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 2p20_1_A DATA FIRST_RESID 5 DATA SEQUENCE HKHAIPANIA DRCLINPEQY ETKYKQSIND PDTFWGEQGK ILDWITPYQK DATA SEQUENCE VKNTSFAPGN VSIKWYEDGT LNLAANCLDR HLQENGDRTA IIWEGDDTSQ DATA SEQUENCE SKHISYRELH RDVCRFANTL LDLGIKKGDV VAIYMPMVPE AAVAMLACAR DATA SEQUENCE IGAVHSVIFG GFSPEAVAGR IIDSSSRLVI TADEGVRAGR SIPLKKNVDD DATA SEQUENCE ALKNPNVTSV EHVIVLKRTG SDIDWQEGRD LWWRDLIEKA SPEHQPEAMN DATA SEQUENCE AEDPLFILYT SGSTGKPKGV LHTTGGYLVY AATTFKYVFD YHPGDIYWCT DATA SEQUENCE ADVGWVTGHS YLLYGPLACG ATTLMFEGVP NWPTPARMCQ VVDKHQVNIL DATA SEQUENCE YTAPTAIRAL MAEGDKAIEG TDRSSLRILG SVGEPINPEA WEWYWKKIGK DATA SEQUENCE EKCPVVDTWW QTETGGFMIT PLPGAIELKA GSATRPFFGV QPALVDNEGH DATA SEQUENCE PQEGATEGNL VITDSWPGQA RTLFGDHERF EQTYFSTFKN MYFSGDGARR DATA SEQUENCE DEDGYYWITG RVDDVLNVSG HRLGTAEIES ALVAHPKIAE AAVVGIPHAI DATA SEQUENCE KGQAIYAYVT LNHGEEPSPE LYAEVRNWVA KEIGPLATPD VLHWTDSLPK DATA SEQUENCE TRSGKIMRRI LRKIAAGDTS NXXDTSTLAD PGVVEKLLEE KQA 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 5 H HA 0.000 nan 4.556 nan 0.000 0.296 5 H C 0.000 175.205 175.328 -0.206 0.000 0.993 5 H CA 0.000 55.956 56.048 -0.153 0.000 1.023 5 H CB 0.000 29.675 29.762 -0.145 0.000 1.292 6 K N 1.096 121.490 120.400 -0.011 0.000 2.126 6 K HA 0.260 4.580 4.320 0.001 0.000 0.257 6 K C -0.744 175.733 176.600 -0.206 0.000 1.007 6 K CA -0.520 55.713 56.287 -0.090 0.000 0.928 6 K CB 0.519 32.984 32.500 -0.058 0.000 1.013 6 K HN 0.353 nan 8.250 nan 0.000 0.473 7 H N 0.637 119.656 119.070 -0.085 0.000 2.556 7 H HA 0.199 4.755 4.556 -0.000 0.000 0.310 7 H C -0.178 175.169 175.328 0.033 0.000 1.057 7 H CA -0.523 55.497 56.048 -0.046 0.000 1.264 7 H CB 1.457 31.174 29.762 -0.075 0.000 1.404 7 H HN 0.706 nan 8.280 nan 0.000 0.462 8 A N 4.382 127.272 122.820 0.117 0.000 2.466 8 A HA 0.127 4.447 4.320 0.001 0.000 0.238 8 A C 0.615 178.293 177.584 0.157 0.000 1.074 8 A CA -0.336 51.767 52.037 0.109 0.000 0.774 8 A CB -0.045 19.000 19.000 0.074 0.000 1.015 8 A HN 0.736 nan 8.150 nan 0.000 0.498 9 I N 3.505 124.145 120.570 0.117 0.000 2.517 9 I HA 0.136 4.306 4.170 0.001 0.000 0.285 9 I C -1.401 174.779 176.117 0.105 0.000 1.106 9 I CA -1.103 60.264 61.300 0.112 0.000 1.402 9 I CB 0.360 38.408 38.000 0.080 0.000 1.399 9 I HN 0.552 nan 8.210 nan 0.000 0.535 10 P HA 0.118 nan 4.420 nan 0.000 0.272 10 P C 0.339 177.674 177.300 0.059 0.000 1.240 10 P CA -0.416 62.739 63.100 0.091 0.000 0.791 10 P CB 0.935 32.688 31.700 0.088 0.000 0.978 11 A N 1.926 124.773 122.820 0.044 0.000 1.930 11 A HA -0.189 4.131 4.320 0.001 0.000 0.217 11 A C 1.920 179.516 177.584 0.020 0.000 1.175 11 A CA 1.676 53.731 52.037 0.031 0.000 0.627 11 A CB -1.309 17.705 19.000 0.024 0.000 0.815 11 A HN 0.768 nan 8.150 nan 0.000 0.443 12 N N 0.523 119.230 118.700 0.011 0.000 2.223 12 N HA -0.155 4.586 4.740 0.001 0.000 0.185 12 N C 1.455 176.962 175.510 -0.004 0.000 1.016 12 N CA 1.801 54.848 53.050 -0.005 0.000 0.863 12 N CB -0.427 38.048 38.487 -0.019 0.000 0.983 12 N HN 0.394 nan 8.380 nan 0.000 0.429 13 I N 1.611 122.189 120.570 0.015 0.000 2.277 13 I HA 0.004 4.175 4.170 0.001 0.000 0.243 13 I C 2.742 178.884 176.117 0.042 0.000 1.094 13 I CA 0.766 62.082 61.300 0.027 0.000 1.393 13 I CB -1.646 36.381 38.000 0.045 0.000 1.078 13 I HN 0.148 nan 8.210 nan 0.000 0.417 14 A N 0.961 123.808 122.820 0.045 0.000 1.948 14 A HA -0.243 4.077 4.320 0.001 0.000 0.220 14 A C 1.864 179.476 177.584 0.046 0.000 1.177 14 A CA 2.196 54.261 52.037 0.048 0.000 0.636 14 A CB -0.668 18.358 19.000 0.044 0.000 0.815 14 A HN 0.392 nan 8.150 nan 0.000 0.449 15 D N -1.024 119.395 120.400 0.033 0.000 2.269 15 D HA -0.082 4.559 4.640 0.001 0.000 0.208 15 D C 2.023 178.346 176.300 0.038 0.000 0.963 15 D CA 1.412 55.430 54.000 0.029 0.000 0.864 15 D CB -0.145 40.663 40.800 0.014 0.000 0.936 15 D HN 0.831 nan 8.370 nan 0.000 0.505 16 R N 0.150 120.672 120.500 0.036 0.000 2.419 16 R HA 0.145 4.486 4.340 0.001 0.000 0.235 16 R C 0.903 177.324 176.300 0.202 0.000 0.899 16 R CA -0.197 55.936 56.100 0.056 0.000 1.048 16 R CB -0.716 29.495 30.300 -0.148 0.000 1.182 16 R HN 0.147 nan 8.270 nan 0.000 0.544 17 C N 0.678 120.069 119.300 0.152 0.000 2.657 17 C HA 0.275 4.735 4.460 0.001 0.000 0.420 17 C C 1.821 176.918 174.990 0.178 0.000 1.323 17 C CA -0.858 58.270 59.018 0.184 0.000 1.894 17 C CB 0.070 27.883 27.740 0.122 0.000 2.681 17 C HN 0.483 nan 8.230 nan 0.000 0.613 18 L N 1.998 123.332 121.223 0.186 0.000 2.095 18 L HA 0.149 4.489 4.340 0.001 0.000 0.204 18 L C 0.782 177.699 176.870 0.080 0.000 1.080 18 L CA 0.969 55.892 54.840 0.139 0.000 0.759 18 L CB -0.394 41.789 42.059 0.207 0.000 0.914 18 L HN 0.638 nan 8.230 nan 0.000 0.439 19 I N 1.096 121.710 120.570 0.073 0.000 2.389 19 I HA 0.200 4.371 4.170 0.001 0.000 0.288 19 I C -0.412 175.754 176.117 0.081 0.000 0.999 19 I CA -0.711 60.612 61.300 0.038 0.000 1.129 19 I CB 0.924 38.947 38.000 0.038 0.000 1.288 19 I HN 0.164 nan 8.210 nan 0.000 0.444 20 N N 7.796 126.542 118.700 0.076 0.000 2.476 20 N HA 0.487 5.228 4.740 0.001 0.000 0.287 20 N C -2.389 173.184 175.510 0.105 0.000 1.262 20 N CA -1.736 51.361 53.050 0.079 0.000 0.980 20 N CB -0.147 38.377 38.487 0.063 0.000 1.163 20 N HN 0.109 nan 8.380 nan 0.000 0.592 21 P HA -0.076 nan 4.420 nan 0.000 0.215 21 P C 0.582 177.973 177.300 0.152 0.000 1.153 21 P CA 1.565 64.733 63.100 0.112 0.000 0.853 21 P CB 0.171 31.916 31.700 0.076 0.000 0.788 22 E N -0.522 119.738 120.200 0.100 0.000 2.072 22 E HA -0.152 4.198 4.350 0.001 0.000 0.190 22 E C 2.143 178.779 176.600 0.060 0.000 0.982 22 E CA 1.101 57.546 56.400 0.076 0.000 0.803 22 E CB -0.797 28.931 29.700 0.047 0.000 0.755 22 E HN 0.366 nan 8.360 nan 0.000 0.453 23 Q N -0.816 119.018 119.800 0.056 0.000 2.167 23 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 23 Q C 1.786 177.799 176.000 0.021 0.000 0.970 23 Q CA 1.256 57.063 55.803 0.007 0.000 0.855 23 Q CB -0.224 28.510 28.738 -0.007 0.000 0.911 23 Q HN 0.401 nan 8.270 nan 0.000 0.438 24 Y N 1.734 122.070 120.300 0.060 0.000 2.163 24 Y HA -0.207 4.343 4.550 0.001 0.000 0.288 24 Y C 2.025 178.028 175.900 0.172 0.000 1.136 24 Y CA 1.402 59.617 58.100 0.192 0.000 1.147 24 Y CB 0.136 38.668 38.460 0.121 0.000 0.987 24 Y HN -0.026 nan 8.280 nan 0.000 0.509 25 E N -0.082 120.162 120.200 0.074 0.000 2.038 25 E HA -0.169 4.181 4.350 0.001 0.000 0.195 25 E C 2.191 178.739 176.600 -0.086 0.000 1.000 25 E CA 1.980 58.381 56.400 0.002 0.000 0.803 25 E CB -0.829 28.929 29.700 0.098 0.000 0.750 25 E HN 0.524 nan 8.360 nan 0.000 0.448 26 T N 1.834 116.336 114.554 -0.087 0.000 2.674 26 T HA -0.131 4.219 4.350 0.001 0.000 0.265 26 T C 1.918 176.472 174.700 -0.244 0.000 1.039 26 T CA 1.521 63.548 62.100 -0.122 0.000 1.150 26 T CB -0.145 68.670 68.868 -0.088 0.000 0.864 26 T HN 0.150 nan 8.240 nan 0.000 0.427 27 K N -0.031 120.139 120.400 -0.383 0.000 2.097 27 K HA -0.111 4.209 4.320 0.001 0.000 0.206 27 K C 2.178 178.233 176.600 -0.909 0.000 1.049 27 K CA 1.316 57.177 56.287 -0.711 0.000 0.933 27 K CB -0.339 31.430 32.500 -1.219 0.000 0.717 27 K HN 0.371 nan 8.250 nan 0.000 0.442 28 Y N 2.231 122.108 120.300 -0.704 0.000 2.181 28 Y HA -0.223 4.324 4.550 -0.005 0.000 0.288 28 Y C 1.972 177.646 175.900 -0.376 0.000 1.146 28 Y CA 1.559 59.375 58.100 -0.474 0.000 1.164 28 Y CB 0.079 38.192 38.460 -0.578 0.000 0.982 28 Y HN -0.101 nan 8.280 nan 0.000 0.515 29 K N -0.166 120.079 120.400 -0.258 0.000 2.032 29 K HA -0.282 4.039 4.320 0.001 0.000 0.209 29 K C 2.287 178.711 176.600 -0.294 0.000 1.048 29 K CA 1.916 58.081 56.287 -0.204 0.000 0.927 29 K CB -0.276 32.175 32.500 -0.081 0.000 0.712 29 K HN 0.467 nan 8.250 nan 0.000 0.441 30 Q N 0.615 120.215 119.800 -0.332 0.000 2.079 30 Q HA -0.153 4.188 4.340 0.001 0.000 0.200 30 Q C 2.094 177.868 176.000 -0.376 0.000 0.974 30 Q CA 1.941 57.587 55.803 -0.262 0.000 0.840 30 Q CB -0.025 28.627 28.738 -0.143 0.000 0.898 30 Q HN 0.343 nan 8.270 nan 0.000 0.430 31 S N 0.055 115.231 115.700 -0.875 0.000 2.407 31 S HA -0.169 4.302 4.470 0.001 0.000 0.235 31 S C 1.758 176.147 174.600 -0.352 0.000 1.036 31 S CA 1.258 58.881 58.200 -0.960 0.000 1.013 31 S CB -0.267 62.086 63.200 -1.411 0.000 0.820 31 S HN 0.376 nan 8.310 nan 0.000 0.476 32 I N 2.272 122.604 120.570 -0.397 0.000 2.628 32 I HA 0.115 4.285 4.170 0.001 0.000 0.255 32 I C 1.917 177.979 176.117 -0.090 0.000 1.119 32 I CA 0.532 61.699 61.300 -0.223 0.000 1.448 32 I CB -1.488 36.313 38.000 -0.333 0.000 1.133 32 I HN 0.294 nan 8.210 nan 0.000 0.438 33 N N 0.490 119.128 118.700 -0.104 0.000 2.300 33 N HA -0.088 4.652 4.740 0.001 0.000 0.179 33 N C 0.329 175.833 175.510 -0.010 0.000 1.016 33 N CA 0.975 53.999 53.050 -0.043 0.000 0.876 33 N CB 0.203 38.662 38.487 -0.046 0.000 0.979 33 N HN 0.247 nan 8.380 nan 0.000 0.432 34 D N -0.875 119.524 120.400 -0.003 0.000 2.714 34 D HA 0.241 4.881 4.640 0.001 0.000 0.264 34 D C -2.132 174.241 176.300 0.121 0.000 1.231 34 D CA -1.792 52.236 54.000 0.047 0.000 0.802 34 D CB 1.102 41.923 40.800 0.036 0.000 1.319 34 D HN -0.125 nan 8.370 nan 0.000 0.528 35 P HA -0.096 nan 4.420 nan 0.000 0.216 35 P C 0.929 178.487 177.300 0.431 0.000 1.153 35 P CA 0.940 64.281 63.100 0.401 0.000 0.858 35 P CB 0.514 32.446 31.700 0.387 0.000 0.789 36 D N -1.394 119.149 120.400 0.237 0.000 2.097 36 D HA -0.095 4.545 4.640 0.001 0.000 0.197 36 D C 1.882 178.305 176.300 0.204 0.000 0.984 36 D CA 1.447 55.562 54.000 0.191 0.000 0.826 36 D CB -0.950 39.898 40.800 0.081 0.000 0.973 36 D HN 0.147 nan 8.370 nan 0.000 0.460 37 T N 0.579 115.227 114.554 0.156 0.000 2.777 37 T HA -0.121 4.230 4.350 0.001 0.000 0.266 37 T C 1.731 176.500 174.700 0.115 0.000 1.040 37 T CA 0.600 62.771 62.100 0.119 0.000 1.141 37 T CB -0.433 68.481 68.868 0.078 0.000 0.868 37 T HN 0.089 nan 8.240 nan 0.000 0.444 38 F N 0.418 120.359 119.950 -0.015 0.000 2.031 38 F HA -0.055 4.467 4.527 -0.008 0.000 0.295 38 F C 1.880 177.616 175.800 -0.105 0.000 1.133 38 F CA 1.207 59.102 58.000 -0.174 0.000 1.188 38 F CB -0.492 38.276 39.000 -0.387 0.000 0.974 38 F HN 0.183 nan 8.300 nan 0.000 0.473 39 W N 0.342 121.816 121.300 0.291 0.000 2.467 39 W HA 0.060 4.728 4.660 0.013 0.000 0.275 39 W C 2.586 179.284 176.519 0.299 0.000 1.239 39 W CA 0.805 58.323 57.345 0.289 0.000 1.266 39 W CB -1.042 28.688 29.460 0.451 0.000 1.112 39 W HN 0.170 nan 8.180 nan 0.000 0.576 40 G N 0.692 109.753 108.800 0.436 0.000 2.446 40 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 40 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 40 G C 1.246 176.331 174.900 0.309 0.000 1.168 40 G CA 1.280 46.633 45.100 0.422 0.000 0.771 40 G HN 0.297 nan 8.290 nan 0.000 0.551 41 E N -0.601 119.667 120.200 0.114 0.000 2.046 41 E HA -0.088 4.262 4.350 0.001 0.000 0.190 41 E C 2.535 179.138 176.600 0.005 0.000 0.982 41 E CA 0.887 57.296 56.400 0.015 0.000 0.800 41 E CB -0.098 29.549 29.700 -0.088 0.000 0.756 41 E HN 0.300 nan 8.360 nan 0.000 0.449 42 Q N 0.527 120.265 119.800 -0.103 0.000 2.226 42 Q HA -0.074 4.267 4.340 0.001 0.000 0.204 42 Q C 1.956 178.094 176.000 0.230 0.000 0.975 42 Q CA 1.582 57.367 55.803 -0.030 0.000 0.866 42 Q CB -0.682 27.889 28.738 -0.279 0.000 0.915 42 Q HN 0.306 nan 8.270 nan 0.000 0.440 43 G N 0.302 109.306 108.800 0.340 0.000 2.516 43 G HA2 -0.240 3.721 3.960 0.001 0.000 0.221 43 G HA3 -0.240 3.721 3.960 0.001 0.000 0.221 43 G C 1.160 176.285 174.900 0.376 0.000 1.107 43 G CA 0.700 45.958 45.100 0.263 0.000 0.747 43 G HN 0.217 nan 8.290 nan 0.000 0.567 44 K N 0.085 120.645 120.400 0.266 0.000 2.525 44 K HA 0.188 4.508 4.320 0.001 0.000 0.192 44 K C 1.952 178.658 176.600 0.176 0.000 1.029 44 K CA -0.205 56.213 56.287 0.219 0.000 1.029 44 K CB -0.109 32.456 32.500 0.109 0.000 0.814 44 K HN 0.466 nan 8.250 nan 0.000 0.503 45 I N 0.718 121.385 120.570 0.161 0.000 2.423 45 I HA -0.181 3.990 4.170 0.001 0.000 0.254 45 I C 0.317 176.483 176.117 0.082 0.000 1.151 45 I CA 0.816 62.178 61.300 0.103 0.000 1.421 45 I CB 0.266 38.314 38.000 0.081 0.000 1.079 45 I HN 0.011 nan 8.210 nan 0.000 0.431 46 L N 0.465 121.762 121.223 0.123 0.000 2.352 46 L HA 0.327 4.668 4.340 0.001 0.000 0.269 46 L C -0.596 176.280 176.870 0.010 0.000 1.034 46 L CA -1.003 53.825 54.840 -0.021 0.000 0.806 46 L CB 0.766 42.691 42.059 -0.223 0.000 1.244 46 L HN -0.110 nan 8.230 nan 0.000 0.447 47 D N 0.388 120.707 120.400 -0.134 0.000 2.264 47 D HA 0.292 4.932 4.640 0.001 0.000 0.250 47 D C -1.106 175.062 176.300 -0.219 0.000 1.113 47 D CA 0.205 54.161 54.000 -0.073 0.000 0.871 47 D CB 0.853 41.594 40.800 -0.098 0.000 1.167 47 D HN 0.151 nan 8.370 nan 0.000 0.447 48 W N 1.984 123.264 121.300 -0.033 0.000 2.632 48 W HA 0.409 5.070 4.660 0.001 0.000 0.328 48 W C 1.149 177.653 176.519 -0.025 0.000 1.044 48 W CA -0.658 56.676 57.345 -0.020 0.000 1.225 48 W CB 0.798 30.237 29.460 -0.035 0.000 1.396 48 W HN 0.326 nan 8.180 nan 0.000 0.499 49 I N 1.182 121.852 120.570 0.165 0.000 2.162 49 I HA -0.102 4.068 4.170 0.001 0.000 0.238 49 I C 1.490 177.674 176.117 0.112 0.000 1.076 49 I CA 1.212 62.571 61.300 0.099 0.000 1.353 49 I CB -0.298 37.737 38.000 0.059 0.000 1.063 49 I HN 0.381 nan 8.210 nan 0.000 0.408 50 T N 1.401 116.045 114.554 0.151 0.000 2.779 50 T HA 0.396 4.747 4.350 0.001 0.000 0.280 50 T C -2.625 172.155 174.700 0.135 0.000 0.987 50 T CA -2.397 59.771 62.100 0.112 0.000 0.966 50 T CB 1.587 70.504 68.868 0.081 0.000 0.933 50 T HN -0.138 nan 8.240 nan 0.000 0.442 51 P HA 0.090 nan 4.420 nan 0.000 0.266 51 P C -0.375 176.781 177.300 -0.241 0.000 1.195 51 P CA -0.184 62.775 63.100 -0.236 0.000 0.768 51 P CB 0.043 31.580 31.700 -0.272 0.000 0.838 52 Y N 0.868 120.990 120.300 -0.296 0.000 2.357 52 Y HA 0.235 4.784 4.550 -0.001 0.000 0.340 52 Y C 1.473 177.302 175.900 -0.117 0.000 1.260 52 Y CA -0.272 57.707 58.100 -0.202 0.000 1.425 52 Y CB -0.101 38.185 38.460 -0.290 0.000 1.326 52 Y HN 0.387 nan 8.280 nan 0.000 0.580 53 Q N 0.382 120.272 119.800 0.150 0.000 2.586 53 Q HA 0.227 4.567 4.340 0.001 0.000 0.243 53 Q C -0.291 175.790 176.000 0.136 0.000 0.846 53 Q CA -0.162 55.700 55.803 0.099 0.000 0.959 53 Q CB 0.516 29.274 28.738 0.034 0.000 1.227 53 Q HN 0.602 nan 8.270 nan 0.000 0.611 54 K N 0.534 120.994 120.400 0.099 0.000 2.295 54 K HA 0.175 4.496 4.320 0.001 0.000 0.270 54 K C 0.036 176.641 176.600 0.008 0.000 1.011 54 K CA -0.183 56.120 56.287 0.027 0.000 0.953 54 K CB 1.571 34.057 32.500 -0.022 0.000 0.956 54 K HN -0.081 nan 8.250 nan 0.000 0.477 55 V N 1.618 121.475 119.914 -0.095 0.000 3.430 55 V HA 0.053 4.173 4.120 0.001 0.000 0.211 55 V C 0.013 175.818 176.094 -0.481 0.000 1.173 55 V CA 0.188 62.345 62.300 -0.239 0.000 1.310 55 V CB 0.123 31.931 31.823 -0.025 0.000 1.361 55 V HN 0.639 nan 8.190 nan 0.000 0.512 56 K N 1.992 122.066 120.400 -0.542 0.000 2.211 56 K HA 0.327 4.648 4.320 0.001 0.000 0.275 56 K C -0.832 175.349 176.600 -0.699 0.000 1.024 56 K CA -0.119 55.531 56.287 -1.062 0.000 0.887 56 K CB 0.497 32.415 32.500 -0.969 0.000 1.084 56 K HN 0.373 nan 8.250 nan 0.000 0.463 57 N N 3.082 121.327 118.700 -0.758 0.000 2.722 57 N HA 0.116 4.856 4.740 0.001 0.000 0.242 57 N C -2.020 173.253 175.510 -0.394 0.000 1.398 57 N CA -0.331 52.456 53.050 -0.438 0.000 0.755 57 N CB 1.185 39.493 38.487 -0.298 0.000 1.268 57 N HN 0.689 nan 8.380 nan 0.000 0.522 58 T N -1.614 112.713 114.554 -0.378 0.000 2.903 58 T HA 0.797 5.147 4.350 0.001 0.000 0.299 58 T C -0.910 173.655 174.700 -0.225 0.000 1.093 58 T CA -0.756 61.171 62.100 -0.289 0.000 1.002 58 T CB 1.814 70.483 68.868 -0.333 0.000 1.127 58 T HN 0.108 nan 8.240 nan 0.000 0.488 59 S N 0.715 116.336 115.700 -0.130 0.000 2.543 59 S HA 0.568 5.038 4.470 0.001 0.000 0.271 59 S C -0.943 173.732 174.600 0.124 0.000 1.148 59 S CA -0.913 57.240 58.200 -0.078 0.000 0.914 59 S CB 0.856 64.033 63.200 -0.038 0.000 1.096 59 S HN 0.738 nan 8.310 nan 0.000 0.471 60 F N 2.183 122.117 119.950 -0.027 0.000 2.639 60 F HA 0.372 4.900 4.527 0.001 0.000 0.302 60 F C 1.412 177.214 175.800 0.002 0.000 1.097 60 F CA -0.672 57.296 58.000 -0.054 0.000 1.294 60 F CB 0.454 39.592 39.000 0.230 0.000 1.027 60 F HN 0.700 nan 8.300 nan 0.000 0.550 61 A N 1.696 124.613 122.820 0.162 0.000 2.511 61 A HA 0.231 4.551 4.320 0.001 0.000 0.242 61 A C -2.257 175.380 177.584 0.089 0.000 1.069 61 A CA -1.249 50.858 52.037 0.116 0.000 0.763 61 A CB -0.431 18.611 19.000 0.069 0.000 1.001 61 A HN -0.042 nan 8.150 nan 0.000 0.498 62 P HA 0.075 nan 4.420 nan 0.000 0.257 62 P C 1.145 178.479 177.300 0.055 0.000 1.162 62 P CA 2.218 65.362 63.100 0.074 0.000 0.762 62 P CB 0.232 31.973 31.700 0.068 0.000 0.753 63 G N 3.279 112.111 108.800 0.053 0.000 2.212 63 G HA2 -0.270 3.690 3.960 0.001 0.000 0.266 63 G HA3 -0.270 3.690 3.960 0.001 0.000 0.266 63 G C 0.452 175.387 174.900 0.057 0.000 0.978 63 G CA -0.127 45.005 45.100 0.054 0.000 0.632 63 G HN 0.622 nan 8.290 nan 0.000 0.537 64 N N 0.189 118.919 118.700 0.050 0.000 2.622 64 N HA 0.262 5.002 4.740 0.001 0.000 0.304 64 N C -0.054 175.481 175.510 0.041 0.000 1.844 64 N CA -0.086 52.991 53.050 0.045 0.000 0.886 64 N CB 1.689 40.191 38.487 0.025 0.000 1.366 64 N HN 0.158 nan 8.380 nan 0.000 0.491 65 V N 1.368 121.305 119.914 0.038 0.000 2.425 65 V HA 0.095 4.216 4.120 0.001 0.000 0.276 65 V C 0.553 176.735 176.094 0.146 0.000 1.017 65 V CA 0.515 62.791 62.300 -0.039 0.000 1.062 65 V CB 0.556 32.174 31.823 -0.341 0.000 0.997 65 V HN 0.265 nan 8.190 nan 0.000 0.476 66 S N 6.397 122.143 115.700 0.078 0.000 2.720 66 S HA 0.680 5.150 4.470 0.001 0.000 0.278 66 S C -1.020 173.591 174.600 0.018 0.000 1.172 66 S CA -0.555 57.674 58.200 0.048 0.000 1.019 66 S CB 0.719 63.909 63.200 -0.017 0.000 1.049 66 S HN 0.504 nan 8.310 nan 0.000 0.483 67 I N 4.646 125.236 120.570 0.033 0.000 2.382 67 I HA 0.540 4.711 4.170 0.001 0.000 0.286 67 I C -0.352 175.743 176.117 -0.036 0.000 1.002 67 I CA -0.333 60.975 61.300 0.013 0.000 1.135 67 I CB 1.739 39.803 38.000 0.106 0.000 1.288 67 I HN 0.423 nan 8.210 nan 0.000 0.448 68 K N 5.252 125.558 120.400 -0.155 0.000 2.535 68 K HA 0.513 4.833 4.320 0.001 0.000 0.251 68 K C -1.993 174.401 176.600 -0.342 0.000 0.942 68 K CA -0.710 55.493 56.287 -0.139 0.000 0.798 68 K CB 2.304 34.723 32.500 -0.134 0.000 1.267 68 K HN 0.359 nan 8.250 nan 0.000 0.434 69 W N 2.165 123.347 121.300 -0.196 0.000 2.998 69 W HA 0.293 4.952 4.660 -0.002 0.000 0.335 69 W C -0.442 175.932 176.519 -0.243 0.000 1.110 69 W CA -0.221 56.890 57.345 -0.391 0.000 1.230 69 W CB 0.832 29.997 29.460 -0.492 0.000 1.405 69 W HN 0.663 nan 8.180 nan 0.000 0.493 70 Y N 0.357 120.657 120.300 0.000 0.000 3.825 70 Y HA -0.399 4.150 4.550 -0.001 0.000 0.221 70 Y C 1.968 177.885 175.900 0.028 0.000 1.195 70 Y CA 1.066 59.059 58.100 -0.179 0.000 1.699 70 Y CB -1.336 36.954 38.460 -0.284 0.000 1.531 70 Y HN 0.630 nan 8.280 nan 0.000 0.640 71 E N 0.941 121.209 120.200 0.113 0.000 2.153 71 E HA -0.220 4.131 4.350 0.001 0.000 0.194 71 E C 1.224 177.904 176.600 0.134 0.000 0.988 71 E CA 1.658 58.125 56.400 0.112 0.000 0.811 71 E CB -0.132 29.581 29.700 0.022 0.000 0.746 71 E HN 0.669 nan 8.360 nan 0.000 0.466 72 D N 0.989 121.466 120.400 0.129 0.000 2.325 72 D HA 0.128 4.768 4.640 0.001 0.000 0.225 72 D C 0.591 176.989 176.300 0.163 0.000 1.096 72 D CA 0.140 54.210 54.000 0.117 0.000 0.844 72 D CB 0.093 40.938 40.800 0.075 0.000 0.925 72 D HN 0.198 nan 8.370 nan 0.000 0.513 73 G N -0.316 108.638 108.800 0.256 0.000 2.434 73 G HA2 0.560 4.520 3.960 0.001 0.000 0.330 73 G HA3 0.560 4.520 3.960 0.001 0.000 0.330 73 G C -0.384 174.799 174.900 0.472 0.000 1.155 73 G CA -0.525 44.794 45.100 0.364 0.000 0.917 73 G HN 0.208 nan 8.290 nan 0.000 0.493 74 T N -1.592 113.250 114.554 0.480 0.000 2.906 74 T HA 0.773 5.124 4.350 0.001 0.000 0.295 74 T C -0.384 174.451 174.700 0.226 0.000 1.061 74 T CA -0.623 61.655 62.100 0.297 0.000 1.000 74 T CB 1.633 70.599 68.868 0.165 0.000 1.103 74 T HN 1.370 nan 8.240 nan 0.000 0.486 75 L N -0.829 120.399 121.223 0.007 0.000 2.999 75 L HA 0.791 5.132 4.340 0.001 0.000 0.274 75 L C -1.911 174.878 176.870 -0.135 0.000 1.044 75 L CA -1.288 53.442 54.840 -0.183 0.000 0.943 75 L CB 1.919 43.608 42.059 -0.617 0.000 1.522 75 L HN 0.783 nan 8.230 nan 0.000 0.400 76 N N -0.198 118.410 118.700 -0.153 0.000 2.399 76 N HA 0.435 5.175 4.740 0.001 0.000 0.284 76 N C 0.233 175.671 175.510 -0.120 0.000 1.025 76 N CA -0.744 52.250 53.050 -0.093 0.000 0.885 76 N CB 2.231 40.698 38.487 -0.032 0.000 1.339 76 N HN 0.854 nan 8.380 nan 0.000 0.487 77 L N 4.034 125.190 121.223 -0.112 0.000 2.012 77 L HA -0.049 4.291 4.340 0.001 0.000 0.210 77 L C 1.983 178.821 176.870 -0.053 0.000 1.073 77 L CA 2.164 56.931 54.840 -0.122 0.000 0.748 77 L CB -0.236 41.721 42.059 -0.170 0.000 0.891 77 L HN 0.753 nan 8.230 nan 0.000 0.431 78 A N -0.355 122.462 122.820 -0.006 0.000 1.933 78 A HA -0.121 4.199 4.320 0.001 0.000 0.218 78 A C 2.436 180.064 177.584 0.073 0.000 1.175 78 A CA 1.560 53.632 52.037 0.059 0.000 0.628 78 A CB -0.997 18.044 19.000 0.069 0.000 0.814 78 A HN 0.605 nan 8.150 nan 0.000 0.444 79 A N 0.221 123.059 122.820 0.030 0.000 1.933 79 A HA -0.191 4.129 4.320 0.001 0.000 0.218 79 A C 1.940 179.484 177.584 -0.066 0.000 1.175 79 A CA 1.583 53.624 52.037 0.007 0.000 0.628 79 A CB -0.612 18.377 19.000 -0.020 0.000 0.814 79 A HN 0.602 nan 8.150 nan 0.000 0.444 80 N N -0.720 117.926 118.700 -0.091 0.000 2.331 80 N HA -0.098 4.642 4.740 0.001 0.000 0.180 80 N C 1.263 176.751 175.510 -0.036 0.000 1.019 80 N CA 1.403 54.373 53.050 -0.134 0.000 0.881 80 N CB -0.191 38.206 38.487 -0.149 0.000 0.972 80 N HN 0.510 nan 8.380 nan 0.000 0.435 81 C N -0.381 118.974 119.300 0.092 0.000 2.780 81 C HA 0.334 4.795 4.460 0.001 0.000 0.267 81 C C 2.154 177.419 174.990 0.458 0.000 1.266 81 C CA -0.184 58.998 59.018 0.273 0.000 1.709 81 C CB -0.500 27.370 27.740 0.217 0.000 1.975 81 C HN 0.319 nan 8.230 nan 0.000 0.582 82 L N -0.935 120.477 121.223 0.315 0.000 2.865 82 L HA 0.237 4.577 4.340 0.001 0.000 0.167 82 L C 1.579 178.551 176.870 0.170 0.000 1.135 82 L CA 0.281 55.354 54.840 0.389 0.000 0.895 82 L CB -0.769 41.517 42.059 0.378 0.000 1.643 82 L HN -0.112 nan 8.230 nan 0.000 0.518 83 D N 1.260 121.713 120.400 0.087 0.000 2.123 83 D HA -0.187 4.454 4.640 0.001 0.000 0.196 83 D C 1.990 178.198 176.300 -0.153 0.000 0.992 83 D CA 1.537 55.496 54.000 -0.067 0.000 0.833 83 D CB -0.144 40.672 40.800 0.026 0.000 0.954 83 D HN 0.315 nan 8.370 nan 0.000 0.455 84 R N -0.130 120.226 120.500 -0.240 0.000 2.235 84 R HA -0.014 4.326 4.340 0.001 0.000 0.213 84 R C 1.176 177.264 176.300 -0.352 0.000 1.059 84 R CA 0.976 56.891 56.100 -0.309 0.000 0.997 84 R CB -0.392 29.692 30.300 -0.361 0.000 0.884 84 R HN 0.324 nan 8.270 nan 0.000 0.462 85 H N 0.605 119.577 119.070 -0.163 0.000 2.544 85 H HA 0.141 4.697 4.556 0.000 0.000 0.269 85 H C 1.981 177.188 175.328 -0.202 0.000 0.970 85 H CA 0.486 56.369 56.048 -0.275 0.000 1.219 85 H CB 0.228 29.607 29.762 -0.638 0.000 1.421 85 H HN 0.186 nan 8.280 nan 0.000 0.555 86 L N 0.511 121.695 121.223 -0.066 0.000 2.017 86 L HA -0.210 4.131 4.340 0.001 0.000 0.208 86 L C 2.791 179.638 176.870 -0.039 0.000 1.073 86 L CA 1.342 56.148 54.840 -0.057 0.000 0.745 86 L CB -0.441 41.528 42.059 -0.150 0.000 0.894 86 L HN 0.242 nan 8.230 nan 0.000 0.432 87 Q N -0.170 119.600 119.800 -0.049 0.000 2.077 87 Q HA -0.236 4.105 4.340 0.001 0.000 0.206 87 Q C 1.846 177.839 176.000 -0.012 0.000 0.989 87 Q CA 1.714 57.500 55.803 -0.029 0.000 0.853 87 Q CB 0.208 28.928 28.738 -0.030 0.000 0.907 87 Q HN 0.465 nan 8.270 nan 0.000 0.418 88 E N -0.790 119.403 120.200 -0.011 0.000 2.389 88 E HA 0.048 4.399 4.350 0.001 0.000 0.199 88 E C 0.295 176.900 176.600 0.009 0.000 0.978 88 E CA 0.422 56.823 56.400 0.002 0.000 0.912 88 E CB 0.361 30.064 29.700 0.005 0.000 0.907 88 E HN 0.391 nan 8.360 nan 0.000 0.494 89 N N -0.368 118.330 118.700 -0.003 0.000 2.299 89 N HA 0.103 4.843 4.740 0.001 0.000 0.246 89 N C 1.234 176.773 175.510 0.049 0.000 1.254 89 N CA 0.182 53.233 53.050 0.001 0.000 0.879 89 N CB 1.206 39.650 38.487 -0.073 0.000 1.214 89 N HN 0.044 nan 8.380 nan 0.000 0.510 90 G N 0.586 109.422 108.800 0.060 0.000 2.475 90 G HA2 -0.250 3.710 3.960 0.001 0.000 0.220 90 G HA3 -0.250 3.710 3.960 0.001 0.000 0.220 90 G C 1.047 176.038 174.900 0.151 0.000 1.125 90 G CA 0.988 46.156 45.100 0.112 0.000 0.755 90 G HN 0.234 nan 8.290 nan 0.000 0.565 91 D N -0.745 119.725 120.400 0.117 0.000 2.350 91 D HA 0.059 4.700 4.640 0.001 0.000 0.213 91 D C 1.345 177.728 176.300 0.137 0.000 1.031 91 D CA -0.158 53.909 54.000 0.111 0.000 0.861 91 D CB 0.181 41.026 40.800 0.076 0.000 0.926 91 D HN 0.262 nan 8.370 nan 0.000 0.520 92 R N 1.080 121.687 120.500 0.179 0.000 2.590 92 R HA 0.085 4.426 4.340 0.001 0.000 0.274 92 R C -0.387 176.071 176.300 0.263 0.000 1.061 92 R CA 0.103 56.334 56.100 0.218 0.000 1.081 92 R CB 0.416 30.851 30.300 0.224 0.000 0.984 92 R HN -0.186 nan 8.270 nan 0.000 0.448 93 T N 3.917 118.583 114.554 0.188 0.000 2.853 93 T HA 0.122 4.472 4.350 0.001 0.000 0.298 93 T C 0.996 175.690 174.700 -0.010 0.000 0.978 93 T CA 0.162 62.323 62.100 0.101 0.000 1.152 93 T CB 1.425 70.378 68.868 0.141 0.000 0.914 93 T HN 0.749 nan 8.240 nan 0.000 0.539 94 A N 4.289 126.926 122.820 -0.304 0.000 1.887 94 A HA 0.364 4.684 4.320 0.001 0.000 0.212 94 A C 0.744 178.138 177.584 -0.317 0.000 1.198 94 A CA 0.557 52.172 52.037 -0.703 0.000 0.628 94 A CB 0.085 18.381 19.000 -1.172 0.000 0.847 94 A HN 0.763 nan 8.150 nan 0.000 0.449 95 I N 0.288 120.724 120.570 -0.224 0.000 2.499 95 I HA 0.347 4.517 4.170 0.001 0.000 0.288 95 I C -1.315 174.696 176.117 -0.177 0.000 1.048 95 I CA -0.416 60.791 61.300 -0.155 0.000 1.062 95 I CB 2.152 40.077 38.000 -0.125 0.000 1.238 95 I HN 0.087 nan 8.210 nan 0.000 0.426 96 I N 5.220 125.641 120.570 -0.249 0.000 2.325 96 I HA 0.149 4.320 4.170 0.001 0.000 0.291 96 I C -0.904 175.037 176.117 -0.294 0.000 1.019 96 I CA -0.160 60.859 61.300 -0.470 0.000 1.302 96 I CB 0.711 38.280 38.000 -0.717 0.000 1.401 96 I HN 0.558 nan 8.210 nan 0.000 0.485 97 W N 7.858 128.936 121.300 -0.370 0.000 2.349 97 W HA 0.438 5.098 4.660 0.000 0.000 0.309 97 W C -0.295 176.107 176.519 -0.195 0.000 1.083 97 W CA -0.641 56.561 57.345 -0.237 0.000 1.224 97 W CB 1.105 30.466 29.460 -0.165 0.000 1.256 97 W HN 0.358 nan 8.180 nan 0.000 0.461 98 E N 4.418 124.139 120.200 -0.799 0.000 2.129 98 E HA 0.544 4.894 4.350 0.001 0.000 0.268 98 E C 0.227 176.250 176.600 -0.963 0.000 0.900 98 E CA -0.607 55.420 56.400 -0.622 0.000 0.755 98 E CB 1.100 30.632 29.700 -0.279 0.000 1.117 98 E HN 0.537 nan 8.360 nan 0.000 0.410 99 G N 3.094 111.270 108.800 -1.040 0.000 2.539 99 G HA2 0.006 3.967 3.960 0.001 0.000 0.258 99 G HA3 0.006 3.967 3.960 0.001 0.000 0.258 99 G C 0.552 175.277 174.900 -0.292 0.000 1.202 99 G CA -0.121 44.430 45.100 -0.914 0.000 0.851 99 G HN 0.753 nan 8.290 nan 0.000 0.556 100 D N -0.563 119.706 120.400 -0.220 0.000 2.116 100 D HA -0.167 4.473 4.640 0.001 0.000 0.193 100 D C 0.719 177.116 176.300 0.161 0.000 0.998 100 D CA 1.134 55.098 54.000 -0.060 0.000 0.836 100 D CB 0.107 40.828 40.800 -0.131 0.000 0.951 100 D HN 0.300 nan 8.370 nan 0.000 0.449 101 D N -0.858 119.598 120.400 0.092 0.000 2.325 101 D HA 0.023 4.663 4.640 0.001 0.000 0.251 101 D C 0.701 177.023 176.300 0.037 0.000 1.196 101 D CA 0.195 54.264 54.000 0.116 0.000 0.866 101 D CB 1.251 42.106 40.800 0.092 0.000 1.101 101 D HN -0.063 nan 8.370 nan 0.000 0.476 102 T N 1.719 116.301 114.554 0.046 0.000 2.929 102 T HA -0.161 4.189 4.350 0.001 0.000 0.271 102 T C 1.820 176.512 174.700 -0.013 0.000 1.085 102 T CA 1.827 63.926 62.100 -0.002 0.000 1.125 102 T CB -0.039 68.817 68.868 -0.019 0.000 0.874 102 T HN 0.501 nan 8.240 nan 0.000 0.494 103 S N 0.306 116.010 115.700 0.007 0.000 2.469 103 S HA -0.003 4.468 4.470 0.001 0.000 0.238 103 S C 0.802 175.421 174.600 0.032 0.000 0.998 103 S CA 0.336 58.546 58.200 0.015 0.000 0.957 103 S CB -0.281 62.933 63.200 0.022 0.000 0.764 103 S HN 0.642 nan 8.310 nan 0.000 0.514 104 Q N 1.826 121.639 119.800 0.022 0.000 2.347 104 Q HA 0.591 4.931 4.340 0.001 0.000 0.262 104 Q C -0.770 175.222 176.000 -0.014 0.000 0.980 104 Q CA -0.417 55.424 55.803 0.064 0.000 0.867 104 Q CB 1.698 30.507 28.738 0.118 0.000 1.242 104 Q HN 0.557 nan 8.270 nan 0.000 0.453 105 S N 2.112 117.884 115.700 0.120 0.000 2.570 105 S HA 0.684 5.154 4.470 0.001 0.000 0.270 105 S C -1.170 173.600 174.600 0.283 0.000 1.149 105 S CA -1.034 57.246 58.200 0.133 0.000 0.837 105 S CB 2.264 65.525 63.200 0.101 0.000 1.124 105 S HN 0.456 nan 8.310 nan 0.000 0.465 106 K N 0.390 120.966 120.400 0.294 0.000 2.469 106 K HA 0.483 4.804 4.320 0.001 0.000 0.254 106 K C -1.931 174.739 176.600 0.116 0.000 0.939 106 K CA -0.703 55.725 56.287 0.234 0.000 0.812 106 K CB 1.692 34.310 32.500 0.196 0.000 1.301 106 K HN 0.747 nan 8.250 nan 0.000 0.433 107 H N 1.523 120.620 119.070 0.045 0.000 2.638 107 H HA 0.377 4.933 4.556 0.001 0.000 0.317 107 H C -0.801 174.529 175.328 0.005 0.000 1.006 107 H CA -0.348 55.708 56.048 0.014 0.000 1.222 107 H CB 0.465 30.240 29.762 0.021 0.000 1.419 107 H HN 0.277 nan 8.280 nan 0.000 0.489 108 I N 3.080 123.669 120.570 0.031 0.000 2.330 108 I HA 0.149 4.320 4.170 0.001 0.000 0.286 108 I C 0.410 176.509 176.117 -0.031 0.000 1.025 108 I CA -0.547 60.750 61.300 -0.005 0.000 1.197 108 I CB 0.798 38.763 38.000 -0.057 0.000 1.358 108 I HN 0.580 nan 8.210 nan 0.000 0.467 109 S N 4.697 120.411 115.700 0.023 0.000 2.589 109 S HA 0.110 4.581 4.470 0.001 0.000 0.265 109 S C 1.109 175.717 174.600 0.014 0.000 1.342 109 S CA -0.045 58.184 58.200 0.048 0.000 1.005 109 S CB 0.510 63.772 63.200 0.102 0.000 0.909 109 S HN 0.523 nan 8.310 nan 0.000 0.555 110 Y N 0.757 121.094 120.300 0.062 0.000 2.165 110 Y HA -0.121 4.430 4.550 0.001 0.000 0.286 110 Y C 2.944 178.905 175.900 0.102 0.000 1.155 110 Y CA 2.123 60.270 58.100 0.077 0.000 1.164 110 Y CB -0.303 38.202 38.460 0.075 0.000 0.978 110 Y HN 0.717 nan 8.280 nan 0.000 0.513 111 R N 0.582 121.219 120.500 0.228 0.000 2.073 111 R HA -0.185 4.155 4.340 0.001 0.000 0.234 111 R C 1.995 178.397 176.300 0.170 0.000 1.134 111 R CA 1.990 58.193 56.100 0.171 0.000 0.952 111 R CB -0.216 30.155 30.300 0.118 0.000 0.850 111 R HN 0.355 nan 8.270 nan 0.000 0.433 112 E N 0.249 120.519 120.200 0.117 0.000 2.058 112 E HA -0.245 4.106 4.350 0.001 0.000 0.194 112 E C 1.947 178.593 176.600 0.077 0.000 0.997 112 E CA 1.599 58.049 56.400 0.083 0.000 0.801 112 E CB -0.201 29.529 29.700 0.051 0.000 0.746 112 E HN 0.237 nan 8.360 nan 0.000 0.450 113 L N 0.741 122.000 121.223 0.060 0.000 2.056 113 L HA -0.192 4.149 4.340 0.001 0.000 0.207 113 L C 2.380 179.310 176.870 0.101 0.000 1.078 113 L CA 1.902 56.764 54.840 0.036 0.000 0.749 113 L CB -0.579 41.455 42.059 -0.041 0.000 0.901 113 L HN 0.261 nan 8.230 nan 0.000 0.433 114 H N 0.193 119.307 119.070 0.073 0.000 2.319 114 H HA -0.261 4.296 4.556 0.001 0.000 0.297 114 H C 2.409 177.783 175.328 0.075 0.000 1.097 114 H CA 2.299 58.402 56.048 0.092 0.000 1.285 114 H CB 0.047 29.880 29.762 0.118 0.000 1.368 114 H HN 0.376 nan 8.280 nan 0.000 0.495 115 R N 0.163 120.724 120.500 0.101 0.000 2.083 115 R HA -0.141 4.200 4.340 0.001 0.000 0.237 115 R C 1.878 178.171 176.300 -0.011 0.000 1.137 115 R CA 2.137 58.259 56.100 0.036 0.000 0.951 115 R CB -0.128 30.230 30.300 0.097 0.000 0.851 115 R HN 0.313 nan 8.270 nan 0.000 0.434 116 D N -0.322 120.093 120.400 0.025 0.000 2.178 116 D HA -0.092 4.548 4.640 0.001 0.000 0.202 116 D C 1.894 178.220 176.300 0.043 0.000 0.974 116 D CA 0.835 54.863 54.000 0.047 0.000 0.841 116 D CB 0.039 40.884 40.800 0.075 0.000 0.953 116 D HN 0.092 nan 8.370 nan 0.000 0.478 117 V N 0.290 120.206 119.914 0.003 0.000 2.358 117 V HA -0.262 3.859 4.120 0.001 0.000 0.246 117 V C 2.618 178.669 176.094 -0.073 0.000 1.047 117 V CA 1.218 63.517 62.300 -0.002 0.000 1.035 117 V CB -0.415 31.404 31.823 -0.006 0.000 0.658 117 V HN 0.303 nan 8.190 nan 0.000 0.452 118 C N -0.272 118.929 119.300 -0.166 0.000 2.432 118 C HA -0.137 4.324 4.460 0.001 0.000 0.277 118 C C 2.882 177.810 174.990 -0.103 0.000 1.249 118 C CA 0.829 59.747 59.018 -0.167 0.000 1.725 118 C CB -1.192 26.442 27.740 -0.176 0.000 2.028 118 C HN 0.495 nan 8.230 nan 0.000 0.477 119 R N -0.452 120.017 120.500 -0.052 0.000 2.081 119 R HA -0.140 4.201 4.340 0.001 0.000 0.235 119 R C 2.092 178.349 176.300 -0.073 0.000 1.131 119 R CA 1.595 57.671 56.100 -0.040 0.000 0.960 119 R CB -0.635 29.660 30.300 -0.007 0.000 0.856 119 R HN 0.527 nan 8.270 nan 0.000 0.436 120 F N 1.292 121.118 119.950 -0.206 0.000 2.259 120 F HA -0.034 4.493 4.527 0.001 0.000 0.298 120 F C 2.310 177.967 175.800 -0.237 0.000 1.088 120 F CA 0.832 58.667 58.000 -0.274 0.000 1.358 120 F CB -0.286 38.544 39.000 -0.284 0.000 1.040 120 F HN -0.018 nan 8.300 nan 0.000 0.505 121 A N 0.441 123.136 122.820 -0.208 0.000 1.883 121 A HA -0.242 4.079 4.320 0.001 0.000 0.217 121 A C 2.168 179.548 177.584 -0.339 0.000 1.186 121 A CA 2.044 53.870 52.037 -0.352 0.000 0.624 121 A CB -0.944 17.685 19.000 -0.618 0.000 0.822 121 A HN 0.440 nan 8.150 nan 0.000 0.444 122 N N -0.385 118.166 118.700 -0.248 0.000 2.120 122 N HA -0.109 4.632 4.740 0.001 0.000 0.188 122 N C 1.769 177.151 175.510 -0.214 0.000 1.024 122 N CA 1.846 54.816 53.050 -0.133 0.000 0.852 122 N CB -0.845 37.613 38.487 -0.048 0.000 1.003 122 N HN 0.500 nan 8.380 nan 0.000 0.424 123 T N 2.107 116.463 114.554 -0.330 0.000 2.665 123 T HA -0.070 4.280 4.350 0.001 0.000 0.268 123 T C 2.149 176.566 174.700 -0.472 0.000 1.035 123 T CA 0.815 62.654 62.100 -0.435 0.000 1.151 123 T CB -0.256 68.227 68.868 -0.641 0.000 0.862 123 T HN 0.150 nan 8.240 nan 0.000 0.438 124 L N 0.190 121.071 121.223 -0.570 0.000 2.017 124 L HA -0.041 4.300 4.340 0.001 0.000 0.208 124 L C 2.492 179.225 176.870 -0.228 0.000 1.073 124 L CA 1.098 55.686 54.840 -0.419 0.000 0.745 124 L CB -0.548 41.278 42.059 -0.389 0.000 0.894 124 L HN 0.254 nan 8.230 nan 0.000 0.432 125 L N -0.516 120.598 121.223 -0.182 0.000 2.046 125 L HA -0.244 4.097 4.340 0.001 0.000 0.208 125 L C 2.084 178.899 176.870 -0.090 0.000 1.077 125 L CA 1.115 55.897 54.840 -0.097 0.000 0.747 125 L CB -0.592 41.440 42.059 -0.045 0.000 0.896 125 L HN 0.273 nan 8.230 nan 0.000 0.432 126 D N -0.387 119.942 120.400 -0.118 0.000 2.269 126 D HA -0.103 4.538 4.640 0.001 0.000 0.208 126 D C 1.932 178.168 176.300 -0.107 0.000 0.963 126 D CA 0.743 54.682 54.000 -0.101 0.000 0.864 126 D CB 0.093 40.827 40.800 -0.110 0.000 0.936 126 D HN 0.101 nan 8.370 nan 0.000 0.505 127 L N -0.437 120.702 121.223 -0.140 0.000 2.554 127 L HA 0.207 4.548 4.340 0.001 0.000 0.226 127 L C 1.527 178.369 176.870 -0.048 0.000 1.137 127 L CA 0.861 55.623 54.840 -0.129 0.000 0.863 127 L CB -0.456 41.490 42.059 -0.188 0.000 0.985 127 L HN 0.213 nan 8.230 nan 0.000 0.451 128 G N -0.999 107.771 108.800 -0.049 0.000 2.159 128 G HA2 -0.201 3.759 3.960 0.001 0.000 0.227 128 G HA3 -0.201 3.759 3.960 0.001 0.000 0.227 128 G C 0.384 175.272 174.900 -0.020 0.000 0.986 128 G CA -0.025 45.062 45.100 -0.022 0.000 0.651 128 G HN 0.129 nan 8.290 nan 0.000 0.523 129 I N 1.246 121.792 120.570 -0.039 0.000 2.588 129 I HA 0.313 4.483 4.170 0.001 0.000 0.283 129 I C 0.784 176.888 176.117 -0.022 0.000 1.119 129 I CA 0.468 61.750 61.300 -0.030 0.000 1.419 129 I CB 0.746 38.716 38.000 -0.050 0.000 1.394 129 I HN 0.124 nan 8.210 nan 0.000 0.562 130 K N 4.550 124.947 120.400 -0.005 0.000 2.350 130 K HA 0.350 4.670 4.320 0.001 0.000 0.241 130 K C -0.313 176.293 176.600 0.011 0.000 0.994 130 K CA -1.163 55.126 56.287 0.002 0.000 0.839 130 K CB 2.182 34.685 32.500 0.005 0.000 1.244 130 K HN 0.369 nan 8.250 nan 0.000 0.443 131 K N 0.334 120.743 120.400 0.014 0.000 2.530 131 K HA -0.099 4.222 4.320 0.001 0.000 0.280 131 K C 0.709 177.321 176.600 0.021 0.000 1.004 131 K CA 1.660 57.958 56.287 0.018 0.000 1.071 131 K CB -0.182 32.329 32.500 0.019 0.000 0.876 131 K HN 0.793 nan 8.250 nan 0.000 0.487 132 G N 3.102 111.917 108.800 0.024 0.000 2.268 132 G HA2 -0.230 3.731 3.960 0.001 0.000 0.240 132 G HA3 -0.230 3.731 3.960 0.001 0.000 0.240 132 G C -0.412 174.516 174.900 0.047 0.000 1.010 132 G CA 0.197 45.319 45.100 0.036 0.000 0.618 132 G HN 0.747 nan 8.290 nan 0.000 0.516 133 D N 0.947 121.368 120.400 0.036 0.000 2.455 133 D HA 0.398 5.039 4.640 0.001 0.000 0.241 133 D C 0.840 177.160 176.300 0.033 0.000 1.138 133 D CA 0.102 54.124 54.000 0.037 0.000 0.877 133 D CB 1.514 42.329 40.800 0.025 0.000 1.187 133 D HN 0.259 nan 8.370 nan 0.000 0.451 134 V N 2.761 122.688 119.914 0.022 0.000 2.488 134 V HA 0.164 4.284 4.120 0.001 0.000 0.277 134 V C 0.453 176.564 176.094 0.029 0.000 1.046 134 V CA -0.528 61.770 62.300 -0.003 0.000 0.986 134 V CB 1.348 33.117 31.823 -0.089 0.000 0.989 134 V HN 0.208 nan 8.190 nan 0.000 0.475 135 V N 4.379 124.335 119.914 0.069 0.000 2.417 135 V HA 0.667 4.788 4.120 0.001 0.000 0.291 135 V C 0.468 176.631 176.094 0.116 0.000 1.024 135 V CA -0.654 61.702 62.300 0.093 0.000 0.861 135 V CB 1.603 33.501 31.823 0.125 0.000 0.985 135 V HN 0.978 nan 8.190 nan 0.000 0.436 136 A N 6.618 129.489 122.820 0.085 0.000 2.320 136 A HA 0.779 5.099 4.320 0.001 0.000 0.287 136 A C -0.413 177.238 177.584 0.111 0.000 1.181 136 A CA -0.234 51.855 52.037 0.087 0.000 0.831 136 A CB -0.004 19.014 19.000 0.029 0.000 1.102 136 A HN 0.794 nan 8.150 nan 0.000 0.513 137 I N 2.565 123.210 120.570 0.125 0.000 2.382 137 I HA 0.218 4.388 4.170 0.001 0.000 0.286 137 I C -1.113 175.093 176.117 0.149 0.000 1.002 137 I CA -0.296 61.067 61.300 0.106 0.000 1.135 137 I CB 1.406 39.424 38.000 0.031 0.000 1.288 137 I HN 0.715 nan 8.210 nan 0.000 0.448 138 Y N 8.285 128.568 120.300 -0.029 0.000 2.787 138 Y HA 0.541 5.092 4.550 0.001 0.000 0.352 138 Y C -0.975 174.869 175.900 -0.093 0.000 1.027 138 Y CA -0.814 57.250 58.100 -0.059 0.000 1.219 138 Y CB 0.485 38.916 38.460 -0.049 0.000 1.110 138 Y HN 0.405 nan 8.280 nan 0.000 0.614 139 M N 5.379 124.832 119.600 -0.245 0.000 2.644 139 M HA 0.524 5.004 4.480 0.001 0.000 0.304 139 M C -2.527 173.580 176.300 -0.321 0.000 1.215 139 M CA -1.958 53.180 55.300 -0.270 0.000 0.871 139 M CB 2.040 34.517 32.600 -0.206 0.000 1.740 139 M HN 0.308 nan 8.290 nan 0.000 0.464 140 P HA 0.358 nan 4.420 nan 0.000 0.293 140 P C -0.581 176.619 177.300 -0.168 0.000 1.304 140 P CA -0.514 62.442 63.100 -0.240 0.000 0.767 140 P CB 0.617 32.190 31.700 -0.211 0.000 1.247 141 M N 0.927 120.474 119.600 -0.090 0.000 3.237 141 M HA 0.165 4.645 4.480 0.001 0.000 0.266 141 M C -0.177 176.196 176.300 0.122 0.000 1.456 141 M CA -0.122 55.179 55.300 0.001 0.000 1.593 141 M CB -1.342 31.277 32.600 0.032 0.000 1.129 141 M HN 0.123 nan 8.290 nan 0.000 0.547 142 V N 0.527 120.385 119.914 -0.093 0.000 2.914 142 V HA 0.577 4.697 4.120 0.001 0.000 0.314 142 V C -2.390 173.441 176.094 -0.437 0.000 1.084 142 V CA -1.783 60.296 62.300 -0.368 0.000 0.963 142 V CB 1.701 33.225 31.823 -0.498 0.000 1.025 142 V HN 0.212 nan 8.190 nan 0.000 0.432 143 P HA -0.069 nan 4.420 nan 0.000 0.218 143 P C 1.191 178.264 177.300 -0.379 0.000 1.148 143 P CA 1.344 64.204 63.100 -0.401 0.000 0.822 143 P CB 0.257 31.704 31.700 -0.421 0.000 0.784 144 E N -0.184 119.698 120.200 -0.529 0.000 2.160 144 E HA -0.151 4.199 4.350 0.001 0.000 0.195 144 E C 2.110 178.425 176.600 -0.476 0.000 0.991 144 E CA 1.391 57.404 56.400 -0.646 0.000 0.810 144 E CB -1.035 27.893 29.700 -1.286 0.000 0.742 144 E HN 0.185 nan 8.360 nan 0.000 0.466 145 A N 0.990 123.574 122.820 -0.393 0.000 1.908 145 A HA -0.135 4.186 4.320 0.001 0.000 0.218 145 A C 2.356 179.794 177.584 -0.243 0.000 1.181 145 A CA 1.864 53.733 52.037 -0.280 0.000 0.627 145 A CB -0.785 18.065 19.000 -0.249 0.000 0.818 145 A HN 0.311 nan 8.150 nan 0.000 0.445 146 A N -0.635 122.046 122.820 -0.231 0.000 1.873 146 A HA 0.053 4.373 4.320 0.001 0.000 0.215 146 A C 2.223 179.730 177.584 -0.128 0.000 1.186 146 A CA 1.612 53.531 52.037 -0.198 0.000 0.616 146 A CB -0.969 17.927 19.000 -0.174 0.000 0.823 146 A HN 0.374 nan 8.150 nan 0.000 0.442 147 V N 0.125 119.968 119.914 -0.117 0.000 2.252 147 V HA -0.319 3.802 4.120 0.001 0.000 0.249 147 V C 3.085 179.162 176.094 -0.028 0.000 1.056 147 V CA 2.179 64.452 62.300 -0.045 0.000 1.022 147 V CB -1.352 30.469 31.823 -0.002 0.000 0.641 147 V HN 0.626 nan 8.190 nan 0.000 0.445 148 A N -0.728 122.038 122.820 -0.089 0.000 1.883 148 A HA -0.278 4.042 4.320 0.001 0.000 0.217 148 A C 2.238 179.862 177.584 0.067 0.000 1.186 148 A CA 2.506 54.528 52.037 -0.025 0.000 0.624 148 A CB -0.514 18.481 19.000 -0.009 0.000 0.822 148 A HN 0.514 nan 8.150 nan 0.000 0.444 149 M N -0.864 118.688 119.600 -0.079 0.000 2.086 149 M HA -0.096 4.384 4.480 0.001 0.000 0.261 149 M C 2.148 178.535 176.300 0.145 0.000 1.067 149 M CA 1.450 56.665 55.300 -0.141 0.000 1.116 149 M CB -0.491 31.839 32.600 -0.450 0.000 1.348 149 M HN 0.358 nan 8.290 nan 0.000 0.407 150 L N -0.314 120.986 121.223 0.128 0.000 2.083 150 L HA -0.159 4.181 4.340 0.001 0.000 0.209 150 L C 2.777 179.727 176.870 0.134 0.000 1.083 150 L CA 1.157 56.104 54.840 0.179 0.000 0.752 150 L CB -0.810 41.331 42.059 0.136 0.000 0.899 150 L HN 0.302 nan 8.230 nan 0.000 0.433 151 A N -1.108 121.793 122.820 0.135 0.000 1.930 151 A HA -0.200 4.120 4.320 0.001 0.000 0.217 151 A C 2.405 180.047 177.584 0.096 0.000 1.175 151 A CA 1.619 53.724 52.037 0.113 0.000 0.627 151 A CB -1.105 18.046 19.000 0.251 0.000 0.815 151 A HN 0.520 nan 8.150 nan 0.000 0.443 152 C N -0.984 118.418 119.300 0.169 0.000 2.432 152 C HA 0.013 4.473 4.460 0.001 0.000 0.277 152 C C 3.308 178.373 174.990 0.125 0.000 1.249 152 C CA 0.915 60.029 59.018 0.160 0.000 1.725 152 C CB -1.296 26.601 27.740 0.261 0.000 2.028 152 C HN 0.703 nan 8.230 nan 0.000 0.477 153 A N 0.093 123.008 122.820 0.158 0.000 1.969 153 A HA -0.194 4.127 4.320 0.001 0.000 0.218 153 A C 2.247 179.854 177.584 0.038 0.000 1.169 153 A CA 1.636 53.722 52.037 0.083 0.000 0.635 153 A CB -0.617 18.424 19.000 0.069 0.000 0.810 153 A HN 0.666 nan 8.150 nan 0.000 0.445 154 R N 0.287 120.811 120.500 0.040 0.000 2.081 154 R HA -0.090 4.250 4.340 0.001 0.000 0.235 154 R C 1.801 178.126 176.300 0.041 0.000 1.131 154 R CA 1.873 57.989 56.100 0.027 0.000 0.960 154 R CB -0.374 29.915 30.300 -0.019 0.000 0.856 154 R HN 0.710 nan 8.270 nan 0.000 0.436 155 I N -3.207 117.373 120.570 0.015 0.000 3.875 155 I HA 0.370 4.540 4.170 0.001 0.000 0.329 155 I C 0.696 176.832 176.117 0.033 0.000 1.295 155 I CA 0.528 61.849 61.300 0.034 0.000 1.129 155 I CB 0.542 38.536 38.000 -0.012 0.000 1.008 155 I HN 0.279 nan 8.210 nan 0.000 0.413 156 G N 1.728 110.544 108.800 0.028 0.000 2.160 156 G HA2 -0.256 3.705 3.960 0.001 0.000 0.251 156 G HA3 -0.256 3.705 3.960 0.001 0.000 0.251 156 G C 0.402 175.314 174.900 0.019 0.000 1.008 156 G CA 0.182 45.293 45.100 0.019 0.000 0.724 156 G HN 0.949 nan 8.290 nan 0.000 0.514 157 A N -0.978 121.859 122.820 0.029 0.000 2.313 157 A HA 0.724 5.045 4.320 0.001 0.000 0.261 157 A C 0.438 178.043 177.584 0.034 0.000 1.090 157 A CA 0.249 52.307 52.037 0.035 0.000 0.807 157 A CB 1.176 20.203 19.000 0.046 0.000 1.055 157 A HN 1.154 nan 8.150 nan 0.000 0.492 158 V N 3.172 123.102 119.914 0.026 0.000 2.293 158 V HA 0.270 4.391 4.120 0.001 0.000 0.275 158 V C -0.205 175.907 176.094 0.029 0.000 1.021 158 V CA -0.555 61.736 62.300 -0.016 0.000 0.815 158 V CB 0.227 32.035 31.823 -0.023 0.000 1.025 158 V HN 1.036 nan 8.190 nan 0.000 0.448 159 H N 1.854 121.003 119.070 0.132 0.000 2.629 159 H HA 0.640 5.197 4.556 0.001 0.000 0.357 159 H C 0.017 175.445 175.328 0.166 0.000 1.121 159 H CA -0.600 55.526 56.048 0.130 0.000 1.406 159 H CB 1.176 31.009 29.762 0.118 0.000 1.456 159 H HN 0.479 nan 8.280 nan 0.000 0.579 160 S N 2.990 118.894 115.700 0.339 0.000 2.664 160 S HA 0.355 4.825 4.470 0.001 0.000 0.262 160 S C -1.121 173.657 174.600 0.296 0.000 1.229 160 S CA -0.834 57.555 58.200 0.315 0.000 1.151 160 S CB -0.320 63.003 63.200 0.205 0.000 1.054 160 S HN 0.557 nan 8.310 nan 0.000 0.483 161 V N 6.538 126.659 119.914 0.346 0.000 2.530 161 V HA 0.437 4.558 4.120 0.001 0.000 0.282 161 V C 0.070 176.306 176.094 0.237 0.000 1.048 161 V CA -0.248 62.182 62.300 0.218 0.000 0.997 161 V CB 1.025 32.940 31.823 0.153 0.000 0.987 161 V HN 0.765 nan 8.190 nan 0.000 0.477 162 I N 5.386 126.086 120.570 0.217 0.000 2.382 162 I HA 0.292 4.463 4.170 0.001 0.000 0.285 162 I C -0.147 176.159 176.117 0.314 0.000 1.007 162 I CA -0.595 60.883 61.300 0.296 0.000 1.142 162 I CB 1.232 39.367 38.000 0.225 0.000 1.289 162 I HN 0.533 nan 8.210 nan 0.000 0.453 163 F N 5.616 125.574 119.950 0.013 0.000 2.604 163 F HA 0.035 4.563 4.527 0.001 0.000 0.393 163 F C 1.497 177.226 175.800 -0.118 0.000 1.043 163 F CA 0.191 57.968 58.000 -0.370 0.000 1.227 163 F CB 0.837 39.195 39.000 -1.069 0.000 1.016 163 F HN 0.631 nan 8.300 nan 0.000 0.556 164 G N 4.199 112.439 108.800 -0.934 0.000 2.462 164 G HA2 -0.207 3.754 3.960 0.001 0.000 0.220 164 G HA3 -0.207 3.754 3.960 0.001 0.000 0.220 164 G C 1.507 175.861 174.900 -0.909 0.000 1.121 164 G CA 0.557 45.072 45.100 -0.976 0.000 0.758 164 G HN 1.038 nan 8.290 nan 0.000 0.559 165 G N -0.482 107.342 108.800 -1.627 0.000 2.920 165 G HA2 0.244 4.205 3.960 0.001 0.000 0.208 165 G HA3 0.244 4.205 3.960 0.001 0.000 0.208 165 G C 0.104 174.811 174.900 -0.321 0.000 1.159 165 G CA -0.628 43.959 45.100 -0.854 0.000 0.784 165 G HN 0.193 nan 8.290 nan 0.000 0.535 166 F N 1.876 121.798 119.950 -0.046 0.000 2.459 166 F HA 0.326 4.853 4.527 0.001 0.000 0.346 166 F C 1.422 177.240 175.800 0.031 0.000 1.128 166 F CA -1.223 56.825 58.000 0.080 0.000 1.268 166 F CB 1.063 40.121 39.000 0.096 0.000 1.161 166 F HN 0.022 nan 8.300 nan 0.000 0.583 167 S N 3.469 119.312 115.700 0.238 0.000 2.593 167 S HA 0.224 4.694 4.470 0.001 0.000 0.269 167 S C -1.888 172.693 174.600 -0.031 0.000 1.334 167 S CA -1.028 57.212 58.200 0.067 0.000 1.015 167 S CB 1.157 64.367 63.200 0.017 0.000 0.912 167 S HN 0.371 nan 8.310 nan 0.000 0.541 168 P HA -0.145 nan 4.420 nan 0.000 0.216 168 P C 1.450 178.656 177.300 -0.157 0.000 1.153 168 P CA 1.571 64.590 63.100 -0.136 0.000 0.858 168 P CB 0.004 31.645 31.700 -0.098 0.000 0.789 169 E N -0.032 120.085 120.200 -0.138 0.000 2.085 169 E HA -0.184 4.167 4.350 0.001 0.000 0.194 169 E C 1.948 178.444 176.600 -0.173 0.000 0.994 169 E CA 1.717 58.026 56.400 -0.152 0.000 0.801 169 E CB -1.110 28.493 29.700 -0.163 0.000 0.743 169 E HN 0.094 nan 8.360 nan 0.000 0.453 170 A N -0.030 122.688 122.820 -0.170 0.000 1.898 170 A HA -0.101 4.220 4.320 0.001 0.000 0.216 170 A C 2.496 179.873 177.584 -0.344 0.000 1.181 170 A CA 1.488 53.367 52.037 -0.264 0.000 0.620 170 A CB -0.732 18.117 19.000 -0.252 0.000 0.819 170 A HN 0.196 nan 8.150 nan 0.000 0.442 171 V N 0.101 119.832 119.914 -0.306 0.000 2.255 171 V HA -0.304 3.817 4.120 0.001 0.000 0.247 171 V C 3.080 178.990 176.094 -0.306 0.000 1.051 171 V CA 2.072 64.151 62.300 -0.370 0.000 1.018 171 V CB -1.420 30.089 31.823 -0.524 0.000 0.641 171 V HN 0.623 nan 8.190 nan 0.000 0.445 172 A N 0.613 123.284 122.820 -0.249 0.000 1.873 172 A HA -0.191 4.129 4.320 0.001 0.000 0.218 172 A C 2.465 179.925 177.584 -0.206 0.000 1.193 172 A CA 2.341 54.260 52.037 -0.198 0.000 0.629 172 A CB -1.481 17.425 19.000 -0.157 0.000 0.826 172 A HN 0.558 nan 8.150 nan 0.000 0.447 173 G N -0.692 107.970 108.800 -0.230 0.000 2.476 173 G HA2 -0.286 3.674 3.960 0.001 0.000 0.218 173 G HA3 -0.286 3.674 3.960 0.001 0.000 0.218 173 G C 1.773 176.461 174.900 -0.353 0.000 1.164 173 G CA 1.148 46.102 45.100 -0.244 0.000 0.768 173 G HN 0.599 nan 8.290 nan 0.000 0.560 174 R N -0.230 119.972 120.500 -0.496 0.000 2.092 174 R HA 0.119 4.460 4.340 0.001 0.000 0.231 174 R C 2.611 178.660 176.300 -0.417 0.000 1.119 174 R CA 0.964 56.605 56.100 -0.766 0.000 0.970 174 R CB -0.333 29.526 30.300 -0.734 0.000 0.864 174 R HN 0.388 nan 8.270 nan 0.000 0.440 175 I N 0.363 120.776 120.570 -0.262 0.000 2.252 175 I HA -0.262 3.909 4.170 0.001 0.000 0.245 175 I C 2.104 178.160 176.117 -0.102 0.000 1.102 175 I CA 1.267 62.477 61.300 -0.150 0.000 1.385 175 I CB -0.148 37.769 38.000 -0.139 0.000 1.064 175 I HN 0.125 nan 8.210 nan 0.000 0.414 176 I N 0.717 121.219 120.570 -0.112 0.000 2.133 176 I HA -0.333 3.837 4.170 0.001 0.000 0.238 176 I C 2.245 178.363 176.117 0.002 0.000 1.074 176 I CA 1.914 63.181 61.300 -0.056 0.000 1.342 176 I CB -0.403 37.558 38.000 -0.064 0.000 1.053 176 I HN 0.217 nan 8.210 nan 0.000 0.404 177 D N 0.324 120.721 120.400 -0.004 0.000 2.158 177 D HA -0.207 4.434 4.640 0.001 0.000 0.197 177 D C 2.097 178.558 176.300 0.269 0.000 0.995 177 D CA 1.681 55.765 54.000 0.139 0.000 0.846 177 D CB 0.117 41.028 40.800 0.186 0.000 0.941 177 D HN 0.356 nan 8.370 nan 0.000 0.456 178 S N -1.903 113.875 115.700 0.129 0.000 2.517 178 S HA 0.119 4.590 4.470 0.001 0.000 0.214 178 S C 0.833 175.459 174.600 0.043 0.000 0.991 178 S CA 0.288 58.480 58.200 -0.014 0.000 0.906 178 S CB 0.260 63.376 63.200 -0.139 0.000 0.789 178 S HN 0.081 nan 8.310 nan 0.000 0.513 179 S N 1.347 117.088 115.700 0.068 0.000 3.682 179 S HA -0.135 4.335 4.470 0.001 0.000 0.354 179 S C 0.100 174.711 174.600 0.019 0.000 1.034 179 S CA 0.526 58.758 58.200 0.055 0.000 1.084 179 S CB -2.271 60.993 63.200 0.106 0.000 0.903 179 S HN 0.715 nan 8.310 nan 0.000 0.470 180 S N 1.241 116.934 115.700 -0.011 0.000 2.537 180 S HA 0.148 4.619 4.470 0.001 0.000 0.286 180 S C 1.487 176.081 174.600 -0.010 0.000 1.299 180 S CA -0.584 57.609 58.200 -0.012 0.000 1.067 180 S CB 0.652 63.841 63.200 -0.019 0.000 0.864 180 S HN 0.389 nan 8.310 nan 0.000 0.494 181 R N 0.664 121.164 120.500 0.001 0.000 2.210 181 R HA 0.243 4.584 4.340 0.001 0.000 0.203 181 R C -0.047 176.251 176.300 -0.003 0.000 1.010 181 R CA 0.304 56.401 56.100 -0.004 0.000 1.008 181 R CB -0.365 29.940 30.300 0.007 0.000 0.923 181 R HN 0.508 nan 8.270 nan 0.000 0.469 182 L N -0.392 120.838 121.223 0.013 0.000 2.472 182 L HA 0.403 4.744 4.340 0.001 0.000 0.260 182 L C -1.483 175.408 176.870 0.036 0.000 0.963 182 L CA -0.791 54.067 54.840 0.031 0.000 0.829 182 L CB 2.545 44.633 42.059 0.050 0.000 1.348 182 L HN -0.317 nan 8.230 nan 0.000 0.408 183 V N 5.168 125.103 119.914 0.034 0.000 2.495 183 V HA 0.547 4.667 4.120 0.001 0.000 0.298 183 V C -0.187 175.963 176.094 0.094 0.000 1.031 183 V CA -0.392 61.937 62.300 0.047 0.000 0.871 183 V CB 1.629 33.453 31.823 0.002 0.000 0.988 183 V HN 0.586 nan 8.190 nan 0.000 0.432 184 I N 3.955 124.607 120.570 0.138 0.000 2.378 184 I HA 0.656 4.826 4.170 0.001 0.000 0.291 184 I C 0.164 176.368 176.117 0.145 0.000 0.992 184 I CA 0.111 61.525 61.300 0.190 0.000 1.154 184 I CB 1.937 40.099 38.000 0.270 0.000 1.315 184 I HN 0.712 nan 8.210 nan 0.000 0.448 185 T N 3.888 118.521 114.554 0.131 0.000 2.647 185 T HA 0.854 5.205 4.350 0.001 0.000 0.295 185 T C -1.646 173.075 174.700 0.035 0.000 1.126 185 T CA -0.418 61.725 62.100 0.071 0.000 1.040 185 T CB 1.828 70.774 68.868 0.130 0.000 1.472 185 T HN 0.672 nan 8.240 nan 0.000 0.500 186 A N 0.483 123.293 122.820 -0.016 0.000 2.430 186 A HA 0.662 4.983 4.320 0.001 0.000 0.300 186 A C 0.695 178.306 177.584 0.045 0.000 1.124 186 A CA 0.029 52.065 52.037 -0.002 0.000 0.766 186 A CB 1.183 20.119 19.000 -0.106 0.000 1.328 186 A HN 0.900 nan 8.150 nan 0.000 0.424 187 D N 0.231 120.702 120.400 0.118 0.000 2.092 187 D HA -0.096 4.544 4.640 0.001 0.000 0.193 187 D C 0.261 176.587 176.300 0.043 0.000 0.994 187 D CA 1.899 55.980 54.000 0.135 0.000 0.828 187 D CB -0.037 40.892 40.800 0.216 0.000 0.963 187 D HN 0.647 nan 8.370 nan 0.000 0.450 188 E N -1.557 118.639 120.200 -0.006 0.000 2.390 188 E HA 0.610 4.961 4.350 0.001 0.000 0.277 188 E C -0.653 175.886 176.600 -0.101 0.000 0.939 188 E CA -0.882 55.485 56.400 -0.055 0.000 0.769 188 E CB 2.324 32.000 29.700 -0.041 0.000 1.251 188 E HN 0.206 nan 8.360 nan 0.000 0.450 189 G N 0.315 109.029 108.800 -0.144 0.000 2.425 189 G HA2 0.485 4.445 3.960 0.001 0.000 0.302 189 G HA3 0.485 4.445 3.960 0.001 0.000 0.302 189 G C -0.729 174.089 174.900 -0.137 0.000 1.159 189 G CA -0.362 44.642 45.100 -0.159 0.000 0.865 189 G HN 0.215 nan 8.290 nan 0.000 0.515 190 V N 1.757 121.598 119.914 -0.122 0.000 2.370 190 V HA 0.617 4.738 4.120 0.001 0.000 0.283 190 V C 0.245 176.226 176.094 -0.189 0.000 1.023 190 V CA -0.660 61.559 62.300 -0.134 0.000 0.857 190 V CB 1.178 32.951 31.823 -0.082 0.000 0.985 190 V HN 0.783 nan 8.190 nan 0.000 0.443 191 R N 4.181 124.531 120.500 -0.250 0.000 2.510 191 R HA 0.585 4.925 4.340 0.001 0.000 0.287 191 R C 0.097 176.119 176.300 -0.463 0.000 1.084 191 R CA 0.156 56.073 56.100 -0.305 0.000 0.934 191 R CB 1.592 31.753 30.300 -0.233 0.000 1.201 191 R HN 1.123 nan 8.270 nan 0.000 0.431 192 A N 2.694 125.102 122.820 -0.686 0.000 2.739 192 A HA -0.165 4.155 4.320 0.001 0.000 0.296 192 A C 1.032 177.543 177.584 -1.788 0.000 1.488 192 A CA 1.551 52.702 52.037 -1.476 0.000 0.746 192 A CB -2.099 16.340 19.000 -0.936 0.000 1.047 192 A HN 1.901 nan 8.150 nan 0.000 0.477 193 G N -2.209 105.779 108.800 -1.354 0.000 2.162 193 G HA2 -0.272 3.688 3.960 0.001 0.000 0.260 193 G HA3 -0.272 3.688 3.960 0.001 0.000 0.260 193 G C 0.145 174.864 174.900 -0.301 0.000 0.976 193 G CA 1.080 45.801 45.100 -0.630 0.000 0.655 193 G HN 1.289 nan 8.290 nan 0.000 0.533 194 R N -0.187 120.115 120.500 -0.330 0.000 2.750 194 R HA 0.604 4.945 4.340 0.001 0.000 0.281 194 R C -0.278 175.921 176.300 -0.168 0.000 0.972 194 R CA -0.535 55.445 56.100 -0.200 0.000 0.912 194 R CB 1.554 31.735 30.300 -0.199 0.000 1.187 194 R HN 0.153 nan 8.270 nan 0.000 0.464 195 S N 2.021 117.653 115.700 -0.114 0.000 2.580 195 S HA 0.383 4.854 4.470 0.001 0.000 0.274 195 S C -0.085 174.452 174.600 -0.105 0.000 1.329 195 S CA -0.342 57.799 58.200 -0.098 0.000 1.036 195 S CB 0.550 63.712 63.200 -0.064 0.000 0.919 195 S HN 0.265 nan 8.310 nan 0.000 0.515 196 I N 4.268 124.769 120.570 -0.116 0.000 2.418 196 I HA 0.328 4.499 4.170 0.001 0.000 0.287 196 I C -2.342 173.713 176.117 -0.103 0.000 1.008 196 I CA -3.069 58.155 61.300 -0.126 0.000 1.104 196 I CB 1.374 39.262 38.000 -0.185 0.000 1.264 196 I HN 0.317 nan 8.210 nan 0.000 0.438 197 P HA 0.260 nan 4.420 nan 0.000 0.231 197 P C 0.879 178.172 177.300 -0.012 0.000 1.811 197 P CA -0.163 62.919 63.100 -0.030 0.000 1.051 197 P CB 0.385 32.079 31.700 -0.010 0.000 1.951 198 L N 1.198 122.390 121.223 -0.052 0.000 1.976 198 L HA -0.213 4.128 4.340 0.001 0.000 0.209 198 L C 2.584 179.524 176.870 0.118 0.000 1.071 198 L CA 1.795 56.613 54.840 -0.037 0.000 0.746 198 L CB -0.816 41.104 42.059 -0.232 0.000 0.890 198 L HN 0.169 nan 8.230 nan 0.000 0.432 199 K N 1.038 121.479 120.400 0.068 0.000 2.063 199 K HA -0.242 4.079 4.320 0.001 0.000 0.208 199 K C 2.069 178.699 176.600 0.050 0.000 1.048 199 K CA 1.753 58.082 56.287 0.070 0.000 0.928 199 K CB -0.259 32.286 32.500 0.075 0.000 0.713 199 K HN 0.049 nan 8.250 nan 0.000 0.442 200 K N 0.091 120.520 120.400 0.048 0.000 2.074 200 K HA -0.195 4.125 4.320 0.001 0.000 0.209 200 K C 1.702 178.315 176.600 0.022 0.000 1.048 200 K CA 1.923 58.229 56.287 0.031 0.000 0.926 200 K CB -0.204 32.313 32.500 0.029 0.000 0.713 200 K HN 0.179 nan 8.250 nan 0.000 0.444 201 N N 0.203 118.935 118.700 0.055 0.000 2.166 201 N HA -0.128 4.612 4.740 0.001 0.000 0.186 201 N C 1.686 177.182 175.510 -0.024 0.000 1.019 201 N CA 1.156 54.233 53.050 0.045 0.000 0.856 201 N CB -0.240 38.344 38.487 0.161 0.000 0.993 201 N HN 0.022 nan 8.380 nan 0.000 0.426 202 V N 1.560 121.479 119.914 0.008 0.000 2.307 202 V HA -0.192 3.928 4.120 0.001 0.000 0.245 202 V C 1.617 177.661 176.094 -0.083 0.000 1.045 202 V CA 1.570 63.829 62.300 -0.067 0.000 1.024 202 V CB -0.492 31.328 31.823 -0.004 0.000 0.651 202 V HN 0.198 nan 8.190 nan 0.000 0.449 203 D N 0.334 120.698 120.400 -0.061 0.000 2.106 203 D HA -0.195 4.446 4.640 0.001 0.000 0.191 203 D C 1.908 178.166 176.300 -0.070 0.000 0.997 203 D CA 1.724 55.681 54.000 -0.071 0.000 0.834 203 D CB -0.444 40.326 40.800 -0.050 0.000 0.956 203 D HN 0.414 nan 8.370 nan 0.000 0.448 204 D N 0.342 120.706 120.400 -0.060 0.000 2.117 204 D HA -0.099 4.542 4.640 0.001 0.000 0.197 204 D C 2.037 178.286 176.300 -0.085 0.000 0.987 204 D CA 1.413 55.375 54.000 -0.063 0.000 0.829 204 D CB -0.454 40.313 40.800 -0.054 0.000 0.961 204 D HN 0.170 nan 8.370 nan 0.000 0.460 205 A N 0.647 123.402 122.820 -0.109 0.000 1.908 205 A HA -0.133 4.188 4.320 0.001 0.000 0.218 205 A C 2.277 179.790 177.584 -0.119 0.000 1.181 205 A CA 1.001 52.957 52.037 -0.135 0.000 0.627 205 A CB -0.790 18.096 19.000 -0.190 0.000 0.818 205 A HN 0.251 nan 8.150 nan 0.000 0.445 206 L N -1.289 119.867 121.223 -0.111 0.000 2.552 206 L HA -0.044 4.297 4.340 0.001 0.000 0.227 206 L C 1.986 178.804 176.870 -0.087 0.000 1.146 206 L CA 0.759 55.537 54.840 -0.103 0.000 0.858 206 L CB -0.230 41.764 42.059 -0.110 0.000 0.969 206 L HN 0.357 nan 8.230 nan 0.000 0.451 207 K N -0.311 120.041 120.400 -0.079 0.000 2.459 207 K HA -0.026 4.294 4.320 0.001 0.000 0.193 207 K C 0.804 177.368 176.600 -0.060 0.000 1.030 207 K CA -0.164 56.084 56.287 -0.064 0.000 1.026 207 K CB -0.021 32.446 32.500 -0.055 0.000 0.809 207 K HN 0.137 nan 8.250 nan 0.000 0.504 208 N N 2.211 120.869 118.700 -0.070 0.000 2.434 208 N HA -0.024 4.717 4.740 0.001 0.000 0.268 208 N C -1.800 173.675 175.510 -0.057 0.000 1.256 208 N CA -1.190 51.821 53.050 -0.065 0.000 0.914 208 N CB 1.105 39.544 38.487 -0.079 0.000 1.088 208 N HN -0.051 nan 8.380 nan 0.000 0.478 209 P HA -0.093 nan 4.420 nan 0.000 0.221 209 P C 0.349 177.626 177.300 -0.038 0.000 1.145 209 P CA 1.035 64.112 63.100 -0.039 0.000 0.795 209 P CB 0.402 32.084 31.700 -0.030 0.000 0.775 210 N N -0.400 118.276 118.700 -0.040 0.000 2.467 210 N HA 0.018 4.758 4.740 0.001 0.000 0.184 210 N C 0.176 175.660 175.510 -0.043 0.000 1.106 210 N CA 0.260 53.288 53.050 -0.037 0.000 0.892 210 N CB 0.262 38.728 38.487 -0.034 0.000 0.969 210 N HN 0.078 nan 8.380 nan 0.000 0.454 211 V N 1.941 121.822 119.914 -0.055 0.000 2.427 211 V HA 0.085 4.205 4.120 0.001 0.000 0.268 211 V C 1.285 177.346 176.094 -0.056 0.000 1.046 211 V CA 0.351 62.614 62.300 -0.062 0.000 0.970 211 V CB 0.969 32.745 31.823 -0.079 0.000 1.001 211 V HN 0.297 nan 8.190 nan 0.000 0.476 212 T N -1.036 113.490 114.554 -0.047 0.000 3.016 212 T HA 0.017 4.368 4.350 0.001 0.000 0.271 212 T C 1.310 175.983 174.700 -0.045 0.000 0.968 212 T CA 0.503 62.577 62.100 -0.044 0.000 0.891 212 T CB 0.315 69.165 68.868 -0.031 0.000 1.149 212 T HN 0.630 nan 8.240 nan 0.000 0.524 213 S N 0.489 116.163 115.700 -0.043 0.000 2.511 213 S HA 0.358 4.828 4.470 0.001 0.000 0.214 213 S C 0.429 174.999 174.600 -0.051 0.000 0.997 213 S CA -0.308 57.870 58.200 -0.036 0.000 0.908 213 S CB -0.139 63.051 63.200 -0.016 0.000 0.803 213 S HN 0.282 nan 8.310 nan 0.000 0.504 214 V N 2.724 122.597 119.914 -0.069 0.000 2.488 214 V HA 0.312 4.432 4.120 0.001 0.000 0.277 214 V C 0.737 176.755 176.094 -0.126 0.000 1.046 214 V CA -0.045 62.206 62.300 -0.081 0.000 0.986 214 V CB 1.077 32.850 31.823 -0.083 0.000 0.989 214 V HN 0.418 nan 8.190 nan 0.000 0.475 215 E N 2.197 122.306 120.200 -0.151 0.000 2.244 215 E HA 0.184 4.535 4.350 0.001 0.000 0.196 215 E C 0.002 176.271 176.600 -0.552 0.000 0.939 215 E CA 0.284 56.498 56.400 -0.311 0.000 0.884 215 E CB 0.492 30.037 29.700 -0.259 0.000 0.850 215 E HN 0.710 nan 8.360 nan 0.000 0.481 216 H N -0.634 118.383 119.070 -0.089 0.000 2.895 216 H HA 0.398 4.954 4.556 0.001 0.000 0.373 216 H C -1.116 174.143 175.328 -0.114 0.000 1.174 216 H CA -0.700 55.280 56.048 -0.113 0.000 1.144 216 H CB 2.010 31.714 29.762 -0.096 0.000 1.793 216 H HN -0.183 nan 8.280 nan 0.000 0.551 217 V N 3.710 123.610 119.914 -0.024 0.000 2.448 217 V HA 0.319 4.439 4.120 0.001 0.000 0.295 217 V C 0.423 176.478 176.094 -0.064 0.000 1.025 217 V CA -0.603 61.655 62.300 -0.070 0.000 0.859 217 V CB 1.593 33.316 31.823 -0.168 0.000 0.988 217 V HN 0.489 nan 8.190 nan 0.000 0.431 218 I N 5.016 125.614 120.570 0.047 0.000 2.331 218 I HA 0.430 4.601 4.170 0.001 0.000 0.292 218 I C -0.580 175.660 176.117 0.204 0.000 0.998 218 I CA -0.583 60.802 61.300 0.141 0.000 1.267 218 I CB 1.742 39.891 38.000 0.249 0.000 1.386 218 I HN 0.296 nan 8.210 nan 0.000 0.476 219 V N 7.223 127.287 119.914 0.249 0.000 2.378 219 V HA 0.274 4.394 4.120 0.001 0.000 0.288 219 V C -0.169 176.223 176.094 0.496 0.000 1.016 219 V CA -0.728 61.741 62.300 0.281 0.000 0.840 219 V CB 1.736 33.652 31.823 0.154 0.000 0.994 219 V HN 0.445 nan 8.190 nan 0.000 0.431 220 L N 4.850 126.260 121.223 0.312 0.000 2.319 220 L HA 0.356 4.696 4.340 0.001 0.000 0.280 220 L C 0.660 177.660 176.870 0.217 0.000 1.099 220 L CA 0.313 55.252 54.840 0.165 0.000 0.828 220 L CB 0.569 42.463 42.059 -0.275 0.000 1.150 220 L HN 0.632 nan 8.230 nan 0.000 0.442 221 K N 4.360 124.880 120.400 0.201 0.000 2.111 221 K HA 0.025 4.345 4.320 0.001 0.000 0.249 221 K C 0.949 177.505 176.600 -0.074 0.000 1.157 221 K CA -0.183 56.130 56.287 0.044 0.000 1.048 221 K CB 0.141 32.461 32.500 -0.301 0.000 1.498 221 K HN 0.687 nan 8.250 nan 0.000 0.344 222 R N 1.074 121.538 120.500 -0.060 0.000 2.062 222 R HA -0.064 4.276 4.340 0.001 0.000 0.226 222 R C 1.763 178.017 176.300 -0.076 0.000 1.125 222 R CA 2.479 58.512 56.100 -0.111 0.000 0.966 222 R CB -0.323 29.903 30.300 -0.123 0.000 0.861 222 R HN 0.535 nan 8.270 nan 0.000 0.433 223 T N -4.626 109.901 114.554 -0.045 0.000 3.034 223 T HA 0.277 4.627 4.350 0.001 0.000 0.248 223 T C 1.413 176.088 174.700 -0.041 0.000 1.040 223 T CA 0.374 62.453 62.100 -0.036 0.000 1.107 223 T CB 0.256 69.109 68.868 -0.024 0.000 0.932 223 T HN 0.405 nan 8.240 nan 0.000 0.474 224 G N 1.162 109.938 108.800 -0.041 0.000 2.143 224 G HA2 -0.248 3.713 3.960 0.001 0.000 0.249 224 G HA3 -0.248 3.713 3.960 0.001 0.000 0.249 224 G C 0.215 175.104 174.900 -0.019 0.000 0.981 224 G CA 0.180 45.240 45.100 -0.066 0.000 0.665 224 G HN 0.729 nan 8.290 nan 0.000 0.528 225 S N 0.618 116.328 115.700 0.016 0.000 2.566 225 S HA 0.328 4.799 4.470 0.001 0.000 0.280 225 S C 0.394 175.032 174.600 0.064 0.000 1.343 225 S CA -0.128 58.091 58.200 0.031 0.000 1.036 225 S CB 0.417 63.636 63.200 0.032 0.000 0.866 225 S HN 0.352 nan 8.310 nan 0.000 0.526 226 D N 1.986 122.417 120.400 0.051 0.000 2.450 226 D HA 0.318 4.959 4.640 0.001 0.000 0.247 226 D C 0.238 176.594 176.300 0.094 0.000 1.162 226 D CA 0.420 54.461 54.000 0.068 0.000 0.879 226 D CB -0.038 40.789 40.800 0.046 0.000 1.163 226 D HN 0.446 nan 8.370 nan 0.000 0.472 227 I N -1.795 118.858 120.570 0.138 0.000 3.074 227 I HA 0.492 4.662 4.170 0.001 0.000 0.310 227 I C -0.660 175.561 176.117 0.173 0.000 1.153 227 I CA -1.151 60.241 61.300 0.153 0.000 0.993 227 I CB 2.291 40.413 38.000 0.202 0.000 1.237 227 I HN -0.110 nan 8.210 nan 0.000 0.443 228 D N 2.415 122.903 120.400 0.146 0.000 2.341 228 D HA 0.160 4.800 4.640 0.001 0.000 0.245 228 D C -1.425 175.021 176.300 0.243 0.000 1.106 228 D CA 0.407 54.498 54.000 0.150 0.000 0.905 228 D CB 1.543 42.387 40.800 0.075 0.000 1.202 228 D HN 0.532 nan 8.370 nan 0.000 0.426 229 W N 1.701 122.978 121.300 -0.038 0.000 2.781 229 W HA 0.188 4.848 4.660 0.001 0.000 0.333 229 W C -0.848 175.635 176.519 -0.060 0.000 1.047 229 W CA -0.674 56.623 57.345 -0.081 0.000 1.236 229 W CB 1.735 31.154 29.460 -0.070 0.000 1.394 229 W HN 0.263 nan 8.180 nan 0.000 0.466 230 Q N 3.960 123.556 119.800 -0.340 0.000 2.360 230 Q HA 0.104 4.445 4.340 0.001 0.000 0.254 230 Q C -0.309 175.517 176.000 -0.289 0.000 0.975 230 Q CA -0.315 55.345 55.803 -0.239 0.000 0.912 230 Q CB 1.254 29.850 28.738 -0.237 0.000 1.212 230 Q HN 0.348 nan 8.270 nan 0.000 0.452 231 E N 2.172 122.335 120.200 -0.061 0.000 2.414 231 E HA 0.201 4.552 4.350 0.001 0.000 0.263 231 E C 0.815 177.395 176.600 -0.032 0.000 1.000 231 E CA 1.863 58.277 56.400 0.023 0.000 0.914 231 E CB 0.532 30.286 29.700 0.089 0.000 0.948 231 E HN 0.825 nan 8.360 nan 0.000 0.444 232 G N 4.592 113.392 108.800 -0.000 0.000 3.079 232 G HA2 -0.407 3.554 3.960 0.001 0.000 0.214 232 G HA3 -0.407 3.554 3.960 0.001 0.000 0.214 232 G C 1.360 176.279 174.900 0.032 0.000 1.335 232 G CA 0.465 45.577 45.100 0.020 0.000 0.822 232 G HN 0.560 nan 8.290 nan 0.000 0.545 233 R N 1.260 121.702 120.500 -0.098 0.000 2.057 233 R HA 0.043 4.384 4.340 0.001 0.000 0.229 233 R C -0.100 176.113 176.300 -0.145 0.000 1.136 233 R CA 1.459 57.481 56.100 -0.131 0.000 0.952 233 R CB -0.241 29.923 30.300 -0.227 0.000 0.848 233 R HN 0.430 nan 8.270 nan 0.000 0.430 234 D N 0.883 120.985 120.400 -0.496 0.000 2.264 234 D HA 0.269 4.910 4.640 0.001 0.000 0.250 234 D C -0.647 175.301 176.300 -0.586 0.000 1.113 234 D CA 0.137 53.582 54.000 -0.925 0.000 0.871 234 D CB 1.505 41.036 40.800 -2.114 0.000 1.167 234 D HN 0.133 nan 8.370 nan 0.000 0.447 235 L N 1.481 122.526 121.223 -0.297 0.000 2.408 235 L HA 0.431 4.771 4.340 0.001 0.000 0.268 235 L C -0.611 176.423 176.870 0.274 0.000 0.986 235 L CA -1.056 53.840 54.840 0.093 0.000 0.820 235 L CB 1.814 43.867 42.059 -0.009 0.000 1.303 235 L HN 0.276 nan 8.230 nan 0.000 0.411 236 W N 2.238 123.827 121.300 0.482 0.000 2.238 236 W HA 0.065 4.725 4.660 0.001 0.000 0.321 236 W C 1.042 177.735 176.519 0.289 0.000 1.293 236 W CA -0.260 57.304 57.345 0.365 0.000 1.204 236 W CB 0.910 30.468 29.460 0.164 0.000 1.167 236 W HN 0.629 nan 8.180 nan 0.000 0.553 237 W N 4.110 125.670 121.300 0.433 0.000 2.333 237 W HA -0.246 4.415 4.660 0.000 0.000 0.316 237 W C 1.998 178.638 176.519 0.202 0.000 1.215 237 W CA 1.830 59.334 57.345 0.267 0.000 1.278 237 W CB -0.450 29.110 29.460 0.166 0.000 1.154 237 W HN 0.503 nan 8.180 nan 0.000 0.486 238 R N 0.573 121.381 120.500 0.513 0.000 2.073 238 R HA -0.190 4.151 4.340 0.001 0.000 0.234 238 R C 1.913 178.305 176.300 0.153 0.000 1.134 238 R CA 2.314 58.588 56.100 0.291 0.000 0.952 238 R CB -0.716 29.681 30.300 0.162 0.000 0.850 238 R HN -0.039 nan 8.270 nan 0.000 0.433 239 D N 0.596 121.107 120.400 0.184 0.000 2.133 239 D HA -0.215 4.425 4.640 0.001 0.000 0.192 239 D C 1.931 178.275 176.300 0.074 0.000 1.001 239 D CA 1.423 55.506 54.000 0.138 0.000 0.844 239 D CB -0.204 40.732 40.800 0.227 0.000 0.944 239 D HN 0.297 nan 8.370 nan 0.000 0.447 240 L N -0.059 121.196 121.223 0.054 0.000 2.044 240 L HA -0.027 4.313 4.340 0.001 0.000 0.205 240 L C 2.576 179.391 176.870 -0.090 0.000 1.075 240 L CA 0.516 55.327 54.840 -0.049 0.000 0.747 240 L CB -0.211 41.782 42.059 -0.110 0.000 0.903 240 L HN -0.002 nan 8.230 nan 0.000 0.435 241 I N -0.302 120.200 120.570 -0.114 0.000 2.394 241 I HA -0.216 3.954 4.170 0.001 0.000 0.251 241 I C 2.394 178.494 176.117 -0.028 0.000 1.136 241 I CA 0.973 62.211 61.300 -0.104 0.000 1.425 241 I CB 0.029 37.937 38.000 -0.153 0.000 1.079 241 I HN 0.257 nan 8.210 nan 0.000 0.425 242 E N 0.973 121.175 120.200 0.003 0.000 2.204 242 E HA -0.213 4.137 4.350 0.001 0.000 0.194 242 E C 2.211 178.809 176.600 -0.003 0.000 0.989 242 E CA 1.386 57.793 56.400 0.011 0.000 0.824 242 E CB -0.289 29.424 29.700 0.022 0.000 0.756 242 E HN 0.573 nan 8.360 nan 0.000 0.477 243 K N 0.792 121.183 120.400 -0.015 0.000 2.365 243 K HA 0.328 4.649 4.320 0.001 0.000 0.197 243 K C 1.138 177.718 176.600 -0.032 0.000 1.042 243 K CA 0.824 57.098 56.287 -0.021 0.000 0.987 243 K CB -0.121 32.364 32.500 -0.025 0.000 0.779 243 K HN 0.178 nan 8.250 nan 0.000 0.484 244 A N 0.534 123.328 122.820 -0.044 0.000 2.302 244 A HA 0.537 4.858 4.320 0.001 0.000 0.285 244 A C 0.452 178.020 177.584 -0.027 0.000 1.105 244 A CA 0.083 52.088 52.037 -0.053 0.000 0.816 244 A CB 0.620 19.568 19.000 -0.086 0.000 1.067 244 A HN 0.394 nan 8.150 nan 0.000 0.489 245 S N 1.794 117.482 115.700 -0.020 0.000 2.528 245 S HA 0.363 4.833 4.470 0.001 0.000 0.277 245 S C -1.367 173.237 174.600 0.006 0.000 1.297 245 S CA -1.211 56.988 58.200 -0.001 0.000 1.052 245 S CB 0.573 63.777 63.200 0.006 0.000 0.917 245 S HN 0.523 nan 8.310 nan 0.000 0.492 246 P HA 0.055 nan 4.420 nan 0.000 0.242 246 P C -0.509 176.812 177.300 0.035 0.000 1.197 246 P CA 0.437 63.549 63.100 0.020 0.000 0.765 246 P CB 0.068 31.789 31.700 0.034 0.000 0.936 247 E N 1.043 121.270 120.200 0.045 0.000 2.115 247 E HA 0.253 4.603 4.350 0.001 0.000 0.282 247 E C -0.281 176.373 176.600 0.090 0.000 0.987 247 E CA -0.151 56.285 56.400 0.059 0.000 0.797 247 E CB 1.121 30.843 29.700 0.037 0.000 1.086 247 E HN 0.275 nan 8.360 nan 0.000 0.397 248 H N 2.723 121.784 119.070 -0.015 0.000 3.083 248 H HA 0.107 4.664 4.556 0.001 0.000 0.339 248 H C -1.206 174.125 175.328 0.004 0.000 1.020 248 H CA -0.545 55.490 56.048 -0.022 0.000 1.360 248 H CB 1.315 31.047 29.762 -0.050 0.000 1.811 248 H HN 0.308 nan 8.280 nan 0.000 0.493 249 Q N 5.571 125.146 119.800 -0.375 0.000 2.303 249 Q HA 0.308 4.648 4.340 0.001 0.000 0.257 249 Q C -2.330 173.548 176.000 -0.203 0.000 0.941 249 Q CA -2.086 53.609 55.803 -0.180 0.000 0.931 249 Q CB 1.792 30.449 28.738 -0.134 0.000 1.215 249 Q HN 0.495 nan 8.270 nan 0.000 0.437 250 P HA 0.108 nan 4.420 nan 0.000 0.275 250 P C -0.398 176.917 177.300 0.026 0.000 1.227 250 P CA -0.089 63.065 63.100 0.091 0.000 0.781 250 P CB 1.273 33.032 31.700 0.099 0.000 0.906 251 E N 1.007 121.233 120.200 0.042 0.000 2.248 251 E HA 0.451 4.801 4.350 0.001 0.000 0.272 251 E C -0.083 176.530 176.600 0.022 0.000 1.008 251 E CA -1.004 55.408 56.400 0.020 0.000 0.856 251 E CB 1.664 31.377 29.700 0.022 0.000 1.120 251 E HN 0.470 nan 8.360 nan 0.000 0.397 252 A N 3.746 126.578 122.820 0.020 0.000 2.492 252 A HA 0.234 4.555 4.320 0.001 0.000 0.254 252 A C 0.128 177.729 177.584 0.029 0.000 1.091 252 A CA 0.031 52.084 52.037 0.025 0.000 0.768 252 A CB -0.079 18.945 19.000 0.040 0.000 1.028 252 A HN 0.417 nan 8.150 nan 0.000 0.498 253 M N 2.525 122.138 119.600 0.022 0.000 2.472 253 M HA 0.271 4.751 4.480 0.001 0.000 0.331 253 M C 0.485 176.819 176.300 0.057 0.000 1.170 253 M CA -0.648 54.669 55.300 0.028 0.000 1.009 253 M CB 1.027 33.631 32.600 0.007 0.000 1.672 253 M HN 0.842 nan 8.290 nan 0.000 0.453 254 N N 0.705 119.445 118.700 0.068 0.000 2.453 254 N HA 0.122 4.863 4.740 0.001 0.000 0.253 254 N C 0.761 176.348 175.510 0.129 0.000 1.252 254 N CA 0.360 53.475 53.050 0.108 0.000 0.917 254 N CB 1.296 39.833 38.487 0.083 0.000 1.117 254 N HN 0.749 nan 8.380 nan 0.000 0.442 255 A N 2.916 125.872 122.820 0.227 0.000 1.986 255 A HA -0.153 4.168 4.320 0.001 0.000 0.220 255 A C 1.365 179.053 177.584 0.174 0.000 1.171 255 A CA 1.469 53.675 52.037 0.282 0.000 0.640 255 A CB -0.116 19.162 19.000 0.463 0.000 0.811 255 A HN 0.767 nan 8.150 nan 0.000 0.451 256 E N 0.672 120.943 120.200 0.118 0.000 2.465 256 E HA 0.079 4.429 4.350 0.001 0.000 0.195 256 E C -0.825 175.783 176.600 0.014 0.000 1.028 256 E CA -0.228 56.207 56.400 0.057 0.000 0.899 256 E CB -0.049 29.674 29.700 0.038 0.000 1.032 256 E HN 0.494 nan 8.360 nan 0.000 0.468 257 D N 3.012 123.424 120.400 0.020 0.000 2.425 257 D HA 0.061 4.702 4.640 0.001 0.000 0.247 257 D C -2.168 174.112 176.300 -0.033 0.000 1.147 257 D CA -1.428 52.570 54.000 -0.003 0.000 0.879 257 D CB 0.743 41.547 40.800 0.006 0.000 1.179 257 D HN -0.019 nan 8.370 nan 0.000 0.456 258 P HA -0.052 nan 4.420 nan 0.000 0.266 258 P C 0.306 177.546 177.300 -0.101 0.000 1.195 258 P CA -0.188 62.861 63.100 -0.085 0.000 0.768 258 P CB 1.052 32.726 31.700 -0.044 0.000 0.838 259 L N 3.785 124.899 121.223 -0.182 0.000 2.588 259 L HA 0.400 4.740 4.340 0.001 0.000 0.194 259 L C 0.166 176.925 176.870 -0.185 0.000 1.070 259 L CA 0.930 55.668 54.840 -0.171 0.000 0.852 259 L CB 0.086 42.029 42.059 -0.194 0.000 1.199 259 L HN 0.409 nan 8.230 nan 0.000 0.486 260 F N -1.075 118.696 119.950 -0.299 0.000 2.685 260 F HA 0.731 5.258 4.527 0.000 0.000 0.315 260 F C -1.114 174.607 175.800 -0.131 0.000 1.126 260 F CA -1.648 56.145 58.000 -0.346 0.000 0.950 260 F CB 0.700 39.384 39.000 -0.527 0.000 1.360 260 F HN -0.222 nan 8.300 nan 0.000 0.469 261 I N 2.341 123.011 120.570 0.167 0.000 2.569 261 I HA 0.519 4.690 4.170 0.001 0.000 0.296 261 I C -1.243 175.027 176.117 0.255 0.000 1.028 261 I CA -0.872 60.459 61.300 0.053 0.000 1.082 261 I CB 2.208 40.099 38.000 -0.181 0.000 1.264 261 I HN 0.553 nan 8.210 nan 0.000 0.429 262 L N 5.773 127.090 121.223 0.156 0.000 2.404 262 L HA 0.437 4.778 4.340 0.001 0.000 0.272 262 L C -1.164 175.736 176.870 0.050 0.000 0.980 262 L CA -0.699 54.263 54.840 0.203 0.000 0.836 262 L CB 1.574 43.799 42.059 0.278 0.000 1.238 262 L HN 0.458 nan 8.230 nan 0.000 0.408 263 Y N 2.227 122.640 120.300 0.188 0.000 2.620 263 Y HA 0.140 4.691 4.550 0.001 0.000 0.330 263 Y C 0.693 176.728 175.900 0.225 0.000 1.186 263 Y CA 0.598 58.793 58.100 0.158 0.000 1.467 263 Y CB 0.690 39.187 38.460 0.063 0.000 1.262 263 Y HN 0.389 nan 8.280 nan 0.000 0.550 264 T N 2.339 117.062 114.554 0.281 0.000 2.921 264 T HA 0.278 4.628 4.350 0.001 0.000 0.297 264 T C -0.501 174.326 174.700 0.211 0.000 1.013 264 T CA -1.076 61.174 62.100 0.249 0.000 0.990 264 T CB 1.154 70.146 68.868 0.207 0.000 1.023 264 T HN 0.446 nan 8.240 nan 0.000 0.447 265 S N 1.693 117.502 115.700 0.183 0.000 2.549 265 S HA 0.593 5.064 4.470 0.001 0.000 0.279 265 S C 0.779 175.439 174.600 0.101 0.000 1.321 265 S CA -0.564 57.718 58.200 0.136 0.000 1.054 265 S CB 0.750 64.022 63.200 0.120 0.000 0.899 265 S HN 0.923 nan 8.310 nan 0.000 0.497 266 G N 0.467 109.312 108.800 0.076 0.000 2.788 266 G HA2 0.453 4.413 3.960 0.001 0.000 0.293 266 G HA3 0.453 4.413 3.960 0.001 0.000 0.293 266 G C 0.696 175.602 174.900 0.011 0.000 1.305 266 G CA -0.494 44.625 45.100 0.032 0.000 1.005 266 G HN 0.571 nan 8.290 nan 0.000 0.496 267 S N -1.561 114.124 115.700 -0.025 0.000 2.406 267 S HA 0.066 4.536 4.470 0.001 0.000 0.228 267 S C 1.013 175.606 174.600 -0.010 0.000 1.020 267 S CA 1.209 59.397 58.200 -0.020 0.000 0.965 267 S CB -0.119 63.056 63.200 -0.042 0.000 0.798 267 S HN 0.577 nan 8.310 nan 0.000 0.488 268 T N 1.260 115.803 114.554 -0.018 0.000 2.829 268 T HA 0.631 4.982 4.350 0.001 0.000 0.280 268 T C 0.203 174.911 174.700 0.014 0.000 0.999 268 T CA -0.020 62.077 62.100 -0.005 0.000 0.983 268 T CB 1.326 70.182 68.868 -0.020 0.000 0.968 268 T HN 0.568 nan 8.240 nan 0.000 0.446 269 G N 2.910 111.725 108.800 0.025 0.000 2.642 269 G HA2 -0.172 3.789 3.960 0.001 0.000 0.231 269 G HA3 -0.172 3.789 3.960 0.001 0.000 0.231 269 G C -0.627 174.302 174.900 0.048 0.000 1.338 269 G CA -0.656 44.466 45.100 0.036 0.000 0.883 269 G HN 0.783 nan 8.290 nan 0.000 0.570 270 K N 0.941 121.373 120.400 0.053 0.000 2.090 270 K HA 0.462 4.783 4.320 0.001 0.000 0.250 270 K C -2.170 174.486 176.600 0.093 0.000 1.004 270 K CA -1.262 55.059 56.287 0.056 0.000 0.919 270 K CB 0.506 33.025 32.500 0.031 0.000 1.045 270 K HN 0.273 nan 8.250 nan 0.000 0.471 271 P HA -0.023 nan 4.420 nan 0.000 0.266 271 P C -0.926 176.561 177.300 0.312 0.000 1.195 271 P CA 0.362 63.578 63.100 0.193 0.000 0.768 271 P CB 0.507 32.319 31.700 0.187 0.000 0.838 272 K N 1.298 121.865 120.400 0.279 0.000 2.208 272 K HA 0.507 4.827 4.320 0.001 0.000 0.247 272 K C 0.416 176.983 176.600 -0.055 0.000 0.953 272 K CA -0.760 55.664 56.287 0.228 0.000 0.837 272 K CB 1.530 34.136 32.500 0.177 0.000 1.131 272 K HN 0.512 nan 8.250 nan 0.000 0.431 273 G N 1.043 109.608 108.800 -0.392 0.000 2.519 273 G HA2 0.287 4.247 3.960 0.001 0.000 0.306 273 G HA3 0.287 4.247 3.960 0.001 0.000 0.306 273 G C -0.092 174.676 174.900 -0.220 0.000 0.965 273 G CA -0.417 44.222 45.100 -0.768 0.000 1.291 273 G HN 0.212 nan 8.290 nan 0.000 0.450 274 V N 3.907 123.753 119.914 -0.114 0.000 2.529 274 V HA 0.129 4.249 4.120 0.001 0.000 0.292 274 V C 0.567 176.580 176.094 -0.135 0.000 1.028 274 V CA -0.134 62.141 62.300 -0.042 0.000 1.074 274 V CB 1.079 32.945 31.823 0.072 0.000 0.958 274 V HN 0.605 nan 8.190 nan 0.000 0.481 275 L N 5.803 126.866 121.223 -0.266 0.000 2.313 275 L HA 0.576 4.917 4.340 0.001 0.000 0.283 275 L C -0.344 176.159 176.870 -0.612 0.000 1.013 275 L CA -0.343 54.291 54.840 -0.343 0.000 0.816 275 L CB 0.932 42.867 42.059 -0.207 0.000 1.236 275 L HN 0.634 nan 8.230 nan 0.000 0.419 276 H N 2.675 121.361 119.070 -0.640 0.000 2.492 276 H HA 0.368 4.925 4.556 0.001 0.000 0.345 276 H C -0.148 174.867 175.328 -0.523 0.000 1.136 276 H CA -0.296 55.348 56.048 -0.674 0.000 1.202 276 H CB 1.980 31.034 29.762 -1.180 0.000 1.524 276 H HN 0.726 nan 8.280 nan 0.000 0.506 277 T N -0.547 113.892 114.554 -0.193 0.000 2.994 277 T HA 0.168 4.518 4.350 0.001 0.000 0.322 277 T C 1.083 175.758 174.700 -0.043 0.000 1.199 277 T CA -0.199 61.835 62.100 -0.110 0.000 0.945 277 T CB 0.436 69.278 68.868 -0.044 0.000 1.754 277 T HN 0.458 nan 8.240 nan 0.000 0.571 278 T N -0.534 114.037 114.554 0.028 0.000 3.082 278 T HA 0.297 4.648 4.350 0.001 0.000 0.235 278 T C 2.186 176.946 174.700 0.100 0.000 0.991 278 T CA 0.523 62.647 62.100 0.041 0.000 1.220 278 T CB -0.987 67.875 68.868 -0.010 0.000 0.909 278 T HN 0.710 nan 8.240 nan 0.000 0.424 279 G N 1.213 110.100 108.800 0.145 0.000 2.464 279 G HA2 0.013 3.974 3.960 0.001 0.000 0.214 279 G HA3 0.013 3.974 3.960 0.001 0.000 0.214 279 G C 1.739 176.821 174.900 0.302 0.000 1.218 279 G CA 1.017 46.246 45.100 0.215 0.000 0.794 279 G HN 0.535 nan 8.290 nan 0.000 0.542 280 G N -0.172 108.853 108.800 0.375 0.000 2.440 280 G HA2 -0.284 3.677 3.960 0.001 0.000 0.218 280 G HA3 -0.284 3.677 3.960 0.001 0.000 0.218 280 G C 1.645 176.582 174.900 0.062 0.000 1.154 280 G CA 1.279 46.496 45.100 0.194 0.000 0.767 280 G HN 0.448 nan 8.290 nan 0.000 0.552 281 Y N 0.768 121.076 120.300 0.014 0.000 2.053 281 Y HA -0.144 4.407 4.550 0.002 0.000 0.277 281 Y C 2.489 178.407 175.900 0.030 0.000 1.159 281 Y CA 1.929 60.042 58.100 0.022 0.000 1.125 281 Y CB -0.512 37.956 38.460 0.014 0.000 0.969 281 Y HN 0.134 nan 8.280 nan 0.000 0.492 282 L N -0.462 120.709 121.223 -0.087 0.000 2.056 282 L HA -0.121 4.219 4.340 0.001 0.000 0.207 282 L C 2.374 179.155 176.870 -0.148 0.000 1.078 282 L CA 1.461 56.182 54.840 -0.200 0.000 0.749 282 L CB -0.953 41.056 42.059 -0.085 0.000 0.901 282 L HN 0.223 nan 8.230 nan 0.000 0.433 283 V N -1.120 118.785 119.914 -0.015 0.000 2.287 283 V HA -0.374 3.747 4.120 0.001 0.000 0.248 283 V C 2.251 178.409 176.094 0.106 0.000 1.053 283 V CA 2.321 64.677 62.300 0.093 0.000 1.027 283 V CB -0.830 31.131 31.823 0.230 0.000 0.646 283 V HN 0.559 nan 8.190 nan 0.000 0.447 284 Y N 0.490 120.720 120.300 -0.117 0.000 2.200 284 Y HA -0.136 4.414 4.550 0.000 0.000 0.290 284 Y C 2.414 178.176 175.900 -0.229 0.000 1.137 284 Y CA 1.428 59.457 58.100 -0.118 0.000 1.163 284 Y CB -0.281 38.063 38.460 -0.194 0.000 0.988 284 Y HN 0.186 nan 8.280 nan 0.000 0.518 285 A N 0.186 122.777 122.820 -0.382 0.000 1.877 285 A HA -0.190 4.130 4.320 0.001 0.000 0.216 285 A C 2.340 179.716 177.584 -0.347 0.000 1.186 285 A CA 1.897 53.591 52.037 -0.572 0.000 0.620 285 A CB -1.414 17.114 19.000 -0.787 0.000 0.822 285 A HN 0.545 nan 8.150 nan 0.000 0.443 286 A N -1.185 121.502 122.820 -0.222 0.000 1.898 286 A HA -0.041 4.279 4.320 0.001 0.000 0.216 286 A C 2.309 179.864 177.584 -0.049 0.000 1.181 286 A CA 2.224 54.198 52.037 -0.106 0.000 0.620 286 A CB -1.163 17.791 19.000 -0.076 0.000 0.819 286 A HN 0.435 nan 8.150 nan 0.000 0.442 287 T N 0.335 114.852 114.554 -0.062 0.000 2.701 287 T HA -0.144 4.207 4.350 0.001 0.000 0.263 287 T C 2.235 176.886 174.700 -0.083 0.000 1.040 287 T CA 2.275 64.347 62.100 -0.046 0.000 1.147 287 T CB -0.783 68.256 68.868 0.284 0.000 0.865 287 T HN 0.798 nan 8.240 nan 0.000 0.426 288 T N 1.159 115.519 114.554 -0.323 0.000 2.708 288 T HA -0.135 4.216 4.350 0.001 0.000 0.266 288 T C 1.740 176.292 174.700 -0.248 0.000 1.037 288 T CA 1.170 62.902 62.100 -0.613 0.000 1.146 288 T CB -1.020 67.174 68.868 -1.124 0.000 0.865 288 T HN 0.300 nan 8.240 nan 0.000 0.435 289 F N 2.833 122.666 119.950 -0.194 0.000 2.043 289 F HA -0.132 4.396 4.527 0.002 0.000 0.297 289 F C 2.507 178.358 175.800 0.086 0.000 1.121 289 F CA 2.124 60.156 58.000 0.054 0.000 1.199 289 F CB -0.439 38.551 39.000 -0.016 0.000 0.968 289 F HN 0.122 nan 8.300 nan 0.000 0.478 290 K N -0.759 119.643 120.400 0.003 0.000 2.009 290 K HA -0.246 4.074 4.320 0.001 0.000 0.210 290 K C 2.217 178.836 176.600 0.031 0.000 1.049 290 K CA 2.290 58.550 56.287 -0.045 0.000 0.929 290 K CB -0.733 31.722 32.500 -0.076 0.000 0.714 290 K HN 0.531 nan 8.250 nan 0.000 0.440 291 Y N -0.563 119.808 120.300 0.119 0.000 2.243 291 Y HA -0.136 4.419 4.550 0.009 0.000 0.293 291 Y C 2.222 178.156 175.900 0.056 0.000 1.124 291 Y CA 0.337 58.540 58.100 0.171 0.000 1.159 291 Y CB 0.302 38.989 38.460 0.378 0.000 1.008 291 Y HN -0.099 nan 8.280 nan 0.000 0.527 292 V N -0.928 119.026 119.914 0.067 0.000 2.488 292 V HA -0.246 3.874 4.120 0.001 0.000 0.246 292 V C 1.279 177.137 176.094 -0.394 0.000 1.046 292 V CA 1.612 63.775 62.300 -0.228 0.000 1.053 292 V CB -0.522 31.042 31.823 -0.431 0.000 0.679 292 V HN 0.317 nan 8.190 nan 0.000 0.458 293 F N -0.398 119.472 119.950 -0.133 0.000 2.765 293 F HA 0.227 4.755 4.527 0.002 0.000 0.302 293 F C 1.090 176.863 175.800 -0.046 0.000 1.111 293 F CA 0.364 58.274 58.000 -0.149 0.000 1.359 293 F CB -0.139 38.666 39.000 -0.326 0.000 1.097 293 F HN 0.167 nan 8.300 nan 0.000 0.577 294 D N 0.396 120.878 120.400 0.136 0.000 2.708 294 D HA -0.326 4.315 4.640 0.001 0.000 0.236 294 D C -0.202 176.258 176.300 0.266 0.000 1.146 294 D CA 0.291 54.419 54.000 0.214 0.000 0.662 294 D CB -1.533 39.398 40.800 0.218 0.000 1.059 294 D HN 0.438 nan 8.370 nan 0.000 0.428 295 Y N 1.161 121.479 120.300 0.029 0.000 2.677 295 Y HA 0.286 4.836 4.550 -0.000 0.000 0.335 295 Y C 0.061 176.027 175.900 0.110 0.000 1.162 295 Y CA 0.179 58.305 58.100 0.044 0.000 1.483 295 Y CB 0.248 38.637 38.460 -0.118 0.000 1.209 295 Y HN 0.147 nan 8.280 nan 0.000 0.528 296 H N 6.835 125.473 119.070 -0.719 0.000 2.492 296 H HA 0.376 4.932 4.556 0.000 0.000 0.345 296 H C -2.386 172.388 175.328 -0.923 0.000 1.136 296 H CA -2.443 53.245 56.048 -0.601 0.000 1.202 296 H CB 0.994 30.611 29.762 -0.242 0.000 1.524 296 H HN 0.522 nan 8.280 nan 0.000 0.506 297 P HA -0.025 nan 4.420 nan 0.000 0.261 297 P C 0.904 178.179 177.300 -0.042 0.000 1.165 297 P CA 1.756 64.784 63.100 -0.120 0.000 0.759 297 P CB 0.422 32.138 31.700 0.027 0.000 0.772 298 G N 2.171 111.015 108.800 0.073 0.000 2.232 298 G HA2 -0.185 3.776 3.960 0.001 0.000 0.226 298 G HA3 -0.185 3.776 3.960 0.001 0.000 0.226 298 G C -0.155 174.814 174.900 0.115 0.000 0.996 298 G CA -0.380 44.776 45.100 0.094 0.000 0.626 298 G HN 0.503 nan 8.290 nan 0.000 0.509 299 D N 1.704 122.164 120.400 0.099 0.000 2.417 299 D HA 0.389 5.029 4.640 0.001 0.000 0.250 299 D C 0.952 177.443 176.300 0.318 0.000 1.166 299 D CA 0.035 54.139 54.000 0.173 0.000 0.881 299 D CB 0.669 41.552 40.800 0.139 0.000 1.164 299 D HN 0.195 nan 8.370 nan 0.000 0.467 300 I N 3.171 123.889 120.570 0.247 0.000 2.352 300 I HA 0.115 4.285 4.170 0.001 0.000 0.290 300 I C -0.089 176.216 176.117 0.314 0.000 1.036 300 I CA -0.576 60.876 61.300 0.253 0.000 1.336 300 I CB -0.250 37.851 38.000 0.169 0.000 1.407 300 I HN 0.312 nan 8.210 nan 0.000 0.497 301 Y N 7.288 127.718 120.300 0.217 0.000 2.364 301 Y HA 0.508 5.059 4.550 0.002 0.000 0.340 301 Y C -1.465 174.598 175.900 0.272 0.000 0.975 301 Y CA -0.865 57.371 58.100 0.228 0.000 1.089 301 Y CB 1.606 40.242 38.460 0.294 0.000 1.192 301 Y HN 0.604 nan 8.280 nan 0.000 0.454 302 W N 8.618 129.512 121.300 -0.677 0.000 2.543 302 W HA 0.500 5.160 4.660 0.000 0.000 0.318 302 W C -1.766 174.399 176.519 -0.589 0.000 1.002 302 W CA -1.771 55.274 57.345 -0.499 0.000 1.302 302 W CB 0.775 30.113 29.460 -0.204 0.000 1.299 302 W HN 0.865 nan 8.180 nan 0.000 0.424 303 C N 6.597 125.677 119.300 -0.366 0.000 2.347 303 C HA 0.459 4.919 4.460 0.001 0.000 0.353 303 C C 1.751 176.677 174.990 -0.108 0.000 1.273 303 C CA 0.493 59.439 59.018 -0.121 0.000 1.861 303 C CB -0.080 27.850 27.740 0.316 0.000 2.420 303 C HN 0.765 nan 8.230 nan 0.000 0.542 304 T N 2.974 117.334 114.554 -0.322 0.000 3.113 304 T HA 0.218 4.569 4.350 0.001 0.000 0.256 304 T C 0.773 175.508 174.700 0.058 0.000 1.131 304 T CA 0.585 62.565 62.100 -0.201 0.000 1.074 304 T CB -0.190 68.447 68.868 -0.385 0.000 0.944 304 T HN 1.109 nan 8.240 nan 0.000 0.516 305 A N 1.543 124.412 122.820 0.081 0.000 2.425 305 A HA 0.388 4.709 4.320 0.001 0.000 0.249 305 A C 0.080 177.804 177.584 0.233 0.000 1.084 305 A CA -0.502 51.636 52.037 0.167 0.000 0.781 305 A CB -0.235 18.885 19.000 0.200 0.000 1.019 305 A HN 0.536 nan 8.150 nan 0.000 0.490 306 D N 1.328 121.896 120.400 0.280 0.000 2.455 306 D HA 0.107 4.748 4.640 0.001 0.000 0.241 306 D C 1.167 177.551 176.300 0.140 0.000 1.138 306 D CA 0.354 54.473 54.000 0.198 0.000 0.877 306 D CB 0.899 41.816 40.800 0.196 0.000 1.187 306 D HN 0.216 nan 8.370 nan 0.000 0.451 307 V N 3.921 123.876 119.914 0.068 0.000 2.546 307 V HA -0.160 3.960 4.120 0.001 0.000 0.254 307 V C 1.896 178.024 176.094 0.057 0.000 1.076 307 V CA 2.486 64.800 62.300 0.024 0.000 1.087 307 V CB -0.594 31.178 31.823 -0.086 0.000 0.674 307 V HN 0.811 nan 8.190 nan 0.000 0.470 308 G N -1.877 106.867 108.800 -0.093 0.000 2.848 308 G HA2 -0.056 3.904 3.960 0.001 0.000 0.208 308 G HA3 -0.056 3.904 3.960 0.001 0.000 0.208 308 G C 0.159 174.856 174.900 -0.339 0.000 1.152 308 G CA -0.328 44.648 45.100 -0.208 0.000 0.789 308 G HN 0.608 nan 8.290 nan 0.000 0.531 309 W N -2.130 119.255 121.300 0.143 0.000 2.719 309 W HA 0.470 5.131 4.660 0.000 0.000 0.352 309 W C 1.002 177.504 176.519 -0.029 0.000 1.085 309 W CA -1.269 56.086 57.345 0.017 0.000 1.187 309 W CB 1.604 31.051 29.460 -0.022 0.000 1.417 309 W HN -0.248 nan 8.180 nan 0.000 0.557 310 V N 1.397 121.416 119.914 0.175 0.000 2.469 310 V HA -0.275 3.845 4.120 0.001 0.000 0.251 310 V C 1.660 178.046 176.094 0.488 0.000 1.064 310 V CA 2.845 65.229 62.300 0.140 0.000 1.066 310 V CB -0.524 31.424 31.823 0.209 0.000 0.667 310 V HN 0.836 nan 8.190 nan 0.000 0.461 311 T N -0.051 114.801 114.554 0.495 0.000 2.788 311 T HA -0.094 4.256 4.350 0.001 0.000 0.268 311 T C 1.703 176.773 174.700 0.618 0.000 1.044 311 T CA 1.377 63.945 62.100 0.779 0.000 1.139 311 T CB -0.642 68.558 68.868 0.554 0.000 0.867 311 T HN 0.656 nan 8.240 nan 0.000 0.454 312 G N 0.319 109.387 108.800 0.446 0.000 2.421 312 G HA2 -0.147 3.814 3.960 0.001 0.000 0.217 312 G HA3 -0.147 3.814 3.960 0.001 0.000 0.217 312 G C 1.254 176.281 174.900 0.211 0.000 1.143 312 G CA 0.306 45.597 45.100 0.320 0.000 0.784 312 G HN 0.570 nan 8.290 nan 0.000 0.541 313 H N 0.424 119.505 119.070 0.019 0.000 2.284 313 H HA -0.019 4.538 4.556 0.000 0.000 0.304 313 H C 2.942 178.218 175.328 -0.087 0.000 1.069 313 H CA 1.251 57.189 56.048 -0.185 0.000 1.327 313 H CB 0.114 29.729 29.762 -0.245 0.000 1.387 313 H HN 0.335 nan 8.280 nan 0.000 0.498 314 S N -0.044 115.796 115.700 0.233 0.000 2.387 314 S HA -0.098 4.373 4.470 0.001 0.000 0.226 314 S C 1.282 175.514 174.600 -0.613 0.000 1.026 314 S CA 1.123 59.187 58.200 -0.227 0.000 0.972 314 S CB -0.071 62.804 63.200 -0.542 0.000 0.814 314 S HN 0.414 nan 8.310 nan 0.000 0.477 315 Y N -0.430 120.032 120.300 0.271 0.000 2.500 315 Y HA 0.421 4.971 4.550 0.000 0.000 0.246 315 Y C 1.472 177.625 175.900 0.422 0.000 1.146 315 Y CA -0.474 57.837 58.100 0.351 0.000 1.230 315 Y CB 0.244 39.089 38.460 0.641 0.000 1.214 315 Y HN 0.135 nan 8.280 nan 0.000 0.526 316 L N -0.718 120.717 121.223 0.354 0.000 2.200 316 L HA 0.167 4.507 4.340 0.001 0.000 0.200 316 L C 1.223 178.130 176.870 0.061 0.000 1.072 316 L CA 1.611 56.610 54.840 0.266 0.000 0.787 316 L CB -0.170 42.006 42.059 0.195 0.000 0.957 316 L HN 0.127 nan 8.230 nan 0.000 0.459 317 L N -2.443 118.710 121.223 -0.115 0.000 2.546 317 L HA 0.068 4.408 4.340 0.001 0.000 0.182 317 L C 2.354 179.095 176.870 -0.216 0.000 1.167 317 L CA 0.134 54.818 54.840 -0.261 0.000 0.845 317 L CB -0.684 41.053 42.059 -0.536 0.000 1.134 317 L HN 0.071 nan 8.230 nan 0.000 0.500 318 Y N 0.922 121.162 120.300 -0.099 0.000 2.133 318 Y HA -0.084 4.466 4.550 0.000 0.000 0.287 318 Y C 2.541 178.284 175.900 -0.261 0.000 1.134 318 Y CA 1.002 59.039 58.100 -0.105 0.000 1.133 318 Y CB -1.534 36.963 38.460 0.061 0.000 0.987 318 Y HN 0.132 nan 8.280 nan 0.000 0.502 319 G N 0.385 109.021 108.800 -0.272 0.000 2.459 319 G HA2 -0.228 3.732 3.960 0.001 0.000 0.217 319 G HA3 -0.228 3.732 3.960 0.001 0.000 0.217 319 G C -0.574 173.827 174.900 -0.832 0.000 1.183 319 G CA 1.107 45.920 45.100 -0.478 0.000 0.776 319 G HN 0.296 nan 8.290 nan 0.000 0.552 320 P HA -0.040 nan 4.420 nan 0.000 0.215 320 P C 2.055 178.959 177.300 -0.660 0.000 1.157 320 P CA 0.836 63.075 63.100 -1.435 0.000 0.868 320 P CB -0.146 31.022 31.700 -0.886 0.000 0.788 321 L N -1.288 119.747 121.223 -0.313 0.000 2.156 321 L HA -0.083 4.257 4.340 0.001 0.000 0.208 321 L C 2.465 179.353 176.870 0.030 0.000 1.095 321 L CA 1.237 56.046 54.840 -0.052 0.000 0.770 321 L CB -1.155 40.939 42.059 0.059 0.000 0.914 321 L HN -0.067 nan 8.230 nan 0.000 0.439 322 A N -0.938 121.871 122.820 -0.019 0.000 1.972 322 A HA -0.211 4.109 4.320 0.001 0.000 0.219 322 A C 2.167 179.789 177.584 0.064 0.000 1.169 322 A CA 1.679 53.757 52.037 0.068 0.000 0.635 322 A CB -0.970 18.008 19.000 -0.037 0.000 0.810 322 A HN 0.562 nan 8.150 nan 0.000 0.446 323 C N -1.211 117.997 119.300 -0.154 0.000 2.626 323 C HA 0.441 4.902 4.460 0.001 0.000 0.266 323 C C 1.906 176.761 174.990 -0.224 0.000 1.317 323 C CA 0.149 59.077 59.018 -0.149 0.000 1.716 323 C CB -1.207 26.400 27.740 -0.222 0.000 1.819 323 C HN 1.070 nan 8.230 nan 0.000 0.578 324 G N 0.804 109.308 108.800 -0.493 0.000 2.147 324 G HA2 -0.045 3.916 3.960 0.001 0.000 0.244 324 G HA3 -0.045 3.916 3.960 0.001 0.000 0.244 324 G C 0.123 174.926 174.900 -0.161 0.000 1.005 324 G CA 0.290 44.942 45.100 -0.747 0.000 0.713 324 G HN 0.881 nan 8.290 nan 0.000 0.515 325 A N -0.575 122.151 122.820 -0.158 0.000 2.287 325 A HA 0.797 5.117 4.320 0.001 0.000 0.273 325 A C 0.697 178.372 177.584 0.152 0.000 1.091 325 A CA 0.678 52.703 52.037 -0.018 0.000 0.817 325 A CB 0.609 19.386 19.000 -0.373 0.000 1.069 325 A HN 0.751 nan 8.150 nan 0.000 0.492 326 T N 1.449 116.140 114.554 0.228 0.000 2.728 326 T HA 0.471 4.821 4.350 0.001 0.000 0.296 326 T C 0.032 174.837 174.700 0.176 0.000 0.940 326 T CA 0.177 62.370 62.100 0.156 0.000 1.013 326 T CB 0.644 69.612 68.868 0.166 0.000 0.912 326 T HN 0.684 nan 8.240 nan 0.000 0.484 327 T N 3.662 118.273 114.554 0.095 0.000 2.855 327 T HA 0.648 4.998 4.350 0.001 0.000 0.281 327 T C -0.759 173.977 174.700 0.059 0.000 1.007 327 T CA -0.746 61.466 62.100 0.186 0.000 1.009 327 T CB 0.663 69.633 68.868 0.170 0.000 0.983 327 T HN 0.474 nan 8.240 nan 0.000 0.455 328 L N 5.635 126.899 121.223 0.069 0.000 2.296 328 L HA 0.667 5.007 4.340 0.001 0.000 0.286 328 L C -0.416 176.460 176.870 0.009 0.000 1.023 328 L CA -0.742 54.030 54.840 -0.114 0.000 0.812 328 L CB 1.240 43.080 42.059 -0.365 0.000 1.223 328 L HN 0.686 nan 8.230 nan 0.000 0.421 329 M N 5.519 125.108 119.600 -0.018 0.000 2.114 329 M HA 0.344 4.825 4.480 0.001 0.000 0.332 329 M C -1.791 174.551 176.300 0.069 0.000 1.014 329 M CA -0.645 54.733 55.300 0.128 0.000 0.956 329 M CB 1.223 33.934 32.600 0.186 0.000 1.551 329 M HN 0.570 nan 8.290 nan 0.000 0.427 330 F N 4.316 124.248 119.950 -0.030 0.000 2.427 330 F HA 0.314 4.842 4.527 0.001 0.000 0.346 330 F C 0.895 176.677 175.800 -0.030 0.000 1.120 330 F CA -0.644 57.272 58.000 -0.140 0.000 1.033 330 F CB 1.181 40.224 39.000 0.072 0.000 1.126 330 F HN 0.790 nan 8.300 nan 0.000 0.462 331 E N 3.272 123.162 120.200 -0.516 0.000 2.152 331 E HA 0.075 4.425 4.350 0.001 0.000 0.192 331 E C 1.031 177.255 176.600 -0.626 0.000 0.983 331 E CA 0.847 57.024 56.400 -0.372 0.000 0.818 331 E CB 0.051 29.640 29.700 -0.185 0.000 0.758 331 E HN 0.903 nan 8.360 nan 0.000 0.467 332 G N 0.288 108.272 108.800 -1.360 0.000 2.945 332 G HA2 0.417 4.378 3.960 0.001 0.000 0.156 332 G HA3 0.417 4.378 3.960 0.001 0.000 0.156 332 G C -0.329 174.200 174.900 -0.618 0.000 1.375 332 G CA 0.145 44.708 45.100 -0.894 0.000 1.039 332 G HN 0.176 nan 8.290 nan 0.000 0.586 333 V N -3.046 116.825 119.914 -0.072 0.000 2.823 333 V HA 0.601 4.721 4.120 0.001 0.000 0.312 333 V C -2.296 174.143 176.094 0.576 0.000 1.072 333 V CA -1.984 60.474 62.300 0.263 0.000 0.937 333 V CB 2.102 34.021 31.823 0.160 0.000 1.013 333 V HN 0.391 nan 8.190 nan 0.000 0.430 334 P HA 0.030 nan 4.420 nan 0.000 0.234 334 P C 0.483 177.938 177.300 0.257 0.000 1.167 334 P CA 1.202 64.518 63.100 0.360 0.000 0.763 334 P CB -0.284 31.531 31.700 0.192 0.000 0.835 335 N N -3.495 115.364 118.700 0.264 0.000 2.365 335 N HA 0.115 4.856 4.740 0.001 0.000 0.257 335 N C -0.881 174.785 175.510 0.261 0.000 1.287 335 N CA -0.660 52.513 53.050 0.204 0.000 0.882 335 N CB 0.093 38.669 38.487 0.148 0.000 1.250 335 N HN 0.026 nan 8.380 nan 0.000 0.507 336 W N 2.117 123.496 121.300 0.131 0.000 2.839 336 W HA 0.463 5.123 4.660 0.000 0.000 0.334 336 W C -2.413 174.173 176.519 0.112 0.000 1.064 336 W CA -1.706 55.698 57.345 0.099 0.000 1.236 336 W CB 2.121 31.626 29.460 0.076 0.000 1.405 336 W HN -0.161 nan 8.180 nan 0.000 0.478 337 P HA -0.035 nan 4.420 nan 0.000 0.219 337 P C 0.341 177.340 177.300 -0.500 0.000 1.150 337 P CA 1.516 63.864 63.100 -1.254 0.000 0.814 337 P CB 0.251 31.328 31.700 -1.038 0.000 0.787 338 T N -6.375 108.046 114.554 -0.221 0.000 2.916 338 T HA 0.456 4.807 4.350 0.001 0.000 0.292 338 T C -2.430 172.271 174.700 0.001 0.000 1.064 338 T CA -2.392 59.652 62.100 -0.094 0.000 1.011 338 T CB 1.808 70.624 68.868 -0.087 0.000 1.152 338 T HN -0.319 nan 8.240 nan 0.000 0.510 339 P HA 0.054 nan 4.420 nan 0.000 0.223 339 P C 1.236 178.582 177.300 0.076 0.000 1.144 339 P CA 0.921 64.061 63.100 0.066 0.000 0.783 339 P CB -0.220 31.518 31.700 0.064 0.000 0.771 340 A N -0.777 122.070 122.820 0.045 0.000 2.235 340 A HA -0.067 4.254 4.320 0.001 0.000 0.208 340 A C 2.238 179.842 177.584 0.033 0.000 1.172 340 A CA 0.659 52.720 52.037 0.039 0.000 0.786 340 A CB -0.861 18.145 19.000 0.010 0.000 0.804 340 A HN -0.041 nan 8.150 nan 0.000 0.479 341 R N 0.085 120.612 120.500 0.045 0.000 2.083 341 R HA -0.138 4.202 4.340 0.001 0.000 0.237 341 R C 2.016 178.331 176.300 0.025 0.000 1.137 341 R CA 2.324 58.446 56.100 0.036 0.000 0.951 341 R CB -0.642 29.729 30.300 0.119 0.000 0.851 341 R HN 0.554 nan 8.270 nan 0.000 0.434 342 M N -0.711 118.948 119.600 0.099 0.000 2.082 342 M HA -0.256 4.225 4.480 0.001 0.000 0.258 342 M C 1.840 178.245 176.300 0.173 0.000 1.069 342 M CA 2.195 57.599 55.300 0.174 0.000 1.102 342 M CB -0.232 32.442 32.600 0.122 0.000 1.336 342 M HN 0.364 nan 8.290 nan 0.000 0.404 343 C N 0.225 119.581 119.300 0.093 0.000 2.448 343 C HA -0.062 4.398 4.460 0.001 0.000 0.280 343 C C 2.448 177.440 174.990 0.004 0.000 1.398 343 C CA 0.514 59.565 59.018 0.056 0.000 1.774 343 C CB -1.163 26.593 27.740 0.027 0.000 1.888 343 C HN 0.623 nan 8.230 nan 0.000 0.519 344 Q N 0.249 120.034 119.800 -0.026 0.000 2.124 344 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 344 Q C 2.316 178.228 176.000 -0.146 0.000 0.977 344 Q CA 1.464 57.218 55.803 -0.082 0.000 0.850 344 Q CB -0.128 28.559 28.738 -0.084 0.000 0.901 344 Q HN 0.580 nan 8.270 nan 0.000 0.429 345 V N -0.078 119.728 119.914 -0.180 0.000 2.307 345 V HA -0.228 3.893 4.120 0.001 0.000 0.245 345 V C 2.211 178.179 176.094 -0.211 0.000 1.045 345 V CA 1.332 63.428 62.300 -0.339 0.000 1.024 345 V CB -0.536 30.817 31.823 -0.783 0.000 0.651 345 V HN 0.184 nan 8.190 nan 0.000 0.449 346 V N 0.449 120.358 119.914 -0.008 0.000 2.252 346 V HA -0.328 3.792 4.120 0.001 0.000 0.249 346 V C 2.351 178.435 176.094 -0.017 0.000 1.056 346 V CA 2.491 64.831 62.300 0.068 0.000 1.022 346 V CB -0.750 31.148 31.823 0.124 0.000 0.641 346 V HN 0.553 nan 8.190 nan 0.000 0.445 347 D N -0.379 119.988 120.400 -0.054 0.000 2.092 347 D HA -0.189 4.451 4.640 0.001 0.000 0.193 347 D C 2.181 178.403 176.300 -0.131 0.000 0.994 347 D CA 1.579 55.533 54.000 -0.078 0.000 0.828 347 D CB -0.329 40.424 40.800 -0.079 0.000 0.963 347 D HN 0.397 nan 8.370 nan 0.000 0.450 348 K N -0.172 120.090 120.400 -0.230 0.000 2.063 348 K HA -0.157 4.163 4.320 0.001 0.000 0.208 348 K C 1.147 177.471 176.600 -0.460 0.000 1.048 348 K CA 1.215 57.266 56.287 -0.393 0.000 0.928 348 K CB 0.059 32.211 32.500 -0.580 0.000 0.713 348 K HN 0.305 nan 8.250 nan 0.000 0.442 349 H N 0.181 119.193 119.070 -0.096 0.000 2.542 349 H HA 0.133 4.689 4.556 0.001 0.000 0.283 349 H C -0.152 175.164 175.328 -0.019 0.000 1.059 349 H CA 0.029 56.041 56.048 -0.060 0.000 1.162 349 H CB 0.780 30.454 29.762 -0.147 0.000 1.539 349 H HN 0.230 nan 8.280 nan 0.000 0.543 350 Q N 0.388 120.211 119.800 0.037 0.000 2.439 350 Q HA -0.140 4.201 4.340 0.001 0.000 0.325 350 Q C -0.120 175.925 176.000 0.074 0.000 1.372 350 Q CA 0.229 56.057 55.803 0.041 0.000 0.909 350 Q CB -2.180 26.582 28.738 0.040 0.000 1.167 350 Q HN 0.201 nan 8.270 nan 0.000 0.418 351 V N 1.099 121.065 119.914 0.088 0.000 2.540 351 V HA -0.100 4.020 4.120 0.001 0.000 0.297 351 V C 1.565 177.720 176.094 0.102 0.000 1.024 351 V CA 1.117 63.492 62.300 0.125 0.000 1.105 351 V CB 0.648 32.586 31.823 0.190 0.000 0.938 351 V HN 0.484 nan 8.190 nan 0.000 0.482 352 N N 3.730 122.501 118.700 0.119 0.000 2.388 352 N HA 0.317 5.058 4.740 0.001 0.000 0.176 352 N C -0.220 175.351 175.510 0.102 0.000 1.062 352 N CA 0.160 53.265 53.050 0.091 0.000 0.895 352 N CB 0.454 38.996 38.487 0.093 0.000 1.018 352 N HN 0.588 nan 8.380 nan 0.000 0.456 353 I N 1.305 121.963 120.570 0.146 0.000 2.478 353 I HA 0.305 4.475 4.170 0.001 0.000 0.287 353 I C -1.532 174.610 176.117 0.041 0.000 1.042 353 I CA -0.892 60.492 61.300 0.140 0.000 1.067 353 I CB 2.212 40.376 38.000 0.274 0.000 1.233 353 I HN -0.098 nan 8.210 nan 0.000 0.431 354 L N 7.631 128.871 121.223 0.028 0.000 2.341 354 L HA 0.562 4.903 4.340 0.001 0.000 0.278 354 L C -1.795 175.118 176.870 0.073 0.000 1.005 354 L CA -0.471 54.349 54.840 -0.032 0.000 0.818 354 L CB 1.394 43.446 42.059 -0.012 0.000 1.259 354 L HN 0.476 nan 8.230 nan 0.000 0.418 355 Y N 4.329 124.491 120.300 -0.230 0.000 2.349 355 Y HA 0.672 5.224 4.550 0.002 0.000 0.324 355 Y C -0.452 175.370 175.900 -0.130 0.000 1.005 355 Y CA -0.311 57.753 58.100 -0.060 0.000 1.240 355 Y CB 1.399 39.833 38.460 -0.044 0.000 1.117 355 Y HN 0.812 nan 8.280 nan 0.000 0.463 356 T N 3.193 117.614 114.554 -0.220 0.000 2.591 356 T HA 0.921 5.271 4.350 0.001 0.000 0.274 356 T C -1.468 173.014 174.700 -0.363 0.000 0.945 356 T CA -0.192 61.698 62.100 -0.350 0.000 1.087 356 T CB 1.069 69.741 68.868 -0.327 0.000 1.416 356 T HN 0.737 nan 8.240 nan 0.000 0.514 357 A N 1.167 123.799 122.820 -0.313 0.000 2.365 357 A HA 0.720 5.041 4.320 0.001 0.000 0.318 357 A C -2.216 175.217 177.584 -0.252 0.000 1.091 357 A CA -1.637 50.239 52.037 -0.268 0.000 0.763 357 A CB 1.254 20.109 19.000 -0.243 0.000 1.248 357 A HN 0.579 nan 8.150 nan 0.000 0.442 358 P HA -0.133 nan 4.420 nan 0.000 0.217 358 P C 1.510 178.724 177.300 -0.144 0.000 1.148 358 P CA 1.894 64.896 63.100 -0.164 0.000 0.828 358 P CB 0.139 31.788 31.700 -0.084 0.000 0.783 359 T N -0.572 113.894 114.554 -0.147 0.000 2.684 359 T HA -0.183 4.168 4.350 0.001 0.000 0.267 359 T C 1.879 176.511 174.700 -0.114 0.000 1.036 359 T CA 1.790 63.815 62.100 -0.126 0.000 1.148 359 T CB -0.966 67.809 68.868 -0.155 0.000 0.863 359 T HN 0.066 nan 8.240 nan 0.000 0.436 360 A N 1.288 124.030 122.820 -0.129 0.000 1.865 360 A HA -0.084 4.236 4.320 0.001 0.000 0.217 360 A C 2.284 179.799 177.584 -0.115 0.000 1.191 360 A CA 1.568 53.544 52.037 -0.103 0.000 0.623 360 A CB -0.944 17.989 19.000 -0.112 0.000 0.826 360 A HN 0.534 nan 8.150 nan 0.000 0.444 361 I N -0.830 119.636 120.570 -0.174 0.000 2.194 361 I HA -0.337 3.834 4.170 0.001 0.000 0.246 361 I C 2.801 178.802 176.117 -0.193 0.000 1.093 361 I CA 1.772 62.977 61.300 -0.158 0.000 1.355 361 I CB -0.377 37.462 38.000 -0.268 0.000 1.046 361 I HN 0.300 nan 8.210 nan 0.000 0.413 362 R N 0.523 120.922 120.500 -0.168 0.000 2.092 362 R HA -0.093 4.248 4.340 0.001 0.000 0.231 362 R C 2.485 178.672 176.300 -0.188 0.000 1.119 362 R CA 1.334 57.325 56.100 -0.180 0.000 0.970 362 R CB -0.425 29.814 30.300 -0.101 0.000 0.864 362 R HN 0.392 nan 8.270 nan 0.000 0.440 363 A N 1.254 123.998 122.820 -0.126 0.000 1.902 363 A HA -0.129 4.191 4.320 0.001 0.000 0.217 363 A C 2.146 179.662 177.584 -0.112 0.000 1.181 363 A CA 1.202 53.188 52.037 -0.086 0.000 0.623 363 A CB -0.464 18.517 19.000 -0.033 0.000 0.818 363 A HN 0.170 nan 8.150 nan 0.000 0.443 364 L N -1.522 119.620 121.223 -0.134 0.000 2.131 364 L HA -0.079 4.261 4.340 0.001 0.000 0.206 364 L C 2.767 179.405 176.870 -0.386 0.000 1.087 364 L CA 1.373 56.152 54.840 -0.102 0.000 0.767 364 L CB -0.474 41.644 42.059 0.098 0.000 0.917 364 L HN 0.527 nan 8.230 nan 0.000 0.441 365 M N 0.317 119.359 119.600 -0.930 0.000 2.108 365 M HA -0.224 4.257 4.480 0.001 0.000 0.261 365 M C 2.359 178.277 176.300 -0.635 0.000 1.066 365 M CA 2.029 56.430 55.300 -1.499 0.000 1.107 365 M CB -0.127 31.611 32.600 -1.435 0.000 1.356 365 M HN 0.263 nan 8.290 nan 0.000 0.406 366 A N 0.116 122.716 122.820 -0.365 0.000 2.024 366 A HA -0.165 4.156 4.320 0.001 0.000 0.220 366 A C 1.727 179.246 177.584 -0.108 0.000 1.164 366 A CA 1.771 53.697 52.037 -0.184 0.000 0.643 366 A CB -0.572 18.357 19.000 -0.118 0.000 0.806 366 A HN 0.621 nan 8.150 nan 0.000 0.451 367 E N -0.869 119.275 120.200 -0.094 0.000 2.474 367 E HA 0.259 4.610 4.350 0.001 0.000 0.194 367 E C 1.484 178.113 176.600 0.049 0.000 1.041 367 E CA 0.602 56.997 56.400 -0.009 0.000 0.874 367 E CB -0.546 29.166 29.700 0.019 0.000 0.914 367 E HN 0.641 nan 8.360 nan 0.000 0.498 368 G N 2.484 111.317 108.800 0.055 0.000 2.574 368 G HA2 -0.367 3.594 3.960 0.001 0.000 0.286 368 G HA3 -0.367 3.594 3.960 0.001 0.000 0.286 368 G C 0.500 175.605 174.900 0.341 0.000 1.212 368 G CA 0.437 45.675 45.100 0.231 0.000 0.979 368 G HN 0.239 nan 8.290 nan 0.000 0.557 369 D N 1.003 121.541 120.400 0.231 0.000 2.378 369 D HA 0.044 4.684 4.640 0.001 0.000 0.222 369 D C 2.366 178.737 176.300 0.118 0.000 0.980 369 D CA 0.730 54.827 54.000 0.162 0.000 0.907 369 D CB 0.017 40.874 40.800 0.095 0.000 0.899 369 D HN 0.309 nan 8.370 nan 0.000 0.527 370 K N 0.597 121.065 120.400 0.115 0.000 2.147 370 K HA -0.008 4.313 4.320 0.001 0.000 0.205 370 K C 1.830 178.488 176.600 0.096 0.000 1.049 370 K CA 0.586 56.921 56.287 0.080 0.000 0.936 370 K CB -0.279 32.257 32.500 0.060 0.000 0.722 370 K HN 0.093 nan 8.250 nan 0.000 0.446 371 A N 1.242 124.161 122.820 0.165 0.000 2.125 371 A HA -0.085 4.236 4.320 0.001 0.000 0.219 371 A C 1.881 179.546 177.584 0.134 0.000 1.156 371 A CA 1.297 53.452 52.037 0.197 0.000 0.671 371 A CB -0.516 18.725 19.000 0.401 0.000 0.794 371 A HN 0.481 nan 8.150 nan 0.000 0.459 372 I N -4.576 116.047 120.570 0.089 0.000 4.557 372 I HA 0.295 4.465 4.170 0.001 0.000 0.333 372 I C 0.432 176.552 176.117 0.004 0.000 1.332 372 I CA -0.309 61.005 61.300 0.023 0.000 1.240 372 I CB 0.023 38.004 38.000 -0.031 0.000 1.312 372 I HN 0.129 nan 8.210 nan 0.000 0.457 373 E N 2.752 122.962 120.200 0.017 0.000 2.465 373 E HA 0.202 4.552 4.350 0.001 0.000 0.260 373 E C 1.312 177.905 176.600 -0.012 0.000 0.980 373 E CA 1.087 57.489 56.400 0.003 0.000 0.927 373 E CB 0.356 30.062 29.700 0.010 0.000 0.934 373 E HN 0.555 nan 8.360 nan 0.000 0.459 374 G N 3.305 112.093 108.800 -0.019 0.000 2.168 374 G HA2 -0.311 3.649 3.960 0.001 0.000 0.263 374 G HA3 -0.311 3.649 3.960 0.001 0.000 0.263 374 G C 0.287 175.166 174.900 -0.034 0.000 0.977 374 G CA 0.860 45.944 45.100 -0.027 0.000 0.659 374 G HN 0.855 nan 8.290 nan 0.000 0.533 375 T N -3.514 111.019 114.554 -0.034 0.000 2.940 375 T HA 0.688 5.039 4.350 0.001 0.000 0.288 375 T C 0.535 175.206 174.700 -0.049 0.000 1.033 375 T CA 0.248 62.324 62.100 -0.041 0.000 1.033 375 T CB 2.704 71.551 68.868 -0.035 0.000 1.079 375 T HN -0.023 nan 8.240 nan 0.000 0.496 376 D N 0.270 120.638 120.400 -0.052 0.000 2.527 376 D HA 0.053 4.693 4.640 0.001 0.000 0.249 376 D C 0.966 177.225 176.300 -0.069 0.000 1.029 376 D CA 0.423 54.388 54.000 -0.058 0.000 0.951 376 D CB 0.234 41.003 40.800 -0.053 0.000 1.093 376 D HN 0.742 nan 8.370 nan 0.000 0.464 377 R N -0.899 119.564 120.500 -0.063 0.000 3.922 377 R HA -0.133 4.207 4.340 0.001 0.000 0.447 377 R C 1.512 177.766 176.300 -0.078 0.000 1.035 377 R CA 0.845 56.902 56.100 -0.071 0.000 1.289 377 R CB -2.014 28.226 30.300 -0.099 0.000 1.906 377 R HN 0.039 nan 8.270 nan 0.000 0.540 378 S N -0.022 115.635 115.700 -0.070 0.000 2.474 378 S HA -0.134 4.336 4.470 0.001 0.000 0.235 378 S C 1.743 176.310 174.600 -0.056 0.000 0.997 378 S CA 1.264 59.421 58.200 -0.071 0.000 0.949 378 S CB -0.011 63.152 63.200 -0.061 0.000 0.766 378 S HN 0.645 nan 8.310 nan 0.000 0.517 379 S N 1.264 116.941 115.700 -0.039 0.000 2.428 379 S HA 0.104 4.575 4.470 0.001 0.000 0.230 379 S C 0.651 175.241 174.600 -0.018 0.000 1.014 379 S CA 0.109 58.298 58.200 -0.020 0.000 0.957 379 S CB -0.631 62.570 63.200 0.001 0.000 0.784 379 S HN 0.373 nan 8.310 nan 0.000 0.499 380 L N 1.878 123.081 121.223 -0.034 0.000 2.499 380 L HA 0.225 4.565 4.340 0.001 0.000 0.273 380 L C 1.681 178.515 176.870 -0.060 0.000 1.195 380 L CA -0.053 54.762 54.840 -0.040 0.000 0.882 380 L CB 0.432 42.443 42.059 -0.079 0.000 1.133 380 L HN 0.230 nan 8.230 nan 0.000 0.483 381 R N 3.017 123.497 120.500 -0.032 0.000 2.342 381 R HA 0.382 4.722 4.340 0.001 0.000 0.204 381 R C -0.351 175.935 176.300 -0.023 0.000 0.882 381 R CA 0.044 56.122 56.100 -0.036 0.000 1.041 381 R CB 0.966 31.253 30.300 -0.021 0.000 1.188 381 R HN 0.406 nan 8.270 nan 0.000 0.598 382 I N 1.724 122.301 120.570 0.011 0.000 2.647 382 I HA 0.372 4.543 4.170 0.001 0.000 0.295 382 I C -0.674 175.461 176.117 0.030 0.000 1.078 382 I CA -0.723 60.604 61.300 0.045 0.000 1.048 382 I CB 2.194 40.286 38.000 0.152 0.000 1.239 382 I HN -0.024 nan 8.210 nan 0.000 0.421 383 L N 3.826 125.041 121.223 -0.014 0.000 2.342 383 L HA 0.894 5.234 4.340 0.001 0.000 0.271 383 L C 0.270 177.248 176.870 0.179 0.000 1.008 383 L CA -0.546 54.280 54.840 -0.023 0.000 0.818 383 L CB 2.382 44.175 42.059 -0.443 0.000 1.296 383 L HN 0.737 nan 8.230 nan 0.000 0.427 384 G N -0.026 109.013 108.800 0.399 0.000 2.612 384 G HA2 0.588 4.548 3.960 0.001 0.000 0.298 384 G HA3 0.588 4.548 3.960 0.001 0.000 0.298 384 G C -1.767 173.439 174.900 0.510 0.000 1.336 384 G CA -0.360 45.069 45.100 0.549 0.000 0.953 384 G HN 0.417 nan 8.290 nan 0.000 0.482 385 S N -0.825 115.092 115.700 0.362 0.000 2.541 385 S HA 0.770 5.241 4.470 0.001 0.000 0.280 385 S C -1.386 173.279 174.600 0.108 0.000 1.112 385 S CA -0.623 57.646 58.200 0.115 0.000 0.925 385 S CB 1.847 65.101 63.200 0.090 0.000 1.067 385 S HN 1.390 nan 8.310 nan 0.000 0.479 386 V N 3.737 123.609 119.914 -0.070 0.000 3.048 386 V HA 0.759 4.880 4.120 0.001 0.000 0.303 386 V C 0.612 176.635 176.094 -0.118 0.000 1.214 386 V CA 0.744 63.022 62.300 -0.036 0.000 0.984 386 V CB 1.385 33.167 31.823 -0.068 0.000 1.054 386 V HN 1.663 nan 8.190 nan 0.000 0.430 387 G N 4.150 112.887 108.800 -0.105 0.000 2.218 387 G HA2 -0.088 3.873 3.960 0.001 0.000 0.216 387 G HA3 -0.088 3.873 3.960 0.001 0.000 0.216 387 G C -0.144 174.678 174.900 -0.131 0.000 0.994 387 G CA 0.560 45.544 45.100 -0.194 0.000 0.637 387 G HN 1.543 nan 8.290 nan 0.000 0.505 388 E N -0.639 119.531 120.200 -0.050 0.000 2.396 388 E HA 0.533 4.883 4.350 0.001 0.000 0.280 388 E C -3.387 173.241 176.600 0.047 0.000 1.065 388 E CA -2.107 54.285 56.400 -0.013 0.000 0.831 388 E CB 1.014 30.674 29.700 -0.066 0.000 1.272 388 E HN 0.057 nan 8.360 nan 0.000 0.443 389 P HA 0.168 nan 4.420 nan 0.000 0.269 389 P C -0.750 176.604 177.300 0.089 0.000 1.209 389 P CA -0.134 63.025 63.100 0.099 0.000 0.776 389 P CB 0.519 32.277 31.700 0.096 0.000 0.876 390 I N 2.761 123.409 120.570 0.129 0.000 2.362 390 I HA 0.208 4.379 4.170 0.001 0.000 0.289 390 I C 0.265 176.491 176.117 0.182 0.000 0.994 390 I CA -1.012 60.377 61.300 0.148 0.000 1.158 390 I CB 0.700 38.816 38.000 0.194 0.000 1.315 390 I HN 0.371 nan 8.210 nan 0.000 0.451 391 N N 8.769 127.559 118.700 0.150 0.000 2.454 391 N HA 0.080 4.820 4.740 0.001 0.000 0.254 391 N C -2.053 173.580 175.510 0.205 0.000 1.228 391 N CA -0.812 52.328 53.050 0.150 0.000 0.900 391 N CB 1.419 39.967 38.487 0.101 0.000 1.089 391 N HN 0.361 nan 8.380 nan 0.000 0.449 392 P HA -0.172 nan 4.420 nan 0.000 0.218 392 P C 0.661 178.112 177.300 0.252 0.000 1.152 392 P CA 1.758 64.959 63.100 0.168 0.000 0.857 392 P CB 0.212 31.968 31.700 0.094 0.000 0.787 393 E N -0.947 119.379 120.200 0.210 0.000 2.107 393 E HA -0.065 4.286 4.350 0.001 0.000 0.191 393 E C 2.124 178.905 176.600 0.301 0.000 0.982 393 E CA 0.956 57.491 56.400 0.226 0.000 0.809 393 E CB -0.485 29.302 29.700 0.145 0.000 0.756 393 E HN 0.153 nan 8.360 nan 0.000 0.459 394 A N 0.978 123.954 122.820 0.260 0.000 1.902 394 A HA -0.193 4.128 4.320 0.001 0.000 0.217 394 A C 1.872 179.720 177.584 0.440 0.000 1.181 394 A CA 1.201 53.401 52.037 0.271 0.000 0.623 394 A CB -1.013 18.076 19.000 0.148 0.000 0.818 394 A HN 0.519 nan 8.150 nan 0.000 0.443 395 W N 0.858 122.298 121.300 0.234 0.000 2.355 395 W HA -0.162 4.498 4.660 -0.001 0.000 0.309 395 W C 2.071 178.780 176.519 0.316 0.000 1.206 395 W CA 1.644 59.152 57.345 0.271 0.000 1.284 395 W CB 0.138 29.698 29.460 0.167 0.000 1.145 395 W HN 0.312 nan 8.180 nan 0.000 0.502 396 E N -0.544 120.128 120.200 0.787 0.000 2.110 396 E HA -0.274 4.077 4.350 0.001 0.000 0.193 396 E C 1.657 178.571 176.600 0.524 0.000 0.988 396 E CA 1.721 58.517 56.400 0.661 0.000 0.804 396 E CB -1.213 28.771 29.700 0.474 0.000 0.745 396 E HN 0.595 nan 8.360 nan 0.000 0.458 397 W N 0.500 121.980 121.300 0.302 0.000 2.381 397 W HA -0.253 4.408 4.660 0.001 0.000 0.301 397 W C 2.259 178.901 176.519 0.205 0.000 1.205 397 W CA 1.403 58.879 57.345 0.217 0.000 1.285 397 W CB -0.411 29.148 29.460 0.166 0.000 1.133 397 W HN 0.089 nan 8.180 nan 0.000 0.521 398 Y N -0.452 120.042 120.300 0.323 0.000 2.114 398 Y HA -0.251 4.300 4.550 0.001 0.000 0.284 398 Y C 2.173 177.986 175.900 -0.145 0.000 1.143 398 Y CA 2.190 60.333 58.100 0.071 0.000 1.135 398 Y CB -1.546 36.964 38.460 0.082 0.000 0.980 398 Y HN 0.147 nan 8.280 nan 0.000 0.499 399 W N 1.774 122.833 121.300 -0.402 0.000 2.342 399 W HA -0.217 4.443 4.660 -0.001 0.000 0.297 399 W C 2.492 178.805 176.519 -0.343 0.000 1.213 399 W CA 2.853 59.873 57.345 -0.543 0.000 1.251 399 W CB -0.258 28.833 29.460 -0.615 0.000 1.136 399 W HN 0.089 nan 8.180 nan 0.000 0.526 400 K N -0.156 120.179 120.400 -0.109 0.000 2.098 400 K HA -0.097 4.224 4.320 0.001 0.000 0.203 400 K C 2.004 178.352 176.600 -0.420 0.000 1.051 400 K CA 1.024 57.160 56.287 -0.252 0.000 0.957 400 K CB -0.106 32.408 32.500 0.024 0.000 0.738 400 K HN -0.053 nan 8.250 nan 0.000 0.447 401 K N 0.398 120.460 120.400 -0.564 0.000 2.168 401 K HA 0.083 4.404 4.320 0.001 0.000 0.201 401 K C 2.120 178.414 176.600 -0.509 0.000 1.049 401 K CA 0.434 56.325 56.287 -0.660 0.000 0.974 401 K CB 0.179 31.913 32.500 -1.276 0.000 0.792 401 K HN 0.160 nan 8.250 nan 0.000 0.463 402 I N 0.291 120.565 120.570 -0.493 0.000 2.339 402 I HA -0.027 4.144 4.170 0.001 0.000 0.245 402 I C 2.151 178.048 176.117 -0.366 0.000 1.096 402 I CA 1.300 62.401 61.300 -0.331 0.000 1.408 402 I CB -1.467 36.411 38.000 -0.203 0.000 1.092 402 I HN 0.089 nan 8.210 nan 0.000 0.423 403 G N 0.247 108.747 108.800 -0.499 0.000 2.985 403 G HA2 -0.082 3.878 3.960 0.001 0.000 0.209 403 G HA3 -0.082 3.878 3.960 0.001 0.000 0.209 403 G C 0.913 175.507 174.900 -0.510 0.000 1.165 403 G CA -0.100 44.692 45.100 -0.514 0.000 0.776 403 G HN 0.408 nan 8.290 nan 0.000 0.541 404 K N -0.005 120.109 120.400 -0.476 0.000 3.020 404 K HA -0.244 4.077 4.320 0.001 0.000 0.266 404 K C 0.497 176.771 176.600 -0.544 0.000 1.067 404 K CA 0.855 56.893 56.287 -0.414 0.000 0.780 404 K CB -1.413 30.918 32.500 -0.282 0.000 1.220 404 K HN 0.642 nan 8.250 nan 0.000 0.483 405 E N -2.398 117.240 120.200 -0.937 0.000 3.286 405 E HA -0.307 4.043 4.350 0.001 0.000 0.292 405 E C 0.329 176.353 176.600 -0.960 0.000 0.928 405 E CA 1.476 56.958 56.400 -1.531 0.000 0.982 405 E CB -0.851 28.312 29.700 -0.894 0.000 1.500 405 E HN 0.554 nan 8.360 nan 0.000 0.441 406 K N -0.550 119.452 120.400 -0.663 0.000 2.380 406 K HA 0.201 4.521 4.320 0.001 0.000 0.198 406 K C -0.006 176.452 176.600 -0.236 0.000 1.070 406 K CA 0.299 56.392 56.287 -0.324 0.000 1.040 406 K CB 1.000 33.360 32.500 -0.233 0.000 0.903 406 K HN 0.060 nan 8.250 nan 0.000 0.549 407 C N 2.881 121.970 119.300 -0.353 0.000 2.298 407 C HA 0.406 4.866 4.460 0.001 0.000 0.323 407 C C -2.409 172.539 174.990 -0.069 0.000 1.284 407 C CA -2.050 56.846 59.018 -0.202 0.000 1.577 407 C CB 0.819 28.402 27.740 -0.262 0.000 2.249 407 C HN 0.162 nan 8.230 nan 0.000 0.497 408 P HA 0.103 nan 4.420 nan 0.000 0.266 408 P C -0.651 176.665 177.300 0.028 0.000 1.193 408 P CA 0.201 63.373 63.100 0.120 0.000 0.770 408 P CB 0.400 32.160 31.700 0.099 0.000 0.836 409 V N 4.111 124.041 119.914 0.028 0.000 2.370 409 V HA 0.220 4.340 4.120 0.001 0.000 0.283 409 V C 0.223 176.368 176.094 0.085 0.000 1.023 409 V CA -0.635 61.626 62.300 -0.064 0.000 0.857 409 V CB 1.636 33.167 31.823 -0.488 0.000 0.985 409 V HN 0.368 nan 8.190 nan 0.000 0.443 410 V N 1.341 121.293 119.914 0.063 0.000 2.334 410 V HA 0.521 4.642 4.120 0.001 0.000 0.267 410 V C -0.195 175.920 176.094 0.035 0.000 1.040 410 V CA -0.477 61.815 62.300 -0.014 0.000 0.866 410 V CB 1.295 32.985 31.823 -0.221 0.000 1.019 410 V HN 0.793 nan 8.190 nan 0.000 0.468 411 D N 5.159 125.605 120.400 0.077 0.000 2.411 411 D HA 0.285 4.925 4.640 0.001 0.000 0.225 411 D C 0.509 176.822 176.300 0.021 0.000 1.156 411 D CA 0.006 54.075 54.000 0.114 0.000 0.874 411 D CB 1.147 42.060 40.800 0.189 0.000 1.034 411 D HN 0.892 nan 8.370 nan 0.000 0.502 412 T N 1.738 116.290 114.554 -0.004 0.000 2.762 412 T HA 0.282 4.633 4.350 0.001 0.000 0.303 412 T C -0.203 174.659 174.700 0.269 0.000 0.977 412 T CA -1.008 61.027 62.100 -0.108 0.000 0.961 412 T CB 0.102 68.542 68.868 -0.713 0.000 0.944 412 T HN 0.368 nan 8.240 nan 0.000 0.481 413 W N 8.008 129.391 121.300 0.139 0.000 2.316 413 W HA 0.606 5.265 4.660 -0.001 0.000 0.311 413 W C -0.830 175.956 176.519 0.444 0.000 1.217 413 W CA -0.046 57.426 57.345 0.213 0.000 1.199 413 W CB 0.535 30.049 29.460 0.091 0.000 1.202 413 W HN 0.859 nan 8.180 nan 0.000 0.528 414 W N 4.093 124.798 121.300 -0.991 0.000 2.698 414 W HA 0.514 5.176 4.660 0.003 0.000 0.445 414 W C -1.920 174.159 176.519 -0.734 0.000 1.013 414 W CA -1.021 55.747 57.345 -0.962 0.000 1.202 414 W CB 0.111 29.459 29.460 -0.186 0.000 1.453 414 W HN 0.415 nan 8.180 nan 0.000 0.610 415 Q N -0.489 119.105 119.800 -0.344 0.000 2.575 415 Q HA 0.289 4.630 4.340 0.001 0.000 0.290 415 Q C 0.466 176.454 176.000 -0.019 0.000 0.963 415 Q CA -0.560 55.062 55.803 -0.302 0.000 0.783 415 Q CB 2.696 31.369 28.738 -0.108 0.000 1.467 415 Q HN 0.362 nan 8.270 nan 0.000 0.402 416 T N 0.359 114.912 114.554 -0.000 0.000 2.685 416 T HA -0.211 4.139 4.350 0.001 0.000 0.268 416 T C 1.030 175.971 174.700 0.403 0.000 1.034 416 T CA 2.177 64.406 62.100 0.215 0.000 1.149 416 T CB -0.078 68.902 68.868 0.187 0.000 0.860 416 T HN 0.503 nan 8.240 nan 0.000 0.449 417 E N 0.678 121.037 120.200 0.265 0.000 2.338 417 E HA -0.044 4.307 4.350 0.001 0.000 0.197 417 E C 2.349 179.114 176.600 0.275 0.000 1.007 417 E CA 1.229 57.739 56.400 0.183 0.000 0.849 417 E CB -0.223 29.504 29.700 0.045 0.000 0.774 417 E HN 0.727 nan 8.360 nan 0.000 0.506 418 T N -4.727 110.095 114.554 0.446 0.000 3.022 418 T HA 0.321 4.671 4.350 0.001 0.000 0.250 418 T C 1.792 176.932 174.700 0.733 0.000 1.060 418 T CA 0.406 62.892 62.100 0.645 0.000 1.013 418 T CB 0.485 69.580 68.868 0.378 0.000 0.982 418 T HN 0.209 nan 8.240 nan 0.000 0.508 419 G N 0.814 110.053 108.800 0.731 0.000 2.480 419 G HA2 -0.023 3.938 3.960 0.001 0.000 0.246 419 G HA3 -0.023 3.938 3.960 0.001 0.000 0.246 419 G C 0.550 175.668 174.900 0.363 0.000 1.073 419 G CA 0.044 45.465 45.100 0.535 0.000 0.643 419 G HN 1.419 nan 8.290 nan 0.000 0.525 420 G N -1.657 107.331 108.800 0.313 0.000 2.682 420 G HA2 0.612 4.572 3.960 0.001 0.000 0.303 420 G HA3 0.612 4.572 3.960 0.001 0.000 0.303 420 G C -0.290 174.454 174.900 -0.261 0.000 1.341 420 G CA -0.657 44.271 45.100 -0.287 0.000 0.784 420 G HN 0.589 nan 8.290 nan 0.000 0.497 421 F N 0.855 120.386 119.950 -0.698 0.000 2.629 421 F HA 0.078 4.605 4.527 -0.001 0.000 0.369 421 F C 1.703 177.405 175.800 -0.162 0.000 1.125 421 F CA -0.148 57.486 58.000 -0.611 0.000 1.330 421 F CB 0.568 39.113 39.000 -0.758 0.000 1.071 421 F HN 0.068 nan 8.300 nan 0.000 0.595 422 M N 2.869 122.597 119.600 0.214 0.000 2.879 422 M HA 0.332 4.812 4.480 0.001 0.000 0.241 422 M C 0.044 176.529 176.300 0.307 0.000 1.523 422 M CA 0.752 56.184 55.300 0.219 0.000 1.195 422 M CB 0.464 33.144 32.600 0.134 0.000 1.277 422 M HN 0.354 nan 8.290 nan 0.000 0.557 423 I N 0.296 121.081 120.570 0.357 0.000 2.478 423 I HA 0.436 4.607 4.170 0.001 0.000 0.287 423 I C -0.557 175.634 176.117 0.123 0.000 1.042 423 I CA -0.265 61.168 61.300 0.222 0.000 1.067 423 I CB 2.273 40.373 38.000 0.165 0.000 1.233 423 I HN 0.047 nan 8.210 nan 0.000 0.431 424 T N 6.438 120.991 114.554 -0.001 0.000 2.977 424 T HA 0.403 4.754 4.350 0.001 0.000 0.345 424 T C -2.968 171.627 174.700 -0.175 0.000 1.562 424 T CA -1.017 61.014 62.100 -0.116 0.000 1.090 424 T CB 2.077 70.802 68.868 -0.240 0.000 1.383 424 T HN 0.143 nan 8.240 nan 0.000 0.484 425 P HA 0.520 nan 4.420 nan 0.000 0.274 425 P C -1.135 176.059 177.300 -0.177 0.000 1.237 425 P CA -0.510 62.463 63.100 -0.212 0.000 0.793 425 P CB 0.419 32.043 31.700 -0.126 0.000 0.977 426 L N 4.043 125.164 121.223 -0.169 0.000 2.313 426 L HA 0.389 4.730 4.340 0.001 0.000 0.283 426 L C -1.392 175.451 176.870 -0.045 0.000 1.013 426 L CA -1.779 53.013 54.840 -0.080 0.000 0.816 426 L CB 1.468 43.506 42.059 -0.036 0.000 1.236 426 L HN 0.299 nan 8.230 nan 0.000 0.419 427 P HA -0.099 nan 4.420 nan 0.000 0.218 427 P C 1.047 178.376 177.300 0.048 0.000 1.148 427 P CA 1.120 64.238 63.100 0.030 0.000 0.822 427 P CB 0.386 32.114 31.700 0.048 0.000 0.784 428 G N -1.458 107.375 108.800 0.055 0.000 3.189 428 G HA2 0.293 4.254 3.960 0.001 0.000 0.225 428 G HA3 0.293 4.254 3.960 0.001 0.000 0.225 428 G C 1.229 176.158 174.900 0.049 0.000 1.159 428 G CA 0.629 45.766 45.100 0.062 0.000 0.763 428 G HN 0.374 nan 8.290 nan 0.000 0.549 429 A N -0.149 122.682 122.820 0.019 0.000 2.026 429 A HA 0.595 4.915 4.320 0.001 0.000 0.198 429 A C 0.522 178.074 177.584 -0.055 0.000 1.390 429 A CA 0.217 52.254 52.037 -0.000 0.000 0.915 429 A CB 0.504 19.506 19.000 0.004 0.000 0.974 429 A HN 0.205 nan 8.150 nan 0.000 0.477 430 I N 1.315 121.831 120.570 -0.090 0.000 2.418 430 I HA 0.247 4.417 4.170 0.001 0.000 0.287 430 I C -0.793 175.329 176.117 0.008 0.000 1.008 430 I CA -0.462 60.771 61.300 -0.111 0.000 1.104 430 I CB 2.021 39.837 38.000 -0.307 0.000 1.264 430 I HN 0.213 nan 8.210 nan 0.000 0.438 431 E N 6.041 126.295 120.200 0.089 0.000 2.373 431 E HA 0.352 4.703 4.350 0.001 0.000 0.267 431 E C -0.980 175.732 176.600 0.187 0.000 1.032 431 E CA -0.330 56.148 56.400 0.130 0.000 0.889 431 E CB 1.056 30.818 29.700 0.103 0.000 0.984 431 E HN 0.390 nan 8.360 nan 0.000 0.425 432 L N 2.708 124.033 121.223 0.170 0.000 2.325 432 L HA 0.424 4.765 4.340 0.001 0.000 0.279 432 L C 0.036 176.918 176.870 0.020 0.000 1.054 432 L CA -0.641 54.283 54.840 0.141 0.000 0.804 432 L CB 0.880 43.076 42.059 0.228 0.000 1.200 432 L HN 0.289 nan 8.230 nan 0.000 0.436 433 K N 2.043 122.383 120.400 -0.101 0.000 2.358 433 K HA 0.551 4.871 4.320 0.001 0.000 0.260 433 K C -0.449 175.743 176.600 -0.680 0.000 0.956 433 K CA -0.657 55.465 56.287 -0.275 0.000 0.834 433 K CB 2.067 34.492 32.500 -0.124 0.000 1.102 433 K HN 0.701 nan 8.250 nan 0.000 0.431 434 A N 1.979 124.218 122.820 -0.968 0.000 2.553 434 A HA 0.340 4.660 4.320 0.001 0.000 0.258 434 A C 1.259 178.500 177.584 -0.572 0.000 1.069 434 A CA 1.239 52.400 52.037 -1.461 0.000 0.767 434 A CB -0.845 17.611 19.000 -0.906 0.000 0.997 434 A HN 1.023 nan 8.150 nan 0.000 0.512 435 G N 1.289 109.783 108.800 -0.510 0.000 2.213 435 G HA2 -0.171 3.790 3.960 0.001 0.000 0.236 435 G HA3 -0.171 3.790 3.960 0.001 0.000 0.236 435 G C 0.569 175.291 174.900 -0.297 0.000 0.991 435 G CA 0.482 45.552 45.100 -0.050 0.000 0.629 435 G HN 1.717 nan 8.290 nan 0.000 0.517 436 S N 0.236 115.442 115.700 -0.824 0.000 2.508 436 S HA 0.721 5.192 4.470 0.001 0.000 0.284 436 S C 1.346 175.682 174.600 -0.440 0.000 1.192 436 S CA 0.694 58.261 58.200 -1.055 0.000 1.070 436 S CB 1.422 63.655 63.200 -1.613 0.000 1.004 436 S HN 1.494 nan 8.310 nan 0.000 0.493 437 A N 3.670 126.314 122.820 -0.292 0.000 2.167 437 A HA 0.253 4.573 4.320 0.001 0.000 0.214 437 A C 1.469 178.921 177.584 -0.221 0.000 1.151 437 A CA 1.405 53.364 52.037 -0.131 0.000 0.735 437 A CB -1.350 17.662 19.000 0.019 0.000 0.802 437 A HN 1.906 nan 8.150 nan 0.000 0.467 438 T N -2.401 111.930 114.554 -0.371 0.000 14.092 438 T HA -0.287 4.064 4.350 0.001 0.000 0.419 438 T C 0.286 174.755 174.700 -0.385 0.000 1.441 438 T CA 1.333 63.035 62.100 -0.663 0.000 2.334 438 T CB -1.111 67.206 68.868 -0.918 0.000 2.762 438 T HN 0.720 nan 8.240 nan 0.000 0.298 439 R N 2.638 122.904 120.500 -0.389 0.000 2.732 439 R HA 0.660 5.001 4.340 0.001 0.000 0.278 439 R C -2.557 173.714 176.300 -0.048 0.000 0.976 439 R CA -2.259 53.719 56.100 -0.203 0.000 0.963 439 R CB 1.601 31.681 30.300 -0.366 0.000 1.150 439 R HN 0.544 nan 8.270 nan 0.000 0.478 440 P HA -0.047 nan 4.420 nan 0.000 0.269 440 P C -0.652 176.804 177.300 0.259 0.000 1.215 440 P CA -0.013 63.175 63.100 0.146 0.000 0.780 440 P CB 0.453 32.276 31.700 0.205 0.000 0.898 441 F N 1.937 121.989 119.950 0.169 0.000 2.399 441 F HA 0.299 4.831 4.527 0.008 0.000 0.313 441 F C 0.498 176.489 175.800 0.319 0.000 1.202 441 F CA -0.487 57.574 58.000 0.103 0.000 1.192 441 F CB 0.053 39.112 39.000 0.098 0.000 1.256 441 F HN 0.171 nan 8.300 nan 0.000 0.558 442 F N 2.461 122.158 119.950 -0.422 0.000 2.623 442 F HA 0.245 4.777 4.527 0.008 0.000 0.383 442 F C 1.446 177.428 175.800 0.304 0.000 1.077 442 F CA 0.633 58.444 58.000 -0.316 0.000 1.268 442 F CB -0.356 38.223 39.000 -0.702 0.000 1.053 442 F HN 0.731 nan 8.300 nan 0.000 0.571 443 G N 1.763 110.763 108.800 0.333 0.000 2.195 443 G HA2 -0.252 3.709 3.960 0.001 0.000 0.246 443 G HA3 -0.252 3.709 3.960 0.001 0.000 0.246 443 G C -0.366 174.829 174.900 0.491 0.000 0.984 443 G CA -0.143 45.334 45.100 0.630 0.000 0.633 443 G HN 0.579 nan 8.290 nan 0.000 0.525 444 V N 1.379 121.547 119.914 0.423 0.000 2.347 444 V HA 0.525 4.645 4.120 0.001 0.000 0.280 444 V C 0.223 176.521 176.094 0.339 0.000 1.021 444 V CA -0.220 62.276 62.300 0.327 0.000 0.847 444 V CB 1.542 33.520 31.823 0.258 0.000 0.990 444 V HN 0.367 nan 8.190 nan 0.000 0.444 445 Q N 6.912 126.889 119.800 0.296 0.000 2.560 445 Q HA 0.334 4.674 4.340 0.001 0.000 0.238 445 Q C -2.516 173.626 176.000 0.238 0.000 1.079 445 Q CA -1.666 54.309 55.803 0.286 0.000 0.866 445 Q CB 2.068 30.965 28.738 0.265 0.000 1.153 445 Q HN 0.525 nan 8.270 nan 0.000 0.530 446 P HA 0.419 nan 4.420 nan 0.000 0.279 446 P C -1.151 176.233 177.300 0.140 0.000 1.252 446 P CA -0.246 62.892 63.100 0.063 0.000 0.811 446 P CB 1.588 33.129 31.700 -0.264 0.000 1.035 447 A N 1.877 124.772 122.820 0.125 0.000 2.594 447 A HA 0.719 5.039 4.320 0.001 0.000 0.291 447 A C -1.419 176.225 177.584 0.101 0.000 1.105 447 A CA -0.775 51.349 52.037 0.146 0.000 0.694 447 A CB 1.036 20.108 19.000 0.119 0.000 1.291 447 A HN 0.431 nan 8.150 nan 0.000 0.410 448 L N 1.430 122.709 121.223 0.094 0.000 2.313 448 L HA 0.691 5.031 4.340 0.001 0.000 0.283 448 L C -0.334 176.501 176.870 -0.059 0.000 1.013 448 L CA -1.016 53.842 54.840 0.030 0.000 0.816 448 L CB 1.633 43.739 42.059 0.078 0.000 1.236 448 L HN 0.691 nan 8.230 nan 0.000 0.419 449 V N -1.204 118.594 119.914 -0.193 0.000 2.864 449 V HA 0.636 4.756 4.120 0.001 0.000 0.314 449 V C -0.568 175.368 176.094 -0.263 0.000 1.073 449 V CA -0.888 61.239 62.300 -0.289 0.000 0.956 449 V CB 1.941 33.415 31.823 -0.582 0.000 1.023 449 V HN 0.760 nan 8.190 nan 0.000 0.435 450 D N 2.059 122.366 120.400 -0.155 0.000 2.414 450 D HA 0.164 4.805 4.640 0.001 0.000 0.259 450 D C 0.694 176.950 176.300 -0.074 0.000 1.269 450 D CA -0.402 53.551 54.000 -0.079 0.000 1.028 450 D CB 0.124 40.931 40.800 0.011 0.000 1.093 450 D HN 0.410 nan 8.370 nan 0.000 0.545 451 N N -0.725 117.980 118.700 0.008 0.000 2.443 451 N HA -0.098 4.643 4.740 0.001 0.000 0.184 451 N C 0.614 176.168 175.510 0.073 0.000 1.037 451 N CA 0.667 53.762 53.050 0.075 0.000 0.896 451 N CB -0.074 38.432 38.487 0.033 0.000 0.959 451 N HN 0.450 nan 8.380 nan 0.000 0.442 452 E N -1.170 118.995 120.200 -0.058 0.000 2.476 452 E HA 0.265 4.616 4.350 0.001 0.000 0.199 452 E C 1.071 177.529 176.600 -0.236 0.000 1.021 452 E CA 0.263 56.545 56.400 -0.197 0.000 0.907 452 E CB 0.161 29.641 29.700 -0.367 0.000 0.974 452 E HN 0.248 nan 8.360 nan 0.000 0.489 453 G N 0.935 109.655 108.800 -0.133 0.000 2.141 453 G HA2 -0.288 3.673 3.960 0.001 0.000 0.242 453 G HA3 -0.288 3.673 3.960 0.001 0.000 0.242 453 G C -0.431 174.371 174.900 -0.164 0.000 0.982 453 G CA -0.073 44.955 45.100 -0.119 0.000 0.662 453 G HN 0.471 nan 8.290 nan 0.000 0.527 454 H N 1.313 120.368 119.070 -0.024 0.000 2.819 454 H HA 0.397 4.954 4.556 0.000 0.000 0.303 454 H C -2.188 173.108 175.328 -0.053 0.000 1.058 454 H CA -1.552 54.483 56.048 -0.022 0.000 1.471 454 H CB 0.793 30.551 29.762 -0.007 0.000 1.480 454 H HN 0.158 nan 8.280 nan 0.000 0.517 455 P HA -0.031 nan 4.420 nan 0.000 0.268 455 P C -0.581 176.744 177.300 0.042 0.000 1.204 455 P CA -0.104 63.015 63.100 0.031 0.000 0.768 455 P CB 0.702 32.431 31.700 0.048 0.000 0.842 456 Q N 2.712 122.527 119.800 0.025 0.000 2.325 456 Q HA 0.293 4.634 4.340 0.001 0.000 0.262 456 Q C 0.086 176.103 176.000 0.027 0.000 0.968 456 Q CA -0.334 55.483 55.803 0.024 0.000 0.877 456 Q CB 1.749 30.495 28.738 0.014 0.000 1.253 456 Q HN 0.463 nan 8.270 nan 0.000 0.448 457 E N 0.629 120.842 120.200 0.021 0.000 2.222 457 E HA 0.691 5.042 4.350 0.001 0.000 0.267 457 E C 0.528 177.131 176.600 0.005 0.000 0.963 457 E CA -0.600 55.813 56.400 0.021 0.000 0.837 457 E CB 1.527 31.242 29.700 0.024 0.000 1.183 457 E HN 0.719 nan 8.360 nan 0.000 0.403 458 G N 0.880 109.680 108.800 0.000 0.000 2.642 458 G HA2 -0.125 3.836 3.960 0.001 0.000 0.231 458 G HA3 -0.125 3.836 3.960 0.001 0.000 0.231 458 G C -0.281 174.599 174.900 -0.034 0.000 1.338 458 G CA -0.369 44.722 45.100 -0.015 0.000 0.883 458 G HN 0.794 nan 8.290 nan 0.000 0.570 459 A N -0.157 122.639 122.820 -0.040 0.000 2.438 459 A HA 0.706 5.026 4.320 0.001 0.000 0.280 459 A C 0.730 178.286 177.584 -0.047 0.000 1.160 459 A CA 1.887 53.892 52.037 -0.054 0.000 0.821 459 A CB 0.201 19.166 19.000 -0.058 0.000 1.101 459 A HN 2.205 nan 8.150 nan 0.000 0.515 460 T N 1.101 115.628 114.554 -0.046 0.000 2.661 460 T HA 0.569 4.919 4.350 0.001 0.000 0.305 460 T C -1.698 172.990 174.700 -0.020 0.000 1.441 460 T CA -0.144 61.938 62.100 -0.030 0.000 0.999 460 T CB 1.129 69.988 68.868 -0.015 0.000 1.650 460 T HN 0.892 nan 8.240 nan 0.000 0.489 461 E N 0.027 120.222 120.200 -0.008 0.000 2.367 461 E HA 0.744 5.095 4.350 0.001 0.000 0.273 461 E C -0.305 176.302 176.600 0.012 0.000 0.903 461 E CA -1.122 55.283 56.400 0.009 0.000 0.764 461 E CB 2.024 31.725 29.700 0.001 0.000 1.252 461 E HN 1.012 nan 8.360 nan 0.000 0.446 462 G N 1.012 109.826 108.800 0.023 0.000 2.348 462 G HA2 0.139 4.099 3.960 0.001 0.000 0.296 462 G HA3 0.139 4.099 3.960 0.001 0.000 0.296 462 G C -1.410 173.504 174.900 0.024 0.000 1.258 462 G CA -1.018 44.086 45.100 0.006 0.000 0.868 462 G HN 0.450 nan 8.290 nan 0.000 0.488 463 N N 0.628 119.319 118.700 -0.016 0.000 2.475 463 N HA 0.250 4.991 4.740 0.001 0.000 0.267 463 N C -0.546 175.005 175.510 0.068 0.000 1.169 463 N CA -0.228 52.867 53.050 0.075 0.000 0.947 463 N CB 1.987 40.427 38.487 -0.079 0.000 1.061 463 N HN 0.392 nan 8.380 nan 0.000 0.466 464 L N 4.349 125.680 121.223 0.181 0.000 2.315 464 L HA 0.242 4.583 4.340 0.001 0.000 0.283 464 L C -0.263 176.734 176.870 0.211 0.000 1.089 464 L CA -0.440 54.449 54.840 0.081 0.000 0.833 464 L CB 0.382 42.380 42.059 -0.102 0.000 1.170 464 L HN 0.312 nan 8.230 nan 0.000 0.442 465 V N 3.670 123.676 119.914 0.154 0.000 2.960 465 V HA 0.683 4.803 4.120 0.001 0.000 0.315 465 V C -0.363 175.900 176.094 0.281 0.000 1.087 465 V CA -0.893 61.554 62.300 0.245 0.000 0.982 465 V CB 2.177 34.095 31.823 0.157 0.000 1.039 465 V HN 0.515 nan 8.190 nan 0.000 0.437 466 I N 2.821 123.659 120.570 0.447 0.000 2.406 466 I HA 0.411 4.582 4.170 0.001 0.000 0.290 466 I C 1.107 177.609 176.117 0.643 0.000 0.999 466 I CA -0.046 61.552 61.300 0.497 0.000 1.124 466 I CB 1.551 39.857 38.000 0.509 0.000 1.289 466 I HN 0.985 nan 8.210 nan 0.000 0.441 467 T N -0.338 114.524 114.554 0.513 0.000 3.086 467 T HA 0.206 4.557 4.350 0.001 0.000 0.250 467 T C 0.319 175.261 174.700 0.403 0.000 1.074 467 T CA 0.113 62.492 62.100 0.465 0.000 0.988 467 T CB 0.296 69.340 68.868 0.292 0.000 0.988 467 T HN 0.546 nan 8.240 nan 0.000 0.530 468 D N -0.315 120.361 120.400 0.459 0.000 2.639 468 D HA 0.428 5.069 4.640 0.001 0.000 0.271 468 D C -1.223 175.334 176.300 0.428 0.000 1.254 468 D CA -0.478 53.586 54.000 0.107 0.000 0.810 468 D CB 2.149 43.025 40.800 0.126 0.000 1.351 468 D HN 0.030 nan 8.370 nan 0.000 0.427 469 S N -0.247 115.546 115.700 0.156 0.000 2.645 469 S HA 0.753 5.223 4.470 0.001 0.000 0.266 469 S C -1.064 173.928 174.600 0.653 0.000 1.258 469 S CA -0.440 58.002 58.200 0.403 0.000 0.990 469 S CB 0.333 63.663 63.200 0.217 0.000 0.967 469 S HN 0.352 nan 8.310 nan 0.000 0.556 470 W N 0.603 122.014 121.300 0.185 0.000 3.167 470 W HA 0.514 5.174 4.660 -0.000 0.000 0.324 470 W C -2.965 172.824 176.519 -1.216 0.000 1.230 470 W CA -1.882 55.210 57.345 -0.421 0.000 1.184 470 W CB -0.024 29.243 29.460 -0.322 0.000 1.414 470 W HN 0.341 nan 8.180 nan 0.000 0.551 471 P HA -0.108 nan 4.420 nan 0.000 0.217 471 P C 1.597 178.273 177.300 -1.040 0.000 1.148 471 P CA 2.904 64.741 63.100 -2.104 0.000 0.828 471 P CB 0.076 30.860 31.700 -1.527 0.000 0.783 472 G N -1.346 106.906 108.800 -0.913 0.000 2.985 472 G HA2 -0.087 3.874 3.960 0.001 0.000 0.209 472 G HA3 -0.087 3.874 3.960 0.001 0.000 0.209 472 G C 0.490 175.308 174.900 -0.136 0.000 1.165 472 G CA -0.140 44.769 45.100 -0.318 0.000 0.776 472 G HN 0.287 nan 8.290 nan 0.000 0.541 473 Q N 0.936 120.299 119.800 -0.728 0.000 2.311 473 Q HA 0.456 4.797 4.340 0.001 0.000 0.272 473 Q C 0.538 176.375 176.000 -0.271 0.000 1.012 473 Q CA -0.541 54.855 55.803 -0.678 0.000 0.891 473 Q CB 0.675 28.581 28.738 -1.386 0.000 1.201 473 Q HN 0.219 nan 8.270 nan 0.000 0.391 474 A N 4.212 126.887 122.820 -0.241 0.000 2.531 474 A HA -0.017 4.304 4.320 0.001 0.000 0.236 474 A C 0.483 177.885 177.584 -0.304 0.000 1.062 474 A CA -0.064 51.646 52.037 -0.545 0.000 0.760 474 A CB 0.362 19.084 19.000 -0.464 0.000 0.995 474 A HN 0.889 nan 8.150 nan 0.000 0.501 475 R N 0.239 120.464 120.500 -0.459 0.000 2.237 475 R HA 0.174 4.515 4.340 0.001 0.000 0.195 475 R C 0.554 176.331 176.300 -0.872 0.000 0.956 475 R CA 1.149 57.008 56.100 -0.401 0.000 1.029 475 R CB -0.280 29.863 30.300 -0.261 0.000 0.972 475 R HN 0.822 nan 8.270 nan 0.000 0.493 476 T N -0.792 113.052 114.554 -1.184 0.000 2.663 476 T HA 0.443 4.793 4.350 0.001 0.000 0.305 476 T C -1.827 172.468 174.700 -0.675 0.000 1.660 476 T CA -0.650 60.657 62.100 -1.321 0.000 0.976 476 T CB 0.709 69.343 68.868 -0.390 0.000 1.705 476 T HN -0.069 nan 8.240 nan 0.000 0.494 477 L N 2.545 123.629 121.223 -0.233 0.000 2.282 477 L HA 0.563 4.903 4.340 0.001 0.000 0.288 477 L C -0.009 176.878 176.870 0.029 0.000 1.033 477 L CA -0.957 53.903 54.840 0.033 0.000 0.807 477 L CB 0.941 43.122 42.059 0.202 0.000 1.209 477 L HN 0.676 nan 8.230 nan 0.000 0.423 478 F N 3.483 123.377 119.950 -0.093 0.000 2.580 478 F HA 0.143 4.671 4.527 0.000 0.000 0.398 478 F C 1.370 177.170 175.800 -0.001 0.000 1.023 478 F CA 1.253 59.214 58.000 -0.065 0.000 1.188 478 F CB 0.197 39.152 39.000 -0.075 0.000 1.005 478 F HN 0.771 nan 8.300 nan 0.000 0.546 479 G N 3.874 112.263 108.800 -0.685 0.000 2.168 479 G HA2 -0.309 3.651 3.960 0.001 0.000 0.263 479 G HA3 -0.309 3.651 3.960 0.001 0.000 0.263 479 G C -0.047 174.746 174.900 -0.179 0.000 0.977 479 G CA 0.394 45.175 45.100 -0.532 0.000 0.659 479 G HN 0.857 nan 8.290 nan 0.000 0.533 480 D N -1.553 118.807 120.400 -0.068 0.000 2.823 480 D HA 0.276 4.917 4.640 0.001 0.000 0.255 480 D C 0.784 177.153 176.300 0.115 0.000 1.257 480 D CA -0.511 53.510 54.000 0.035 0.000 0.803 480 D CB -0.119 40.716 40.800 0.059 0.000 1.384 480 D HN 0.222 nan 8.370 nan 0.000 0.541 481 H N 1.089 120.174 119.070 0.024 0.000 2.456 481 H HA 0.017 4.574 4.556 0.001 0.000 0.296 481 H C 1.397 176.839 175.328 0.191 0.000 1.079 481 H CA 1.919 58.027 56.048 0.100 0.000 1.322 481 H CB 0.674 30.451 29.762 0.025 0.000 1.388 481 H HN 0.341 nan 8.280 nan 0.000 0.538 482 E N -0.450 119.847 120.200 0.162 0.000 2.106 482 E HA -0.179 4.172 4.350 0.001 0.000 0.192 482 E C 2.181 178.831 176.600 0.083 0.000 0.984 482 E CA 0.814 57.277 56.400 0.105 0.000 0.806 482 E CB 0.070 29.821 29.700 0.086 0.000 0.750 482 E HN 0.238 nan 8.360 nan 0.000 0.458 483 R N 0.555 121.116 120.500 0.100 0.000 2.115 483 R HA -0.108 4.232 4.340 0.001 0.000 0.226 483 R C 1.878 178.261 176.300 0.139 0.000 1.100 483 R CA 0.810 56.963 56.100 0.089 0.000 0.980 483 R CB -0.591 29.761 30.300 0.088 0.000 0.875 483 R HN 0.137 nan 8.270 nan 0.000 0.445 484 F N 1.491 121.464 119.950 0.037 0.000 2.095 484 F HA -0.164 4.363 4.527 0.000 0.000 0.298 484 F C 2.121 178.073 175.800 0.253 0.000 1.104 484 F CA 2.309 60.398 58.000 0.149 0.000 1.232 484 F CB -0.492 38.492 39.000 -0.026 0.000 0.987 484 F HN 0.252 nan 8.300 nan 0.000 0.475 485 E N -0.561 119.670 120.200 0.053 0.000 2.051 485 E HA -0.241 4.110 4.350 0.001 0.000 0.192 485 E C 2.159 178.812 176.600 0.089 0.000 0.991 485 E CA 1.316 57.757 56.400 0.069 0.000 0.799 485 E CB -0.142 29.564 29.700 0.011 0.000 0.748 485 E HN 0.423 nan 8.360 nan 0.000 0.449 486 Q N 0.036 119.851 119.800 0.026 0.000 2.084 486 Q HA -0.109 4.231 4.340 0.001 0.000 0.202 486 Q C 2.323 178.257 176.000 -0.109 0.000 0.978 486 Q CA 1.902 57.691 55.803 -0.023 0.000 0.844 486 Q CB -0.686 28.040 28.738 -0.020 0.000 0.898 486 Q HN 0.330 nan 8.270 nan 0.000 0.426 487 T N 0.109 114.548 114.554 -0.192 0.000 2.746 487 T HA -0.133 4.217 4.350 0.001 0.000 0.267 487 T C 1.248 175.559 174.700 -0.649 0.000 1.039 487 T CA 1.501 63.321 62.100 -0.466 0.000 1.142 487 T CB -0.208 68.253 68.868 -0.677 0.000 0.866 487 T HN 0.352 nan 8.240 nan 0.000 0.444 488 Y N -1.852 118.262 120.300 -0.309 0.000 2.467 488 Y HA 0.396 4.946 4.550 0.001 0.000 0.259 488 Y C 1.041 176.467 175.900 -0.791 0.000 1.084 488 Y CA -0.406 57.300 58.100 -0.658 0.000 1.275 488 Y CB 0.634 38.500 38.460 -0.990 0.000 1.208 488 Y HN 0.128 nan 8.280 nan 0.000 0.511 489 F N -1.431 118.468 119.950 -0.084 0.000 2.724 489 F HA 0.184 4.711 4.527 -0.000 0.000 0.310 489 F C 1.718 177.497 175.800 -0.035 0.000 1.107 489 F CA 0.045 58.008 58.000 -0.062 0.000 1.218 489 F CB 0.531 39.461 39.000 -0.117 0.000 1.042 489 F HN -0.042 nan 8.300 nan 0.000 0.540 490 S N -2.216 113.505 115.700 0.035 0.000 2.514 490 S HA -0.009 4.461 4.470 0.001 0.000 0.223 490 S C 1.697 176.221 174.600 -0.127 0.000 1.046 490 S CA 0.656 58.845 58.200 -0.017 0.000 0.914 490 S CB -0.459 62.721 63.200 -0.034 0.000 0.807 490 S HN 0.120 nan 8.310 nan 0.000 0.497 491 T N 1.688 116.089 114.554 -0.255 0.000 2.737 491 T HA 0.165 4.516 4.350 0.001 0.000 0.265 491 T C -0.118 174.124 174.700 -0.763 0.000 1.038 491 T CA 1.004 62.732 62.100 -0.619 0.000 1.144 491 T CB -0.424 67.892 68.868 -0.920 0.000 0.866 491 T HN 0.503 nan 8.240 nan 0.000 0.434 492 F N 1.426 121.307 119.950 -0.116 0.000 2.532 492 F HA 0.477 5.005 4.527 0.002 0.000 0.365 492 F C -0.112 175.707 175.800 0.033 0.000 1.112 492 F CA -1.483 56.468 58.000 -0.081 0.000 1.082 492 F CB 0.919 39.835 39.000 -0.141 0.000 1.319 492 F HN -0.393 nan 8.300 nan 0.000 0.457 493 K N 2.640 123.148 120.400 0.181 0.000 2.511 493 K HA -0.002 4.319 4.320 0.001 0.000 0.280 493 K C 0.916 177.663 176.600 0.246 0.000 1.008 493 K CA 0.648 57.044 56.287 0.181 0.000 1.050 493 K CB -0.093 32.482 32.500 0.126 0.000 0.889 493 K HN 0.581 nan 8.250 nan 0.000 0.484 494 N N 0.889 119.773 118.700 0.308 0.000 2.948 494 N HA -0.200 4.540 4.740 0.001 0.000 0.239 494 N C -0.968 174.868 175.510 0.543 0.000 0.954 494 N CA 1.133 54.414 53.050 0.385 0.000 0.941 494 N CB -0.638 38.004 38.487 0.258 0.000 1.101 494 N HN 0.543 nan 8.380 nan 0.000 0.579 495 M N -0.045 119.863 119.600 0.515 0.000 2.530 495 M HA 0.257 4.737 4.480 0.001 0.000 0.307 495 M C -0.363 176.143 176.300 0.344 0.000 1.161 495 M CA -0.771 54.848 55.300 0.533 0.000 0.903 495 M CB 2.088 34.908 32.600 0.367 0.000 1.711 495 M HN 0.079 nan 8.290 nan 0.000 0.451 496 Y N 2.472 122.846 120.300 0.124 0.000 2.436 496 Y HA 0.369 4.919 4.550 0.001 0.000 0.343 496 Y C -1.385 174.573 175.900 0.097 0.000 1.008 496 Y CA -0.527 57.403 58.100 -0.284 0.000 1.241 496 Y CB 0.297 38.668 38.460 -0.150 0.000 1.153 496 Y HN 0.487 nan 8.280 nan 0.000 0.521 497 F N 6.181 125.702 119.950 -0.716 0.000 2.405 497 F HA 0.277 4.804 4.527 0.000 0.000 0.355 497 F C 1.088 176.513 175.800 -0.624 0.000 1.121 497 F CA -0.997 56.771 58.000 -0.388 0.000 1.112 497 F CB 1.146 40.116 39.000 -0.050 0.000 1.126 497 F HN 0.589 nan 8.300 nan 0.000 0.481 498 S N 3.270 118.619 115.700 -0.585 0.000 2.470 498 S HA 0.206 4.676 4.470 0.001 0.000 0.225 498 S C 1.637 175.902 174.600 -0.558 0.000 1.006 498 S CA 0.452 58.438 58.200 -0.357 0.000 0.934 498 S CB -0.485 62.883 63.200 0.280 0.000 0.778 498 S HN 1.735 nan 8.310 nan 0.000 0.517 499 G N 0.827 108.793 108.800 -1.390 0.000 2.179 499 G HA2 -0.189 3.771 3.960 0.001 0.000 0.260 499 G HA3 -0.189 3.771 3.960 0.001 0.000 0.260 499 G C -0.368 174.383 174.900 -0.249 0.000 0.977 499 G CA 0.255 44.804 45.100 -0.919 0.000 0.641 499 G HN 0.555 nan 8.290 nan 0.000 0.533 500 D N 0.437 120.777 120.400 -0.101 0.000 2.229 500 D HA 0.574 5.215 4.640 0.001 0.000 0.249 500 D C 0.766 177.122 176.300 0.093 0.000 1.027 500 D CA 0.743 54.770 54.000 0.046 0.000 0.923 500 D CB 1.402 42.243 40.800 0.068 0.000 1.174 500 D HN 0.385 nan 8.370 nan 0.000 0.443 501 G N -0.705 108.138 108.800 0.071 0.000 2.410 501 G HA2 0.647 4.608 3.960 0.001 0.000 0.330 501 G HA3 0.647 4.608 3.960 0.001 0.000 0.330 501 G C -1.104 173.803 174.900 0.012 0.000 1.142 501 G CA -0.395 44.745 45.100 0.067 0.000 0.902 501 G HN 0.517 nan 8.290 nan 0.000 0.491 502 A N 1.291 124.129 122.820 0.030 0.000 2.587 502 A HA 0.877 5.198 4.320 0.001 0.000 0.293 502 A C -0.364 177.281 177.584 0.101 0.000 1.087 502 A CA -0.859 51.212 52.037 0.058 0.000 0.692 502 A CB 1.717 20.738 19.000 0.035 0.000 1.291 502 A HN 1.123 nan 8.150 nan 0.000 0.407 503 R N 0.775 121.358 120.500 0.138 0.000 2.664 503 R HA 0.793 5.134 4.340 0.001 0.000 0.286 503 R C -0.691 175.677 176.300 0.112 0.000 0.967 503 R CA -0.627 55.527 56.100 0.091 0.000 0.933 503 R CB 1.576 31.883 30.300 0.011 0.000 1.146 503 R HN 0.759 nan 8.270 nan 0.000 0.468 504 R N 2.054 122.534 120.500 -0.033 0.000 2.494 504 R HA 0.190 4.530 4.340 0.001 0.000 0.305 504 R C -0.973 175.284 176.300 -0.071 0.000 0.959 504 R CA -0.632 55.345 56.100 -0.206 0.000 0.864 504 R CB 1.142 31.160 30.300 -0.471 0.000 1.159 504 R HN 0.911 nan 8.270 nan 0.000 0.446 505 D N 2.243 122.657 120.400 0.024 0.000 2.506 505 D HA 0.054 4.695 4.640 0.001 0.000 0.272 505 D C 0.333 176.617 176.300 -0.026 0.000 1.214 505 D CA -0.440 53.565 54.000 0.009 0.000 1.067 505 D CB 0.532 41.390 40.800 0.097 0.000 1.117 505 D HN 0.439 nan 8.370 nan 0.000 0.578 506 E N -0.870 119.306 120.200 -0.040 0.000 2.265 506 E HA -0.098 4.253 4.350 0.001 0.000 0.196 506 E C 0.790 177.371 176.600 -0.032 0.000 0.996 506 E CA 1.058 57.433 56.400 -0.041 0.000 0.832 506 E CB -0.101 29.571 29.700 -0.047 0.000 0.756 506 E HN 0.382 nan 8.360 nan 0.000 0.491 507 D N -1.237 119.139 120.400 -0.040 0.000 2.349 507 D HA 0.076 4.717 4.640 0.001 0.000 0.215 507 D C 1.047 177.407 176.300 0.100 0.000 1.016 507 D CA 0.864 54.848 54.000 -0.027 0.000 0.870 507 D CB 0.638 41.294 40.800 -0.240 0.000 0.917 507 D HN 0.292 nan 8.370 nan 0.000 0.524 508 G N 0.581 109.416 108.800 0.058 0.000 2.157 508 G HA2 -0.280 3.680 3.960 0.001 0.000 0.248 508 G HA3 -0.280 3.680 3.960 0.001 0.000 0.248 508 G C -0.085 174.825 174.900 0.017 0.000 0.979 508 G CA -0.309 44.792 45.100 0.003 0.000 0.650 508 G HN 0.205 nan 8.290 nan 0.000 0.529 509 Y N 0.195 120.410 120.300 -0.141 0.000 2.359 509 Y HA 0.560 5.109 4.550 -0.001 0.000 0.330 509 Y C 0.783 176.571 175.900 -0.187 0.000 1.143 509 Y CA -1.173 56.844 58.100 -0.137 0.000 1.318 509 Y CB 0.305 38.691 38.460 -0.123 0.000 1.234 509 Y HN 0.199 nan 8.280 nan 0.000 0.522 510 Y N 1.515 121.793 120.300 -0.036 0.000 2.308 510 Y HA 0.252 4.801 4.550 -0.001 0.000 0.329 510 Y C -0.885 174.921 175.900 -0.157 0.000 1.111 510 Y CA -0.664 57.423 58.100 -0.022 0.000 1.179 510 Y CB 0.755 39.157 38.460 -0.097 0.000 1.201 510 Y HN 0.518 nan 8.280 nan 0.000 0.483 511 W N 4.867 126.216 121.300 0.082 0.000 2.362 511 W HA 0.530 5.190 4.660 0.002 0.000 0.316 511 W C -1.380 175.135 176.519 -0.006 0.000 1.024 511 W CA -0.716 56.647 57.345 0.029 0.000 1.270 511 W CB 0.600 30.059 29.460 -0.001 0.000 1.273 511 W HN 0.225 nan 8.180 nan 0.000 0.424 512 I N 3.139 123.773 120.570 0.105 0.000 2.352 512 I HA 0.114 4.285 4.170 0.001 0.000 0.290 512 I C 1.544 177.699 176.117 0.063 0.000 1.036 512 I CA 0.239 61.525 61.300 -0.023 0.000 1.336 512 I CB 1.116 38.983 38.000 -0.222 0.000 1.407 512 I HN 0.531 nan 8.210 nan 0.000 0.497 513 T N 1.520 116.105 114.554 0.052 0.000 3.060 513 T HA 0.571 4.922 4.350 0.001 0.000 0.249 513 T C 0.807 175.542 174.700 0.057 0.000 1.079 513 T CA 0.147 62.286 62.100 0.065 0.000 1.013 513 T CB -0.131 68.769 68.868 0.055 0.000 0.975 513 T HN 0.995 nan 8.240 nan 0.000 0.518 514 G N 1.447 110.281 108.800 0.056 0.000 2.384 514 G HA2 0.053 4.013 3.960 0.001 0.000 0.668 514 G HA3 0.053 4.013 3.960 0.001 0.000 0.668 514 G C -1.379 173.559 174.900 0.064 0.000 1.280 514 G CA -1.335 43.805 45.100 0.066 0.000 0.992 514 G HN 0.382 nan 8.290 nan 0.000 0.512 515 R N -0.087 120.447 120.500 0.058 0.000 2.570 515 R HA 0.309 4.650 4.340 0.001 0.000 0.277 515 R C 1.635 177.969 176.300 0.057 0.000 1.039 515 R CA 0.454 56.583 56.100 0.047 0.000 1.065 515 R CB 0.769 31.087 30.300 0.030 0.000 0.964 515 R HN 1.338 nan 8.270 nan 0.000 0.428 516 V N -1.931 118.030 119.914 0.079 0.000 3.643 516 V HA 0.051 4.171 4.120 0.001 0.000 0.280 516 V C 0.552 176.708 176.094 0.103 0.000 1.351 516 V CA 0.009 62.376 62.300 0.110 0.000 1.073 516 V CB -0.308 31.625 31.823 0.184 0.000 0.863 516 V HN 0.625 nan 8.190 nan 0.000 0.436 517 D N -0.028 120.414 120.400 0.070 0.000 2.507 517 D HA 0.164 4.805 4.640 0.001 0.000 0.280 517 D C -0.189 176.129 176.300 0.029 0.000 1.219 517 D CA -0.730 53.299 54.000 0.049 0.000 1.085 517 D CB 0.062 40.871 40.800 0.015 0.000 1.134 517 D HN 0.078 nan 8.370 nan 0.000 0.583 518 D N -0.537 119.875 120.400 0.019 0.000 3.085 518 D HA 0.200 4.841 4.640 0.001 0.000 0.243 518 D C -0.581 175.732 176.300 0.022 0.000 1.232 518 D CA -0.034 53.979 54.000 0.022 0.000 0.913 518 D CB 0.051 40.862 40.800 0.019 0.000 1.108 518 D HN 0.036 nan 8.370 nan 0.000 0.468 519 V N 1.422 121.348 119.914 0.020 0.000 2.540 519 V HA 0.338 4.459 4.120 0.001 0.000 0.302 519 V C 0.367 176.474 176.094 0.020 0.000 1.035 519 V CA -0.816 61.496 62.300 0.019 0.000 0.873 519 V CB 2.590 34.419 31.823 0.010 0.000 0.992 519 V HN 0.085 nan 8.190 nan 0.000 0.428 520 L N 3.316 124.552 121.223 0.021 0.000 2.387 520 L HA 0.562 4.902 4.340 0.001 0.000 0.266 520 L C 0.066 176.931 176.870 -0.007 0.000 1.059 520 L CA -0.496 54.354 54.840 0.016 0.000 0.801 520 L CB 1.365 43.440 42.059 0.026 0.000 1.223 520 L HN 0.707 nan 8.230 nan 0.000 0.456 521 N N 0.380 119.070 118.700 -0.017 0.000 2.617 521 N HA 0.409 5.149 4.740 0.001 0.000 0.263 521 N C -1.683 173.788 175.510 -0.065 0.000 1.074 521 N CA -0.346 52.670 53.050 -0.056 0.000 0.841 521 N CB 1.322 39.777 38.487 -0.054 0.000 1.221 521 N HN 0.216 nan 8.380 nan 0.000 0.529 522 V N 2.638 122.506 119.914 -0.077 0.000 2.350 522 V HA 0.318 4.439 4.120 0.001 0.000 0.285 522 V C 0.594 176.608 176.094 -0.133 0.000 1.014 522 V CA -0.619 61.639 62.300 -0.070 0.000 0.831 522 V CB 1.072 32.886 31.823 -0.016 0.000 1.000 522 V HN 0.838 nan 8.190 nan 0.000 0.433 523 S N 3.837 119.434 115.700 -0.172 0.000 3.533 523 S HA -0.223 4.248 4.470 0.001 0.000 0.347 523 S C 1.450 175.742 174.600 -0.514 0.000 1.101 523 S CA 1.521 59.569 58.200 -0.253 0.000 1.009 523 S CB -1.271 61.830 63.200 -0.164 0.000 0.916 523 S HN 2.210 nan 8.310 nan 0.000 0.496 524 G N -0.575 107.962 108.800 -0.439 0.000 2.157 524 G HA2 -0.278 3.683 3.960 0.001 0.000 0.248 524 G HA3 -0.278 3.683 3.960 0.001 0.000 0.248 524 G C -0.361 174.121 174.900 -0.696 0.000 0.979 524 G CA 0.394 45.175 45.100 -0.532 0.000 0.650 524 G HN 0.836 nan 8.290 nan 0.000 0.529 525 H N -0.335 118.519 119.070 -0.359 0.000 2.467 525 H HA 0.565 5.122 4.556 0.001 0.000 0.326 525 H C 0.522 175.666 175.328 -0.306 0.000 1.094 525 H CA -0.714 55.048 56.048 -0.478 0.000 1.253 525 H CB 1.074 30.588 29.762 -0.412 0.000 1.439 525 H HN 0.263 nan 8.280 nan 0.000 0.479 526 R N 4.165 124.539 120.500 -0.210 0.000 2.248 526 R HA 0.343 4.684 4.340 0.001 0.000 0.328 526 R C -1.423 174.871 176.300 -0.010 0.000 1.067 526 R CA -0.253 55.787 56.100 -0.101 0.000 0.924 526 R CB 0.064 30.298 30.300 -0.109 0.000 1.013 526 R HN 0.583 nan 8.270 nan 0.000 0.454 527 L N 3.183 124.420 121.223 0.023 0.000 2.422 527 L HA 0.508 4.849 4.340 0.001 0.000 0.264 527 L C 0.237 177.141 176.870 0.057 0.000 0.984 527 L CA -1.126 53.754 54.840 0.067 0.000 0.819 527 L CB 2.351 44.455 42.059 0.075 0.000 1.330 527 L HN 0.768 nan 8.230 nan 0.000 0.410 528 G N -0.637 108.203 108.800 0.067 0.000 2.377 528 G HA2 0.417 4.377 3.960 0.001 0.000 0.299 528 G HA3 0.417 4.377 3.960 0.001 0.000 0.299 528 G C 0.907 175.840 174.900 0.056 0.000 1.150 528 G CA 0.235 45.367 45.100 0.053 0.000 0.847 528 G HN 0.746 nan 8.290 nan 0.000 0.501 529 T N -0.128 114.456 114.554 0.050 0.000 2.777 529 T HA -0.093 4.257 4.350 0.001 0.000 0.266 529 T C 2.584 177.319 174.700 0.058 0.000 1.040 529 T CA 1.618 63.752 62.100 0.056 0.000 1.141 529 T CB -0.290 68.611 68.868 0.054 0.000 0.868 529 T HN 0.654 nan 8.240 nan 0.000 0.444 530 A N 2.886 125.736 122.820 0.049 0.000 1.908 530 A HA -0.192 4.129 4.320 0.001 0.000 0.218 530 A C 2.377 179.995 177.584 0.057 0.000 1.181 530 A CA 1.949 54.016 52.037 0.049 0.000 0.627 530 A CB -0.810 18.213 19.000 0.037 0.000 0.818 530 A HN 0.876 nan 8.150 nan 0.000 0.445 531 E N -0.149 120.087 120.200 0.060 0.000 2.208 531 E HA -0.107 4.244 4.350 0.001 0.000 0.193 531 E C 1.799 178.444 176.600 0.075 0.000 0.988 531 E CA 1.138 57.577 56.400 0.064 0.000 0.828 531 E CB -0.410 29.329 29.700 0.065 0.000 0.763 531 E HN 0.663 nan 8.360 nan 0.000 0.478 532 I N 1.324 121.940 120.570 0.077 0.000 2.286 532 I HA -0.183 3.987 4.170 0.001 0.000 0.245 532 I C 2.272 178.444 176.117 0.093 0.000 1.104 532 I CA 1.202 62.552 61.300 0.083 0.000 1.397 532 I CB -0.310 37.734 38.000 0.073 0.000 1.072 532 I HN 0.107 nan 8.210 nan 0.000 0.417 533 E N 0.942 121.192 120.200 0.084 0.000 2.058 533 E HA -0.177 4.173 4.350 0.001 0.000 0.194 533 E C 2.347 179.008 176.600 0.101 0.000 0.997 533 E CA 1.746 58.198 56.400 0.087 0.000 0.801 533 E CB -0.091 29.652 29.700 0.072 0.000 0.746 533 E HN 0.350 nan 8.360 nan 0.000 0.450 534 S N 0.913 116.669 115.700 0.094 0.000 2.359 534 S HA -0.234 4.237 4.470 0.001 0.000 0.224 534 S C 2.166 176.857 174.600 0.153 0.000 1.035 534 S CA 1.112 59.375 58.200 0.104 0.000 1.018 534 S CB -0.344 62.904 63.200 0.080 0.000 0.876 534 S HN 0.411 nan 8.310 nan 0.000 0.448 535 A N 1.439 124.352 122.820 0.155 0.000 1.883 535 A HA -0.056 4.265 4.320 0.001 0.000 0.217 535 A C 2.173 179.999 177.584 0.403 0.000 1.186 535 A CA 1.326 53.495 52.037 0.219 0.000 0.624 535 A CB -0.819 18.261 19.000 0.132 0.000 0.822 535 A HN 0.443 nan 8.150 nan 0.000 0.444 536 L N -0.616 120.774 121.223 0.278 0.000 2.017 536 L HA -0.169 4.171 4.340 0.001 0.000 0.208 536 L C 2.449 179.437 176.870 0.197 0.000 1.073 536 L CA 1.209 56.193 54.840 0.240 0.000 0.745 536 L CB -0.420 41.714 42.059 0.125 0.000 0.894 536 L HN 0.256 nan 8.230 nan 0.000 0.432 537 V N -0.286 119.731 119.914 0.172 0.000 2.809 537 V HA -0.153 3.968 4.120 0.001 0.000 0.256 537 V C 2.563 178.745 176.094 0.146 0.000 1.080 537 V CA 1.282 63.659 62.300 0.128 0.000 1.102 537 V CB -0.658 31.225 31.823 0.100 0.000 0.705 537 V HN 0.456 nan 8.190 nan 0.000 0.475 538 A N -1.272 121.698 122.820 0.250 0.000 2.125 538 A HA -0.179 4.142 4.320 0.001 0.000 0.219 538 A C 1.383 179.095 177.584 0.213 0.000 1.156 538 A CA 0.719 52.946 52.037 0.316 0.000 0.671 538 A CB -0.727 18.553 19.000 0.466 0.000 0.794 538 A HN 0.627 nan 8.150 nan 0.000 0.459 539 H N 0.814 119.769 119.070 -0.191 0.000 2.848 539 H HA 0.136 4.693 4.556 0.001 0.000 0.317 539 H C -1.766 173.301 175.328 -0.434 0.000 1.046 539 H CA -1.419 54.099 56.048 -0.883 0.000 1.470 539 H CB 1.295 30.433 29.762 -1.041 0.000 1.483 539 H HN 0.107 nan 8.280 nan 0.000 0.548 540 P HA -0.039 nan 4.420 nan 0.000 0.234 540 P C 0.518 177.755 177.300 -0.105 0.000 1.167 540 P CA 0.958 63.884 63.100 -0.289 0.000 0.763 540 P CB 0.309 31.819 31.700 -0.316 0.000 0.835 541 K N -0.905 119.550 120.400 0.091 0.000 2.361 541 K HA 0.216 4.537 4.320 0.001 0.000 0.194 541 K C 0.853 177.494 176.600 0.068 0.000 1.032 541 K CA 0.007 56.352 56.287 0.097 0.000 1.048 541 K CB 0.313 32.881 32.500 0.112 0.000 0.842 541 K HN 0.184 nan 8.250 nan 0.000 0.526 542 I N 0.622 121.250 120.570 0.097 0.000 2.353 542 I HA 0.098 4.269 4.170 0.001 0.000 0.293 542 I C 0.841 176.992 176.117 0.056 0.000 0.992 542 I CA -0.355 60.978 61.300 0.055 0.000 1.268 542 I CB 1.797 39.816 38.000 0.031 0.000 1.387 542 I HN 0.032 nan 8.210 nan 0.000 0.478 543 A N 5.488 128.346 122.820 0.063 0.000 1.887 543 A HA 0.242 4.563 4.320 0.001 0.000 0.210 543 A C 0.607 178.228 177.584 0.062 0.000 1.221 543 A CA 0.672 52.745 52.037 0.059 0.000 0.635 543 A CB 0.222 19.260 19.000 0.062 0.000 0.881 543 A HN 0.738 nan 8.150 nan 0.000 0.456 544 E N -1.875 118.369 120.200 0.073 0.000 2.383 544 E HA 0.655 5.005 4.350 0.001 0.000 0.275 544 E C -1.261 175.391 176.600 0.086 0.000 0.918 544 E CA -0.625 55.818 56.400 0.071 0.000 0.764 544 E CB 2.271 32.007 29.700 0.061 0.000 1.252 544 E HN 0.428 nan 8.360 nan 0.000 0.449 545 A N 0.904 123.773 122.820 0.081 0.000 2.515 545 A HA 0.844 5.164 4.320 0.001 0.000 0.298 545 A C -1.603 176.035 177.584 0.090 0.000 1.059 545 A CA -0.498 51.595 52.037 0.093 0.000 0.698 545 A CB 1.864 20.915 19.000 0.084 0.000 1.289 545 A HN 0.547 nan 8.150 nan 0.000 0.404 546 A N 1.277 124.173 122.820 0.128 0.000 2.357 546 A HA 0.659 4.979 4.320 0.001 0.000 0.295 546 A C -1.096 176.614 177.584 0.210 0.000 1.121 546 A CA -0.393 51.715 52.037 0.119 0.000 0.742 546 A CB 1.086 20.107 19.000 0.035 0.000 1.181 546 A HN 1.279 nan 8.150 nan 0.000 0.454 547 V N 3.454 123.458 119.914 0.150 0.000 2.459 547 V HA 0.662 4.782 4.120 0.001 0.000 0.295 547 V C 0.184 176.369 176.094 0.152 0.000 1.029 547 V CA -0.362 62.033 62.300 0.158 0.000 0.874 547 V CB 1.329 33.212 31.823 0.100 0.000 0.985 547 V HN 1.108 nan 8.190 nan 0.000 0.438 548 V N 1.888 121.917 119.914 0.192 0.000 3.074 548 V HA 1.033 5.154 4.120 0.001 0.000 0.314 548 V C 0.242 176.410 176.094 0.122 0.000 1.117 548 V CA -0.599 61.781 62.300 0.133 0.000 1.014 548 V CB 1.859 33.754 31.823 0.120 0.000 1.057 548 V HN 0.889 nan 8.190 nan 0.000 0.438 549 G N 1.399 110.246 108.800 0.078 0.000 2.389 549 G HA2 0.728 4.688 3.960 0.001 0.000 0.317 549 G HA3 0.728 4.688 3.960 0.001 0.000 0.317 549 G C -0.636 174.297 174.900 0.056 0.000 1.137 549 G CA -0.622 44.521 45.100 0.072 0.000 0.870 549 G HN 1.416 nan 8.290 nan 0.000 0.496 550 I N -0.659 119.957 120.570 0.076 0.000 2.785 550 I HA 0.625 4.795 4.170 0.001 0.000 0.302 550 I C -2.789 173.376 176.117 0.080 0.000 1.069 550 I CA -3.163 58.172 61.300 0.058 0.000 1.045 550 I CB 2.599 40.640 38.000 0.067 0.000 1.236 550 I HN 0.176 nan 8.210 nan 0.000 0.429 551 P HA 0.158 nan 4.420 nan 0.000 0.269 551 P C -1.444 175.919 177.300 0.104 0.000 1.209 551 P CA 0.445 63.584 63.100 0.064 0.000 0.776 551 P CB 0.183 31.900 31.700 0.028 0.000 0.876 552 H N 0.746 119.821 119.070 0.008 0.000 2.877 552 H HA 0.522 5.079 4.556 0.001 0.000 0.347 552 H C 0.695 176.019 175.328 -0.006 0.000 1.042 552 H CA -0.516 55.535 56.048 0.006 0.000 1.276 552 H CB 1.488 31.255 29.762 0.009 0.000 1.681 552 H HN 0.315 nan 8.280 nan 0.000 0.521 553 A N 4.952 127.651 122.820 -0.201 0.000 1.972 553 A HA -0.106 4.214 4.320 0.001 0.000 0.219 553 A C 1.469 179.076 177.584 0.038 0.000 1.169 553 A CA 1.473 53.464 52.037 -0.077 0.000 0.635 553 A CB -0.243 18.677 19.000 -0.135 0.000 0.810 553 A HN 0.639 nan 8.150 nan 0.000 0.446 554 I N -0.904 119.798 120.570 0.220 0.000 2.681 554 I HA -0.015 4.156 4.170 0.001 0.000 0.247 554 I C 1.865 178.070 176.117 0.146 0.000 1.091 554 I CA 1.129 62.548 61.300 0.197 0.000 1.442 554 I CB -1.130 36.993 38.000 0.205 0.000 1.219 554 I HN 0.272 nan 8.210 nan 0.000 0.451 555 K N 0.686 121.192 120.400 0.177 0.000 2.432 555 K HA 0.107 4.428 4.320 0.001 0.000 0.196 555 K C 1.511 178.097 176.600 -0.023 0.000 1.038 555 K CA 0.739 56.979 56.287 -0.079 0.000 0.986 555 K CB 0.229 32.524 32.500 -0.343 0.000 0.782 555 K HN 0.495 nan 8.250 nan 0.000 0.485 556 G N 1.252 110.093 108.800 0.068 0.000 3.444 556 G HA2 -0.325 3.635 3.960 0.001 0.000 0.222 556 G HA3 -0.325 3.635 3.960 0.001 0.000 0.222 556 G C 0.104 175.043 174.900 0.065 0.000 1.358 556 G CA 0.086 45.213 45.100 0.044 0.000 0.880 556 G HN 0.377 nan 8.290 nan 0.000 0.555 557 Q N 0.350 120.174 119.800 0.039 0.000 2.372 557 Q HA 0.686 5.027 4.340 0.001 0.000 0.273 557 Q C -0.307 175.709 176.000 0.026 0.000 1.078 557 Q CA -0.144 55.691 55.803 0.054 0.000 0.806 557 Q CB 2.285 31.041 28.738 0.030 0.000 1.332 557 Q HN 0.958 nan 8.270 nan 0.000 0.435 558 A N 2.367 125.230 122.820 0.073 0.000 2.299 558 A HA 0.729 5.049 4.320 0.001 0.000 0.332 558 A C -0.620 177.004 177.584 0.066 0.000 1.131 558 A CA -0.646 51.410 52.037 0.030 0.000 0.844 558 A CB 0.701 19.778 19.000 0.129 0.000 1.251 558 A HN 0.717 nan 8.150 nan 0.000 0.486 559 I N 1.041 121.636 120.570 0.042 0.000 2.342 559 I HA 0.225 4.396 4.170 0.001 0.000 0.291 559 I C -1.088 175.074 176.117 0.074 0.000 1.010 559 I CA -0.083 61.251 61.300 0.057 0.000 1.308 559 I CB 0.795 38.808 38.000 0.022 0.000 1.400 559 I HN 0.640 nan 8.210 nan 0.000 0.488 560 Y N 6.396 126.677 120.300 -0.032 0.000 2.326 560 Y HA 0.680 5.231 4.550 0.001 0.000 0.331 560 Y C -0.404 175.433 175.900 -0.104 0.000 0.962 560 Y CA -0.932 57.117 58.100 -0.086 0.000 1.167 560 Y CB 1.490 39.906 38.460 -0.073 0.000 1.148 560 Y HN 0.582 nan 8.280 nan 0.000 0.463 561 A N 6.253 128.949 122.820 -0.208 0.000 2.273 561 A HA 0.550 4.870 4.320 0.001 0.000 0.315 561 A C -1.904 175.554 177.584 -0.210 0.000 1.256 561 A CA -0.489 51.482 52.037 -0.111 0.000 0.851 561 A CB -0.015 18.901 19.000 -0.140 0.000 1.172 561 A HN 0.727 nan 8.150 nan 0.000 0.508 562 Y N 1.555 121.853 120.300 -0.004 0.000 2.336 562 Y HA 0.441 4.991 4.550 0.001 0.000 0.335 562 Y C 0.242 176.133 175.900 -0.015 0.000 1.046 562 Y CA -0.022 58.056 58.100 -0.037 0.000 1.198 562 Y CB 1.381 39.799 38.460 -0.070 0.000 1.182 562 Y HN 0.360 nan 8.280 nan 0.000 0.502 563 V N 3.309 123.313 119.914 0.150 0.000 2.525 563 V HA 0.330 4.451 4.120 0.001 0.000 0.299 563 V C -0.398 175.852 176.094 0.260 0.000 1.034 563 V CA -0.899 61.501 62.300 0.166 0.000 0.863 563 V CB 2.062 33.952 31.823 0.110 0.000 0.999 563 V HN 0.763 nan 8.190 nan 0.000 0.423 564 T N 6.505 121.174 114.554 0.192 0.000 2.749 564 T HA 0.586 4.936 4.350 0.001 0.000 0.287 564 T C -0.031 174.751 174.700 0.137 0.000 0.970 564 T CA -0.237 61.964 62.100 0.169 0.000 0.980 564 T CB 0.639 69.580 68.868 0.122 0.000 0.924 564 T HN 0.336 nan 8.240 nan 0.000 0.456 565 L N 3.275 124.570 121.223 0.120 0.000 2.439 565 L HA 0.329 4.670 4.340 0.001 0.000 0.261 565 L C 1.051 177.951 176.870 0.051 0.000 1.153 565 L CA -1.067 53.805 54.840 0.054 0.000 0.808 565 L CB 0.383 42.425 42.059 -0.028 0.000 1.126 565 L HN 0.547 nan 8.230 nan 0.000 0.460 566 N N -0.056 118.666 118.700 0.037 0.000 2.374 566 N HA -0.073 4.667 4.740 0.001 0.000 0.241 566 N C -0.215 175.332 175.510 0.061 0.000 1.262 566 N CA 0.052 53.133 53.050 0.052 0.000 0.880 566 N CB 0.091 38.598 38.487 0.034 0.000 1.105 566 N HN 0.445 nan 8.380 nan 0.000 0.438 567 H N 0.097 119.167 119.070 -0.000 0.000 3.157 567 H HA 0.188 4.745 4.556 0.001 0.000 0.299 567 H C 1.325 176.646 175.328 -0.013 0.000 0.961 567 H CA 1.705 57.751 56.048 -0.004 0.000 1.428 567 H CB -0.252 29.510 29.762 -0.000 0.000 1.459 567 H HN 0.786 nan 8.280 nan 0.000 0.566 568 G N 3.843 112.390 108.800 -0.423 0.000 2.195 568 G HA2 -0.191 3.770 3.960 0.001 0.000 0.224 568 G HA3 -0.191 3.770 3.960 0.001 0.000 0.224 568 G C -0.148 174.645 174.900 -0.178 0.000 0.990 568 G CA -0.003 44.905 45.100 -0.321 0.000 0.639 568 G HN 0.604 nan 8.290 nan 0.000 0.514 569 E N 0.992 121.108 120.200 -0.141 0.000 2.231 569 E HA 0.581 4.932 4.350 0.001 0.000 0.277 569 E C -0.072 176.434 176.600 -0.157 0.000 0.999 569 E CA -0.252 56.070 56.400 -0.129 0.000 0.827 569 E CB 1.535 31.171 29.700 -0.107 0.000 1.101 569 E HN 0.604 nan 8.360 nan 0.000 0.393 570 E N 2.177 122.268 120.200 -0.181 0.000 2.212 570 E HA 0.401 4.752 4.350 0.001 0.000 0.268 570 E C -2.282 174.115 176.600 -0.337 0.000 0.902 570 E CA -1.952 54.318 56.400 -0.217 0.000 0.779 570 E CB 1.629 31.234 29.700 -0.158 0.000 1.172 570 E HN 0.177 nan 8.360 nan 0.000 0.409 571 P HA 0.224 nan 4.420 nan 0.000 0.274 571 P C -1.080 175.964 177.300 -0.426 0.000 1.246 571 P CA -0.508 62.098 63.100 -0.823 0.000 0.795 571 P CB 0.863 31.701 31.700 -1.437 0.000 1.006 572 S N -0.469 115.041 115.700 -0.317 0.000 2.625 572 S HA 0.446 4.916 4.470 0.001 0.000 0.271 572 S C -2.402 172.233 174.600 0.057 0.000 1.161 572 S CA -1.014 57.128 58.200 -0.096 0.000 0.820 572 S CB 1.093 64.248 63.200 -0.076 0.000 1.137 572 S HN 0.180 nan 8.310 nan 0.000 0.470 573 P HA 0.044 nan 4.420 nan 0.000 0.221 573 P C 1.192 178.580 177.300 0.148 0.000 1.150 573 P CA 0.719 63.888 63.100 0.114 0.000 0.800 573 P CB 0.227 31.942 31.700 0.026 0.000 0.787 574 E N -0.384 119.868 120.200 0.086 0.000 2.085 574 E HA -0.195 4.155 4.350 0.001 0.000 0.194 574 E C 1.762 178.431 176.600 0.115 0.000 0.994 574 E CA 0.836 57.285 56.400 0.083 0.000 0.801 574 E CB -0.439 29.285 29.700 0.041 0.000 0.743 574 E HN 0.044 nan 8.360 nan 0.000 0.453 575 L N 0.045 121.324 121.223 0.094 0.000 2.156 575 L HA -0.105 4.236 4.340 0.001 0.000 0.208 575 L C 1.963 178.984 176.870 0.253 0.000 1.095 575 L CA 1.468 56.354 54.840 0.076 0.000 0.770 575 L CB -0.658 41.326 42.059 -0.124 0.000 0.914 575 L HN 0.216 nan 8.230 nan 0.000 0.439 576 Y N 0.231 120.701 120.300 0.282 0.000 2.030 576 Y HA -0.358 4.192 4.550 0.001 0.000 0.274 576 Y C 2.496 178.488 175.900 0.153 0.000 1.153 576 Y CA 2.557 60.852 58.100 0.326 0.000 1.115 576 Y CB -0.506 38.109 38.460 0.258 0.000 0.969 576 Y HN 0.265 nan 8.280 nan 0.000 0.488 577 A N -0.291 122.735 122.820 0.344 0.000 1.933 577 A HA -0.234 4.086 4.320 0.001 0.000 0.218 577 A C 2.202 179.878 177.584 0.154 0.000 1.175 577 A CA 1.802 53.969 52.037 0.216 0.000 0.628 577 A CB -0.887 18.222 19.000 0.181 0.000 0.814 577 A HN 0.665 nan 8.150 nan 0.000 0.444 578 E N -0.144 120.150 120.200 0.156 0.000 2.058 578 E HA -0.157 4.194 4.350 0.001 0.000 0.194 578 E C 1.920 178.630 176.600 0.183 0.000 0.997 578 E CA 1.685 58.185 56.400 0.165 0.000 0.801 578 E CB -0.129 29.663 29.700 0.153 0.000 0.746 578 E HN 0.335 nan 8.360 nan 0.000 0.450 579 V N 1.441 121.405 119.914 0.082 0.000 2.358 579 V HA -0.237 3.884 4.120 0.001 0.000 0.246 579 V C 2.502 178.656 176.094 0.101 0.000 1.047 579 V CA 1.799 64.111 62.300 0.019 0.000 1.035 579 V CB -0.536 31.228 31.823 -0.097 0.000 0.658 579 V HN 0.268 nan 8.190 nan 0.000 0.452 580 R N 0.361 120.871 120.500 0.017 0.000 2.094 580 R HA -0.187 4.154 4.340 0.001 0.000 0.239 580 R C 2.162 178.522 176.300 0.099 0.000 1.137 580 R CA 1.782 57.894 56.100 0.021 0.000 0.943 580 R CB -0.745 29.552 30.300 -0.004 0.000 0.850 580 R HN 0.508 nan 8.270 nan 0.000 0.433 581 N N 0.288 119.069 118.700 0.134 0.000 2.223 581 N HA -0.209 4.531 4.740 0.001 0.000 0.185 581 N C 1.350 176.971 175.510 0.183 0.000 1.016 581 N CA 0.879 54.013 53.050 0.140 0.000 0.863 581 N CB -0.361 38.212 38.487 0.144 0.000 0.983 581 N HN 0.437 nan 8.380 nan 0.000 0.429 582 W N 1.757 123.102 121.300 0.074 0.000 2.358 582 W HA -0.117 4.543 4.660 0.001 0.000 0.303 582 W C 1.393 177.957 176.519 0.075 0.000 1.208 582 W CA 0.927 58.335 57.345 0.104 0.000 1.274 582 W CB -0.165 29.417 29.460 0.202 0.000 1.138 582 W HN -0.168 nan 8.180 nan 0.000 0.515 583 V N 1.850 121.880 119.914 0.192 0.000 2.427 583 V HA -0.250 3.871 4.120 0.001 0.000 0.248 583 V C 2.739 178.833 176.094 -0.000 0.000 1.051 583 V CA 2.115 64.458 62.300 0.072 0.000 1.048 583 V CB -1.631 30.260 31.823 0.113 0.000 0.666 583 V HN 0.246 nan 8.190 nan 0.000 0.456 584 A N -0.449 122.384 122.820 0.022 0.000 2.019 584 A HA -0.240 4.080 4.320 0.001 0.000 0.219 584 A C 2.350 179.919 177.584 -0.024 0.000 1.164 584 A CA 2.058 54.105 52.037 0.016 0.000 0.644 584 A CB -0.394 18.624 19.000 0.031 0.000 0.805 584 A HN 0.525 nan 8.150 nan 0.000 0.449 585 K N -0.723 119.622 120.400 -0.093 0.000 2.137 585 K HA -0.068 4.252 4.320 0.001 0.000 0.202 585 K C 1.767 178.231 176.600 -0.227 0.000 1.052 585 K CA 0.951 57.140 56.287 -0.165 0.000 0.961 585 K CB -0.034 32.325 32.500 -0.235 0.000 0.741 585 K HN 0.366 nan 8.250 nan 0.000 0.452 586 E N 0.346 120.362 120.200 -0.306 0.000 2.072 586 E HA -0.113 4.237 4.350 0.001 0.000 0.191 586 E C 1.932 178.467 176.600 -0.108 0.000 0.985 586 E CA 1.190 57.424 56.400 -0.276 0.000 0.801 586 E CB 0.202 29.721 29.700 -0.303 0.000 0.750 586 E HN 0.393 nan 8.360 nan 0.000 0.452 587 I N -1.611 118.949 120.570 -0.017 0.000 3.534 587 I HA 0.258 4.428 4.170 0.001 0.000 0.251 587 I C 0.967 177.225 176.117 0.236 0.000 1.136 587 I CA 0.425 61.792 61.300 0.112 0.000 1.475 587 I CB 0.978 39.068 38.000 0.149 0.000 1.526 587 I HN 0.029 nan 8.210 nan 0.000 0.454 588 G N 0.073 108.965 108.800 0.154 0.000 2.358 588 G HA2 0.146 4.106 3.960 0.001 0.000 0.301 588 G HA3 0.146 4.106 3.960 0.001 0.000 0.301 588 G C -2.729 172.214 174.900 0.071 0.000 1.539 588 G CA -0.637 44.539 45.100 0.126 0.000 0.893 588 G HN -0.248 nan 8.290 nan 0.000 0.636 589 P HA -0.109 nan 4.420 nan 0.000 0.217 589 P C 2.322 179.645 177.300 0.039 0.000 1.148 589 P CA 1.565 64.685 63.100 0.033 0.000 0.834 589 P CB 0.032 31.745 31.700 0.021 0.000 0.783 590 L N -3.369 117.875 121.223 0.034 0.000 2.265 590 L HA 0.022 4.362 4.340 0.001 0.000 0.215 590 L C 1.797 178.693 176.870 0.044 0.000 1.117 590 L CA 1.967 56.818 54.840 0.019 0.000 0.782 590 L CB -1.042 40.938 42.059 -0.132 0.000 0.914 590 L HN -0.143 nan 8.230 nan 0.000 0.441 591 A N -0.417 122.440 122.820 0.062 0.000 2.387 591 A HA 0.251 4.572 4.320 0.001 0.000 0.234 591 A C 0.802 178.414 177.584 0.046 0.000 1.253 591 A CA -0.149 51.929 52.037 0.068 0.000 0.894 591 A CB -0.440 18.622 19.000 0.104 0.000 0.963 591 A HN 0.387 nan 8.150 nan 0.000 0.508 592 T N 3.836 118.411 114.554 0.034 0.000 2.829 592 T HA 0.281 4.632 4.350 0.001 0.000 0.293 592 T C -2.537 172.158 174.700 -0.008 0.000 0.970 592 T CA -0.274 61.837 62.100 0.018 0.000 1.168 592 T CB 0.344 69.225 68.868 0.021 0.000 0.911 592 T HN 0.172 nan 8.240 nan 0.000 0.535 593 P HA 0.116 nan 4.420 nan 0.000 0.264 593 P C -0.020 177.226 177.300 -0.089 0.000 1.193 593 P CA -0.015 63.036 63.100 -0.080 0.000 0.763 593 P CB 0.519 32.126 31.700 -0.155 0.000 0.810 594 D N 0.810 121.170 120.400 -0.066 0.000 2.194 594 D HA -0.008 4.632 4.640 0.001 0.000 0.204 594 D C 0.106 176.368 176.300 -0.063 0.000 0.964 594 D CA 1.132 55.113 54.000 -0.032 0.000 0.846 594 D CB 0.191 40.998 40.800 0.010 0.000 0.962 594 D HN 0.096 nan 8.370 nan 0.000 0.490 595 V N 1.179 120.969 119.914 -0.206 0.000 2.638 595 V HA 0.349 4.470 4.120 0.001 0.000 0.306 595 V C -0.766 174.962 176.094 -0.610 0.000 1.052 595 V CA -0.810 61.265 62.300 -0.374 0.000 0.885 595 V CB 2.313 33.757 31.823 -0.632 0.000 0.999 595 V HN -0.010 nan 8.190 nan 0.000 0.424 596 L N 4.083 124.891 121.223 -0.691 0.000 2.298 596 L HA 0.531 4.872 4.340 0.001 0.000 0.284 596 L C -0.370 175.953 176.870 -0.911 0.000 1.013 596 L CA -0.440 53.817 54.840 -0.971 0.000 0.824 596 L CB 1.130 42.276 42.059 -1.522 0.000 1.221 596 L HN 0.754 nan 8.230 nan 0.000 0.418 597 H N 3.288 121.834 119.070 -0.873 0.000 2.661 597 H HA 0.252 4.808 4.556 0.001 0.000 0.290 597 H C -1.156 173.979 175.328 -0.322 0.000 1.082 597 H CA -0.824 54.874 56.048 -0.583 0.000 1.234 597 H CB 0.512 29.920 29.762 -0.590 0.000 1.387 597 H HN 0.486 nan 8.280 nan 0.000 0.476 598 W N 4.617 126.006 121.300 0.147 0.000 2.303 598 W HA 0.272 4.932 4.660 0.001 0.000 0.318 598 W C 0.435 177.117 176.519 0.272 0.000 1.362 598 W CA -0.335 57.100 57.345 0.151 0.000 1.234 598 W CB 0.954 30.454 29.460 0.068 0.000 1.248 598 W HN 0.421 nan 8.180 nan 0.000 0.546 599 T N 1.754 116.588 114.554 0.467 0.000 2.853 599 T HA 0.168 4.518 4.350 0.001 0.000 0.311 599 T C -0.450 174.391 174.700 0.236 0.000 1.307 599 T CA -0.638 61.676 62.100 0.358 0.000 1.019 599 T CB 1.515 70.612 68.868 0.381 0.000 1.264 599 T HN 0.380 nan 8.240 nan 0.000 0.497 600 D N 1.251 121.758 120.400 0.178 0.000 2.479 600 D HA 0.256 4.897 4.640 0.001 0.000 0.218 600 D C 0.409 176.766 176.300 0.095 0.000 1.177 600 D CA 0.055 54.129 54.000 0.124 0.000 0.830 600 D CB 0.783 41.648 40.800 0.108 0.000 1.014 600 D HN 0.342 nan 8.370 nan 0.000 0.503 601 S N 0.415 116.177 115.700 0.103 0.000 2.562 601 S HA 0.248 4.719 4.470 0.001 0.000 0.246 601 S C 0.769 175.376 174.600 0.012 0.000 1.056 601 S CA -0.379 57.860 58.200 0.065 0.000 1.042 601 S CB 0.478 63.732 63.200 0.089 0.000 0.822 601 S HN 0.187 nan 8.310 nan 0.000 0.465 602 L N 3.685 124.907 121.223 -0.003 0.000 2.540 602 L HA 0.133 4.473 4.340 0.001 0.000 0.276 602 L C -2.137 174.691 176.870 -0.070 0.000 1.212 602 L CA -1.190 53.606 54.840 -0.073 0.000 0.893 602 L CB 0.059 42.090 42.059 -0.045 0.000 1.138 602 L HN 0.039 nan 8.230 nan 0.000 0.491 603 P HA 0.207 nan 4.420 nan 0.000 0.274 603 P C -1.030 176.233 177.300 -0.061 0.000 1.470 603 P CA -0.309 62.744 63.100 -0.078 0.000 1.001 603 P CB 0.399 32.039 31.700 -0.099 0.000 1.332 604 K N 1.465 121.842 120.400 -0.039 0.000 2.138 604 K HA 0.447 4.767 4.320 0.001 0.000 0.263 604 K C 0.707 177.293 176.600 -0.023 0.000 0.965 604 K CA -0.546 55.724 56.287 -0.029 0.000 0.868 604 K CB 1.268 33.757 32.500 -0.018 0.000 1.083 604 K HN 0.202 nan 8.250 nan 0.000 0.443 605 T N 1.107 115.648 114.554 -0.022 0.000 2.788 605 T HA 0.158 4.508 4.350 0.001 0.000 0.280 605 T C 1.789 176.481 174.700 -0.013 0.000 0.984 605 T CA 0.185 62.274 62.100 -0.018 0.000 0.972 605 T CB 1.007 69.864 68.868 -0.018 0.000 1.039 605 T HN 0.753 nan 8.240 nan 0.000 0.530 606 R N 0.937 121.431 120.500 -0.011 0.000 2.096 606 R HA -0.108 4.233 4.340 0.001 0.000 0.240 606 R C 2.872 179.167 176.300 -0.008 0.000 1.139 606 R CA 2.847 58.942 56.100 -0.008 0.000 0.952 606 R CB -1.890 28.405 30.300 -0.007 0.000 0.854 606 R HN 0.740 nan 8.270 nan 0.000 0.436 607 S N -1.581 114.114 115.700 -0.009 0.000 2.399 607 S HA 0.183 4.653 4.470 0.001 0.000 0.231 607 S C 1.811 176.406 174.600 -0.008 0.000 1.022 607 S CA 2.181 60.376 58.200 -0.008 0.000 0.983 607 S CB -0.220 62.974 63.200 -0.009 0.000 0.803 607 S HN 1.875 nan 8.310 nan 0.000 0.480 608 G N -1.085 107.710 108.800 -0.009 0.000 2.205 608 G HA2 0.053 4.013 3.960 0.001 0.000 0.180 608 G HA3 0.053 4.013 3.960 0.001 0.000 0.180 608 G C 0.143 175.036 174.900 -0.011 0.000 1.004 608 G CA 0.403 45.497 45.100 -0.009 0.000 0.670 608 G HN 1.003 nan 8.290 nan 0.000 0.496 609 K N 1.366 121.758 120.400 -0.014 0.000 2.436 609 K HA 0.603 4.924 4.320 0.001 0.000 0.275 609 K C 0.611 177.196 176.600 -0.025 0.000 0.999 609 K CA 0.203 56.479 56.287 -0.017 0.000 0.980 609 K CB 0.243 32.732 32.500 -0.018 0.000 0.919 609 K HN 0.500 nan 8.250 nan 0.000 0.484 610 I N 3.219 123.772 120.570 -0.028 0.000 2.471 610 I HA 0.089 4.260 4.170 0.001 0.000 0.286 610 I C 0.790 176.875 176.117 -0.053 0.000 1.079 610 I CA -0.404 60.869 61.300 -0.045 0.000 1.398 610 I CB 1.027 38.999 38.000 -0.045 0.000 1.403 610 I HN 0.685 nan 8.210 nan 0.000 0.530 611 M N 7.242 126.801 119.600 -0.068 0.000 3.042 611 M HA 0.138 4.618 4.480 0.001 0.000 0.283 611 M C 1.273 177.520 176.300 -0.088 0.000 1.473 611 M CA 0.192 55.451 55.300 -0.068 0.000 1.583 611 M CB -0.506 32.054 32.600 -0.067 0.000 1.221 611 M HN 0.492 nan 8.290 nan 0.000 0.518 612 R N 0.748 121.207 120.500 -0.069 0.000 2.148 612 R HA -0.097 4.243 4.340 0.001 0.000 0.223 612 R C 2.584 178.847 176.300 -0.062 0.000 1.088 612 R CA 1.355 57.413 56.100 -0.070 0.000 0.985 612 R CB -0.327 29.951 30.300 -0.037 0.000 0.880 612 R HN 0.702 nan 8.270 nan 0.000 0.451 613 R N 1.398 121.869 120.500 -0.048 0.000 2.096 613 R HA -0.069 4.271 4.340 0.001 0.000 0.235 613 R C 2.006 178.276 176.300 -0.050 0.000 1.127 613 R CA 1.641 57.719 56.100 -0.038 0.000 0.968 613 R CB -1.316 28.968 30.300 -0.026 0.000 0.861 613 R HN 0.205 nan 8.270 nan 0.000 0.440 614 I N 0.587 121.117 120.570 -0.067 0.000 2.252 614 I HA -0.214 3.956 4.170 0.001 0.000 0.245 614 I C 2.488 178.543 176.117 -0.104 0.000 1.102 614 I CA 1.264 62.520 61.300 -0.074 0.000 1.385 614 I CB -0.257 37.696 38.000 -0.078 0.000 1.064 614 I HN 0.201 nan 8.210 nan 0.000 0.414 615 L N 0.150 121.269 121.223 -0.173 0.000 2.042 615 L HA -0.231 4.110 4.340 0.001 0.000 0.210 615 L C 2.785 179.620 176.870 -0.059 0.000 1.076 615 L CA 1.367 56.053 54.840 -0.258 0.000 0.749 615 L CB -0.580 41.204 42.059 -0.457 0.000 0.893 615 L HN 0.207 nan 8.230 nan 0.000 0.432 616 R N 0.428 120.897 120.500 -0.051 0.000 2.080 616 R HA -0.180 4.161 4.340 0.001 0.000 0.236 616 R C 2.408 178.676 176.300 -0.055 0.000 1.137 616 R CA 1.596 57.674 56.100 -0.037 0.000 0.943 616 R CB -0.016 30.271 30.300 -0.022 0.000 0.846 616 R HN 0.264 nan 8.270 nan 0.000 0.431 617 K N 0.131 120.504 120.400 -0.044 0.000 2.032 617 K HA -0.158 4.162 4.320 0.001 0.000 0.209 617 K C 2.171 178.748 176.600 -0.040 0.000 1.048 617 K CA 1.722 57.987 56.287 -0.037 0.000 0.927 617 K CB -0.253 32.231 32.500 -0.027 0.000 0.712 617 K HN 0.241 nan 8.250 nan 0.000 0.441 618 I N 1.194 121.747 120.570 -0.028 0.000 2.127 618 I HA -0.302 3.869 4.170 0.001 0.000 0.241 618 I C 2.561 178.640 176.117 -0.064 0.000 1.075 618 I CA 1.251 62.552 61.300 0.002 0.000 1.334 618 I CB -0.485 37.556 38.000 0.067 0.000 1.040 618 I HN 0.170 nan 8.210 nan 0.000 0.405 619 A N 0.629 123.324 122.820 -0.208 0.000 1.986 619 A HA -0.167 4.154 4.320 0.001 0.000 0.220 619 A C 2.311 179.709 177.584 -0.310 0.000 1.171 619 A CA 1.891 53.540 52.037 -0.646 0.000 0.640 619 A CB -0.701 17.663 19.000 -1.060 0.000 0.811 619 A HN 0.479 nan 8.150 nan 0.000 0.451 620 A N -1.989 120.740 122.820 -0.153 0.000 2.238 620 A HA 0.419 4.739 4.320 0.001 0.000 0.208 620 A C 1.750 179.313 177.584 -0.035 0.000 1.177 620 A CA 1.140 53.134 52.037 -0.071 0.000 0.804 620 A CB -0.938 18.034 19.000 -0.047 0.000 0.823 620 A HN 1.901 nan 8.150 nan 0.000 0.482 621 G N -0.332 108.450 108.800 -0.029 0.000 2.157 621 G HA2 -0.202 3.759 3.960 0.001 0.000 0.248 621 G HA3 -0.202 3.759 3.960 0.001 0.000 0.248 621 G C -0.431 174.469 174.900 -0.001 0.000 0.979 621 G CA 0.104 45.202 45.100 -0.003 0.000 0.650 621 G HN 0.483 nan 8.290 nan 0.000 0.529 622 D N 0.481 120.877 120.400 -0.008 0.000 2.389 622 D HA 0.452 5.092 4.640 0.001 0.000 0.247 622 D C 1.637 177.941 176.300 0.006 0.000 1.128 622 D CA 0.946 54.944 54.000 -0.003 0.000 0.884 622 D CB 1.302 42.096 40.800 -0.009 0.000 1.194 622 D HN 0.405 nan 8.370 nan 0.000 0.441 623 T N -2.607 111.952 114.554 0.008 0.000 3.003 623 T HA 0.192 4.543 4.350 0.001 0.000 0.261 623 T C 0.554 175.260 174.700 0.010 0.000 1.003 623 T CA -0.273 61.835 62.100 0.014 0.000 0.917 623 T CB 0.130 69.007 68.868 0.015 0.000 1.084 623 T HN 0.330 nan 8.240 nan 0.000 0.522 624 S N -0.056 115.647 115.700 0.004 0.000 2.618 624 S HA 0.697 5.168 4.470 0.001 0.000 0.277 624 S C 0.083 174.681 174.600 -0.002 0.000 1.138 624 S CA 0.018 58.219 58.200 0.002 0.000 0.844 624 S CB 0.746 63.946 63.200 0.001 0.000 1.127 624 S HN 1.346 nan 8.310 nan 0.000 0.474 629 T N 0.532 115.079 114.554 -0.011 0.000 3.003 629 T HA 0.061 4.411 4.350 0.001 0.000 0.261 629 T C 1.733 176.428 174.700 -0.009 0.000 1.003 629 T CA 1.239 63.332 62.100 -0.011 0.000 0.917 629 T CB 0.158 69.020 68.868 -0.008 0.000 1.084 629 T HN 0.381 nan 8.240 nan 0.000 0.522 630 S N 1.189 116.884 115.700 -0.008 0.000 2.368 630 S HA -0.081 4.390 4.470 0.001 0.000 0.225 630 S C 1.451 176.046 174.600 -0.007 0.000 1.030 630 S CA 1.405 59.601 58.200 -0.006 0.000 0.999 630 S CB -1.224 61.973 63.200 -0.005 0.000 0.844 630 S HN 0.610 nan 8.310 nan 0.000 0.459 631 T N 0.755 115.303 114.554 -0.009 0.000 3.185 631 T HA 0.649 5.000 4.350 0.001 0.000 0.287 631 T C -0.580 174.112 174.700 -0.013 0.000 1.051 631 T CA -0.547 61.547 62.100 -0.010 0.000 1.051 631 T CB -0.554 68.307 68.868 -0.011 0.000 1.034 631 T HN 0.429 nan 8.240 nan 0.000 0.685 632 L N 1.814 123.030 121.223 -0.011 0.000 2.982 632 L HA 0.490 4.830 4.340 0.001 0.000 0.262 632 L C 1.001 177.866 176.870 -0.009 0.000 0.932 632 L CA -0.673 54.159 54.840 -0.013 0.000 1.058 632 L CB 0.813 42.863 42.059 -0.015 0.000 1.665 632 L HN 0.502 nan 8.230 nan 0.000 0.499 633 A N 2.566 125.380 122.820 -0.009 0.000 1.892 633 A HA -0.154 4.167 4.320 0.001 0.000 0.218 633 A C 0.624 178.207 177.584 -0.002 0.000 1.188 633 A CA 2.231 54.265 52.037 -0.005 0.000 0.631 633 A CB -0.247 18.750 19.000 -0.005 0.000 0.822 633 A HN 0.738 nan 8.150 nan 0.000 0.447 634 D N -2.764 117.634 120.400 -0.002 0.000 2.346 634 D HA 0.405 5.045 4.640 0.001 0.000 0.255 634 D C -2.373 173.928 176.300 0.002 0.000 1.276 634 D CA -1.850 52.151 54.000 0.002 0.000 0.941 634 D CB 1.201 42.005 40.800 0.007 0.000 1.199 634 D HN -0.072 nan 8.370 nan 0.000 0.537 635 P HA 0.031 nan 4.420 nan 0.000 0.223 635 P C 1.434 178.737 177.300 0.005 0.000 1.144 635 P CA 0.664 63.764 63.100 0.000 0.000 0.783 635 P CB 0.318 32.019 31.700 0.000 0.000 0.771 636 G N 0.262 109.069 108.800 0.010 0.000 2.559 636 G HA2 -0.187 3.774 3.960 0.001 0.000 0.216 636 G HA3 -0.187 3.774 3.960 0.001 0.000 0.216 636 G C 1.504 176.418 174.900 0.024 0.000 1.126 636 G CA 0.762 45.873 45.100 0.017 0.000 0.778 636 G HN 0.345 nan 8.290 nan 0.000 0.543 637 V N -1.114 118.811 119.914 0.019 0.000 2.490 637 V HA -0.151 3.970 4.120 0.001 0.000 0.250 637 V C 2.595 178.705 176.094 0.027 0.000 1.061 637 V CA 1.626 63.940 62.300 0.024 0.000 1.064 637 V CB -0.786 31.042 31.823 0.007 0.000 0.670 637 V HN 0.135 nan 8.190 nan 0.000 0.461 638 V N 1.082 121.004 119.914 0.014 0.000 2.343 638 V HA -0.164 3.957 4.120 0.001 0.000 0.247 638 V C 3.307 179.424 176.094 0.038 0.000 1.051 638 V CA 2.565 64.874 62.300 0.015 0.000 1.036 638 V CB -1.373 30.451 31.823 0.002 0.000 0.654 638 V HN 0.772 nan 8.190 nan 0.000 0.451 639 E N 0.674 120.896 120.200 0.038 0.000 2.051 639 E HA -0.308 4.043 4.350 0.001 0.000 0.192 639 E C 2.353 178.993 176.600 0.067 0.000 0.991 639 E CA 2.430 58.858 56.400 0.046 0.000 0.799 639 E CB -0.958 28.764 29.700 0.036 0.000 0.748 639 E HN 0.701 nan 8.360 nan 0.000 0.449 640 K N 0.532 120.976 120.400 0.073 0.000 2.063 640 K HA 0.094 4.414 4.320 0.001 0.000 0.208 640 K C 2.432 179.124 176.600 0.152 0.000 1.048 640 K CA 1.422 57.768 56.287 0.099 0.000 0.928 640 K CB -0.992 31.565 32.500 0.095 0.000 0.713 640 K HN 0.443 nan 8.250 nan 0.000 0.442 641 L N 0.020 121.338 121.223 0.158 0.000 2.042 641 L HA -0.157 4.184 4.340 0.001 0.000 0.210 641 L C 2.813 179.847 176.870 0.274 0.000 1.076 641 L CA 1.247 56.234 54.840 0.245 0.000 0.749 641 L CB -0.448 41.692 42.059 0.135 0.000 0.893 641 L HN 0.315 nan 8.230 nan 0.000 0.432 642 L N -0.578 120.743 121.223 0.164 0.000 2.017 642 L HA -0.243 4.098 4.340 0.001 0.000 0.208 642 L C 2.560 179.502 176.870 0.120 0.000 1.073 642 L CA 1.390 56.309 54.840 0.132 0.000 0.745 642 L CB -0.474 41.633 42.059 0.080 0.000 0.894 642 L HN 0.266 nan 8.230 nan 0.000 0.432 643 E N 0.052 120.313 120.200 0.102 0.000 2.049 643 E HA -0.281 4.070 4.350 0.001 0.000 0.198 643 E C 2.087 178.730 176.600 0.072 0.000 1.007 643 E CA 1.847 58.293 56.400 0.077 0.000 0.809 643 E CB -0.069 29.672 29.700 0.069 0.000 0.749 643 E HN 0.505 nan 8.360 nan 0.000 0.450 644 E N 0.498 120.757 120.200 0.097 0.000 2.118 644 E HA -0.199 4.151 4.350 0.001 0.000 0.195 644 E C 2.071 178.617 176.600 -0.091 0.000 0.992 644 E CA 0.680 57.083 56.400 0.005 0.000 0.804 644 E CB -0.000 29.730 29.700 0.051 0.000 0.741 644 E HN 0.005 nan 8.360 nan 0.000 0.458 645 K N 1.055 121.514 120.400 0.098 0.000 2.057 645 K HA -0.192 4.128 4.320 0.001 0.000 0.207 645 K C 2.012 178.649 176.600 0.063 0.000 1.049 645 K CA 1.349 57.718 56.287 0.135 0.000 0.931 645 K CB -0.045 32.605 32.500 0.250 0.000 0.714 645 K HN 0.043 nan 8.250 nan 0.000 0.440 646 Q N -0.099 119.734 119.800 0.055 0.000 2.439 646 Q HA 0.009 4.350 4.340 0.001 0.000 0.211 646 Q C 0.410 176.418 176.000 0.013 0.000 0.978 646 Q CA 0.825 56.649 55.803 0.035 0.000 0.897 646 Q CB 0.065 28.824 28.738 0.035 0.000 0.956 646 Q HN 0.310 nan 8.270 nan 0.000 0.483 647 A N 0.000 122.817 122.820 -0.006 0.000 2.254 647 A HA 0.000 4.320 4.320 0.001 0.000 0.244 647 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 647 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 647 A HN 0.000 nan 8.150 nan 0.000 0.486