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 2zx5_1_A DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP TGELGKVPMD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE YHVNYPGDLP GYKWEFTRGI GLSFGYNRNE GPEHMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QKERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA V 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.156 176.300 -0.240 0.000 0.893 7 R CA 0.000 55.999 56.100 -0.169 0.000 0.921 7 R CB 0.000 30.280 30.300 -0.033 0.000 0.687 8 Y N 1.457 121.751 120.300 -0.010 0.000 2.301 8 Y HA 0.415 4.968 4.550 0.005 0.000 0.325 8 Y C 0.560 176.432 175.900 -0.046 0.000 1.203 8 Y CA -0.197 57.891 58.100 -0.020 0.000 1.255 8 Y CB 0.986 39.461 38.460 0.024 0.000 1.232 8 Y HN 0.102 nan 8.280 nan 0.000 0.501 9 K N 3.084 123.528 120.400 0.073 0.000 2.211 9 K HA 0.381 4.704 4.320 0.005 0.000 0.237 9 K C -2.651 173.866 176.600 -0.139 0.000 1.002 9 K CA -2.062 54.204 56.287 -0.036 0.000 0.885 9 K CB 1.056 33.517 32.500 -0.065 0.000 1.136 9 K HN 0.297 nan 8.250 nan 0.000 0.448 10 P HA 0.087 nan 4.420 nan 0.000 0.231 10 P C -1.691 175.218 177.300 -0.653 0.000 1.811 10 P CA 0.011 62.771 63.100 -0.567 0.000 1.051 10 P CB -0.670 30.531 31.700 -0.832 0.000 1.951 11 D N -1.246 118.813 120.400 -0.568 0.000 2.745 11 D HA 0.086 4.729 4.640 0.005 0.000 0.221 11 D C 0.314 176.353 176.300 -0.435 0.000 1.237 11 D CA -0.840 52.789 54.000 -0.619 0.000 0.781 11 D CB -0.138 40.457 40.800 -0.341 0.000 1.575 11 D HN -0.048 nan 8.370 nan 0.000 0.482 12 W N 0.754 122.001 121.300 -0.089 0.000 2.290 12 W HA -0.189 4.473 4.660 0.004 0.000 0.311 12 W C 2.161 178.657 176.519 -0.038 0.000 1.238 12 W CA 1.293 58.608 57.345 -0.050 0.000 1.255 12 W CB -0.147 29.301 29.460 -0.021 0.000 1.145 12 W HN 0.687 nan 8.180 nan 0.000 0.506 13 E N 0.340 120.632 120.200 0.152 0.000 2.051 13 E HA -0.258 4.095 4.350 0.005 0.000 0.192 13 E C 2.360 178.989 176.600 0.049 0.000 0.991 13 E CA 1.915 58.366 56.400 0.085 0.000 0.799 13 E CB -0.407 29.321 29.700 0.047 0.000 0.748 13 E HN 0.089 nan 8.360 nan 0.000 0.449 14 S N -0.346 115.361 115.700 0.012 0.000 2.387 14 S HA -0.054 4.419 4.470 0.005 0.000 0.226 14 S C 1.978 176.635 174.600 0.095 0.000 1.026 14 S CA 0.702 58.921 58.200 0.031 0.000 0.972 14 S CB -0.262 62.941 63.200 0.005 0.000 0.814 14 S HN 0.338 nan 8.310 nan 0.000 0.477 15 L N 1.196 122.429 121.223 0.016 0.000 2.191 15 L HA -0.023 4.320 4.340 0.005 0.000 0.212 15 L C 2.717 179.488 176.870 -0.165 0.000 1.103 15 L CA 1.182 55.943 54.840 -0.132 0.000 0.769 15 L CB -0.485 41.411 42.059 -0.272 0.000 0.908 15 L HN 0.290 nan 8.230 nan 0.000 0.438 16 R N 1.091 121.609 120.500 0.031 0.000 2.139 16 R HA -0.215 4.128 4.340 0.005 0.000 0.243 16 R C 1.897 178.240 176.300 0.071 0.000 1.145 16 R CA 1.551 57.707 56.100 0.092 0.000 0.976 16 R CB -0.358 29.985 30.300 0.070 0.000 0.866 16 R HN 0.411 nan 8.270 nan 0.000 0.449 17 E N -0.554 119.703 120.200 0.095 0.000 2.209 17 E HA -0.187 4.166 4.350 0.005 0.000 0.196 17 E C 0.099 176.780 176.600 0.135 0.000 0.993 17 E CA 0.640 57.107 56.400 0.111 0.000 0.819 17 E CB -0.268 29.503 29.700 0.119 0.000 0.745 17 E HN 0.442 nan 8.360 nan 0.000 0.477 18 H N 1.264 120.341 119.070 0.012 0.000 2.819 18 H HA 0.074 4.633 4.556 0.005 0.000 0.303 18 H C -0.333 174.890 175.328 -0.175 0.000 1.058 18 H CA 0.506 56.406 56.048 -0.246 0.000 1.471 18 H CB 0.482 29.639 29.762 -1.010 0.000 1.480 18 H HN -0.002 nan 8.280 nan 0.000 0.517 19 T N 0.898 115.115 114.554 -0.563 0.000 2.910 19 T HA 0.192 4.545 4.350 0.005 0.000 0.287 19 T C 0.101 174.556 174.700 -0.408 0.000 1.050 19 T CA -0.972 60.936 62.100 -0.320 0.000 1.011 19 T CB 1.445 70.210 68.868 -0.172 0.000 1.195 19 T HN 0.371 nan 8.240 nan 0.000 0.540 20 V N 3.993 123.806 119.914 -0.167 0.000 2.583 20 V HA 0.173 4.296 4.120 0.005 0.000 0.302 20 V C -1.854 174.113 176.094 -0.211 0.000 1.033 20 V CA -1.072 61.144 62.300 -0.139 0.000 1.194 20 V CB -0.225 31.592 31.823 -0.010 0.000 0.879 20 V HN 0.802 nan 8.190 nan 0.000 0.482 21 P HA 0.060 nan 4.420 nan 0.000 0.268 21 P C 0.431 177.582 177.300 -0.248 0.000 1.205 21 P CA -0.123 62.832 63.100 -0.241 0.000 0.771 21 P CB 0.669 32.268 31.700 -0.169 0.000 0.858 22 K N 2.785 123.137 120.400 -0.079 0.000 2.113 22 K HA -0.148 4.175 4.320 0.005 0.000 0.208 22 K C 1.920 178.533 176.600 0.021 0.000 1.047 22 K CA 1.772 58.055 56.287 -0.007 0.000 0.928 22 K CB -0.309 32.226 32.500 0.058 0.000 0.716 22 K HN 0.667 nan 8.250 nan 0.000 0.446 23 W N 0.028 121.381 121.300 0.088 0.000 2.358 23 W HA -0.228 4.435 4.660 0.005 0.000 0.303 23 W C 1.564 178.137 176.519 0.090 0.000 1.208 23 W CA 0.350 57.748 57.345 0.089 0.000 1.274 23 W CB -1.078 28.440 29.460 0.096 0.000 1.138 23 W HN 0.007 nan 8.180 nan 0.000 0.515 24 F N 3.003 122.075 119.950 -1.462 0.000 2.084 24 F HA -0.203 4.327 4.527 0.005 0.000 0.296 24 F C 2.377 177.826 175.800 -0.586 0.000 1.111 24 F CA 2.649 59.734 58.000 -1.526 0.000 1.224 24 F CB -0.857 37.120 39.000 -1.705 0.000 0.991 24 F HN -0.142 nan 8.300 nan 0.000 0.471 25 D N 0.043 120.336 120.400 -0.179 0.000 2.182 25 D HA -0.199 4.444 4.640 0.005 0.000 0.201 25 D C 1.903 178.150 176.300 -0.088 0.000 0.986 25 D CA 1.485 55.427 54.000 -0.097 0.000 0.847 25 D CB -0.169 40.626 40.800 -0.008 0.000 0.942 25 D HN 0.301 nan 8.370 nan 0.000 0.467 26 K N -0.644 119.742 120.400 -0.024 0.000 2.314 26 K HA 0.196 4.519 4.320 0.005 0.000 0.198 26 K C 1.991 178.674 176.600 0.138 0.000 1.045 26 K CA 0.527 56.859 56.287 0.074 0.000 0.988 26 K CB 0.217 32.796 32.500 0.131 0.000 0.783 26 K HN 0.106 nan 8.250 nan 0.000 0.484 27 A N 1.718 124.598 122.820 0.100 0.000 1.930 27 A HA -0.197 4.126 4.320 0.005 0.000 0.217 27 A C 0.917 178.671 177.584 0.285 0.000 1.175 27 A CA 1.546 53.737 52.037 0.256 0.000 0.627 27 A CB -0.033 19.164 19.000 0.328 0.000 0.815 27 A HN 0.183 nan 8.150 nan 0.000 0.443 28 K N -3.737 116.699 120.400 0.061 0.000 3.517 28 K HA -0.247 4.076 4.320 0.005 0.000 0.320 28 K C 0.072 176.747 176.600 0.124 0.000 0.769 28 K CA 2.123 58.424 56.287 0.023 0.000 1.397 28 K CB -1.912 30.588 32.500 -0.000 0.000 1.376 28 K HN 0.783 nan 8.250 nan 0.000 0.456 29 F N -0.361 119.607 119.950 0.030 0.000 2.588 29 F HA 0.545 5.075 4.527 0.005 0.000 0.314 29 F C -0.034 175.620 175.800 -0.244 0.000 1.134 29 F CA -0.136 57.822 58.000 -0.070 0.000 0.961 29 F CB 2.139 41.129 39.000 -0.017 0.000 1.239 29 F HN 0.048 nan 8.300 nan 0.000 0.448 30 G N 5.518 113.775 108.800 -0.906 0.000 2.680 30 G HA2 0.638 4.601 3.960 0.005 0.000 0.290 30 G HA3 0.638 4.601 3.960 0.005 0.000 0.290 30 G C -2.021 172.240 174.900 -1.065 0.000 1.355 30 G CA -0.837 43.315 45.100 -1.579 0.000 0.903 30 G HN 0.496 nan 8.290 nan 0.000 0.474 31 I N 1.015 121.047 120.570 -0.897 0.000 2.378 31 I HA 0.375 4.548 4.170 0.005 0.000 0.291 31 I C -0.983 174.910 176.117 -0.372 0.000 0.992 31 I CA -0.753 60.163 61.300 -0.640 0.000 1.154 31 I CB 1.470 38.898 38.000 -0.952 0.000 1.315 31 I HN 0.217 nan 8.210 nan 0.000 0.448 32 F N 7.091 126.838 119.950 -0.339 0.000 2.385 32 F HA 0.553 5.083 4.527 0.005 0.000 0.336 32 F C 0.093 175.807 175.800 -0.144 0.000 1.100 32 F CA -1.357 56.523 58.000 -0.200 0.000 1.116 32 F CB 1.100 40.053 39.000 -0.078 0.000 1.166 32 F HN 0.197 nan 8.300 nan 0.000 0.511 33 I N 5.042 125.665 120.570 0.087 0.000 2.468 33 I HA 0.136 4.309 4.170 0.005 0.000 0.285 33 I C -1.296 174.775 176.117 -0.076 0.000 1.039 33 I CA -0.636 60.666 61.300 0.002 0.000 1.074 33 I CB 1.576 39.626 38.000 0.082 0.000 1.228 33 I HN 0.403 nan 8.210 nan 0.000 0.436 34 H N 5.148 124.122 119.070 -0.159 0.000 2.685 34 H HA 0.304 4.864 4.556 0.005 0.000 0.286 34 H C -1.394 174.071 175.328 0.228 0.000 1.102 34 H CA -0.199 55.777 56.048 -0.120 0.000 1.254 34 H CB 0.637 30.232 29.762 -0.278 0.000 1.397 34 H HN 0.491 nan 8.280 nan 0.000 0.473 35 W N 3.820 125.138 121.300 0.031 0.000 2.715 35 W HA 0.605 5.270 4.660 0.008 0.000 0.331 35 W C -0.566 175.673 176.519 -0.466 0.000 1.031 35 W CA -0.806 56.480 57.345 -0.099 0.000 1.237 35 W CB 1.413 30.923 29.460 0.084 0.000 1.378 35 W HN 0.643 nan 8.180 nan 0.000 0.454 36 G N 3.982 112.030 108.800 -1.253 0.000 2.634 36 G HA2 0.263 4.226 3.960 0.005 0.000 0.309 36 G HA3 0.263 4.226 3.960 0.005 0.000 0.309 36 G C 0.228 173.881 174.900 -2.078 0.000 1.299 36 G CA -0.241 43.837 45.100 -1.703 0.000 0.798 36 G HN 0.857 nan 8.290 nan 0.000 0.490 37 I N -1.025 118.568 120.570 -1.628 0.000 3.001 37 I HA 0.028 4.201 4.170 0.005 0.000 0.268 37 I C 1.890 177.498 176.117 -0.848 0.000 1.267 37 I CA 0.999 61.517 61.300 -1.302 0.000 1.472 37 I CB -0.408 36.980 38.000 -1.021 0.000 1.089 37 I HN 0.518 nan 8.210 nan 0.000 0.468 38 Y N 0.499 120.550 120.300 -0.414 0.000 2.509 38 Y HA 0.198 4.751 4.550 0.005 0.000 0.293 38 Y C 2.314 178.034 175.900 -0.300 0.000 1.133 38 Y CA 0.357 58.309 58.100 -0.248 0.000 1.283 38 Y CB -1.355 37.134 38.460 0.049 0.000 1.001 38 Y HN 0.055 nan 8.280 nan 0.000 0.555 39 S N 0.199 115.696 115.700 -0.339 0.000 2.428 39 S HA -0.101 4.372 4.470 0.005 0.000 0.230 39 S C 2.053 176.634 174.600 -0.031 0.000 1.014 39 S CA 1.052 59.238 58.200 -0.023 0.000 0.957 39 S CB -0.487 62.713 63.200 -0.001 0.000 0.784 39 S HN 0.373 nan 8.310 nan 0.000 0.499 40 V N 3.208 122.934 119.914 -0.313 0.000 2.244 40 V HA -0.096 4.027 4.120 0.005 0.000 0.244 40 V C -0.272 175.630 176.094 -0.320 0.000 1.042 40 V CA 1.639 63.778 62.300 -0.268 0.000 1.006 40 V CB -1.641 29.950 31.823 -0.387 0.000 0.641 40 V HN 0.372 nan 8.190 nan 0.000 0.446 41 P HA -0.087 nan 4.420 nan 0.000 0.217 41 P C 1.192 178.488 177.300 -0.006 0.000 1.150 41 P CA 1.715 64.526 63.100 -0.482 0.000 0.832 41 P CB -0.325 30.643 31.700 -1.220 0.000 0.787 42 G N 0.202 108.978 108.800 -0.040 0.000 2.395 42 G HA2 -0.203 3.760 3.960 0.005 0.000 0.292 42 G HA3 -0.203 3.760 3.960 0.005 0.000 0.292 42 G C -0.733 174.144 174.900 -0.039 0.000 0.953 42 G CA 0.252 45.365 45.100 0.023 0.000 1.207 42 G HN 0.446 nan 8.290 nan 0.000 0.503 43 W N 0.103 121.337 121.300 -0.109 0.000 3.274 43 W HA 0.684 5.347 4.660 0.005 0.000 0.327 43 W C -0.427 176.040 176.519 -0.085 0.000 1.172 43 W CA 0.007 57.248 57.345 -0.173 0.000 1.217 43 W CB 1.658 30.940 29.460 -0.297 0.000 1.376 43 W HN 0.970 nan 8.180 nan 0.000 0.507 44 A N 1.997 124.145 122.820 -1.120 0.000 2.599 44 A HA 0.572 4.895 4.320 0.005 0.000 0.294 44 A C -0.565 176.276 177.584 -1.237 0.000 1.055 44 A CA -0.541 50.913 52.037 -0.972 0.000 0.683 44 A CB 0.848 19.617 19.000 -0.385 0.000 1.278 44 A HN 0.749 nan 8.150 nan 0.000 0.412 45 T N 1.074 115.106 114.554 -0.869 0.000 2.738 45 T HA 0.491 4.844 4.350 0.005 0.000 0.293 45 T C -2.082 172.317 174.700 -0.501 0.000 0.913 45 T CA -1.241 60.498 62.100 -0.601 0.000 1.103 45 T CB 0.471 69.143 68.868 -0.328 0.000 0.880 45 T HN 0.377 nan 8.240 nan 0.000 0.526 46 P HA 0.121 nan 4.420 nan 0.000 0.225 46 P C 0.922 178.044 177.300 -0.296 0.000 1.768 46 P CA -0.322 62.492 63.100 -0.477 0.000 0.943 46 P CB -0.366 30.847 31.700 -0.812 0.000 1.936 47 T N -0.704 113.681 114.554 -0.281 0.000 2.685 47 T HA 0.001 4.354 4.350 0.005 0.000 0.268 47 T C 1.170 175.803 174.700 -0.112 0.000 1.034 47 T CA 1.847 63.832 62.100 -0.192 0.000 1.149 47 T CB -0.336 68.385 68.868 -0.244 0.000 0.860 47 T HN 0.550 nan 8.240 nan 0.000 0.449 48 G N -0.302 108.427 108.800 -0.118 0.000 2.341 48 G HA2 0.328 4.291 3.960 0.005 0.000 0.293 48 G HA3 0.328 4.291 3.960 0.005 0.000 0.293 48 G C -2.060 172.826 174.900 -0.023 0.000 1.298 48 G CA -1.052 44.029 45.100 -0.031 0.000 0.868 48 G HN 0.201 nan 8.290 nan 0.000 0.540 49 E N -0.439 119.784 120.200 0.037 0.000 2.331 49 E HA 0.420 4.773 4.350 0.005 0.000 0.272 49 E C 0.103 176.744 176.600 0.068 0.000 1.036 49 E CA -0.609 55.794 56.400 0.005 0.000 0.864 49 E CB 2.027 31.889 29.700 0.270 0.000 1.035 49 E HN 0.515 nan 8.360 nan 0.000 0.408 50 L N 2.465 123.627 121.223 -0.102 0.000 2.499 50 L HA 0.201 4.544 4.340 0.005 0.000 0.273 50 L C 1.072 177.984 176.870 0.070 0.000 1.195 50 L CA 1.683 56.399 54.840 -0.207 0.000 0.882 50 L CB 0.045 41.943 42.059 -0.270 0.000 1.133 50 L HN 0.784 nan 8.230 nan 0.000 0.483 51 G N 3.034 111.789 108.800 -0.075 0.000 2.213 51 G HA2 -0.219 3.744 3.960 0.005 0.000 0.226 51 G HA3 -0.219 3.744 3.960 0.005 0.000 0.226 51 G C 0.998 175.849 174.900 -0.081 0.000 0.992 51 G CA 0.254 45.363 45.100 0.015 0.000 0.632 51 G HN 0.559 nan 8.290 nan 0.000 0.511 52 K N -0.293 120.071 120.400 -0.061 0.000 2.436 52 K HA 0.396 4.719 4.320 0.005 0.000 0.198 52 K C 0.857 177.436 176.600 -0.035 0.000 1.174 52 K CA 0.391 56.614 56.287 -0.106 0.000 0.951 52 K CB 1.148 33.583 32.500 -0.109 0.000 1.040 52 K HN 0.317 nan 8.250 nan 0.000 0.536 53 V N 5.723 125.648 119.914 0.018 0.000 2.498 53 V HA 0.159 4.282 4.120 0.005 0.000 0.279 53 V C -2.138 173.982 176.094 0.044 0.000 1.048 53 V CA -1.675 60.667 62.300 0.071 0.000 0.967 53 V CB 1.112 33.077 31.823 0.236 0.000 0.988 53 V HN 0.121 nan 8.190 nan 0.000 0.473 54 P HA 0.097 nan 4.420 nan 0.000 0.267 54 P C 0.460 177.809 177.300 0.081 0.000 1.209 54 P CA -0.293 62.830 63.100 0.039 0.000 0.763 54 P CB 0.751 32.476 31.700 0.043 0.000 0.816 55 M N 1.546 121.171 119.600 0.042 0.000 2.700 55 M HA -0.058 4.425 4.480 0.005 0.000 0.249 55 M C 0.806 177.259 176.300 0.253 0.000 1.082 55 M CA 1.035 56.375 55.300 0.067 0.000 1.077 55 M CB -1.218 31.380 32.600 -0.004 0.000 1.477 55 M HN 0.367 nan 8.290 nan 0.000 0.529 56 D N -0.633 119.929 120.400 0.269 0.000 2.354 56 D HA 0.136 4.779 4.640 0.005 0.000 0.209 56 D C 1.547 178.104 176.300 0.428 0.000 1.015 56 D CA 0.644 54.897 54.000 0.421 0.000 0.867 56 D CB 0.564 41.521 40.800 0.262 0.000 0.933 56 D HN 0.363 nan 8.370 nan 0.000 0.520 57 A N 0.465 123.465 122.820 0.299 0.000 2.074 57 A HA 0.015 4.338 4.320 0.005 0.000 0.200 57 A C 1.827 179.550 177.584 0.232 0.000 1.335 57 A CA -0.371 51.830 52.037 0.272 0.000 0.922 57 A CB -0.741 18.329 19.000 0.117 0.000 0.972 57 A HN 0.267 nan 8.150 nan 0.000 0.475 58 W N 1.011 122.246 121.300 -0.108 0.000 2.277 58 W HA -0.327 4.336 4.660 0.004 0.000 0.327 58 W C 1.257 177.468 176.519 -0.513 0.000 1.284 58 W CA 2.400 59.505 57.345 -0.400 0.000 1.277 58 W CB -0.768 28.305 29.460 -0.645 0.000 1.141 58 W HN 0.371 nan 8.180 nan 0.000 0.482 59 F N -1.015 118.825 119.950 -0.183 0.000 2.502 59 F HA -0.071 4.459 4.527 0.005 0.000 0.298 59 F C 2.041 177.541 175.800 -0.498 0.000 1.111 59 F CA 0.949 58.690 58.000 -0.431 0.000 1.445 59 F CB -1.013 37.724 39.000 -0.439 0.000 1.081 59 F HN -0.244 nan 8.300 nan 0.000 0.558 60 F N -0.797 119.101 119.950 -0.086 0.000 2.569 60 F HA 0.043 4.573 4.527 0.006 0.000 0.295 60 F C 1.189 176.920 175.800 -0.113 0.000 1.115 60 F CA 0.500 58.452 58.000 -0.080 0.000 1.450 60 F CB 0.082 39.049 39.000 -0.056 0.000 1.107 60 F HN -0.142 nan 8.300 nan 0.000 0.563 61 Q N 0.393 120.157 119.800 -0.059 0.000 2.563 61 Q HA 0.127 4.470 4.340 0.005 0.000 0.367 61 Q C -0.954 174.785 176.000 -0.434 0.000 0.845 61 Q CA -0.243 55.464 55.803 -0.160 0.000 1.077 61 Q CB 0.051 28.715 28.738 -0.122 0.000 1.409 61 Q HN 0.070 nan 8.270 nan 0.000 0.396 62 N N 3.562 121.951 118.700 -0.517 0.000 2.434 62 N HA 0.023 4.766 4.740 0.005 0.000 0.268 62 N C -1.448 173.657 175.510 -0.675 0.000 1.256 62 N CA -0.934 51.605 53.050 -0.852 0.000 0.914 62 N CB 1.095 39.223 38.487 -0.598 0.000 1.088 62 N HN 0.124 nan 8.380 nan 0.000 0.478 63 P HA -0.041 nan 4.420 nan 0.000 0.241 63 P C -0.376 176.833 177.300 -0.151 0.000 1.191 63 P CA 0.572 63.366 63.100 -0.510 0.000 0.771 63 P CB 0.159 31.546 31.700 -0.522 0.000 0.929 64 Y N 0.969 121.070 120.300 -0.332 0.000 2.600 64 Y HA 0.368 4.920 4.550 0.005 0.000 0.351 64 Y C 1.897 177.822 175.900 0.041 0.000 1.042 64 Y CA -1.631 56.448 58.100 -0.036 0.000 1.333 64 Y CB -0.243 38.304 38.460 0.144 0.000 1.172 64 Y HN -0.027 nan 8.280 nan 0.000 0.517 65 A N 2.794 125.685 122.820 0.119 0.000 2.125 65 A HA -0.149 4.174 4.320 0.005 0.000 0.219 65 A C 1.932 179.600 177.584 0.139 0.000 1.156 65 A CA 1.392 53.499 52.037 0.118 0.000 0.671 65 A CB -0.258 18.748 19.000 0.010 0.000 0.794 65 A HN 0.682 nan 8.150 nan 0.000 0.459 66 E N -1.624 118.547 120.200 -0.048 0.000 2.502 66 E HA -0.144 4.209 4.350 0.005 0.000 0.194 66 E C 0.569 177.142 176.600 -0.045 0.000 1.062 66 E CA 0.183 56.217 56.400 -0.611 0.000 0.867 66 E CB -0.415 28.481 29.700 -1.340 0.000 0.888 66 E HN 0.770 nan 8.360 nan 0.000 0.510 67 W N 0.578 121.981 121.300 0.172 0.000 3.388 67 W HA 0.220 4.885 4.660 0.008 0.000 0.324 67 W C 1.418 178.110 176.519 0.289 0.000 1.250 67 W CA -0.873 56.716 57.345 0.407 0.000 1.809 67 W CB -0.614 29.091 29.460 0.408 0.000 1.083 67 W HN 0.113 nan 8.180 nan 0.000 0.685 68 Y N 1.530 122.019 120.300 0.315 0.000 2.062 68 Y HA -0.409 4.143 4.550 0.004 0.000 0.276 68 Y C 2.511 178.494 175.900 0.138 0.000 1.189 68 Y CA 2.707 60.973 58.100 0.276 0.000 1.130 68 Y CB -0.263 38.416 38.460 0.365 0.000 0.959 68 Y HN 0.106 nan 8.280 nan 0.000 0.499 69 E N -0.367 119.906 120.200 0.122 0.000 2.077 69 E HA -0.289 4.064 4.350 0.005 0.000 0.193 69 E C 2.015 178.400 176.600 -0.359 0.000 0.989 69 E CA 1.371 57.568 56.400 -0.339 0.000 0.800 69 E CB -0.345 28.740 29.700 -1.025 0.000 0.746 69 E HN 0.558 nan 8.360 nan 0.000 0.452 70 N N -0.171 118.220 118.700 -0.515 0.000 2.120 70 N HA -0.129 4.614 4.740 0.005 0.000 0.188 70 N C 1.721 177.060 175.510 -0.284 0.000 1.024 70 N CA 1.939 54.580 53.050 -0.682 0.000 0.852 70 N CB -0.041 38.036 38.487 -0.684 0.000 1.003 70 N HN 0.002 nan 8.380 nan 0.000 0.424 71 S N 0.045 115.678 115.700 -0.112 0.000 2.383 71 S HA -0.088 4.385 4.470 0.005 0.000 0.227 71 S C 1.707 176.258 174.600 -0.082 0.000 1.026 71 S CA 0.628 58.779 58.200 -0.081 0.000 0.981 71 S CB -0.416 62.763 63.200 -0.036 0.000 0.818 71 S HN 0.337 nan 8.310 nan 0.000 0.472 72 L N 2.267 123.402 121.223 -0.146 0.000 2.083 72 L HA 0.025 4.368 4.340 0.005 0.000 0.209 72 L C 2.037 178.949 176.870 0.070 0.000 1.083 72 L CA 1.641 56.458 54.840 -0.038 0.000 0.752 72 L CB -0.583 41.416 42.059 -0.100 0.000 0.899 72 L HN 0.110 nan 8.230 nan 0.000 0.433 73 R N -0.679 119.774 120.500 -0.077 0.000 2.235 73 R HA 0.083 4.426 4.340 0.005 0.000 0.213 73 R C 0.415 176.639 176.300 -0.125 0.000 1.059 73 R CA 0.402 56.440 56.100 -0.104 0.000 0.997 73 R CB -0.231 29.945 30.300 -0.207 0.000 0.884 73 R HN 0.325 nan 8.270 nan 0.000 0.462 74 I N 2.996 123.495 120.570 -0.118 0.000 2.269 74 I HA 0.041 4.214 4.170 0.005 0.000 0.293 74 I C -0.079 175.966 176.117 -0.120 0.000 1.106 74 I CA -0.475 60.753 61.300 -0.119 0.000 1.248 74 I CB 0.556 38.484 38.000 -0.120 0.000 1.444 74 I HN -0.146 nan 8.210 nan 0.000 0.497 75 K N 4.873 125.086 120.400 -0.311 0.000 2.527 75 K HA -0.027 4.296 4.320 0.005 0.000 0.278 75 K C 0.317 176.697 176.600 -0.366 0.000 0.981 75 K CA 0.188 56.052 56.287 -0.705 0.000 1.009 75 K CB 0.171 32.202 32.500 -0.783 0.000 0.895 75 K HN 0.462 nan 8.250 nan 0.000 0.493 76 E N -0.004 120.002 120.200 -0.323 0.000 2.613 76 E HA -0.194 4.159 4.350 0.005 0.000 0.161 76 E C -1.300 175.376 176.600 0.127 0.000 1.664 76 E CA 0.894 57.311 56.400 0.028 0.000 0.661 76 E CB -0.992 28.666 29.700 -0.071 0.000 1.098 76 E HN 0.667 nan 8.360 nan 0.000 0.364 77 S N 0.885 116.730 115.700 0.242 0.000 2.537 77 S HA 0.624 5.096 4.470 0.005 0.000 0.271 77 S C -2.407 172.345 174.600 0.254 0.000 1.148 77 S CA -1.219 57.118 58.200 0.229 0.000 0.868 77 S CB 2.175 65.497 63.200 0.203 0.000 1.115 77 S HN -0.075 nan 8.310 nan 0.000 0.461 78 P HA -0.134 nan 4.420 nan 0.000 0.216 78 P C 1.436 178.892 177.300 0.260 0.000 1.154 78 P CA 2.068 65.349 63.100 0.303 0.000 0.865 78 P CB -0.224 31.701 31.700 0.375 0.000 0.789 79 T N -2.309 112.421 114.554 0.292 0.000 2.746 79 T HA -0.197 4.156 4.350 0.005 0.000 0.267 79 T C 1.414 176.126 174.700 0.021 0.000 1.039 79 T CA 1.256 63.417 62.100 0.103 0.000 1.142 79 T CB -0.978 67.884 68.868 -0.009 0.000 0.866 79 T HN 0.213 nan 8.240 nan 0.000 0.444 80 W N 2.212 123.501 121.300 -0.018 0.000 2.358 80 W HA -0.086 4.577 4.660 0.004 0.000 0.303 80 W C 2.216 178.758 176.519 0.038 0.000 1.208 80 W CA 0.954 58.307 57.345 0.013 0.000 1.274 80 W CB -0.087 29.379 29.460 0.010 0.000 1.138 80 W HN 0.105 nan 8.180 nan 0.000 0.515 81 E N -0.589 119.675 120.200 0.106 0.000 2.038 81 E HA -0.308 4.044 4.350 0.005 0.000 0.195 81 E C 1.888 178.353 176.600 -0.225 0.000 1.000 81 E CA 1.850 58.223 56.400 -0.044 0.000 0.803 81 E CB -1.523 28.233 29.700 0.094 0.000 0.750 81 E HN 0.491 nan 8.360 nan 0.000 0.448 82 Y N 1.005 121.090 120.300 -0.358 0.000 2.207 82 Y HA -0.287 4.266 4.550 0.005 0.000 0.287 82 Y C 2.492 178.176 175.900 -0.360 0.000 1.156 82 Y CA 2.292 60.068 58.100 -0.539 0.000 1.182 82 Y CB -0.373 37.342 38.460 -1.241 0.000 0.979 82 Y HN 0.209 nan 8.280 nan 0.000 0.521 83 H N -0.974 117.892 119.070 -0.340 0.000 2.299 83 H HA -0.126 4.433 4.556 0.004 0.000 0.302 83 H C 2.218 177.347 175.328 -0.333 0.000 1.078 83 H CA 2.420 58.366 56.048 -0.169 0.000 1.323 83 H CB -0.499 29.262 29.762 -0.001 0.000 1.381 83 H HN 0.175 nan 8.280 nan 0.000 0.498 84 V N 0.854 120.480 119.914 -0.481 0.000 2.392 84 V HA -0.273 3.850 4.120 0.005 0.000 0.249 84 V C 2.119 177.961 176.094 -0.419 0.000 1.059 84 V CA 2.338 64.344 62.300 -0.491 0.000 1.051 84 V CB -0.381 30.998 31.823 -0.741 0.000 0.658 84 V HN 0.442 nan 8.190 nan 0.000 0.455 85 K N -0.567 119.561 120.400 -0.454 0.000 2.167 85 K HA -0.054 4.269 4.320 0.005 0.000 0.203 85 K C 2.124 178.422 176.600 -0.503 0.000 1.052 85 K CA 1.621 57.667 56.287 -0.401 0.000 0.956 85 K CB -0.241 32.049 32.500 -0.351 0.000 0.735 85 K HN 0.479 nan 8.250 nan 0.000 0.451 86 T N -0.505 113.607 114.554 -0.737 0.000 2.901 86 T HA 0.004 4.357 4.350 0.005 0.000 0.252 86 T C 1.249 175.307 174.700 -1.071 0.000 1.035 86 T CA 0.930 62.452 62.100 -0.962 0.000 1.142 86 T CB -0.092 67.954 68.868 -1.370 0.000 0.869 86 T HN 0.173 nan 8.240 nan 0.000 0.442 87 Y N 0.827 120.725 120.300 -0.670 0.000 2.535 87 Y HA 0.483 5.036 4.550 0.006 0.000 0.264 87 Y C 1.430 177.061 175.900 -0.447 0.000 1.087 87 Y CA 0.102 57.776 58.100 -0.710 0.000 1.285 87 Y CB 0.639 38.282 38.460 -1.361 0.000 1.200 87 Y HN 0.391 nan 8.280 nan 0.000 0.514 88 G N 0.924 109.534 108.800 -0.316 0.000 2.629 88 G HA2 -0.229 3.734 3.960 0.005 0.000 0.686 88 G HA3 -0.229 3.734 3.960 0.005 0.000 0.686 88 G C 0.005 174.887 174.900 -0.030 0.000 1.232 88 G CA -0.160 44.854 45.100 -0.143 0.000 0.803 88 G HN 0.239 nan 8.290 nan 0.000 0.638 89 E N -0.361 119.834 120.200 -0.008 0.000 2.338 89 E HA -0.032 4.321 4.350 0.005 0.000 0.197 89 E C 1.713 178.408 176.600 0.158 0.000 1.007 89 E CA 1.299 57.747 56.400 0.080 0.000 0.849 89 E CB -0.084 29.666 29.700 0.084 0.000 0.774 89 E HN 0.518 nan 8.360 nan 0.000 0.506 90 N N -0.366 118.415 118.700 0.136 0.000 2.295 90 N HA 0.095 4.838 4.740 0.005 0.000 0.221 90 N C -1.052 174.550 175.510 0.153 0.000 1.129 90 N CA -0.248 52.875 53.050 0.121 0.000 0.836 90 N CB 0.336 38.862 38.487 0.066 0.000 1.040 90 N HN 0.058 nan 8.380 nan 0.000 0.494 91 F N 1.974 121.963 119.950 0.065 0.000 2.325 91 F HA 0.282 4.815 4.527 0.008 0.000 0.369 91 F C -0.377 175.479 175.800 0.093 0.000 1.095 91 F CA -1.288 56.733 58.000 0.035 0.000 1.082 91 F CB 0.545 39.533 39.000 -0.020 0.000 1.289 91 F HN -0.031 nan 8.300 nan 0.000 0.462 92 E N 4.423 124.656 120.200 0.056 0.000 2.392 92 E HA -0.061 4.292 4.350 0.005 0.000 0.264 92 E C 0.370 177.028 176.600 0.096 0.000 1.024 92 E CA -0.110 56.334 56.400 0.074 0.000 0.903 92 E CB 0.413 30.088 29.700 -0.042 0.000 0.963 92 E HN 0.745 nan 8.360 nan 0.000 0.432 93 Y N 2.377 122.745 120.300 0.113 0.000 2.151 93 Y HA -0.305 4.247 4.550 0.004 0.000 0.284 93 Y C 1.404 177.439 175.900 0.226 0.000 1.166 93 Y CA 2.285 60.523 58.100 0.231 0.000 1.163 93 Y CB 0.026 38.652 38.460 0.278 0.000 0.974 93 Y HN 0.607 nan 8.280 nan 0.000 0.511 94 E N 0.224 120.476 120.200 0.086 0.000 2.267 94 E HA -0.213 4.140 4.350 0.005 0.000 0.197 94 E C 2.004 178.598 176.600 -0.010 0.000 0.998 94 E CA 1.351 57.824 56.400 0.122 0.000 0.830 94 E CB -0.214 29.509 29.700 0.038 0.000 0.751 94 E HN 0.418 nan 8.360 nan 0.000 0.491 95 K N -0.143 120.100 120.400 -0.261 0.000 2.209 95 K HA -0.089 4.234 4.320 0.005 0.000 0.204 95 K C 1.349 177.803 176.600 -0.244 0.000 1.048 95 K CA 0.807 56.815 56.287 -0.466 0.000 0.940 95 K CB -0.151 31.586 32.500 -1.272 0.000 0.729 95 K HN 0.148 nan 8.250 nan 0.000 0.451 96 F N 0.330 120.242 119.950 -0.064 0.000 2.250 96 F HA -0.220 4.310 4.527 0.005 0.000 0.301 96 F C 2.232 177.897 175.800 -0.225 0.000 1.077 96 F CA 0.405 58.324 58.000 -0.136 0.000 1.348 96 F CB -0.124 38.639 39.000 -0.396 0.000 1.040 96 F HN 0.144 nan 8.300 nan 0.000 0.509 97 A N -0.219 122.536 122.820 -0.109 0.000 2.024 97 A HA -0.214 4.109 4.320 0.005 0.000 0.220 97 A C 1.698 179.257 177.584 -0.042 0.000 1.164 97 A CA 2.032 53.925 52.037 -0.240 0.000 0.643 97 A CB -0.535 18.366 19.000 -0.165 0.000 0.806 97 A HN 0.281 nan 8.150 nan 0.000 0.451 98 D N -0.569 119.834 120.400 0.005 0.000 2.333 98 D HA 0.063 4.706 4.640 0.005 0.000 0.208 98 D C 1.710 178.043 176.300 0.055 0.000 0.984 98 D CA 0.465 54.475 54.000 0.017 0.000 0.873 98 D CB 0.011 40.806 40.800 -0.007 0.000 0.935 98 D HN 0.462 nan 8.370 nan 0.000 0.521 99 L N -0.215 121.081 121.223 0.121 0.000 2.375 99 L HA 0.068 4.411 4.340 0.005 0.000 0.215 99 L C 0.756 177.713 176.870 0.146 0.000 1.108 99 L CA -0.054 54.884 54.840 0.164 0.000 0.830 99 L CB -0.001 42.230 42.059 0.287 0.000 0.959 99 L HN -0.083 nan 8.230 nan 0.000 0.457 100 F N 2.391 122.272 119.950 -0.115 0.000 2.613 100 F HA 0.032 4.561 4.527 0.003 0.000 0.341 100 F C 1.410 177.111 175.800 -0.166 0.000 1.288 100 F CA -0.347 57.523 58.000 -0.217 0.000 1.103 100 F CB -0.130 38.609 39.000 -0.435 0.000 1.423 100 F HN -0.058 nan 8.300 nan 0.000 0.651 101 T N 1.664 116.093 114.554 -0.208 0.000 3.014 101 T HA 0.337 4.690 4.350 0.005 0.000 0.250 101 T C 1.360 175.900 174.700 -0.266 0.000 1.060 101 T CA 0.319 62.274 62.100 -0.241 0.000 1.040 101 T CB -0.232 68.600 68.868 -0.061 0.000 0.971 101 T HN 1.068 nan 8.240 nan 0.000 0.497 102 A N 1.486 124.164 122.820 -0.237 0.000 2.748 102 A HA -0.295 4.028 4.320 0.005 0.000 0.297 102 A C 1.238 178.883 177.584 0.101 0.000 1.508 102 A CA 1.403 53.432 52.037 -0.013 0.000 0.799 102 A CB -2.578 16.301 19.000 -0.203 0.000 1.011 102 A HN 0.703 nan 8.150 nan 0.000 0.500 103 E N -0.385 119.857 120.200 0.070 0.000 2.130 103 E HA -0.216 4.136 4.350 0.005 0.000 0.196 103 E C 1.339 178.003 176.600 0.107 0.000 0.998 103 E CA 1.703 58.147 56.400 0.073 0.000 0.806 103 E CB -0.103 29.632 29.700 0.057 0.000 0.738 103 E HN 0.825 nan 8.360 nan 0.000 0.459 104 K N -0.531 119.956 120.400 0.146 0.000 2.570 104 K HA 0.038 4.361 4.320 0.005 0.000 0.210 104 K C -0.595 176.129 176.600 0.207 0.000 1.048 104 K CA -0.478 55.894 56.287 0.141 0.000 1.167 104 K CB 0.197 32.770 32.500 0.121 0.000 0.892 104 K HN 0.079 nan 8.250 nan 0.000 0.480 105 W N 2.422 123.725 121.300 0.005 0.000 2.287 105 W HA 0.105 4.768 4.660 0.005 0.000 0.313 105 W C -0.463 175.957 176.519 -0.165 0.000 1.267 105 W CA -0.331 56.965 57.345 -0.081 0.000 1.201 105 W CB 0.673 30.113 29.460 -0.033 0.000 1.196 105 W HN 0.008 nan 8.180 nan 0.000 0.536 106 D N 8.394 128.392 120.400 -0.670 0.000 2.346 106 D HA 0.211 4.854 4.640 0.005 0.000 0.255 106 D C -1.395 174.231 176.300 -1.123 0.000 1.276 106 D CA -2.025 51.520 54.000 -0.759 0.000 0.941 106 D CB 1.683 42.276 40.800 -0.345 0.000 1.199 106 D HN 0.093 nan 8.370 nan 0.000 0.537 107 P HA -0.222 nan 4.420 nan 0.000 0.217 107 P C 1.305 178.282 177.300 -0.539 0.000 1.151 107 P CA 0.986 63.364 63.100 -1.202 0.000 0.849 107 P CB 0.601 31.610 31.700 -1.151 0.000 0.787 108 Q N 0.147 119.692 119.800 -0.425 0.000 2.124 108 Q HA -0.160 4.183 4.340 0.005 0.000 0.202 108 Q C 2.246 178.132 176.000 -0.190 0.000 0.977 108 Q CA 1.341 57.002 55.803 -0.238 0.000 0.850 108 Q CB -0.650 27.976 28.738 -0.187 0.000 0.901 108 Q HN 0.455 nan 8.270 nan 0.000 0.429 109 E N -0.965 119.105 120.200 -0.217 0.000 2.077 109 E HA -0.188 4.165 4.350 0.005 0.000 0.193 109 E C 1.502 178.049 176.600 -0.087 0.000 0.989 109 E CA 0.891 57.216 56.400 -0.125 0.000 0.800 109 E CB 0.013 29.657 29.700 -0.093 0.000 0.746 109 E HN 0.334 nan 8.360 nan 0.000 0.452 110 W N 0.339 121.408 121.300 -0.386 0.000 2.379 110 W HA -0.003 4.660 4.660 0.005 0.000 0.307 110 W C 2.425 178.383 176.519 -0.934 0.000 1.200 110 W CA 1.056 57.989 57.345 -0.686 0.000 1.297 110 W CB -1.075 28.114 29.460 -0.452 0.000 1.140 110 W HN 0.143 nan 8.180 nan 0.000 0.507 111 A N -0.175 122.540 122.820 -0.174 0.000 1.940 111 A HA -0.248 4.075 4.320 0.005 0.000 0.219 111 A C 1.709 179.258 177.584 -0.057 0.000 1.176 111 A CA 2.319 54.349 52.037 -0.012 0.000 0.631 111 A CB -0.978 18.045 19.000 0.039 0.000 0.814 111 A HN 0.257 nan 8.150 nan 0.000 0.446 112 D N -0.925 119.412 120.400 -0.106 0.000 2.097 112 D HA -0.114 4.529 4.640 0.005 0.000 0.197 112 D C 1.833 178.093 176.300 -0.066 0.000 0.984 112 D CA 1.209 55.171 54.000 -0.064 0.000 0.826 112 D CB -0.126 40.634 40.800 -0.065 0.000 0.973 112 D HN 0.306 nan 8.370 nan 0.000 0.460 113 L N -0.158 120.962 121.223 -0.171 0.000 2.042 113 L HA -0.117 4.226 4.340 0.005 0.000 0.210 113 L C 1.742 178.610 176.870 -0.004 0.000 1.076 113 L CA 1.652 56.411 54.840 -0.135 0.000 0.749 113 L CB -0.797 41.112 42.059 -0.250 0.000 0.893 113 L HN 0.148 nan 8.230 nan 0.000 0.432 114 F N -0.258 119.717 119.950 0.042 0.000 2.171 114 F HA -0.200 4.330 4.527 0.004 0.000 0.300 114 F C 2.599 178.410 175.800 0.018 0.000 1.090 114 F CA 1.208 59.212 58.000 0.007 0.000 1.293 114 F CB -0.395 38.599 39.000 -0.009 0.000 1.013 114 F HN 0.106 nan 8.300 nan 0.000 0.486 115 K N 1.311 121.828 120.400 0.195 0.000 2.001 115 K HA -0.161 4.161 4.320 0.005 0.000 0.208 115 K C 1.972 178.651 176.600 0.131 0.000 1.048 115 K CA 1.246 57.613 56.287 0.133 0.000 0.932 115 K CB -0.102 32.449 32.500 0.086 0.000 0.715 115 K HN 0.113 nan 8.250 nan 0.000 0.437 116 K N 0.035 120.498 120.400 0.104 0.000 2.152 116 K HA -0.123 4.200 4.320 0.005 0.000 0.206 116 K C 1.879 178.573 176.600 0.158 0.000 1.048 116 K CA 1.241 57.589 56.287 0.102 0.000 0.933 116 K CB -0.107 32.433 32.500 0.066 0.000 0.721 116 K HN 0.223 nan 8.250 nan 0.000 0.447 117 A N 0.056 122.999 122.820 0.205 0.000 2.209 117 A HA 0.074 4.397 4.320 0.005 0.000 0.212 117 A C 1.487 179.341 177.584 0.449 0.000 1.158 117 A CA 1.216 53.431 52.037 0.297 0.000 0.742 117 A CB -0.349 18.856 19.000 0.341 0.000 0.790 117 A HN 0.463 nan 8.150 nan 0.000 0.472 118 G N -2.477 106.561 108.800 0.396 0.000 2.176 118 G HA2 0.115 4.078 3.960 0.005 0.000 0.232 118 G HA3 0.115 4.078 3.960 0.005 0.000 0.232 118 G C 0.393 175.652 174.900 0.598 0.000 0.986 118 G CA 0.213 45.635 45.100 0.537 0.000 0.643 118 G HN 1.572 nan 8.290 nan 0.000 0.522 119 A N 0.012 122.918 122.820 0.143 0.000 2.388 119 A HA 0.693 5.016 4.320 0.005 0.000 0.257 119 A C 1.234 178.759 177.584 -0.098 0.000 1.095 119 A CA 0.446 52.200 52.037 -0.472 0.000 0.791 119 A CB 0.504 19.014 19.000 -0.818 0.000 1.029 119 A HN 0.122 nan 8.150 nan 0.000 0.489 120 K N 0.330 120.706 120.400 -0.040 0.000 2.354 120 K HA 0.159 4.482 4.320 0.005 0.000 0.194 120 K C -0.765 176.003 176.600 0.279 0.000 1.038 120 K CA 0.700 57.088 56.287 0.168 0.000 1.052 120 K CB 0.054 32.748 32.500 0.323 0.000 0.861 120 K HN 0.817 nan 8.250 nan 0.000 0.535 121 Y N -3.292 117.006 120.300 -0.003 0.000 2.592 121 Y HA 0.569 5.122 4.550 0.004 0.000 0.334 121 Y C -0.991 174.886 175.900 -0.038 0.000 1.136 121 Y CA -1.534 56.593 58.100 0.044 0.000 1.042 121 Y CB 1.038 39.611 38.460 0.188 0.000 1.325 121 Y HN -0.336 nan 8.280 nan 0.000 0.457 122 V N 3.993 123.971 119.914 0.107 0.000 2.604 122 V HA 0.561 4.684 4.120 0.005 0.000 0.305 122 V C -0.525 175.574 176.094 0.007 0.000 1.043 122 V CA -0.823 61.447 62.300 -0.051 0.000 0.888 122 V CB 1.852 33.727 31.823 0.087 0.000 0.995 122 V HN 0.733 nan 8.190 nan 0.000 0.429 123 I N 6.540 127.091 120.570 -0.031 0.000 2.476 123 I HA 0.396 4.569 4.170 0.005 0.000 0.281 123 I C -2.631 173.567 176.117 0.136 0.000 1.040 123 I CA -1.634 59.672 61.300 0.010 0.000 1.094 123 I CB 2.554 40.591 38.000 0.063 0.000 1.219 123 I HN 0.431 nan 8.210 nan 0.000 0.450 124 P HA 0.210 nan 4.420 nan 0.000 0.284 124 P C -0.417 176.951 177.300 0.113 0.000 1.258 124 P CA -0.418 62.771 63.100 0.148 0.000 0.824 124 P CB 1.129 33.021 31.700 0.321 0.000 1.038 125 T N -1.763 112.773 114.554 -0.030 0.000 2.751 125 T HA 0.143 4.496 4.350 0.005 0.000 0.290 125 T C 1.396 176.236 174.700 0.234 0.000 0.919 125 T CA -0.059 62.018 62.100 -0.037 0.000 1.136 125 T CB -0.718 67.933 68.868 -0.361 0.000 0.875 125 T HN 0.523 nan 8.240 nan 0.000 0.532 126 T N -0.295 114.476 114.554 0.362 0.000 3.014 126 T HA 0.132 4.484 4.350 0.005 0.000 0.263 126 T C 0.538 175.593 174.700 0.592 0.000 1.078 126 T CA 0.153 62.519 62.100 0.444 0.000 1.135 126 T CB -0.015 69.014 68.868 0.270 0.000 0.895 126 T HN 0.692 nan 8.240 nan 0.000 0.480 127 K N 0.466 121.148 120.400 0.470 0.000 2.610 127 K HA 0.149 4.472 4.320 0.005 0.000 0.274 127 K C -1.568 175.160 176.600 0.214 0.000 1.049 127 K CA -0.610 55.876 56.287 0.333 0.000 0.945 127 K CB 1.249 33.940 32.500 0.317 0.000 1.313 127 K HN 0.324 nan 8.250 nan 0.000 0.463 128 H N 1.915 121.057 119.070 0.119 0.000 2.497 128 H HA 0.192 4.750 4.556 0.004 0.000 0.331 128 H C 0.892 176.122 175.328 -0.163 0.000 1.457 128 H CA 0.081 56.108 56.048 -0.036 0.000 1.459 128 H CB 0.975 30.672 29.762 -0.110 0.000 1.728 128 H HN 0.676 nan 8.280 nan 0.000 0.691 129 H N 0.337 119.003 119.070 -0.674 0.000 2.431 129 H HA -0.169 4.390 4.556 0.004 0.000 0.297 129 H C 1.507 176.222 175.328 -1.022 0.000 1.115 129 H CA 1.521 56.881 56.048 -1.147 0.000 1.277 129 H CB -0.525 27.986 29.762 -2.086 0.000 1.372 129 H HN 0.605 nan 8.280 nan 0.000 0.516 130 D N -0.411 119.822 120.400 -0.277 0.000 2.350 130 D HA -0.023 4.620 4.640 0.005 0.000 0.216 130 D C 1.792 178.331 176.300 0.398 0.000 0.968 130 D CA 1.059 55.197 54.000 0.229 0.000 0.894 130 D CB -0.564 40.574 40.800 0.563 0.000 0.909 130 D HN 0.488 nan 8.370 nan 0.000 0.520 131 G N -0.301 108.679 108.800 0.300 0.000 2.205 131 G HA2 -0.305 3.658 3.960 0.005 0.000 0.261 131 G HA3 -0.305 3.658 3.960 0.005 0.000 0.261 131 G C 0.033 175.271 174.900 0.563 0.000 0.980 131 G CA 0.111 45.471 45.100 0.432 0.000 0.632 131 G HN 0.472 nan 8.290 nan 0.000 0.533 132 F N 2.415 122.586 119.950 0.369 0.000 2.467 132 F HA 0.536 5.065 4.527 0.004 0.000 0.362 132 F C 0.809 176.613 175.800 0.007 0.000 1.090 132 F CA -0.538 57.434 58.000 -0.046 0.000 1.202 132 F CB 0.493 39.265 39.000 -0.379 0.000 1.113 132 F HN 0.198 nan 8.300 nan 0.000 0.541 133 C N 7.813 126.697 119.300 -0.695 0.000 2.295 133 C HA 0.323 4.785 4.460 0.005 0.000 0.331 133 C C 0.905 175.589 174.990 -0.510 0.000 1.280 133 C CA -0.900 57.857 59.018 -0.435 0.000 1.746 133 C CB 0.505 27.808 27.740 -0.727 0.000 2.328 133 C HN 0.831 nan 8.230 nan 0.000 0.521 134 L N 2.691 123.952 121.223 0.064 0.000 2.682 134 L HA 0.189 4.532 4.340 0.005 0.000 0.240 134 L C 0.155 177.210 176.870 0.308 0.000 1.178 134 L CA 0.568 55.491 54.840 0.139 0.000 0.970 134 L CB -0.959 41.233 42.059 0.221 0.000 1.179 134 L HN 0.895 nan 8.230 nan 0.000 0.435 135 W N -3.636 117.655 121.300 -0.015 0.000 3.062 135 W HA 0.663 5.330 4.660 0.012 0.000 0.336 135 W C 0.668 177.209 176.519 0.037 0.000 1.224 135 W CA -1.497 55.896 57.345 0.080 0.000 1.159 135 W CB 0.641 30.244 29.460 0.239 0.000 1.454 135 W HN -0.186 nan 8.180 nan 0.000 0.569 136 G N 2.019 110.910 108.800 0.153 0.000 3.180 136 G HA2 0.221 4.184 3.960 0.005 0.000 0.252 136 G HA3 0.221 4.184 3.960 0.005 0.000 0.252 136 G C 0.294 175.059 174.900 -0.225 0.000 0.871 136 G CA 0.312 45.372 45.100 -0.066 0.000 1.979 136 G HN 0.663 nan 8.290 nan 0.000 0.624 137 T N -0.555 113.528 114.554 -0.785 0.000 2.856 137 T HA 0.033 4.386 4.350 0.005 0.000 0.329 137 T C 1.716 176.202 174.700 -0.356 0.000 1.094 137 T CA 0.557 62.292 62.100 -0.608 0.000 1.112 137 T CB 0.507 68.848 68.868 -0.879 0.000 1.009 137 T HN 0.609 nan 8.240 nan 0.000 0.550 138 K N 2.128 122.244 120.400 -0.473 0.000 2.367 138 K HA 0.080 4.403 4.320 0.005 0.000 0.194 138 K C 0.811 177.092 176.600 -0.531 0.000 1.027 138 K CA 0.381 56.353 56.287 -0.525 0.000 1.075 138 K CB 0.059 32.211 32.500 -0.580 0.000 0.845 138 K HN 0.745 nan 8.250 nan 0.000 0.529 139 Y N 0.925 121.256 120.300 0.050 0.000 2.466 139 Y HA 0.172 4.725 4.550 0.005 0.000 0.272 139 Y C 0.542 176.607 175.900 0.276 0.000 1.169 139 Y CA -0.234 57.973 58.100 0.178 0.000 1.285 139 Y CB 0.987 39.566 38.460 0.199 0.000 1.078 139 Y HN 0.025 nan 8.280 nan 0.000 0.523 140 T N -1.216 113.461 114.554 0.205 0.000 2.957 140 T HA 0.132 4.485 4.350 0.005 0.000 0.336 140 T C -0.577 174.151 174.700 0.046 0.000 1.462 140 T CA -0.639 61.567 62.100 0.176 0.000 1.073 140 T CB 1.218 70.265 68.868 0.299 0.000 1.319 140 T HN -0.091 nan 8.240 nan 0.000 0.485 141 D N 1.362 121.807 120.400 0.075 0.000 2.349 141 D HA 0.145 4.788 4.640 0.005 0.000 0.215 141 D C 0.184 176.552 176.300 0.113 0.000 1.016 141 D CA 0.314 54.347 54.000 0.055 0.000 0.870 141 D CB 0.086 40.926 40.800 0.067 0.000 0.917 141 D HN 0.358 nan 8.370 nan 0.000 0.524 142 F N 2.780 122.713 119.950 -0.028 0.000 2.605 142 F HA 0.212 4.740 4.527 0.001 0.000 0.352 142 F C -0.058 175.573 175.800 -0.282 0.000 1.236 142 F CA -0.772 57.244 58.000 0.025 0.000 1.267 142 F CB -0.818 38.251 39.000 0.114 0.000 1.632 142 F HN -0.135 nan 8.300 nan 0.000 0.639 143 N N -1.219 117.117 118.700 -0.606 0.000 2.825 143 N HA 0.210 4.953 4.740 0.005 0.000 0.253 143 N C 0.097 175.216 175.510 -0.651 0.000 1.426 143 N CA -0.307 52.134 53.050 -1.015 0.000 0.851 143 N CB 0.766 38.888 38.487 -0.608 0.000 1.470 143 N HN -0.084 nan 8.380 nan 0.000 0.517 144 S N -1.059 114.314 115.700 -0.544 0.000 2.507 144 S HA -0.061 4.412 4.470 0.005 0.000 0.235 144 S C 1.197 175.750 174.600 -0.078 0.000 0.988 144 S CA 0.712 58.852 58.200 -0.100 0.000 0.944 144 S CB -0.464 62.698 63.200 -0.064 0.000 0.762 144 S HN 0.371 nan 8.310 nan 0.000 0.526 145 V N 1.669 121.523 119.914 -0.101 0.000 2.379 145 V HA 0.019 4.142 4.120 0.005 0.000 0.243 145 V C 2.393 178.465 176.094 -0.038 0.000 1.035 145 V CA 1.282 63.552 62.300 -0.050 0.000 1.035 145 V CB -0.350 31.450 31.823 -0.039 0.000 0.673 145 V HN 0.347 nan 8.190 nan 0.000 0.457 146 K N 0.363 120.735 120.400 -0.047 0.000 2.296 146 K HA 0.115 4.438 4.320 0.005 0.000 0.200 146 K C 0.912 177.518 176.600 0.011 0.000 1.048 146 K CA 0.615 56.893 56.287 -0.016 0.000 0.966 146 K CB -0.068 32.427 32.500 -0.010 0.000 0.754 146 K HN 0.437 nan 8.250 nan 0.000 0.466 147 R N -1.377 119.139 120.500 0.026 0.000 2.930 147 R HA 0.425 4.768 4.340 0.005 0.000 0.257 147 R C 0.794 177.114 176.300 0.034 0.000 1.107 147 R CA -0.299 55.839 56.100 0.064 0.000 0.999 147 R CB 1.042 31.434 30.300 0.153 0.000 1.209 147 R HN 0.085 nan 8.270 nan 0.000 0.486 148 G N 1.608 110.409 108.800 0.001 0.000 2.699 148 G HA2 -0.342 3.621 3.960 0.005 0.000 0.351 148 G HA3 -0.342 3.621 3.960 0.005 0.000 0.351 148 G C -1.364 173.436 174.900 -0.166 0.000 1.191 148 G CA 0.776 45.823 45.100 -0.089 0.000 0.953 148 G HN 0.540 nan 8.290 nan 0.000 0.557 149 P HA 0.087 nan 4.420 nan 0.000 0.225 149 P C 0.447 177.673 177.300 -0.123 0.000 1.148 149 P CA 1.421 64.355 63.100 -0.278 0.000 0.779 149 P CB -0.003 31.413 31.700 -0.473 0.000 0.780 150 K N -0.724 119.625 120.400 -0.085 0.000 3.156 150 K HA -0.215 4.108 4.320 0.005 0.000 0.266 150 K C 0.177 176.765 176.600 -0.020 0.000 0.966 150 K CA 0.811 57.075 56.287 -0.039 0.000 0.719 150 K CB -1.760 30.725 32.500 -0.026 0.000 1.333 150 K HN 0.443 nan 8.250 nan 0.000 0.468 151 R N 0.578 121.064 120.500 -0.023 0.000 2.680 151 R HA 0.172 4.515 4.340 0.005 0.000 0.269 151 R C -1.764 174.568 176.300 0.054 0.000 1.026 151 R CA -0.720 55.399 56.100 0.032 0.000 0.889 151 R CB 1.423 31.760 30.300 0.061 0.000 1.241 151 R HN 0.008 nan 8.270 nan 0.000 0.463 152 D N 4.587 125.059 120.400 0.120 0.000 2.453 152 D HA 0.148 4.791 4.640 0.005 0.000 0.223 152 D C 1.087 177.519 176.300 0.220 0.000 1.183 152 D CA -0.239 53.867 54.000 0.177 0.000 0.933 152 D CB 0.593 41.532 40.800 0.230 0.000 1.038 152 D HN 0.564 nan 8.370 nan 0.000 0.513 153 L N 2.673 123.996 121.223 0.167 0.000 1.989 153 L HA -0.188 4.155 4.340 0.005 0.000 0.211 153 L C 2.367 179.421 176.870 0.308 0.000 1.071 153 L CA 0.734 55.685 54.840 0.185 0.000 0.749 153 L CB -0.577 41.410 42.059 -0.120 0.000 0.890 153 L HN 0.289 nan 8.230 nan 0.000 0.431 154 V N 0.606 120.649 119.914 0.215 0.000 2.255 154 V HA -0.256 3.867 4.120 0.005 0.000 0.247 154 V C 2.682 178.679 176.094 -0.162 0.000 1.051 154 V CA 2.206 64.567 62.300 0.102 0.000 1.018 154 V CB -1.504 30.267 31.823 -0.088 0.000 0.641 154 V HN 0.586 nan 8.190 nan 0.000 0.445 155 G N -0.249 108.467 108.800 -0.140 0.000 2.459 155 G HA2 -0.260 3.703 3.960 0.005 0.000 0.217 155 G HA3 -0.260 3.703 3.960 0.005 0.000 0.217 155 G C 1.244 176.142 174.900 -0.004 0.000 1.183 155 G CA 1.087 46.176 45.100 -0.018 0.000 0.776 155 G HN 0.515 nan 8.290 nan 0.000 0.552 156 D N -0.000 120.461 120.400 0.102 0.000 2.218 156 D HA -0.068 4.575 4.640 0.005 0.000 0.204 156 D C 2.326 178.610 176.300 -0.026 0.000 0.976 156 D CA 0.454 54.478 54.000 0.040 0.000 0.853 156 D CB -0.113 40.738 40.800 0.084 0.000 0.939 156 D HN 0.277 nan 8.370 nan 0.000 0.481 157 L N 0.450 121.751 121.223 0.129 0.000 2.240 157 L HA 0.086 4.429 4.340 0.005 0.000 0.211 157 L C 2.037 178.800 176.870 -0.177 0.000 1.106 157 L CA 1.005 55.926 54.840 0.135 0.000 0.793 157 L CB -0.300 42.071 42.059 0.521 0.000 0.927 157 L HN -0.075 nan 8.230 nan 0.000 0.446 158 A N -0.611 121.852 122.820 -0.595 0.000 1.969 158 A HA -0.152 4.171 4.320 0.005 0.000 0.218 158 A C 2.283 179.600 177.584 -0.444 0.000 1.169 158 A CA 1.503 52.859 52.037 -1.134 0.000 0.635 158 A CB -0.354 17.878 19.000 -1.279 0.000 0.810 158 A HN 0.455 nan 8.150 nan 0.000 0.445 159 K N -0.240 120.013 120.400 -0.246 0.000 2.031 159 K HA -0.006 4.317 4.320 0.005 0.000 0.205 159 K C 2.382 178.912 176.600 -0.115 0.000 1.049 159 K CA 1.066 57.271 56.287 -0.138 0.000 0.939 159 K CB -0.351 32.092 32.500 -0.094 0.000 0.717 159 K HN 0.397 nan 8.250 nan 0.000 0.438 160 A N 1.341 124.086 122.820 -0.125 0.000 1.908 160 A HA -0.133 4.190 4.320 0.005 0.000 0.218 160 A C 2.424 179.996 177.584 -0.020 0.000 1.181 160 A CA 1.534 53.512 52.037 -0.097 0.000 0.627 160 A CB -0.732 18.174 19.000 -0.156 0.000 0.818 160 A HN 0.074 nan 8.150 nan 0.000 0.445 161 V N -0.408 119.523 119.914 0.028 0.000 2.358 161 V HA -0.228 3.895 4.120 0.005 0.000 0.246 161 V C 2.630 178.773 176.094 0.081 0.000 1.047 161 V CA 2.226 64.609 62.300 0.138 0.000 1.035 161 V CB -0.755 31.246 31.823 0.297 0.000 0.658 161 V HN 0.518 nan 8.190 nan 0.000 0.452 162 R N -0.423 120.085 120.500 0.013 0.000 2.092 162 R HA -0.107 4.236 4.340 0.005 0.000 0.231 162 R C 2.386 178.682 176.300 -0.005 0.000 1.119 162 R CA 1.072 57.175 56.100 0.004 0.000 0.970 162 R CB -0.197 30.084 30.300 -0.031 0.000 0.864 162 R HN 0.460 nan 8.270 nan 0.000 0.440 163 E N 0.408 120.596 120.200 -0.020 0.000 2.110 163 E HA -0.140 4.213 4.350 0.005 0.000 0.193 163 E C 1.761 178.356 176.600 -0.009 0.000 0.988 163 E CA 1.318 57.704 56.400 -0.023 0.000 0.804 163 E CB -0.141 29.535 29.700 -0.040 0.000 0.745 163 E HN 0.324 nan 8.360 nan 0.000 0.458 164 A N -0.003 122.821 122.820 0.006 0.000 2.216 164 A HA 0.120 4.443 4.320 0.005 0.000 0.214 164 A C 1.667 179.266 177.584 0.026 0.000 1.160 164 A CA 1.268 53.316 52.037 0.019 0.000 0.725 164 A CB -0.440 18.587 19.000 0.045 0.000 0.784 164 A HN 0.305 nan 8.150 nan 0.000 0.472 165 G N -1.685 107.128 108.800 0.020 0.000 2.136 165 G HA2 -0.201 3.762 3.960 0.005 0.000 0.242 165 G HA3 -0.201 3.762 3.960 0.005 0.000 0.242 165 G C 0.024 174.941 174.900 0.028 0.000 0.989 165 G CA 0.370 45.479 45.100 0.015 0.000 0.682 165 G HN 0.430 nan 8.290 nan 0.000 0.522 166 L N -0.038 121.220 121.223 0.058 0.000 2.375 166 L HA 0.599 4.942 4.340 0.005 0.000 0.268 166 L C 1.038 177.957 176.870 0.082 0.000 1.058 166 L CA -1.205 53.687 54.840 0.087 0.000 0.803 166 L CB 0.845 42.987 42.059 0.139 0.000 1.212 166 L HN 0.018 nan 8.230 nan 0.000 0.451 167 R N 1.153 121.692 120.500 0.064 0.000 2.441 167 R HA 0.286 4.629 4.340 0.005 0.000 0.284 167 R C -1.004 175.434 176.300 0.229 0.000 1.070 167 R CA -0.253 55.831 56.100 -0.026 0.000 1.047 167 R CB 0.917 30.944 30.300 -0.454 0.000 1.016 167 R HN 0.298 nan 8.270 nan 0.000 0.477 168 F N 0.868 120.863 119.950 0.075 0.000 2.449 168 F HA 0.544 5.074 4.527 0.004 0.000 0.342 168 F C 0.054 175.997 175.800 0.239 0.000 1.127 168 F CA -0.342 57.759 58.000 0.168 0.000 0.975 168 F CB 1.619 40.698 39.000 0.132 0.000 1.146 168 F HN 0.562 nan 8.300 nan 0.000 0.444 169 G N 3.527 112.202 108.800 -0.209 0.000 2.788 169 G HA2 0.648 4.611 3.960 0.005 0.000 0.293 169 G HA3 0.648 4.611 3.960 0.005 0.000 0.293 169 G C -1.696 172.987 174.900 -0.362 0.000 1.305 169 G CA -0.704 44.373 45.100 -0.039 0.000 1.005 169 G HN 0.951 nan 8.290 nan 0.000 0.496 170 V N -2.187 117.714 119.914 -0.022 0.000 2.735 170 V HA 0.729 4.852 4.120 0.005 0.000 0.310 170 V C -1.116 175.145 176.094 0.278 0.000 1.061 170 V CA -1.304 61.010 62.300 0.024 0.000 0.913 170 V CB 1.270 33.115 31.823 0.036 0.000 1.005 170 V HN 0.818 nan 8.190 nan 0.000 0.428 171 Y N 4.478 124.884 120.300 0.176 0.000 2.361 171 Y HA 0.749 5.302 4.550 0.004 0.000 0.332 171 Y C -1.277 174.804 175.900 0.302 0.000 1.101 171 Y CA -0.764 57.508 58.100 0.286 0.000 1.137 171 Y CB 1.782 40.338 38.460 0.160 0.000 1.207 171 Y HN 0.866 nan 8.280 nan 0.000 0.463 172 Y N 4.006 124.178 120.300 -0.213 0.000 2.433 172 Y HA 0.297 4.848 4.550 0.003 0.000 0.337 172 Y C -0.834 174.904 175.900 -0.269 0.000 1.026 172 Y CA -0.949 57.121 58.100 -0.050 0.000 1.037 172 Y CB 1.944 40.453 38.460 0.083 0.000 1.245 172 Y HN 0.591 nan 8.280 nan 0.000 0.443 173 S N 4.194 119.452 115.700 -0.737 0.000 3.530 173 S HA 0.226 4.699 4.470 0.005 0.000 0.279 173 S C 1.142 175.458 174.600 -0.474 0.000 1.280 173 S CA 0.471 58.378 58.200 -0.488 0.000 0.946 173 S CB -0.704 62.342 63.200 -0.256 0.000 1.501 173 S HN 1.051 nan 8.310 nan 0.000 0.498 174 G N 2.946 111.649 108.800 -0.162 0.000 2.403 174 G HA2 -0.033 3.930 3.960 0.005 0.000 0.216 174 G HA3 -0.033 3.930 3.960 0.005 0.000 0.216 174 G C 1.327 176.145 174.900 -0.136 0.000 1.154 174 G CA 0.525 45.582 45.100 -0.072 0.000 0.784 174 G HN 0.714 nan 8.290 nan 0.000 0.538 175 G N -0.194 108.521 108.800 -0.141 0.000 2.448 175 G HA2 0.224 4.187 3.960 0.005 0.000 0.218 175 G HA3 0.224 4.187 3.960 0.005 0.000 0.218 175 G C 0.524 175.268 174.900 -0.261 0.000 1.135 175 G CA 0.215 45.220 45.100 -0.159 0.000 0.784 175 G HN 0.379 nan 8.290 nan 0.000 0.543 176 L N -0.287 120.736 121.223 -0.334 0.000 2.388 176 L HA 0.554 4.897 4.340 0.005 0.000 0.264 176 L C -1.648 174.947 176.870 -0.459 0.000 0.998 176 L CA -0.892 53.666 54.840 -0.471 0.000 0.817 176 L CB 2.799 44.431 42.059 -0.712 0.000 1.338 176 L HN -0.157 nan 8.230 nan 0.000 0.414 177 D N 1.280 121.406 120.400 -0.456 0.000 2.333 177 D HA 0.126 4.769 4.640 0.005 0.000 0.225 177 D C -0.101 176.213 176.300 0.024 0.000 1.345 177 D CA -0.337 53.550 54.000 -0.189 0.000 0.971 177 D CB 0.951 41.781 40.800 0.050 0.000 1.451 177 D HN 0.387 nan 8.370 nan 0.000 0.561 178 W N 2.573 123.901 121.300 0.047 0.000 2.825 178 W HA 0.048 4.710 4.660 0.003 0.000 0.243 178 W C 1.660 178.189 176.519 0.017 0.000 1.293 178 W CA -0.119 57.221 57.345 -0.009 0.000 1.403 178 W CB -0.321 29.098 29.460 -0.069 0.000 1.134 178 W HN 0.333 nan 8.180 nan 0.000 0.666 179 R N -0.348 120.307 120.500 0.258 0.000 2.316 179 R HA -0.051 4.292 4.340 0.005 0.000 0.202 179 R C 0.819 176.998 176.300 -0.202 0.000 1.029 179 R CA 0.720 56.827 56.100 0.010 0.000 1.018 179 R CB -0.764 29.526 30.300 -0.016 0.000 0.888 179 R HN 0.205 nan 8.270 nan 0.000 0.471 180 F N -0.213 119.716 119.950 -0.034 0.000 2.682 180 F HA 0.128 4.660 4.527 0.008 0.000 0.308 180 F C 0.973 176.738 175.800 -0.058 0.000 1.093 180 F CA -0.209 57.746 58.000 -0.075 0.000 1.244 180 F CB 0.445 39.346 39.000 -0.164 0.000 1.052 180 F HN -0.193 nan 8.300 nan 0.000 0.573 181 T N -4.078 110.549 114.554 0.122 0.000 2.901 181 T HA 0.489 4.842 4.350 0.005 0.000 0.293 181 T C 0.685 175.386 174.700 0.002 0.000 1.084 181 T CA 0.104 62.236 62.100 0.053 0.000 1.008 181 T CB 2.099 71.000 68.868 0.055 0.000 1.170 181 T HN 0.010 nan 8.240 nan 0.000 0.509 182 T N -2.573 111.960 114.554 -0.035 0.000 3.019 182 T HA 0.287 4.639 4.350 0.005 0.000 0.247 182 T C 0.455 175.094 174.700 -0.101 0.000 0.992 182 T CA 0.013 62.078 62.100 -0.058 0.000 1.036 182 T CB -0.124 68.720 68.868 -0.040 0.000 1.063 182 T HN 0.597 nan 8.240 nan 0.000 0.476 183 E N 4.057 124.196 120.200 -0.101 0.000 2.366 183 E HA 0.422 4.775 4.350 0.005 0.000 0.266 183 E C -2.364 174.094 176.600 -0.238 0.000 1.051 183 E CA -2.274 54.048 56.400 -0.130 0.000 0.884 183 E CB 0.874 30.532 29.700 -0.070 0.000 1.006 183 E HN 0.301 nan 8.360 nan 0.000 0.417 184 P HA 0.241 nan 4.420 nan 0.000 0.280 184 P C -0.543 176.519 177.300 -0.398 0.000 1.272 184 P CA -0.539 62.324 63.100 -0.396 0.000 0.819 184 P CB 0.864 32.355 31.700 -0.349 0.000 1.122 185 I N 2.386 122.669 120.570 -0.477 0.000 2.396 185 I HA 0.189 4.361 4.170 0.005 0.000 0.289 185 I C 1.759 177.423 176.117 -0.756 0.000 1.056 185 I CA 0.139 61.084 61.300 -0.592 0.000 1.365 185 I CB 0.549 38.189 38.000 -0.601 0.000 1.407 185 I HN 0.463 nan 8.210 nan 0.000 0.509 186 R N 4.225 124.307 120.500 -0.697 0.000 2.225 186 R HA 0.203 4.545 4.340 0.005 0.000 0.194 186 R C -0.557 175.161 176.300 -0.971 0.000 0.949 186 R CA 0.344 55.932 56.100 -0.853 0.000 1.088 186 R CB 0.667 30.604 30.300 -0.606 0.000 1.106 186 R HN 0.453 nan 8.270 nan 0.000 0.566 187 Y N -0.987 119.233 120.300 -0.132 0.000 2.581 187 Y HA 0.279 4.832 4.550 0.005 0.000 0.345 187 Y C -1.916 174.028 175.900 0.074 0.000 1.036 187 Y CA -2.628 55.559 58.100 0.145 0.000 1.042 187 Y CB 1.714 40.262 38.460 0.146 0.000 1.289 187 Y HN -0.200 nan 8.280 nan 0.000 0.471 188 P HA -0.206 nan 4.420 nan 0.000 0.216 188 P C 0.737 178.119 177.300 0.136 0.000 1.154 188 P CA 1.913 65.191 63.100 0.296 0.000 0.865 188 P CB 0.383 32.223 31.700 0.233 0.000 0.789 189 E N -0.544 119.755 120.200 0.165 0.000 2.097 189 E HA -0.208 4.145 4.350 0.005 0.000 0.196 189 E C 1.694 178.332 176.600 0.063 0.000 1.000 189 E CA 1.405 57.883 56.400 0.130 0.000 0.804 189 E CB -1.043 28.755 29.700 0.164 0.000 0.740 189 E HN 0.304 nan 8.360 nan 0.000 0.454 190 D N 0.069 120.457 120.400 -0.021 0.000 2.190 190 D HA -0.171 4.472 4.640 0.005 0.000 0.200 190 D C 1.744 177.726 176.300 -0.530 0.000 0.992 190 D CA 0.729 54.511 54.000 -0.363 0.000 0.854 190 D CB -0.205 40.399 40.800 -0.326 0.000 0.936 190 D HN 0.212 nan 8.370 nan 0.000 0.462 191 L N 0.842 121.916 121.223 -0.250 0.000 2.265 191 L HA -0.159 4.184 4.340 0.005 0.000 0.215 191 L C 2.352 179.146 176.870 -0.127 0.000 1.117 191 L CA 1.103 55.844 54.840 -0.166 0.000 0.782 191 L CB -0.426 41.614 42.059 -0.033 0.000 0.914 191 L HN 0.082 nan 8.230 nan 0.000 0.441 192 S N -0.555 115.102 115.700 -0.072 0.000 2.453 192 S HA -0.177 4.296 4.470 0.005 0.000 0.231 192 S C 1.549 176.193 174.600 0.075 0.000 1.005 192 S CA 1.034 59.253 58.200 0.032 0.000 0.949 192 S CB -0.295 62.974 63.200 0.115 0.000 0.774 192 S HN 0.690 nan 8.310 nan 0.000 0.510 193 Y N -0.797 119.495 120.300 -0.014 0.000 2.441 193 Y HA 0.559 5.111 4.550 0.004 0.000 0.266 193 Y C 0.465 176.345 175.900 -0.033 0.000 1.093 193 Y CA -1.122 56.965 58.100 -0.022 0.000 1.246 193 Y CB 0.199 38.649 38.460 -0.015 0.000 1.262 193 Y HN 0.099 nan 8.280 nan 0.000 0.518 194 I N 4.640 124.878 120.570 -0.554 0.000 2.224 194 I HA 0.305 4.477 4.170 0.005 0.000 0.293 194 I C -0.419 175.590 176.117 -0.180 0.000 1.155 194 I CA 0.018 61.125 61.300 -0.322 0.000 1.297 194 I CB -0.249 37.495 38.000 -0.426 0.000 1.487 194 I HN 0.180 nan 8.210 nan 0.000 0.564 195 R N 4.419 124.844 120.500 -0.125 0.000 2.817 195 R HA 0.398 4.741 4.340 0.005 0.000 0.268 195 R C -2.093 174.094 176.300 -0.188 0.000 1.027 195 R CA -1.741 54.259 56.100 -0.167 0.000 0.928 195 R CB 0.665 30.868 30.300 -0.161 0.000 1.228 195 R HN -0.055 nan 8.270 nan 0.000 0.469 196 P HA -0.146 nan 4.420 nan 0.000 0.215 196 P C -0.100 177.105 177.300 -0.159 0.000 1.157 196 P CA 1.349 64.221 63.100 -0.380 0.000 0.874 196 P CB 0.258 31.274 31.700 -1.140 0.000 0.790 197 N N -3.551 115.055 118.700 -0.158 0.000 2.946 197 N HA -0.140 4.603 4.740 0.005 0.000 0.223 197 N C 0.188 175.632 175.510 -0.110 0.000 0.850 197 N CA 1.966 54.957 53.050 -0.098 0.000 1.057 197 N CB -2.314 36.139 38.487 -0.056 0.000 1.020 197 N HN 0.366 nan 8.380 nan 0.000 0.616 198 T N -2.848 111.677 114.554 -0.049 0.000 2.899 198 T HA 0.454 4.807 4.350 0.005 0.000 0.284 198 T C 1.283 175.938 174.700 -0.075 0.000 1.004 198 T CA -0.488 61.587 62.100 -0.042 0.000 1.043 198 T CB 0.879 69.810 68.868 0.106 0.000 1.013 198 T HN 0.097 nan 8.240 nan 0.000 0.518 199 Y N 0.080 120.427 120.300 0.078 0.000 2.145 199 Y HA -0.095 4.458 4.550 0.003 0.000 0.286 199 Y C 2.835 178.775 175.900 0.068 0.000 1.145 199 Y CA 1.844 59.980 58.100 0.060 0.000 1.148 199 Y CB -0.305 38.181 38.460 0.044 0.000 0.981 199 Y HN 0.873 nan 8.280 nan 0.000 0.507 200 E N -0.309 120.036 120.200 0.241 0.000 2.055 200 E HA -0.377 3.976 4.350 0.005 0.000 0.209 200 E C 2.079 178.774 176.600 0.158 0.000 1.036 200 E CA 2.071 58.594 56.400 0.205 0.000 0.849 200 E CB -0.550 29.291 29.700 0.235 0.000 0.767 200 E HN 0.570 nan 8.360 nan 0.000 0.461 201 Y N 0.445 120.737 120.300 -0.013 0.000 2.207 201 Y HA -0.222 4.330 4.550 0.003 0.000 0.287 201 Y C 2.032 177.869 175.900 -0.105 0.000 1.156 201 Y CA 1.717 59.685 58.100 -0.220 0.000 1.182 201 Y CB -0.552 37.583 38.460 -0.542 0.000 0.979 201 Y HN 0.169 nan 8.280 nan 0.000 0.521 202 A N -0.086 122.664 122.820 -0.116 0.000 1.940 202 A HA -0.203 4.120 4.320 0.005 0.000 0.219 202 A C 1.928 179.491 177.584 -0.034 0.000 1.176 202 A CA 2.062 54.030 52.037 -0.115 0.000 0.631 202 A CB -0.746 18.275 19.000 0.036 0.000 0.814 202 A HN 0.522 nan 8.150 nan 0.000 0.446 203 D N -1.917 118.494 120.400 0.018 0.000 2.123 203 D HA -0.108 4.535 4.640 0.005 0.000 0.200 203 D C 1.672 177.986 176.300 0.024 0.000 0.976 203 D CA 1.298 55.336 54.000 0.064 0.000 0.831 203 D CB -0.448 40.397 40.800 0.076 0.000 0.974 203 D HN 0.557 nan 8.370 nan 0.000 0.469 204 Y N 1.865 122.058 120.300 -0.178 0.000 2.097 204 Y HA -0.241 4.311 4.550 0.003 0.000 0.282 204 Y C 2.237 178.004 175.900 -0.221 0.000 1.152 204 Y CA 1.870 59.851 58.100 -0.198 0.000 1.136 204 Y CB -0.583 37.770 38.460 -0.178 0.000 0.975 204 Y HN -0.050 nan 8.280 nan 0.000 0.498 205 A N -0.454 122.127 122.820 -0.398 0.000 1.877 205 A HA -0.260 4.063 4.320 0.005 0.000 0.216 205 A C 2.215 179.826 177.584 0.044 0.000 1.186 205 A CA 1.809 53.640 52.037 -0.342 0.000 0.620 205 A CB -1.736 16.805 19.000 -0.764 0.000 0.822 205 A HN 0.726 nan 8.150 nan 0.000 0.443 206 Y N 0.898 121.271 120.300 0.123 0.000 2.097 206 Y HA -0.234 4.318 4.550 0.004 0.000 0.282 206 Y C 2.203 178.048 175.900 -0.092 0.000 1.152 206 Y CA 2.413 60.597 58.100 0.141 0.000 1.136 206 Y CB -0.364 38.143 38.460 0.079 0.000 0.975 206 Y HN 0.278 nan 8.280 nan 0.000 0.498 207 K N -0.145 120.124 120.400 -0.218 0.000 2.152 207 K HA -0.208 4.115 4.320 0.005 0.000 0.206 207 K C 2.133 178.508 176.600 -0.374 0.000 1.048 207 K CA 1.839 57.846 56.287 -0.466 0.000 0.933 207 K CB -0.190 31.868 32.500 -0.738 0.000 0.721 207 K HN 0.535 nan 8.250 nan 0.000 0.447 208 Q N -0.031 119.580 119.800 -0.316 0.000 2.269 208 Q HA -0.038 4.305 4.340 0.005 0.000 0.201 208 Q C 2.007 177.929 176.000 -0.131 0.000 0.946 208 Q CA 0.754 56.515 55.803 -0.070 0.000 0.877 208 Q CB 0.368 29.067 28.738 -0.064 0.000 0.963 208 Q HN 0.116 nan 8.270 nan 0.000 0.472 209 V N 0.511 120.238 119.914 -0.311 0.000 2.591 209 V HA -0.186 3.936 4.120 0.005 0.000 0.249 209 V C 2.177 178.147 176.094 -0.206 0.000 1.053 209 V CA 0.963 63.095 62.300 -0.280 0.000 1.068 209 V CB -0.259 31.461 31.823 -0.172 0.000 0.689 209 V HN 0.385 nan 8.190 nan 0.000 0.462 210 M N -0.125 119.295 119.600 -0.299 0.000 2.080 210 M HA -0.205 4.278 4.480 0.005 0.000 0.260 210 M C 2.202 178.445 176.300 -0.095 0.000 1.068 210 M CA 1.819 56.934 55.300 -0.308 0.000 1.109 210 M CB -1.058 31.176 32.600 -0.611 0.000 1.342 210 M HN 0.481 nan 8.290 nan 0.000 0.405 211 E N 0.240 120.429 120.200 -0.018 0.000 2.077 211 E HA -0.178 4.175 4.350 0.005 0.000 0.193 211 E C 2.141 178.751 176.600 0.017 0.000 0.989 211 E CA 0.937 57.403 56.400 0.110 0.000 0.800 211 E CB -0.003 29.919 29.700 0.370 0.000 0.746 211 E HN 0.452 nan 8.360 nan 0.000 0.452 212 L N 0.182 121.369 121.223 -0.060 0.000 2.046 212 L HA -0.186 4.157 4.340 0.005 0.000 0.208 212 L C 2.523 179.416 176.870 0.037 0.000 1.077 212 L CA 0.725 55.507 54.840 -0.096 0.000 0.747 212 L CB -0.308 41.635 42.059 -0.193 0.000 0.896 212 L HN 0.102 nan 8.230 nan 0.000 0.432 213 V N -0.322 119.616 119.914 0.040 0.000 2.343 213 V HA -0.289 3.834 4.120 0.005 0.000 0.247 213 V C 2.074 178.246 176.094 0.130 0.000 1.051 213 V CA 1.885 64.271 62.300 0.144 0.000 1.036 213 V CB -0.474 31.471 31.823 0.204 0.000 0.654 213 V HN 0.441 nan 8.190 nan 0.000 0.451 214 D N -0.056 120.394 120.400 0.084 0.000 2.123 214 D HA -0.050 4.593 4.640 0.005 0.000 0.200 214 D C 2.135 178.390 176.300 -0.075 0.000 0.976 214 D CA 1.084 55.116 54.000 0.053 0.000 0.831 214 D CB -0.133 40.709 40.800 0.071 0.000 0.974 214 D HN 0.338 nan 8.370 nan 0.000 0.469 215 L N -0.908 120.172 121.223 -0.238 0.000 2.156 215 L HA -0.112 4.231 4.340 0.005 0.000 0.208 215 L C 1.315 177.763 176.870 -0.703 0.000 1.095 215 L CA 1.057 55.545 54.840 -0.587 0.000 0.770 215 L CB -0.157 41.261 42.059 -1.067 0.000 0.914 215 L HN 0.110 nan 8.230 nan 0.000 0.439 216 Y N -2.772 117.563 120.300 0.058 0.000 2.610 216 Y HA 0.283 4.836 4.550 0.004 0.000 0.254 216 Y C 0.411 176.393 175.900 0.138 0.000 1.110 216 Y CA -1.116 57.038 58.100 0.089 0.000 1.238 216 Y CB 0.478 39.027 38.460 0.147 0.000 1.322 216 Y HN -0.208 nan 8.280 nan 0.000 0.547 217 L N 2.514 123.871 121.223 0.224 0.000 4.035 217 L HA -0.200 4.143 4.340 0.005 0.000 0.490 217 L C -2.694 174.397 176.870 0.367 0.000 1.163 217 L CA -0.559 54.434 54.840 0.254 0.000 0.680 217 L CB -1.153 40.958 42.059 0.087 0.000 1.409 217 L HN -0.018 nan 8.230 nan 0.000 0.786 218 P HA 0.070 nan 4.420 nan 0.000 0.269 218 P C 0.511 178.168 177.300 0.595 0.000 1.217 218 P CA -0.021 63.364 63.100 0.476 0.000 0.783 218 P CB 0.489 32.387 31.700 0.330 0.000 0.898 219 D N -0.462 120.238 120.400 0.501 0.000 2.323 219 D HA 0.044 4.687 4.640 0.005 0.000 0.209 219 D C 0.139 176.831 176.300 0.652 0.000 0.973 219 D CA 1.051 55.386 54.000 0.558 0.000 0.874 219 D CB 0.324 41.270 40.800 0.243 0.000 0.930 219 D HN 0.078 nan 8.370 nan 0.000 0.521 220 V N 1.238 121.471 119.914 0.532 0.000 2.808 220 V HA 0.319 4.442 4.120 0.005 0.000 0.308 220 V C -0.481 175.832 176.094 0.364 0.000 1.099 220 V CA -0.775 61.825 62.300 0.499 0.000 0.920 220 V CB 2.920 35.083 31.823 0.566 0.000 1.014 220 V HN -0.121 nan 8.190 nan 0.000 0.425 221 L N 3.281 124.677 121.223 0.288 0.000 2.295 221 L HA 0.441 4.784 4.340 0.005 0.000 0.281 221 L C -1.273 175.835 176.870 0.397 0.000 1.018 221 L CA -0.070 54.917 54.840 0.245 0.000 0.841 221 L CB 1.406 43.478 42.059 0.022 0.000 1.218 221 L HN 0.761 nan 8.230 nan 0.000 0.424 222 W N 4.914 126.317 121.300 0.171 0.000 2.298 222 W HA 0.294 4.956 4.660 0.004 0.000 0.327 222 W C 0.321 176.728 176.519 -0.187 0.000 0.988 222 W CA -0.290 57.105 57.345 0.083 0.000 1.448 222 W CB 1.089 30.691 29.460 0.237 0.000 1.243 222 W HN 0.434 nan 8.180 nan 0.000 0.388 223 N N 3.065 121.499 118.700 -0.444 0.000 2.493 223 N HA 0.184 4.927 4.740 0.005 0.000 0.275 223 N C -1.068 174.155 175.510 -0.478 0.000 1.186 223 N CA 0.249 52.900 53.050 -0.666 0.000 0.978 223 N CB 1.015 38.511 38.487 -1.652 0.000 1.184 223 N HN 0.280 nan 8.380 nan 0.000 0.487 224 D N 1.380 121.571 120.400 -0.349 0.000 2.490 224 D HA 0.351 4.994 4.640 0.005 0.000 0.232 224 D C -0.021 176.226 176.300 -0.088 0.000 1.053 224 D CA -0.140 53.792 54.000 -0.113 0.000 0.914 224 D CB 0.957 41.824 40.800 0.112 0.000 1.431 224 D HN 0.541 nan 8.370 nan 0.000 0.483 225 M N 0.886 120.486 119.600 -0.001 0.000 2.682 225 M HA -0.158 4.325 4.480 0.005 0.000 0.196 225 M C 0.523 176.805 176.300 -0.030 0.000 0.542 225 M CA 1.213 56.508 55.300 -0.008 0.000 0.593 225 M CB -2.291 30.265 32.600 -0.073 0.000 2.183 225 M HN 0.826 nan 8.290 nan 0.000 0.663 226 G N -0.360 108.422 108.800 -0.030 0.000 2.814 226 G HA2 -0.208 3.755 3.960 0.005 0.000 0.677 226 G HA3 -0.208 3.755 3.960 0.005 0.000 0.677 226 G C -0.760 174.224 174.900 0.139 0.000 1.429 226 G CA -0.112 45.020 45.100 0.053 0.000 0.868 226 G HN 0.663 nan 8.290 nan 0.000 0.553 227 W N 2.209 123.560 121.300 0.085 0.000 2.520 227 W HA 0.550 5.213 4.660 0.005 0.000 0.323 227 W C -1.882 174.719 176.519 0.138 0.000 1.062 227 W CA -1.941 55.502 57.345 0.164 0.000 1.215 227 W CB 1.972 31.614 29.460 0.303 0.000 1.340 227 W HN 0.598 nan 8.180 nan 0.000 0.516 228 P HA -0.123 nan 4.420 nan 0.000 0.260 228 P C 0.499 177.859 177.300 0.100 0.000 1.185 228 P CA 0.786 63.822 63.100 -0.107 0.000 0.763 228 P CB 0.941 32.547 31.700 -0.156 0.000 0.776 229 E N 3.973 124.229 120.200 0.093 0.000 2.086 229 E HA -0.247 4.106 4.350 0.005 0.000 0.205 229 E C 1.623 178.299 176.600 0.127 0.000 1.027 229 E CA 1.957 58.428 56.400 0.118 0.000 0.830 229 E CB -0.410 29.326 29.700 0.060 0.000 0.751 229 E HN 0.450 nan 8.360 nan 0.000 0.456 230 K N -1.507 118.927 120.400 0.056 0.000 2.281 230 K HA -0.085 4.238 4.320 0.005 0.000 0.203 230 K C 1.721 178.408 176.600 0.146 0.000 1.046 230 K CA 1.082 57.402 56.287 0.055 0.000 0.938 230 K CB -0.139 32.293 32.500 -0.113 0.000 0.737 230 K HN 0.235 nan 8.250 nan 0.000 0.458 231 G N 0.230 109.166 108.800 0.227 0.000 3.126 231 G HA2 -0.036 3.926 3.960 0.005 0.000 0.224 231 G HA3 -0.036 3.926 3.960 0.005 0.000 0.224 231 G C 0.843 176.022 174.900 0.465 0.000 1.142 231 G CA -0.283 45.047 45.100 0.383 0.000 0.759 231 G HN 0.105 nan 8.290 nan 0.000 0.550 232 K N 0.667 121.311 120.400 0.407 0.000 2.074 232 K HA -0.100 4.223 4.320 0.005 0.000 0.209 232 K C 2.046 178.752 176.600 0.177 0.000 1.048 232 K CA 1.081 57.546 56.287 0.297 0.000 0.926 232 K CB 0.027 32.686 32.500 0.265 0.000 0.713 232 K HN 0.126 nan 8.250 nan 0.000 0.444 233 E N 1.096 121.401 120.200 0.175 0.000 2.204 233 E HA -0.165 4.188 4.350 0.005 0.000 0.195 233 E C 1.411 178.040 176.600 0.049 0.000 0.990 233 E CA 0.984 57.467 56.400 0.139 0.000 0.821 233 E CB -0.141 29.635 29.700 0.127 0.000 0.750 233 E HN 0.309 nan 8.360 nan 0.000 0.477 234 D N 0.550 120.946 120.400 -0.008 0.000 2.218 234 D HA -0.122 4.521 4.640 0.005 0.000 0.204 234 D C 2.035 178.224 176.300 -0.185 0.000 0.976 234 D CA 0.389 54.329 54.000 -0.100 0.000 0.853 234 D CB -0.221 40.428 40.800 -0.251 0.000 0.939 234 D HN 0.231 nan 8.370 nan 0.000 0.481 235 L N 0.629 121.608 121.223 -0.406 0.000 2.191 235 L HA -0.158 4.185 4.340 0.005 0.000 0.212 235 L C 2.251 178.534 176.870 -0.978 0.000 1.103 235 L CA 1.029 55.331 54.840 -0.897 0.000 0.769 235 L CB -0.316 41.102 42.059 -1.068 0.000 0.908 235 L HN 0.049 nan 8.230 nan 0.000 0.438 236 K N -0.432 119.480 120.400 -0.812 0.000 2.057 236 K HA -0.182 4.141 4.320 0.005 0.000 0.207 236 K C 2.049 178.184 176.600 -0.774 0.000 1.049 236 K CA 1.516 57.155 56.287 -1.081 0.000 0.931 236 K CB -0.313 31.376 32.500 -1.352 0.000 0.714 236 K HN 0.244 nan 8.250 nan 0.000 0.440 237 Y N 1.257 121.325 120.300 -0.387 0.000 2.220 237 Y HA -0.108 4.446 4.550 0.006 0.000 0.291 237 Y C 2.316 178.142 175.900 -0.123 0.000 1.129 237 Y CA 0.730 58.708 58.100 -0.203 0.000 1.161 237 Y CB -0.389 37.974 38.460 -0.162 0.000 0.997 237 Y HN -0.014 nan 8.280 nan 0.000 0.522 238 L N -0.967 120.220 121.223 -0.060 0.000 2.056 238 L HA -0.215 4.128 4.340 0.005 0.000 0.207 238 L C 2.100 178.942 176.870 -0.048 0.000 1.078 238 L CA 1.521 56.315 54.840 -0.076 0.000 0.749 238 L CB -0.427 41.496 42.059 -0.227 0.000 0.901 238 L HN 0.256 nan 8.230 nan 0.000 0.433 239 F N -0.182 119.550 119.950 -0.363 0.000 2.134 239 F HA -0.252 4.278 4.527 0.005 0.000 0.299 239 F C 2.682 178.190 175.800 -0.486 0.000 1.097 239 F CA 0.434 58.096 58.000 -0.563 0.000 1.264 239 F CB -0.371 38.286 39.000 -0.570 0.000 1.001 239 F HN 0.242 nan 8.300 nan 0.000 0.479 240 A N -0.245 122.524 122.820 -0.084 0.000 1.902 240 A HA -0.279 4.044 4.320 0.005 0.000 0.217 240 A C 1.888 179.529 177.584 0.095 0.000 1.181 240 A CA 1.544 53.584 52.037 0.006 0.000 0.623 240 A CB -1.384 17.599 19.000 -0.027 0.000 0.818 240 A HN 0.510 nan 8.150 nan 0.000 0.443 241 Y N -1.232 119.064 120.300 -0.007 0.000 2.089 241 Y HA -0.302 4.251 4.550 0.006 0.000 0.282 241 Y C 2.279 178.212 175.900 0.055 0.000 1.139 241 Y CA 2.162 60.285 58.100 0.039 0.000 1.123 241 Y CB -0.786 37.700 38.460 0.043 0.000 0.980 241 Y HN 0.451 nan 8.280 nan 0.000 0.493 242 Y N -0.764 119.552 120.300 0.026 0.000 2.081 242 Y HA -0.405 4.148 4.550 0.005 0.000 0.280 242 Y C 2.113 177.950 175.900 -0.105 0.000 1.163 242 Y CA 2.130 60.175 58.100 -0.093 0.000 1.135 242 Y CB -0.781 37.553 38.460 -0.211 0.000 0.970 242 Y HN 0.179 nan 8.280 nan 0.000 0.498 243 Y N 0.573 120.693 120.300 -0.300 0.000 2.333 243 Y HA -0.207 4.347 4.550 0.006 0.000 0.290 243 Y C 2.267 178.077 175.900 -0.149 0.000 1.144 243 Y CA 1.097 58.916 58.100 -0.468 0.000 1.228 243 Y CB -0.877 37.088 38.460 -0.824 0.000 0.985 243 Y HN 0.309 nan 8.280 nan 0.000 0.542 244 N N -0.032 118.722 118.700 0.090 0.000 2.354 244 N HA -0.087 4.656 4.740 0.005 0.000 0.179 244 N C 1.527 177.035 175.510 -0.004 0.000 1.021 244 N CA 0.901 54.012 53.050 0.101 0.000 0.887 244 N CB -0.030 38.498 38.487 0.069 0.000 0.974 244 N HN 0.409 nan 8.380 nan 0.000 0.437 245 K N -0.804 119.539 120.400 -0.094 0.000 2.166 245 K HA -0.015 4.308 4.320 0.005 0.000 0.201 245 K C 0.172 176.788 176.600 0.027 0.000 1.052 245 K CA 0.607 56.842 56.287 -0.088 0.000 0.969 245 K CB 0.200 32.599 32.500 -0.168 0.000 0.761 245 K HN 0.076 nan 8.250 nan 0.000 0.459 246 H N 0.406 119.376 119.070 -0.167 0.000 2.488 246 H HA 0.219 4.778 4.556 0.005 0.000 0.237 246 H C -2.503 172.761 175.328 -0.106 0.000 1.395 246 H CA -2.840 53.120 56.048 -0.146 0.000 1.491 246 H CB 0.894 30.543 29.762 -0.189 0.000 1.567 246 H HN -0.124 nan 8.280 nan 0.000 0.508 247 P HA -0.186 nan 4.420 nan 0.000 0.216 247 P C 1.006 178.301 177.300 -0.008 0.000 1.154 247 P CA 1.230 64.373 63.100 0.072 0.000 0.865 247 P CB 0.525 32.320 31.700 0.158 0.000 0.789 248 E N -0.457 119.667 120.200 -0.126 0.000 2.512 248 E HA 0.095 4.448 4.350 0.005 0.000 0.195 248 E C 1.332 177.870 176.600 -0.104 0.000 1.083 248 E CA 0.208 56.599 56.400 -0.015 0.000 0.873 248 E CB -0.673 29.164 29.700 0.228 0.000 0.897 248 E HN 0.219 nan 8.360 nan 0.000 0.514 249 G N 1.006 109.438 108.800 -0.613 0.000 2.653 249 G HA2 0.293 4.256 3.960 0.005 0.000 0.265 249 G HA3 0.293 4.256 3.960 0.005 0.000 0.265 249 G C -0.097 174.963 174.900 0.266 0.000 1.237 249 G CA 0.068 45.053 45.100 -0.191 0.000 0.946 249 G HN 0.196 nan 8.290 nan 0.000 0.522 250 S N -2.446 113.538 115.700 0.472 0.000 2.547 250 S HA 0.641 5.114 4.470 0.005 0.000 0.270 250 S C -0.877 173.901 174.600 0.297 0.000 1.150 250 S CA -0.235 58.183 58.200 0.364 0.000 0.850 250 S CB 1.494 64.780 63.200 0.142 0.000 1.118 250 S HN 1.832 nan 8.310 nan 0.000 0.461 251 V N 0.012 119.946 119.914 0.034 0.000 2.876 251 V HA 0.797 4.920 4.120 0.005 0.000 0.312 251 V C -0.253 175.566 176.094 -0.458 0.000 1.085 251 V CA -0.936 61.287 62.300 -0.129 0.000 0.945 251 V CB 1.505 32.993 31.823 -0.558 0.000 1.017 251 V HN 1.160 nan 8.190 nan 0.000 0.428 252 N N 2.188 120.608 118.700 -0.467 0.000 2.443 252 N HA 0.236 4.979 4.740 0.005 0.000 0.294 252 N C 0.167 175.451 175.510 -0.377 0.000 1.289 252 N CA 0.244 52.679 53.050 -1.026 0.000 0.966 252 N CB 0.247 38.021 38.487 -1.188 0.000 1.122 252 N HN 0.889 nan 8.380 nan 0.000 0.569 253 D N -2.241 117.854 120.400 -0.508 0.000 2.463 253 D HA 0.085 4.728 4.640 0.005 0.000 0.224 253 D C -0.150 175.993 176.300 -0.262 0.000 1.174 253 D CA -0.170 53.628 54.000 -0.336 0.000 0.829 253 D CB -0.279 40.084 40.800 -0.729 0.000 0.993 253 D HN 0.479 nan 8.370 nan 0.000 0.497 254 R N 0.085 120.355 120.500 -0.384 0.000 2.935 254 R HA 0.234 4.577 4.340 0.005 0.000 0.354 254 R C -0.197 175.931 176.300 -0.287 0.000 1.206 254 R CA -0.313 55.572 56.100 -0.359 0.000 1.082 254 R CB -0.154 29.859 30.300 -0.479 0.000 1.431 254 R HN 0.179 nan 8.270 nan 0.000 0.582 255 W N -0.446 120.873 121.300 0.030 0.000 2.993 255 W HA 0.252 4.914 4.660 0.004 0.000 0.290 255 W C 1.335 177.943 176.519 0.148 0.000 1.203 255 W CA 0.347 57.790 57.345 0.164 0.000 1.582 255 W CB 0.569 30.138 29.460 0.181 0.000 1.033 255 W HN 0.350 nan 8.180 nan 0.000 0.594 256 G N 1.347 110.303 108.800 0.260 0.000 2.176 256 G HA2 -0.151 3.812 3.960 0.005 0.000 0.252 256 G HA3 -0.151 3.812 3.960 0.005 0.000 0.252 256 G C -0.145 174.812 174.900 0.096 0.000 1.024 256 G CA 0.284 45.474 45.100 0.149 0.000 0.755 256 G HN 0.488 nan 8.290 nan 0.000 0.507 257 V N -4.769 115.185 119.914 0.067 0.000 3.155 257 V HA 0.879 5.002 4.120 0.005 0.000 0.313 257 V C -0.671 175.239 176.094 -0.307 0.000 1.162 257 V CA -1.273 60.901 62.300 -0.210 0.000 1.048 257 V CB 1.141 32.759 31.823 -0.343 0.000 1.092 257 V HN -0.053 nan 8.190 nan 0.000 0.447 258 P HA -0.090 nan 4.420 nan 0.000 0.216 258 P C 0.263 177.425 177.300 -0.230 0.000 1.153 258 P CA 1.560 64.366 63.100 -0.490 0.000 0.858 258 P CB -0.162 31.066 31.700 -0.787 0.000 0.789 259 H N -0.295 118.615 119.070 -0.266 0.000 2.511 259 H HA 0.364 4.923 4.556 0.005 0.000 0.346 259 H C -0.571 174.756 175.328 -0.001 0.000 1.128 259 H CA -0.457 55.547 56.048 -0.073 0.000 1.342 259 H CB 0.331 30.258 29.762 0.276 0.000 1.470 259 H HN 0.095 nan 8.280 nan 0.000 0.546 260 W N 4.175 124.905 121.300 -0.950 0.000 3.499 260 W HA 0.212 4.874 4.660 0.004 0.000 0.288 260 W C -1.325 174.776 176.519 -0.697 0.000 1.258 260 W CA -0.639 56.280 57.345 -0.710 0.000 1.203 260 W CB 0.698 29.929 29.460 -0.381 0.000 1.325 260 W HN 0.471 nan 8.180 nan 0.000 0.564 261 D N 1.575 121.829 120.400 -0.243 0.000 2.355 261 D HA 0.103 4.746 4.640 0.005 0.000 0.206 261 D C 0.116 176.601 176.300 0.307 0.000 1.010 261 D CA 1.159 55.124 54.000 -0.058 0.000 0.875 261 D CB 0.781 41.609 40.800 0.046 0.000 0.966 261 D HN 0.255 nan 8.370 nan 0.000 0.512 262 F N -0.803 119.356 119.950 0.348 0.000 2.665 262 F HA 0.486 5.016 4.527 0.005 0.000 0.308 262 F C -0.760 175.087 175.800 0.078 0.000 1.112 262 F CA -1.420 56.763 58.000 0.304 0.000 0.972 262 F CB 1.057 40.136 39.000 0.132 0.000 1.295 262 F HN -0.506 nan 8.300 nan 0.000 0.440 263 K N 0.773 121.257 120.400 0.140 0.000 2.109 263 K HA 0.746 5.069 4.320 0.005 0.000 0.243 263 K C -0.475 176.270 176.600 0.242 0.000 1.006 263 K CA -0.657 55.514 56.287 -0.193 0.000 0.917 263 K CB 1.743 33.933 32.500 -0.516 0.000 1.081 263 K HN 0.889 nan 8.250 nan 0.000 0.468 264 T N -2.456 112.153 114.554 0.092 0.000 2.907 264 T HA 0.766 5.119 4.350 0.005 0.000 0.292 264 T C -1.022 173.873 174.700 0.325 0.000 1.043 264 T CA -1.040 61.244 62.100 0.308 0.000 1.003 264 T CB 1.862 70.839 68.868 0.181 0.000 1.084 264 T HN 0.582 nan 8.240 nan 0.000 0.483 265 A N 1.162 124.291 122.820 0.515 0.000 2.449 265 A HA 0.777 5.100 4.320 0.005 0.000 0.302 265 A C -0.837 177.125 177.584 0.630 0.000 1.048 265 A CA -0.797 51.539 52.037 0.497 0.000 0.708 265 A CB 1.637 20.921 19.000 0.473 0.000 1.274 265 A HN 0.939 nan 8.150 nan 0.000 0.410 266 E N 1.685 122.213 120.200 0.548 0.000 2.216 266 E HA 0.549 4.902 4.350 0.005 0.000 0.260 266 E C -0.720 176.253 176.600 0.622 0.000 0.880 266 E CA -0.460 56.272 56.400 0.554 0.000 0.765 266 E CB 0.636 30.661 29.700 0.541 0.000 1.174 266 E HN 0.637 nan 8.360 nan 0.000 0.417 267 Y N 0.934 121.537 120.300 0.506 0.000 2.845 267 Y HA -0.510 4.042 4.550 0.005 0.000 0.468 267 Y C 1.764 177.808 175.900 0.240 0.000 1.163 267 Y CA 1.880 60.196 58.100 0.360 0.000 2.636 267 Y CB -1.004 37.590 38.460 0.225 0.000 1.194 267 Y HN 0.745 nan 8.280 nan 0.000 0.626 268 H N -0.532 118.805 119.070 0.444 0.000 2.457 268 H HA 0.056 4.615 4.556 0.005 0.000 0.294 268 H C 0.495 175.967 175.328 0.241 0.000 1.064 268 H CA 1.215 57.413 56.048 0.250 0.000 1.330 268 H CB -0.464 29.380 29.762 0.137 0.000 1.395 268 H HN 0.074 nan 8.280 nan 0.000 0.541 269 V N 4.020 124.136 119.914 0.337 0.000 2.434 269 V HA -0.104 4.019 4.120 0.005 0.000 0.281 269 V C 0.453 176.684 176.094 0.229 0.000 1.005 269 V CA 0.229 62.670 62.300 0.236 0.000 1.089 269 V CB -0.319 31.625 31.823 0.201 0.000 0.978 269 V HN 0.614 nan 8.190 nan 0.000 0.474 270 N N 2.713 121.498 118.700 0.142 0.000 2.776 270 N HA -0.243 4.500 4.740 0.005 0.000 0.250 270 N C -0.402 175.100 175.510 -0.013 0.000 1.112 270 N CA 0.694 53.779 53.050 0.058 0.000 0.733 270 N CB -1.346 37.167 38.487 0.043 0.000 1.097 270 N HN 0.778 nan 8.380 nan 0.000 0.558 271 Y N 3.052 123.320 120.300 -0.054 0.000 2.436 271 Y HA 0.259 4.812 4.550 0.005 0.000 0.343 271 Y C -1.441 174.296 175.900 -0.272 0.000 1.008 271 Y CA -1.380 56.609 58.100 -0.185 0.000 1.241 271 Y CB 0.723 39.098 38.460 -0.142 0.000 1.153 271 Y HN 0.033 nan 8.280 nan 0.000 0.521 272 P HA 0.084 nan 4.420 nan 0.000 0.271 272 P C 0.343 177.546 177.300 -0.161 0.000 1.216 272 P CA 0.123 62.924 63.100 -0.499 0.000 0.771 272 P CB 1.567 32.752 31.700 -0.858 0.000 0.864 273 G N 1.688 110.448 108.800 -0.067 0.000 2.453 273 G HA2 -0.058 3.905 3.960 0.005 0.000 0.215 273 G HA3 -0.058 3.905 3.960 0.005 0.000 0.215 273 G C 0.407 175.304 174.900 -0.005 0.000 1.147 273 G CA 0.512 45.619 45.100 0.011 0.000 0.802 273 G HN 0.588 nan 8.290 nan 0.000 0.535 274 D N -1.682 118.684 120.400 -0.057 0.000 2.867 274 D HA 0.332 4.975 4.640 0.005 0.000 0.308 274 D C -0.240 176.013 176.300 -0.080 0.000 1.202 274 D CA -0.865 53.111 54.000 -0.040 0.000 1.035 274 D CB 0.356 41.136 40.800 -0.033 0.000 1.427 274 D HN -0.111 nan 8.370 nan 0.000 0.570 275 L N 1.844 123.037 121.223 -0.050 0.000 2.540 275 L HA 0.171 4.514 4.340 0.005 0.000 0.276 275 L C -1.054 175.716 176.870 -0.165 0.000 1.212 275 L CA -0.623 54.180 54.840 -0.062 0.000 0.893 275 L CB 0.303 42.342 42.059 -0.034 0.000 1.138 275 L HN 0.411 nan 8.230 nan 0.000 0.491 276 P HA 0.095 nan 4.420 nan 0.000 0.245 276 P C 0.911 177.873 177.300 -0.563 0.000 1.199 276 P CA 0.960 63.726 63.100 -0.557 0.000 0.807 276 P CB 0.922 32.010 31.700 -1.021 0.000 1.002 277 G N -0.319 108.272 108.800 -0.348 0.000 2.176 277 G HA2 -0.199 3.764 3.960 0.005 0.000 0.232 277 G HA3 -0.199 3.764 3.960 0.005 0.000 0.232 277 G C -0.124 174.787 174.900 0.019 0.000 0.986 277 G CA 0.194 45.219 45.100 -0.124 0.000 0.643 277 G HN 0.534 nan 8.290 nan 0.000 0.522 278 Y N -1.877 118.532 120.300 0.183 0.000 2.597 278 Y HA 0.848 5.401 4.550 0.005 0.000 0.340 278 Y C -0.272 175.845 175.900 0.362 0.000 1.097 278 Y CA -2.440 55.823 58.100 0.272 0.000 1.037 278 Y CB 0.625 39.300 38.460 0.359 0.000 1.305 278 Y HN 0.071 nan 8.280 nan 0.000 0.463 279 K N 3.315 124.076 120.400 0.601 0.000 2.368 279 K HA 0.293 4.616 4.320 0.005 0.000 0.282 279 K C -0.992 176.070 176.600 0.770 0.000 1.035 279 K CA -0.364 56.247 56.287 0.540 0.000 0.973 279 K CB 0.090 32.839 32.500 0.414 0.000 0.957 279 K HN 0.810 nan 8.250 nan 0.000 0.474 280 W N 2.179 123.711 121.300 0.386 0.000 3.039 280 W HA 0.620 5.283 4.660 0.005 0.000 0.354 280 W C -1.309 175.402 176.519 0.321 0.000 1.206 280 W CA -0.820 56.760 57.345 0.393 0.000 1.134 280 W CB 0.683 30.333 29.460 0.317 0.000 1.493 280 W HN 0.603 nan 8.180 nan 0.000 0.591 281 E N 1.004 121.484 120.200 0.468 0.000 2.321 281 E HA 0.399 4.752 4.350 0.005 0.000 0.278 281 E C -2.301 174.597 176.600 0.497 0.000 0.902 281 E CA -0.627 55.890 56.400 0.196 0.000 0.758 281 E CB 2.827 32.715 29.700 0.314 0.000 1.213 281 E HN 0.278 nan 8.360 nan 0.000 0.426 282 F N 2.945 122.970 119.950 0.124 0.000 2.408 282 F HA 0.541 5.071 4.527 0.005 0.000 0.344 282 F C -0.488 175.469 175.800 0.262 0.000 1.112 282 F CA -0.117 58.075 58.000 0.321 0.000 1.096 282 F CB 1.758 40.938 39.000 0.301 0.000 1.129 282 F HN 0.315 nan 8.300 nan 0.000 0.486 283 T N 6.273 120.679 114.554 -0.246 0.000 2.906 283 T HA 0.852 5.205 4.350 0.005 0.000 0.295 283 T C -1.262 173.095 174.700 -0.571 0.000 1.061 283 T CA -0.596 61.373 62.100 -0.218 0.000 1.000 283 T CB 1.151 70.211 68.868 0.321 0.000 1.103 283 T HN 1.001 nan 8.240 nan 0.000 0.486 284 R N 0.784 120.999 120.500 -0.475 0.000 3.033 284 R HA 0.568 4.911 4.340 0.005 0.000 0.284 284 R C -0.399 175.402 176.300 -0.832 0.000 0.997 284 R CA -1.094 54.416 56.100 -0.983 0.000 0.851 284 R CB -0.033 29.400 30.300 -1.446 0.000 1.297 284 R HN 0.829 nan 8.270 nan 0.000 0.518 285 G N 0.379 108.608 108.800 -0.951 0.000 2.580 285 G HA2 0.396 4.359 3.960 0.005 0.000 0.278 285 G HA3 0.396 4.359 3.960 0.005 0.000 0.278 285 G C 0.557 175.276 174.900 -0.302 0.000 1.212 285 G CA -0.980 43.747 45.100 -0.622 0.000 0.939 285 G HN 0.530 nan 8.290 nan 0.000 0.513 286 I N 0.293 120.748 120.570 -0.192 0.000 2.617 286 I HA 0.075 4.248 4.170 0.005 0.000 0.256 286 I C 1.909 177.985 176.117 -0.067 0.000 1.167 286 I CA 1.019 62.252 61.300 -0.110 0.000 1.469 286 I CB -0.095 37.861 38.000 -0.073 0.000 1.098 286 I HN 0.515 nan 8.210 nan 0.000 0.436 287 G N -0.183 108.575 108.800 -0.069 0.000 3.039 287 G HA2 0.429 4.392 3.960 0.005 0.000 0.159 287 G HA3 0.429 4.392 3.960 0.005 0.000 0.159 287 G C 0.349 175.266 174.900 0.028 0.000 1.284 287 G CA -0.499 44.593 45.100 -0.014 0.000 0.996 287 G HN 0.043 nan 8.290 nan 0.000 0.592 288 L N 0.205 121.419 121.223 -0.014 0.000 2.592 288 L HA 0.288 4.631 4.340 0.005 0.000 0.227 288 L C 1.127 177.969 176.870 -0.047 0.000 1.127 288 L CA 0.233 55.053 54.840 -0.033 0.000 0.884 288 L CB 0.374 42.370 42.059 -0.106 0.000 1.065 288 L HN 0.295 nan 8.230 nan 0.000 0.457 289 S N -1.784 113.836 115.700 -0.133 0.000 2.638 289 S HA 0.527 5.000 4.470 0.005 0.000 0.302 289 S C 0.251 174.593 174.600 -0.430 0.000 1.096 289 S CA -0.580 57.520 58.200 -0.167 0.000 0.953 289 S CB 1.289 64.414 63.200 -0.124 0.000 1.107 289 S HN 0.050 nan 8.310 nan 0.000 0.503 290 F N 1.557 121.241 119.950 -0.443 0.000 2.315 290 F HA 0.340 4.870 4.527 0.005 0.000 0.284 290 F C 1.893 177.507 175.800 -0.309 0.000 1.049 290 F CA 0.496 58.139 58.000 -0.594 0.000 1.323 290 F CB -0.662 37.548 39.000 -1.318 0.000 1.113 290 F HN 0.680 nan 8.300 nan 0.000 0.544 291 G N -0.851 107.920 108.800 -0.049 0.000 2.483 291 G HA2 0.063 4.026 3.960 0.005 0.000 0.248 291 G HA3 0.063 4.026 3.960 0.005 0.000 0.248 291 G C -1.146 173.828 174.900 0.122 0.000 1.248 291 G CA -0.320 44.848 45.100 0.113 0.000 0.838 291 G HN 0.177 nan 8.290 nan 0.000 0.566 292 Y N 1.812 122.164 120.300 0.086 0.000 2.810 292 Y HA 0.095 4.648 4.550 0.004 0.000 0.332 292 Y C 0.084 175.989 175.900 0.007 0.000 1.243 292 Y CA -0.212 57.904 58.100 0.026 0.000 1.537 292 Y CB 0.520 39.010 38.460 0.049 0.000 1.265 292 Y HN 0.444 nan 8.280 nan 0.000 0.572 293 N N 5.547 123.874 118.700 -0.621 0.000 2.531 293 N HA 0.195 4.938 4.740 0.005 0.000 0.268 293 N C 0.497 175.507 175.510 -0.834 0.000 1.023 293 N CA -0.733 51.899 53.050 -0.696 0.000 0.896 293 N CB 0.726 38.950 38.487 -0.439 0.000 1.233 293 N HN 0.793 nan 8.380 nan 0.000 0.512 294 R N 2.300 122.236 120.500 -0.940 0.000 2.159 294 R HA -0.050 4.293 4.340 0.005 0.000 0.237 294 R C 0.140 176.288 176.300 -0.254 0.000 1.131 294 R CA 0.968 56.800 56.100 -0.446 0.000 0.982 294 R CB -0.205 30.007 30.300 -0.146 0.000 0.868 294 R HN 0.302 nan 8.270 nan 0.000 0.453 295 N N 1.191 119.658 118.700 -0.389 0.000 2.459 295 N HA -0.045 4.698 4.740 0.005 0.000 0.181 295 N C -0.239 175.101 175.510 -0.284 0.000 1.046 295 N CA 0.677 53.517 53.050 -0.350 0.000 0.904 295 N CB 0.054 38.182 38.487 -0.599 0.000 0.964 295 N HN 0.468 nan 8.380 nan 0.000 0.444 296 E N 0.081 120.105 120.200 -0.294 0.000 2.290 296 E HA 0.380 4.733 4.350 0.005 0.000 0.277 296 E C 0.442 177.103 176.600 0.102 0.000 1.035 296 E CA -0.345 55.968 56.400 -0.145 0.000 0.873 296 E CB 0.978 30.580 29.700 -0.164 0.000 1.029 296 E HN 0.174 nan 8.360 nan 0.000 0.419 297 G N 2.822 111.829 108.800 0.346 0.000 2.820 297 G HA2 0.256 4.218 3.960 0.005 0.000 0.291 297 G HA3 0.256 4.218 3.960 0.005 0.000 0.291 297 G C -1.794 173.146 174.900 0.066 0.000 1.323 297 G CA -1.132 44.044 45.100 0.126 0.000 1.055 297 G HN 0.300 nan 8.290 nan 0.000 0.520 298 P HA -0.134 nan 4.420 nan 0.000 0.217 298 P C 0.984 178.227 177.300 -0.095 0.000 1.148 298 P CA 1.351 64.429 63.100 -0.037 0.000 0.828 298 P CB 0.217 31.894 31.700 -0.038 0.000 0.783 299 E N -0.217 119.860 120.200 -0.205 0.000 2.187 299 E HA -0.215 4.138 4.350 0.005 0.000 0.199 299 E C 1.561 177.978 176.600 -0.306 0.000 1.004 299 E CA 1.507 57.720 56.400 -0.311 0.000 0.813 299 E CB -1.498 27.893 29.700 -0.515 0.000 0.736 299 E HN 0.621 nan 8.360 nan 0.000 0.468 300 H N -1.300 117.743 119.070 -0.045 0.000 2.539 300 H HA 0.299 4.858 4.556 0.005 0.000 0.269 300 H C 0.350 175.657 175.328 -0.035 0.000 0.980 300 H CA -0.088 55.932 56.048 -0.046 0.000 1.152 300 H CB 0.122 29.840 29.762 -0.073 0.000 1.407 300 H HN 0.065 nan 8.280 nan 0.000 0.564 301 M N 0.566 120.195 119.600 0.048 0.000 2.706 301 M HA 0.328 4.811 4.480 0.005 0.000 0.304 301 M C -0.467 175.823 176.300 -0.016 0.000 1.217 301 M CA -0.824 54.485 55.300 0.015 0.000 0.922 301 M CB 2.147 34.747 32.600 0.001 0.000 1.637 301 M HN -0.005 nan 8.290 nan 0.000 0.492 302 L N 0.774 121.978 121.223 -0.032 0.000 2.418 302 L HA 0.328 4.671 4.340 0.005 0.000 0.265 302 L C 0.485 177.304 176.870 -0.084 0.000 1.143 302 L CA -0.416 54.387 54.840 -0.060 0.000 0.809 302 L CB 1.299 43.314 42.059 -0.074 0.000 1.124 302 L HN 0.824 nan 8.230 nan 0.000 0.456 303 S N 0.352 115.982 115.700 -0.116 0.000 2.672 303 S HA 0.245 4.718 4.470 0.005 0.000 0.276 303 S C 1.007 175.501 174.600 -0.177 0.000 1.207 303 S CA -0.965 57.156 58.200 -0.132 0.000 1.002 303 S CB 1.700 64.814 63.200 -0.144 0.000 0.998 303 S HN 0.320 nan 8.310 nan 0.000 0.542 304 V N 1.699 121.518 119.914 -0.160 0.000 2.380 304 V HA -0.205 3.918 4.120 0.005 0.000 0.251 304 V C 2.491 178.398 176.094 -0.313 0.000 1.063 304 V CA 2.453 64.642 62.300 -0.184 0.000 1.055 304 V CB -1.336 30.417 31.823 -0.117 0.000 0.657 304 V HN 0.875 nan 8.190 nan 0.000 0.455 305 E N -0.074 119.903 120.200 -0.371 0.000 2.051 305 E HA -0.228 4.125 4.350 0.005 0.000 0.192 305 E C 2.239 178.283 176.600 -0.926 0.000 0.991 305 E CA 1.299 57.304 56.400 -0.659 0.000 0.799 305 E CB -0.406 28.919 29.700 -0.624 0.000 0.748 305 E HN 0.656 nan 8.360 nan 0.000 0.449 306 Q N 0.066 119.511 119.800 -0.591 0.000 2.124 306 Q HA -0.101 4.242 4.340 0.005 0.000 0.202 306 Q C 2.304 178.135 176.000 -0.283 0.000 0.977 306 Q CA 0.914 56.479 55.803 -0.397 0.000 0.850 306 Q CB -0.180 28.432 28.738 -0.210 0.000 0.901 306 Q HN 0.289 nan 8.270 nan 0.000 0.429 307 L N -0.140 120.910 121.223 -0.288 0.000 2.046 307 L HA -0.193 4.150 4.340 0.005 0.000 0.208 307 L C 2.310 178.976 176.870 -0.340 0.000 1.077 307 L CA 0.790 55.479 54.840 -0.252 0.000 0.747 307 L CB -0.263 41.654 42.059 -0.238 0.000 0.896 307 L HN 0.120 nan 8.230 nan 0.000 0.432 308 V N -0.770 118.852 119.914 -0.487 0.000 2.261 308 V HA -0.365 3.758 4.120 0.005 0.000 0.246 308 V C 2.151 177.993 176.094 -0.419 0.000 1.047 308 V CA 1.931 63.806 62.300 -0.710 0.000 1.015 308 V CB -0.731 30.465 31.823 -1.045 0.000 0.642 308 V HN 0.387 nan 8.190 nan 0.000 0.446 309 Y N 0.319 120.362 120.300 -0.429 0.000 2.151 309 Y HA -0.296 4.257 4.550 0.005 0.000 0.284 309 Y C 2.856 178.621 175.900 -0.226 0.000 1.166 309 Y CA 1.298 59.222 58.100 -0.293 0.000 1.163 309 Y CB -0.700 37.634 38.460 -0.210 0.000 0.974 309 Y HN 0.283 nan 8.280 nan 0.000 0.511 310 T N 0.959 115.498 114.554 -0.025 0.000 2.595 310 T HA -0.253 4.100 4.350 0.005 0.000 0.264 310 T C 1.872 176.552 174.700 -0.032 0.000 1.058 310 T CA 1.583 63.673 62.100 -0.016 0.000 1.166 310 T CB -0.787 68.092 68.868 0.019 0.000 0.863 310 T HN 0.188 nan 8.240 nan 0.000 0.415 311 L N 1.327 122.473 121.223 -0.129 0.000 2.051 311 L HA -0.118 4.225 4.340 0.005 0.000 0.214 311 L C 2.401 179.187 176.870 -0.139 0.000 1.076 311 L CA 1.576 56.318 54.840 -0.164 0.000 0.758 311 L CB -0.777 41.089 42.059 -0.321 0.000 0.890 311 L HN 0.116 nan 8.230 nan 0.000 0.433 312 V N -0.315 119.498 119.914 -0.167 0.000 2.270 312 V HA -0.314 3.809 4.120 0.005 0.000 0.245 312 V C 2.321 178.381 176.094 -0.058 0.000 1.043 312 V CA 2.037 64.269 62.300 -0.113 0.000 1.014 312 V CB -0.777 30.961 31.823 -0.141 0.000 0.645 312 V HN 0.569 nan 8.190 nan 0.000 0.447 313 D N -0.251 120.126 120.400 -0.039 0.000 2.104 313 D HA -0.173 4.470 4.640 0.005 0.000 0.194 313 D C 2.041 178.400 176.300 0.098 0.000 0.994 313 D CA 1.588 55.605 54.000 0.028 0.000 0.830 313 D CB -0.062 40.768 40.800 0.049 0.000 0.959 313 D HN 0.176 nan 8.370 nan 0.000 0.452 314 V N -0.237 119.728 119.914 0.086 0.000 2.287 314 V HA -0.236 3.887 4.120 0.005 0.000 0.248 314 V C 2.533 178.572 176.094 -0.091 0.000 1.053 314 V CA 1.417 63.726 62.300 0.014 0.000 1.027 314 V CB -0.413 31.376 31.823 -0.058 0.000 0.646 314 V HN 0.189 nan 8.190 nan 0.000 0.447 315 V N 0.918 120.781 119.914 -0.086 0.000 2.407 315 V HA -0.221 3.902 4.120 0.005 0.000 0.248 315 V C 2.631 178.722 176.094 -0.004 0.000 1.055 315 V CA 2.221 64.472 62.300 -0.083 0.000 1.049 315 V CB -0.846 30.928 31.823 -0.082 0.000 0.662 315 V HN 0.777 nan 8.190 nan 0.000 0.455 316 S N -0.242 115.481 115.700 0.039 0.000 2.507 316 S HA -0.117 4.356 4.470 0.005 0.000 0.235 316 S C 1.493 176.173 174.600 0.133 0.000 0.988 316 S CA 0.947 59.208 58.200 0.102 0.000 0.944 316 S CB -0.339 62.917 63.200 0.095 0.000 0.762 316 S HN 0.678 nan 8.310 nan 0.000 0.526 317 K N 0.453 120.938 120.400 0.142 0.000 2.440 317 K HA 0.373 4.696 4.320 0.005 0.000 0.206 317 K C 0.975 177.744 176.600 0.281 0.000 1.025 317 K CA 0.249 56.669 56.287 0.220 0.000 1.135 317 K CB 0.338 33.024 32.500 0.311 0.000 0.856 317 K HN 0.429 nan 8.250 nan 0.000 0.502 318 G N 0.877 109.745 108.800 0.113 0.000 2.148 318 G HA2 -0.253 3.710 3.960 0.005 0.000 0.254 318 G HA3 -0.253 3.710 3.960 0.005 0.000 0.254 318 G C 0.362 175.136 174.900 -0.210 0.000 0.981 318 G CA -0.026 45.102 45.100 0.046 0.000 0.670 318 G HN 0.506 nan 8.290 nan 0.000 0.528 319 G N -0.903 107.549 108.800 -0.581 0.000 2.552 319 G HA2 0.603 4.566 3.960 0.005 0.000 0.318 319 G HA3 0.603 4.566 3.960 0.005 0.000 0.318 319 G C -0.457 174.071 174.900 -0.621 0.000 1.240 319 G CA -0.547 43.844 45.100 -1.181 0.000 1.002 319 G HN 0.263 nan 8.290 nan 0.000 0.493 320 N N -1.405 116.958 118.700 -0.562 0.000 2.384 320 N HA 0.532 5.275 4.740 0.005 0.000 0.301 320 N C -1.170 174.229 175.510 -0.184 0.000 1.133 320 N CA -0.610 52.246 53.050 -0.323 0.000 0.853 320 N CB 2.110 40.345 38.487 -0.420 0.000 1.241 320 N HN 0.362 nan 8.380 nan 0.000 0.502 321 L N 1.715 122.924 121.223 -0.023 0.000 2.287 321 L HA 0.537 4.880 4.340 0.005 0.000 0.287 321 L C -1.264 175.651 176.870 0.075 0.000 1.022 321 L CA -0.634 54.254 54.840 0.080 0.000 0.814 321 L CB 0.794 42.916 42.059 0.105 0.000 1.217 321 L HN 0.433 nan 8.230 nan 0.000 0.420 322 L N 6.246 127.463 121.223 -0.009 0.000 2.417 322 L HA 0.449 4.792 4.340 0.005 0.000 0.258 322 L C -0.887 175.932 176.870 -0.085 0.000 1.088 322 L CA -0.326 54.433 54.840 -0.136 0.000 0.975 322 L CB 0.595 42.526 42.059 -0.213 0.000 1.341 322 L HN 0.697 nan 8.230 nan 0.000 0.431 323 L N 3.627 124.845 121.223 -0.008 0.000 2.410 323 L HA 0.286 4.628 4.340 0.005 0.000 0.273 323 L C 0.178 177.059 176.870 0.018 0.000 1.144 323 L CA 0.448 55.297 54.840 0.015 0.000 0.863 323 L CB 0.442 42.602 42.059 0.167 0.000 1.140 323 L HN 0.710 nan 8.230 nan 0.000 0.463 324 N N 3.392 122.095 118.700 0.005 0.000 2.518 324 N HA 0.451 5.194 4.740 0.005 0.000 0.283 324 N C -1.354 174.112 175.510 -0.072 0.000 1.119 324 N CA -0.413 52.658 53.050 0.036 0.000 0.983 324 N CB 1.127 39.602 38.487 -0.020 0.000 1.139 324 N HN 0.406 nan 8.380 nan 0.000 0.465 325 V N 1.591 121.462 119.914 -0.072 0.000 2.540 325 V HA 0.635 4.758 4.120 0.005 0.000 0.302 325 V C 0.410 176.439 176.094 -0.108 0.000 1.035 325 V CA -0.796 61.437 62.300 -0.112 0.000 0.873 325 V CB 1.624 33.358 31.823 -0.149 0.000 0.992 325 V HN 0.845 nan 8.190 nan 0.000 0.428 326 G N 5.670 114.422 108.800 -0.080 0.000 2.873 326 G HA2 0.595 4.558 3.960 0.005 0.000 0.340 326 G HA3 0.595 4.558 3.960 0.005 0.000 0.340 326 G C -2.844 172.031 174.900 -0.043 0.000 1.171 326 G CA -1.347 43.755 45.100 0.003 0.000 1.113 326 G HN 0.485 nan 8.290 nan 0.000 0.471 327 P HA 0.115 nan 4.420 nan 0.000 0.271 327 P C 0.186 177.394 177.300 -0.153 0.000 1.233 327 P CA -0.000 62.870 63.100 -0.383 0.000 0.789 327 P CB 0.955 32.107 31.700 -0.912 0.000 0.951 328 K N 0.211 120.489 120.400 -0.204 0.000 2.090 328 K HA 0.317 4.640 4.320 0.005 0.000 0.249 328 K C 1.807 178.604 176.600 0.328 0.000 0.995 328 K CA -0.336 55.861 56.287 -0.150 0.000 0.914 328 K CB 0.273 32.559 32.500 -0.356 0.000 1.057 328 K HN 0.490 nan 8.250 nan 0.000 0.462 329 G N 1.252 110.230 108.800 0.296 0.000 2.499 329 G HA2 -0.269 3.694 3.960 0.005 0.000 0.221 329 G HA3 -0.269 3.694 3.960 0.005 0.000 0.221 329 G C 0.846 176.019 174.900 0.453 0.000 1.109 329 G CA 1.243 46.606 45.100 0.438 0.000 0.749 329 G HN 0.816 nan 8.290 nan 0.000 0.568 330 D N -0.950 119.637 120.400 0.310 0.000 2.340 330 D HA 0.199 4.842 4.640 0.005 0.000 0.220 330 D C 1.698 178.200 176.300 0.337 0.000 1.039 330 D CA 0.673 54.821 54.000 0.247 0.000 0.866 330 D CB -0.539 40.354 40.800 0.155 0.000 0.913 330 D HN 0.503 nan 8.370 nan 0.000 0.523 331 G N 0.170 109.261 108.800 0.484 0.000 2.141 331 G HA2 -0.242 3.721 3.960 0.005 0.000 0.242 331 G HA3 -0.242 3.721 3.960 0.005 0.000 0.242 331 G C 0.402 175.596 174.900 0.489 0.000 0.982 331 G CA 0.536 45.914 45.100 0.464 0.000 0.662 331 G HN 0.803 nan 8.290 nan 0.000 0.527 332 T N -1.139 113.576 114.554 0.268 0.000 2.934 332 T HA 0.746 5.099 4.350 0.005 0.000 0.283 332 T C 0.335 175.027 174.700 -0.014 0.000 1.005 332 T CA -0.934 61.278 62.100 0.187 0.000 1.041 332 T CB 2.160 71.079 68.868 0.084 0.000 1.042 332 T HN 0.470 nan 8.240 nan 0.000 0.505 333 I N 2.537 123.060 120.570 -0.079 0.000 2.312 333 I HA 0.304 4.477 4.170 0.005 0.000 0.290 333 I C -2.310 173.725 176.117 -0.136 0.000 1.008 333 I CA -2.614 58.554 61.300 -0.221 0.000 1.226 333 I CB 1.388 39.192 38.000 -0.326 0.000 1.371 333 I HN 0.437 nan 8.210 nan 0.000 0.468 334 P HA -0.017 nan 4.420 nan 0.000 0.261 334 P C -0.001 177.280 177.300 -0.031 0.000 1.173 334 P CA 0.278 63.334 63.100 -0.073 0.000 0.760 334 P CB 0.571 32.262 31.700 -0.015 0.000 0.783 335 D N 1.936 122.329 120.400 -0.011 0.000 2.149 335 D HA -0.205 4.438 4.640 0.005 0.000 0.194 335 D C 1.701 178.002 176.300 0.002 0.000 1.001 335 D CA 1.258 55.257 54.000 -0.002 0.000 0.849 335 D CB -0.326 40.479 40.800 0.008 0.000 0.939 335 D HN 0.352 nan 8.370 nan 0.000 0.449 336 L N 0.231 121.461 121.223 0.013 0.000 2.046 336 L HA -0.240 4.103 4.340 0.005 0.000 0.208 336 L C 2.473 179.344 176.870 0.000 0.000 1.077 336 L CA 1.333 56.180 54.840 0.011 0.000 0.747 336 L CB -0.269 41.806 42.059 0.026 0.000 0.896 336 L HN 0.146 nan 8.230 nan 0.000 0.432 337 Q N -0.446 119.352 119.800 -0.003 0.000 2.020 337 Q HA -0.255 4.088 4.340 0.005 0.000 0.198 337 Q C 2.207 178.200 176.000 -0.012 0.000 0.974 337 Q CA 1.551 57.344 55.803 -0.015 0.000 0.829 337 Q CB -0.085 28.634 28.738 -0.032 0.000 0.894 337 Q HN 0.341 nan 8.270 nan 0.000 0.433 338 K N 1.362 121.749 120.400 -0.021 0.000 2.044 338 K HA -0.273 4.050 4.320 0.005 0.000 0.210 338 K C 2.039 178.643 176.600 0.006 0.000 1.049 338 K CA 1.915 58.195 56.287 -0.013 0.000 0.927 338 K CB -0.122 32.362 32.500 -0.026 0.000 0.713 338 K HN 0.268 nan 8.250 nan 0.000 0.443 339 E N 0.385 120.586 120.200 0.002 0.000 2.118 339 E HA -0.259 4.094 4.350 0.005 0.000 0.195 339 E C 2.005 178.608 176.600 0.004 0.000 0.992 339 E CA 1.217 57.620 56.400 0.005 0.000 0.804 339 E CB -0.105 29.596 29.700 0.001 0.000 0.741 339 E HN 0.313 nan 8.360 nan 0.000 0.458 340 R N 0.244 120.742 120.500 -0.003 0.000 2.092 340 R HA 0.017 4.360 4.340 0.005 0.000 0.231 340 R C 2.616 178.919 176.300 0.006 0.000 1.119 340 R CA 1.278 57.369 56.100 -0.015 0.000 0.970 340 R CB -0.255 30.026 30.300 -0.031 0.000 0.864 340 R HN 0.250 nan 8.270 nan 0.000 0.440 341 L N 0.488 121.733 121.223 0.038 0.000 2.046 341 L HA -0.214 4.129 4.340 0.005 0.000 0.208 341 L C 2.282 179.214 176.870 0.102 0.000 1.077 341 L CA 1.318 56.215 54.840 0.095 0.000 0.747 341 L CB -0.407 41.729 42.059 0.128 0.000 0.896 341 L HN 0.229 nan 8.230 nan 0.000 0.432 342 L N -0.706 120.561 121.223 0.073 0.000 2.093 342 L HA -0.127 4.216 4.340 0.005 0.000 0.208 342 L C 2.657 179.571 176.870 0.074 0.000 1.085 342 L CA 1.257 56.142 54.840 0.074 0.000 0.755 342 L CB -1.075 41.014 42.059 0.050 0.000 0.904 342 L HN 0.325 nan 8.230 nan 0.000 0.435 343 G N 0.138 108.967 108.800 0.048 0.000 2.418 343 G HA2 -0.282 3.681 3.960 0.005 0.000 0.217 343 G HA3 -0.282 3.681 3.960 0.005 0.000 0.217 343 G C 1.561 176.501 174.900 0.067 0.000 1.158 343 G CA 0.639 45.766 45.100 0.045 0.000 0.771 343 G HN 0.207 nan 8.290 nan 0.000 0.545 344 L N 1.612 122.852 121.223 0.029 0.000 2.046 344 L HA 0.156 4.499 4.340 0.005 0.000 0.208 344 L C 2.795 179.745 176.870 0.133 0.000 1.077 344 L CA 2.222 57.064 54.840 0.004 0.000 0.747 344 L CB -0.979 41.010 42.059 -0.117 0.000 0.896 344 L HN 0.167 nan 8.230 nan 0.000 0.432 345 G N -1.193 107.702 108.800 0.159 0.000 2.418 345 G HA2 -0.242 3.721 3.960 0.005 0.000 0.217 345 G HA3 -0.242 3.721 3.960 0.005 0.000 0.217 345 G C 1.429 176.444 174.900 0.192 0.000 1.158 345 G CA 0.789 46.011 45.100 0.203 0.000 0.771 345 G HN 0.535 nan 8.290 nan 0.000 0.545 346 E N -0.784 119.518 120.200 0.170 0.000 2.072 346 E HA -0.151 4.202 4.350 0.005 0.000 0.191 346 E C 2.086 178.822 176.600 0.227 0.000 0.985 346 E CA 0.846 57.341 56.400 0.159 0.000 0.801 346 E CB -0.243 29.536 29.700 0.131 0.000 0.750 346 E HN 0.655 nan 8.360 nan 0.000 0.452 347 W N 1.456 122.806 121.300 0.083 0.000 2.363 347 W HA -0.118 4.545 4.660 0.005 0.000 0.296 347 W C 1.708 178.335 176.519 0.179 0.000 1.212 347 W CA 1.066 58.505 57.345 0.157 0.000 1.260 347 W CB -0.039 29.470 29.460 0.080 0.000 1.131 347 W HN -0.049 nan 8.180 nan 0.000 0.530 348 L N 0.251 121.715 121.223 0.402 0.000 2.217 348 L HA -0.075 4.268 4.340 0.005 0.000 0.211 348 L C 2.669 179.612 176.870 0.121 0.000 1.107 348 L CA 1.035 56.014 54.840 0.232 0.000 0.783 348 L CB -0.716 41.537 42.059 0.325 0.000 0.919 348 L HN -0.096 nan 8.230 nan 0.000 0.442 349 R N 0.096 120.660 120.500 0.107 0.000 2.115 349 R HA -0.181 4.162 4.340 0.005 0.000 0.230 349 R C 2.280 178.543 176.300 -0.061 0.000 1.111 349 R CA 1.348 57.480 56.100 0.053 0.000 0.976 349 R CB 0.033 30.363 30.300 0.049 0.000 0.870 349 R HN 0.212 nan 8.270 nan 0.000 0.445 350 K N -0.916 119.381 120.400 -0.172 0.000 2.098 350 K HA -0.086 4.237 4.320 0.005 0.000 0.203 350 K C 0.565 176.768 176.600 -0.661 0.000 1.051 350 K CA 1.120 57.144 56.287 -0.438 0.000 0.957 350 K CB 0.262 32.442 32.500 -0.533 0.000 0.738 350 K HN 0.140 nan 8.250 nan 0.000 0.447 351 Y N -0.783 119.199 120.300 -0.530 0.000 2.584 351 Y HA 0.291 4.844 4.550 0.005 0.000 0.254 351 Y C 1.630 177.192 175.900 -0.563 0.000 1.177 351 Y CA -0.208 57.466 58.100 -0.710 0.000 1.216 351 Y CB 0.569 38.145 38.460 -1.473 0.000 1.172 351 Y HN 0.137 nan 8.280 nan 0.000 0.529 352 G N 0.555 109.262 108.800 -0.155 0.000 2.545 352 G HA2 -0.377 3.586 3.960 0.005 0.000 0.222 352 G HA3 -0.377 3.586 3.960 0.005 0.000 0.222 352 G C 1.198 176.111 174.900 0.022 0.000 1.126 352 G CA 1.828 46.955 45.100 0.045 0.000 0.754 352 G HN 0.329 nan 8.290 nan 0.000 0.583 353 D N 0.317 120.723 120.400 0.009 0.000 2.182 353 D HA 0.061 4.704 4.640 0.005 0.000 0.201 353 D C 2.569 178.555 176.300 -0.523 0.000 0.986 353 D CA 1.171 55.151 54.000 -0.033 0.000 0.847 353 D CB -0.156 40.758 40.800 0.191 0.000 0.942 353 D HN 0.356 nan 8.370 nan 0.000 0.467 354 A N -0.585 121.673 122.820 -0.937 0.000 2.251 354 A HA 0.091 4.414 4.320 0.005 0.000 0.209 354 A C 1.423 178.599 177.584 -0.681 0.000 1.187 354 A CA 0.301 51.381 52.037 -1.596 0.000 0.823 354 A CB -0.002 18.131 19.000 -1.444 0.000 0.846 354 A HN 0.116 nan 8.150 nan 0.000 0.486 355 I N -2.368 117.939 120.570 -0.438 0.000 3.534 355 I HA 0.144 4.317 4.170 0.005 0.000 0.251 355 I C 0.423 176.405 176.117 -0.225 0.000 1.136 355 I CA -0.114 60.995 61.300 -0.319 0.000 1.475 355 I CB -1.508 36.243 38.000 -0.415 0.000 1.526 355 I HN 0.245 nan 8.210 nan 0.000 0.454 356 Y N 2.004 122.296 120.300 -0.014 0.000 2.702 356 Y HA 0.281 4.834 4.550 0.005 0.000 0.336 356 Y C 1.720 177.643 175.900 0.039 0.000 1.235 356 Y CA 0.961 59.080 58.100 0.033 0.000 1.492 356 Y CB -0.041 38.451 38.460 0.053 0.000 1.308 356 Y HN 0.502 nan 8.280 nan 0.000 0.589 357 G N 1.422 110.361 108.800 0.232 0.000 2.212 357 G HA2 -0.330 3.633 3.960 0.005 0.000 0.267 357 G HA3 -0.330 3.633 3.960 0.005 0.000 0.267 357 G C 0.234 175.218 174.900 0.140 0.000 1.002 357 G CA 0.547 45.746 45.100 0.165 0.000 0.729 357 G HN 0.901 nan 8.290 nan 0.000 0.517 358 T N -2.655 111.969 114.554 0.118 0.000 2.810 358 T HA 0.760 5.113 4.350 0.005 0.000 0.277 358 T C 0.286 175.054 174.700 0.113 0.000 0.973 358 T CA 0.208 62.389 62.100 0.135 0.000 0.949 358 T CB 2.157 71.101 68.868 0.127 0.000 1.075 358 T HN 0.468 nan 8.240 nan 0.000 0.537 359 S N -0.435 115.346 115.700 0.135 0.000 2.632 359 S HA 0.657 5.130 4.470 0.005 0.000 0.289 359 S C 0.075 174.766 174.600 0.153 0.000 1.115 359 S CA -0.732 57.541 58.200 0.122 0.000 0.889 359 S CB 1.590 64.861 63.200 0.118 0.000 1.116 359 S HN 1.010 nan 8.310 nan 0.000 0.486 360 V N 0.206 120.204 119.914 0.139 0.000 3.185 360 V HA 0.557 4.680 4.120 0.005 0.000 0.305 360 V C -0.041 176.192 176.094 0.233 0.000 1.090 360 V CA -0.190 62.213 62.300 0.172 0.000 1.107 360 V CB 0.335 32.230 31.823 0.120 0.000 1.061 360 V HN 0.892 nan 8.190 nan 0.000 0.480 361 W N 0.684 122.006 121.300 0.038 0.000 3.154 361 W HA 0.477 5.139 4.660 0.005 0.000 0.454 361 W C 1.625 178.122 176.519 -0.038 0.000 1.488 361 W CA -0.485 56.852 57.345 -0.013 0.000 1.275 361 W CB 1.128 30.562 29.460 -0.043 0.000 2.277 361 W HN 0.766 nan 8.180 nan 0.000 0.683 362 E N 0.323 119.812 120.200 -1.184 0.000 2.160 362 E HA -0.154 4.199 4.350 0.005 0.000 0.195 362 E C 0.174 176.422 176.600 -0.587 0.000 0.991 362 E CA 1.295 57.118 56.400 -0.963 0.000 0.810 362 E CB 0.060 28.904 29.700 -1.427 0.000 0.742 362 E HN 0.258 nan 8.360 nan 0.000 0.466 363 R N -1.216 118.978 120.500 -0.510 0.000 2.710 363 R HA 0.280 4.623 4.340 0.005 0.000 0.270 363 R C 0.681 177.097 176.300 0.193 0.000 1.021 363 R CA -0.316 55.699 56.100 -0.142 0.000 0.889 363 R CB 0.350 30.550 30.300 -0.166 0.000 1.243 363 R HN 0.064 nan 8.270 nan 0.000 0.464 364 C N -1.603 117.828 119.300 0.219 0.000 2.512 364 C HA 0.479 4.942 4.460 0.005 0.000 0.276 364 C C 0.549 175.723 174.990 0.305 0.000 1.368 364 C CA -0.069 59.119 59.018 0.284 0.000 1.755 364 C CB -0.888 26.940 27.740 0.147 0.000 2.008 364 C HN 0.606 nan 8.230 nan 0.000 0.511 365 C N 0.885 120.358 119.300 0.288 0.000 3.080 365 C HA 0.950 5.413 4.460 0.005 0.000 0.307 365 C C 0.147 175.238 174.990 0.169 0.000 1.311 365 C CA 0.318 59.407 59.018 0.119 0.000 1.533 365 C CB 1.005 28.769 27.740 0.039 0.000 1.970 365 C HN 0.933 nan 8.230 nan 0.000 0.467 366 A N 1.306 124.103 122.820 -0.038 0.000 2.566 366 A HA 0.901 5.224 4.320 0.005 0.000 0.290 366 A C -1.779 175.735 177.584 -0.117 0.000 1.071 366 A CA -0.665 51.371 52.037 -0.001 0.000 0.658 366 A CB 1.301 20.371 19.000 0.117 0.000 1.285 366 A HN 1.028 nan 8.150 nan 0.000 0.427 367 K N -0.485 119.877 120.400 -0.063 0.000 2.512 367 K HA 0.763 5.086 4.320 0.005 0.000 0.263 367 K C -0.423 176.163 176.600 -0.023 0.000 0.966 367 K CA -0.147 56.097 56.287 -0.072 0.000 0.851 367 K CB 1.774 34.248 32.500 -0.044 0.000 1.395 367 K HN 0.994 nan 8.250 nan 0.000 0.440 368 T N -1.734 112.822 114.554 0.004 0.000 2.882 368 T HA 0.113 4.466 4.350 0.005 0.000 0.287 368 T C 1.055 175.784 174.700 0.048 0.000 1.014 368 T CA -0.485 61.652 62.100 0.062 0.000 1.049 368 T CB 1.266 70.210 68.868 0.126 0.000 1.001 368 T HN 0.763 nan 8.240 nan 0.000 0.525 369 E N 0.675 120.909 120.200 0.058 0.000 2.147 369 E HA -0.255 4.098 4.350 0.005 0.000 0.199 369 E C 1.222 177.843 176.600 0.035 0.000 1.005 369 E CA 2.025 58.452 56.400 0.044 0.000 0.810 369 E CB -0.124 29.604 29.700 0.047 0.000 0.736 369 E HN 0.947 nan 8.360 nan 0.000 0.460 370 D N -2.150 118.273 120.400 0.039 0.000 2.342 370 D HA 0.106 4.749 4.640 0.005 0.000 0.221 370 D C 0.853 177.167 176.300 0.024 0.000 1.101 370 D CA 0.582 54.600 54.000 0.030 0.000 0.837 370 D CB 0.575 41.394 40.800 0.031 0.000 0.938 370 D HN 0.177 nan 8.370 nan 0.000 0.508 371 G N -0.370 108.443 108.800 0.021 0.000 2.132 371 G HA2 -0.259 3.704 3.960 0.005 0.000 0.234 371 G HA3 -0.259 3.704 3.960 0.005 0.000 0.234 371 G C 0.257 175.154 174.900 -0.004 0.000 0.989 371 G CA 0.180 45.284 45.100 0.006 0.000 0.676 371 G HN 0.399 nan 8.290 nan 0.000 0.522 372 T N 1.802 116.363 114.554 0.012 0.000 2.832 372 T HA 0.436 4.789 4.350 0.005 0.000 0.296 372 T C 0.297 174.959 174.700 -0.063 0.000 0.968 372 T CA -0.185 61.916 62.100 0.001 0.000 1.107 372 T CB 1.468 70.391 68.868 0.092 0.000 0.916 372 T HN 0.239 nan 8.240 nan 0.000 0.517 373 E N 2.535 122.657 120.200 -0.130 0.000 2.338 373 E HA 0.321 4.674 4.350 0.005 0.000 0.272 373 E C -0.164 176.259 176.600 -0.294 0.000 1.029 373 E CA -0.065 56.221 56.400 -0.190 0.000 0.872 373 E CB 1.118 30.704 29.700 -0.191 0.000 1.015 373 E HN 0.517 nan 8.360 nan 0.000 0.417 374 I N 3.231 123.573 120.570 -0.379 0.000 2.509 374 I HA 0.341 4.514 4.170 0.005 0.000 0.293 374 I C 0.113 175.853 176.117 -0.628 0.000 1.020 374 I CA -0.904 60.023 61.300 -0.623 0.000 1.088 374 I CB 1.457 38.949 38.000 -0.847 0.000 1.267 374 I HN 0.041 nan 8.210 nan 0.000 0.430 375 R N 4.885 125.006 120.500 -0.631 0.000 2.740 375 R HA 0.629 4.972 4.340 0.005 0.000 0.282 375 R C -1.386 174.609 176.300 -0.508 0.000 0.969 375 R CA -0.841 54.980 56.100 -0.465 0.000 0.918 375 R CB 1.881 32.050 30.300 -0.218 0.000 1.175 375 R HN 0.369 nan 8.270 nan 0.000 0.464 376 F N 0.018 119.991 119.950 0.038 0.000 2.492 376 F HA 0.590 5.120 4.527 0.005 0.000 0.327 376 F C 0.866 176.742 175.800 0.126 0.000 1.079 376 F CA -0.542 57.507 58.000 0.081 0.000 0.967 376 F CB 2.311 41.463 39.000 0.253 0.000 1.169 376 F HN 0.469 nan 8.300 nan 0.000 0.472 377 T N -0.369 114.386 114.554 0.335 0.000 2.816 377 T HA 0.790 5.143 4.350 0.005 0.000 0.299 377 T C -1.089 173.779 174.700 0.280 0.000 1.230 377 T CA -1.200 61.076 62.100 0.294 0.000 1.007 377 T CB 2.649 71.658 68.868 0.236 0.000 1.289 377 T HN 0.906 nan 8.240 nan 0.000 0.508 378 R N -0.070 120.589 120.500 0.266 0.000 2.739 378 R HA 0.744 5.086 4.340 0.005 0.000 0.271 378 R C -1.875 174.547 176.300 0.203 0.000 1.010 378 R CA -1.133 55.053 56.100 0.142 0.000 0.897 378 R CB 1.842 32.194 30.300 0.087 0.000 1.236 378 R HN 0.682 nan 8.270 nan 0.000 0.466 379 K N 2.259 122.727 120.400 0.114 0.000 2.668 379 K HA 0.327 4.650 4.320 0.005 0.000 0.246 379 K C -0.554 176.074 176.600 0.047 0.000 0.976 379 K CA -0.489 55.885 56.287 0.145 0.000 0.902 379 K CB 1.140 33.803 32.500 0.272 0.000 1.172 379 K HN 0.862 nan 8.250 nan 0.000 0.452 380 C N 0.889 120.221 119.300 0.055 0.000 0.444 380 C HA -0.368 4.095 4.460 0.005 0.000 0.029 380 C C 1.992 176.982 174.990 -0.001 0.000 0.241 380 C CA 1.665 60.702 59.018 0.032 0.000 0.521 380 C CB -1.440 26.317 27.740 0.029 0.000 3.212 380 C HN 1.096 nan 8.230 nan 0.000 1.115 381 N N 1.083 119.768 118.700 -0.025 0.000 2.446 381 N HA 0.017 4.760 4.740 0.005 0.000 0.179 381 N C 0.290 175.716 175.510 -0.140 0.000 1.054 381 N CA 0.245 53.261 53.050 -0.057 0.000 0.905 381 N CB -0.123 38.340 38.487 -0.041 0.000 0.973 381 N HN 0.665 nan 8.380 nan 0.000 0.448 382 R N 1.161 121.548 120.500 -0.187 0.000 2.347 382 R HA 0.321 4.664 4.340 0.005 0.000 0.304 382 R C -0.557 175.407 176.300 -0.560 0.000 1.072 382 R CA -0.059 55.811 56.100 -0.384 0.000 0.980 382 R CB 1.084 31.115 30.300 -0.448 0.000 0.986 382 R HN 0.226 nan 8.270 nan 0.000 0.448 383 I N 4.507 124.708 120.570 -0.614 0.000 2.354 383 I HA 0.241 4.414 4.170 0.005 0.000 0.286 383 I C -0.491 175.293 176.117 -0.555 0.000 1.007 383 I CA -0.600 60.321 61.300 -0.630 0.000 1.167 383 I CB 0.829 38.358 38.000 -0.786 0.000 1.320 383 I HN 0.382 nan 8.210 nan 0.000 0.458 384 F N 5.596 125.472 119.950 -0.123 0.000 2.396 384 F HA 0.378 4.908 4.527 0.005 0.000 0.343 384 F C 0.304 176.079 175.800 -0.042 0.000 1.104 384 F CA -0.719 57.235 58.000 -0.076 0.000 1.161 384 F CB 1.208 40.149 39.000 -0.098 0.000 1.146 384 F HN 0.051 nan 8.300 nan 0.000 0.522 385 V N 5.485 125.474 119.914 0.124 0.000 2.326 385 V HA 0.359 4.482 4.120 0.005 0.000 0.281 385 V C -0.083 175.980 176.094 -0.050 0.000 1.015 385 V CA -0.639 61.657 62.300 -0.006 0.000 0.823 385 V CB 0.903 32.748 31.823 0.037 0.000 1.009 385 V HN 0.544 nan 8.190 nan 0.000 0.436 386 I N 5.020 125.469 120.570 -0.203 0.000 2.339 386 I HA 0.459 4.632 4.170 0.005 0.000 0.290 386 I C -0.742 175.225 176.117 -0.250 0.000 0.994 386 I CA -0.272 60.950 61.300 -0.130 0.000 1.191 386 I CB 1.283 39.218 38.000 -0.109 0.000 1.343 386 I HN 0.364 nan 8.210 nan 0.000 0.458 387 F N 5.993 125.830 119.950 -0.190 0.000 2.410 387 F HA 0.355 4.885 4.527 0.005 0.000 0.349 387 F C 0.407 176.047 175.800 -0.266 0.000 1.117 387 F CA -0.620 57.257 58.000 -0.204 0.000 1.104 387 F CB 1.020 39.945 39.000 -0.125 0.000 1.122 387 F HN 0.240 nan 8.300 nan 0.000 0.483 388 L N 4.716 125.769 121.223 -0.284 0.000 2.395 388 L HA 0.512 4.855 4.340 0.005 0.000 0.268 388 L C 0.614 177.186 176.870 -0.496 0.000 1.223 388 L CA -0.208 54.168 54.840 -0.773 0.000 1.093 388 L CB -1.068 40.317 42.059 -1.124 0.000 1.349 388 L HN 0.891 nan 8.230 nan 0.000 0.427 389 G N 2.590 111.341 108.800 -0.081 0.000 2.392 389 G HA2 -0.007 3.956 3.960 0.005 0.000 0.677 389 G HA3 -0.007 3.956 3.960 0.005 0.000 0.677 389 G C -1.136 173.803 174.900 0.065 0.000 1.334 389 G CA -1.055 44.102 45.100 0.096 0.000 0.961 389 G HN 0.246 nan 8.290 nan 0.000 0.616 390 I N 1.507 122.106 120.570 0.048 0.000 2.382 390 I HA 0.328 4.501 4.170 0.005 0.000 0.286 390 I C -2.026 174.072 176.117 -0.032 0.000 1.002 390 I CA -1.874 59.419 61.300 -0.013 0.000 1.135 390 I CB 1.897 39.906 38.000 0.016 0.000 1.288 390 I HN 0.220 nan 8.210 nan 0.000 0.448 391 P HA 0.013 nan 4.420 nan 0.000 0.265 391 P C 1.065 178.339 177.300 -0.043 0.000 1.187 391 P CA -0.001 63.060 63.100 -0.065 0.000 0.766 391 P CB 0.621 32.245 31.700 -0.127 0.000 0.820 392 T N -0.492 114.051 114.554 -0.017 0.000 2.857 392 T HA 0.072 4.425 4.350 0.005 0.000 0.266 392 T C 1.009 175.701 174.700 -0.012 0.000 1.048 392 T CA 0.739 62.834 62.100 -0.009 0.000 1.139 392 T CB -0.594 68.275 68.868 0.001 0.000 0.874 392 T HN 0.467 nan 8.240 nan 0.000 0.455 393 G N -0.039 108.753 108.800 -0.012 0.000 2.509 393 G HA2 0.502 4.465 3.960 0.005 0.000 0.328 393 G HA3 0.502 4.465 3.960 0.005 0.000 0.328 393 G C 0.129 175.019 174.900 -0.017 0.000 1.194 393 G CA -0.675 44.420 45.100 -0.009 0.000 0.967 393 G HN 0.332 nan 8.290 nan 0.000 0.488 394 E N -0.708 119.487 120.200 -0.009 0.000 2.371 394 E HA -0.003 4.350 4.350 0.005 0.000 0.194 394 E C 0.756 177.359 176.600 0.005 0.000 1.012 394 E CA 0.324 56.718 56.400 -0.009 0.000 0.860 394 E CB 0.326 30.024 29.700 -0.004 0.000 0.811 394 E HN 0.331 nan 8.360 nan 0.000 0.502 395 K N 1.866 122.275 120.400 0.015 0.000 2.248 395 K HA 0.302 4.625 4.320 0.005 0.000 0.281 395 K C -0.944 175.681 176.600 0.041 0.000 1.054 395 K CA -0.134 56.173 56.287 0.033 0.000 0.903 395 K CB 0.554 33.073 32.500 0.033 0.000 1.077 395 K HN -0.084 nan 8.250 nan 0.000 0.474 396 I N 4.388 124.996 120.570 0.064 0.000 2.474 396 I HA 0.267 4.440 4.170 0.005 0.000 0.294 396 I C -0.824 175.368 176.117 0.125 0.000 1.005 396 I CA -1.275 60.081 61.300 0.092 0.000 1.113 396 I CB 2.143 40.199 38.000 0.094 0.000 1.289 396 I HN 0.246 nan 8.210 nan 0.000 0.436 397 V N 6.982 126.969 119.914 0.123 0.000 2.376 397 V HA 0.410 4.533 4.120 0.005 0.000 0.287 397 V C 0.010 176.175 176.094 0.120 0.000 1.015 397 V CA -0.476 61.893 62.300 0.114 0.000 0.834 397 V CB 1.403 33.275 31.823 0.082 0.000 1.001 397 V HN 0.476 nan 8.190 nan 0.000 0.428 398 I N 4.076 124.724 120.570 0.129 0.000 2.301 398 I HA 0.272 4.445 4.170 0.005 0.000 0.292 398 I C 0.639 176.812 176.117 0.092 0.000 1.046 398 I CA -0.195 61.167 61.300 0.104 0.000 1.282 398 I CB 0.665 38.734 38.000 0.115 0.000 1.409 398 I HN 0.629 nan 8.210 nan 0.000 0.484 399 E N 6.510 126.752 120.200 0.069 0.000 2.324 399 E HA 0.028 4.381 4.350 0.005 0.000 0.271 399 E C -0.664 175.978 176.600 0.070 0.000 1.028 399 E CA -0.047 56.389 56.400 0.061 0.000 0.890 399 E CB 0.332 30.058 29.700 0.043 0.000 1.004 399 E HN 0.492 nan 8.360 nan 0.000 0.431 400 D N 1.873 122.313 120.400 0.067 0.000 2.778 400 D HA -0.181 4.462 4.640 0.005 0.000 0.246 400 D C -1.168 175.185 176.300 0.088 0.000 1.107 400 D CA 0.647 54.686 54.000 0.065 0.000 0.732 400 D CB -0.786 40.045 40.800 0.051 0.000 1.055 400 D HN 0.184 nan 8.370 nan 0.000 0.429 401 L N 0.820 122.104 121.223 0.102 0.000 2.614 401 L HA 0.385 4.728 4.340 0.005 0.000 0.264 401 L C -1.290 175.651 176.870 0.118 0.000 0.940 401 L CA -0.332 54.583 54.840 0.126 0.000 0.903 401 L CB 1.731 43.906 42.059 0.193 0.000 1.306 401 L HN 0.032 nan 8.230 nan 0.000 0.410 402 N N 4.520 123.283 118.700 0.105 0.000 2.319 402 N HA 0.791 5.534 4.740 0.005 0.000 0.305 402 N C -1.553 174.031 175.510 0.123 0.000 1.103 402 N CA -0.810 52.306 53.050 0.111 0.000 0.815 402 N CB 1.905 40.442 38.487 0.083 0.000 1.288 402 N HN 0.465 nan 8.380 nan 0.000 0.493 403 L N 0.870 122.179 121.223 0.144 0.000 2.362 403 L HA 0.373 4.715 4.340 0.005 0.000 0.271 403 L C 0.801 177.764 176.870 0.156 0.000 1.002 403 L CA -0.344 54.570 54.840 0.124 0.000 0.818 403 L CB 2.094 44.189 42.059 0.061 0.000 1.298 403 L HN 0.667 nan 8.230 nan 0.000 0.420 404 S N 0.061 115.828 115.700 0.113 0.000 2.514 404 S HA 0.043 4.516 4.470 0.005 0.000 0.223 404 S C 1.718 176.386 174.600 0.113 0.000 1.046 404 S CA 0.354 58.620 58.200 0.110 0.000 0.914 404 S CB 0.281 63.528 63.200 0.078 0.000 0.807 404 S HN 0.677 nan 8.310 nan 0.000 0.497 405 A N 1.958 124.821 122.820 0.071 0.000 2.117 405 A HA 0.128 4.451 4.320 0.005 0.000 0.224 405 A C 2.333 179.988 177.584 0.118 0.000 1.167 405 A CA 2.096 54.156 52.037 0.039 0.000 0.664 405 A CB -1.765 17.193 19.000 -0.071 0.000 0.811 405 A HN 1.561 nan 8.150 nan 0.000 0.470 406 G N -2.306 106.668 108.800 0.291 0.000 2.623 406 G HA2 -0.329 3.634 3.960 0.005 0.000 0.241 406 G HA3 -0.329 3.634 3.960 0.005 0.000 0.241 406 G C 0.789 175.951 174.900 0.438 0.000 1.114 406 G CA 1.578 46.897 45.100 0.365 0.000 0.682 406 G HN 1.635 nan 8.290 nan 0.000 0.524 407 T N 0.122 114.795 114.554 0.199 0.000 2.809 407 T HA 0.586 4.939 4.350 0.005 0.000 0.284 407 T C -0.807 173.847 174.700 -0.076 0.000 0.992 407 T CA -0.064 62.113 62.100 0.129 0.000 0.957 407 T CB 1.537 70.448 68.868 0.071 0.000 0.942 407 T HN 0.705 nan 8.240 nan 0.000 0.439 408 V N 7.280 127.111 119.914 -0.140 0.000 2.349 408 V HA 0.517 4.640 4.120 0.005 0.000 0.284 408 V C 0.307 176.374 176.094 -0.046 0.000 1.014 408 V CA -0.870 61.280 62.300 -0.249 0.000 0.826 408 V CB 1.207 32.668 31.823 -0.603 0.000 1.009 408 V HN 0.823 nan 8.190 nan 0.000 0.431 409 R N 1.809 122.307 120.500 -0.003 0.000 2.607 409 R HA 0.478 4.821 4.340 0.005 0.000 0.261 409 R C -0.094 176.287 176.300 0.134 0.000 1.051 409 R CA -0.842 55.298 56.100 0.068 0.000 1.110 409 R CB 1.055 31.384 30.300 0.049 0.000 1.158 409 R HN 0.745 nan 8.270 nan 0.000 0.543 410 H N 2.376 121.485 119.070 0.065 0.000 2.652 410 H HA -0.002 4.557 4.556 0.005 0.000 0.298 410 H C 0.359 175.763 175.328 0.128 0.000 1.076 410 H CA -0.189 55.922 56.048 0.105 0.000 1.360 410 H CB 0.575 30.377 29.762 0.067 0.000 1.421 410 H HN 0.627 nan 8.280 nan 0.000 0.464 411 F N 5.307 125.118 119.950 -0.231 0.000 2.043 411 F HA -0.315 4.215 4.527 0.005 0.000 0.297 411 F C 1.662 177.377 175.800 -0.141 0.000 1.118 411 F CA 1.644 59.576 58.000 -0.113 0.000 1.202 411 F CB -0.237 38.761 39.000 -0.004 0.000 0.965 411 F HN 0.535 nan 8.300 nan 0.000 0.482 412 L N 0.574 121.619 121.223 -0.298 0.000 1.989 412 L HA -0.209 4.134 4.340 0.005 0.000 0.211 412 L C 2.721 179.514 176.870 -0.129 0.000 1.071 412 L CA 2.788 57.488 54.840 -0.234 0.000 0.749 412 L CB -1.378 40.703 42.059 0.036 0.000 0.890 412 L HN 0.534 nan 8.230 nan 0.000 0.431 413 T N -4.888 109.779 114.554 0.187 0.000 3.035 413 T HA 0.297 4.650 4.350 0.005 0.000 0.259 413 T C 1.589 176.317 174.700 0.046 0.000 1.078 413 T CA 0.700 62.882 62.100 0.136 0.000 1.132 413 T CB 0.055 69.028 68.868 0.174 0.000 0.900 413 T HN 0.562 nan 8.240 nan 0.000 0.480 414 G N 1.159 109.991 108.800 0.054 0.000 2.234 414 G HA2 -0.225 3.737 3.960 0.005 0.000 0.235 414 G HA3 -0.225 3.737 3.960 0.005 0.000 0.235 414 G C -0.042 174.892 174.900 0.056 0.000 0.997 414 G CA -0.045 45.060 45.100 0.008 0.000 0.623 414 G HN 0.580 nan 8.290 nan 0.000 0.514 415 E N 1.292 121.545 120.200 0.088 0.000 2.652 415 E HA 0.065 4.418 4.350 0.005 0.000 0.255 415 E C 0.925 177.576 176.600 0.085 0.000 0.952 415 E CA 0.210 56.649 56.400 0.065 0.000 0.947 415 E CB 0.524 30.238 29.700 0.023 0.000 0.912 415 E HN 0.540 nan 8.360 nan 0.000 0.489 416 R N 3.188 123.726 120.500 0.064 0.000 2.491 416 R HA 0.241 4.584 4.340 0.005 0.000 0.283 416 R C -0.266 176.091 176.300 0.095 0.000 1.072 416 R CA -0.111 56.037 56.100 0.079 0.000 1.048 416 R CB 0.397 30.738 30.300 0.069 0.000 0.983 416 R HN 0.363 nan 8.270 nan 0.000 0.450 417 L N 1.357 122.658 121.223 0.131 0.000 2.301 417 L HA 0.427 4.769 4.340 0.005 0.000 0.264 417 L C -0.107 176.902 176.870 0.232 0.000 1.016 417 L CA -0.960 53.969 54.840 0.148 0.000 0.821 417 L CB 1.950 44.093 42.059 0.141 0.000 1.346 417 L HN 0.526 nan 8.230 nan 0.000 0.429 418 S N 1.005 116.818 115.700 0.187 0.000 2.499 418 S HA 0.732 5.205 4.470 0.005 0.000 0.279 418 S C -0.863 173.897 174.600 0.267 0.000 1.219 418 S CA -0.416 57.887 58.200 0.171 0.000 1.062 418 S CB 0.069 63.314 63.200 0.074 0.000 0.978 418 S HN 0.418 nan 8.310 nan 0.000 0.489 419 F N 2.164 122.136 119.950 0.036 0.000 2.713 419 F HA 0.830 5.360 4.527 0.005 0.000 0.311 419 F C -1.453 174.369 175.800 0.036 0.000 1.141 419 F CA -1.209 56.817 58.000 0.043 0.000 0.939 419 F CB 1.026 40.059 39.000 0.054 0.000 1.325 419 F HN 0.616 nan 8.300 nan 0.000 0.453 420 K N 0.875 121.244 120.400 -0.051 0.000 2.572 420 K HA 0.442 4.765 4.320 0.005 0.000 0.263 420 K C -2.120 174.530 176.600 0.083 0.000 0.932 420 K CA -0.987 55.222 56.287 -0.129 0.000 0.838 420 K CB 1.497 33.919 32.500 -0.130 0.000 1.366 420 K HN 0.544 nan 8.250 nan 0.000 0.425 421 N N 1.644 120.396 118.700 0.088 0.000 2.420 421 N HA 0.147 4.890 4.740 0.005 0.000 0.262 421 N C -0.857 174.691 175.510 0.063 0.000 1.144 421 N CA -0.324 52.792 53.050 0.109 0.000 0.952 421 N CB 1.265 39.815 38.487 0.105 0.000 1.081 421 N HN 0.383 nan 8.380 nan 0.000 0.480 422 V N 1.911 121.866 119.914 0.068 0.000 2.313 422 V HA 0.531 4.654 4.120 0.005 0.000 0.278 422 V C 1.172 177.294 176.094 0.047 0.000 1.017 422 V CA -0.143 62.185 62.300 0.048 0.000 0.823 422 V CB 0.337 32.188 31.823 0.048 0.000 1.010 422 V HN 0.967 nan 8.190 nan 0.000 0.443 423 G N 5.698 114.520 108.800 0.037 0.000 2.591 423 G HA2 -0.335 3.628 3.960 0.005 0.000 0.298 423 G HA3 -0.335 3.628 3.960 0.005 0.000 0.298 423 G C 0.712 175.636 174.900 0.040 0.000 1.195 423 G CA 0.707 45.827 45.100 0.034 0.000 0.989 423 G HN 0.988 nan 8.290 nan 0.000 0.551 424 K N 0.961 121.385 120.400 0.040 0.000 2.387 424 K HA 0.309 4.632 4.320 0.005 0.000 0.198 424 K C 0.456 177.090 176.600 0.056 0.000 1.022 424 K CA 0.242 56.554 56.287 0.043 0.000 1.128 424 K CB 0.147 32.667 32.500 0.032 0.000 0.853 424 K HN 0.384 nan 8.250 nan 0.000 0.523 425 N N 0.943 119.681 118.700 0.064 0.000 2.619 425 N HA 0.379 5.122 4.740 0.005 0.000 0.294 425 N C -1.523 174.047 175.510 0.100 0.000 1.279 425 N CA -0.807 52.291 53.050 0.081 0.000 0.867 425 N CB 1.334 39.865 38.487 0.074 0.000 1.329 425 N HN 0.065 nan 8.380 nan 0.000 0.557 426 L N -0.111 121.185 121.223 0.122 0.000 2.385 426 L HA 0.481 4.824 4.340 0.005 0.000 0.273 426 L C -0.406 176.559 176.870 0.159 0.000 0.990 426 L CA -0.368 54.566 54.840 0.156 0.000 0.821 426 L CB 1.461 43.624 42.059 0.173 0.000 1.279 426 L HN 0.565 nan 8.230 nan 0.000 0.412 427 E N 5.055 125.356 120.200 0.169 0.000 2.195 427 E HA 0.708 5.061 4.350 0.005 0.000 0.271 427 E C -1.506 175.214 176.600 0.201 0.000 0.923 427 E CA -0.605 55.886 56.400 0.152 0.000 0.790 427 E CB 1.432 31.196 29.700 0.107 0.000 1.155 427 E HN 0.706 nan 8.360 nan 0.000 0.402 428 I N 2.199 122.876 120.570 0.178 0.000 2.752 428 I HA 0.195 4.368 4.170 0.005 0.000 0.295 428 I C -0.827 175.365 176.117 0.125 0.000 1.219 428 I CA -0.824 60.592 61.300 0.193 0.000 1.030 428 I CB 2.638 40.757 38.000 0.198 0.000 1.259 428 I HN 0.417 nan 8.210 nan 0.000 0.423 429 T N 4.622 119.244 114.554 0.114 0.000 2.753 429 T HA 0.439 4.792 4.350 0.005 0.000 0.297 429 T C -0.334 174.398 174.700 0.053 0.000 0.981 429 T CA -0.383 61.758 62.100 0.068 0.000 0.956 429 T CB 1.070 69.972 68.868 0.056 0.000 0.936 429 T HN 0.208 nan 8.240 nan 0.000 0.463 430 V N 7.218 127.145 119.914 0.022 0.000 2.334 430 V HA 0.321 4.444 4.120 0.005 0.000 0.281 430 V C -2.304 173.777 176.094 -0.023 0.000 1.016 430 V CA -2.392 59.909 62.300 0.002 0.000 0.832 430 V CB 1.119 32.932 31.823 -0.017 0.000 0.999 430 V HN 0.627 nan 8.190 nan 0.000 0.439 431 P HA 0.084 nan 4.420 nan 0.000 0.265 431 P C 0.773 178.039 177.300 -0.057 0.000 1.193 431 P CA -0.061 63.014 63.100 -0.041 0.000 0.765 431 P CB 0.756 32.426 31.700 -0.051 0.000 0.823 432 K N 4.839 125.216 120.400 -0.039 0.000 2.211 432 K HA -0.221 4.102 4.320 0.005 0.000 0.204 432 K C 1.650 178.225 176.600 -0.041 0.000 1.047 432 K CA 1.655 57.922 56.287 -0.034 0.000 0.935 432 K CB -0.063 32.425 32.500 -0.020 0.000 0.728 432 K HN 0.370 nan 8.250 nan 0.000 0.452 433 K N 0.448 120.817 120.400 -0.052 0.000 2.103 433 K HA -0.185 4.138 4.320 0.005 0.000 0.207 433 K C 1.887 178.436 176.600 -0.083 0.000 1.048 433 K CA 1.662 57.916 56.287 -0.054 0.000 0.930 433 K CB -0.367 32.100 32.500 -0.055 0.000 0.716 433 K HN 0.182 nan 8.250 nan 0.000 0.444 434 L N 1.056 122.184 121.223 -0.160 0.000 2.049 434 L HA -0.048 4.295 4.340 0.005 0.000 0.203 434 L C 2.632 179.467 176.870 -0.058 0.000 1.074 434 L CA 0.651 55.311 54.840 -0.299 0.000 0.749 434 L CB -0.611 40.988 42.059 -0.766 0.000 0.907 434 L HN 0.081 nan 8.230 nan 0.000 0.439 435 L N 0.075 121.280 121.223 -0.030 0.000 2.137 435 L HA -0.249 4.094 4.340 0.005 0.000 0.213 435 L C 2.301 179.199 176.870 0.047 0.000 1.085 435 L CA 1.406 56.263 54.840 0.028 0.000 0.760 435 L CB -0.518 41.531 42.059 -0.017 0.000 0.893 435 L HN 0.382 nan 8.230 nan 0.000 0.434 436 E N -0.929 119.286 120.200 0.025 0.000 2.511 436 E HA -0.106 4.247 4.350 0.005 0.000 0.196 436 E C 1.840 178.476 176.600 0.060 0.000 1.066 436 E CA 1.169 57.590 56.400 0.035 0.000 0.871 436 E CB 0.147 29.856 29.700 0.015 0.000 0.863 436 E HN 0.610 nan 8.360 nan 0.000 0.520 437 T N -2.201 112.404 114.554 0.085 0.000 3.037 437 T HA 0.023 4.376 4.350 0.005 0.000 0.252 437 T C 0.754 175.562 174.700 0.180 0.000 1.073 437 T CA -0.297 61.871 62.100 0.113 0.000 1.091 437 T CB 0.269 69.198 68.868 0.101 0.000 0.935 437 T HN -0.172 nan 8.240 nan 0.000 0.488 438 D N 1.367 121.909 120.400 0.237 0.000 2.363 438 D HA 0.273 4.916 4.640 0.005 0.000 0.240 438 D C 0.876 177.340 176.300 0.273 0.000 1.236 438 D CA -0.015 54.176 54.000 0.318 0.000 0.927 438 D CB 1.688 42.659 40.800 0.285 0.000 1.150 438 D HN 0.147 nan 8.370 nan 0.000 0.458 439 S N -0.335 115.591 115.700 0.376 0.000 2.431 439 S HA 0.169 4.642 4.470 0.005 0.000 0.210 439 S C 1.703 176.456 174.600 0.254 0.000 1.013 439 S CA 0.076 58.465 58.200 0.315 0.000 0.920 439 S CB 0.186 63.642 63.200 0.426 0.000 0.882 439 S HN 0.407 nan 8.310 nan 0.000 0.567 440 I N 0.860 121.612 120.570 0.304 0.000 4.403 440 I HA 0.176 4.349 4.170 0.005 0.000 0.331 440 I C -0.297 175.941 176.117 0.202 0.000 1.327 440 I CA 0.153 61.571 61.300 0.196 0.000 1.175 440 I CB 1.182 39.230 38.000 0.080 0.000 1.165 440 I HN 0.307 nan 8.210 nan 0.000 0.413 441 T N -0.536 114.113 114.554 0.158 0.000 2.912 441 T HA 0.554 4.907 4.350 0.005 0.000 0.299 441 T C -0.910 173.771 174.700 -0.031 0.000 1.052 441 T CA -0.657 61.482 62.100 0.064 0.000 0.996 441 T CB 2.494 71.410 68.868 0.081 0.000 1.070 441 T HN -0.041 nan 8.240 nan 0.000 0.465 442 L N 3.266 124.501 121.223 0.019 0.000 2.281 442 L HA 0.725 5.068 4.340 0.005 0.000 0.285 442 L C -1.026 175.897 176.870 0.088 0.000 1.074 442 L CA -0.271 54.556 54.840 -0.022 0.000 0.817 442 L CB 0.695 42.558 42.059 -0.327 0.000 1.168 442 L HN 0.643 nan 8.230 nan 0.000 0.434 443 V N 6.795 126.744 119.914 0.058 0.000 2.448 443 V HA 0.481 4.604 4.120 0.005 0.000 0.295 443 V C 0.113 176.298 176.094 0.152 0.000 1.025 443 V CA -0.526 61.818 62.300 0.074 0.000 0.859 443 V CB 1.414 33.155 31.823 -0.137 0.000 0.988 443 V HN 0.698 nan 8.190 nan 0.000 0.431 444 L N 3.596 124.948 121.223 0.214 0.000 2.330 444 L HA 0.676 5.019 4.340 0.005 0.000 0.271 444 L C -0.163 176.813 176.870 0.175 0.000 1.013 444 L CA -0.541 54.418 54.840 0.198 0.000 0.816 444 L CB 2.228 44.416 42.059 0.216 0.000 1.287 444 L HN 0.637 nan 8.230 nan 0.000 0.435 445 E N 1.248 121.524 120.200 0.127 0.000 2.165 445 E HA 0.645 4.998 4.350 0.005 0.000 0.266 445 E C -1.380 175.147 176.600 -0.120 0.000 0.889 445 E CA -0.638 55.767 56.400 0.008 0.000 0.756 445 E CB 1.863 31.627 29.700 0.107 0.000 1.131 445 E HN 0.646 nan 8.360 nan 0.000 0.411 446 A N 4.110 126.786 122.820 -0.240 0.000 2.304 446 A HA 0.600 4.923 4.320 0.005 0.000 0.314 446 A C -0.806 176.621 177.584 -0.262 0.000 1.187 446 A CA -0.568 51.311 52.037 -0.264 0.000 0.810 446 A CB 1.065 19.875 19.000 -0.317 0.000 1.183 446 A HN 0.431 nan 8.150 nan 0.000 0.487 447 V N 0.000 119.804 119.914 -0.183 0.000 2.409 447 V HA 0.000 4.123 4.120 0.005 0.000 0.244 447 V CA 0.000 62.218 62.300 -0.137 0.000 1.235 447 V CB 0.000 31.768 31.823 -0.091 0.000 1.184 447 V HN 0.000 nan 8.190 nan 0.000 0.556