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 1xvg_1_A DATA FIRST_RESID 18 DATA SEQUENCE RAPTSVNAQE VHRWLQSFNW DFKNNRTKYA TKYKMANETK EQFKLIAKEY DATA SEQUENCE ARMEAVKDER QFGSLQDALT RLNAGVRVHP KWNETMKVVS NFLEVGEYNA DATA SEQUENCE IAATGMLWDS AQAAEQKNGY LAQVLDEIRH THQCAYVNYY FAKNGQDPAG DATA SEQUENCE HNDARRTRTI GPLWKGMKRV FSDGFISGDA VECSLNLQLV GEACFTNPLI DATA SEQUENCE VAVTEWAAAN GDEITPTVFL SIETDELRHM ANGYQTVVSI ANDPASAKYL DATA SEQUENCE NTDLNNAFWT QQKYFTPVLG MLFEYGSKFK VEPWVKTWDR WVYEDWGGIW DATA SEQUENCE IGRLGKYGVE SPRSLKDAKQ DAYWAHHDLY LLAYALWPTG FFRLALPDQE DATA SEQUENCE EMEWFEANYP GWYDHYGKIY EEWRARGCED PSSGFIPLMW FIENNHPIYI DATA SEQUENCE DRVSQVPFCP SLAKGASTLR VHEYNGEMHT FSDQWGERMW LAEPERYECQ DATA SEQUENCE NIFEQYEGRE LSEVIAELHG LRSDGKTLIA QPHVRGDKLW TLDDIKRLNC DATA SEQUENCE VFKNPVKAFN 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.304 176.300 0.006 0.000 0.893 18 R CA 0.000 56.103 56.100 0.006 0.000 0.921 18 R CB 0.000 30.303 30.300 0.005 0.000 0.687 19 A N 1.357 124.182 122.820 0.007 0.000 2.312 19 A HA 0.696 5.016 4.320 -0.000 0.000 0.326 19 A C -2.237 175.353 177.584 0.009 0.000 1.172 19 A CA -1.461 50.580 52.037 0.008 0.000 0.821 19 A CB 0.391 19.395 19.000 0.008 0.000 1.166 19 A HN 0.204 nan 8.150 nan 0.000 0.493 20 P HA 0.130 nan 4.420 nan 0.000 0.255 20 P C -0.201 177.106 177.300 0.012 0.000 1.173 20 P CA 0.926 64.032 63.100 0.010 0.000 0.780 20 P CB 0.318 32.023 31.700 0.009 0.000 0.758 21 T N 1.146 115.708 114.554 0.014 0.000 2.901 21 T HA 0.690 5.040 4.350 -0.000 0.000 0.293 21 T C -0.690 174.022 174.700 0.020 0.000 1.084 21 T CA -0.363 61.748 62.100 0.017 0.000 1.008 21 T CB 1.467 70.346 68.868 0.018 0.000 1.170 21 T HN 0.255 nan 8.240 nan 0.000 0.509 22 S N 0.655 116.369 115.700 0.024 0.000 2.843 22 S HA 0.827 5.297 4.470 -0.000 0.000 0.301 22 S C -1.919 172.703 174.600 0.036 0.000 1.206 22 S CA -0.437 57.779 58.200 0.028 0.000 0.875 22 S CB 1.133 64.348 63.200 0.026 0.000 1.248 22 S HN 0.697 nan 8.310 nan 0.000 0.555 23 V N 3.165 123.104 119.914 0.041 0.000 2.760 23 V HA 0.525 4.645 4.120 -0.000 0.000 0.309 23 V C -0.841 175.286 176.094 0.055 0.000 1.077 23 V CA -0.940 61.393 62.300 0.054 0.000 0.910 23 V CB 1.659 33.521 31.823 0.064 0.000 1.008 23 V HN 0.970 nan 8.190 nan 0.000 0.424 24 N N 3.199 121.933 118.700 0.058 0.000 2.563 24 N HA 0.676 5.416 4.740 -0.000 0.000 0.288 24 N C 0.956 176.508 175.510 0.071 0.000 1.246 24 N CA -0.186 52.897 53.050 0.055 0.000 0.946 24 N CB 1.275 39.787 38.487 0.041 0.000 1.213 24 N HN 0.590 nan 8.380 nan 0.000 0.578 25 A N -0.161 122.699 122.820 0.067 0.000 1.873 25 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 25 A C 1.986 179.628 177.584 0.096 0.000 1.193 25 A CA 2.356 54.444 52.037 0.084 0.000 0.629 25 A CB -1.428 17.614 19.000 0.070 0.000 0.826 25 A HN 0.865 nan 8.150 nan 0.000 0.447 26 Q N -0.538 119.295 119.800 0.055 0.000 2.096 26 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 26 Q C 1.692 177.737 176.000 0.075 0.000 0.982 26 Q CA 1.745 57.571 55.803 0.038 0.000 0.850 26 Q CB -0.565 28.168 28.738 -0.008 0.000 0.901 26 Q HN 0.769 nan 8.270 nan 0.000 0.422 27 E N 0.637 120.887 120.200 0.083 0.000 2.110 27 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 27 E C 2.056 178.766 176.600 0.184 0.000 0.988 27 E CA 1.444 57.913 56.400 0.114 0.000 0.804 27 E CB 0.103 29.869 29.700 0.109 0.000 0.745 27 E HN 0.221 nan 8.360 nan 0.000 0.458 28 V N 0.619 120.639 119.914 0.177 0.000 2.446 28 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 28 V C 2.285 178.472 176.094 0.155 0.000 1.039 28 V CA 1.393 63.823 62.300 0.216 0.000 1.045 28 V CB -0.476 31.456 31.823 0.182 0.000 0.681 28 V HN 0.404 nan 8.190 nan 0.000 0.459 29 H N 0.973 120.048 119.070 0.009 0.000 2.457 29 H HA -0.165 4.391 4.556 -0.000 0.000 0.297 29 H C 2.460 177.695 175.328 -0.155 0.000 1.092 29 H CA 1.531 57.528 56.048 -0.085 0.000 1.309 29 H CB -0.031 29.692 29.762 -0.065 0.000 1.382 29 H HN 0.184 nan 8.280 nan 0.000 0.535 30 R N 0.246 120.727 120.500 -0.031 0.000 2.139 30 R HA -0.196 4.144 4.340 -0.000 0.000 0.243 30 R C 1.104 177.055 176.300 -0.582 0.000 1.145 30 R CA 1.671 57.594 56.100 -0.295 0.000 0.976 30 R CB -0.570 29.503 30.300 -0.377 0.000 0.866 30 R HN 0.395 nan 8.270 nan 0.000 0.449 31 W N -0.288 120.933 121.300 -0.132 0.000 3.220 31 W HA 0.204 4.864 4.660 0.000 0.000 0.328 31 W C 1.712 177.958 176.519 -0.455 0.000 1.205 31 W CA -0.604 56.657 57.345 -0.140 0.000 1.773 31 W CB -0.127 29.356 29.460 0.038 0.000 1.086 31 W HN 0.019 nan 8.180 nan 0.000 0.622 32 L N 0.932 121.758 121.223 -0.661 0.000 2.079 32 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 32 L C 2.655 179.122 176.870 -0.672 0.000 1.081 32 L CA 1.773 55.881 54.840 -1.221 0.000 0.752 32 L CB -0.223 41.216 42.059 -1.033 0.000 0.896 32 L HN -0.021 nan 8.230 nan 0.000 0.433 33 Q N -0.115 119.461 119.800 -0.373 0.000 2.181 33 Q HA -0.210 4.130 4.340 -0.000 0.000 0.205 33 Q C 2.175 178.182 176.000 0.011 0.000 0.980 33 Q CA 1.921 57.632 55.803 -0.154 0.000 0.862 33 Q CB -0.234 28.432 28.738 -0.121 0.000 0.905 33 Q HN 0.710 nan 8.270 nan 0.000 0.429 34 S N -1.263 114.496 115.700 0.099 0.000 2.562 34 S HA -0.001 4.469 4.470 -0.000 0.000 0.221 34 S C 1.331 176.204 174.600 0.456 0.000 0.975 34 S CA -0.023 58.345 58.200 0.279 0.000 0.918 34 S CB -0.382 63.041 63.200 0.371 0.000 0.772 34 S HN 0.279 nan 8.310 nan 0.000 0.531 35 F N 2.550 122.598 119.950 0.163 0.000 2.216 35 F HA 0.207 4.734 4.527 -0.000 0.000 0.300 35 F C 1.473 177.464 175.800 0.319 0.000 1.085 35 F CA -0.301 57.821 58.000 0.203 0.000 1.326 35 F CB -1.346 37.743 39.000 0.149 0.000 1.027 35 F HN 0.287 nan 8.300 nan 0.000 0.497 36 N N -0.191 118.768 118.700 0.431 0.000 2.530 36 N HA 0.166 4.906 4.740 -0.000 0.000 0.277 36 N C -0.772 174.982 175.510 0.406 0.000 1.168 36 N CA -0.273 52.967 53.050 0.318 0.000 0.979 36 N CB 0.707 39.269 38.487 0.124 0.000 1.141 36 N HN 0.173 nan 8.380 nan 0.000 0.459 37 W N 0.642 122.061 121.300 0.198 0.000 2.975 37 W HA 0.548 5.208 4.660 0.000 0.000 0.342 37 W C -1.225 175.419 176.519 0.208 0.000 1.168 37 W CA -0.906 56.553 57.345 0.189 0.000 1.141 37 W CB 0.352 29.926 29.460 0.189 0.000 1.445 37 W HN 0.259 nan 8.180 nan 0.000 0.560 38 D N 1.562 122.152 120.400 0.315 0.000 2.255 38 D HA 0.565 5.205 4.640 -0.000 0.000 0.249 38 D C -0.815 175.694 176.300 0.348 0.000 1.078 38 D CA 0.429 54.510 54.000 0.135 0.000 0.896 38 D CB 0.723 41.593 40.800 0.116 0.000 1.194 38 D HN 0.393 nan 8.370 nan 0.000 0.429 39 F N -0.997 118.954 119.950 0.003 0.000 2.708 39 F HA 0.344 4.871 4.527 -0.000 0.000 0.309 39 F C 0.821 176.621 175.800 -0.001 0.000 1.120 39 F CA -1.222 56.803 58.000 0.042 0.000 0.978 39 F CB 1.084 40.135 39.000 0.085 0.000 1.283 39 F HN 0.151 nan 8.300 nan 0.000 0.439 40 K N 1.443 121.951 120.400 0.180 0.000 2.071 40 K HA -0.271 4.049 4.320 -0.000 0.000 0.217 40 K C 0.539 177.134 176.600 -0.008 0.000 1.054 40 K CA 2.765 59.093 56.287 0.068 0.000 0.937 40 K CB -0.358 32.202 32.500 0.101 0.000 0.719 40 K HN 0.904 nan 8.250 nan 0.000 0.454 41 N N 0.645 119.398 118.700 0.088 0.000 2.314 41 N HA -0.031 4.709 4.740 -0.000 0.000 0.200 41 N C -0.470 174.915 175.510 -0.208 0.000 1.135 41 N CA -0.411 52.651 53.050 0.020 0.000 0.835 41 N CB 0.151 38.732 38.487 0.157 0.000 0.989 41 N HN 0.118 nan 8.380 nan 0.000 0.478 42 N N 2.230 120.468 118.700 -0.771 0.000 2.508 42 N HA 0.067 4.807 4.740 -0.000 0.000 0.253 42 N C -0.977 174.258 175.510 -0.459 0.000 1.145 42 N CA -0.039 52.391 53.050 -1.035 0.000 0.973 42 N CB -0.018 37.387 38.487 -1.802 0.000 1.305 42 N HN 0.243 nan 8.380 nan 0.000 0.506 43 R N -0.413 119.933 120.500 -0.258 0.000 2.692 43 R HA 0.365 4.705 4.340 -0.000 0.000 0.269 43 R C -0.502 175.743 176.300 -0.092 0.000 1.030 43 R CA -0.918 55.093 56.100 -0.148 0.000 0.882 43 R CB -0.231 30.000 30.300 -0.115 0.000 1.250 43 R HN 0.038 nan 8.270 nan 0.000 0.465 44 T N 0.270 114.795 114.554 -0.048 0.000 2.932 44 T HA 0.108 4.457 4.350 -0.000 0.000 0.312 44 T C 0.266 174.935 174.700 -0.052 0.000 1.071 44 T CA 0.017 62.111 62.100 -0.010 0.000 1.128 44 T CB 0.329 69.229 68.868 0.052 0.000 0.984 44 T HN 0.623 nan 8.240 nan 0.000 0.549 45 K N 2.476 122.816 120.400 -0.101 0.000 2.404 45 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 45 K C -0.444 175.862 176.600 -0.489 0.000 1.023 45 K CA 0.279 56.390 56.287 -0.293 0.000 1.094 45 K CB 0.312 32.576 32.500 -0.393 0.000 0.841 45 K HN 0.557 nan 8.250 nan 0.000 0.523 46 Y N 0.776 121.039 120.300 -0.062 0.000 2.387 46 Y HA 0.373 4.923 4.550 -0.000 0.000 0.336 46 Y C 0.359 176.237 175.900 -0.037 0.000 1.067 46 Y CA -1.417 56.652 58.100 -0.053 0.000 1.114 46 Y CB 1.139 39.562 38.460 -0.061 0.000 1.208 46 Y HN -0.082 nan 8.280 nan 0.000 0.458 47 A N 2.139 125.009 122.820 0.084 0.000 2.511 47 A HA 0.458 4.778 4.320 -0.000 0.000 0.242 47 A C 0.273 177.899 177.584 0.070 0.000 1.069 47 A CA 0.622 52.684 52.037 0.042 0.000 0.763 47 A CB -0.005 19.004 19.000 0.016 0.000 1.001 47 A HN 0.699 nan 8.150 nan 0.000 0.498 48 T N 0.877 115.459 114.554 0.046 0.000 2.957 48 T HA 0.371 4.721 4.350 -0.000 0.000 0.336 48 T C 0.258 174.968 174.700 0.016 0.000 1.462 48 T CA -0.615 61.534 62.100 0.083 0.000 1.073 48 T CB 0.945 69.900 68.868 0.145 0.000 1.319 48 T HN 0.624 nan 8.240 nan 0.000 0.485 49 K N 1.597 121.966 120.400 -0.052 0.000 2.400 49 K HA 0.172 4.492 4.320 -0.000 0.000 0.194 49 K C -0.354 176.067 176.600 -0.298 0.000 1.033 49 K CA 0.466 56.564 56.287 -0.316 0.000 1.021 49 K CB 0.256 32.285 32.500 -0.784 0.000 0.808 49 K HN 0.470 nan 8.250 nan 0.000 0.505 50 Y N 0.894 121.219 120.300 0.042 0.000 2.568 50 Y HA 0.343 4.893 4.550 -0.000 0.000 0.327 50 Y C -0.116 175.809 175.900 0.042 0.000 1.163 50 Y CA -1.302 56.837 58.100 0.063 0.000 1.219 50 Y CB 0.991 39.489 38.460 0.065 0.000 1.308 50 Y HN -0.309 nan 8.280 nan 0.000 0.503 51 K N 1.899 122.431 120.400 0.220 0.000 2.535 51 K HA 0.474 4.794 4.320 -0.000 0.000 0.253 51 K C -1.557 175.105 176.600 0.103 0.000 0.953 51 K CA -0.373 55.987 56.287 0.122 0.000 0.863 51 K CB 0.565 33.111 32.500 0.076 0.000 1.111 51 K HN 0.702 nan 8.250 nan 0.000 0.431 52 M N 3.668 123.318 119.600 0.084 0.000 2.184 52 M HA 0.221 4.701 4.480 -0.000 0.000 0.351 52 M C 0.308 176.630 176.300 0.037 0.000 1.395 52 M CA -0.414 54.922 55.300 0.059 0.000 1.117 52 M CB 1.203 33.849 32.600 0.075 0.000 1.708 52 M HN 0.736 nan 8.290 nan 0.000 0.468 53 A N 3.173 126.005 122.820 0.020 0.000 2.567 53 A HA -0.044 4.276 4.320 -0.000 0.000 0.240 53 A C 1.170 178.757 177.584 0.006 0.000 1.053 53 A CA -0.132 51.911 52.037 0.010 0.000 0.755 53 A CB -0.026 18.974 19.000 -0.001 0.000 0.978 53 A HN 0.964 nan 8.150 nan 0.000 0.507 54 N N 1.782 120.484 118.700 0.004 0.000 2.453 54 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 54 N C 1.164 176.674 175.510 -0.000 0.000 1.041 54 N CA 1.402 54.453 53.050 0.001 0.000 0.900 54 N CB 0.195 38.681 38.487 -0.002 0.000 0.961 54 N HN 0.884 nan 8.380 nan 0.000 0.443 55 E N -0.416 119.782 120.200 -0.003 0.000 2.465 55 E HA 0.109 4.459 4.350 -0.000 0.000 0.195 55 E C 0.292 176.881 176.600 -0.018 0.000 1.028 55 E CA -0.308 56.087 56.400 -0.008 0.000 0.899 55 E CB -0.683 29.014 29.700 -0.005 0.000 1.032 55 E HN 0.222 nan 8.360 nan 0.000 0.468 56 T N 2.305 116.846 114.554 -0.021 0.000 2.934 56 T HA 0.220 4.570 4.350 -0.000 0.000 0.306 56 T C 0.254 174.929 174.700 -0.042 0.000 1.042 56 T CA 0.356 62.435 62.100 -0.035 0.000 1.145 56 T CB 0.590 69.433 68.868 -0.042 0.000 0.982 56 T HN 0.322 nan 8.240 nan 0.000 0.544 57 K N 1.824 122.199 120.400 -0.042 0.000 2.245 57 K HA 0.479 4.799 4.320 -0.000 0.000 0.234 57 K C 0.262 176.835 176.600 -0.045 0.000 1.021 57 K CA -0.979 55.285 56.287 -0.038 0.000 0.898 57 K CB 1.262 33.741 32.500 -0.035 0.000 1.163 57 K HN 0.767 nan 8.250 nan 0.000 0.459 58 E N -0.103 120.082 120.200 -0.026 0.000 2.263 58 E HA 0.115 4.465 4.350 -0.000 0.000 0.264 58 E C 0.236 176.788 176.600 -0.080 0.000 0.923 58 E CA -0.721 55.659 56.400 -0.033 0.000 0.802 58 E CB 1.865 31.569 29.700 0.008 0.000 1.228 58 E HN 0.572 nan 8.360 nan 0.000 0.417 59 Q N 0.938 120.669 119.800 -0.116 0.000 2.096 59 Q HA 0.040 4.380 4.340 -0.000 0.000 0.197 59 Q C -0.468 175.200 176.000 -0.553 0.000 0.964 59 Q CA 0.853 56.438 55.803 -0.363 0.000 0.838 59 Q CB 0.114 28.546 28.738 -0.511 0.000 0.906 59 Q HN 0.541 nan 8.270 nan 0.000 0.444 60 F N 1.113 120.988 119.950 -0.125 0.000 2.420 60 F HA 0.353 4.879 4.527 -0.000 0.000 0.342 60 F C -0.107 175.511 175.800 -0.303 0.000 1.113 60 F CA -0.810 57.095 58.000 -0.159 0.000 1.059 60 F CB 1.354 40.304 39.000 -0.083 0.000 1.128 60 F HN -0.262 nan 8.300 nan 0.000 0.475 61 K N 5.005 125.224 120.400 -0.301 0.000 2.307 61 K HA 0.346 4.666 4.320 -0.000 0.000 0.240 61 K C -0.702 175.743 176.600 -0.258 0.000 1.214 61 K CA 0.005 55.814 56.287 -0.797 0.000 1.149 61 K CB -0.006 32.113 32.500 -0.636 0.000 1.668 61 K HN 0.549 nan 8.250 nan 0.000 0.314 62 L N 2.580 123.787 121.223 -0.027 0.000 2.352 62 L HA 0.611 4.951 4.340 -0.000 0.000 0.269 62 L C 0.217 177.189 176.870 0.170 0.000 1.034 62 L CA -1.223 53.679 54.840 0.103 0.000 0.806 62 L CB 1.041 43.169 42.059 0.116 0.000 1.244 62 L HN 0.371 nan 8.230 nan 0.000 0.447 63 I N -1.898 118.754 120.570 0.137 0.000 2.934 63 I HA 0.594 4.764 4.170 -0.000 0.000 0.306 63 I C 0.834 177.021 176.117 0.117 0.000 1.110 63 I CA -0.875 60.496 61.300 0.118 0.000 1.019 63 I CB 2.039 40.112 38.000 0.123 0.000 1.227 63 I HN 0.629 nan 8.210 nan 0.000 0.434 64 A N 2.920 125.793 122.820 0.090 0.000 1.884 64 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 64 A C 2.101 179.775 177.584 0.151 0.000 1.197 64 A CA 1.827 53.926 52.037 0.103 0.000 0.637 64 A CB -0.688 18.351 19.000 0.065 0.000 0.827 64 A HN 0.824 nan 8.150 nan 0.000 0.450 65 K N -0.600 119.867 120.400 0.111 0.000 2.032 65 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 65 K C 1.984 178.634 176.600 0.083 0.000 1.048 65 K CA 1.840 58.182 56.287 0.091 0.000 0.927 65 K CB -0.463 32.081 32.500 0.073 0.000 0.712 65 K HN 0.630 nan 8.250 nan 0.000 0.441 66 E N 0.291 120.544 120.200 0.088 0.000 2.106 66 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 66 E C 1.981 178.612 176.600 0.051 0.000 0.984 66 E CA 0.921 57.358 56.400 0.061 0.000 0.806 66 E CB -0.388 29.351 29.700 0.065 0.000 0.750 66 E HN 0.334 nan 8.360 nan 0.000 0.458 67 Y N 0.492 120.794 120.300 0.003 0.000 2.128 67 Y HA -0.194 4.356 4.550 -0.000 0.000 0.284 67 Y C 2.126 178.022 175.900 -0.008 0.000 1.154 67 Y CA 2.287 60.380 58.100 -0.012 0.000 1.149 67 Y CB -0.837 37.612 38.460 -0.018 0.000 0.976 67 Y HN 0.096 nan 8.280 nan 0.000 0.505 68 A N 0.975 123.778 122.820 -0.028 0.000 1.908 68 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 68 A C 2.448 179.950 177.584 -0.137 0.000 1.181 68 A CA 1.873 53.856 52.037 -0.091 0.000 0.627 68 A CB -0.896 18.142 19.000 0.064 0.000 0.818 68 A HN 0.577 nan 8.150 nan 0.000 0.445 69 R N -0.048 120.404 120.500 -0.080 0.000 2.070 69 R HA -0.185 4.155 4.340 -0.000 0.000 0.233 69 R C 2.416 178.653 176.300 -0.105 0.000 1.137 69 R CA 2.108 58.169 56.100 -0.065 0.000 0.945 69 R CB -0.449 29.833 30.300 -0.029 0.000 0.845 69 R HN 0.746 nan 8.270 nan 0.000 0.430 70 M N -0.333 119.182 119.600 -0.141 0.000 2.213 70 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 70 M C 1.230 177.413 176.300 -0.194 0.000 1.062 70 M CA 1.639 56.849 55.300 -0.150 0.000 1.105 70 M CB -0.290 32.224 32.600 -0.143 0.000 1.385 70 M HN -0.058 nan 8.290 nan 0.000 0.417 71 E N 1.387 121.402 120.200 -0.308 0.000 2.112 71 E HA 0.044 4.394 4.350 -0.000 0.000 0.190 71 E C 2.427 178.944 176.600 -0.138 0.000 0.979 71 E CA 1.432 57.669 56.400 -0.271 0.000 0.814 71 E CB -0.438 29.001 29.700 -0.435 0.000 0.762 71 E HN 0.667 nan 8.360 nan 0.000 0.460 72 A N 1.167 123.918 122.820 -0.114 0.000 1.940 72 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 72 A C 2.574 180.140 177.584 -0.030 0.000 1.176 72 A CA 1.381 53.393 52.037 -0.043 0.000 0.631 72 A CB -0.644 18.337 19.000 -0.032 0.000 0.814 72 A HN 0.133 nan 8.150 nan 0.000 0.446 73 V N 0.041 119.925 119.914 -0.051 0.000 2.407 73 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 73 V C 2.435 178.501 176.094 -0.046 0.000 1.055 73 V CA 2.361 64.637 62.300 -0.041 0.000 1.049 73 V CB -0.624 31.171 31.823 -0.046 0.000 0.662 73 V HN 0.574 nan 8.190 nan 0.000 0.455 74 K N -0.220 120.139 120.400 -0.068 0.000 2.057 74 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 74 K C 1.915 178.453 176.600 -0.103 0.000 1.050 74 K CA 1.642 57.879 56.287 -0.084 0.000 0.935 74 K CB -0.333 32.111 32.500 -0.094 0.000 0.715 74 K HN 0.412 nan 8.250 nan 0.000 0.439 75 D N 1.171 121.529 120.400 -0.071 0.000 2.123 75 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 75 D C 1.770 178.094 176.300 0.040 0.000 0.992 75 D CA 1.169 55.140 54.000 -0.048 0.000 0.833 75 D CB -0.167 40.739 40.800 0.177 0.000 0.954 75 D HN 0.271 nan 8.370 nan 0.000 0.455 76 E N 0.438 120.672 120.200 0.057 0.000 2.049 76 E HA -0.197 4.153 4.350 -0.000 0.000 0.198 76 E C 2.269 178.884 176.600 0.024 0.000 1.007 76 E CA 0.983 57.421 56.400 0.063 0.000 0.809 76 E CB -0.037 29.679 29.700 0.027 0.000 0.749 76 E HN 0.273 nan 8.360 nan 0.000 0.450 77 R N 0.567 121.051 120.500 -0.026 0.000 2.081 77 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 77 R C 2.556 178.808 176.300 -0.080 0.000 1.131 77 R CA 1.405 57.479 56.100 -0.043 0.000 0.960 77 R CB -0.383 29.886 30.300 -0.052 0.000 0.856 77 R HN 0.296 nan 8.270 nan 0.000 0.436 78 Q N 0.505 120.204 119.800 -0.169 0.000 1.993 78 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 78 Q C 1.875 177.699 176.000 -0.294 0.000 0.984 78 Q CA 1.720 57.345 55.803 -0.298 0.000 0.837 78 Q CB -0.115 28.311 28.738 -0.519 0.000 0.902 78 Q HN 0.311 nan 8.270 nan 0.000 0.423 79 F N -0.075 119.812 119.950 -0.105 0.000 2.234 79 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 79 F C 2.283 178.059 175.800 -0.040 0.000 1.087 79 F CA 0.598 58.531 58.000 -0.112 0.000 1.340 79 F CB -0.385 38.524 39.000 -0.152 0.000 1.031 79 F HN 0.281 nan 8.300 nan 0.000 0.500 80 G N -0.490 108.384 108.800 0.123 0.000 2.421 80 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 80 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 80 G C 1.827 176.760 174.900 0.055 0.000 1.171 80 G CA 1.105 46.254 45.100 0.080 0.000 0.775 80 G HN 0.300 nan 8.290 nan 0.000 0.543 81 S N 0.474 116.183 115.700 0.015 0.000 2.359 81 S HA -0.040 4.430 4.470 -0.000 0.000 0.224 81 S C 2.336 176.938 174.600 0.004 0.000 1.035 81 S CA 0.995 59.192 58.200 -0.004 0.000 1.018 81 S CB -0.283 62.893 63.200 -0.040 0.000 0.876 81 S HN 0.312 nan 8.310 nan 0.000 0.448 82 L N 1.158 122.382 121.223 0.002 0.000 1.994 82 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 82 L C 2.715 179.689 176.870 0.173 0.000 1.071 82 L CA 1.378 56.217 54.840 -0.002 0.000 0.745 82 L CB -0.604 41.476 42.059 0.034 0.000 0.892 82 L HN 0.358 nan 8.230 nan 0.000 0.431 83 Q N -0.783 119.145 119.800 0.214 0.000 2.172 83 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 83 Q C 1.253 177.342 176.000 0.149 0.000 0.964 83 Q CA 1.379 57.314 55.803 0.221 0.000 0.855 83 Q CB 0.061 28.912 28.738 0.188 0.000 0.918 83 Q HN 0.485 nan 8.270 nan 0.000 0.444 84 D N -0.204 120.261 120.400 0.108 0.000 2.541 84 D HA 0.094 4.734 4.640 -0.000 0.000 0.261 84 D C 1.655 177.996 176.300 0.068 0.000 1.415 84 D CA 0.971 55.017 54.000 0.077 0.000 1.059 84 D CB -0.217 40.617 40.800 0.057 0.000 0.971 84 D HN 0.024 nan 8.370 nan 0.000 0.308 85 A N 0.438 123.287 122.820 0.048 0.000 1.883 85 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 85 A C 2.508 180.119 177.584 0.046 0.000 1.186 85 A CA 1.522 53.581 52.037 0.038 0.000 0.624 85 A CB -1.229 17.784 19.000 0.022 0.000 0.822 85 A HN 0.438 nan 8.150 nan 0.000 0.444 86 L N -0.908 120.340 121.223 0.042 0.000 2.131 86 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 86 L C 2.713 179.652 176.870 0.114 0.000 1.092 86 L CA 1.728 56.594 54.840 0.044 0.000 0.759 86 L CB -0.812 41.230 42.059 -0.029 0.000 0.903 86 L HN 0.362 nan 8.230 nan 0.000 0.435 87 T N -1.167 113.480 114.554 0.155 0.000 2.857 87 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 87 T C 2.036 176.799 174.700 0.105 0.000 1.048 87 T CA 0.814 63.023 62.100 0.182 0.000 1.139 87 T CB -0.116 68.864 68.868 0.186 0.000 0.874 87 T HN 0.244 nan 8.240 nan 0.000 0.455 88 R N 0.693 121.241 120.500 0.080 0.000 2.148 88 R HA 0.067 4.407 4.340 -0.000 0.000 0.227 88 R C 1.776 178.107 176.300 0.052 0.000 1.103 88 R CA 0.926 57.060 56.100 0.056 0.000 0.983 88 R CB -0.240 30.087 30.300 0.045 0.000 0.874 88 R HN 0.377 nan 8.270 nan 0.000 0.451 89 L N 0.134 121.391 121.223 0.058 0.000 2.591 89 L HA 0.077 4.417 4.340 -0.000 0.000 0.228 89 L C 0.548 177.457 176.870 0.064 0.000 1.133 89 L CA 0.246 55.117 54.840 0.052 0.000 0.880 89 L CB -0.351 41.734 42.059 0.045 0.000 1.033 89 L HN 0.382 nan 8.230 nan 0.000 0.450 90 N N -0.397 118.350 118.700 0.079 0.000 2.754 90 N HA -0.243 4.497 4.740 -0.000 0.000 0.248 90 N C 1.087 176.666 175.510 0.116 0.000 1.093 90 N CA 0.197 53.299 53.050 0.088 0.000 0.699 90 N CB -0.164 38.362 38.487 0.066 0.000 1.016 90 N HN 0.438 nan 8.380 nan 0.000 0.552 91 A N -0.369 122.530 122.820 0.132 0.000 2.070 91 A HA 0.002 4.322 4.320 -0.000 0.000 0.220 91 A C 2.164 179.878 177.584 0.217 0.000 1.159 91 A CA 1.877 53.999 52.037 0.142 0.000 0.656 91 A CB -0.495 18.558 19.000 0.089 0.000 0.800 91 A HN 0.605 nan 8.150 nan 0.000 0.453 92 G N -1.233 107.722 108.800 0.259 0.000 2.484 92 G HA2 0.094 4.054 3.960 -0.000 0.000 0.218 92 G HA3 0.094 4.054 3.960 -0.000 0.000 0.218 92 G C 1.266 176.366 174.900 0.333 0.000 1.130 92 G CA 1.170 46.452 45.100 0.302 0.000 0.784 92 G HN 0.329 nan 8.290 nan 0.000 0.543 93 V N 0.234 120.279 119.914 0.218 0.000 2.521 93 V HA 0.088 4.208 4.120 -0.000 0.000 0.239 93 V C 1.806 178.000 176.094 0.166 0.000 1.053 93 V CA 0.395 62.799 62.300 0.173 0.000 1.073 93 V CB -0.259 31.628 31.823 0.106 0.000 0.746 93 V HN 0.182 nan 8.190 nan 0.000 0.476 94 R N 0.858 121.447 120.500 0.149 0.000 4.806 94 R HA 0.179 4.519 4.340 -0.000 0.000 0.194 94 R C -0.759 175.636 176.300 0.158 0.000 2.211 94 R CA -0.005 56.171 56.100 0.126 0.000 1.801 94 R CB -0.580 29.778 30.300 0.097 0.000 1.251 94 R HN 0.278 nan 8.270 nan 0.000 0.747 95 V N 0.175 120.206 119.914 0.195 0.000 2.769 95 V HA 0.095 4.215 4.120 -0.000 0.000 0.312 95 V C 0.352 176.579 176.094 0.221 0.000 1.061 95 V CA -1.127 61.320 62.300 0.246 0.000 0.931 95 V CB 1.969 33.993 31.823 0.336 0.000 1.010 95 V HN 0.415 nan 8.190 nan 0.000 0.433 96 H N 5.376 124.564 119.070 0.195 0.000 2.928 96 H HA 0.071 4.627 4.556 -0.000 0.000 0.338 96 H C -1.831 173.589 175.328 0.155 0.000 1.047 96 H CA -0.973 55.173 56.048 0.162 0.000 1.435 96 H CB 1.860 31.713 29.762 0.151 0.000 1.428 96 H HN 0.351 nan 8.280 nan 0.000 0.590 97 P HA -0.210 nan 4.420 nan 0.000 0.217 97 P C 1.244 178.672 177.300 0.214 0.000 1.158 97 P CA 2.161 65.305 63.100 0.073 0.000 0.887 97 P CB 0.260 31.943 31.700 -0.028 0.000 0.792 98 K N -1.716 118.950 120.400 0.442 0.000 2.063 98 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 98 K C 2.211 178.918 176.600 0.178 0.000 1.048 98 K CA 1.416 57.857 56.287 0.256 0.000 0.928 98 K CB -0.683 31.927 32.500 0.182 0.000 0.713 98 K HN 0.304 nan 8.250 nan 0.000 0.442 99 W N 2.651 124.003 121.300 0.086 0.000 2.436 99 W HA -0.143 4.517 4.660 -0.000 0.000 0.284 99 W C 1.671 178.145 176.519 -0.075 0.000 1.225 99 W CA 0.990 58.341 57.345 0.010 0.000 1.271 99 W CB -0.153 29.346 29.460 0.066 0.000 1.114 99 W HN 0.201 nan 8.180 nan 0.000 0.559 100 N N 0.899 119.585 118.700 -0.025 0.000 2.223 100 N HA -0.201 4.539 4.740 -0.000 0.000 0.185 100 N C 1.296 176.664 175.510 -0.236 0.000 1.016 100 N CA 1.510 54.449 53.050 -0.185 0.000 0.863 100 N CB -0.153 38.321 38.487 -0.022 0.000 0.983 100 N HN 0.143 nan 8.380 nan 0.000 0.429 101 E N 0.111 120.187 120.200 -0.206 0.000 2.076 101 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 101 E C 1.948 178.275 176.600 -0.454 0.000 0.979 101 E CA 0.858 57.099 56.400 -0.264 0.000 0.807 101 E CB -0.846 28.786 29.700 -0.113 0.000 0.761 101 E HN 0.362 nan 8.360 nan 0.000 0.454 102 T N 1.833 116.075 114.554 -0.520 0.000 2.699 102 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 102 T C 1.723 175.968 174.700 -0.758 0.000 1.036 102 T CA 1.231 62.902 62.100 -0.714 0.000 1.147 102 T CB -0.079 68.257 68.868 -0.885 0.000 0.862 102 T HN 0.038 nan 8.240 nan 0.000 0.446 103 M N 0.903 120.039 119.600 -0.774 0.000 2.374 103 M HA 0.048 4.528 4.480 -0.000 0.000 0.264 103 M C 1.947 178.140 176.300 -0.179 0.000 1.067 103 M CA 1.116 56.138 55.300 -0.463 0.000 1.103 103 M CB -0.843 31.499 32.600 -0.430 0.000 1.402 103 M HN 0.272 nan 8.290 nan 0.000 0.444 104 K N -0.405 119.770 120.400 -0.374 0.000 2.057 104 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 104 K C 2.040 178.585 176.600 -0.091 0.000 1.049 104 K CA 1.163 57.258 56.287 -0.319 0.000 0.931 104 K CB -0.122 32.083 32.500 -0.492 0.000 0.714 104 K HN 0.153 nan 8.250 nan 0.000 0.440 105 V N 0.644 120.289 119.914 -0.448 0.000 2.346 105 V HA -0.172 3.948 4.120 -0.000 0.000 0.244 105 V C 2.240 178.107 176.094 -0.377 0.000 1.037 105 V CA 1.200 63.113 62.300 -0.645 0.000 1.029 105 V CB -0.194 30.958 31.823 -1.118 0.000 0.663 105 V HN 0.052 nan 8.190 nan 0.000 0.454 106 V N -0.318 119.428 119.914 -0.281 0.000 2.255 106 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 106 V C 2.684 178.925 176.094 0.245 0.000 1.051 106 V CA 2.599 64.880 62.300 -0.033 0.000 1.018 106 V CB -0.651 31.108 31.823 -0.107 0.000 0.641 106 V HN 0.574 nan 8.190 nan 0.000 0.445 107 S N -0.231 115.621 115.700 0.253 0.000 2.368 107 S HA -0.200 4.270 4.470 -0.000 0.000 0.224 107 S C 1.908 176.749 174.600 0.401 0.000 1.029 107 S CA 1.935 60.385 58.200 0.416 0.000 0.988 107 S CB -0.458 62.992 63.200 0.416 0.000 0.838 107 S HN 0.702 nan 8.310 nan 0.000 0.462 108 N N -0.377 118.544 118.700 0.369 0.000 2.270 108 N HA 0.026 4.766 4.740 -0.000 0.000 0.181 108 N C 1.342 177.190 175.510 0.563 0.000 1.016 108 N CA 1.161 54.442 53.050 0.386 0.000 0.870 108 N CB -0.288 38.379 38.487 0.299 0.000 0.979 108 N HN 0.288 nan 8.380 nan 0.000 0.431 109 F N 0.803 120.959 119.950 0.344 0.000 2.163 109 F HA 0.052 4.579 4.527 -0.000 0.000 0.297 109 F C 2.071 178.205 175.800 0.557 0.000 1.094 109 F CA 0.421 58.704 58.000 0.471 0.000 1.290 109 F CB -0.869 38.382 39.000 0.417 0.000 1.017 109 F HN 0.108 nan 8.300 nan 0.000 0.483 110 L N 0.071 121.704 121.223 0.684 0.000 2.046 110 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 110 L C 2.453 179.517 176.870 0.325 0.000 1.077 110 L CA 1.687 56.860 54.840 0.556 0.000 0.747 110 L CB -0.471 41.825 42.059 0.395 0.000 0.896 110 L HN 0.219 nan 8.230 nan 0.000 0.432 111 E N -0.613 119.794 120.200 0.344 0.000 2.114 111 E HA -0.287 4.063 4.350 -0.000 0.000 0.199 111 E C 2.152 178.912 176.600 0.265 0.000 1.008 111 E CA 1.941 58.505 56.400 0.273 0.000 0.810 111 E CB -0.069 29.795 29.700 0.272 0.000 0.739 111 E HN 0.359 nan 8.360 nan 0.000 0.456 112 V N 0.218 120.327 119.914 0.325 0.000 2.515 112 V HA -0.107 4.013 4.120 -0.000 0.000 0.250 112 V C 2.111 178.335 176.094 0.216 0.000 1.058 112 V CA 2.008 64.501 62.300 0.321 0.000 1.064 112 V CB -0.360 31.720 31.823 0.428 0.000 0.675 112 V HN 0.511 nan 8.190 nan 0.000 0.461 113 G N -0.765 108.059 108.800 0.040 0.000 2.404 113 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 113 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 113 G C 1.411 176.281 174.900 -0.050 0.000 1.174 113 G CA 0.706 45.582 45.100 -0.374 0.000 0.780 113 G HN 0.516 nan 8.290 nan 0.000 0.537 114 E N 0.055 120.239 120.200 -0.028 0.000 2.058 114 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 114 E C 2.046 178.680 176.600 0.056 0.000 0.997 114 E CA 0.979 57.404 56.400 0.042 0.000 0.801 114 E CB -0.555 29.218 29.700 0.121 0.000 0.746 114 E HN 0.601 nan 8.360 nan 0.000 0.450 115 Y N 2.099 122.415 120.300 0.026 0.000 2.097 115 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 115 Y C 2.005 177.924 175.900 0.032 0.000 1.152 115 Y CA 2.114 60.227 58.100 0.022 0.000 1.136 115 Y CB -0.262 38.227 38.460 0.050 0.000 0.975 115 Y HN 0.029 nan 8.280 nan 0.000 0.498 116 N N 0.045 118.800 118.700 0.092 0.000 2.289 116 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 116 N C 1.731 177.239 175.510 -0.004 0.000 1.016 116 N CA 1.059 54.140 53.050 0.051 0.000 0.872 116 N CB -0.396 38.217 38.487 0.209 0.000 0.973 116 N HN 0.501 nan 8.380 nan 0.000 0.433 117 A N 0.367 123.173 122.820 -0.023 0.000 2.019 117 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 117 A C 2.024 179.462 177.584 -0.243 0.000 1.164 117 A CA 0.810 52.713 52.037 -0.224 0.000 0.644 117 A CB -0.577 18.248 19.000 -0.292 0.000 0.805 117 A HN 0.246 nan 8.150 nan 0.000 0.449 118 I N -0.269 120.148 120.570 -0.255 0.000 2.142 118 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 118 I C 2.968 178.952 176.117 -0.221 0.000 1.078 118 I CA 1.228 62.372 61.300 -0.260 0.000 1.343 118 I CB -0.437 37.352 38.000 -0.352 0.000 1.046 118 I HN 0.331 nan 8.210 nan 0.000 0.405 119 A N 0.733 123.399 122.820 -0.256 0.000 1.930 119 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 119 A C 2.551 180.020 177.584 -0.192 0.000 1.175 119 A CA 1.740 53.659 52.037 -0.196 0.000 0.627 119 A CB -0.844 18.053 19.000 -0.172 0.000 0.815 119 A HN 0.434 nan 8.150 nan 0.000 0.443 120 A N -0.069 122.639 122.820 -0.185 0.000 1.883 120 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 120 A C 2.406 179.827 177.584 -0.273 0.000 1.186 120 A CA 2.626 54.535 52.037 -0.214 0.000 0.624 120 A CB -1.451 17.423 19.000 -0.210 0.000 0.822 120 A HN 0.772 nan 8.150 nan 0.000 0.444 121 T N -2.956 111.451 114.554 -0.245 0.000 3.035 121 T HA 0.140 4.490 4.350 -0.000 0.000 0.268 121 T C 1.740 176.393 174.700 -0.077 0.000 1.109 121 T CA 1.208 63.173 62.100 -0.225 0.000 1.119 121 T CB -0.405 68.359 68.868 -0.175 0.000 0.900 121 T HN 0.407 nan 8.240 nan 0.000 0.503 122 G N 1.109 109.875 108.800 -0.057 0.000 2.403 122 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.216 122 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.216 122 G C 1.488 176.277 174.900 -0.185 0.000 1.154 122 G CA 0.627 45.743 45.100 0.026 0.000 0.784 122 G HN 0.496 nan 8.290 nan 0.000 0.538 123 M N -0.138 119.274 119.600 -0.314 0.000 2.175 123 M HA 0.148 4.628 4.480 -0.000 0.000 0.264 123 M C 2.322 178.385 176.300 -0.394 0.000 1.063 123 M CA 1.094 56.084 55.300 -0.518 0.000 1.119 123 M CB -0.085 32.123 32.600 -0.653 0.000 1.377 123 M HN 0.188 nan 8.290 nan 0.000 0.415 124 L N -0.881 120.087 121.223 -0.424 0.000 2.109 124 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 124 L C 2.329 179.015 176.870 -0.307 0.000 1.086 124 L CA 0.884 55.330 54.840 -0.657 0.000 0.760 124 L CB -0.852 40.338 42.059 -1.447 0.000 0.910 124 L HN 0.595 nan 8.230 nan 0.000 0.437 125 W N 1.582 122.737 121.300 -0.242 0.000 2.342 125 W HA -0.250 4.410 4.660 0.000 0.000 0.297 125 W C 2.097 178.643 176.519 0.045 0.000 1.213 125 W CA 1.606 58.990 57.345 0.065 0.000 1.251 125 W CB -0.619 28.855 29.460 0.025 0.000 1.136 125 W HN 0.226 nan 8.180 nan 0.000 0.526 126 D N -0.512 119.859 120.400 -0.049 0.000 2.144 126 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 126 D C 1.867 178.194 176.300 0.045 0.000 0.978 126 D CA 1.746 55.688 54.000 -0.097 0.000 0.833 126 D CB 0.040 40.798 40.800 -0.070 0.000 0.961 126 D HN 0.171 nan 8.370 nan 0.000 0.470 127 S N 0.490 116.218 115.700 0.047 0.000 2.355 127 S HA 0.037 4.507 4.470 -0.000 0.000 0.222 127 S C 1.190 175.859 174.600 0.116 0.000 1.031 127 S CA 0.573 58.815 58.200 0.069 0.000 0.993 127 S CB -0.170 63.039 63.200 0.014 0.000 0.859 127 S HN 0.457 nan 8.310 nan 0.000 0.453 128 A N 1.603 124.550 122.820 0.210 0.000 2.498 128 A HA 0.203 4.523 4.320 -0.000 0.000 0.239 128 A C 0.989 178.653 177.584 0.133 0.000 1.068 128 A CA -0.089 52.078 52.037 0.216 0.000 0.766 128 A CB 0.226 19.416 19.000 0.316 0.000 1.003 128 A HN 0.246 nan 8.150 nan 0.000 0.497 129 Q N 0.560 120.403 119.800 0.072 0.000 2.402 129 Q HA 0.200 4.540 4.340 -0.000 0.000 0.231 129 Q C 0.826 176.839 176.000 0.022 0.000 0.888 129 Q CA 0.934 56.752 55.803 0.024 0.000 0.938 129 Q CB -0.023 28.707 28.738 -0.013 0.000 1.086 129 Q HN 0.857 nan 8.270 nan 0.000 0.543 130 A N 0.819 123.654 122.820 0.026 0.000 2.409 130 A HA 0.513 4.833 4.320 -0.000 0.000 0.262 130 A C 1.255 178.847 177.584 0.014 0.000 1.113 130 A CA 0.582 52.625 52.037 0.010 0.000 0.790 130 A CB 0.542 19.536 19.000 -0.009 0.000 1.046 130 A HN 0.251 nan 8.150 nan 0.000 0.496 131 A N 1.971 124.798 122.820 0.013 0.000 1.940 131 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 131 A C 1.780 179.328 177.584 -0.059 0.000 1.176 131 A CA 1.966 54.005 52.037 0.005 0.000 0.631 131 A CB -0.496 18.511 19.000 0.011 0.000 0.814 131 A HN 0.918 nan 8.150 nan 0.000 0.446 132 E N -1.049 119.100 120.200 -0.086 0.000 2.106 132 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 132 E C 2.261 178.812 176.600 -0.082 0.000 0.984 132 E CA 1.284 57.634 56.400 -0.084 0.000 0.806 132 E CB -0.127 29.541 29.700 -0.053 0.000 0.750 132 E HN 0.826 nan 8.360 nan 0.000 0.458 133 Q N 1.073 120.815 119.800 -0.097 0.000 2.119 133 Q HA -0.157 4.183 4.340 -0.000 0.000 0.201 133 Q C 1.848 177.724 176.000 -0.207 0.000 0.972 133 Q CA 1.174 56.856 55.803 -0.202 0.000 0.847 133 Q CB 0.185 28.831 28.738 -0.153 0.000 0.903 133 Q HN 0.069 nan 8.270 nan 0.000 0.433 134 K N 0.243 120.634 120.400 -0.014 0.000 2.057 134 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 134 K C 1.898 178.434 176.600 -0.107 0.000 1.049 134 K CA 1.431 57.777 56.287 0.097 0.000 0.931 134 K CB -0.148 32.445 32.500 0.156 0.000 0.714 134 K HN 0.164 nan 8.250 nan 0.000 0.440 135 N N 0.347 118.964 118.700 -0.139 0.000 2.166 135 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 135 N C 1.774 177.194 175.510 -0.149 0.000 1.019 135 N CA 1.450 54.398 53.050 -0.171 0.000 0.856 135 N CB -0.290 38.136 38.487 -0.101 0.000 0.993 135 N HN 0.233 nan 8.380 nan 0.000 0.426 136 G N -1.049 107.666 108.800 -0.141 0.000 2.421 136 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 136 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 136 G C 1.298 176.133 174.900 -0.109 0.000 1.171 136 G CA 0.711 45.733 45.100 -0.130 0.000 0.775 136 G HN 0.446 nan 8.290 nan 0.000 0.543 137 Y N -0.330 119.922 120.300 -0.080 0.000 2.224 137 Y HA -0.069 4.481 4.550 -0.000 0.000 0.289 137 Y C 2.643 178.431 175.900 -0.187 0.000 1.146 137 Y CA 0.397 58.440 58.100 -0.095 0.000 1.182 137 Y CB -0.107 38.352 38.460 -0.001 0.000 0.983 137 Y HN 0.221 nan 8.280 nan 0.000 0.524 138 L N 0.479 121.604 121.223 -0.162 0.000 2.046 138 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 138 L C 2.437 179.098 176.870 -0.348 0.000 1.077 138 L CA 1.927 56.524 54.840 -0.406 0.000 0.747 138 L CB -0.938 40.730 42.059 -0.652 0.000 0.896 138 L HN 0.130 nan 8.230 nan 0.000 0.432 139 A N -1.021 121.618 122.820 -0.301 0.000 1.908 139 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 139 A C 2.339 179.763 177.584 -0.267 0.000 1.181 139 A CA 1.997 53.817 52.037 -0.360 0.000 0.627 139 A CB -0.759 18.129 19.000 -0.186 0.000 0.818 139 A HN 0.672 nan 8.150 nan 0.000 0.445 140 Q N -0.430 119.245 119.800 -0.209 0.000 2.119 140 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 140 Q C 1.933 177.741 176.000 -0.319 0.000 0.972 140 Q CA 1.661 57.241 55.803 -0.372 0.000 0.847 140 Q CB -0.232 28.202 28.738 -0.507 0.000 0.903 140 Q HN 0.404 nan 8.270 nan 0.000 0.433 141 V N 0.906 120.684 119.914 -0.226 0.000 2.282 141 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 141 V C 2.334 178.322 176.094 -0.176 0.000 1.057 141 V CA 1.431 63.631 62.300 -0.168 0.000 1.032 141 V CB -0.521 31.256 31.823 -0.077 0.000 0.645 141 V HN 0.470 nan 8.190 nan 0.000 0.447 142 L N -0.293 120.798 121.223 -0.220 0.000 2.093 142 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 142 L C 2.349 179.184 176.870 -0.059 0.000 1.085 142 L CA 1.985 56.727 54.840 -0.162 0.000 0.755 142 L CB -1.419 40.410 42.059 -0.382 0.000 0.904 142 L HN 0.424 nan 8.230 nan 0.000 0.435 143 D N -0.166 120.178 120.400 -0.095 0.000 2.117 143 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 143 D C 2.016 178.022 176.300 -0.490 0.000 0.982 143 D CA 0.854 54.752 54.000 -0.169 0.000 0.828 143 D CB 0.129 40.917 40.800 -0.021 0.000 0.967 143 D HN 0.294 nan 8.370 nan 0.000 0.464 144 E N 0.418 120.407 120.200 -0.352 0.000 2.268 144 E HA -0.053 4.297 4.350 -0.000 0.000 0.195 144 E C 2.388 178.898 176.600 -0.151 0.000 0.995 144 E CA 0.113 56.353 56.400 -0.267 0.000 0.836 144 E CB 0.002 29.569 29.700 -0.222 0.000 0.763 144 E HN 0.436 nan 8.360 nan 0.000 0.491 145 I N 0.626 121.115 120.570 -0.135 0.000 2.286 145 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 145 I C 2.770 178.851 176.117 -0.060 0.000 1.104 145 I CA 0.686 61.920 61.300 -0.110 0.000 1.397 145 I CB -0.174 37.801 38.000 -0.042 0.000 1.072 145 I HN 0.015 nan 8.210 nan 0.000 0.417 146 R N 0.670 121.181 120.500 0.020 0.000 2.083 146 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 146 R C 2.294 178.730 176.300 0.228 0.000 1.137 146 R CA 1.900 58.089 56.100 0.148 0.000 0.951 146 R CB -0.421 29.955 30.300 0.126 0.000 0.851 146 R HN 0.485 nan 8.270 nan 0.000 0.434 147 H N -1.163 117.945 119.070 0.064 0.000 2.421 147 H HA -0.061 4.495 4.556 -0.000 0.000 0.298 147 H C 1.951 177.321 175.328 0.070 0.000 1.087 147 H CA 1.359 57.433 56.048 0.043 0.000 1.330 147 H CB 0.103 29.869 29.762 0.006 0.000 1.388 147 H HN 0.286 nan 8.280 nan 0.000 0.526 148 T N -0.265 114.384 114.554 0.160 0.000 2.708 148 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 148 T C 1.556 176.361 174.700 0.175 0.000 1.037 148 T CA 1.502 63.677 62.100 0.126 0.000 1.146 148 T CB -0.364 68.531 68.868 0.045 0.000 0.865 148 T HN 0.597 nan 8.240 nan 0.000 0.435 149 H N 0.491 119.693 119.070 0.220 0.000 2.457 149 H HA 0.032 4.588 4.556 -0.000 0.000 0.294 149 H C 2.655 178.148 175.328 0.275 0.000 1.064 149 H CA 0.811 56.993 56.048 0.223 0.000 1.330 149 H CB 0.139 30.015 29.762 0.190 0.000 1.395 149 H HN 0.393 nan 8.280 nan 0.000 0.541 150 Q N -0.328 119.690 119.800 0.362 0.000 2.049 150 Q HA -0.128 4.212 4.340 -0.000 0.000 0.198 150 Q C 2.473 178.691 176.000 0.362 0.000 0.971 150 Q CA 1.377 57.366 55.803 0.310 0.000 0.833 150 Q CB 0.035 28.882 28.738 0.182 0.000 0.896 150 Q HN 0.473 nan 8.270 nan 0.000 0.434 151 C N 0.251 119.741 119.300 0.317 0.000 2.425 151 C HA -0.101 4.359 4.460 -0.000 0.000 0.277 151 C C 2.833 178.052 174.990 0.382 0.000 1.280 151 C CA 0.734 59.970 59.018 0.364 0.000 1.744 151 C CB -1.122 26.797 27.740 0.298 0.000 1.989 151 C HN 0.614 nan 8.230 nan 0.000 0.491 152 A N -0.978 122.055 122.820 0.355 0.000 1.933 152 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 152 A C 1.978 179.787 177.584 0.375 0.000 1.175 152 A CA 1.624 53.864 52.037 0.338 0.000 0.628 152 A CB -0.930 18.264 19.000 0.323 0.000 0.814 152 A HN 0.657 nan 8.150 nan 0.000 0.444 153 Y N 0.243 120.713 120.300 0.284 0.000 2.242 153 Y HA -0.148 4.402 4.550 0.000 0.000 0.291 153 Y C 2.431 178.541 175.900 0.351 0.000 1.137 153 Y CA 1.611 59.882 58.100 0.284 0.000 1.181 153 Y CB -0.085 38.544 38.460 0.282 0.000 0.989 153 Y HN 0.097 nan 8.280 nan 0.000 0.527 154 V N 0.400 120.583 119.914 0.449 0.000 2.295 154 V HA -0.371 3.749 4.120 -0.000 0.000 0.246 154 V C 1.742 178.058 176.094 0.370 0.000 1.049 154 V CA 2.459 64.986 62.300 0.379 0.000 1.024 154 V CB -0.787 31.303 31.823 0.445 0.000 0.648 154 V HN 0.457 nan 8.190 nan 0.000 0.447 155 N N -1.044 117.891 118.700 0.393 0.000 2.120 155 N HA -0.222 4.518 4.740 -0.000 0.000 0.188 155 N C 1.872 177.521 175.510 0.232 0.000 1.024 155 N CA 1.542 54.818 53.050 0.376 0.000 0.852 155 N CB -0.340 38.384 38.487 0.396 0.000 1.003 155 N HN 0.611 nan 8.380 nan 0.000 0.424 156 Y N 0.261 120.597 120.300 0.060 0.000 2.165 156 Y HA -0.296 4.254 4.550 0.000 0.000 0.286 156 Y C 2.231 178.029 175.900 -0.170 0.000 1.155 156 Y CA 1.475 59.528 58.100 -0.079 0.000 1.164 156 Y CB -0.442 37.903 38.460 -0.191 0.000 0.978 156 Y HN 0.143 nan 8.280 nan 0.000 0.513 157 Y N -0.709 119.539 120.300 -0.087 0.000 2.163 157 Y HA -0.228 4.322 4.550 -0.000 0.000 0.288 157 Y C 2.004 177.745 175.900 -0.265 0.000 1.136 157 Y CA 1.965 59.939 58.100 -0.210 0.000 1.147 157 Y CB -0.816 37.504 38.460 -0.234 0.000 0.987 157 Y HN 0.147 nan 8.280 nan 0.000 0.509 158 F N -0.593 119.322 119.950 -0.059 0.000 2.234 158 F HA -0.153 4.374 4.527 0.000 0.000 0.299 158 F C 2.467 178.085 175.800 -0.305 0.000 1.087 158 F CA 0.736 58.573 58.000 -0.271 0.000 1.340 158 F CB -0.447 38.113 39.000 -0.733 0.000 1.031 158 F HN 0.154 nan 8.300 nan 0.000 0.500 159 A N -0.023 122.739 122.820 -0.097 0.000 1.898 159 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 159 A C 2.136 179.625 177.584 -0.158 0.000 1.181 159 A CA 1.755 53.758 52.037 -0.056 0.000 0.620 159 A CB -0.600 18.370 19.000 -0.051 0.000 0.819 159 A HN 0.323 nan 8.150 nan 0.000 0.442 160 K N -0.619 119.593 120.400 -0.312 0.000 2.097 160 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 160 K C 0.643 177.068 176.600 -0.292 0.000 1.050 160 K CA 1.559 57.635 56.287 -0.351 0.000 0.938 160 K CB -0.018 32.185 32.500 -0.494 0.000 0.718 160 K HN 0.476 nan 8.250 nan 0.000 0.442 161 N N -0.274 118.215 118.700 -0.352 0.000 2.177 161 N HA 0.097 4.837 4.740 -0.000 0.000 0.218 161 N C 0.083 175.556 175.510 -0.063 0.000 1.182 161 N CA 0.113 53.009 53.050 -0.257 0.000 0.882 161 N CB 1.484 39.698 38.487 -0.456 0.000 1.052 161 N HN 0.131 nan 8.380 nan 0.000 0.519 162 G N 0.769 109.582 108.800 0.022 0.000 2.531 162 G HA2 0.179 4.139 3.960 -0.000 0.000 0.313 162 G HA3 0.179 4.139 3.960 -0.000 0.000 0.313 162 G C 0.869 175.835 174.900 0.110 0.000 1.238 162 G CA -0.284 44.910 45.100 0.156 0.000 0.994 162 G HN 0.112 nan 8.290 nan 0.000 0.493 163 Q N -1.401 118.476 119.800 0.128 0.000 2.369 163 Q HA 0.017 4.357 4.340 -0.000 0.000 0.206 163 Q C -0.414 175.637 176.000 0.085 0.000 0.963 163 Q CA 1.187 57.044 55.803 0.090 0.000 0.894 163 Q CB 0.308 29.096 28.738 0.083 0.000 0.965 163 Q HN 0.340 nan 8.270 nan 0.000 0.475 164 D N -0.169 120.300 120.400 0.115 0.000 2.351 164 D HA 0.228 4.868 4.640 -0.000 0.000 0.235 164 D C -2.435 173.971 176.300 0.177 0.000 1.331 164 D CA -1.874 52.192 54.000 0.110 0.000 0.959 164 D CB 1.697 42.544 40.800 0.079 0.000 1.432 164 D HN -0.220 nan 8.370 nan 0.000 0.544 165 P HA 0.074 nan 4.420 nan 0.000 0.219 165 P C 0.118 177.509 177.300 0.151 0.000 1.150 165 P CA 0.408 63.600 63.100 0.153 0.000 0.814 165 P CB 0.153 31.888 31.700 0.058 0.000 0.787 166 A N -0.252 122.627 122.820 0.099 0.000 2.548 166 A HA 0.389 4.709 4.320 -0.000 0.000 0.247 166 A C 1.645 179.285 177.584 0.094 0.000 1.067 166 A CA 0.900 52.985 52.037 0.079 0.000 0.757 166 A CB -1.242 17.791 19.000 0.055 0.000 0.996 166 A HN 0.403 nan 8.150 nan 0.000 0.504 167 G N 1.910 110.783 108.800 0.122 0.000 2.729 167 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.216 167 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.216 167 G C 0.993 176.008 174.900 0.192 0.000 1.252 167 G CA 0.919 46.149 45.100 0.217 0.000 0.751 167 G HN 0.914 nan 8.290 nan 0.000 0.527 168 H N 1.813 120.983 119.070 0.166 0.000 2.387 168 H HA -0.047 4.509 4.556 0.000 0.000 0.299 168 H C 2.563 177.953 175.328 0.103 0.000 1.090 168 H CA 1.893 58.032 56.048 0.151 0.000 1.332 168 H CB 0.112 29.961 29.762 0.144 0.000 1.386 168 H HN 0.609 nan 8.280 nan 0.000 0.516 169 N N 0.390 119.202 118.700 0.188 0.000 2.463 169 N HA -0.081 4.659 4.740 -0.000 0.000 0.181 169 N C -0.078 175.457 175.510 0.042 0.000 1.078 169 N CA 1.262 54.363 53.050 0.085 0.000 0.902 169 N CB 0.319 38.828 38.487 0.037 0.000 0.970 169 N HN 0.493 nan 8.380 nan 0.000 0.451 170 D N -2.634 117.782 120.400 0.027 0.000 2.672 170 D HA 0.307 4.947 4.640 -0.000 0.000 0.287 170 D C 0.983 177.205 176.300 -0.131 0.000 1.559 170 D CA -0.073 53.903 54.000 -0.040 0.000 0.796 170 D CB -0.385 40.390 40.800 -0.042 0.000 1.181 170 D HN 0.122 nan 8.370 nan 0.000 0.458 171 A N 1.240 123.964 122.820 -0.160 0.000 1.986 171 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 171 A C 2.098 179.383 177.584 -0.499 0.000 1.171 171 A CA 1.304 53.056 52.037 -0.475 0.000 0.640 171 A CB -0.590 18.198 19.000 -0.354 0.000 0.811 171 A HN 0.223 nan 8.150 nan 0.000 0.451 172 R N -0.768 119.561 120.500 -0.285 0.000 2.211 172 R HA -0.185 4.155 4.340 -0.000 0.000 0.240 172 R C 2.211 178.337 176.300 -0.291 0.000 1.144 172 R CA 1.714 57.650 56.100 -0.274 0.000 0.992 172 R CB -0.213 30.002 30.300 -0.142 0.000 0.869 172 R HN 0.842 nan 8.270 nan 0.000 0.462 173 R N -1.105 119.239 120.500 -0.260 0.000 2.310 173 R HA 0.069 4.409 4.340 -0.000 0.000 0.199 173 R C 1.695 177.870 176.300 -0.207 0.000 0.891 173 R CA 0.845 56.831 56.100 -0.190 0.000 1.060 173 R CB -0.335 29.902 30.300 -0.105 0.000 1.188 173 R HN 0.040 nan 8.270 nan 0.000 0.607 174 T N -0.053 114.346 114.554 -0.257 0.000 3.085 174 T HA -0.021 4.329 4.350 -0.000 0.000 0.263 174 T C 1.865 176.367 174.700 -0.330 0.000 1.127 174 T CA 0.600 62.577 62.100 -0.205 0.000 1.103 174 T CB -0.135 68.675 68.868 -0.097 0.000 0.921 174 T HN 0.331 nan 8.240 nan 0.000 0.510 175 R N 2.015 122.099 120.500 -0.693 0.000 2.189 175 R HA -0.067 4.273 4.340 -0.000 0.000 0.218 175 R C 2.082 178.139 176.300 -0.405 0.000 1.074 175 R CA 1.712 57.365 56.100 -0.744 0.000 0.991 175 R CB -1.455 28.099 30.300 -1.243 0.000 0.883 175 R HN 0.557 nan 8.270 nan 0.000 0.457 176 T N -1.260 113.099 114.554 -0.325 0.000 3.072 176 T HA 0.074 4.424 4.350 -0.000 0.000 0.266 176 T C 1.975 176.739 174.700 0.107 0.000 1.127 176 T CA 0.548 62.632 62.100 -0.026 0.000 1.107 176 T CB -0.276 68.592 68.868 -0.001 0.000 0.910 176 T HN 0.251 nan 8.240 nan 0.000 0.513 177 I N 1.235 121.848 120.570 0.071 0.000 2.406 177 I HA 0.190 4.360 4.170 -0.000 0.000 0.249 177 I C 1.849 178.066 176.117 0.167 0.000 1.122 177 I CA 0.457 61.822 61.300 0.108 0.000 1.431 177 I CB -0.608 37.407 38.000 0.024 0.000 1.087 177 I HN 0.375 nan 8.210 nan 0.000 0.424 178 G N 0.726 109.639 108.800 0.189 0.000 2.451 178 G HA2 0.307 4.267 3.960 -0.000 0.000 0.303 178 G HA3 0.307 4.267 3.960 -0.000 0.000 0.303 178 G C -1.778 173.235 174.900 0.188 0.000 1.166 178 G CA -0.867 44.346 45.100 0.188 0.000 0.884 178 G HN -0.014 nan 8.290 nan 0.000 0.514 179 P HA -0.051 nan 4.420 nan 0.000 0.222 179 P C 1.854 179.243 177.300 0.148 0.000 1.153 179 P CA 0.577 63.693 63.100 0.027 0.000 0.798 179 P CB 0.332 31.982 31.700 -0.083 0.000 0.796 180 L N -1.514 119.881 121.223 0.287 0.000 2.131 180 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 180 L C 2.789 179.930 176.870 0.452 0.000 1.092 180 L CA 1.404 56.489 54.840 0.408 0.000 0.759 180 L CB -1.037 41.320 42.059 0.496 0.000 0.903 180 L HN 0.114 nan 8.230 nan 0.000 0.435 181 W N 1.724 123.145 121.300 0.201 0.000 2.363 181 W HA -0.215 4.445 4.660 -0.000 0.000 0.296 181 W C 2.171 178.546 176.519 -0.239 0.000 1.212 181 W CA 0.969 58.231 57.345 -0.139 0.000 1.260 181 W CB 0.080 29.531 29.460 -0.015 0.000 1.131 181 W HN 0.060 nan 8.180 nan 0.000 0.530 182 K N 0.347 120.599 120.400 -0.247 0.000 2.032 182 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 182 K C 2.254 178.583 176.600 -0.453 0.000 1.048 182 K CA 1.762 57.810 56.287 -0.398 0.000 0.927 182 K CB -1.400 30.985 32.500 -0.192 0.000 0.712 182 K HN 0.336 nan 8.250 nan 0.000 0.441 183 G N 0.977 109.594 108.800 -0.305 0.000 2.422 183 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 183 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 183 G C 1.594 175.791 174.900 -1.171 0.000 1.140 183 G CA 0.779 45.627 45.100 -0.419 0.000 0.775 183 G HN 0.205 nan 8.290 nan 0.000 0.545 184 M N 0.577 119.449 119.600 -1.213 0.000 2.132 184 M HA 0.152 4.632 4.480 -0.000 0.000 0.263 184 M C 2.330 178.020 176.300 -1.017 0.000 1.065 184 M CA 1.424 55.922 55.300 -1.337 0.000 1.122 184 M CB -0.180 31.820 32.600 -1.000 0.000 1.365 184 M HN 0.061 nan 8.290 nan 0.000 0.411 185 K N -0.804 118.959 120.400 -1.062 0.000 2.209 185 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 185 K C 2.230 178.494 176.600 -0.560 0.000 1.048 185 K CA 0.739 56.523 56.287 -0.838 0.000 0.940 185 K CB -0.247 31.709 32.500 -0.906 0.000 0.729 185 K HN 0.252 nan 8.250 nan 0.000 0.451 186 R N 1.322 121.496 120.500 -0.542 0.000 2.062 186 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 186 R C 2.220 178.292 176.300 -0.380 0.000 1.136 186 R CA 1.868 57.753 56.100 -0.358 0.000 0.948 186 R CB -0.498 29.637 30.300 -0.276 0.000 0.845 186 R HN 0.215 nan 8.270 nan 0.000 0.430 187 V N -2.478 117.100 119.914 -0.559 0.000 2.649 187 V HA 0.019 4.139 4.120 -0.000 0.000 0.248 187 V C 1.900 177.645 176.094 -0.582 0.000 1.054 187 V CA 1.115 63.112 62.300 -0.506 0.000 1.073 187 V CB -0.633 30.765 31.823 -0.709 0.000 0.699 187 V HN -0.001 nan 8.190 nan 0.000 0.463 188 F N 0.497 119.934 119.950 -0.855 0.000 2.721 188 F HA 0.462 4.989 4.527 0.000 0.000 0.301 188 F C 1.997 177.270 175.800 -0.878 0.000 1.096 188 F CA 0.126 57.500 58.000 -1.042 0.000 1.308 188 F CB 0.272 39.038 39.000 -0.390 0.000 1.086 188 F HN 0.227 nan 8.300 nan 0.000 0.587 189 S N -0.869 114.558 115.700 -0.455 0.000 3.414 189 S HA 0.027 4.497 4.470 -0.000 0.000 0.193 189 S C 1.358 175.872 174.600 -0.143 0.000 0.825 189 S CA 0.051 58.123 58.200 -0.215 0.000 0.837 189 S CB 0.064 63.147 63.200 -0.195 0.000 0.940 189 S HN 0.064 nan 8.310 nan 0.000 0.639 190 D N 1.919 122.219 120.400 -0.167 0.000 2.144 190 D HA -0.034 4.606 4.640 -0.000 0.000 0.199 190 D C 1.918 178.190 176.300 -0.047 0.000 0.984 190 D CA 1.301 55.245 54.000 -0.093 0.000 0.834 190 D CB -0.662 40.072 40.800 -0.109 0.000 0.955 190 D HN 0.484 nan 8.370 nan 0.000 0.465 191 G N -0.115 108.630 108.800 -0.092 0.000 2.448 191 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 191 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 191 G C 1.498 176.517 174.900 0.199 0.000 1.127 191 G CA 0.049 45.160 45.100 0.017 0.000 0.766 191 G HN 0.294 nan 8.290 nan 0.000 0.552 192 F N 0.258 120.214 119.950 0.011 0.000 2.416 192 F HA 0.186 4.713 4.527 0.000 0.000 0.296 192 F C 2.273 178.035 175.800 -0.063 0.000 1.099 192 F CA 0.451 58.443 58.000 -0.013 0.000 1.427 192 F CB 0.211 39.196 39.000 -0.025 0.000 1.079 192 F HN 0.226 nan 8.300 nan 0.000 0.536 193 I N -4.768 115.874 120.570 0.120 0.000 4.439 193 I HA 0.273 4.443 4.170 -0.000 0.000 0.331 193 I C -0.158 175.942 176.117 -0.028 0.000 1.345 193 I CA 0.004 61.304 61.300 -0.001 0.000 1.193 193 I CB 0.427 38.415 38.000 -0.019 0.000 1.221 193 I HN -0.271 nan 8.210 nan 0.000 0.429 194 S N 2.212 117.910 115.700 -0.004 0.000 2.520 194 S HA 0.833 5.303 4.470 -0.000 0.000 0.324 194 S C 0.135 174.730 174.600 -0.009 0.000 1.069 194 S CA -0.003 58.186 58.200 -0.018 0.000 1.121 194 S CB 1.074 64.251 63.200 -0.040 0.000 0.971 194 S HN 0.803 nan 8.310 nan 0.000 0.463 195 G N 2.262 111.061 108.800 -0.002 0.000 2.320 195 G HA2 0.073 4.033 3.960 -0.000 0.000 0.274 195 G HA3 0.073 4.033 3.960 -0.000 0.000 0.274 195 G C -1.757 173.158 174.900 0.025 0.000 1.324 195 G CA -1.001 44.106 45.100 0.012 0.000 0.957 195 G HN 0.487 nan 8.290 nan 0.000 0.481 196 D N 0.875 121.302 120.400 0.045 0.000 2.458 196 D HA 0.425 5.065 4.640 -0.000 0.000 0.243 196 D C 1.742 178.064 176.300 0.038 0.000 1.146 196 D CA 0.787 54.828 54.000 0.070 0.000 0.877 196 D CB 1.447 42.325 40.800 0.131 0.000 1.176 196 D HN 0.893 nan 8.370 nan 0.000 0.461 197 A N 3.830 126.657 122.820 0.012 0.000 1.927 197 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 197 A C 2.377 179.917 177.584 -0.073 0.000 1.185 197 A CA 1.690 53.683 52.037 -0.072 0.000 0.639 197 A CB -0.574 18.370 19.000 -0.093 0.000 0.820 197 A HN 0.546 nan 8.150 nan 0.000 0.451 198 V N -0.107 119.773 119.914 -0.058 0.000 2.343 198 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 198 V C 2.522 178.575 176.094 -0.068 0.000 1.051 198 V CA 2.250 64.454 62.300 -0.161 0.000 1.036 198 V CB -0.670 30.830 31.823 -0.539 0.000 0.654 198 V HN 0.791 nan 8.190 nan 0.000 0.451 199 E N -0.609 119.605 120.200 0.024 0.000 2.077 199 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 199 E C 2.251 178.903 176.600 0.087 0.000 0.989 199 E CA 1.946 58.398 56.400 0.087 0.000 0.800 199 E CB -0.158 29.613 29.700 0.118 0.000 0.746 199 E HN 0.668 nan 8.360 nan 0.000 0.452 200 C N 0.073 119.400 119.300 0.046 0.000 2.425 200 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 200 C C 3.071 178.077 174.990 0.026 0.000 1.280 200 C CA 1.071 60.118 59.018 0.049 0.000 1.744 200 C CB -1.016 26.712 27.740 -0.020 0.000 1.989 200 C HN 0.520 nan 8.230 nan 0.000 0.491 201 S N 0.355 116.042 115.700 -0.022 0.000 2.382 201 S HA -0.080 4.390 4.470 -0.000 0.000 0.228 201 S C 1.739 176.378 174.600 0.066 0.000 1.027 201 S CA 1.310 59.497 58.200 -0.021 0.000 0.991 201 S CB -0.262 62.920 63.200 -0.029 0.000 0.823 201 S HN 0.614 nan 8.310 nan 0.000 0.469 202 L N 1.464 122.749 121.223 0.103 0.000 2.046 202 L HA -0.089 4.250 4.340 -0.000 0.000 0.208 202 L C 2.662 179.673 176.870 0.235 0.000 1.077 202 L CA 1.185 56.138 54.840 0.187 0.000 0.747 202 L CB -0.701 41.474 42.059 0.193 0.000 0.896 202 L HN 0.328 nan 8.230 nan 0.000 0.432 203 N N 0.100 118.941 118.700 0.234 0.000 2.120 203 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 203 N C 1.793 177.531 175.510 0.381 0.000 1.024 203 N CA 1.377 54.623 53.050 0.327 0.000 0.852 203 N CB -0.126 38.575 38.487 0.357 0.000 1.003 203 N HN 0.173 nan 8.380 nan 0.000 0.424 204 L N 1.317 122.631 121.223 0.152 0.000 2.022 204 L HA -0.084 4.256 4.340 -0.000 0.000 0.204 204 L C 2.082 178.899 176.870 -0.087 0.000 1.076 204 L CA 1.662 56.348 54.840 -0.256 0.000 0.749 204 L CB -0.577 41.107 42.059 -0.625 0.000 0.903 204 L HN 0.091 nan 8.230 nan 0.000 0.439 205 Q N -1.145 118.656 119.800 0.001 0.000 2.159 205 Q HA -0.011 4.329 4.340 -0.000 0.000 0.194 205 Q C 2.160 178.269 176.000 0.181 0.000 0.968 205 Q CA 1.038 56.890 55.803 0.082 0.000 0.837 205 Q CB -0.293 28.516 28.738 0.119 0.000 0.920 205 Q HN 0.346 nan 8.270 nan 0.000 0.485 206 L N 0.112 121.507 121.223 0.286 0.000 2.141 206 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 206 L C 1.722 178.914 176.870 0.536 0.000 1.094 206 L CA 1.173 56.304 54.840 0.485 0.000 0.763 206 L CB 0.126 42.473 42.059 0.480 0.000 0.908 206 L HN 0.049 nan 8.230 nan 0.000 0.437 207 V N -2.225 117.895 119.914 0.343 0.000 2.784 207 V HA 0.211 4.331 4.120 -0.000 0.000 0.231 207 V C 2.298 178.437 176.094 0.076 0.000 1.128 207 V CA 0.898 63.291 62.300 0.155 0.000 1.178 207 V CB -1.010 30.954 31.823 0.235 0.000 0.943 207 V HN 0.344 nan 8.190 nan 0.000 0.500 208 G N 0.342 109.303 108.800 0.269 0.000 2.631 208 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 208 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 208 G C 1.368 176.387 174.900 0.199 0.000 1.214 208 G CA 1.608 46.940 45.100 0.386 0.000 0.785 208 G HN 0.594 nan 8.290 nan 0.000 0.596 209 E N 0.439 120.690 120.200 0.085 0.000 2.028 209 E HA 0.093 4.443 4.350 -0.000 0.000 0.190 209 E C 3.005 179.510 176.600 -0.159 0.000 0.984 209 E CA 0.660 57.050 56.400 -0.016 0.000 0.800 209 E CB -0.249 29.446 29.700 -0.009 0.000 0.758 209 E HN 0.384 nan 8.360 nan 0.000 0.448 210 A N 0.674 123.353 122.820 -0.236 0.000 1.908 210 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 210 A C 2.342 179.683 177.584 -0.406 0.000 1.181 210 A CA 1.509 53.250 52.037 -0.494 0.000 0.627 210 A CB -0.902 17.557 19.000 -0.903 0.000 0.818 210 A HN 0.461 nan 8.150 nan 0.000 0.445 211 C N -2.827 116.181 119.300 -0.485 0.000 2.524 211 C HA 0.332 4.792 4.460 -0.000 0.000 0.284 211 C C 2.243 176.743 174.990 -0.816 0.000 1.346 211 C CA 0.825 59.345 59.018 -0.830 0.000 1.739 211 C CB -0.893 25.836 27.740 -1.686 0.000 2.119 211 C HN 0.522 nan 8.230 nan 0.000 0.501 212 F N 1.017 120.779 119.950 -0.312 0.000 2.482 212 F HA 0.125 4.652 4.527 -0.000 0.000 0.278 212 F C 2.837 178.431 175.800 -0.342 0.000 0.969 212 F CA 1.614 59.427 58.000 -0.310 0.000 1.223 212 F CB -1.299 37.463 39.000 -0.397 0.000 1.140 212 F HN 0.159 nan 8.300 nan 0.000 0.672 213 T N -1.143 113.401 114.554 -0.016 0.000 2.684 213 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 213 T C 1.833 176.482 174.700 -0.085 0.000 1.036 213 T CA 1.946 64.049 62.100 0.005 0.000 1.148 213 T CB -1.088 67.849 68.868 0.114 0.000 0.863 213 T HN 0.360 nan 8.240 nan 0.000 0.436 214 N N 1.890 120.495 118.700 -0.158 0.000 2.043 214 N HA -0.076 4.664 4.740 -0.000 0.000 0.193 214 N C -0.807 174.558 175.510 -0.242 0.000 1.037 214 N CA 1.410 54.347 53.050 -0.188 0.000 0.851 214 N CB -0.458 37.895 38.487 -0.223 0.000 1.027 214 N HN 0.345 nan 8.380 nan 0.000 0.422 215 P HA -0.098 nan 4.420 nan 0.000 0.216 215 P C 1.595 178.631 177.300 -0.441 0.000 1.153 215 P CA 0.665 63.319 63.100 -0.743 0.000 0.848 215 P CB -0.076 30.573 31.700 -1.752 0.000 0.787 216 L N -0.716 120.329 121.223 -0.297 0.000 2.042 216 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 216 L C 1.973 179.075 176.870 0.386 0.000 1.076 216 L CA 2.016 57.033 54.840 0.294 0.000 0.749 216 L CB -1.259 40.945 42.059 0.241 0.000 0.893 216 L HN -0.142 nan 8.230 nan 0.000 0.432 217 I N -0.920 119.778 120.570 0.213 0.000 2.226 217 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 217 I C 2.569 178.897 176.117 0.352 0.000 1.100 217 I CA 1.228 62.698 61.300 0.284 0.000 1.374 217 I CB -1.386 36.630 38.000 0.028 0.000 1.057 217 I HN 0.141 nan 8.210 nan 0.000 0.413 218 V N 1.355 121.398 119.914 0.217 0.000 2.307 218 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 218 V C 2.860 179.136 176.094 0.304 0.000 1.045 218 V CA 1.699 64.122 62.300 0.206 0.000 1.024 218 V CB -1.174 30.716 31.823 0.111 0.000 0.651 218 V HN 0.438 nan 8.190 nan 0.000 0.449 219 A N -0.035 123.040 122.820 0.426 0.000 1.883 219 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 219 A C 2.407 180.342 177.584 0.586 0.000 1.186 219 A CA 2.254 54.612 52.037 0.535 0.000 0.624 219 A CB -0.854 18.624 19.000 0.796 0.000 0.822 219 A HN 0.329 nan 8.150 nan 0.000 0.444 220 V N 0.808 121.133 119.914 0.685 0.000 2.392 220 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 220 V C 3.013 179.379 176.094 0.454 0.000 1.059 220 V CA 2.550 65.270 62.300 0.701 0.000 1.051 220 V CB -1.495 30.718 31.823 0.650 0.000 0.658 220 V HN 0.888 nan 8.190 nan 0.000 0.455 221 T N -2.450 112.303 114.554 0.333 0.000 2.833 221 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 221 T C 1.687 176.444 174.700 0.094 0.000 1.054 221 T CA 1.347 63.557 62.100 0.183 0.000 1.135 221 T CB -0.239 68.730 68.868 0.168 0.000 0.869 221 T HN 0.466 nan 8.240 nan 0.000 0.466 222 E N 0.610 120.873 120.200 0.105 0.000 2.046 222 E HA -0.032 4.318 4.350 -0.000 0.000 0.190 222 E C 1.819 178.304 176.600 -0.192 0.000 0.982 222 E CA 0.952 57.316 56.400 -0.059 0.000 0.800 222 E CB -0.427 29.219 29.700 -0.090 0.000 0.756 222 E HN 0.725 nan 8.360 nan 0.000 0.449 223 W N 1.421 122.575 121.300 -0.243 0.000 2.388 223 W HA -0.051 4.609 4.660 -0.000 0.000 0.294 223 W C 2.543 178.516 176.519 -0.911 0.000 1.212 223 W CA 1.220 58.268 57.345 -0.495 0.000 1.271 223 W CB -0.568 28.659 29.460 -0.388 0.000 1.126 223 W HN 0.084 nan 8.180 nan 0.000 0.535 224 A N 0.432 122.961 122.820 -0.485 0.000 1.877 224 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 224 A C 2.120 179.483 177.584 -0.369 0.000 1.186 224 A CA 2.460 54.144 52.037 -0.589 0.000 0.620 224 A CB -1.331 17.745 19.000 0.127 0.000 0.822 224 A HN 0.167 nan 8.150 nan 0.000 0.443 225 A N -0.082 122.615 122.820 -0.205 0.000 1.908 225 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 225 A C 2.507 179.956 177.584 -0.225 0.000 1.181 225 A CA 2.218 54.158 52.037 -0.160 0.000 0.627 225 A CB -1.075 17.851 19.000 -0.124 0.000 0.818 225 A HN 1.130 nan 8.150 nan 0.000 0.445 226 A N 0.009 122.649 122.820 -0.301 0.000 1.978 226 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 226 A C 1.527 178.964 177.584 -0.244 0.000 1.170 226 A CA 1.823 53.665 52.037 -0.325 0.000 0.636 226 A CB -0.602 18.169 19.000 -0.382 0.000 0.810 226 A HN 0.611 nan 8.150 nan 0.000 0.448 227 N N -1.186 117.356 118.700 -0.263 0.000 2.295 227 N HA 0.372 5.112 4.740 -0.000 0.000 0.221 227 N C 0.817 176.332 175.510 0.008 0.000 1.129 227 N CA 0.836 53.845 53.050 -0.068 0.000 0.836 227 N CB 0.590 38.949 38.487 -0.213 0.000 1.040 227 N HN 0.556 nan 8.380 nan 0.000 0.494 228 G N 0.458 109.233 108.800 -0.042 0.000 2.179 228 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 228 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 228 G C -0.304 174.651 174.900 0.092 0.000 0.977 228 G CA 0.070 45.190 45.100 0.034 0.000 0.641 228 G HN 0.456 nan 8.290 nan 0.000 0.533 229 D N 0.560 121.009 120.400 0.081 0.000 2.380 229 D HA 0.489 5.129 4.640 -0.000 0.000 0.230 229 D C 1.127 177.511 176.300 0.139 0.000 1.154 229 D CA -0.472 53.669 54.000 0.235 0.000 0.859 229 D CB 0.598 41.656 40.800 0.430 0.000 1.045 229 D HN 0.169 nan 8.370 nan 0.000 0.495 230 E N 3.691 123.960 120.200 0.115 0.000 2.498 230 E HA 0.050 4.400 4.350 -0.000 0.000 0.203 230 E C 1.516 178.116 176.600 0.000 0.000 1.013 230 E CA -0.092 56.331 56.400 0.039 0.000 0.927 230 E CB 0.612 30.320 29.700 0.014 0.000 1.012 230 E HN 0.556 nan 8.360 nan 0.000 0.482 231 I N 0.893 121.467 120.570 0.006 0.000 2.235 231 I HA -0.142 4.028 4.170 -0.000 0.000 0.241 231 I C 2.057 178.148 176.117 -0.044 0.000 1.085 231 I CA 1.222 62.425 61.300 -0.161 0.000 1.378 231 I CB -1.383 36.352 38.000 -0.440 0.000 1.076 231 I HN -0.004 nan 8.210 nan 0.000 0.415 232 T N 1.962 116.567 114.554 0.085 0.000 2.746 232 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 232 T C -0.345 174.339 174.700 -0.027 0.000 1.039 232 T CA 1.474 63.557 62.100 -0.029 0.000 1.142 232 T CB -1.260 67.564 68.868 -0.074 0.000 0.866 232 T HN 0.196 nan 8.240 nan 0.000 0.444 233 P HA -0.046 nan 4.420 nan 0.000 0.215 233 P C 1.630 178.967 177.300 0.061 0.000 1.153 233 P CA 1.192 64.329 63.100 0.061 0.000 0.853 233 P CB -0.263 31.458 31.700 0.035 0.000 0.788 234 T N -1.013 113.549 114.554 0.014 0.000 2.720 234 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 234 T C 1.761 176.453 174.700 -0.013 0.000 1.037 234 T CA 1.385 63.470 62.100 -0.024 0.000 1.144 234 T CB -0.873 67.947 68.868 -0.081 0.000 0.864 234 T HN -0.086 nan 8.240 nan 0.000 0.444 235 V N 0.276 120.225 119.914 0.058 0.000 2.331 235 V HA 0.014 4.134 4.120 -0.000 0.000 0.242 235 V C 2.129 178.362 176.094 0.233 0.000 1.034 235 V CA 1.172 63.541 62.300 0.115 0.000 1.027 235 V CB -0.687 31.276 31.823 0.234 0.000 0.667 235 V HN 0.298 nan 8.190 nan 0.000 0.457 236 F N 0.351 120.310 119.950 0.015 0.000 2.134 236 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 236 F C 2.185 177.971 175.800 -0.024 0.000 1.097 236 F CA 0.994 59.003 58.000 0.014 0.000 1.264 236 F CB -0.966 38.090 39.000 0.093 0.000 1.001 236 F HN 0.039 nan 8.300 nan 0.000 0.479 237 L N -1.418 119.909 121.223 0.173 0.000 2.131 237 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 237 L C 2.621 179.489 176.870 -0.005 0.000 1.092 237 L CA 1.465 56.345 54.840 0.066 0.000 0.759 237 L CB -0.772 41.314 42.059 0.044 0.000 0.903 237 L HN 0.140 nan 8.230 nan 0.000 0.435 238 S N 0.097 115.783 115.700 -0.023 0.000 2.371 238 S HA -0.081 4.389 4.470 -0.000 0.000 0.224 238 S C 1.977 176.519 174.600 -0.095 0.000 1.029 238 S CA 0.740 58.900 58.200 -0.068 0.000 0.978 238 S CB -0.090 63.051 63.200 -0.099 0.000 0.833 238 S HN 0.274 nan 8.310 nan 0.000 0.466 239 I N 1.605 122.081 120.570 -0.156 0.000 2.208 239 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 239 I C 2.798 178.733 176.117 -0.303 0.000 1.097 239 I CA 1.439 62.513 61.300 -0.376 0.000 1.363 239 I CB -0.459 37.174 38.000 -0.611 0.000 1.051 239 I HN 0.378 nan 8.210 nan 0.000 0.413 240 E N 1.048 121.134 120.200 -0.190 0.000 2.160 240 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 240 E C 2.119 178.646 176.600 -0.123 0.000 0.991 240 E CA 2.105 58.421 56.400 -0.139 0.000 0.810 240 E CB -0.172 29.488 29.700 -0.066 0.000 0.742 240 E HN 0.591 nan 8.360 nan 0.000 0.466 241 T N -1.351 113.143 114.554 -0.100 0.000 2.977 241 T HA -0.110 4.240 4.350 -0.000 0.000 0.271 241 T C 1.145 175.770 174.700 -0.125 0.000 1.105 241 T CA 1.280 63.324 62.100 -0.094 0.000 1.116 241 T CB -0.060 68.762 68.868 -0.077 0.000 0.878 241 T HN -0.017 nan 8.240 nan 0.000 0.509 242 D N 0.688 121.014 120.400 -0.123 0.000 2.346 242 D HA 0.083 4.723 4.640 -0.000 0.000 0.206 242 D C 1.962 178.008 176.300 -0.423 0.000 1.001 242 D CA 0.359 54.258 54.000 -0.169 0.000 0.871 242 D CB -0.155 40.677 40.800 0.053 0.000 0.943 242 D HN 0.379 nan 8.370 nan 0.000 0.518 243 E N 1.103 121.083 120.200 -0.367 0.000 2.204 243 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 243 E C 2.395 178.821 176.600 -0.288 0.000 0.990 243 E CA 0.518 56.660 56.400 -0.430 0.000 0.821 243 E CB -0.589 28.973 29.700 -0.231 0.000 0.750 243 E HN 0.307 nan 8.360 nan 0.000 0.477 244 L N 0.346 121.449 121.223 -0.200 0.000 2.043 244 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 244 L C 2.488 179.352 176.870 -0.010 0.000 1.075 244 L CA 2.617 57.420 54.840 -0.060 0.000 0.752 244 L CB -1.376 40.670 42.059 -0.023 0.000 0.891 244 L HN 0.159 nan 8.230 nan 0.000 0.432 245 R N -1.481 118.890 120.500 -0.215 0.000 2.096 245 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 245 R C 2.153 178.586 176.300 0.221 0.000 1.127 245 R CA 1.660 57.712 56.100 -0.080 0.000 0.968 245 R CB -0.579 29.608 30.300 -0.187 0.000 0.861 245 R HN 0.876 nan 8.270 nan 0.000 0.440 246 H N -0.421 118.657 119.070 0.013 0.000 2.395 246 H HA 0.024 4.580 4.556 -0.000 0.000 0.299 246 H C 2.189 177.575 175.328 0.096 0.000 1.070 246 H CA 0.554 56.627 56.048 0.041 0.000 1.356 246 H CB 0.122 29.883 29.762 -0.001 0.000 1.401 246 H HN 0.058 nan 8.280 nan 0.000 0.524 247 M N 0.905 120.629 119.600 0.206 0.000 2.117 247 M HA -0.106 4.374 4.480 -0.000 0.000 0.262 247 M C 2.750 179.285 176.300 0.391 0.000 1.065 247 M CA 1.093 56.530 55.300 0.227 0.000 1.114 247 M CB -0.896 31.783 32.600 0.133 0.000 1.361 247 M HN 0.335 nan 8.290 nan 0.000 0.408 248 A N 0.719 123.728 122.820 0.315 0.000 1.902 248 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 248 A C 1.996 179.727 177.584 0.246 0.000 1.181 248 A CA 2.063 54.264 52.037 0.273 0.000 0.623 248 A CB -1.199 17.976 19.000 0.291 0.000 0.818 248 A HN 0.631 nan 8.150 nan 0.000 0.443 249 N N -0.513 118.314 118.700 0.213 0.000 2.069 249 N HA -0.124 4.616 4.740 -0.000 0.000 0.191 249 N C 1.890 177.533 175.510 0.223 0.000 1.031 249 N CA 0.960 54.093 53.050 0.139 0.000 0.852 249 N CB -0.317 38.284 38.487 0.190 0.000 1.018 249 N HN 0.498 nan 8.380 nan 0.000 0.423 250 G N 0.202 109.175 108.800 0.287 0.000 2.421 250 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 250 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 250 G C 1.314 176.386 174.900 0.287 0.000 1.171 250 G CA 0.714 45.995 45.100 0.302 0.000 0.775 250 G HN 0.366 nan 8.290 nan 0.000 0.543 251 Y N 1.008 121.436 120.300 0.214 0.000 2.128 251 Y HA -0.150 4.400 4.550 -0.000 0.000 0.284 251 Y C 2.991 178.847 175.900 -0.074 0.000 1.154 251 Y CA 2.203 60.328 58.100 0.042 0.000 1.149 251 Y CB -0.053 38.414 38.460 0.011 0.000 0.976 251 Y HN 0.137 nan 8.280 nan 0.000 0.505 252 Q N -0.410 119.505 119.800 0.192 0.000 2.224 252 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 252 Q C 2.172 178.127 176.000 -0.076 0.000 0.970 252 Q CA 1.726 57.542 55.803 0.022 0.000 0.865 252 Q CB -0.641 28.099 28.738 0.004 0.000 0.922 252 Q HN 0.522 nan 8.270 nan 0.000 0.445 253 T N 0.625 115.177 114.554 -0.004 0.000 2.674 253 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 253 T C 2.059 176.690 174.700 -0.116 0.000 1.039 253 T CA 1.449 63.558 62.100 0.016 0.000 1.150 253 T CB -0.256 68.667 68.868 0.091 0.000 0.864 253 T HN 0.054 nan 8.240 nan 0.000 0.427 254 V N 1.331 121.128 119.914 -0.196 0.000 2.332 254 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 254 V C 2.685 178.516 176.094 -0.439 0.000 1.055 254 V CA 1.370 63.493 62.300 -0.295 0.000 1.038 254 V CB -0.772 30.838 31.823 -0.354 0.000 0.651 254 V HN 0.316 nan 8.190 nan 0.000 0.450 255 V N 1.005 120.539 119.914 -0.632 0.000 2.343 255 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 255 V C 2.721 178.632 176.094 -0.306 0.000 1.051 255 V CA 2.298 64.180 62.300 -0.696 0.000 1.036 255 V CB -0.953 30.518 31.823 -0.586 0.000 0.654 255 V HN 0.776 nan 8.190 nan 0.000 0.451 256 S N 1.024 116.610 115.700 -0.191 0.000 2.442 256 S HA -0.127 4.343 4.470 -0.000 0.000 0.236 256 S C 1.713 176.287 174.600 -0.044 0.000 1.007 256 S CA 1.768 59.916 58.200 -0.086 0.000 0.965 256 S CB -0.628 62.546 63.200 -0.043 0.000 0.773 256 S HN 0.802 nan 8.310 nan 0.000 0.504 257 I N -2.849 117.686 120.570 -0.058 0.000 4.082 257 I HA 0.593 4.763 4.170 -0.000 0.000 0.337 257 I C 2.038 178.183 176.117 0.046 0.000 1.352 257 I CA 0.138 61.455 61.300 0.028 0.000 1.097 257 I CB -0.187 37.842 38.000 0.049 0.000 1.048 257 I HN 0.198 nan 8.210 nan 0.000 0.393 258 A N 2.236 125.043 122.820 -0.022 0.000 1.933 258 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 258 A C 1.833 179.452 177.584 0.058 0.000 1.175 258 A CA 1.978 54.031 52.037 0.027 0.000 0.628 258 A CB -1.104 17.914 19.000 0.030 0.000 0.814 258 A HN 0.660 nan 8.150 nan 0.000 0.444 259 N N -0.462 118.264 118.700 0.043 0.000 2.461 259 N HA 0.019 4.759 4.740 -0.000 0.000 0.188 259 N C -0.470 175.064 175.510 0.041 0.000 1.134 259 N CA 0.060 53.135 53.050 0.041 0.000 0.878 259 N CB 0.111 38.617 38.487 0.031 0.000 0.972 259 N HN 0.509 nan 8.380 nan 0.000 0.456 260 D N 0.011 120.446 120.400 0.058 0.000 2.198 260 D HA 0.174 4.814 4.640 -0.000 0.000 0.245 260 D C -1.751 174.578 176.300 0.049 0.000 1.079 260 D CA -2.408 51.628 54.000 0.060 0.000 0.854 260 D CB 1.571 42.427 40.800 0.094 0.000 1.148 260 D HN -0.182 nan 8.370 nan 0.000 0.456 261 P HA -0.162 nan 4.420 nan 0.000 0.217 261 P C 0.880 178.154 177.300 -0.043 0.000 1.148 261 P CA 1.401 64.494 63.100 -0.012 0.000 0.828 261 P CB 0.134 31.823 31.700 -0.018 0.000 0.783 262 A N -0.766 122.042 122.820 -0.022 0.000 1.972 262 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 262 A C 2.497 180.049 177.584 -0.053 0.000 1.169 262 A CA 2.082 54.078 52.037 -0.068 0.000 0.635 262 A CB -1.612 17.383 19.000 -0.008 0.000 0.810 262 A HN 0.208 nan 8.150 nan 0.000 0.446 263 S N -0.246 115.519 115.700 0.109 0.000 2.365 263 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 263 S C 2.177 176.840 174.600 0.106 0.000 1.039 263 S CA 1.769 60.111 58.200 0.237 0.000 1.033 263 S CB -0.492 62.829 63.200 0.203 0.000 0.887 263 S HN 0.889 nan 8.310 nan 0.000 0.447 264 A N 0.733 123.559 122.820 0.010 0.000 2.019 264 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 264 A C 2.090 179.615 177.584 -0.099 0.000 1.164 264 A CA 1.588 53.609 52.037 -0.027 0.000 0.644 264 A CB -0.391 18.585 19.000 -0.040 0.000 0.805 264 A HN 0.656 nan 8.150 nan 0.000 0.449 265 K N -2.044 118.202 120.400 -0.257 0.000 2.098 265 K HA 0.012 4.332 4.320 -0.000 0.000 0.203 265 K C 1.303 177.640 176.600 -0.438 0.000 1.051 265 K CA 1.534 57.519 56.287 -0.504 0.000 0.957 265 K CB -0.123 31.753 32.500 -1.040 0.000 0.738 265 K HN 0.715 nan 8.250 nan 0.000 0.447 266 Y N -0.793 119.525 120.300 0.030 0.000 2.526 266 Y HA 0.091 4.641 4.550 -0.000 0.000 0.265 266 Y C 1.791 177.837 175.900 0.242 0.000 1.092 266 Y CA -0.671 57.482 58.100 0.088 0.000 1.277 266 Y CB 0.089 38.515 38.460 -0.056 0.000 1.228 266 Y HN -0.134 nan 8.280 nan 0.000 0.507 267 L N 1.544 123.033 121.223 0.443 0.000 1.978 267 L HA -0.306 4.034 4.340 -0.000 0.000 0.218 267 L C 1.334 178.345 176.870 0.235 0.000 1.075 267 L CA 2.221 57.272 54.840 0.352 0.000 0.767 267 L CB -0.934 41.270 42.059 0.242 0.000 0.890 267 L HN 0.217 nan 8.230 nan 0.000 0.434 268 N N -2.163 116.644 118.700 0.178 0.000 2.289 268 N HA -0.157 4.583 4.740 -0.000 0.000 0.184 268 N C 1.476 177.093 175.510 0.180 0.000 1.016 268 N CA 1.398 54.538 53.050 0.149 0.000 0.872 268 N CB -0.056 38.492 38.487 0.102 0.000 0.973 268 N HN 0.417 nan 8.380 nan 0.000 0.433 269 T N 0.401 115.079 114.554 0.207 0.000 2.770 269 T HA -0.081 4.269 4.350 -0.000 0.000 0.263 269 T C 1.101 175.943 174.700 0.236 0.000 1.039 269 T CA 0.918 63.149 62.100 0.219 0.000 1.142 269 T CB -0.184 68.820 68.868 0.228 0.000 0.868 269 T HN 0.180 nan 8.240 nan 0.000 0.435 270 D N 0.986 121.542 120.400 0.259 0.000 2.144 270 D HA -0.044 4.596 4.640 -0.000 0.000 0.199 270 D C 2.025 178.470 176.300 0.242 0.000 0.984 270 D CA 0.591 54.738 54.000 0.246 0.000 0.834 270 D CB -0.288 40.670 40.800 0.263 0.000 0.955 270 D HN 0.195 nan 8.370 nan 0.000 0.465 271 L N 1.160 122.527 121.223 0.240 0.000 2.056 271 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 271 L C 1.713 178.780 176.870 0.329 0.000 1.078 271 L CA 1.666 56.670 54.840 0.274 0.000 0.749 271 L CB -0.821 41.380 42.059 0.238 0.000 0.901 271 L HN -0.118 nan 8.230 nan 0.000 0.433 272 N N -0.267 118.599 118.700 0.276 0.000 2.142 272 N HA -0.206 4.534 4.740 -0.000 0.000 0.186 272 N C 1.641 177.346 175.510 0.325 0.000 1.023 272 N CA 1.991 55.211 53.050 0.283 0.000 0.852 272 N CB -0.265 38.323 38.487 0.169 0.000 0.998 272 N HN 0.544 nan 8.380 nan 0.000 0.424 273 N N -0.509 118.364 118.700 0.288 0.000 2.120 273 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 273 N C 1.644 177.339 175.510 0.308 0.000 1.024 273 N CA 1.084 54.312 53.050 0.297 0.000 0.852 273 N CB -0.189 38.454 38.487 0.259 0.000 1.003 273 N HN 0.330 nan 8.380 nan 0.000 0.424 274 A N 0.916 123.915 122.820 0.299 0.000 1.902 274 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 274 A C 1.964 179.721 177.584 0.287 0.000 1.181 274 A CA 1.020 53.226 52.037 0.282 0.000 0.623 274 A CB -0.860 18.312 19.000 0.287 0.000 0.818 274 A HN 0.411 nan 8.150 nan 0.000 0.443 275 F N -0.531 119.562 119.950 0.237 0.000 2.075 275 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 275 F C 2.212 178.125 175.800 0.188 0.000 1.113 275 F CA 1.828 59.943 58.000 0.192 0.000 1.218 275 F CB -0.548 38.599 39.000 0.246 0.000 0.984 275 F HN 0.522 nan 8.300 nan 0.000 0.472 276 W N 1.481 122.671 121.300 -0.184 0.000 2.338 276 W HA -0.238 4.422 4.660 -0.000 0.000 0.304 276 W C 2.086 178.497 176.519 -0.180 0.000 1.212 276 W CA 2.404 59.574 57.345 -0.292 0.000 1.264 276 W CB -0.801 28.585 29.460 -0.124 0.000 1.142 276 W HN 0.037 nan 8.180 nan 0.000 0.512 277 T N 1.348 115.921 114.554 0.032 0.000 2.607 277 T HA -0.285 4.065 4.350 -0.000 0.000 0.267 277 T C 1.805 176.394 174.700 -0.185 0.000 1.049 277 T CA 2.127 64.215 62.100 -0.020 0.000 1.162 277 T CB -0.518 68.407 68.868 0.095 0.000 0.863 277 T HN 0.116 nan 8.240 nan 0.000 0.424 278 Q N 0.770 120.502 119.800 -0.114 0.000 2.030 278 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 278 Q C 2.449 178.263 176.000 -0.311 0.000 0.986 278 Q CA 1.297 57.044 55.803 -0.093 0.000 0.843 278 Q CB -0.730 28.154 28.738 0.243 0.000 0.904 278 Q HN 0.510 nan 8.270 nan 0.000 0.420 279 Q N 1.400 120.995 119.800 -0.342 0.000 2.061 279 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 279 Q C 1.926 177.673 176.000 -0.422 0.000 0.984 279 Q CA 1.889 57.494 55.803 -0.331 0.000 0.846 279 Q CB -0.096 28.265 28.738 -0.627 0.000 0.902 279 Q HN 0.137 nan 8.270 nan 0.000 0.421 280 K N -0.420 119.590 120.400 -0.650 0.000 2.127 280 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 280 K C 1.939 178.349 176.600 -0.317 0.000 1.047 280 K CA 1.740 57.696 56.287 -0.552 0.000 0.927 280 K CB -0.639 31.549 32.500 -0.520 0.000 0.716 280 K HN 0.364 nan 8.250 nan 0.000 0.450 281 Y N -1.029 118.965 120.300 -0.510 0.000 2.230 281 Y HA 0.042 4.592 4.550 -0.000 0.000 0.294 281 Y C 1.533 177.115 175.900 -0.530 0.000 1.120 281 Y CA 1.262 59.026 58.100 -0.560 0.000 1.129 281 Y CB -0.157 37.810 38.460 -0.820 0.000 1.040 281 Y HN -0.007 nan 8.280 nan 0.000 0.519 282 F N 0.082 119.820 119.950 -0.354 0.000 2.234 282 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 282 F C 2.434 178.164 175.800 -0.117 0.000 1.087 282 F CA 1.667 59.426 58.000 -0.403 0.000 1.340 282 F CB -1.381 37.130 39.000 -0.815 0.000 1.031 282 F HN -0.040 nan 8.300 nan 0.000 0.500 283 T N 1.460 116.131 114.554 0.195 0.000 2.635 283 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 283 T C -0.281 174.558 174.700 0.232 0.000 1.040 283 T CA 2.020 64.382 62.100 0.438 0.000 1.156 283 T CB -1.248 67.757 68.868 0.229 0.000 0.863 283 T HN 0.213 nan 8.240 nan 0.000 0.430 284 P HA 0.159 nan 4.420 nan 0.000 0.220 284 P C 1.639 178.800 177.300 -0.232 0.000 1.154 284 P CA 0.576 63.635 63.100 -0.070 0.000 0.830 284 P CB -0.068 31.586 31.700 -0.076 0.000 0.803 285 V N 0.937 120.607 119.914 -0.406 0.000 2.307 285 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 285 V C 2.869 178.671 176.094 -0.488 0.000 1.045 285 V CA 1.488 63.500 62.300 -0.480 0.000 1.024 285 V CB -1.233 30.107 31.823 -0.805 0.000 0.651 285 V HN -0.029 nan 8.190 nan 0.000 0.449 286 L N 0.487 121.393 121.223 -0.528 0.000 1.994 286 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 286 L C 2.726 178.806 176.870 -1.318 0.000 1.071 286 L CA 1.910 56.227 54.840 -0.870 0.000 0.745 286 L CB -1.368 40.278 42.059 -0.688 0.000 0.892 286 L HN 0.474 nan 8.230 nan 0.000 0.431 287 G N -0.294 107.440 108.800 -1.776 0.000 2.450 287 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.220 287 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.220 287 G C 1.646 176.176 174.900 -0.617 0.000 1.130 287 G CA 1.006 45.008 45.100 -1.830 0.000 0.760 287 G HN 0.288 nan 8.290 nan 0.000 0.557 288 M N -0.211 119.166 119.600 -0.372 0.000 2.099 288 M HA 0.103 4.583 4.480 -0.000 0.000 0.262 288 M C 2.455 178.675 176.300 -0.132 0.000 1.067 288 M CA 1.224 56.492 55.300 -0.052 0.000 1.124 288 M CB -0.160 32.395 32.600 -0.075 0.000 1.353 288 M HN 0.199 nan 8.290 nan 0.000 0.410 289 L N -0.461 120.542 121.223 -0.367 0.000 2.046 289 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 289 L C 2.350 179.011 176.870 -0.349 0.000 1.077 289 L CA 1.560 56.154 54.840 -0.410 0.000 0.747 289 L CB -0.780 40.934 42.059 -0.576 0.000 0.896 289 L HN 0.329 nan 8.230 nan 0.000 0.432 290 F N 0.299 119.924 119.950 -0.542 0.000 2.051 290 F HA -0.225 4.302 4.527 -0.000 0.000 0.296 290 F C 2.665 178.031 175.800 -0.723 0.000 1.122 290 F CA 1.142 58.584 58.000 -0.930 0.000 1.201 290 F CB -0.120 38.097 39.000 -1.304 0.000 0.978 290 F HN 0.066 nan 8.300 nan 0.000 0.472 291 E N -0.897 119.192 120.200 -0.184 0.000 2.072 291 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 291 E C 1.732 178.200 176.600 -0.221 0.000 0.982 291 E CA 1.218 57.546 56.400 -0.120 0.000 0.803 291 E CB -0.191 29.616 29.700 0.179 0.000 0.755 291 E HN 0.488 nan 8.360 nan 0.000 0.453 292 Y N -0.432 119.797 120.300 -0.118 0.000 2.517 292 Y HA 0.157 4.707 4.550 -0.000 0.000 0.281 292 Y C 2.129 177.886 175.900 -0.238 0.000 1.125 292 Y CA 0.548 58.464 58.100 -0.307 0.000 1.283 292 Y CB 0.512 38.387 38.460 -0.975 0.000 1.042 292 Y HN 0.009 nan 8.280 nan 0.000 0.547 293 G N -0.538 108.241 108.800 -0.035 0.000 3.371 293 G HA2 0.252 4.212 3.960 -0.000 0.000 0.248 293 G HA3 0.252 4.212 3.960 -0.000 0.000 0.248 293 G C -0.035 174.941 174.900 0.126 0.000 1.161 293 G CA 0.249 45.338 45.100 -0.018 0.000 0.796 293 G HN 0.231 nan 8.290 nan 0.000 0.539 294 S N -1.519 114.227 115.700 0.076 0.000 2.661 294 S HA 0.670 5.140 4.470 -0.000 0.000 0.285 294 S C 0.385 174.848 174.600 -0.228 0.000 1.138 294 S CA -0.725 57.536 58.200 0.102 0.000 0.855 294 S CB 2.678 66.047 63.200 0.281 0.000 1.136 294 S HN -0.027 nan 8.310 nan 0.000 0.484 295 K N 0.428 120.567 120.400 -0.434 0.000 2.157 295 K HA 0.431 4.751 4.320 -0.000 0.000 0.207 295 K C -0.528 175.629 176.600 -0.738 0.000 1.030 295 K CA 0.189 56.005 56.287 -0.784 0.000 0.965 295 K CB -0.557 31.150 32.500 -1.322 0.000 0.877 295 K HN 0.633 nan 8.250 nan 0.000 0.460 296 F N 2.333 122.089 119.950 -0.323 0.000 2.420 296 F HA 0.349 4.876 4.527 0.000 0.000 0.352 296 F C 0.191 175.731 175.800 -0.434 0.000 1.108 296 F CA -0.826 56.961 58.000 -0.355 0.000 1.162 296 F CB 1.133 39.952 39.000 -0.302 0.000 1.118 296 F HN -0.228 nan 8.300 nan 0.000 0.510 297 K N 1.723 121.858 120.400 -0.441 0.000 2.143 297 K HA 0.409 4.729 4.320 -0.000 0.000 0.272 297 K C 0.318 176.437 176.600 -0.801 0.000 1.001 297 K CA -0.365 55.515 56.287 -0.679 0.000 0.915 297 K CB 1.574 33.442 32.500 -1.053 0.000 1.047 297 K HN 0.423 nan 8.250 nan 0.000 0.458 298 V N 0.649 119.680 119.914 -1.471 0.000 2.672 298 V HA 0.143 4.263 4.120 -0.000 0.000 0.242 298 V C 0.086 175.885 176.094 -0.492 0.000 1.059 298 V CA 0.662 62.304 62.300 -1.096 0.000 1.081 298 V CB 0.069 30.871 31.823 -1.701 0.000 0.752 298 V HN 0.799 nan 8.190 nan 0.000 0.472 299 E N -0.684 119.377 120.200 -0.231 0.000 2.380 299 E HA 0.304 4.654 4.350 -0.000 0.000 0.281 299 E C -3.015 173.854 176.600 0.449 0.000 0.999 299 E CA -1.697 54.779 56.400 0.127 0.000 0.800 299 E CB 2.717 32.456 29.700 0.064 0.000 1.228 299 E HN 0.053 nan 8.360 nan 0.000 0.436 300 P HA 0.000 nan 4.420 nan 0.000 0.271 300 P C 0.130 177.661 177.300 0.385 0.000 1.220 300 P CA -0.155 63.197 63.100 0.421 0.000 0.768 300 P CB 0.319 31.994 31.700 -0.042 0.000 0.848 301 W N 4.479 125.942 121.300 0.273 0.000 2.325 301 W HA -0.237 4.423 4.660 -0.000 0.000 0.299 301 W C 1.162 177.704 176.519 0.037 0.000 1.215 301 W CA 1.568 58.947 57.345 0.058 0.000 1.244 301 W CB -0.221 29.104 29.460 -0.225 0.000 1.140 301 W HN 0.122 nan 8.180 nan 0.000 0.523 302 V N 1.273 121.229 119.914 0.070 0.000 2.282 302 V HA -0.367 3.753 4.120 -0.000 0.000 0.249 302 V C 2.300 178.321 176.094 -0.122 0.000 1.057 302 V CA 2.822 65.067 62.300 -0.092 0.000 1.032 302 V CB -1.576 30.194 31.823 -0.089 0.000 0.645 302 V HN 0.308 nan 8.190 nan 0.000 0.447 303 K N 0.578 120.917 120.400 -0.102 0.000 2.167 303 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 303 K C 2.030 178.536 176.600 -0.157 0.000 1.052 303 K CA 1.681 57.915 56.287 -0.089 0.000 0.956 303 K CB -0.851 31.612 32.500 -0.061 0.000 0.735 303 K HN 0.438 nan 8.250 nan 0.000 0.451 304 T N 0.824 115.225 114.554 -0.255 0.000 2.674 304 T HA -0.197 4.153 4.350 -0.000 0.000 0.265 304 T C 1.277 175.481 174.700 -0.826 0.000 1.039 304 T CA 1.613 63.401 62.100 -0.521 0.000 1.150 304 T CB -0.474 68.085 68.868 -0.516 0.000 0.864 304 T HN 0.518 nan 8.240 nan 0.000 0.427 305 W N 2.352 122.951 121.300 -1.169 0.000 2.335 305 W HA -0.166 4.494 4.660 0.000 0.000 0.311 305 W C 2.260 178.575 176.519 -0.340 0.000 1.213 305 W CA 1.633 58.404 57.345 -0.956 0.000 1.274 305 W CB -0.360 28.457 29.460 -1.071 0.000 1.148 305 W HN 0.276 nan 8.180 nan 0.000 0.498 306 D N -0.134 120.308 120.400 0.069 0.000 2.123 306 D HA -0.269 4.371 4.640 -0.000 0.000 0.196 306 D C 2.195 178.507 176.300 0.019 0.000 0.992 306 D CA 1.677 55.728 54.000 0.085 0.000 0.833 306 D CB -0.281 40.561 40.800 0.071 0.000 0.954 306 D HN 0.217 nan 8.370 nan 0.000 0.455 307 R N -0.717 119.781 120.500 -0.004 0.000 2.066 307 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 307 R C 2.444 178.855 176.300 0.185 0.000 1.131 307 R CA 1.406 57.561 56.100 0.092 0.000 0.955 307 R CB -0.298 30.064 30.300 0.103 0.000 0.851 307 R HN 0.195 nan 8.270 nan 0.000 0.432 308 W N 0.226 121.443 121.300 -0.139 0.000 2.329 308 W HA -0.142 4.518 4.660 0.000 0.000 0.324 308 W C 2.233 178.611 176.519 -0.236 0.000 1.222 308 W CA 0.717 57.949 57.345 -0.188 0.000 1.270 308 W CB -1.176 28.126 29.460 -0.263 0.000 1.167 308 W HN -0.061 nan 8.180 nan 0.000 0.467 309 V N -1.163 118.631 119.914 -0.200 0.000 2.283 309 V HA -0.290 3.830 4.120 -0.000 0.000 0.243 309 V C 1.930 178.060 176.094 0.060 0.000 1.039 309 V CA 1.758 63.896 62.300 -0.269 0.000 1.016 309 V CB -1.239 30.027 31.823 -0.928 0.000 0.650 309 V HN 0.017 nan 8.190 nan 0.000 0.449 310 Y N 1.006 121.219 120.300 -0.145 0.000 2.176 310 Y HA -0.001 4.549 4.550 -0.000 0.000 0.291 310 Y C 2.729 178.647 175.900 0.029 0.000 1.122 310 Y CA 1.628 59.725 58.100 -0.005 0.000 1.128 310 Y CB -0.935 37.551 38.460 0.043 0.000 1.005 310 Y HN 0.332 nan 8.280 nan 0.000 0.509 311 E N 0.335 120.649 120.200 0.191 0.000 2.011 311 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 311 E C 1.790 178.449 176.600 0.097 0.000 0.979 311 E CA 1.589 58.063 56.400 0.123 0.000 0.822 311 E CB -1.102 28.670 29.700 0.120 0.000 0.782 311 E HN 0.390 nan 8.360 nan 0.000 0.459 312 D N -0.689 119.784 120.400 0.122 0.000 2.108 312 D HA -0.143 4.497 4.640 -0.000 0.000 0.190 312 D C 1.790 178.182 176.300 0.154 0.000 0.995 312 D CA 1.613 55.684 54.000 0.119 0.000 0.834 312 D CB -0.636 40.225 40.800 0.102 0.000 0.967 312 D HN 0.612 nan 8.370 nan 0.000 0.446 313 W N 1.420 122.702 121.300 -0.030 0.000 2.474 313 W HA 0.085 4.745 4.660 -0.000 0.000 0.319 313 W C 2.573 179.106 176.519 0.023 0.000 1.165 313 W CA 2.055 59.395 57.345 -0.009 0.000 1.356 313 W CB -0.891 28.484 29.460 -0.143 0.000 1.172 313 W HN 0.024 nan 8.180 nan 0.000 0.478 314 G N -0.078 108.769 108.800 0.079 0.000 2.485 314 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.221 314 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.221 314 G C 1.403 176.136 174.900 -0.278 0.000 1.115 314 G CA 1.315 46.267 45.100 -0.246 0.000 0.751 314 G HN 0.542 nan 8.290 nan 0.000 0.567 315 G N 0.494 109.208 108.800 -0.143 0.000 2.724 315 G HA2 0.141 4.101 3.960 -0.000 0.000 0.217 315 G HA3 0.141 4.101 3.960 -0.000 0.000 0.217 315 G C 1.624 176.466 174.900 -0.098 0.000 1.251 315 G CA 0.436 45.469 45.100 -0.112 0.000 0.867 315 G HN 0.318 nan 8.290 nan 0.000 0.590 316 I N -0.504 120.048 120.570 -0.030 0.000 2.060 316 I HA -0.162 4.008 4.170 -0.000 0.000 0.233 316 I C 2.592 178.703 176.117 -0.011 0.000 1.054 316 I CA 1.362 62.661 61.300 -0.001 0.000 1.318 316 I CB -0.447 37.590 38.000 0.063 0.000 1.054 316 I HN 0.348 nan 8.210 nan 0.000 0.395 317 W N 2.049 123.251 121.300 -0.164 0.000 2.301 317 W HA -0.295 4.365 4.660 -0.000 0.000 0.325 317 W C 2.416 178.771 176.519 -0.274 0.000 1.250 317 W CA 1.805 59.036 57.345 -0.189 0.000 1.261 317 W CB -0.318 29.017 29.460 -0.209 0.000 1.157 317 W HN 0.097 nan 8.180 nan 0.000 0.473 318 I N 1.494 121.822 120.570 -0.404 0.000 2.286 318 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 318 I C 2.905 178.817 176.117 -0.341 0.000 1.115 318 I CA 1.933 62.940 61.300 -0.488 0.000 1.392 318 I CB -1.572 36.054 38.000 -0.623 0.000 1.065 318 I HN 0.050 nan 8.210 nan 0.000 0.418 319 G N 0.106 108.748 108.800 -0.263 0.000 2.469 319 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.220 319 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.220 319 G C 1.928 176.713 174.900 -0.192 0.000 1.136 319 G CA 1.332 46.315 45.100 -0.195 0.000 0.759 319 G HN 0.439 nan 8.290 nan 0.000 0.562 320 R N 0.316 120.687 120.500 -0.216 0.000 2.189 320 R HA 0.328 4.668 4.340 -0.000 0.000 0.223 320 R C 2.295 178.486 176.300 -0.181 0.000 1.092 320 R CA 1.334 57.325 56.100 -0.181 0.000 0.989 320 R CB -0.898 29.294 30.300 -0.181 0.000 0.876 320 R HN 0.473 nan 8.270 nan 0.000 0.457 321 L N -0.105 120.977 121.223 -0.235 0.000 2.592 321 L HA 0.204 4.544 4.340 -0.000 0.000 0.227 321 L C 2.722 179.503 176.870 -0.148 0.000 1.127 321 L CA 0.390 55.140 54.840 -0.150 0.000 0.884 321 L CB 0.115 42.045 42.059 -0.215 0.000 1.065 321 L HN 0.475 nan 8.230 nan 0.000 0.457 322 G N 1.653 110.340 108.800 -0.189 0.000 2.469 322 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 322 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 322 G C 1.575 176.355 174.900 -0.199 0.000 1.136 322 G CA 0.926 45.927 45.100 -0.165 0.000 0.759 322 G HN 0.557 nan 8.290 nan 0.000 0.562 323 K N -0.563 119.641 120.400 -0.327 0.000 2.360 323 K HA -0.072 4.248 4.320 -0.000 0.000 0.201 323 K C 1.269 177.569 176.600 -0.499 0.000 1.046 323 K CA 1.074 57.093 56.287 -0.445 0.000 0.945 323 K CB -0.344 31.790 32.500 -0.611 0.000 0.750 323 K HN 0.506 nan 8.250 nan 0.000 0.464 324 Y N 0.148 120.372 120.300 -0.127 0.000 2.485 324 Y HA 0.246 4.796 4.550 -0.000 0.000 0.260 324 Y C 1.339 177.187 175.900 -0.087 0.000 1.173 324 Y CA -0.137 57.891 58.100 -0.120 0.000 1.252 324 Y CB 1.277 39.629 38.460 -0.181 0.000 1.123 324 Y HN 0.340 nan 8.280 nan 0.000 0.524 325 G N 0.025 108.830 108.800 0.008 0.000 2.176 325 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.232 325 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.232 325 G C -0.064 174.837 174.900 0.002 0.000 0.986 325 G CA -0.029 45.074 45.100 0.005 0.000 0.643 325 G HN 0.073 nan 8.290 nan 0.000 0.522 326 V N 1.438 121.347 119.914 -0.009 0.000 2.572 326 V HA 0.456 4.576 4.120 -0.000 0.000 0.291 326 V C 0.592 176.648 176.094 -0.062 0.000 1.039 326 V CA 0.339 62.622 62.300 -0.027 0.000 1.055 326 V CB 1.281 33.070 31.823 -0.056 0.000 0.969 326 V HN 0.447 nan 8.190 nan 0.000 0.482 327 E N 2.014 122.186 120.200 -0.047 0.000 2.281 327 E HA 0.434 4.784 4.350 -0.000 0.000 0.262 327 E C -0.596 175.946 176.600 -0.097 0.000 0.933 327 E CA -0.737 55.623 56.400 -0.067 0.000 0.809 327 E CB 1.804 31.486 29.700 -0.029 0.000 1.242 327 E HN 0.594 nan 8.360 nan 0.000 0.418 328 S N 1.474 117.097 115.700 -0.128 0.000 2.549 328 S HA 0.136 4.606 4.470 -0.000 0.000 0.283 328 S C -2.269 172.265 174.600 -0.110 0.000 1.320 328 S CA -1.165 56.928 58.200 -0.178 0.000 1.058 328 S CB 0.077 63.164 63.200 -0.188 0.000 0.882 328 S HN 0.158 nan 8.310 nan 0.000 0.498 329 P HA 0.060 nan 4.420 nan 0.000 0.261 329 P C 0.482 177.753 177.300 -0.048 0.000 1.183 329 P CA -0.043 63.025 63.100 -0.055 0.000 0.761 329 P CB 0.302 31.914 31.700 -0.147 0.000 0.785 330 R N 1.766 122.266 120.500 -0.001 0.000 2.193 330 R HA -0.095 4.245 4.340 -0.000 0.000 0.229 330 R C 1.144 177.446 176.300 0.003 0.000 1.110 330 R CA 1.800 57.927 56.100 0.044 0.000 0.988 330 R CB -0.767 29.616 30.300 0.137 0.000 0.871 330 R HN 0.422 nan 8.270 nan 0.000 0.458 331 S N 0.064 115.628 115.700 -0.226 0.000 2.605 331 S HA 0.056 4.526 4.470 -0.000 0.000 0.217 331 S C 1.606 176.381 174.600 0.292 0.000 0.958 331 S CA -0.292 57.701 58.200 -0.345 0.000 0.919 331 S CB 0.206 62.643 63.200 -1.272 0.000 0.780 331 S HN 0.244 nan 8.310 nan 0.000 0.507 332 L N 2.268 123.630 121.223 0.233 0.000 2.012 332 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 332 L C 2.814 179.995 176.870 0.519 0.000 1.073 332 L CA 2.537 57.568 54.840 0.319 0.000 0.748 332 L CB -1.291 40.745 42.059 -0.038 0.000 0.891 332 L HN 0.434 nan 8.230 nan 0.000 0.431 333 K N -1.062 119.579 120.400 0.402 0.000 2.032 333 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 333 K C 1.932 178.806 176.600 0.457 0.000 1.048 333 K CA 1.960 58.506 56.287 0.431 0.000 0.927 333 K CB -1.453 31.238 32.500 0.318 0.000 0.712 333 K HN 0.509 nan 8.250 nan 0.000 0.441 334 D N -0.095 120.602 120.400 0.494 0.000 2.123 334 D HA -0.029 4.611 4.640 -0.000 0.000 0.196 334 D C 2.245 178.930 176.300 0.643 0.000 0.992 334 D CA 1.644 55.978 54.000 0.558 0.000 0.833 334 D CB -0.325 40.880 40.800 0.675 0.000 0.954 334 D HN 0.505 nan 8.370 nan 0.000 0.455 335 A N 0.690 123.977 122.820 0.779 0.000 1.883 335 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 335 A C 2.073 179.896 177.584 0.399 0.000 1.186 335 A CA 2.048 54.452 52.037 0.612 0.000 0.624 335 A CB -0.569 18.897 19.000 0.778 0.000 0.822 335 A HN 0.202 nan 8.150 nan 0.000 0.444 336 K N -1.099 119.608 120.400 0.511 0.000 2.026 336 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 336 K C 2.604 179.252 176.600 0.080 0.000 1.048 336 K CA 1.991 58.411 56.287 0.222 0.000 0.929 336 K CB -0.424 32.269 32.500 0.322 0.000 0.713 336 K HN 0.516 nan 8.250 nan 0.000 0.439 337 Q N 1.036 120.957 119.800 0.203 0.000 2.096 337 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 337 Q C 1.660 177.770 176.000 0.185 0.000 0.982 337 Q CA 2.347 58.259 55.803 0.182 0.000 0.850 337 Q CB -0.872 27.998 28.738 0.220 0.000 0.901 337 Q HN 0.564 nan 8.270 nan 0.000 0.422 338 D N -0.758 119.768 120.400 0.211 0.000 2.317 338 D HA 0.252 4.892 4.640 -0.000 0.000 0.211 338 D C 1.982 178.345 176.300 0.105 0.000 0.966 338 D CA 0.938 55.061 54.000 0.205 0.000 0.876 338 D CB 0.030 40.996 40.800 0.276 0.000 0.927 338 D HN 0.607 nan 8.370 nan 0.000 0.519 339 A N -0.102 122.679 122.820 -0.066 0.000 1.897 339 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 339 A C 1.952 179.460 177.584 -0.126 0.000 1.181 339 A CA 0.867 52.725 52.037 -0.298 0.000 0.620 339 A CB -1.014 17.354 19.000 -1.052 0.000 0.821 339 A HN 0.287 nan 8.150 nan 0.000 0.443 340 Y N -0.820 119.387 120.300 -0.155 0.000 2.029 340 Y HA -0.339 4.211 4.550 -0.000 0.000 0.269 340 Y C 1.875 177.740 175.900 -0.057 0.000 1.201 340 Y CA 2.536 60.553 58.100 -0.138 0.000 1.115 340 Y CB -0.472 37.850 38.460 -0.230 0.000 0.945 340 Y HN 0.489 nan 8.280 nan 0.000 0.497 341 W N -1.495 119.954 121.300 0.249 0.000 3.278 341 W HA 0.339 4.999 4.660 0.000 0.000 0.308 341 W C 2.252 178.821 176.519 0.082 0.000 1.253 341 W CA 0.384 57.843 57.345 0.190 0.000 1.759 341 W CB -0.467 29.192 29.460 0.332 0.000 1.093 341 W HN 0.126 nan 8.180 nan 0.000 0.648 342 A N 1.244 124.232 122.820 0.280 0.000 1.915 342 A HA -0.363 3.957 4.320 -0.000 0.000 0.220 342 A C 1.617 179.284 177.584 0.139 0.000 1.198 342 A CA 2.628 54.785 52.037 0.200 0.000 0.647 342 A CB -1.417 17.661 19.000 0.130 0.000 0.825 342 A HN 0.673 nan 8.150 nan 0.000 0.456 343 H N -3.136 115.899 119.070 -0.058 0.000 2.428 343 H HA -0.011 4.545 4.556 0.000 0.000 0.296 343 H C 1.886 177.151 175.328 -0.104 0.000 1.062 343 H CA 1.353 57.315 56.048 -0.143 0.000 1.350 343 H CB -0.545 29.060 29.762 -0.261 0.000 1.403 343 H HN 0.700 nan 8.280 nan 0.000 0.533 344 H N 0.450 119.245 119.070 -0.459 0.000 2.357 344 H HA -0.089 4.467 4.556 -0.000 0.000 0.301 344 H C 1.498 176.766 175.328 -0.099 0.000 1.082 344 H CA 1.033 56.807 56.048 -0.457 0.000 1.342 344 H CB 0.144 29.414 29.762 -0.820 0.000 1.389 344 H HN 0.399 nan 8.280 nan 0.000 0.511 345 D N 0.428 120.993 120.400 0.275 0.000 2.144 345 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 345 D C 2.096 178.550 176.300 0.257 0.000 0.984 345 D CA 0.627 54.852 54.000 0.376 0.000 0.834 345 D CB -0.219 40.777 40.800 0.326 0.000 0.955 345 D HN 0.195 nan 8.370 nan 0.000 0.465 346 L N -0.371 120.948 121.223 0.160 0.000 2.109 346 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 346 L C 2.119 179.052 176.870 0.106 0.000 1.086 346 L CA 1.307 56.218 54.840 0.118 0.000 0.760 346 L CB -0.666 41.424 42.059 0.051 0.000 0.910 346 L HN -0.017 nan 8.230 nan 0.000 0.437 347 Y N -0.386 119.853 120.300 -0.103 0.000 2.274 347 Y HA -0.228 4.322 4.550 -0.000 0.000 0.290 347 Y C 2.239 178.222 175.900 0.139 0.000 1.145 347 Y CA 1.594 59.593 58.100 -0.167 0.000 1.203 347 Y CB -0.227 37.745 38.460 -0.813 0.000 0.984 347 Y HN 0.166 nan 8.280 nan 0.000 0.533 348 L N -0.796 120.576 121.223 0.248 0.000 2.079 348 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 348 L C 2.268 179.387 176.870 0.415 0.000 1.081 348 L CA 1.337 56.420 54.840 0.406 0.000 0.752 348 L CB -0.549 41.724 42.059 0.356 0.000 0.896 348 L HN 0.290 nan 8.230 nan 0.000 0.433 349 L N -1.055 120.297 121.223 0.215 0.000 2.131 349 L HA -0.095 4.245 4.340 -0.000 0.000 0.206 349 L C 2.846 179.701 176.870 -0.024 0.000 1.087 349 L CA 0.921 55.783 54.840 0.037 0.000 0.767 349 L CB -0.817 41.263 42.059 0.035 0.000 0.917 349 L HN 0.194 nan 8.230 nan 0.000 0.441 350 A N -0.480 122.327 122.820 -0.023 0.000 1.902 350 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 350 A C 2.200 179.734 177.584 -0.082 0.000 1.181 350 A CA 1.429 53.440 52.037 -0.043 0.000 0.623 350 A CB -0.780 18.205 19.000 -0.025 0.000 0.818 350 A HN 0.428 nan 8.150 nan 0.000 0.443 351 Y N 0.366 120.499 120.300 -0.279 0.000 2.220 351 Y HA 0.023 4.573 4.550 -0.000 0.000 0.291 351 Y C 2.656 178.556 175.900 0.000 0.000 1.129 351 Y CA 1.019 59.034 58.100 -0.142 0.000 1.161 351 Y CB -0.416 37.975 38.460 -0.115 0.000 0.997 351 Y HN 0.300 nan 8.280 nan 0.000 0.522 352 A N -0.130 122.681 122.820 -0.015 0.000 1.972 352 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 352 A C 1.704 179.058 177.584 -0.383 0.000 1.169 352 A CA 1.597 53.466 52.037 -0.280 0.000 0.635 352 A CB -0.919 17.923 19.000 -0.264 0.000 0.810 352 A HN 0.480 nan 8.150 nan 0.000 0.446 353 L N 0.247 121.291 121.223 -0.299 0.000 2.848 353 L HA 0.072 4.412 4.340 -0.000 0.000 0.240 353 L C 1.808 178.457 176.870 -0.369 0.000 1.232 353 L CA -0.523 54.121 54.840 -0.326 0.000 1.031 353 L CB -0.341 41.616 42.059 -0.171 0.000 1.338 353 L HN 0.822 nan 8.230 nan 0.000 0.509 354 W N 0.194 121.224 121.300 -0.450 0.000 2.331 354 W HA -0.100 4.560 4.660 -0.000 0.000 0.291 354 W C -1.390 174.846 176.519 -0.472 0.000 1.214 354 W CA 0.579 57.618 57.345 -0.511 0.000 1.228 354 W CB -1.953 27.075 29.460 -0.720 0.000 1.135 354 W HN 0.207 nan 8.180 nan 0.000 0.537 355 P HA -0.092 nan 4.420 nan 0.000 0.230 355 P C 1.705 178.734 177.300 -0.451 0.000 1.158 355 P CA 2.825 65.324 63.100 -1.001 0.000 0.769 355 P CB -0.321 30.634 31.700 -1.241 0.000 0.807 356 T N -4.876 109.476 114.554 -0.337 0.000 3.107 356 T HA 0.288 4.638 4.350 -0.000 0.000 0.249 356 T C 1.016 175.629 174.700 -0.145 0.000 1.096 356 T CA -0.127 61.876 62.100 -0.161 0.000 1.012 356 T CB -0.414 68.427 68.868 -0.046 0.000 0.977 356 T HN -0.041 nan 8.240 nan 0.000 0.527 357 G N 1.147 109.748 108.800 -0.331 0.000 2.532 357 G HA2 0.522 4.482 3.960 -0.000 0.000 0.291 357 G HA3 0.522 4.482 3.960 -0.000 0.000 0.291 357 G C -0.262 174.369 174.900 -0.448 0.000 1.349 357 G CA -1.161 43.570 45.100 -0.615 0.000 1.038 357 G HN 0.529 nan 8.290 nan 0.000 0.518 358 F N -1.392 118.150 119.950 -0.680 0.000 2.835 358 F HA 0.622 5.149 4.527 -0.000 0.000 0.342 358 F C -0.834 174.887 175.800 -0.132 0.000 1.202 358 F CA -1.540 56.312 58.000 -0.246 0.000 1.240 358 F CB 0.033 39.009 39.000 -0.040 0.000 1.005 358 F HN 0.292 nan 8.300 nan 0.000 0.507 359 F N -1.377 118.370 119.950 -0.340 0.000 2.713 359 F HA 0.737 5.264 4.527 -0.000 0.000 0.311 359 F C -0.855 174.816 175.800 -0.216 0.000 1.141 359 F CA -2.264 55.519 58.000 -0.362 0.000 0.939 359 F CB 1.067 39.703 39.000 -0.606 0.000 1.325 359 F HN -0.218 nan 8.300 nan 0.000 0.453 360 R N 1.639 122.150 120.500 0.018 0.000 2.368 360 R HA 0.765 5.105 4.340 -0.000 0.000 0.302 360 R C -1.157 175.192 176.300 0.082 0.000 1.002 360 R CA -0.602 55.473 56.100 -0.042 0.000 0.929 360 R CB 1.366 31.620 30.300 -0.078 0.000 1.073 360 R HN 0.616 nan 8.270 nan 0.000 0.464 361 L N 1.418 122.675 121.223 0.056 0.000 2.322 361 L HA 0.827 5.167 4.340 -0.000 0.000 0.269 361 L C -0.222 176.813 176.870 0.277 0.000 1.012 361 L CA -1.086 53.899 54.840 0.243 0.000 0.815 361 L CB 2.015 44.276 42.059 0.338 0.000 1.295 361 L HN 0.685 nan 8.230 nan 0.000 0.438 362 A N 1.924 124.961 122.820 0.361 0.000 2.435 362 A HA 0.745 5.065 4.320 -0.000 0.000 0.304 362 A C -0.874 176.814 177.584 0.174 0.000 1.064 362 A CA -0.599 51.600 52.037 0.269 0.000 0.727 362 A CB 1.307 20.417 19.000 0.183 0.000 1.284 362 A HN 0.604 nan 8.150 nan 0.000 0.415 363 L N 1.679 122.915 121.223 0.023 0.000 2.436 363 L HA 0.299 4.639 4.340 -0.000 0.000 0.265 363 L C -2.001 174.843 176.870 -0.043 0.000 1.168 363 L CA -1.648 53.086 54.840 -0.176 0.000 0.815 363 L CB 0.539 42.530 42.059 -0.114 0.000 1.109 363 L HN 0.446 nan 8.230 nan 0.000 0.462 364 P HA 0.014 nan 4.420 nan 0.000 0.268 364 P C -1.248 176.115 177.300 0.105 0.000 1.204 364 P CA -0.287 62.871 63.100 0.097 0.000 0.768 364 P CB 0.361 32.234 31.700 0.289 0.000 0.842 365 D N 1.460 121.897 120.400 0.062 0.000 2.423 365 D HA 0.056 4.696 4.640 -0.000 0.000 0.255 365 D C 1.144 177.492 176.300 0.081 0.000 1.174 365 D CA -0.397 53.638 54.000 0.058 0.000 1.008 365 D CB 0.288 41.095 40.800 0.012 0.000 1.101 365 D HN 0.119 nan 8.370 nan 0.000 0.516 366 Q N -0.054 119.791 119.800 0.075 0.000 2.045 366 Q HA -0.278 4.062 4.340 -0.000 0.000 0.206 366 Q C 1.854 177.888 176.000 0.057 0.000 0.991 366 Q CA 2.485 58.337 55.803 0.082 0.000 0.851 366 Q CB -0.454 28.319 28.738 0.058 0.000 0.911 366 Q HN 0.755 nan 8.270 nan 0.000 0.418 367 E N -0.533 119.674 120.200 0.012 0.000 2.110 367 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 367 E C 1.693 178.275 176.600 -0.029 0.000 0.988 367 E CA 1.307 57.699 56.400 -0.014 0.000 0.804 367 E CB -0.019 29.648 29.700 -0.055 0.000 0.745 367 E HN 0.557 nan 8.360 nan 0.000 0.458 368 E N -0.068 120.093 120.200 -0.065 0.000 2.072 368 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 368 E C 2.186 178.764 176.600 -0.037 0.000 0.982 368 E CA 1.116 57.424 56.400 -0.153 0.000 0.803 368 E CB -0.068 29.524 29.700 -0.180 0.000 0.755 368 E HN 0.363 nan 8.360 nan 0.000 0.453 369 M N 0.627 120.304 119.600 0.129 0.000 2.149 369 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 369 M C 1.970 178.356 176.300 0.145 0.000 1.064 369 M CA 1.501 56.927 55.300 0.211 0.000 1.102 369 M CB -0.295 32.589 32.600 0.473 0.000 1.369 369 M HN 0.106 nan 8.290 nan 0.000 0.408 370 E N -0.810 119.455 120.200 0.108 0.000 2.072 370 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 370 E C 1.664 178.295 176.600 0.052 0.000 0.985 370 E CA 1.365 57.811 56.400 0.077 0.000 0.801 370 E CB -0.221 29.511 29.700 0.053 0.000 0.750 370 E HN 0.599 nan 8.360 nan 0.000 0.452 371 W N 0.707 121.902 121.300 -0.175 0.000 2.358 371 W HA -0.160 4.500 4.660 -0.000 0.000 0.303 371 W C 1.642 178.022 176.519 -0.232 0.000 1.208 371 W CA 1.450 58.649 57.345 -0.244 0.000 1.274 371 W CB -0.395 28.830 29.460 -0.391 0.000 1.138 371 W HN -0.036 nan 8.180 nan 0.000 0.515 372 F N 0.655 120.518 119.950 -0.144 0.000 2.075 372 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 372 F C 2.526 178.177 175.800 -0.249 0.000 1.113 372 F CA 1.746 59.460 58.000 -0.477 0.000 1.218 372 F CB -0.848 37.221 39.000 -1.551 0.000 0.984 372 F HN -0.132 nan 8.300 nan 0.000 0.472 373 E N 0.820 121.098 120.200 0.129 0.000 2.077 373 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 373 E C 2.054 178.725 176.600 0.118 0.000 0.989 373 E CA 1.391 57.961 56.400 0.284 0.000 0.800 373 E CB -0.394 29.496 29.700 0.316 0.000 0.746 373 E HN 0.267 nan 8.360 nan 0.000 0.452 374 A N 0.645 123.443 122.820 -0.036 0.000 1.902 374 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 374 A C 2.018 179.467 177.584 -0.225 0.000 1.181 374 A CA 1.757 53.720 52.037 -0.125 0.000 0.623 374 A CB -0.539 18.349 19.000 -0.187 0.000 0.818 374 A HN 0.302 nan 8.150 nan 0.000 0.443 375 N N -1.949 116.506 118.700 -0.408 0.000 2.424 375 N HA 0.036 4.776 4.740 -0.000 0.000 0.178 375 N C -0.800 174.329 175.510 -0.636 0.000 1.060 375 N CA 0.656 53.336 53.050 -0.616 0.000 0.901 375 N CB 0.248 38.104 38.487 -1.051 0.000 0.979 375 N HN 0.555 nan 8.380 nan 0.000 0.451 376 Y N 0.311 120.581 120.300 -0.050 0.000 2.592 376 Y HA 0.378 4.928 4.550 -0.000 0.000 0.354 376 Y C -2.465 173.634 175.900 0.332 0.000 1.063 376 Y CA -2.257 55.901 58.100 0.096 0.000 1.205 376 Y CB 1.072 39.533 38.460 0.002 0.000 1.106 376 Y HN -0.138 nan 8.280 nan 0.000 0.649 377 P HA 0.036 nan 4.420 nan 0.000 0.260 377 P C 1.025 178.665 177.300 0.566 0.000 1.172 377 P CA 2.003 65.330 63.100 0.378 0.000 0.760 377 P CB 0.567 32.410 31.700 0.237 0.000 0.773 378 G N 2.192 111.291 108.800 0.498 0.000 2.195 378 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.224 378 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.224 378 G C 0.828 175.997 174.900 0.448 0.000 0.990 378 G CA 0.070 45.425 45.100 0.425 0.000 0.639 378 G HN 0.545 nan 8.290 nan 0.000 0.514 379 W N 0.465 122.055 121.300 0.483 0.000 2.354 379 W HA -0.018 4.642 4.660 0.000 0.000 0.315 379 W C 2.169 178.883 176.519 0.325 0.000 1.206 379 W CA 2.580 60.201 57.345 0.459 0.000 1.290 379 W CB -0.406 29.260 29.460 0.344 0.000 1.152 379 W HN 0.347 nan 8.180 nan 0.000 0.489 380 Y N 1.578 122.181 120.300 0.504 0.000 2.097 380 Y HA -0.314 4.236 4.550 -0.000 0.000 0.282 380 Y C 2.283 178.156 175.900 -0.045 0.000 1.152 380 Y CA 2.518 60.759 58.100 0.236 0.000 1.136 380 Y CB -0.727 37.931 38.460 0.329 0.000 0.975 380 Y HN -0.131 nan 8.280 nan 0.000 0.498 381 D N -1.347 119.030 120.400 -0.037 0.000 2.271 381 D HA -0.190 4.450 4.640 -0.000 0.000 0.207 381 D C 1.410 177.501 176.300 -0.349 0.000 0.983 381 D CA 1.839 55.730 54.000 -0.181 0.000 0.878 381 D CB -0.122 40.676 40.800 -0.004 0.000 0.920 381 D HN 0.566 nan 8.370 nan 0.000 0.479 382 H N -1.291 117.443 119.070 -0.560 0.000 2.356 382 H HA 0.045 4.601 4.556 -0.000 0.000 0.306 382 H C 1.643 176.357 175.328 -1.023 0.000 1.142 382 H CA 0.732 56.299 56.048 -0.802 0.000 1.673 382 H CB -0.311 28.829 29.762 -1.036 0.000 1.505 382 H HN -0.062 nan 8.280 nan 0.000 0.638 383 Y N 0.214 119.908 120.300 -1.009 0.000 2.163 383 Y HA -0.008 4.542 4.550 0.000 0.000 0.288 383 Y C 2.785 177.873 175.900 -1.352 0.000 1.136 383 Y CA 1.056 58.350 58.100 -1.342 0.000 1.147 383 Y CB -0.913 36.692 38.460 -1.425 0.000 0.987 383 Y HN 0.407 nan 8.280 nan 0.000 0.509 384 G N 0.644 108.719 108.800 -1.210 0.000 2.553 384 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 384 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 384 G C 1.612 176.126 174.900 -0.643 0.000 1.195 384 G CA 1.437 46.134 45.100 -0.673 0.000 0.779 384 G HN 0.344 nan 8.290 nan 0.000 0.577 385 K N -0.176 119.669 120.400 -0.925 0.000 2.103 385 K HA -0.045 4.275 4.320 -0.000 0.000 0.207 385 K C 2.440 178.643 176.600 -0.661 0.000 1.048 385 K CA 0.974 56.852 56.287 -0.682 0.000 0.930 385 K CB -0.196 31.931 32.500 -0.621 0.000 0.716 385 K HN 0.239 nan 8.250 nan 0.000 0.444 386 I N 0.368 120.360 120.570 -0.964 0.000 2.179 386 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 386 I C 2.138 177.406 176.117 -1.415 0.000 1.088 386 I CA 1.735 62.209 61.300 -1.376 0.000 1.357 386 I CB -1.223 35.671 38.000 -1.843 0.000 1.051 386 I HN 0.183 nan 8.210 nan 0.000 0.409 387 Y N 1.298 121.053 120.300 -0.908 0.000 2.224 387 Y HA -0.208 4.342 4.550 -0.000 0.000 0.289 387 Y C 2.682 178.431 175.900 -0.251 0.000 1.146 387 Y CA 1.039 58.819 58.100 -0.533 0.000 1.182 387 Y CB -0.300 38.001 38.460 -0.266 0.000 0.983 387 Y HN 0.255 nan 8.280 nan 0.000 0.524 388 E N 0.121 120.262 120.200 -0.097 0.000 2.110 388 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 388 E C 2.044 178.622 176.600 -0.037 0.000 0.988 388 E CA 1.208 57.601 56.400 -0.011 0.000 0.804 388 E CB -0.080 29.619 29.700 -0.002 0.000 0.745 388 E HN 0.531 nan 8.360 nan 0.000 0.458 389 E N -0.036 120.063 120.200 -0.168 0.000 2.047 389 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 389 E C 1.686 178.324 176.600 0.063 0.000 0.987 389 E CA 0.926 57.268 56.400 -0.097 0.000 0.799 389 E CB 0.016 29.603 29.700 -0.188 0.000 0.752 389 E HN 0.288 nan 8.360 nan 0.000 0.449 390 W N 1.365 122.605 121.300 -0.101 0.000 2.342 390 W HA -0.112 4.548 4.660 -0.000 0.000 0.297 390 W C 2.458 179.064 176.519 0.146 0.000 1.213 390 W CA 0.761 58.165 57.345 0.099 0.000 1.251 390 W CB -1.057 28.546 29.460 0.239 0.000 1.136 390 W HN 0.198 nan 8.180 nan 0.000 0.526 391 R N 0.705 121.408 120.500 0.339 0.000 2.073 391 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 391 R C 2.248 178.642 176.300 0.156 0.000 1.134 391 R CA 2.140 58.389 56.100 0.249 0.000 0.952 391 R CB -0.638 29.771 30.300 0.182 0.000 0.850 391 R HN 0.016 nan 8.270 nan 0.000 0.433 392 A N 1.159 124.034 122.820 0.092 0.000 1.972 392 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 392 A C 1.995 179.569 177.584 -0.018 0.000 1.169 392 A CA 1.017 53.075 52.037 0.036 0.000 0.635 392 A CB -0.348 18.661 19.000 0.016 0.000 0.810 392 A HN 0.233 nan 8.150 nan 0.000 0.446 393 R N -1.009 119.427 120.500 -0.106 0.000 2.280 393 R HA 0.013 4.353 4.340 -0.000 0.000 0.207 393 R C 1.213 177.413 176.300 -0.167 0.000 1.043 393 R CA 0.768 56.641 56.100 -0.379 0.000 1.006 393 R CB -0.871 28.715 30.300 -1.189 0.000 0.885 393 R HN 0.934 nan 8.270 nan 0.000 0.467 394 G N 0.948 109.799 108.800 0.086 0.000 2.165 394 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.226 394 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.226 394 G C 0.986 176.178 174.900 0.486 0.000 1.035 394 G CA 0.266 45.509 45.100 0.238 0.000 0.744 394 G HN 0.451 nan 8.290 nan 0.000 0.501 395 C N -1.448 118.215 119.300 0.606 0.000 2.422 395 C HA 0.193 4.653 4.460 -0.000 0.000 0.286 395 C C 1.994 177.309 174.990 0.541 0.000 1.412 395 C CA 1.513 60.945 59.018 0.689 0.000 1.786 395 C CB -0.538 27.618 27.740 0.693 0.000 1.835 395 C HN 0.636 nan 8.230 nan 0.000 0.533 396 E N 0.621 121.112 120.200 0.485 0.000 2.340 396 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 396 E C 0.215 177.177 176.600 0.604 0.000 0.996 396 E CA 0.164 56.850 56.400 0.477 0.000 0.869 396 E CB -0.014 29.869 29.700 0.306 0.000 0.835 396 E HN 0.628 nan 8.360 nan 0.000 0.493 397 D N 0.709 121.368 120.400 0.432 0.000 2.232 397 D HA 0.073 4.713 4.640 -0.000 0.000 0.242 397 D C -1.968 174.173 176.300 -0.265 0.000 1.093 397 D CA -2.370 51.707 54.000 0.128 0.000 0.845 397 D CB 1.783 42.618 40.800 0.059 0.000 1.124 397 D HN -0.225 nan 8.370 nan 0.000 0.467 398 P HA -0.117 nan 4.420 nan 0.000 0.219 398 P C 1.075 177.918 177.300 -0.762 0.000 1.146 398 P CA 1.001 63.164 63.100 -1.561 0.000 0.808 398 P CB 0.214 31.320 31.700 -0.991 0.000 0.779 399 S N -1.750 113.724 115.700 -0.378 0.000 2.593 399 S HA 0.011 4.481 4.470 -0.000 0.000 0.217 399 S C 1.817 176.366 174.600 -0.084 0.000 0.966 399 S CA 0.513 58.601 58.200 -0.187 0.000 0.914 399 S CB -1.141 61.988 63.200 -0.118 0.000 0.776 399 S HN 0.183 nan 8.310 nan 0.000 0.523 400 S N 1.412 117.086 115.700 -0.044 0.000 2.406 400 S HA 0.248 4.718 4.470 -0.000 0.000 0.228 400 S C 1.842 176.540 174.600 0.163 0.000 1.020 400 S CA 0.758 59.021 58.200 0.106 0.000 0.965 400 S CB -1.281 62.068 63.200 0.249 0.000 0.798 400 S HN 1.563 nan 8.310 nan 0.000 0.488 401 G N 0.787 109.678 108.800 0.152 0.000 2.176 401 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.252 401 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.252 401 G C -0.276 174.812 174.900 0.314 0.000 1.024 401 G CA 0.401 45.611 45.100 0.183 0.000 0.755 401 G HN 0.769 nan 8.290 nan 0.000 0.507 402 F N 0.054 120.167 119.950 0.272 0.000 2.540 402 F HA 0.814 5.341 4.527 -0.000 0.000 0.317 402 F C -0.484 175.487 175.800 0.285 0.000 1.104 402 F CA -1.684 56.458 58.000 0.236 0.000 0.913 402 F CB 1.320 40.442 39.000 0.203 0.000 1.170 402 F HN 0.022 nan 8.300 nan 0.000 0.450 403 I N 7.631 127.657 120.570 -0.906 0.000 2.569 403 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 403 I C -1.909 173.431 176.117 -1.294 0.000 1.088 403 I CA -2.144 58.665 61.300 -0.818 0.000 1.047 403 I CB 2.713 40.374 38.000 -0.565 0.000 1.237 403 I HN 0.437 nan 8.210 nan 0.000 0.421 404 P HA -0.236 nan 4.420 nan 0.000 0.218 404 P C 1.623 178.674 177.300 -0.414 0.000 1.150 404 P CA 1.028 63.477 63.100 -1.086 0.000 0.841 404 P CB 0.250 31.084 31.700 -1.444 0.000 0.784 405 L N -1.408 119.584 121.223 -0.385 0.000 2.081 405 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 405 L C 2.179 179.040 176.870 -0.016 0.000 1.080 405 L CA 1.917 56.649 54.840 -0.180 0.000 0.754 405 L CB -1.125 40.739 42.059 -0.325 0.000 0.893 405 L HN -0.034 nan 8.230 nan 0.000 0.433 406 M N -2.745 116.771 119.600 -0.140 0.000 2.159 406 M HA -0.249 4.231 4.480 -0.000 0.000 0.263 406 M C 2.111 178.524 176.300 0.188 0.000 1.063 406 M CA 2.129 57.424 55.300 -0.007 0.000 1.110 406 M CB -0.697 31.890 32.600 -0.022 0.000 1.374 406 M HN 0.485 nan 8.290 nan 0.000 0.411 407 W N 0.606 121.978 121.300 0.120 0.000 2.363 407 W HA -0.189 4.471 4.660 -0.000 0.000 0.296 407 W C 1.585 178.189 176.519 0.142 0.000 1.212 407 W CA 1.444 58.922 57.345 0.223 0.000 1.260 407 W CB -0.298 29.381 29.460 0.366 0.000 1.131 407 W HN 0.047 nan 8.180 nan 0.000 0.530 408 F N 0.348 120.456 119.950 0.264 0.000 2.171 408 F HA -0.245 4.282 4.527 -0.000 0.000 0.300 408 F C 2.230 177.951 175.800 -0.131 0.000 1.090 408 F CA 1.228 59.284 58.000 0.094 0.000 1.293 408 F CB -0.889 38.206 39.000 0.157 0.000 1.013 408 F HN -0.177 nan 8.300 nan 0.000 0.486 409 I N 0.244 120.853 120.570 0.064 0.000 2.202 409 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 409 I C 2.125 178.153 176.117 -0.148 0.000 1.091 409 I CA 1.452 62.715 61.300 -0.063 0.000 1.368 409 I CB -1.521 36.443 38.000 -0.060 0.000 1.058 409 I HN 0.242 nan 8.210 nan 0.000 0.410 410 E N 0.823 120.930 120.200 -0.154 0.000 2.153 410 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 410 E C 1.125 177.524 176.600 -0.335 0.000 0.988 410 E CA 0.868 57.149 56.400 -0.199 0.000 0.811 410 E CB -0.160 29.457 29.700 -0.139 0.000 0.746 410 E HN 0.514 nan 8.360 nan 0.000 0.466 411 N N 1.192 119.572 118.700 -0.532 0.000 2.251 411 N HA -0.021 4.719 4.740 -0.000 0.000 0.217 411 N C -0.279 174.780 175.510 -0.752 0.000 1.124 411 N CA -0.004 52.623 53.050 -0.705 0.000 0.843 411 N CB 0.261 38.098 38.487 -1.084 0.000 1.024 411 N HN 0.165 nan 8.380 nan 0.000 0.501 412 N N 1.448 119.866 118.700 -0.469 0.000 2.667 412 N HA -0.227 4.513 4.740 -0.000 0.000 0.263 412 N C -1.376 173.905 175.510 -0.382 0.000 1.038 412 N CA 0.748 53.584 53.050 -0.358 0.000 0.749 412 N CB -1.339 36.967 38.487 -0.303 0.000 0.892 412 N HN 0.509 nan 8.380 nan 0.000 0.546 413 H N 0.680 119.677 119.070 -0.123 0.000 2.645 413 H HA 0.312 4.868 4.556 -0.000 0.000 0.257 413 H C -2.074 173.278 175.328 0.039 0.000 1.269 413 H CA -1.466 54.575 56.048 -0.012 0.000 1.409 413 H CB 1.084 30.846 29.762 -0.000 0.000 1.434 413 H HN 0.261 nan 8.280 nan 0.000 0.505 414 P HA 0.035 nan 4.420 nan 0.000 0.271 414 P C -0.329 176.687 177.300 -0.473 0.000 1.216 414 P CA -0.171 62.723 63.100 -0.343 0.000 0.776 414 P CB 1.648 33.027 31.700 -0.535 0.000 0.881 415 I N 3.545 123.775 120.570 -0.567 0.000 2.339 415 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 415 I C 0.356 176.131 176.117 -0.569 0.000 0.994 415 I CA -0.806 60.237 61.300 -0.428 0.000 1.191 415 I CB -0.142 37.738 38.000 -0.200 0.000 1.343 415 I HN 0.357 nan 8.210 nan 0.000 0.458 416 Y N 5.445 125.527 120.300 -0.363 0.000 2.568 416 Y HA 0.585 5.135 4.550 -0.000 0.000 0.327 416 Y C 0.286 176.118 175.900 -0.113 0.000 1.163 416 Y CA -1.037 56.851 58.100 -0.353 0.000 1.219 416 Y CB 1.808 39.817 38.460 -0.751 0.000 1.308 416 Y HN 0.235 nan 8.280 nan 0.000 0.503 417 I N 1.469 122.210 120.570 0.285 0.000 2.418 417 I HA 0.109 4.279 4.170 -0.000 0.000 0.287 417 I C -0.769 175.547 176.117 0.332 0.000 1.008 417 I CA -0.912 60.563 61.300 0.292 0.000 1.104 417 I CB 1.092 39.168 38.000 0.127 0.000 1.264 417 I HN 0.643 nan 8.210 nan 0.000 0.438 418 D N 4.465 125.105 120.400 0.399 0.000 2.472 418 D HA -0.043 4.597 4.640 -0.000 0.000 0.248 418 D C 1.337 177.657 176.300 0.032 0.000 1.174 418 D CA 0.249 54.347 54.000 0.163 0.000 0.883 418 D CB 0.980 41.807 40.800 0.045 0.000 1.149 418 D HN 0.379 nan 8.370 nan 0.000 0.488 419 R N 2.986 123.409 120.500 -0.128 0.000 2.152 419 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 419 R C 1.195 177.541 176.300 0.077 0.000 1.117 419 R CA 1.459 57.511 56.100 -0.080 0.000 0.981 419 R CB -0.278 29.841 30.300 -0.301 0.000 0.870 419 R HN 0.440 nan 8.270 nan 0.000 0.451 420 V N -0.685 119.268 119.914 0.066 0.000 2.403 420 V HA -0.050 4.070 4.120 -0.000 0.000 0.239 420 V C 1.973 178.071 176.094 0.007 0.000 1.041 420 V CA 1.604 63.881 62.300 -0.039 0.000 1.051 420 V CB -0.095 31.623 31.823 -0.175 0.000 0.704 420 V HN 0.564 nan 8.190 nan 0.000 0.472 421 S N -1.313 114.404 115.700 0.027 0.000 2.528 421 S HA -0.102 4.368 4.470 -0.000 0.000 0.219 421 S C 1.191 175.790 174.600 -0.002 0.000 0.985 421 S CA 0.463 58.669 58.200 0.011 0.000 0.914 421 S CB 0.069 63.284 63.200 0.026 0.000 0.776 421 S HN 0.536 nan 8.310 nan 0.000 0.526 422 Q N -0.908 118.907 119.800 0.025 0.000 2.324 422 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 422 Q C -0.200 175.842 176.000 0.070 0.000 0.645 422 Q CA 0.925 56.739 55.803 0.017 0.000 1.377 422 Q CB -2.794 25.906 28.738 -0.063 0.000 1.486 422 Q HN 0.577 nan 8.270 nan 0.000 0.796 423 V N 3.136 123.111 119.914 0.102 0.000 2.521 423 V HA 0.181 4.301 4.120 -0.000 0.000 0.286 423 V C -1.802 174.436 176.094 0.240 0.000 1.034 423 V CA -0.784 61.597 62.300 0.136 0.000 1.045 423 V CB 0.789 32.660 31.823 0.080 0.000 0.974 423 V HN -0.014 nan 8.190 nan 0.000 0.480 424 P HA 0.397 nan 4.420 nan 0.000 0.275 424 P C -1.011 176.539 177.300 0.416 0.000 1.228 424 P CA -0.066 63.203 63.100 0.282 0.000 0.786 424 P CB 0.452 32.237 31.700 0.141 0.000 0.927 425 F N -0.116 119.929 119.950 0.159 0.000 2.619 425 F HA 0.565 5.092 4.527 -0.000 0.000 0.308 425 F C -1.553 174.382 175.800 0.224 0.000 1.097 425 F CA -1.613 56.495 58.000 0.180 0.000 0.953 425 F CB 0.591 39.698 39.000 0.178 0.000 1.287 425 F HN 0.333 nan 8.300 nan 0.000 0.446 426 C N 6.387 125.837 119.300 0.250 0.000 2.816 426 C HA 0.464 4.924 4.460 -0.000 0.000 0.255 426 C C -1.100 174.039 174.990 0.249 0.000 1.141 426 C CA -1.670 57.455 59.018 0.178 0.000 1.554 426 C CB -0.176 27.718 27.740 0.257 0.000 1.778 426 C HN 0.758 nan 8.230 nan 0.000 0.429 427 P HA -0.142 nan 4.420 nan 0.000 0.218 427 P C 1.307 178.732 177.300 0.208 0.000 1.146 427 P CA 1.835 65.118 63.100 0.305 0.000 0.813 427 P CB 0.079 31.994 31.700 0.359 0.000 0.778 428 S N -1.885 113.939 115.700 0.207 0.000 2.527 428 S HA 0.017 4.487 4.470 -0.000 0.000 0.222 428 S C 1.727 176.382 174.600 0.093 0.000 0.985 428 S CA 0.166 58.483 58.200 0.195 0.000 0.921 428 S CB -0.791 62.591 63.200 0.304 0.000 0.772 428 S HN 0.074 nan 8.310 nan 0.000 0.529 429 L N 1.079 122.288 121.223 -0.024 0.000 2.577 429 L HA 0.593 4.933 4.340 -0.000 0.000 0.225 429 L C 0.992 177.852 176.870 -0.016 0.000 1.053 429 L CA 0.410 55.144 54.840 -0.177 0.000 0.866 429 L CB -0.401 41.413 42.059 -0.409 0.000 1.132 429 L HN 0.273 nan 8.230 nan 0.000 0.486 430 A N 0.154 123.006 122.820 0.053 0.000 2.561 430 A HA 0.031 4.351 4.320 -0.000 0.000 0.234 430 A C 1.121 178.629 177.584 -0.127 0.000 1.055 430 A CA 0.468 52.536 52.037 0.052 0.000 0.756 430 A CB 0.070 19.168 19.000 0.163 0.000 0.986 430 A HN 0.413 nan 8.150 nan 0.000 0.505 431 K N 1.866 122.102 120.400 -0.273 0.000 2.323 431 K HA 0.053 4.373 4.320 -0.000 0.000 0.197 431 K C 1.476 178.003 176.600 -0.121 0.000 1.043 431 K CA 0.741 56.718 56.287 -0.516 0.000 0.997 431 K CB 0.242 32.040 32.500 -1.170 0.000 0.807 431 K HN 0.820 nan 8.250 nan 0.000 0.497 432 G N 1.226 110.113 108.800 0.146 0.000 3.086 432 G HA2 0.358 4.318 3.960 -0.000 0.000 0.159 432 G HA3 0.358 4.318 3.960 -0.000 0.000 0.159 432 G C -0.517 174.511 174.900 0.214 0.000 1.654 432 G CA -0.162 45.124 45.100 0.310 0.000 1.078 432 G HN 0.232 nan 8.290 nan 0.000 0.558 433 A N -0.450 122.504 122.820 0.224 0.000 2.546 433 A HA 0.436 4.756 4.320 -0.000 0.000 0.243 433 A C 1.126 178.823 177.584 0.188 0.000 1.063 433 A CA 0.892 53.046 52.037 0.195 0.000 0.757 433 A CB 0.151 19.268 19.000 0.195 0.000 0.991 433 A HN 1.393 nan 8.150 nan 0.000 0.503 434 S N 1.023 116.822 115.700 0.165 0.000 2.819 434 S HA 0.191 4.661 4.470 -0.000 0.000 0.249 434 S C 0.351 175.055 174.600 0.173 0.000 1.030 434 S CA 0.053 58.358 58.200 0.176 0.000 1.052 434 S CB -0.186 63.090 63.200 0.127 0.000 1.017 434 S HN 0.624 nan 8.310 nan 0.000 0.576 435 T N 3.291 117.933 114.554 0.147 0.000 2.919 435 T HA 0.560 4.910 4.350 -0.000 0.000 0.302 435 T C -0.786 173.999 174.700 0.142 0.000 1.031 435 T CA 0.054 62.218 62.100 0.108 0.000 1.127 435 T CB 0.943 69.848 68.868 0.062 0.000 0.952 435 T HN 0.417 nan 8.240 nan 0.000 0.540 436 L N 3.327 124.611 121.223 0.101 0.000 2.505 436 L HA 0.644 4.984 4.340 -0.000 0.000 0.266 436 L C -1.349 175.497 176.870 -0.039 0.000 0.954 436 L CA -0.554 54.340 54.840 0.090 0.000 0.852 436 L CB 1.861 43.964 42.059 0.074 0.000 1.282 436 L HN 0.488 nan 8.230 nan 0.000 0.403 437 R N 3.750 124.199 120.500 -0.085 0.000 2.476 437 R HA 0.810 5.150 4.340 -0.000 0.000 0.305 437 R C -1.460 174.640 176.300 -0.333 0.000 0.965 437 R CA -0.565 55.420 56.100 -0.192 0.000 0.867 437 R CB 2.328 32.529 30.300 -0.164 0.000 1.176 437 R HN 0.416 nan 8.270 nan 0.000 0.447 438 V N 3.418 123.060 119.914 -0.454 0.000 2.409 438 V HA 0.430 4.550 4.120 -0.000 0.000 0.291 438 V C -0.371 175.533 176.094 -0.317 0.000 1.020 438 V CA -0.792 61.199 62.300 -0.515 0.000 0.848 438 V CB 1.382 32.697 31.823 -0.848 0.000 0.990 438 V HN 0.786 nan 8.190 nan 0.000 0.430 439 H N 2.246 121.265 119.070 -0.086 0.000 2.679 439 H HA 0.611 5.167 4.556 -0.000 0.000 0.367 439 H C -0.722 174.619 175.328 0.021 0.000 1.162 439 H CA -0.743 55.310 56.048 0.008 0.000 1.181 439 H CB 2.651 32.460 29.762 0.080 0.000 1.693 439 H HN 0.678 nan 8.280 nan 0.000 0.538 440 E N 2.143 122.482 120.200 0.232 0.000 2.187 440 E HA 0.260 4.610 4.350 -0.000 0.000 0.268 440 E C -1.849 174.947 176.600 0.327 0.000 0.896 440 E CA -0.851 55.660 56.400 0.186 0.000 0.766 440 E CB 1.591 31.356 29.700 0.108 0.000 1.142 440 E HN 0.558 nan 8.360 nan 0.000 0.408 441 Y N 4.814 125.252 120.300 0.231 0.000 2.362 441 Y HA 0.200 4.750 4.550 -0.000 0.000 0.326 441 Y C -0.237 175.811 175.900 0.247 0.000 1.083 441 Y CA -0.655 57.623 58.100 0.296 0.000 1.073 441 Y CB 1.111 39.899 38.460 0.547 0.000 1.211 441 Y HN 0.885 nan 8.280 nan 0.000 0.433 442 N N 4.533 123.013 118.700 -0.367 0.000 2.714 442 N HA -0.243 4.497 4.740 -0.000 0.000 0.252 442 N C 0.763 176.251 175.510 -0.037 0.000 1.014 442 N CA 1.095 53.986 53.050 -0.265 0.000 0.735 442 N CB -0.899 37.369 38.487 -0.364 0.000 0.924 442 N HN 1.522 nan 8.380 nan 0.000 0.540 443 G N -0.544 108.254 108.800 -0.003 0.000 2.143 443 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.249 443 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.249 443 G C -0.249 174.667 174.900 0.028 0.000 0.981 443 G CA 0.779 45.889 45.100 0.017 0.000 0.665 443 G HN 0.760 nan 8.290 nan 0.000 0.528 444 E N -0.202 120.028 120.200 0.050 0.000 2.317 444 E HA 0.747 5.097 4.350 -0.000 0.000 0.270 444 E C 0.160 176.645 176.600 -0.191 0.000 0.885 444 E CA -1.058 55.307 56.400 -0.057 0.000 0.760 444 E CB 0.726 30.419 29.700 -0.011 0.000 1.227 444 E HN 0.038 nan 8.360 nan 0.000 0.434 445 M N 2.965 122.370 119.600 -0.325 0.000 2.423 445 M HA 0.388 4.868 4.480 -0.000 0.000 0.335 445 M C -0.709 175.187 176.300 -0.674 0.000 1.177 445 M CA -0.438 54.663 55.300 -0.331 0.000 1.038 445 M CB 1.259 33.757 32.600 -0.171 0.000 1.641 445 M HN 0.545 nan 8.290 nan 0.000 0.455 446 H N 0.852 119.748 119.070 -0.289 0.000 2.771 446 H HA 0.471 5.027 4.556 -0.000 0.000 0.361 446 H C -0.555 174.316 175.328 -0.762 0.000 1.108 446 H CA -0.492 55.207 56.048 -0.582 0.000 1.201 446 H CB 1.908 31.177 29.762 -0.821 0.000 1.681 446 H HN 0.620 nan 8.280 nan 0.000 0.534 447 T N 0.699 114.796 114.554 -0.761 0.000 2.812 447 T HA 0.653 5.003 4.350 -0.000 0.000 0.282 447 T C -0.600 173.638 174.700 -0.769 0.000 0.990 447 T CA -0.693 61.026 62.100 -0.635 0.000 0.960 447 T CB 0.442 69.114 68.868 -0.327 0.000 0.948 447 T HN 0.192 nan 8.240 nan 0.000 0.438 448 F N 1.489 121.364 119.950 -0.125 0.000 2.522 448 F HA 0.554 5.081 4.527 -0.000 0.000 0.324 448 F C 1.443 177.106 175.800 -0.229 0.000 1.077 448 F CA -1.192 56.718 58.000 -0.149 0.000 0.944 448 F CB 2.394 41.277 39.000 -0.194 0.000 1.175 448 F HN 0.722 nan 8.300 nan 0.000 0.468 449 S N -1.335 114.187 115.700 -0.298 0.000 2.523 449 S HA 0.257 4.727 4.470 -0.000 0.000 0.217 449 S C -0.510 173.993 174.600 -0.161 0.000 0.996 449 S CA 0.105 57.937 58.200 -0.613 0.000 0.921 449 S CB -0.689 61.724 63.200 -1.312 0.000 0.829 449 S HN 0.757 nan 8.310 nan 0.000 0.495 450 D N -0.522 119.865 120.400 -0.021 0.000 2.622 450 D HA 0.196 4.836 4.640 -0.000 0.000 0.255 450 D C 0.513 176.736 176.300 -0.127 0.000 1.246 450 D CA -0.808 53.201 54.000 0.015 0.000 0.795 450 D CB 0.499 41.446 40.800 0.244 0.000 1.369 450 D HN 0.005 nan 8.370 nan 0.000 0.425 451 Q N -0.446 119.169 119.800 -0.309 0.000 2.369 451 Q HA 0.009 4.349 4.340 -0.000 0.000 0.206 451 Q C 0.398 175.984 176.000 -0.690 0.000 0.963 451 Q CA 0.634 56.127 55.803 -0.516 0.000 0.894 451 Q CB -0.133 28.223 28.738 -0.637 0.000 0.965 451 Q HN 0.692 nan 8.270 nan 0.000 0.475 452 W N 1.052 122.065 121.300 -0.478 0.000 2.481 452 W HA 0.270 4.930 4.660 0.000 0.000 0.293 452 W C 2.476 178.811 176.519 -0.306 0.000 1.201 452 W CA 0.591 57.614 57.345 -0.537 0.000 1.328 452 W CB -0.448 28.284 29.460 -1.212 0.000 1.112 452 W HN 0.254 nan 8.180 nan 0.000 0.546 453 G N 0.082 108.875 108.800 -0.011 0.000 2.422 453 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 453 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 453 G C 1.348 176.186 174.900 -0.102 0.000 1.140 453 G CA 1.054 46.185 45.100 0.051 0.000 0.775 453 G HN 0.335 nan 8.290 nan 0.000 0.545 454 E N 0.312 120.357 120.200 -0.259 0.000 2.072 454 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 454 E C 2.453 178.842 176.600 -0.353 0.000 0.985 454 E CA 0.708 56.750 56.400 -0.596 0.000 0.801 454 E CB -0.140 29.256 29.700 -0.506 0.000 0.750 454 E HN 0.429 nan 8.360 nan 0.000 0.452 455 R N 0.028 120.391 120.500 -0.229 0.000 2.096 455 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 455 R C 2.399 178.657 176.300 -0.071 0.000 1.127 455 R CA 1.623 57.638 56.100 -0.141 0.000 0.968 455 R CB -0.133 30.094 30.300 -0.121 0.000 0.861 455 R HN 0.234 nan 8.270 nan 0.000 0.440 456 M N -1.032 118.545 119.600 -0.038 0.000 2.080 456 M HA -0.226 4.254 4.480 -0.000 0.000 0.260 456 M C 2.007 178.331 176.300 0.039 0.000 1.068 456 M CA 1.959 57.272 55.300 0.022 0.000 1.109 456 M CB -0.501 32.078 32.600 -0.036 0.000 1.342 456 M HN 0.330 nan 8.290 nan 0.000 0.405 457 W N 1.079 122.275 121.300 -0.173 0.000 2.379 457 W HA -0.119 4.541 4.660 -0.000 0.000 0.307 457 W C 1.822 178.257 176.519 -0.139 0.000 1.200 457 W CA 1.259 58.557 57.345 -0.078 0.000 1.297 457 W CB -0.239 29.181 29.460 -0.067 0.000 1.140 457 W HN 0.030 nan 8.180 nan 0.000 0.507 458 L N 0.496 121.681 121.223 -0.064 0.000 2.042 458 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 458 L C 2.613 179.279 176.870 -0.340 0.000 1.076 458 L CA 1.603 56.309 54.840 -0.223 0.000 0.749 458 L CB -1.203 40.806 42.059 -0.083 0.000 0.893 458 L HN 0.124 nan 8.230 nan 0.000 0.432 459 A N -0.697 121.995 122.820 -0.213 0.000 2.021 459 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 459 A C 1.004 178.477 177.584 -0.185 0.000 1.163 459 A CA 0.706 52.645 52.037 -0.163 0.000 0.676 459 A CB 0.005 18.963 19.000 -0.070 0.000 0.818 459 A HN 0.441 nan 8.150 nan 0.000 0.453 460 E N -0.921 119.156 120.200 -0.205 0.000 4.129 460 E HA 0.163 4.513 4.350 -0.000 0.000 0.222 460 E C -2.277 174.145 176.600 -0.296 0.000 1.179 460 E CA -1.579 54.719 56.400 -0.170 0.000 1.334 460 E CB 1.086 30.790 29.700 0.006 0.000 1.202 460 E HN 0.228 nan 8.360 nan 0.000 0.428 461 P HA -0.273 nan 4.420 nan 0.000 0.216 461 P C 1.382 178.474 177.300 -0.347 0.000 1.153 461 P CA 1.252 63.780 63.100 -0.954 0.000 0.858 461 P CB 0.233 31.301 31.700 -1.054 0.000 0.789 462 E N 0.231 120.294 120.200 -0.229 0.000 2.516 462 E HA -0.137 4.213 4.350 -0.000 0.000 0.199 462 E C 1.535 178.049 176.600 -0.143 0.000 1.069 462 E CA 0.860 57.192 56.400 -0.114 0.000 0.876 462 E CB -0.563 29.083 29.700 -0.090 0.000 0.843 462 E HN 0.281 nan 8.360 nan 0.000 0.530 463 R N -0.596 119.755 120.500 -0.249 0.000 2.254 463 R HA 0.111 4.451 4.340 -0.000 0.000 0.195 463 R C 0.086 175.985 176.300 -0.668 0.000 0.957 463 R CA 0.390 56.194 56.100 -0.493 0.000 1.024 463 R CB 0.271 30.135 30.300 -0.726 0.000 0.952 463 R HN 0.142 nan 8.270 nan 0.000 0.484 464 Y N 0.487 120.825 120.300 0.064 0.000 2.787 464 Y HA 0.263 4.813 4.550 -0.000 0.000 0.352 464 Y C 0.004 176.050 175.900 0.244 0.000 1.027 464 Y CA -0.540 57.662 58.100 0.171 0.000 1.219 464 Y CB 0.986 39.625 38.460 0.298 0.000 1.110 464 Y HN -0.055 nan 8.280 nan 0.000 0.614 465 E N 0.278 120.623 120.200 0.243 0.000 2.693 465 E HA 0.109 4.459 4.350 -0.000 0.000 0.214 465 E C -0.250 176.447 176.600 0.162 0.000 0.990 465 E CA -0.229 56.315 56.400 0.239 0.000 1.047 465 E CB 0.534 30.337 29.700 0.170 0.000 1.039 465 E HN 0.430 nan 8.360 nan 0.000 0.475 466 C N 4.282 123.667 119.300 0.141 0.000 2.592 466 C HA -0.019 4.441 4.460 -0.000 0.000 0.408 466 C C 0.810 175.825 174.990 0.041 0.000 1.436 466 C CA -0.324 58.732 59.018 0.064 0.000 1.595 466 C CB -0.545 27.220 27.740 0.042 0.000 2.487 466 C HN 0.336 nan 8.230 nan 0.000 0.610 467 Q N 4.825 124.626 119.800 0.001 0.000 2.314 467 Q HA 0.239 4.579 4.340 -0.000 0.000 0.258 467 Q C -0.041 175.900 176.000 -0.099 0.000 0.954 467 Q CA -0.054 55.730 55.803 -0.032 0.000 0.890 467 Q CB 0.528 29.242 28.738 -0.039 0.000 1.210 467 Q HN 0.873 nan 8.270 nan 0.000 0.410 468 N N 1.124 119.753 118.700 -0.119 0.000 2.458 468 N HA 0.167 4.907 4.740 -0.000 0.000 0.271 468 N C 1.167 176.432 175.510 -0.408 0.000 1.210 468 N CA -0.570 52.352 53.050 -0.214 0.000 0.978 468 N CB 0.685 39.091 38.487 -0.136 0.000 1.206 468 N HN 0.741 nan 8.380 nan 0.000 0.536 469 I N -3.503 116.673 120.570 -0.657 0.000 2.335 469 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 469 I C 1.211 176.707 176.117 -1.034 0.000 1.129 469 I CA 1.320 61.937 61.300 -1.138 0.000 1.402 469 I CB -0.562 36.725 38.000 -1.189 0.000 1.069 469 I HN 0.355 nan 8.210 nan 0.000 0.424 470 F N 1.567 121.273 119.950 -0.406 0.000 2.206 470 F HA -0.063 4.464 4.527 0.000 0.000 0.298 470 F C 2.625 178.320 175.800 -0.175 0.000 1.090 470 F CA 1.138 58.999 58.000 -0.232 0.000 1.323 470 F CB -0.330 38.608 39.000 -0.104 0.000 1.028 470 F HN 0.038 nan 8.300 nan 0.000 0.492 471 E N -0.008 120.175 120.200 -0.028 0.000 2.072 471 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 471 E C 2.055 178.614 176.600 -0.067 0.000 0.985 471 E CA 1.157 57.539 56.400 -0.030 0.000 0.801 471 E CB -0.158 29.517 29.700 -0.042 0.000 0.750 471 E HN 0.245 nan 8.360 nan 0.000 0.452 472 Q N 0.151 119.839 119.800 -0.186 0.000 2.123 472 Q HA -0.103 4.237 4.340 -0.000 0.000 0.199 472 Q C 1.096 177.123 176.000 0.045 0.000 0.966 472 Q CA 1.496 57.223 55.803 -0.128 0.000 0.845 472 Q CB -0.098 28.492 28.738 -0.247 0.000 0.907 472 Q HN 0.493 nan 8.270 nan 0.000 0.439 473 Y N 0.230 120.399 120.300 -0.218 0.000 2.466 473 Y HA 0.198 4.747 4.550 -0.000 0.000 0.272 473 Y C 0.251 176.126 175.900 -0.041 0.000 1.169 473 Y CA -0.609 57.336 58.100 -0.257 0.000 1.285 473 Y CB 0.224 38.191 38.460 -0.822 0.000 1.078 473 Y HN 0.155 nan 8.280 nan 0.000 0.523 474 E N 1.040 121.328 120.200 0.146 0.000 2.652 474 E HA -0.010 4.340 4.350 -0.000 0.000 0.255 474 E C 1.152 177.836 176.600 0.140 0.000 0.952 474 E CA 0.996 57.492 56.400 0.160 0.000 0.947 474 E CB 0.164 29.920 29.700 0.094 0.000 0.912 474 E HN 0.621 nan 8.360 nan 0.000 0.489 475 G N 4.203 113.092 108.800 0.148 0.000 2.162 475 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 475 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 475 G C -0.005 174.953 174.900 0.096 0.000 0.976 475 G CA 0.208 45.364 45.100 0.094 0.000 0.655 475 G HN 0.469 nan 8.290 nan 0.000 0.533 476 R N 0.572 121.170 120.500 0.163 0.000 2.474 476 R HA 0.465 4.805 4.340 -0.000 0.000 0.295 476 R C 0.108 176.486 176.300 0.131 0.000 0.980 476 R CA -0.837 55.340 56.100 0.127 0.000 0.934 476 R CB 1.174 31.540 30.300 0.110 0.000 1.101 476 R HN 0.391 nan 8.270 nan 0.000 0.469 477 E N 2.773 122.990 120.200 0.029 0.000 2.338 477 E HA -0.031 4.319 4.350 -0.000 0.000 0.272 477 E C 0.875 177.449 176.600 -0.043 0.000 1.029 477 E CA -0.303 56.076 56.400 -0.035 0.000 0.872 477 E CB 1.106 30.777 29.700 -0.049 0.000 1.015 477 E HN 0.381 nan 8.360 nan 0.000 0.417 478 L N 5.119 126.261 121.223 -0.134 0.000 1.997 478 L HA -0.314 4.026 4.340 -0.000 0.000 0.216 478 L C 2.379 179.180 176.870 -0.116 0.000 1.074 478 L CA 2.947 57.705 54.840 -0.138 0.000 0.763 478 L CB -1.146 40.723 42.059 -0.318 0.000 0.890 478 L HN 0.732 nan 8.230 nan 0.000 0.434 479 S N -1.605 114.024 115.700 -0.118 0.000 2.419 479 S HA -0.236 4.234 4.470 -0.000 0.000 0.235 479 S C 1.793 176.336 174.600 -0.095 0.000 1.019 479 S CA 1.441 59.582 58.200 -0.098 0.000 0.982 479 S CB -0.736 62.422 63.200 -0.069 0.000 0.789 479 S HN 0.689 nan 8.310 nan 0.000 0.490 480 E N 0.482 120.628 120.200 -0.090 0.000 2.152 480 E HA -0.030 4.320 4.350 -0.000 0.000 0.192 480 E C 2.090 178.607 176.600 -0.139 0.000 0.983 480 E CA 1.109 57.452 56.400 -0.095 0.000 0.818 480 E CB -0.190 29.467 29.700 -0.072 0.000 0.758 480 E HN 0.468 nan 8.360 nan 0.000 0.467 481 V N 1.437 121.245 119.914 -0.177 0.000 2.307 481 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 481 V C 2.224 178.167 176.094 -0.252 0.000 1.045 481 V CA 1.370 63.489 62.300 -0.302 0.000 1.024 481 V CB -0.361 31.143 31.823 -0.532 0.000 0.651 481 V HN 0.261 nan 8.190 nan 0.000 0.449 482 I N 0.656 121.110 120.570 -0.193 0.000 2.226 482 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 482 I C 2.687 178.721 176.117 -0.138 0.000 1.100 482 I CA 1.560 62.769 61.300 -0.152 0.000 1.374 482 I CB -0.620 37.302 38.000 -0.129 0.000 1.057 482 I HN 0.297 nan 8.210 nan 0.000 0.413 483 A N 0.433 123.173 122.820 -0.134 0.000 1.873 483 A HA -0.261 4.059 4.320 -0.000 0.000 0.215 483 A C 2.335 179.788 177.584 -0.217 0.000 1.186 483 A CA 1.862 53.820 52.037 -0.132 0.000 0.616 483 A CB -0.701 18.239 19.000 -0.100 0.000 0.823 483 A HN 0.491 nan 8.150 nan 0.000 0.442 484 E N -0.083 119.986 120.200 -0.219 0.000 2.085 484 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 484 E C 1.077 177.430 176.600 -0.412 0.000 0.994 484 E CA 1.130 57.368 56.400 -0.269 0.000 0.801 484 E CB -0.189 29.398 29.700 -0.188 0.000 0.743 484 E HN 0.600 nan 8.360 nan 0.000 0.453 485 L N 0.695 121.737 121.223 -0.301 0.000 2.688 485 L HA 0.147 4.487 4.340 -0.000 0.000 0.234 485 L C -0.470 176.328 176.870 -0.120 0.000 1.192 485 L CA -0.041 54.673 54.840 -0.211 0.000 0.984 485 L CB -0.647 41.352 42.059 -0.098 0.000 1.232 485 L HN 0.276 nan 8.230 nan 0.000 0.465 486 H N -1.380 117.660 119.070 -0.050 0.000 2.692 486 H HA -0.173 4.383 4.556 0.000 0.000 0.316 486 H C 1.392 176.696 175.328 -0.039 0.000 1.176 486 H CA 0.485 56.508 56.048 -0.041 0.000 1.142 486 H CB -1.634 28.105 29.762 -0.038 0.000 1.475 486 H HN 0.495 nan 8.280 nan 0.000 0.423 487 G N 0.272 109.078 108.800 0.010 0.000 3.379 487 G HA2 0.374 4.334 3.960 -0.000 0.000 0.253 487 G HA3 0.374 4.334 3.960 -0.000 0.000 0.253 487 G C 0.266 175.174 174.900 0.013 0.000 1.262 487 G CA -0.234 44.868 45.100 0.004 0.000 0.959 487 G HN 0.316 nan 8.290 nan 0.000 0.524 488 L N -0.684 120.559 121.223 0.033 0.000 2.322 488 L HA 0.588 4.928 4.340 -0.000 0.000 0.269 488 L C 0.621 177.515 176.870 0.039 0.000 1.012 488 L CA -1.266 53.594 54.840 0.033 0.000 0.815 488 L CB 1.718 43.794 42.059 0.030 0.000 1.295 488 L HN -0.013 nan 8.230 nan 0.000 0.438 489 R N -0.303 120.220 120.500 0.037 0.000 2.580 489 R HA 0.121 4.461 4.340 -0.000 0.000 0.267 489 R C 1.370 177.688 176.300 0.029 0.000 1.125 489 R CA 0.214 56.335 56.100 0.034 0.000 1.188 489 R CB 0.639 30.960 30.300 0.035 0.000 1.155 489 R HN 0.811 nan 8.270 nan 0.000 0.586 490 S N 0.206 115.920 115.700 0.024 0.000 2.440 490 S HA -0.188 4.282 4.470 -0.000 0.000 0.240 490 S C 1.200 175.811 174.600 0.018 0.000 1.014 490 S CA 1.670 59.880 58.200 0.017 0.000 0.980 490 S CB -0.395 62.812 63.200 0.011 0.000 0.775 490 S HN 0.788 nan 8.310 nan 0.000 0.499 491 D N 1.026 121.439 120.400 0.021 0.000 2.363 491 D HA 0.146 4.786 4.640 -0.000 0.000 0.226 491 D C 1.452 177.765 176.300 0.021 0.000 1.020 491 D CA 0.655 54.667 54.000 0.020 0.000 0.892 491 D CB -1.157 39.656 40.800 0.022 0.000 0.900 491 D HN 0.615 nan 8.370 nan 0.000 0.531 492 G N -0.438 108.376 108.800 0.024 0.000 2.168 492 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.257 492 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.257 492 G C 0.939 175.852 174.900 0.022 0.000 0.997 492 G CA 1.262 46.377 45.100 0.024 0.000 0.708 492 G HN 0.902 nan 8.290 nan 0.000 0.520 493 K N -2.110 118.305 120.400 0.026 0.000 2.770 493 K HA 0.555 4.875 4.320 -0.000 0.000 0.195 493 K C 0.909 177.536 176.600 0.044 0.000 1.515 493 K CA 1.399 57.703 56.287 0.028 0.000 1.199 493 K CB 0.036 32.550 32.500 0.024 0.000 1.681 493 K HN 0.747 nan 8.250 nan 0.000 0.586 494 T N 2.966 117.549 114.554 0.049 0.000 2.851 494 T HA 0.501 4.851 4.350 -0.000 0.000 0.298 494 T C 0.381 175.123 174.700 0.070 0.000 0.977 494 T CA -0.376 61.766 62.100 0.070 0.000 1.126 494 T CB 0.375 69.281 68.868 0.063 0.000 0.916 494 T HN 0.295 nan 8.240 nan 0.000 0.529 495 L N 3.649 124.932 121.223 0.100 0.000 2.461 495 L HA 0.221 4.561 4.340 -0.000 0.000 0.272 495 L C 1.816 178.718 176.870 0.054 0.000 1.197 495 L CA -0.369 54.520 54.840 0.081 0.000 0.836 495 L CB 0.196 42.336 42.059 0.135 0.000 1.105 495 L HN 0.685 nan 8.230 nan 0.000 0.477 496 I N 1.341 121.927 120.570 0.026 0.000 2.233 496 I HA -0.109 4.061 4.170 -0.000 0.000 0.243 496 I C 1.476 177.575 176.117 -0.030 0.000 1.093 496 I CA 0.644 61.950 61.300 0.010 0.000 1.380 496 I CB -0.075 37.939 38.000 0.023 0.000 1.067 496 I HN 0.724 nan 8.210 nan 0.000 0.413 497 A N 1.141 123.931 122.820 -0.050 0.000 2.407 497 A HA 0.371 4.691 4.320 -0.000 0.000 0.248 497 A C -0.226 177.348 177.584 -0.017 0.000 1.082 497 A CA 0.107 52.089 52.037 -0.092 0.000 0.785 497 A CB 0.456 19.386 19.000 -0.117 0.000 1.020 497 A HN 0.304 nan 8.150 nan 0.000 0.489 498 Q N 0.796 120.453 119.800 -0.239 0.000 2.418 498 Q HA 0.359 4.699 4.340 -0.000 0.000 0.282 498 Q C -2.500 172.848 176.000 -1.087 0.000 1.044 498 Q CA -1.516 53.876 55.803 -0.685 0.000 0.813 498 Q CB 2.245 30.662 28.738 -0.536 0.000 1.428 498 Q HN 0.537 nan 8.270 nan 0.000 0.402 499 P HA 0.012 nan 4.420 nan 0.000 0.255 499 P C -0.505 176.588 177.300 -0.344 0.000 1.248 499 P CA 0.747 62.984 63.100 -1.439 0.000 0.807 499 P CB 0.365 30.901 31.700 -1.941 0.000 1.150 500 H N -3.166 115.764 119.070 -0.235 0.000 3.017 500 H HA 0.425 4.981 4.556 -0.000 0.000 0.346 500 H C -0.034 175.289 175.328 -0.008 0.000 1.286 500 H CA -1.029 55.008 56.048 -0.018 0.000 1.120 500 H CB 0.676 30.459 29.762 0.035 0.000 1.860 500 H HN -0.261 nan 8.280 nan 0.000 0.542 501 V N -1.268 118.782 119.914 0.228 0.000 3.271 501 V HA 0.456 4.576 4.120 -0.000 0.000 0.327 501 V C 0.568 176.790 176.094 0.213 0.000 1.389 501 V CA -0.483 61.910 62.300 0.156 0.000 1.156 501 V CB -1.044 30.858 31.823 0.131 0.000 1.103 501 V HN 0.550 nan 8.190 nan 0.000 0.453 502 R N 0.367 121.115 120.500 0.414 0.000 2.577 502 R HA 0.524 4.864 4.340 -0.000 0.000 0.269 502 R C 1.554 177.985 176.300 0.218 0.000 1.084 502 R CA 0.214 56.442 56.100 0.213 0.000 1.163 502 R CB 0.926 31.249 30.300 0.038 0.000 1.100 502 R HN 0.343 nan 8.270 nan 0.000 0.547 503 G N 0.399 109.268 108.800 0.115 0.000 2.813 503 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.209 503 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.209 503 G C -0.021 174.942 174.900 0.105 0.000 1.150 503 G CA 0.191 45.350 45.100 0.099 0.000 0.785 503 G HN 0.739 nan 8.290 nan 0.000 0.535 504 D N -1.437 119.027 120.400 0.107 0.000 2.423 504 D HA 0.294 4.934 4.640 -0.000 0.000 0.235 504 D C -0.294 176.078 176.300 0.120 0.000 1.011 504 D CA -0.921 53.127 54.000 0.080 0.000 0.963 504 D CB 1.009 41.823 40.800 0.023 0.000 1.349 504 D HN -0.018 nan 8.370 nan 0.000 0.508 505 K N 0.123 120.578 120.400 0.091 0.000 3.162 505 K HA -0.145 4.175 4.320 -0.000 0.000 0.268 505 K C -0.438 176.335 176.600 0.289 0.000 1.062 505 K CA 0.186 56.536 56.287 0.105 0.000 0.769 505 K CB -1.528 30.985 32.500 0.021 0.000 1.274 505 K HN 0.453 nan 8.250 nan 0.000 0.478 506 L N 0.620 121.977 121.223 0.224 0.000 2.349 506 L HA 0.248 4.588 4.340 -0.000 0.000 0.275 506 L C 0.821 177.834 176.870 0.239 0.000 1.115 506 L CA -0.577 54.403 54.840 0.233 0.000 0.820 506 L CB 0.206 42.344 42.059 0.133 0.000 1.135 506 L HN 0.029 nan 8.230 nan 0.000 0.445 507 W N 2.072 123.389 121.300 0.029 0.000 2.190 507 W HA 0.291 4.951 4.660 -0.000 0.000 0.330 507 W C 0.882 177.446 176.519 0.076 0.000 1.299 507 W CA -0.337 57.062 57.345 0.089 0.000 1.215 507 W CB 0.477 30.060 29.460 0.204 0.000 1.147 507 W HN 0.472 nan 8.180 nan 0.000 0.563 508 T N -0.208 114.499 114.554 0.255 0.000 2.938 508 T HA 0.322 4.672 4.350 -0.000 0.000 0.285 508 T C 0.509 175.297 174.700 0.147 0.000 1.028 508 T CA -0.871 61.321 62.100 0.153 0.000 1.005 508 T CB 1.201 70.115 68.868 0.076 0.000 1.157 508 T HN 0.309 nan 8.240 nan 0.000 0.550 509 L N 0.729 122.000 121.223 0.081 0.000 2.083 509 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 509 L C 2.264 179.157 176.870 0.038 0.000 1.083 509 L CA 2.008 56.874 54.840 0.044 0.000 0.752 509 L CB -0.941 41.125 42.059 0.012 0.000 0.899 509 L HN 0.942 nan 8.230 nan 0.000 0.433 510 D N -0.985 119.436 120.400 0.035 0.000 2.178 510 D HA -0.210 4.430 4.640 -0.000 0.000 0.202 510 D C 1.288 177.605 176.300 0.029 0.000 0.974 510 D CA 1.243 55.255 54.000 0.019 0.000 0.841 510 D CB 0.134 40.938 40.800 0.007 0.000 0.953 510 D HN 0.439 nan 8.370 nan 0.000 0.478 511 D N 0.477 120.913 120.400 0.060 0.000 2.144 511 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 511 D C 2.196 178.588 176.300 0.154 0.000 0.978 511 D CA 0.325 54.365 54.000 0.067 0.000 0.833 511 D CB 0.060 40.886 40.800 0.043 0.000 0.961 511 D HN 0.330 nan 8.370 nan 0.000 0.470 512 I N 1.110 121.780 120.570 0.167 0.000 2.286 512 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 512 I C 2.358 178.474 176.117 -0.002 0.000 1.104 512 I CA 0.809 62.155 61.300 0.077 0.000 1.397 512 I CB -0.777 37.210 38.000 -0.021 0.000 1.072 512 I HN -0.016 nan 8.210 nan 0.000 0.417 513 K N 0.903 121.299 120.400 -0.007 0.000 2.020 513 K HA -0.254 4.066 4.320 -0.000 0.000 0.212 513 K C 2.206 178.798 176.600 -0.013 0.000 1.050 513 K CA 1.672 57.946 56.287 -0.021 0.000 0.929 513 K CB -0.042 32.445 32.500 -0.020 0.000 0.714 513 K HN -0.059 nan 8.250 nan 0.000 0.443 514 R N 0.582 121.081 120.500 -0.001 0.000 2.227 514 R HA -0.219 4.121 4.340 -0.000 0.000 0.259 514 R C 2.108 178.409 176.300 0.001 0.000 1.139 514 R CA 2.224 58.324 56.100 0.001 0.000 0.969 514 R CB -0.695 29.609 30.300 0.007 0.000 0.903 514 R HN 0.293 nan 8.270 nan 0.000 0.452 515 L N -1.002 120.225 121.223 0.006 0.000 2.093 515 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 515 L C 1.054 177.899 176.870 -0.042 0.000 1.085 515 L CA 1.093 55.931 54.840 -0.004 0.000 0.755 515 L CB -0.552 41.505 42.059 -0.004 0.000 0.904 515 L HN 0.536 nan 8.230 nan 0.000 0.435 516 N N -0.457 118.206 118.700 -0.061 0.000 2.783 516 N HA -0.212 4.528 4.740 -0.000 0.000 0.247 516 N C -0.128 175.314 175.510 -0.112 0.000 1.089 516 N CA 0.027 53.032 53.050 -0.075 0.000 0.690 516 N CB -0.769 37.688 38.487 -0.051 0.000 0.991 516 N HN 0.410 nan 8.380 nan 0.000 0.552 517 C N 1.650 120.848 119.300 -0.169 0.000 2.394 517 C HA 0.615 5.075 4.460 -0.000 0.000 0.362 517 C C 0.491 175.308 174.990 -0.288 0.000 1.268 517 C CA -0.289 58.576 59.018 -0.255 0.000 1.828 517 C CB 0.205 27.732 27.740 -0.355 0.000 2.442 517 C HN 0.201 nan 8.230 nan 0.000 0.549 518 V N 7.563 127.330 119.914 -0.245 0.000 2.487 518 V HA 0.411 4.531 4.120 -0.000 0.000 0.298 518 V C -0.130 175.872 176.094 -0.154 0.000 1.028 518 V CA -0.339 61.863 62.300 -0.162 0.000 0.860 518 V CB 1.232 33.016 31.823 -0.065 0.000 0.991 518 V HN 0.816 nan 8.190 nan 0.000 0.427 519 F N 4.069 124.022 119.950 0.006 0.000 2.506 519 F HA 0.429 4.956 4.527 -0.000 0.000 0.351 519 F C 0.743 176.561 175.800 0.029 0.000 1.136 519 F CA 0.163 58.200 58.000 0.062 0.000 1.298 519 F CB 0.695 39.805 39.000 0.184 0.000 1.145 519 F HN 0.497 nan 8.300 nan 0.000 0.593 520 K N 1.035 121.552 120.400 0.194 0.000 2.502 520 K HA 0.387 4.707 4.320 -0.000 0.000 0.257 520 K C -1.413 175.180 176.600 -0.012 0.000 0.938 520 K CA -1.191 55.130 56.287 0.058 0.000 0.819 520 K CB 1.496 33.974 32.500 -0.036 0.000 1.333 520 K HN 0.349 nan 8.250 nan 0.000 0.434 521 N N 3.199 121.899 118.700 -0.001 0.000 2.401 521 N HA 0.122 4.862 4.740 -0.000 0.000 0.255 521 N C -1.564 173.887 175.510 -0.099 0.000 1.110 521 N CA -2.189 50.849 53.050 -0.021 0.000 0.949 521 N CB 0.863 39.373 38.487 0.039 0.000 1.110 521 N HN 0.509 nan 8.380 nan 0.000 0.490 522 P HA -0.147 nan 4.420 nan 0.000 0.221 522 P C 1.246 178.607 177.300 0.102 0.000 1.145 522 P CA 0.598 63.570 63.100 -0.214 0.000 0.795 522 P CB 0.557 31.918 31.700 -0.565 0.000 0.775 523 V N 0.146 120.175 119.914 0.191 0.000 2.871 523 V HA -0.088 4.032 4.120 -0.000 0.000 0.256 523 V C 2.128 178.391 176.094 0.283 0.000 1.082 523 V CA 1.419 63.922 62.300 0.338 0.000 1.105 523 V CB -0.956 30.949 31.823 0.137 0.000 0.713 523 V HN -0.031 nan 8.190 nan 0.000 0.473 524 K N 0.588 121.059 120.400 0.119 0.000 2.360 524 K HA 0.029 4.349 4.320 -0.000 0.000 0.201 524 K C 2.057 178.682 176.600 0.042 0.000 1.046 524 K CA 1.186 57.514 56.287 0.069 0.000 0.945 524 K CB -0.670 31.843 32.500 0.021 0.000 0.750 524 K HN 0.555 nan 8.250 nan 0.000 0.464 525 A N 0.778 123.596 122.820 -0.004 0.000 1.969 525 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 525 A C 0.685 178.151 177.584 -0.196 0.000 1.169 525 A CA 0.441 52.387 52.037 -0.152 0.000 0.635 525 A CB -0.412 18.415 19.000 -0.287 0.000 0.810 525 A HN 0.128 nan 8.150 nan 0.000 0.445 526 F N 1.039 120.988 119.950 -0.001 0.000 2.484 526 F HA 0.256 4.783 4.527 -0.000 0.000 0.360 526 F C 0.730 176.528 175.800 -0.003 0.000 1.101 526 F CA -0.207 57.791 58.000 -0.002 0.000 1.251 526 F CB 0.329 39.325 39.000 -0.007 0.000 1.132 526 F HN 0.133 nan 8.300 nan 0.000 0.570 527 N N 0.000 118.794 118.700 0.157 0.000 1.763 527 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 527 N CA 0.000 53.106 53.050 0.094 0.000 0.885 527 N CB 0.000 38.515 38.487 0.047 0.000 1.341 527 N HN 0.000 nan 8.380 nan 0.000 0.667