 367 T HA 0.874 5.223 4.350 -0.000 0.000 0.299 367 T C -1.340 173.227 174.700 -0.222 0.000 1.181 367 T CA 0.365 62.302 62.100 -0.272 0.000 1.053 367 T CB 1.971 70.577 68.868 -0.436 0.000 1.566 367 T HN 1.030 nan 8.240 nan 0.000 0.486 368 A N 0.338 123.071 122.820 -0.146 0.000 2.527 368 A HA 0.667 4.987 4.320 -0.000 0.000 0.293 368 A C 0.387 177.949 177.584 -0.037 0.000 1.117 368 A CA -0.010 51.948 52.037 -0.131 0.000 0.723 368 A CB 1.202 20.124 19.000 -0.130 0.000 1.313 368 A HN 0.849 nan 8.150 nan 0.000 0.411 369 D N -0.359 119.972 120.400 -0.114 0.000 2.162 369 D HA 0.089 4.728 4.640 -0.000 0.000 0.203 369 D C 0.577 176.731 176.300 -0.244 0.000 0.967 369 D CA 2.119 56.153 54.000 0.056 0.000 0.840 369 D CB -0.324 40.564 40.800 0.147 0.000 0.972 369 D HN 0.816 nan 8.370 nan 0.000 0.482 370 H N -2.069 116.803 119.070 -0.329 0.000 2.917 370 H HA 0.742 5.297 4.556 -0.001 0.000 0.269 370 H C -1.237 173.886 175.328 -0.342 0.000 1.488 370 H CA -0.858 54.750 56.048 -0.733 0.000 1.173 370 H CB 0.700 30.126 29.762 -0.559 0.000 1.868 370 H HN 0.089 nan 8.280 nan 0.000 0.600 371 A N -0.248 122.598 122.820 0.044 0.000 2.248 371 A HA 0.644 4.964 4.320 -0.000 0.000 0.316 371 A C -0.659 177.035 177.584 0.184 0.000 1.101 371 A CA -0.257 51.869 52.037 0.149 0.000 0.875 371 A CB 0.731 19.846 19.000 0.193 0.000 1.207 371 A HN 0.760 nan 8.150 nan 0.000 0.504 372 H N -2.462 116.676 119.070 0.114 0.000 3.038 372 H HA 0.603 5.159 4.556 -0.001 0.000 0.289 372 H C 1.083 176.458 175.328 0.079 0.000 1.510 372 H CA 0.169 56.276 56.048 0.099 0.000 1.227 372 H CB 1.726 31.518 29.762 0.051 0.000 1.880 372 H HN 0.642 nan 8.280 nan 0.000 0.594 373 A N 0.409 123.497 122.820 0.447 0.000 1.873 373 A HA -0.059 4.260 4.320 -0.000 0.000 0.215 373 A C 0.866 178.469 177.584 0.032 0.000 1.186 373 A CA 1.155 53.347 52.037 0.259 0.000 0.616 373 A CB -0.972 18.263 19.000 0.392 0.000 0.823 373 A HN 0.638 nan 8.150 nan 0.000 0.442 374 S N 0.296 115.928 115.700 -0.113 0.000 2.931 374 S HA 0.073 4.543 4.470 -0.000 0.000 0.342 374 S C -0.240 174.225 174.600 -0.224 0.000 1.220 374 S CA 0.295 58.262 58.200 -0.389 0.000 1.045 374 S CB -0.140 62.811 63.200 -0.415 0.000 0.758 374 S HN 0.547 nan 8.310 nan 0.000 0.508 375 Q N 2.168 121.801 119.800 -0.278 0.000 2.372 375 Q HA 0.557 4.897 4.340 -0.000 0.000 0.273 375 Q C -0.842 175.092 176.000 -0.110 0.000 1.078 375 Q CA -0.693 55.033 55.803 -0.128 0.000 0.806 375 Q CB 2.169 30.861 28.738 -0.075 0.000 1.332 375 Q HN 0.786 nan 8.270 nan 0.000 0.435 376 I N 2.818 123.358 120.570 -0.051 0.000 2.331 376 I HA 0.389 4.559 4.170 -0.000 0.000 0.292 376 I C -0.023 176.086 176.117 -0.012 0.000 0.998 376 I CA -0.692 60.594 61.300 -0.024 0.000 1.267 376 I CB 0.981 38.981 38.000 0.000 0.000 1.386 376 I HN 0.323 nan 8.210 nan 0.000 0.476 377 V N 2.843 122.753 119.914 -0.008 0.000 3.158 377 V HA 0.845 4.965 4.120 -0.000 0.000 0.311 377 V C 0.207 176.303 176.094 0.002 0.000 1.181 377 V CA -1.159 61.140 62.300 -0.002 0.000 1.054 377 V CB 1.461 33.282 31.823 -0.003 0.000 1.085 377 V HN 0.759 nan 8.190 nan 0.000 0.446 378 A N 1.179 123.999 122.820 0.000 0.000 2.520 378 A HA 0.478 4.798 4.320 -0.000 0.000 0.235 378 A C -1.303 176.279 177.584 -0.005 0.000 1.065 378 A CA -0.238 51.798 52.037 -0.002 0.000 0.764 378 A CB -0.554 18.443 19.000 -0.005 0.000 1.002 378 A HN 0.854 nan 8.150 nan 0.000 0.502 379 P HA -0.158 nan 4.420 nan 0.000 0.218 379 P C 0.500 177.788 177.300 -0.020 0.000 1.148 379 P CA 1.863 64.960 63.100 -0.006 0.000 0.822 379 P CB -0.060 31.638 31.700 -0.004 0.000 0.784 380 D N -2.917 117.467 120.400 -0.026 0.000 2.328 380 D HA -0.021 4.619 4.640 -0.000 0.000 0.226 380 D C -0.077 176.188 176.300 -0.057 0.000 1.066 380 D CA -0.016 53.959 54.000 -0.042 0.000 0.861 380 D CB -0.967 39.813 40.800 -0.033 0.000 0.912 380 D HN -0.071 nan 8.370 nan 0.000 0.521 381 T N 0.909 115.436 114.554 -0.045 0.000 2.934 381 T HA -0.004 4.346 4.350 -0.000 0.000 0.306 381 T C 0.230 174.877 174.700 -0.088 0.000 1.042 381 T CA -0.021 62.053 62.100 -0.045 0.000 1.145 381 T CB 0.921 69.778 68.868 -0.018 0.000 0.982 381 T HN 0.070 nan 8.240 nan 0.000 0.544 382 K N 2.256 122.603 120.400 -0.089 0.000 2.484 382 K HA 0.512 4.832 4.320 -0.000 0.000 0.226 382 K C -0.566 176.039 176.600 0.008 0.000 1.031 382 K CA -0.373 55.824 56.287 -0.149 0.000 1.026 382 K CB 0.916 33.326 32.500 -0.150 0.000 1.412 382 K HN 0.720 nan 8.250 nan 0.000 0.492 383 A N 3.025 125.883 122.820 0.063 0.000 2.306 383 A HA 0.452 4.772 4.320 -0.000 0.000 0.314 383 A C -1.682 176.042 177.584 0.233 0.000 1.164 383 A CA -1.296 50.819 52.037 0.130 0.000 0.822 383 A CB 0.485 19.546 19.000 0.102 0.000 1.130 383 A HN 0.404 nan 8.150 nan 0.000 0.496 384 P HA 0.028 nan 4.420 nan 0.000 0.229 384 P C 0.919 178.392 177.300 0.289 0.000 1.160 384 P CA 1.349 64.618 63.100 0.281 0.000 0.777 384 P CB 0.272 32.071 31.700 0.165 0.000 0.814 385 G N 0.059 109.005 108.800 0.243 0.000 2.849 385 G HA2 0.541 4.501 3.960 -0.000 0.000 0.174 385 G HA3 0.541 4.501 3.960 -0.000 0.000 0.174 385 G C -0.795 174.261 174.900 0.260 0.000 1.370 385 G CA -0.646 44.589 45.100 0.226 0.000 1.040 385 G HN 0.033 nan 8.290 nan 0.000 0.582 386 L N 1.479 122.840 121.223 0.230 0.000 2.272 386 L HA 0.485 4.825 4.340 -0.000 0.000 0.289 386 L C 0.211 177.228 176.870 0.246 0.000 1.032 386 L CA -0.598 54.372 54.840 0.217 0.000 0.810 386 L CB 1.352 43.510 42.059 0.166 0.000 1.205 386 L HN 0.636 nan 8.230 nan 0.000 0.422 387 T N 0.359 115.020 114.554 0.178 0.000 2.916 387 T HA 0.687 5.037 4.350 -0.000 0.000 0.292 387 T C -0.822 173.954 174.700 0.127 0.000 1.064 387 T CA -0.873 61.320 62.100 0.154 0.000 1.011 387 T CB 2.602 71.524 68.868 0.089 0.000 1.152 387 T HN 0.607 nan 8.240 nan 0.000 0.510 388 Q N -0.117 119.752 119.800 0.116 0.000 2.438 388 Q HA 0.604 4.944 4.340 -0.000 0.000 0.272 388 Q C -2.077 173.969 176.000 0.076 0.000 0.994 388 Q CA -0.991 54.866 55.803 0.090 0.000 0.887 388 Q CB 1.932 30.732 28.738 0.102 0.000 1.432 388 Q HN 1.164 nan 8.270 nan 0.000 0.392 389 A N 3.389 126.245 122.820 0.059 0.000 2.312 389 A HA 0.834 5.154 4.320 -0.000 0.000 0.328 389 A C -1.288 176.342 177.584 0.077 0.000 1.158 389 A CA -0.495 51.577 52.037 0.058 0.000 0.821 389 A CB 0.721 19.745 19.000 0.040 0.000 1.170 389 A HN 0.617 nan 8.150 nan 0.000 0.490 390 L N 1.321 122.606 121.223 0.103 0.000 2.401 390 L HA 0.372 4.712 4.340 -0.000 0.000 0.266 390 L C -0.252 176.722 176.870 0.173 0.000 0.991 390 L CA -0.413 54.527 54.840 0.166 0.000 0.818 390 L CB 2.301 44.491 42.059 0.218 0.000 1.321 390 L HN 0.777 nan 8.230 nan 0.000 0.413 391 N N 0.709 119.515 118.700 0.177 0.000 2.406 391 N HA 0.329 5.069 4.740 -0.000 0.000 0.251 391 N C -0.307 175.177 175.510 -0.042 0.000 1.069 391 N CA -0.312 52.778 53.050 0.066 0.000 0.947 391 N CB 0.948 39.454 38.487 0.030 0.000 1.111 391 N HN 0.697 nan 8.380 nan 0.000 0.497 392 T N -1.155 113.331 114.554 -0.113 0.000 2.849 392 T HA 0.193 4.542 4.350 -0.000 0.000 0.276 392 T C 1.237 175.745 174.700 -0.319 0.000 0.971 392 T CA -0.700 61.203 62.100 -0.329 0.000 0.949 392 T CB 1.452 70.254 68.868 -0.110 0.000 1.093 392 T HN 0.266 nan 8.240 nan 0.000 0.545 393 K N -0.063 120.133 120.400 -0.340 0.000 2.152 393 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 393 K C 1.137 177.659 176.600 -0.130 0.000 1.048 393 K CA 1.511 57.667 56.287 -0.218 0.000 0.933 393 K CB -0.316 32.082 32.500 -0.169 0.000 0.721 393 K HN 0.573 nan 8.250 nan 0.000 0.447 394 D N -0.240 120.097 120.400 -0.106 0.000 2.378 394 D HA -0.028 4.612 4.640 -0.000 0.000 0.227 394 D C 0.732 176.997 176.300 -0.060 0.000 1.012 394 D CA 0.930 54.889 54.000 -0.068 0.000 0.905 394 D CB 0.126 40.897 40.800 -0.050 0.000 0.895 394 D HN 0.483 nan 8.370 nan 0.000 0.532 395 G N 0.781 109.537 108.800 -0.074 0.000 2.221 395 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.265 395 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.265 395 G C 0.268 175.145 174.900 -0.038 0.000 1.041 395 G CA 0.429 45.495 45.100 -0.057 0.000 0.807 395 G HN 0.611 nan 8.290 nan 0.000 0.502 396 A N -1.477 121.321 122.820 -0.036 0.000 2.435 396 A HA 0.911 5.231 4.320 -0.000 0.000 0.296 396 A C -0.141 177.443 177.584 -0.001 0.000 1.147 396 A CA -0.346 51.681 52.037 -0.016 0.000 0.775 396 A CB 2.023 21.015 19.000 -0.013 0.000 1.340 396 A HN 1.128 nan 8.150 nan 0.000 0.427 397 V N 1.439 121.359 119.914 0.011 0.000 2.439 397 V HA 0.506 4.626 4.120 -0.000 0.000 0.282 397 V C 0.018 176.135 176.094 0.039 0.000 1.039 397 V CA -0.079 62.239 62.300 0.029 0.000 0.913 397 V CB 1.234 33.070 31.823 0.022 0.000 0.983 397 V HN 0.884 nan 8.190 nan 0.000 0.460 398 M N 5.700 125.340 119.600 0.066 0.000 2.393 398 M HA 0.642 5.121 4.480 -0.000 0.000 0.316 398 M C -1.596 174.743 176.300 0.064 0.000 1.087 398 M CA -0.482 54.858 55.300 0.067 0.000 0.937 398 M CB 1.889 34.549 32.600 0.101 0.000 1.668 398 M HN 0.396 nan 8.290 nan 0.000 0.438 399 V N 5.993 125.932 119.914 0.042 0.000 2.398 399 V HA 0.466 4.586 4.120 -0.000 0.000 0.286 399 V C -0.261 175.850 176.094 0.027 0.000 1.026 399 V CA -0.440 61.883 62.300 0.038 0.000 0.868 399 V CB 1.580 33.418 31.823 0.024 0.000 0.982 399 V HN 0.945 nan 8.190 nan 0.000 0.443 400 M N 3.592 123.215 119.600 0.039 0.000 2.404 400 M HA 0.526 5.006 4.480 -0.000 0.000 0.338 400 M C -0.171 176.128 176.300 -0.002 0.000 1.150 400 M CA 0.001 55.296 55.300 -0.009 0.000 1.016 400 M CB 2.039 34.646 32.600 0.012 0.000 1.672 400 M HN 0.672 nan 8.290 nan 0.000 0.448 401 S N 2.288 117.906 115.700 -0.137 0.000 2.526 401 S HA 0.684 5.153 4.470 -0.000 0.000 0.293 401 S C -1.883 172.544 174.600 -0.288 0.000 1.092 401 S CA -0.517 57.643 58.200 -0.067 0.000 0.980 401 S CB 0.832 64.018 63.200 -0.023 0.000 1.048 401 S HN 0.536 nan 8.310 nan 0.000 0.483 402 Y N 2.049 122.389 120.300 0.067 0.000 2.402 402 Y HA 0.528 5.078 4.550 -0.000 0.000 0.325 402 Y C 0.859 176.810 175.900 0.085 0.000 1.009 402 Y CA -0.774 57.371 58.100 0.076 0.000 1.278 402 Y CB 1.861 40.363 38.460 0.071 0.000 1.105 402 Y HN 0.829 nan 8.280 nan 0.000 0.476 403 G N 1.498 110.405 108.800 0.178 0.000 4.543 403 G HA2 0.003 3.963 3.960 -0.000 0.000 0.286 403 G HA3 0.003 3.963 3.960 -0.000 0.000 0.286 403 G C 0.208 175.180 174.900 0.121 0.000 1.112 403 G CA -0.446 44.741 45.100 0.146 0.000 0.870 403 G HN 0.554 nan 8.290 nan 0.000 0.540 404 N N -0.757 118.023 118.700 0.133 0.000 2.203 404 N HA 0.187 4.927 4.740 -0.000 0.000 0.207 404 N C -0.042 175.527 175.510 0.100 0.000 1.130 404 N CA -0.321 52.794 53.050 0.109 0.000 0.861 404 N CB 0.949 39.502 38.487 0.110 0.000 1.005 404 N HN 0.024 nan 8.380 nan 0.000 0.507 405 S N -0.533 115.230 115.700 0.105 0.000 2.566 405 S HA 0.249 4.719 4.470 -0.000 0.000 0.273 405 S C -0.416 174.224 174.600 0.068 0.000 1.157 405 S CA -0.606 57.644 58.200 0.082 0.000 0.938 405 S CB 1.034 64.290 63.200 0.093 0.000 1.087 405 S HN 0.199 nan 8.310 nan 0.000 0.474 406 E N 1.793 122.019 120.200 0.044 0.000 2.489 406 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 406 E C 0.184 176.795 176.600 0.020 0.000 1.057 406 E CA 0.137 56.553 56.400 0.026 0.000 0.866 406 E CB 0.261 29.968 29.700 0.011 0.000 0.916 406 E HN 0.620 nan 8.360 nan 0.000 0.500 407 E N 1.100 121.317 120.200 0.027 0.000 2.351 407 E HA 0.011 4.361 4.350 -0.000 0.000 0.255 407 E C 0.225 176.840 176.600 0.026 0.000 1.188 407 E CA -0.154 56.258 56.400 0.019 0.000 0.940 407 E CB 0.442 30.151 29.700 0.015 0.000 1.094 407 E HN -0.032 nan 8.360 nan 0.000 0.474 408 D N 0.111 120.519 120.400 0.014 0.000 2.182 408 D HA -0.104 4.536 4.640 -0.000 0.000 0.201 408 D C 0.561 176.881 176.300 0.033 0.000 0.986 408 D CA 1.189 55.197 54.000 0.014 0.000 0.847 408 D CB 0.039 40.839 40.800 0.000 0.000 0.942 408 D HN 0.113 nan 8.370 nan 0.000 0.467 409 S N 0.093 115.822 115.700 0.048 0.000 2.489 409 S HA 0.202 4.672 4.470 -0.000 0.000 0.291 409 S C -0.402 174.301 174.600 0.171 0.000 1.151 409 S CA -0.886 57.377 58.200 0.106 0.000 1.082 409 S CB 0.697 63.917 63.200 0.034 0.000 1.019 409 S HN -0.087 nan 8.310 nan 0.000 0.492 410 Q N 2.579 122.545 119.800 0.276 0.000 2.260 410 Q HA 0.389 4.728 4.340 -0.000 0.000 0.238 410 Q C -0.023 176.188 176.000 0.352 0.000 0.948 410 Q CA -0.387 55.586 55.803 0.282 0.000 0.895 410 Q CB 0.746 29.668 28.738 0.306 0.000 1.218 410 Q HN 0.669 nan 8.270 nan 0.000 0.470 411 E N 0.658 120.994 120.200 0.227 0.000 2.250 411 E HA 0.252 4.601 4.350 -0.000 0.000 0.265 411 E C -0.321 176.293 176.600 0.023 0.000 1.033 411 E CA -0.490 55.984 56.400 0.123 0.000 0.888 411 E CB 0.787 30.527 29.700 0.067 0.000 1.151 411 E HN 0.477 nan 8.360 nan 0.000 0.412 412 H N 0.071 119.004 119.070 -0.228 0.000 2.671 412 H HA 0.173 4.729 4.556 -0.000 0.000 0.372 412 H C 0.268 175.517 175.328 -0.131 0.000 1.227 412 H CA -0.100 55.694 56.048 -0.424 0.000 1.426 412 H CB 0.891 30.342 29.762 -0.518 0.000 1.480 412 H HN 0.421 nan 8.280 nan 0.000 0.611 413 T N -1.570 113.033 114.554 0.082 0.000 2.907 413 T HA 0.321 4.671 4.350 -0.000 0.000 0.292 413 T C 1.186 176.014 174.700 0.214 0.000 1.043 413 T CA -0.591 61.589 62.100 0.134 0.000 1.003 413 T CB 1.678 70.622 68.868 0.126 0.000 1.084 413 T HN 0.641 nan 8.240 nan 0.000 0.483 414 G N 0.581 109.509 108.800 0.212 0.000 2.650 414 G HA2 0.110 4.069 3.960 -0.000 0.000 0.214 414 G HA3 0.110 4.069 3.960 -0.000 0.000 0.214 414 G C 0.699 175.726 174.900 0.211 0.000 1.136 414 G CA 0.140 45.389 45.100 0.248 0.000 0.789 414 G HN 0.871 nan 8.290 nan 0.000 0.536 415 S N 0.605 116.424 115.700 0.200 0.000 2.560 415 S HA 0.190 4.659 4.470 -0.000 0.000 0.284 415 S C 0.946 175.670 174.600 0.207 0.000 1.327 415 S CA -0.496 57.797 58.200 0.156 0.000 1.055 415 S CB 0.358 63.643 63.200 0.142 0.000 0.868 415 S HN 0.614 nan 8.310 nan 0.000 0.506 416 Q N 2.656 122.521 119.800 0.107 0.000 2.524 416 Q HA 0.436 4.775 4.340 -0.000 0.000 0.246 416 Q C -0.461 175.684 176.000 0.242 0.000 1.063 416 Q CA -0.387 55.503 55.803 0.145 0.000 0.945 416 Q CB 0.140 28.942 28.738 0.107 0.000 1.292 416 Q HN 0.567 nan 8.270 nan 0.000 0.518 417 L N -3.085 118.323 121.223 0.308 0.000 2.568 417 L HA 0.549 4.889 4.340 -0.000 0.000 0.257 417 L C -0.552 176.407 176.870 0.148 0.000 1.024 417 L CA -1.350 53.622 54.840 0.221 0.000 0.854 417 L CB 1.557 43.757 42.059 0.235 0.000 1.460 417 L HN 0.747 nan 8.230 nan 0.000 0.409 418 R N 0.948 121.484 120.500 0.060 0.000 2.566 418 R HA 0.399 4.739 4.340 -0.000 0.000 0.273 418 R C -0.986 175.236 176.300 -0.130 0.000 0.981 418 R CA 0.372 56.465 56.100 -0.012 0.000 1.091 418 R CB 0.156 30.450 30.300 -0.010 0.000 0.924 418 R HN 0.828 nan 8.270 nan 0.000 0.411 419 I N 3.254 123.712 120.570 -0.188 0.000 2.533 419 I HA 0.574 4.743 4.170 -0.000 0.000 0.290 419 I C -1.344 174.677 176.117 -0.160 0.000 1.056 419 I CA -0.443 60.672 61.300 -0.308 0.000 1.057 419 I CB 1.896 39.556 38.000 -0.567 0.000 1.240 419 I HN 0.821 nan 8.210 nan 0.000 0.423 420 A N 5.528 128.266 122.820 -0.136 0.000 2.469 420 A HA 1.026 5.346 4.320 -0.000 0.000 0.299 420 A C -1.362 176.195 177.584 -0.044 0.000 1.098 420 A CA -0.177 51.822 52.037 -0.062 0.000 0.737 420 A CB 1.867 20.843 19.000 -0.040 0.000 1.312 420 A HN 1.135 nan 8.150 nan 0.000 0.414 421 A N -0.284 122.541 122.820 0.008 0.000 2.610 421 A HA 0.764 5.084 4.320 -0.000 0.000 0.291 421 A C -1.806 175.852 177.584 0.123 0.000 1.086 421 A CA -0.355 51.705 52.037 0.039 0.000 0.677 421 A CB 1.020 20.025 19.000 0.009 0.000 1.278 421 A HN 2.110 nan 8.150 nan 0.000 0.414 422 Y N 0.108 120.402 120.300 -0.011 0.000 2.479 422 Y HA 0.611 5.160 4.550 -0.001 0.000 0.338 422 Y C 0.144 176.046 175.900 0.003 0.000 1.055 422 Y CA 0.607 58.706 58.100 -0.001 0.000 1.023 422 Y CB 1.631 40.093 38.460 0.002 0.000 1.287 422 Y HN 2.478 nan 8.280 nan 0.000 0.447 423 G N 4.130 112.467 108.800 -0.771 0.000 2.422 423 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.607 423 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.607 423 G C -3.280 171.461 174.900 -0.264 0.000 1.270 423 G CA -1.011 43.733 45.100 -0.594 0.000 0.992 423 G HN 0.538 nan 8.290 nan 0.000 0.499 424 P HA 0.293 nan 4.420 nan 0.000 0.267 424 P C 0.348 177.713 177.300 0.107 0.000 1.205 424 P CA 0.832 63.915 63.100 -0.028 0.000 0.765 424 P CB 0.053 31.785 31.700 0.053 0.000 0.828 425 H N 0.575 119.601 119.070 -0.074 0.000 3.428 425 H HA -0.211 4.344 4.556 -0.000 0.000 0.204 425 H C 1.250 176.553 175.328 -0.042 0.000 1.078 425 H CA 0.784 56.803 56.048 -0.048 0.000 1.183 425 H CB -1.623 28.115 29.762 -0.039 0.000 1.132 425 H HN 0.565 nan 8.280 nan 0.000 0.323 426 A N 0.987 123.814 122.820 0.012 0.000 1.972 426 A HA 0.093 4.413 4.320 -0.000 0.000 0.219 426 A C 2.544 180.129 177.584 0.001 0.000 1.169 426 A CA 1.889 53.924 52.037 -0.002 0.000 0.635 426 A CB -0.559 18.420 19.000 -0.034 0.000 0.810 426 A HN 0.564 nan 8.150 nan 0.000 0.446 427 A N 0.603 123.413 122.820 -0.017 0.000 2.032 427 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 427 A C 1.690 179.282 177.584 0.012 0.000 1.165 427 A CA 1.571 53.602 52.037 -0.010 0.000 0.645 427 A CB -0.676 18.305 19.000 -0.032 0.000 0.807 427 A HN 0.597 nan 8.150 nan 0.000 0.453 428 N N 0.141 118.860 118.700 0.032 0.000 2.635 428 N HA -0.101 4.639 4.740 -0.000 0.000 0.191 428 N C 1.459 177.002 175.510 0.055 0.000 1.155 428 N CA 1.490 54.573 53.050 0.055 0.000 0.927 428 N CB -0.006 38.534 38.487 0.088 0.000 0.976 428 N HN 0.630 nan 8.380 nan 0.000 0.448 429 V N -2.658 117.277 119.914 0.034 0.000 3.590 429 V HA 0.180 4.299 4.120 -0.000 0.000 0.265 429 V C 0.840 176.947 176.094 0.021 0.000 1.239 429 V CA -0.035 62.277 62.300 0.020 0.000 1.117 429 V CB -0.143 31.668 31.823 -0.020 0.000 0.818 429 V HN -0.217 nan 8.190 nan 0.000 0.451 430 V N 2.353 122.282 119.914 0.024 0.000 2.881 430 V HA 0.767 4.887 4.120 -0.000 0.000 0.303 430 V C 1.284 177.400 176.094 0.036 0.000 1.070 430 V CA 0.670 62.985 62.300 0.025 0.000 1.074 430 V CB -0.109 31.726 31.823 0.019 0.000 1.012 430 V HN 1.036 nan 8.190 nan 0.000 0.482 431 G N 2.689 111.511 108.800 0.038 0.000 2.584 431 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.229 431 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.229 431 G C -0.864 174.073 174.900 0.062 0.000 1.320 431 G CA 0.019 45.146 45.100 0.045 0.000 0.891 431 G HN 1.117 nan 8.290 nan 0.000 0.573 432 L N 1.685 122.949 121.223 0.069 0.000 2.292 432 L HA 0.771 5.110 4.340 -0.000 0.000 0.284 432 L C 1.049 177.981 176.870 0.104 0.000 1.065 432 L CA 1.084 55.978 54.840 0.090 0.000 0.806 432 L CB 1.199 43.305 42.059 0.078 0.000 1.175 432 L HN 1.591 nan 8.230 nan 0.000 0.431 433 T N 0.265 114.907 114.554 0.146 0.000 2.778 433 T HA 0.563 4.913 4.350 -0.000 0.000 0.293 433 T C -1.071 173.737 174.700 0.179 0.000 1.144 433 T CA -0.859 61.337 62.100 0.161 0.000 1.010 433 T CB 1.346 70.326 68.868 0.187 0.000 1.325 433 T HN 0.558 nan 8.240 nan 0.000 0.515 434 D N -0.957 119.531 120.400 0.147 0.000 2.269 434 D HA 0.331 4.971 4.640 -0.000 0.000 0.244 434 D C 1.211 177.551 176.300 0.067 0.000 0.992 434 D CA -0.622 53.406 54.000 0.046 0.000 0.894 434 D CB 2.191 42.998 40.800 0.012 0.000 1.248 434 D HN 0.673 nan 8.370 nan 0.000 0.468 435 Q N 0.537 120.215 119.800 -0.203 0.000 2.152 435 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 435 Q C 1.570 177.674 176.000 0.173 0.000 0.985 435 Q CA 2.341 58.064 55.803 -0.134 0.000 0.863 435 Q CB -0.033 28.536 28.738 -0.282 0.000 0.904 435 Q HN 0.750 nan 8.270 nan 0.000 0.422 436 T N -2.100 112.515 114.554 0.102 0.000 2.915 436 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 436 T C 1.290 176.215 174.700 0.374 0.000 1.071 436 T CA 1.213 63.433 62.100 0.200 0.000 1.132 436 T CB -0.243 68.697 68.868 0.120 0.000 0.878 436 T HN 0.229 nan 8.240 nan 0.000 0.479 437 D N 1.017 121.595 120.400 0.296 0.000 2.178 437 D HA -0.040 4.600 4.640 -0.000 0.000 0.201 437 D C 1.959 178.456 176.300 0.329 0.000 0.980 437 D CA 0.666 54.853 54.000 0.311 0.000 0.842 437 D CB -0.224 40.700 40.800 0.207 0.000 0.948 437 D HN 0.293 nan 8.370 nan 0.000 0.472 438 L N 0.432 121.849 121.223 0.323 0.000 2.083 438 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 438 L C 2.009 179.021 176.870 0.236 0.000 1.083 438 L CA 1.255 56.256 54.840 0.268 0.000 0.752 438 L CB -0.825 41.422 42.059 0.313 0.000 0.899 438 L HN -0.064 nan 8.230 nan 0.000 0.433 439 F N -0.721 119.320 119.950 0.151 0.000 2.102 439 F HA -0.273 4.254 4.527 -0.001 0.000 0.298 439 F C 2.066 177.788 175.800 -0.130 0.000 1.105 439 F CA 1.739 59.727 58.000 -0.020 0.000 1.239 439 F CB -0.682 38.214 39.000 -0.175 0.000 0.991 439 F HN 0.148 nan 8.300 nan 0.000 0.474 440 Y N 0.243 120.551 120.300 0.012 0.000 2.293 440 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 440 Y C 2.679 178.501 175.900 -0.130 0.000 1.137 440 Y CA 1.794 59.832 58.100 -0.103 0.000 1.202 440 Y CB -1.219 37.292 38.460 0.085 0.000 0.990 440 Y HN 0.031 nan 8.280 nan 0.000 0.537 441 T N -0.094 114.504 114.554 0.072 0.000 2.777 441 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 441 T C 1.856 176.507 174.700 -0.082 0.000 1.040 441 T CA 1.478 63.597 62.100 0.032 0.000 1.141 441 T CB -0.260 68.657 68.868 0.083 0.000 0.868 441 T HN 0.297 nan 8.240 nan 0.000 0.444 442 M N 0.449 119.974 119.600 -0.124 0.000 2.319 442 M HA 0.019 4.499 4.480 -0.000 0.000 0.265 442 M C 2.303 178.441 176.300 -0.269 0.000 1.068 442 M CA 1.171 56.376 55.300 -0.158 0.000 1.118 442 M CB -0.248 32.295 32.600 -0.095 0.000 1.395 442 M HN 0.104 nan 8.290 nan 0.000 0.435 443 K N 1.018 121.178 120.400 -0.401 0.000 1.991 443 K HA -0.059 4.260 4.320 -0.000 0.000 0.207 443 K C 2.080 178.528 176.600 -0.254 0.000 1.045 443 K CA 1.434 57.472 56.287 -0.415 0.000 0.937 443 K CB -0.104 32.033 32.500 -0.605 0.000 0.720 443 K HN 0.226 nan 8.250 nan 0.000 0.438 444 A N 0.948 123.648 122.820 -0.200 0.000 1.933 444 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 444 A C 2.278 179.670 177.584 -0.320 0.000 1.175 444 A CA 1.923 53.865 52.037 -0.158 0.000 0.628 444 A CB -0.820 18.148 19.000 -0.053 0.000 0.814 444 A HN 0.484 nan 8.150 nan 0.000 0.444 445 A N -0.627 121.913 122.820 -0.467 0.000 1.972 445 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 445 A C 1.931 179.289 177.584 -0.377 0.000 1.169 445 A CA 1.388 52.975 52.037 -0.750 0.000 0.635 445 A CB -0.425 18.253 19.000 -0.538 0.000 0.810 445 A HN 0.463 nan 8.150 nan 0.000 0.446 446 L N -1.025 120.053 121.223 -0.241 0.000 2.592 446 L HA 0.210 4.550 4.340 -0.000 0.000 0.227 446 L C 1.411 178.209 176.870 -0.119 0.000 1.127 446 L CA 0.389 55.139 54.840 -0.151 0.000 0.884 446 L CB -0.119 41.869 42.059 -0.119 0.000 1.065 446 L HN 0.565 nan 8.230 nan 0.000 0.457 447 G N 1.105 109.826 108.800 -0.132 0.000 2.246 447 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.273 447 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.273 447 G C 0.035 174.894 174.900 -0.069 0.000 1.055 447 G CA -0.016 45.035 45.100 -0.082 0.000 0.851 447 G HN 0.246 nan 8.290 nan 0.000 0.500 448 L N -0.328 120.838 121.223 -0.095 0.000 2.439 448 L HA 0.591 4.931 4.340 -0.000 0.000 0.259 448 L C 1.224 178.066 176.870 -0.047 0.000 1.129 448 L CA -0.728 54.067 54.840 -0.076 0.000 0.803 448 L CB 0.773 42.765 42.059 -0.113 0.000 1.161 448 L HN 0.411 nan 8.230 nan 0.000 0.462 449 K N 0.000 120.387 120.400 -0.022 0.000 2.780 449 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 449 K CA 0.000 56.290 56.287 0.005 0.000 0.838 449 K CB 0.000 32.506 32.500 0.010 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543