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 2p2m_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 TADEGVRAGA 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 LYAEVRNWVR KEIGPLATPD VLHWTDSLPK DATA SEQUENCE TRSGKIMRRI LRKIAAGDTS NXXXXXTLAD 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 0.000 175.213 175.328 -0.192 0.000 0.993 5 H CA 0.000 55.956 56.048 -0.154 0.000 1.023 5 H CB 0.000 29.656 29.762 -0.177 0.000 1.292 6 K N 2.206 122.490 120.400 -0.192 0.000 2.130 6 K HA 0.385 4.706 4.320 0.001 0.000 0.268 6 K C -0.695 175.772 176.600 -0.223 0.000 0.983 6 K CA -0.801 55.388 56.287 -0.163 0.000 0.893 6 K CB 1.074 33.506 32.500 -0.114 0.000 1.066 6 K HN 0.692 nan 8.250 nan 0.000 0.450 7 H N 1.201 120.195 119.070 -0.127 0.000 2.668 7 H HA 0.165 4.721 4.556 0.000 0.000 0.303 7 H C 0.026 175.358 175.328 0.008 0.000 1.074 7 H CA -0.384 55.619 56.048 -0.074 0.000 1.406 7 H CB 1.303 31.006 29.762 -0.099 0.000 1.442 7 H HN 0.700 nan 8.280 nan 0.000 0.482 8 A N 4.358 127.241 122.820 0.105 0.000 2.406 8 A HA 0.203 4.523 4.320 0.001 0.000 0.243 8 A C 0.573 178.240 177.584 0.138 0.000 1.082 8 A CA -0.483 51.612 52.037 0.097 0.000 0.786 8 A CB 0.082 19.122 19.000 0.067 0.000 1.029 8 A HN 0.734 nan 8.150 nan 0.000 0.495 9 I N 3.011 123.643 120.570 0.104 0.000 2.517 9 I HA 0.166 4.337 4.170 0.001 0.000 0.285 9 I C -1.501 174.674 176.117 0.097 0.000 1.106 9 I CA -1.137 60.224 61.300 0.101 0.000 1.402 9 I CB 0.549 38.592 38.000 0.072 0.000 1.399 9 I HN 0.524 nan 8.210 nan 0.000 0.535 10 P HA 0.154 nan 4.420 nan 0.000 0.274 10 P C 0.346 177.681 177.300 0.058 0.000 1.231 10 P CA -0.442 62.712 63.100 0.089 0.000 0.790 10 P CB 1.200 32.955 31.700 0.093 0.000 0.951 11 A N 3.069 125.917 122.820 0.046 0.000 1.908 11 A HA -0.239 4.082 4.320 0.001 0.000 0.218 11 A C 1.953 179.551 177.584 0.023 0.000 1.181 11 A CA 1.987 54.043 52.037 0.032 0.000 0.627 11 A CB -1.329 17.686 19.000 0.025 0.000 0.818 11 A HN 0.780 nan 8.150 nan 0.000 0.445 12 N N 0.419 119.128 118.700 0.015 0.000 2.166 12 N HA -0.161 4.580 4.740 0.001 0.000 0.186 12 N C 1.492 177.002 175.510 0.001 0.000 1.019 12 N CA 1.903 54.953 53.050 -0.000 0.000 0.856 12 N CB -0.488 37.992 38.487 -0.013 0.000 0.993 12 N HN 0.399 nan 8.380 nan 0.000 0.426 13 I N 1.723 122.305 120.570 0.019 0.000 2.286 13 I HA -0.024 4.146 4.170 0.001 0.000 0.245 13 I C 2.756 178.899 176.117 0.044 0.000 1.104 13 I CA 0.787 62.106 61.300 0.032 0.000 1.397 13 I CB -1.675 36.355 38.000 0.049 0.000 1.072 13 I HN 0.164 nan 8.210 nan 0.000 0.417 14 A N 0.841 123.687 122.820 0.045 0.000 1.948 14 A HA -0.252 4.069 4.320 0.001 0.000 0.220 14 A C 1.900 179.510 177.584 0.043 0.000 1.177 14 A CA 2.233 54.298 52.037 0.046 0.000 0.636 14 A CB -0.686 18.339 19.000 0.042 0.000 0.815 14 A HN 0.373 nan 8.150 nan 0.000 0.449 15 D N -1.187 119.231 120.400 0.031 0.000 2.312 15 D HA -0.075 4.566 4.640 0.001 0.000 0.211 15 D C 2.044 178.363 176.300 0.032 0.000 0.964 15 D CA 1.403 55.419 54.000 0.025 0.000 0.877 15 D CB -0.078 40.728 40.800 0.011 0.000 0.924 15 D HN 0.830 nan 8.370 nan 0.000 0.515 16 R N -0.109 120.413 120.500 0.036 0.000 2.453 16 R HA 0.140 4.481 4.340 0.001 0.000 0.233 16 R C 0.859 177.272 176.300 0.188 0.000 0.895 16 R CA -0.187 55.947 56.100 0.057 0.000 1.028 16 R CB -0.752 29.474 30.300 -0.124 0.000 1.255 16 R HN 0.141 nan 8.270 nan 0.000 0.571 17 C N 1.176 120.562 119.300 0.144 0.000 2.611 17 C HA 0.227 4.687 4.460 0.001 0.000 0.416 17 C C 1.854 176.941 174.990 0.161 0.000 1.366 17 C CA -0.810 58.311 59.018 0.171 0.000 1.761 17 C CB -0.152 27.656 27.740 0.113 0.000 2.619 17 C HN 0.495 nan 8.230 nan 0.000 0.606 18 L N 2.277 123.601 121.223 0.168 0.000 2.156 18 L HA 0.109 4.450 4.340 0.001 0.000 0.208 18 L C 0.792 177.699 176.870 0.062 0.000 1.095 18 L CA 1.006 55.919 54.840 0.123 0.000 0.770 18 L CB -0.415 41.759 42.059 0.193 0.000 0.914 18 L HN 0.661 nan 8.230 nan 0.000 0.439 19 I N 0.874 121.481 120.570 0.062 0.000 2.410 19 I HA 0.203 4.374 4.170 0.001 0.000 0.286 19 I C -0.518 175.643 176.117 0.073 0.000 1.009 19 I CA -0.748 60.572 61.300 0.034 0.000 1.111 19 I CB 1.074 39.095 38.000 0.035 0.000 1.262 19 I HN 0.131 nan 8.210 nan 0.000 0.443 20 N N 7.578 126.320 118.700 0.069 0.000 2.448 20 N HA 0.492 5.233 4.740 0.001 0.000 0.274 20 N C -2.386 173.183 175.510 0.097 0.000 1.239 20 N CA -1.774 51.320 53.050 0.072 0.000 0.982 20 N CB 0.114 38.636 38.487 0.058 0.000 1.199 20 N HN 0.107 nan 8.380 nan 0.000 0.576 21 P HA -0.096 nan 4.420 nan 0.000 0.216 21 P C 0.567 177.953 177.300 0.142 0.000 1.150 21 P CA 1.545 64.710 63.100 0.108 0.000 0.837 21 P CB 0.187 31.930 31.700 0.073 0.000 0.786 22 E N -0.405 119.851 120.200 0.094 0.000 2.072 22 E HA -0.170 4.180 4.350 0.001 0.000 0.191 22 E C 2.161 178.799 176.600 0.064 0.000 0.985 22 E CA 1.212 57.656 56.400 0.072 0.000 0.801 22 E CB -0.920 28.807 29.700 0.045 0.000 0.750 22 E HN 0.380 nan 8.360 nan 0.000 0.452 23 Q N -0.799 119.038 119.800 0.062 0.000 2.119 23 Q HA -0.172 4.169 4.340 0.001 0.000 0.201 23 Q C 1.925 177.957 176.000 0.052 0.000 0.972 23 Q CA 1.339 57.155 55.803 0.022 0.000 0.847 23 Q CB -0.277 28.464 28.738 0.004 0.000 0.903 23 Q HN 0.395 nan 8.270 nan 0.000 0.433 24 Y N 1.792 122.137 120.300 0.074 0.000 2.145 24 Y HA -0.232 4.318 4.550 0.001 0.000 0.286 24 Y C 2.018 178.035 175.900 0.195 0.000 1.145 24 Y CA 1.478 59.703 58.100 0.207 0.000 1.148 24 Y CB 0.122 38.646 38.460 0.106 0.000 0.981 24 Y HN -0.002 nan 8.280 nan 0.000 0.507 25 E N -0.232 119.993 120.200 0.041 0.000 2.051 25 E HA -0.149 4.202 4.350 0.001 0.000 0.192 25 E C 2.196 178.746 176.600 -0.084 0.000 0.991 25 E CA 1.851 58.231 56.400 -0.032 0.000 0.799 25 E CB -0.734 29.018 29.700 0.087 0.000 0.748 25 E HN 0.521 nan 8.360 nan 0.000 0.449 26 T N 1.859 116.369 114.554 -0.073 0.000 2.652 26 T HA -0.143 4.208 4.350 0.001 0.000 0.267 26 T C 1.930 176.508 174.700 -0.203 0.000 1.039 26 T CA 1.510 63.549 62.100 -0.102 0.000 1.153 26 T CB -0.128 68.695 68.868 -0.074 0.000 0.863 26 T HN 0.139 nan 8.240 nan 0.000 0.428 27 K N -0.136 120.074 120.400 -0.316 0.000 2.057 27 K HA -0.088 4.233 4.320 0.001 0.000 0.207 27 K C 2.192 178.325 176.600 -0.778 0.000 1.049 27 K CA 1.238 57.168 56.287 -0.594 0.000 0.931 27 K CB -0.355 31.514 32.500 -1.052 0.000 0.714 27 K HN 0.342 nan 8.250 nan 0.000 0.440 28 Y N 2.182 122.120 120.300 -0.604 0.000 2.128 28 Y HA -0.351 4.196 4.550 -0.004 0.000 0.284 28 Y C 2.561 178.247 175.900 -0.356 0.000 1.154 28 Y CA 2.789 60.636 58.100 -0.421 0.000 1.149 28 Y CB -0.469 37.647 38.460 -0.574 0.000 0.976 28 Y HN 0.025 nan 8.280 nan 0.000 0.505 29 K N 0.473 120.732 120.400 -0.236 0.000 2.032 29 K HA -0.245 4.075 4.320 0.001 0.000 0.209 29 K C 2.115 178.553 176.600 -0.269 0.000 1.048 29 K CA 1.927 58.098 56.287 -0.193 0.000 0.927 29 K CB -1.138 31.319 32.500 -0.072 0.000 0.712 29 K HN 0.687 nan 8.250 nan 0.000 0.441 30 Q N 0.492 120.116 119.800 -0.292 0.000 2.084 30 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 30 Q C 2.481 178.275 176.000 -0.343 0.000 0.978 30 Q CA 2.195 57.860 55.803 -0.231 0.000 0.844 30 Q CB -0.196 28.474 28.738 -0.114 0.000 0.898 30 Q HN 0.808 nan 8.270 nan 0.000 0.426 31 S N -0.049 115.180 115.700 -0.786 0.000 2.400 31 S HA -0.153 4.318 4.470 0.001 0.000 0.232 31 S C 1.782 176.180 174.600 -0.337 0.000 1.025 31 S CA 1.152 58.822 58.200 -0.883 0.000 0.993 31 S CB -0.251 62.121 63.200 -1.379 0.000 0.808 31 S HN 0.334 nan 8.310 nan 0.000 0.478 32 I N 2.569 122.905 120.570 -0.391 0.000 2.429 32 I HA 0.091 4.262 4.170 0.001 0.000 0.247 32 I C 1.906 177.969 176.117 -0.090 0.000 1.099 32 I CA 0.668 61.838 61.300 -0.216 0.000 1.422 32 I CB -1.666 36.153 38.000 -0.302 0.000 1.112 32 I HN 0.281 nan 8.210 nan 0.000 0.430 33 N N 0.471 119.107 118.700 -0.107 0.000 2.354 33 N HA -0.094 4.647 4.740 0.001 0.000 0.179 33 N C 0.288 175.788 175.510 -0.016 0.000 1.021 33 N CA 0.944 53.965 53.050 -0.048 0.000 0.887 33 N CB 0.113 38.570 38.487 -0.051 0.000 0.974 33 N HN 0.271 nan 8.380 nan 0.000 0.437 34 D N -0.815 119.579 120.400 -0.009 0.000 2.846 34 D HA 0.162 4.803 4.640 0.001 0.000 0.279 34 D C -2.055 174.314 176.300 0.116 0.000 1.222 34 D CA -1.535 52.490 54.000 0.042 0.000 0.769 34 D CB 0.987 41.807 40.800 0.033 0.000 1.299 34 D HN -0.055 nan 8.370 nan 0.000 0.537 35 P HA -0.105 nan 4.420 nan 0.000 0.218 35 P C 0.860 178.418 177.300 0.430 0.000 1.148 35 P CA 0.832 64.168 63.100 0.394 0.000 0.822 35 P CB 0.747 32.705 31.700 0.430 0.000 0.784 36 D N -0.512 120.025 120.400 0.229 0.000 2.084 36 D HA -0.097 4.544 4.640 0.001 0.000 0.196 36 D C 2.024 178.443 176.300 0.199 0.000 0.985 36 D CA 1.539 55.647 54.000 0.180 0.000 0.826 36 D CB -1.001 39.843 40.800 0.073 0.000 0.978 36 D HN 0.127 nan 8.370 nan 0.000 0.456 37 T N 0.711 115.356 114.554 0.150 0.000 2.708 37 T HA -0.159 4.191 4.350 0.001 0.000 0.266 37 T C 1.767 176.538 174.700 0.118 0.000 1.037 37 T CA 0.858 63.028 62.100 0.118 0.000 1.146 37 T CB -0.574 68.339 68.868 0.075 0.000 0.865 37 T HN 0.103 nan 8.240 nan 0.000 0.435 38 F N 0.400 120.339 119.950 -0.018 0.000 2.026 38 F HA -0.117 4.406 4.527 -0.008 0.000 0.296 38 F C 1.944 177.672 175.800 -0.121 0.000 1.133 38 F CA 1.359 59.256 58.000 -0.172 0.000 1.188 38 F CB -0.520 38.260 39.000 -0.368 0.000 0.968 38 F HN 0.197 nan 8.300 nan 0.000 0.476 39 W N 0.331 121.824 121.300 0.321 0.000 2.519 39 W HA 0.056 4.724 4.660 0.013 0.000 0.266 39 W C 2.569 179.270 176.519 0.304 0.000 1.253 39 W CA 0.777 58.306 57.345 0.307 0.000 1.274 39 W CB -1.023 28.713 29.460 0.461 0.000 1.114 39 W HN 0.176 nan 8.180 nan 0.000 0.596 40 G N 0.661 109.717 108.800 0.426 0.000 2.418 40 G HA2 -0.258 3.703 3.960 0.001 0.000 0.217 40 G HA3 -0.258 3.703 3.960 0.001 0.000 0.217 40 G C 1.253 176.349 174.900 0.326 0.000 1.158 40 G CA 1.209 46.562 45.100 0.422 0.000 0.771 40 G HN 0.299 nan 8.290 nan 0.000 0.545 41 E N -0.537 119.735 120.200 0.120 0.000 2.051 41 E HA -0.085 4.266 4.350 0.001 0.000 0.189 41 E C 2.521 179.131 176.600 0.017 0.000 0.979 41 E CA 0.855 57.269 56.400 0.023 0.000 0.803 41 E CB -0.103 29.544 29.700 -0.088 0.000 0.761 41 E HN 0.301 nan 8.360 nan 0.000 0.451 42 Q N 0.626 120.368 119.800 -0.096 0.000 2.170 42 Q HA -0.086 4.255 4.340 0.001 0.000 0.203 42 Q C 1.968 178.113 176.000 0.241 0.000 0.976 42 Q CA 1.664 57.447 55.803 -0.033 0.000 0.858 42 Q CB -0.676 27.878 28.738 -0.308 0.000 0.907 42 Q HN 0.303 nan 8.270 nan 0.000 0.433 43 G N 0.170 109.193 108.800 0.372 0.000 2.501 43 G HA2 -0.221 3.739 3.960 0.001 0.000 0.220 43 G HA3 -0.221 3.739 3.960 0.001 0.000 0.220 43 G C 1.126 176.271 174.900 0.409 0.000 1.114 43 G CA 0.546 45.828 45.100 0.302 0.000 0.757 43 G HN 0.205 nan 8.290 nan 0.000 0.559 44 K N 0.171 120.749 120.400 0.295 0.000 2.555 44 K HA 0.161 4.482 4.320 0.001 0.000 0.193 44 K C 1.895 178.607 176.600 0.187 0.000 1.032 44 K CA -0.141 56.288 56.287 0.236 0.000 1.004 44 K CB -0.104 32.469 32.500 0.122 0.000 0.804 44 K HN 0.471 nan 8.250 nan 0.000 0.496 45 I N 0.616 121.292 120.570 0.175 0.000 2.567 45 I HA -0.146 4.024 4.170 0.001 0.000 0.257 45 I C 0.253 176.421 176.117 0.085 0.000 1.184 45 I CA 0.695 62.062 61.300 0.112 0.000 1.451 45 I CB 0.302 38.356 38.000 0.089 0.000 1.089 45 I HN 0.004 nan 8.210 nan 0.000 0.441 46 L N 0.556 121.849 121.223 0.117 0.000 2.334 46 L HA 0.352 4.693 4.340 0.001 0.000 0.272 46 L C -0.666 176.196 176.870 -0.014 0.000 1.020 46 L CA -1.059 53.757 54.840 -0.040 0.000 0.812 46 L CB 0.905 42.808 42.059 -0.259 0.000 1.264 46 L HN -0.112 nan 8.230 nan 0.000 0.439 47 D N 0.588 120.906 120.400 -0.137 0.000 2.308 47 D HA 0.270 4.911 4.640 0.001 0.000 0.251 47 D C -1.069 175.099 176.300 -0.220 0.000 1.127 47 D CA 0.237 54.193 54.000 -0.073 0.000 0.876 47 D CB 0.828 41.573 40.800 -0.091 0.000 1.176 47 D HN 0.159 nan 8.370 nan 0.000 0.446 48 W N 1.866 123.147 121.300 -0.032 0.000 2.632 48 W HA 0.405 5.065 4.660 0.001 0.000 0.328 48 W C 1.175 177.679 176.519 -0.024 0.000 1.044 48 W CA -0.666 56.667 57.345 -0.020 0.000 1.225 48 W CB 0.803 30.241 29.460 -0.037 0.000 1.396 48 W HN 0.318 nan 8.180 nan 0.000 0.499 49 I N 1.233 121.906 120.570 0.171 0.000 2.206 49 I HA -0.098 4.072 4.170 0.001 0.000 0.239 49 I C 1.481 177.668 176.117 0.117 0.000 1.078 49 I CA 1.156 62.518 61.300 0.105 0.000 1.367 49 I CB -0.337 37.700 38.000 0.063 0.000 1.078 49 I HN 0.385 nan 8.210 nan 0.000 0.413 50 T N 0.548 115.196 114.554 0.156 0.000 2.779 50 T HA 0.416 4.767 4.350 0.001 0.000 0.280 50 T C -2.572 172.203 174.700 0.125 0.000 0.987 50 T CA -2.327 59.841 62.100 0.113 0.000 0.966 50 T CB 1.560 70.479 68.868 0.085 0.000 0.933 50 T HN -0.125 nan 8.240 nan 0.000 0.442 51 P HA 0.116 nan 4.420 nan 0.000 0.269 51 P C -0.456 176.683 177.300 -0.268 0.000 1.209 51 P CA -0.308 62.644 63.100 -0.247 0.000 0.776 51 P CB 0.171 31.704 31.700 -0.279 0.000 0.876 52 Y N 0.186 120.280 120.300 -0.342 0.000 2.314 52 Y HA 0.289 4.839 4.550 -0.001 0.000 0.334 52 Y C 1.476 177.299 175.900 -0.129 0.000 1.266 52 Y CA -0.351 57.609 58.100 -0.233 0.000 1.391 52 Y CB -0.010 38.262 38.460 -0.314 0.000 1.306 52 Y HN 0.391 nan 8.280 nan 0.000 0.558 53 Q N 0.657 120.545 119.800 0.146 0.000 2.580 53 Q HA 0.215 4.555 4.340 0.001 0.000 0.239 53 Q C -0.298 175.788 176.000 0.143 0.000 0.873 53 Q CA -0.161 55.702 55.803 0.100 0.000 0.951 53 Q CB 0.461 29.219 28.738 0.033 0.000 1.172 53 Q HN 0.608 nan 8.270 nan 0.000 0.616 54 K N 0.820 121.279 120.400 0.098 0.000 2.326 54 K HA 0.166 4.487 4.320 0.001 0.000 0.275 54 K C 0.084 176.679 176.600 -0.008 0.000 1.018 54 K CA -0.190 56.109 56.287 0.020 0.000 0.962 54 K CB 1.677 34.160 32.500 -0.029 0.000 0.953 54 K HN -0.073 nan 8.250 nan 0.000 0.475 55 V N 1.785 121.629 119.914 -0.116 0.000 3.669 55 V HA 0.049 4.170 4.120 0.001 0.000 0.203 55 V C 0.094 175.871 176.094 -0.528 0.000 1.149 55 V CA 0.154 62.287 62.300 -0.278 0.000 1.346 55 V CB 0.084 31.863 31.823 -0.074 0.000 1.510 55 V HN 0.637 nan 8.190 nan 0.000 0.506 56 K N 2.200 122.248 120.400 -0.587 0.000 2.248 56 K HA 0.276 4.597 4.320 0.001 0.000 0.281 56 K C -0.798 175.381 176.600 -0.701 0.000 1.054 56 K CA -0.053 55.584 56.287 -1.084 0.000 0.903 56 K CB 0.323 32.262 32.500 -0.935 0.000 1.077 56 K HN 0.388 nan 8.250 nan 0.000 0.474 57 N N 3.228 121.470 118.700 -0.763 0.000 2.725 57 N HA 0.109 4.850 4.740 0.001 0.000 0.248 57 N C -1.941 173.324 175.510 -0.409 0.000 1.402 57 N CA -0.344 52.438 53.050 -0.447 0.000 0.766 57 N CB 1.122 39.426 38.487 -0.305 0.000 1.223 57 N HN 0.662 nan 8.380 nan 0.000 0.515 58 T N -1.635 112.686 114.554 -0.389 0.000 2.906 58 T HA 0.782 5.133 4.350 0.001 0.000 0.295 58 T C -0.851 173.712 174.700 -0.228 0.000 1.061 58 T CA -0.762 61.159 62.100 -0.299 0.000 1.000 58 T CB 1.854 70.517 68.868 -0.342 0.000 1.103 58 T HN 0.084 nan 8.240 nan 0.000 0.486 59 S N 0.339 115.954 115.700 -0.142 0.000 2.546 59 S HA 0.567 5.038 4.470 0.001 0.000 0.272 59 S C -0.869 173.792 174.600 0.102 0.000 1.140 59 S CA -0.893 57.257 58.200 -0.083 0.000 0.920 59 S CB 0.860 64.038 63.200 -0.037 0.000 1.083 59 S HN 0.731 nan 8.310 nan 0.000 0.476 60 F N 2.172 122.103 119.950 -0.031 0.000 2.641 60 F HA 0.353 4.881 4.527 0.002 0.000 0.302 60 F C 1.406 177.196 175.800 -0.016 0.000 1.098 60 F CA -0.650 57.309 58.000 -0.069 0.000 1.318 60 F CB 0.405 39.533 39.000 0.213 0.000 1.035 60 F HN 0.668 nan 8.300 nan 0.000 0.551 61 A N 1.519 124.432 122.820 0.155 0.000 2.462 61 A HA 0.255 4.576 4.320 0.001 0.000 0.243 61 A C -2.288 175.348 177.584 0.087 0.000 1.076 61 A CA -1.261 50.845 52.037 0.116 0.000 0.773 61 A CB -0.359 18.684 19.000 0.071 0.000 1.010 61 A HN -0.040 nan 8.150 nan 0.000 0.493 62 P HA 0.134 nan 4.420 nan 0.000 0.260 62 P C 1.114 178.447 177.300 0.056 0.000 1.172 62 P CA 2.107 65.251 63.100 0.074 0.000 0.760 62 P CB 0.401 32.142 31.700 0.069 0.000 0.773 63 G N 3.097 111.929 108.800 0.053 0.000 2.189 63 G HA2 -0.280 3.681 3.960 0.001 0.000 0.267 63 G HA3 -0.280 3.681 3.960 0.001 0.000 0.267 63 G C 0.511 175.446 174.900 0.059 0.000 0.975 63 G CA -0.070 45.063 45.100 0.054 0.000 0.644 63 G HN 0.632 nan 8.290 nan 0.000 0.537 64 N N -0.108 118.625 118.700 0.054 0.000 2.588 64 N HA 0.229 4.970 4.740 0.001 0.000 0.298 64 N C -0.051 175.489 175.510 0.049 0.000 1.718 64 N CA -0.064 53.015 53.050 0.049 0.000 0.888 64 N CB 1.565 40.070 38.487 0.029 0.000 1.389 64 N HN 0.151 nan 8.380 nan 0.000 0.491 65 V N 1.393 121.343 119.914 0.060 0.000 2.421 65 V HA 0.142 4.262 4.120 0.001 0.000 0.271 65 V C 0.520 176.710 176.094 0.161 0.000 1.031 65 V CA 0.443 62.741 62.300 -0.003 0.000 1.032 65 V CB 0.754 32.412 31.823 -0.276 0.000 1.009 65 V HN 0.224 nan 8.190 nan 0.000 0.477 66 S N 6.478 122.227 115.700 0.081 0.000 2.720 66 S HA 0.663 5.134 4.470 0.001 0.000 0.278 66 S C -1.026 173.581 174.600 0.012 0.000 1.172 66 S CA -0.557 57.666 58.200 0.039 0.000 1.019 66 S CB 0.673 63.858 63.200 -0.025 0.000 1.049 66 S HN 0.513 nan 8.310 nan 0.000 0.483 67 I N 4.820 125.406 120.570 0.027 0.000 2.382 67 I HA 0.507 4.678 4.170 0.001 0.000 0.285 67 I C -0.362 175.738 176.117 -0.028 0.000 1.007 67 I CA -0.350 60.961 61.300 0.017 0.000 1.142 67 I CB 1.623 39.693 38.000 0.116 0.000 1.289 67 I HN 0.394 nan 8.210 nan 0.000 0.453 68 K N 5.361 125.678 120.400 -0.139 0.000 2.482 68 K HA 0.517 4.838 4.320 0.001 0.000 0.251 68 K C -1.898 174.520 176.600 -0.302 0.000 0.936 68 K CA -0.707 55.506 56.287 -0.123 0.000 0.791 68 K CB 2.362 34.783 32.500 -0.131 0.000 1.213 68 K HN 0.338 nan 8.250 nan 0.000 0.428 69 W N 2.072 123.270 121.300 -0.171 0.000 2.883 69 W HA 0.292 4.952 4.660 -0.001 0.000 0.335 69 W C -0.392 176.021 176.519 -0.177 0.000 1.083 69 W CA -0.230 56.918 57.345 -0.329 0.000 1.233 69 W CB 0.780 29.983 29.460 -0.428 0.000 1.412 69 W HN 0.646 nan 8.180 nan 0.000 0.490 70 Y N 0.395 120.705 120.300 0.017 0.000 3.491 70 Y HA -0.391 4.159 4.550 -0.001 0.000 0.215 70 Y C 1.955 177.872 175.900 0.028 0.000 1.219 70 Y CA 1.071 59.081 58.100 -0.151 0.000 1.485 70 Y CB -1.303 37.019 38.460 -0.231 0.000 1.450 70 Y HN 0.628 nan 8.280 nan 0.000 0.603 71 E N 0.826 121.094 120.200 0.113 0.000 2.204 71 E HA -0.208 4.142 4.350 0.001 0.000 0.195 71 E C 1.223 177.899 176.600 0.127 0.000 0.990 71 E CA 1.593 58.059 56.400 0.110 0.000 0.821 71 E CB -0.079 29.633 29.700 0.020 0.000 0.750 71 E HN 0.675 nan 8.360 nan 0.000 0.477 72 D N 0.905 121.380 120.400 0.125 0.000 2.340 72 D HA 0.119 4.760 4.640 0.001 0.000 0.217 72 D C 0.689 177.083 176.300 0.157 0.000 1.081 72 D CA 0.099 54.167 54.000 0.114 0.000 0.842 72 D CB 0.037 40.880 40.800 0.072 0.000 0.934 72 D HN 0.181 nan 8.370 nan 0.000 0.511 73 G N -0.111 108.835 108.800 0.243 0.000 2.425 73 G HA2 0.519 4.480 3.960 0.001 0.000 0.302 73 G HA3 0.519 4.480 3.960 0.001 0.000 0.302 73 G C -0.181 175.007 174.900 0.480 0.000 1.159 73 G CA -0.378 44.926 45.100 0.339 0.000 0.865 73 G HN 0.221 nan 8.290 nan 0.000 0.515 74 T N -1.548 113.296 114.554 0.482 0.000 2.916 74 T HA 0.775 5.126 4.350 0.001 0.000 0.292 74 T C -0.367 174.482 174.700 0.248 0.000 1.055 74 T CA -0.606 61.682 62.100 0.314 0.000 1.009 74 T CB 1.678 70.649 68.868 0.171 0.000 1.118 74 T HN 1.392 nan 8.240 nan 0.000 0.497 75 L N -0.867 120.373 121.223 0.028 0.000 2.999 75 L HA 0.794 5.135 4.340 0.001 0.000 0.274 75 L C -2.001 174.797 176.870 -0.120 0.000 1.044 75 L CA -1.234 53.507 54.840 -0.164 0.000 0.943 75 L CB 1.917 43.620 42.059 -0.592 0.000 1.522 75 L HN 0.806 nan 8.230 nan 0.000 0.400 76 N N -0.090 118.525 118.700 -0.141 0.000 2.410 76 N HA 0.433 5.173 4.740 0.001 0.000 0.287 76 N C 0.187 175.630 175.510 -0.111 0.000 1.044 76 N CA -0.750 52.250 53.050 -0.084 0.000 0.881 76 N CB 2.271 40.744 38.487 -0.023 0.000 1.405 76 N HN 0.873 nan 8.380 nan 0.000 0.490 77 L N 3.884 125.046 121.223 -0.102 0.000 2.046 77 L HA 0.016 4.357 4.340 0.001 0.000 0.208 77 L C 1.918 178.768 176.870 -0.034 0.000 1.077 77 L CA 2.010 56.784 54.840 -0.109 0.000 0.747 77 L CB -0.196 41.766 42.059 -0.161 0.000 0.896 77 L HN 0.744 nan 8.230 nan 0.000 0.432 78 A N -0.238 122.590 122.820 0.013 0.000 1.969 78 A HA -0.087 4.234 4.320 0.001 0.000 0.218 78 A C 2.425 180.061 177.584 0.086 0.000 1.169 78 A CA 1.438 53.522 52.037 0.079 0.000 0.635 78 A CB -0.903 18.151 19.000 0.090 0.000 0.810 78 A HN 0.593 nan 8.150 nan 0.000 0.445 79 A N 0.057 122.900 122.820 0.039 0.000 1.969 79 A HA -0.160 4.161 4.320 0.001 0.000 0.218 79 A C 1.936 179.481 177.584 -0.065 0.000 1.169 79 A CA 1.505 53.548 52.037 0.010 0.000 0.635 79 A CB -0.528 18.462 19.000 -0.015 0.000 0.810 79 A HN 0.581 nan 8.150 nan 0.000 0.445 80 N N -0.736 117.916 118.700 -0.081 0.000 2.354 80 N HA -0.081 4.659 4.740 0.001 0.000 0.179 80 N C 1.245 176.739 175.510 -0.027 0.000 1.021 80 N CA 1.315 54.292 53.050 -0.122 0.000 0.887 80 N CB -0.146 38.257 38.487 -0.139 0.000 0.974 80 N HN 0.492 nan 8.380 nan 0.000 0.437 81 C N -0.250 119.107 119.300 0.096 0.000 2.780 81 C HA 0.341 4.801 4.460 0.001 0.000 0.267 81 C C 2.142 177.394 174.990 0.437 0.000 1.266 81 C CA -0.157 59.023 59.018 0.270 0.000 1.709 81 C CB -0.569 27.309 27.740 0.229 0.000 1.975 81 C HN 0.313 nan 8.230 nan 0.000 0.582 82 L N -0.937 120.463 121.223 0.295 0.000 3.099 82 L HA 0.232 4.572 4.340 0.001 0.000 0.165 82 L C 1.609 178.573 176.870 0.155 0.000 1.151 82 L CA 0.221 55.283 54.840 0.370 0.000 0.878 82 L CB -0.805 41.469 42.059 0.359 0.000 1.615 82 L HN -0.114 nan 8.230 nan 0.000 0.545 83 D N 1.345 121.790 120.400 0.074 0.000 2.116 83 D HA -0.214 4.427 4.640 0.001 0.000 0.193 83 D C 1.970 178.174 176.300 -0.161 0.000 0.998 83 D CA 1.760 55.713 54.000 -0.079 0.000 0.836 83 D CB -0.196 40.609 40.800 0.009 0.000 0.951 83 D HN 0.320 nan 8.370 nan 0.000 0.449 84 R N -0.030 120.321 120.500 -0.248 0.000 2.235 84 R HA -0.037 4.304 4.340 0.001 0.000 0.213 84 R C 1.117 177.197 176.300 -0.368 0.000 1.059 84 R CA 1.017 56.929 56.100 -0.314 0.000 0.997 84 R CB -0.422 29.665 30.300 -0.355 0.000 0.884 84 R HN 0.350 nan 8.270 nan 0.000 0.462 85 H N 0.547 119.523 119.070 -0.157 0.000 2.551 85 H HA 0.144 4.700 4.556 0.001 0.000 0.266 85 H C 1.932 177.147 175.328 -0.188 0.000 0.964 85 H CA 0.383 56.274 56.048 -0.262 0.000 1.180 85 H CB 0.264 29.654 29.762 -0.619 0.000 1.408 85 H HN 0.202 nan 8.280 nan 0.000 0.563 86 L N 0.413 121.602 121.223 -0.057 0.000 2.027 86 L HA -0.190 4.151 4.340 0.001 0.000 0.206 86 L C 2.762 179.614 176.870 -0.029 0.000 1.074 86 L CA 1.247 56.060 54.840 -0.046 0.000 0.745 86 L CB -0.389 41.587 42.059 -0.139 0.000 0.898 86 L HN 0.237 nan 8.230 nan 0.000 0.433 87 Q N -0.124 119.651 119.800 -0.041 0.000 2.061 87 Q HA -0.225 4.116 4.340 0.001 0.000 0.204 87 Q C 1.874 177.871 176.000 -0.006 0.000 0.984 87 Q CA 1.666 57.455 55.803 -0.023 0.000 0.846 87 Q CB 0.252 28.974 28.738 -0.027 0.000 0.902 87 Q HN 0.416 nan 8.270 nan 0.000 0.421 88 E N -0.642 119.555 120.200 -0.005 0.000 2.340 88 E HA 0.048 4.399 4.350 0.001 0.000 0.198 88 E C 0.337 176.945 176.600 0.014 0.000 0.961 88 E CA 0.487 56.892 56.400 0.007 0.000 0.905 88 E CB 0.350 30.055 29.700 0.009 0.000 0.884 88 E HN 0.388 nan 8.360 nan 0.000 0.491 89 N N -0.211 118.492 118.700 0.004 0.000 2.291 89 N HA 0.112 4.853 4.740 0.001 0.000 0.244 89 N C 1.265 176.808 175.510 0.055 0.000 1.216 89 N CA 0.224 53.278 53.050 0.007 0.000 0.879 89 N CB 1.148 39.598 38.487 -0.062 0.000 1.167 89 N HN 0.057 nan 8.380 nan 0.000 0.515 90 G N 0.858 109.698 108.800 0.066 0.000 2.469 90 G HA2 -0.278 3.683 3.960 0.001 0.000 0.220 90 G HA3 -0.278 3.683 3.960 0.001 0.000 0.220 90 G C 1.127 176.117 174.900 0.149 0.000 1.136 90 G CA 1.056 46.225 45.100 0.115 0.000 0.759 90 G HN 0.254 nan 8.290 nan 0.000 0.562 91 D N -0.435 120.034 120.400 0.114 0.000 2.323 91 D HA 0.020 4.660 4.640 0.001 0.000 0.209 91 D C 1.470 177.852 176.300 0.137 0.000 0.973 91 D CA -0.023 54.042 54.000 0.108 0.000 0.874 91 D CB 0.057 40.902 40.800 0.075 0.000 0.930 91 D HN 0.279 nan 8.370 nan 0.000 0.521 92 R N 1.206 121.812 120.500 0.177 0.000 2.590 92 R HA 0.053 4.394 4.340 0.001 0.000 0.274 92 R C -0.407 176.046 176.300 0.256 0.000 1.061 92 R CA 0.125 56.355 56.100 0.217 0.000 1.081 92 R CB 0.385 30.822 30.300 0.229 0.000 0.984 92 R HN -0.181 nan 8.270 nan 0.000 0.448 93 T N 4.177 118.842 114.554 0.185 0.000 2.817 93 T HA 0.100 4.450 4.350 0.001 0.000 0.295 93 T C 1.044 175.743 174.700 -0.002 0.000 0.958 93 T CA 0.172 62.337 62.100 0.107 0.000 1.157 93 T CB 1.347 70.312 68.868 0.160 0.000 0.898 93 T HN 0.743 nan 8.240 nan 0.000 0.536 94 A N 4.439 127.085 122.820 -0.290 0.000 1.878 94 A HA 0.333 4.654 4.320 0.001 0.000 0.213 94 A C 0.797 178.193 177.584 -0.314 0.000 1.192 94 A CA 0.564 52.182 52.037 -0.698 0.000 0.619 94 A CB 0.070 18.325 19.000 -1.242 0.000 0.837 94 A HN 0.772 nan 8.150 nan 0.000 0.446 95 I N 0.505 120.944 120.570 -0.218 0.000 2.447 95 I HA 0.337 4.507 4.170 0.001 0.000 0.287 95 I C -1.247 174.773 176.117 -0.162 0.000 1.023 95 I CA -0.409 60.802 61.300 -0.148 0.000 1.083 95 I CB 2.031 39.957 38.000 -0.123 0.000 1.245 95 I HN 0.098 nan 8.210 nan 0.000 0.434 96 I N 5.236 125.664 120.570 -0.237 0.000 2.325 96 I HA 0.136 4.307 4.170 0.001 0.000 0.291 96 I C -0.847 175.093 176.117 -0.295 0.000 1.019 96 I CA -0.160 60.864 61.300 -0.459 0.000 1.302 96 I CB 0.701 38.285 38.000 -0.694 0.000 1.401 96 I HN 0.574 nan 8.210 nan 0.000 0.485 97 W N 7.866 128.939 121.300 -0.378 0.000 2.429 97 W HA 0.435 5.096 4.660 0.001 0.000 0.314 97 W C -0.339 176.055 176.519 -0.210 0.000 1.062 97 W CA -0.676 56.522 57.345 -0.246 0.000 1.211 97 W CB 1.145 30.506 29.460 -0.166 0.000 1.305 97 W HN 0.376 nan 8.180 nan 0.000 0.476 98 E N 4.493 124.202 120.200 -0.817 0.000 2.129 98 E HA 0.544 4.895 4.350 0.001 0.000 0.268 98 E C 0.274 176.269 176.600 -1.008 0.000 0.900 98 E CA -0.617 55.377 56.400 -0.677 0.000 0.755 98 E CB 1.089 30.579 29.700 -0.349 0.000 1.117 98 E HN 0.551 nan 8.360 nan 0.000 0.410 99 G N 3.103 111.224 108.800 -1.131 0.000 2.569 99 G HA2 -0.016 3.945 3.960 0.001 0.000 0.249 99 G HA3 -0.016 3.945 3.960 0.001 0.000 0.249 99 G C 0.539 175.287 174.900 -0.254 0.000 1.216 99 G CA -0.084 44.466 45.100 -0.916 0.000 0.845 99 G HN 0.773 nan 8.290 nan 0.000 0.568 100 D N -0.674 119.624 120.400 -0.169 0.000 2.133 100 D HA -0.161 4.480 4.640 0.001 0.000 0.195 100 D C 0.666 177.089 176.300 0.206 0.000 0.997 100 D CA 1.142 55.136 54.000 -0.010 0.000 0.840 100 D CB 0.131 40.874 40.800 -0.094 0.000 0.947 100 D HN 0.301 nan 8.370 nan 0.000 0.452 101 D N -0.922 119.550 120.400 0.120 0.000 2.339 101 D HA 0.042 4.683 4.640 0.001 0.000 0.241 101 D C 0.749 177.078 176.300 0.048 0.000 1.183 101 D CA 0.130 54.214 54.000 0.140 0.000 0.859 101 D CB 1.224 42.092 40.800 0.113 0.000 1.067 101 D HN -0.076 nan 8.370 nan 0.000 0.484 102 T N 1.710 116.293 114.554 0.049 0.000 2.929 102 T HA -0.173 4.177 4.350 0.001 0.000 0.271 102 T C 1.825 176.515 174.700 -0.018 0.000 1.085 102 T CA 1.946 64.043 62.100 -0.006 0.000 1.125 102 T CB -0.089 68.763 68.868 -0.027 0.000 0.874 102 T HN 0.477 nan 8.240 nan 0.000 0.494 103 S N 0.096 115.799 115.700 0.005 0.000 2.469 103 S HA 0.001 4.472 4.470 0.001 0.000 0.238 103 S C 0.857 175.476 174.600 0.031 0.000 0.998 103 S CA 0.338 58.546 58.200 0.014 0.000 0.957 103 S CB -0.301 62.912 63.200 0.023 0.000 0.764 103 S HN 0.664 nan 8.310 nan 0.000 0.514 104 Q N 1.825 121.639 119.800 0.023 0.000 2.347 104 Q HA 0.575 4.916 4.340 0.001 0.000 0.262 104 Q C -0.791 175.197 176.000 -0.020 0.000 0.980 104 Q CA -0.425 55.419 55.803 0.069 0.000 0.867 104 Q CB 1.656 30.476 28.738 0.137 0.000 1.242 104 Q HN 0.589 nan 8.270 nan 0.000 0.453 105 S N 2.105 117.881 115.700 0.126 0.000 2.570 105 S HA 0.694 5.165 4.470 0.001 0.000 0.270 105 S C -1.152 173.630 174.600 0.304 0.000 1.149 105 S CA -1.079 57.206 58.200 0.142 0.000 0.837 105 S CB 2.150 65.407 63.200 0.096 0.000 1.124 105 S HN 0.441 nan 8.310 nan 0.000 0.465 106 K N 0.489 121.083 120.400 0.323 0.000 2.464 106 K HA 0.488 4.809 4.320 0.001 0.000 0.253 106 K C -1.915 174.757 176.600 0.120 0.000 0.933 106 K CA -0.699 55.736 56.287 0.246 0.000 0.801 106 K CB 1.619 34.234 32.500 0.191 0.000 1.271 106 K HN 0.713 nan 8.250 nan 0.000 0.430 107 H N 1.565 120.670 119.070 0.059 0.000 2.541 107 H HA 0.372 4.929 4.556 0.001 0.000 0.316 107 H C -0.693 174.642 175.328 0.012 0.000 1.043 107 H CA -0.377 55.686 56.048 0.026 0.000 1.232 107 H CB 0.469 30.250 29.762 0.031 0.000 1.406 107 H HN 0.289 nan 8.280 nan 0.000 0.469 108 I N 2.965 123.560 120.570 0.042 0.000 2.328 108 I HA 0.153 4.324 4.170 0.001 0.000 0.287 108 I C 0.350 176.455 176.117 -0.021 0.000 1.012 108 I CA -0.625 60.676 61.300 0.002 0.000 1.195 108 I CB 0.866 38.834 38.000 -0.053 0.000 1.350 108 I HN 0.584 nan 8.210 nan 0.000 0.464 109 S N 4.551 120.270 115.700 0.031 0.000 2.584 109 S HA 0.100 4.571 4.470 0.001 0.000 0.270 109 S C 1.099 175.712 174.600 0.022 0.000 1.346 109 S CA -0.110 58.124 58.200 0.057 0.000 1.018 109 S CB 0.506 63.768 63.200 0.103 0.000 0.899 109 S HN 0.525 nan 8.310 nan 0.000 0.542 110 Y N 1.019 121.359 120.300 0.067 0.000 2.151 110 Y HA -0.173 4.378 4.550 0.002 0.000 0.284 110 Y C 2.936 178.900 175.900 0.107 0.000 1.166 110 Y CA 2.252 60.402 58.100 0.083 0.000 1.163 110 Y CB -0.296 38.214 38.460 0.083 0.000 0.974 110 Y HN 0.695 nan 8.280 nan 0.000 0.511 111 R N 0.435 121.074 120.500 0.230 0.000 2.073 111 R HA -0.218 4.123 4.340 0.001 0.000 0.234 111 R C 2.307 178.713 176.300 0.177 0.000 1.134 111 R CA 1.877 58.085 56.100 0.180 0.000 0.952 111 R CB -0.326 30.050 30.300 0.127 0.000 0.850 111 R HN 0.441 nan 8.270 nan 0.000 0.433 112 E N 0.180 120.453 120.200 0.120 0.000 2.077 112 E HA -0.223 4.127 4.350 0.001 0.000 0.193 112 E C 1.983 178.630 176.600 0.079 0.000 0.989 112 E CA 1.170 57.622 56.400 0.087 0.000 0.800 112 E CB -0.048 29.684 29.700 0.055 0.000 0.746 112 E HN 0.246 nan 8.360 nan 0.000 0.452 113 L N 1.462 122.724 121.223 0.064 0.000 2.017 113 L HA -0.209 4.131 4.340 0.001 0.000 0.208 113 L C 2.486 179.418 176.870 0.103 0.000 1.073 113 L CA 2.168 57.031 54.840 0.039 0.000 0.745 113 L CB -0.903 41.132 42.059 -0.040 0.000 0.894 113 L HN 0.325 nan 8.230 nan 0.000 0.432 114 H N -0.033 119.083 119.070 0.077 0.000 2.319 114 H HA -0.252 4.305 4.556 0.001 0.000 0.299 114 H C 2.413 177.788 175.328 0.079 0.000 1.092 114 H CA 2.223 58.328 56.048 0.096 0.000 1.302 114 H CB 0.071 29.906 29.762 0.122 0.000 1.373 114 H HN 0.340 nan 8.280 nan 0.000 0.497 115 R N 0.136 120.680 120.500 0.072 0.000 2.083 115 R HA -0.138 4.203 4.340 0.001 0.000 0.237 115 R C 1.936 178.221 176.300 -0.026 0.000 1.137 115 R CA 2.124 58.229 56.100 0.009 0.000 0.951 115 R CB -0.071 30.282 30.300 0.087 0.000 0.851 115 R HN 0.337 nan 8.270 nan 0.000 0.434 116 D N -0.492 119.918 120.400 0.016 0.000 2.149 116 D HA -0.095 4.546 4.640 0.001 0.000 0.201 116 D C 1.888 178.211 176.300 0.038 0.000 0.972 116 D CA 0.923 54.948 54.000 0.041 0.000 0.835 116 D CB -0.011 40.830 40.800 0.068 0.000 0.966 116 D HN 0.080 nan 8.370 nan 0.000 0.476 117 V N 0.354 120.270 119.914 0.004 0.000 2.407 117 V HA -0.257 3.864 4.120 0.001 0.000 0.248 117 V C 2.606 178.660 176.094 -0.068 0.000 1.055 117 V CA 1.159 63.462 62.300 0.006 0.000 1.049 117 V CB -0.382 31.446 31.823 0.009 0.000 0.662 117 V HN 0.298 nan 8.190 nan 0.000 0.455 118 C N -0.446 118.761 119.300 -0.154 0.000 2.453 118 C HA -0.104 4.357 4.460 0.001 0.000 0.277 118 C C 2.890 177.821 174.990 -0.099 0.000 1.262 118 C CA 0.694 59.617 59.018 -0.160 0.000 1.718 118 C CB -1.088 26.539 27.740 -0.188 0.000 2.031 118 C HN 0.495 nan 8.230 nan 0.000 0.480 119 R N -0.337 120.131 120.500 -0.053 0.000 2.096 119 R HA -0.177 4.164 4.340 0.001 0.000 0.240 119 R C 2.077 178.340 176.300 -0.062 0.000 1.139 119 R CA 1.777 57.854 56.100 -0.038 0.000 0.952 119 R CB -0.695 29.602 30.300 -0.006 0.000 0.854 119 R HN 0.522 nan 8.270 nan 0.000 0.436 120 F N 1.087 120.913 119.950 -0.207 0.000 2.259 120 F HA -0.014 4.514 4.527 0.001 0.000 0.298 120 F C 2.300 177.958 175.800 -0.237 0.000 1.088 120 F CA 0.782 58.617 58.000 -0.275 0.000 1.358 120 F CB -0.277 38.549 39.000 -0.289 0.000 1.040 120 F HN -0.009 nan 8.300 nan 0.000 0.505 121 A N 0.380 123.079 122.820 -0.202 0.000 1.883 121 A HA -0.231 4.090 4.320 0.001 0.000 0.217 121 A C 2.155 179.532 177.584 -0.344 0.000 1.186 121 A CA 2.007 53.831 52.037 -0.355 0.000 0.624 121 A CB -0.882 17.742 19.000 -0.626 0.000 0.822 121 A HN 0.428 nan 8.150 nan 0.000 0.444 122 N N -0.297 118.252 118.700 -0.251 0.000 2.120 122 N HA -0.106 4.635 4.740 0.001 0.000 0.188 122 N C 1.763 177.143 175.510 -0.217 0.000 1.024 122 N CA 1.849 54.812 53.050 -0.144 0.000 0.852 122 N CB -0.861 37.591 38.487 -0.059 0.000 1.003 122 N HN 0.503 nan 8.380 nan 0.000 0.424 123 T N 2.294 116.650 114.554 -0.330 0.000 2.665 123 T HA -0.079 4.272 4.350 0.001 0.000 0.268 123 T C 2.170 176.588 174.700 -0.470 0.000 1.035 123 T CA 0.872 62.714 62.100 -0.430 0.000 1.151 123 T CB -0.327 68.160 68.868 -0.634 0.000 0.862 123 T HN 0.144 nan 8.240 nan 0.000 0.438 124 L N 0.277 121.148 121.223 -0.587 0.000 1.994 124 L HA -0.081 4.260 4.340 0.001 0.000 0.208 124 L C 2.572 179.302 176.870 -0.232 0.000 1.071 124 L CA 1.271 55.857 54.840 -0.423 0.000 0.745 124 L CB -0.697 41.129 42.059 -0.389 0.000 0.892 124 L HN 0.238 nan 8.230 nan 0.000 0.431 125 L N -0.391 120.720 121.223 -0.186 0.000 2.043 125 L HA -0.271 4.070 4.340 0.001 0.000 0.212 125 L C 2.169 178.982 176.870 -0.094 0.000 1.075 125 L CA 1.213 55.992 54.840 -0.101 0.000 0.752 125 L CB -0.674 41.355 42.059 -0.050 0.000 0.891 125 L HN 0.291 nan 8.230 nan 0.000 0.432 126 D N -0.403 119.925 120.400 -0.121 0.000 2.264 126 D HA -0.121 4.520 4.640 0.001 0.000 0.208 126 D C 1.921 178.157 176.300 -0.107 0.000 0.966 126 D CA 0.870 54.808 54.000 -0.103 0.000 0.864 126 D CB 0.057 40.788 40.800 -0.114 0.000 0.933 126 D HN 0.115 nan 8.370 nan 0.000 0.499 127 L N -0.762 120.378 121.223 -0.139 0.000 2.558 127 L HA 0.240 4.581 4.340 0.001 0.000 0.225 127 L C 1.563 178.404 176.870 -0.049 0.000 1.128 127 L CA 0.773 55.536 54.840 -0.128 0.000 0.868 127 L CB -0.163 41.784 42.059 -0.187 0.000 1.006 127 L HN 0.199 nan 8.230 nan 0.000 0.454 128 G N -0.970 107.800 108.800 -0.050 0.000 2.159 128 G HA2 -0.203 3.757 3.960 0.001 0.000 0.227 128 G HA3 -0.203 3.757 3.960 0.001 0.000 0.227 128 G C 0.348 175.236 174.900 -0.020 0.000 0.986 128 G CA -0.055 45.031 45.100 -0.022 0.000 0.651 128 G HN 0.102 nan 8.290 nan 0.000 0.523 129 I N 1.024 121.571 120.570 -0.039 0.000 2.618 129 I HA 0.325 4.496 4.170 0.001 0.000 0.284 129 I C 0.805 176.908 176.117 -0.023 0.000 1.146 129 I CA 0.501 61.783 61.300 -0.031 0.000 1.425 129 I CB 0.681 38.649 38.000 -0.054 0.000 1.383 129 I HN 0.156 nan 8.210 nan 0.000 0.562 130 K N 4.259 124.656 120.400 -0.005 0.000 2.352 130 K HA 0.363 4.683 4.320 0.001 0.000 0.240 130 K C -0.237 176.371 176.600 0.013 0.000 1.017 130 K CA -1.068 55.221 56.287 0.003 0.000 0.851 130 K CB 1.782 34.286 32.500 0.006 0.000 1.261 130 K HN 0.348 nan 8.250 nan 0.000 0.451 131 K N 0.538 120.948 120.400 0.017 0.000 2.491 131 K HA -0.070 4.251 4.320 0.001 0.000 0.279 131 K C 0.572 177.186 176.600 0.024 0.000 1.026 131 K CA 1.575 57.875 56.287 0.021 0.000 1.070 131 K CB -0.173 32.340 32.500 0.021 0.000 0.887 131 K HN 0.772 nan 8.250 nan 0.000 0.481 132 G N 3.288 112.105 108.800 0.029 0.000 2.258 132 G HA2 -0.217 3.744 3.960 0.001 0.000 0.233 132 G HA3 -0.217 3.744 3.960 0.001 0.000 0.233 132 G C -0.373 174.559 174.900 0.055 0.000 1.006 132 G CA 0.132 45.256 45.100 0.041 0.000 0.620 132 G HN 0.725 nan 8.290 nan 0.000 0.511 133 D N 0.828 121.254 120.400 0.042 0.000 2.414 133 D HA 0.423 5.063 4.640 0.001 0.000 0.242 133 D C 0.745 177.069 176.300 0.040 0.000 1.129 133 D CA 0.104 54.130 54.000 0.043 0.000 0.885 133 D CB 1.644 42.461 40.800 0.028 0.000 1.198 133 D HN 0.241 nan 8.370 nan 0.000 0.437 134 V N 2.379 122.310 119.914 0.029 0.000 2.465 134 V HA 0.233 4.354 4.120 0.001 0.000 0.279 134 V C 0.368 176.480 176.094 0.030 0.000 1.045 134 V CA -0.630 61.673 62.300 0.005 0.000 0.938 134 V CB 1.605 33.378 31.823 -0.084 0.000 0.986 134 V HN 0.214 nan 8.190 nan 0.000 0.467 135 V N 4.332 124.288 119.914 0.070 0.000 2.378 135 V HA 0.636 4.756 4.120 0.001 0.000 0.288 135 V C 0.464 176.628 176.094 0.116 0.000 1.016 135 V CA -0.671 61.685 62.300 0.093 0.000 0.840 135 V CB 1.586 33.483 31.823 0.124 0.000 0.994 135 V HN 0.987 nan 8.190 nan 0.000 0.431 136 A N 6.755 129.624 122.820 0.082 0.000 2.362 136 A HA 0.750 5.071 4.320 0.001 0.000 0.276 136 A C -0.349 177.302 177.584 0.111 0.000 1.153 136 A CA -0.114 51.973 52.037 0.084 0.000 0.813 136 A CB -0.032 18.981 19.000 0.022 0.000 1.081 136 A HN 0.794 nan 8.150 nan 0.000 0.507 137 I N 2.681 123.327 120.570 0.127 0.000 2.382 137 I HA 0.206 4.377 4.170 0.001 0.000 0.286 137 I C -1.137 175.067 176.117 0.145 0.000 1.002 137 I CA -0.266 61.099 61.300 0.109 0.000 1.135 137 I CB 1.343 39.366 38.000 0.037 0.000 1.288 137 I HN 0.714 nan 8.210 nan 0.000 0.448 138 Y N 8.371 128.654 120.300 -0.028 0.000 2.863 138 Y HA 0.570 5.121 4.550 0.001 0.000 0.348 138 Y C -0.990 174.855 175.900 -0.091 0.000 1.028 138 Y CA -0.799 57.265 58.100 -0.059 0.000 1.213 138 Y CB 0.529 38.959 38.460 -0.050 0.000 1.120 138 Y HN 0.408 nan 8.280 nan 0.000 0.598 139 M N 5.926 125.370 119.600 -0.259 0.000 2.572 139 M HA 0.492 4.973 4.480 0.001 0.000 0.299 139 M C -2.601 173.507 176.300 -0.321 0.000 1.205 139 M CA -1.867 53.268 55.300 -0.276 0.000 0.876 139 M CB 2.280 34.758 32.600 -0.203 0.000 1.728 139 M HN 0.324 nan 8.290 nan 0.000 0.458 140 P HA 0.351 nan 4.420 nan 0.000 0.282 140 P C -0.549 176.650 177.300 -0.169 0.000 1.287 140 P CA -0.519 62.435 63.100 -0.243 0.000 0.792 140 P CB 0.604 32.175 31.700 -0.215 0.000 1.163 141 M N 0.952 120.496 119.600 -0.093 0.000 3.237 141 M HA 0.151 4.632 4.480 0.001 0.000 0.266 141 M C -0.127 176.240 176.300 0.113 0.000 1.456 141 M CA -0.087 55.212 55.300 -0.002 0.000 1.593 141 M CB -1.405 31.213 32.600 0.030 0.000 1.129 141 M HN 0.125 nan 8.290 nan 0.000 0.547 142 V N 0.574 120.429 119.914 -0.098 0.000 3.001 142 V HA 0.580 4.701 4.120 0.001 0.000 0.314 142 V C -2.385 173.448 176.094 -0.436 0.000 1.099 142 V CA -1.806 60.273 62.300 -0.369 0.000 0.989 142 V CB 1.660 33.178 31.823 -0.508 0.000 1.040 142 V HN 0.216 nan 8.190 nan 0.000 0.434 143 P HA -0.061 nan 4.420 nan 0.000 0.219 143 P C 1.166 178.237 177.300 -0.381 0.000 1.146 143 P CA 1.308 64.167 63.100 -0.402 0.000 0.808 143 P CB 0.246 31.693 31.700 -0.422 0.000 0.779 144 E N -0.300 119.578 120.200 -0.537 0.000 2.204 144 E HA -0.131 4.219 4.350 0.001 0.000 0.195 144 E C 2.087 178.394 176.600 -0.488 0.000 0.990 144 E CA 1.312 57.310 56.400 -0.670 0.000 0.821 144 E CB -0.956 27.958 29.700 -1.311 0.000 0.750 144 E HN 0.188 nan 8.360 nan 0.000 0.477 145 A N 0.974 123.559 122.820 -0.392 0.000 1.902 145 A HA -0.079 4.242 4.320 0.001 0.000 0.217 145 A C 2.360 179.798 177.584 -0.243 0.000 1.181 145 A CA 1.689 53.559 52.037 -0.278 0.000 0.623 145 A CB -0.754 18.099 19.000 -0.246 0.000 0.818 145 A HN 0.304 nan 8.150 nan 0.000 0.443 146 A N -0.515 122.165 122.820 -0.233 0.000 1.902 146 A HA 0.015 4.336 4.320 0.001 0.000 0.217 146 A C 2.222 179.726 177.584 -0.134 0.000 1.181 146 A CA 1.731 53.645 52.037 -0.205 0.000 0.623 146 A CB -0.935 17.958 19.000 -0.179 0.000 0.818 146 A HN 0.378 nan 8.150 nan 0.000 0.443 147 V N -0.011 119.835 119.914 -0.114 0.000 2.287 147 V HA -0.282 3.839 4.120 0.001 0.000 0.248 147 V C 3.073 179.163 176.094 -0.006 0.000 1.053 147 V CA 2.036 64.315 62.300 -0.035 0.000 1.027 147 V CB -1.346 30.486 31.823 0.015 0.000 0.646 147 V HN 0.623 nan 8.190 nan 0.000 0.447 148 A N -0.521 122.266 122.820 -0.055 0.000 1.883 148 A HA -0.276 4.045 4.320 0.001 0.000 0.217 148 A C 2.252 179.889 177.584 0.088 0.000 1.186 148 A CA 2.478 54.532 52.037 0.030 0.000 0.624 148 A CB -0.517 18.503 19.000 0.033 0.000 0.822 148 A HN 0.503 nan 8.150 nan 0.000 0.444 149 M N -0.781 118.774 119.600 -0.075 0.000 2.067 149 M HA -0.124 4.357 4.480 0.001 0.000 0.260 149 M C 2.182 178.570 176.300 0.147 0.000 1.069 149 M CA 1.551 56.756 55.300 -0.158 0.000 1.117 149 M CB -0.556 31.759 32.600 -0.475 0.000 1.334 149 M HN 0.366 nan 8.290 nan 0.000 0.407 150 L N -0.248 121.053 121.223 0.130 0.000 2.083 150 L HA -0.179 4.161 4.340 0.001 0.000 0.209 150 L C 2.817 179.773 176.870 0.144 0.000 1.083 150 L CA 1.198 56.151 54.840 0.187 0.000 0.752 150 L CB -0.887 41.254 42.059 0.138 0.000 0.899 150 L HN 0.317 nan 8.230 nan 0.000 0.433 151 A N -0.959 121.946 122.820 0.142 0.000 1.898 151 A HA -0.213 4.107 4.320 0.001 0.000 0.216 151 A C 2.418 180.058 177.584 0.092 0.000 1.181 151 A CA 1.748 53.852 52.037 0.112 0.000 0.620 151 A CB -1.137 18.013 19.000 0.250 0.000 0.819 151 A HN 0.526 nan 8.150 nan 0.000 0.442 152 C N -1.016 118.385 119.300 0.168 0.000 2.432 152 C HA 0.016 4.477 4.460 0.001 0.000 0.277 152 C C 3.335 178.405 174.990 0.132 0.000 1.249 152 C CA 0.883 59.997 59.018 0.160 0.000 1.725 152 C CB -1.354 26.542 27.740 0.260 0.000 2.028 152 C HN 0.707 nan 8.230 nan 0.000 0.477 153 A N 0.237 123.162 122.820 0.175 0.000 1.908 153 A HA -0.238 4.083 4.320 0.001 0.000 0.218 153 A C 2.256 179.871 177.584 0.053 0.000 1.181 153 A CA 1.879 53.975 52.037 0.097 0.000 0.627 153 A CB -0.682 18.369 19.000 0.085 0.000 0.818 153 A HN 0.658 nan 8.150 nan 0.000 0.445 154 R N 0.155 120.688 120.500 0.055 0.000 2.091 154 R HA -0.140 4.201 4.340 0.001 0.000 0.238 154 R C 1.914 178.248 176.300 0.057 0.000 1.136 154 R CA 1.989 58.114 56.100 0.043 0.000 0.959 154 R CB -0.433 29.864 30.300 -0.004 0.000 0.856 154 R HN 0.747 nan 8.270 nan 0.000 0.437 155 I N -3.419 117.165 120.570 0.023 0.000 3.793 155 I HA 0.323 4.493 4.170 0.001 0.000 0.315 155 I C 0.797 176.938 176.117 0.040 0.000 1.275 155 I CA 0.682 62.007 61.300 0.043 0.000 1.214 155 I CB 0.463 38.460 38.000 -0.006 0.000 1.018 155 I HN 0.306 nan 8.210 nan 0.000 0.439 156 G N 1.674 110.495 108.800 0.035 0.000 2.143 156 G HA2 -0.248 3.713 3.960 0.001 0.000 0.248 156 G HA3 -0.248 3.713 3.960 0.001 0.000 0.248 156 G C 0.429 175.344 174.900 0.026 0.000 0.991 156 G CA 0.134 45.249 45.100 0.025 0.000 0.689 156 G HN 0.942 nan 8.290 nan 0.000 0.522 157 A N -0.940 121.901 122.820 0.035 0.000 2.346 157 A HA 0.695 5.016 4.320 0.001 0.000 0.252 157 A C 0.487 178.098 177.584 0.044 0.000 1.089 157 A CA 0.450 52.512 52.037 0.042 0.000 0.797 157 A CB 1.002 20.032 19.000 0.050 0.000 1.047 157 A HN 1.187 nan 8.150 nan 0.000 0.494 158 V N 2.820 122.758 119.914 0.040 0.000 2.326 158 V HA 0.285 4.406 4.120 0.001 0.000 0.281 158 V C -0.244 175.881 176.094 0.052 0.000 1.015 158 V CA -0.561 61.741 62.300 0.004 0.000 0.823 158 V CB 0.412 32.232 31.823 -0.005 0.000 1.009 158 V HN 1.043 nan 8.190 nan 0.000 0.436 159 H N 1.913 121.069 119.070 0.143 0.000 2.629 159 H HA 0.642 5.198 4.556 0.001 0.000 0.357 159 H C 0.030 175.468 175.328 0.184 0.000 1.121 159 H CA -0.555 55.579 56.048 0.144 0.000 1.406 159 H CB 1.234 31.075 29.762 0.131 0.000 1.456 159 H HN 0.500 nan 8.280 nan 0.000 0.579 160 S N 3.270 119.178 115.700 0.345 0.000 2.664 160 S HA 0.342 4.813 4.470 0.001 0.000 0.262 160 S C -1.154 173.629 174.600 0.305 0.000 1.229 160 S CA -0.843 57.549 58.200 0.320 0.000 1.151 160 S CB -0.376 62.947 63.200 0.205 0.000 1.054 160 S HN 0.562 nan 8.310 nan 0.000 0.483 161 V N 6.491 126.623 119.914 0.364 0.000 2.488 161 V HA 0.414 4.535 4.120 0.001 0.000 0.277 161 V C 0.094 176.324 176.094 0.226 0.000 1.046 161 V CA -0.206 62.233 62.300 0.231 0.000 0.986 161 V CB 0.854 32.783 31.823 0.177 0.000 0.989 161 V HN 0.770 nan 8.190 nan 0.000 0.475 162 I N 5.546 126.238 120.570 0.203 0.000 2.355 162 I HA 0.305 4.476 4.170 0.001 0.000 0.288 162 I C -0.089 176.203 176.117 0.292 0.000 0.999 162 I CA -0.559 60.898 61.300 0.261 0.000 1.163 162 I CB 1.232 39.352 38.000 0.202 0.000 1.316 162 I HN 0.550 nan 8.210 nan 0.000 0.454 163 F N 5.592 125.553 119.950 0.017 0.000 2.623 163 F HA 0.101 4.629 4.527 0.002 0.000 0.383 163 F C 1.483 177.251 175.800 -0.053 0.000 1.077 163 F CA -0.015 57.795 58.000 -0.317 0.000 1.268 163 F CB 0.927 39.333 39.000 -0.990 0.000 1.053 163 F HN 0.616 nan 8.300 nan 0.000 0.571 164 G N 3.967 112.240 108.800 -0.879 0.000 2.498 164 G HA2 -0.132 3.829 3.960 0.001 0.000 0.219 164 G HA3 -0.132 3.829 3.960 0.001 0.000 0.219 164 G C 1.425 175.817 174.900 -0.847 0.000 1.119 164 G CA 0.488 45.029 45.100 -0.932 0.000 0.766 164 G HN 1.017 nan 8.290 nan 0.000 0.552 165 G N -0.429 107.493 108.800 -1.462 0.000 2.985 165 G HA2 0.282 4.242 3.960 0.001 0.000 0.209 165 G HA3 0.282 4.242 3.960 0.001 0.000 0.209 165 G C 0.168 174.914 174.900 -0.257 0.000 1.165 165 G CA -0.726 43.910 45.100 -0.773 0.000 0.776 165 G HN 0.312 nan 8.290 nan 0.000 0.541 166 F N 2.099 122.054 119.950 0.008 0.000 2.429 166 F HA 0.291 4.819 4.527 0.001 0.000 0.348 166 F C 1.520 177.348 175.800 0.046 0.000 1.109 166 F CA -0.684 57.378 58.000 0.103 0.000 1.232 166 F CB 1.122 40.191 39.000 0.114 0.000 1.157 166 F HN 0.050 nan 8.300 nan 0.000 0.564 167 S N 3.144 118.985 115.700 0.235 0.000 2.589 167 S HA 0.168 4.639 4.470 0.001 0.000 0.265 167 S C -1.914 172.674 174.600 -0.021 0.000 1.342 167 S CA -1.092 57.152 58.200 0.073 0.000 1.005 167 S CB 1.078 64.292 63.200 0.023 0.000 0.909 167 S HN 0.370 nan 8.310 nan 0.000 0.555 168 P HA -0.156 nan 4.420 nan 0.000 0.216 168 P C 1.482 178.691 177.300 -0.152 0.000 1.157 168 P CA 1.610 64.632 63.100 -0.130 0.000 0.880 168 P CB -0.005 31.636 31.700 -0.098 0.000 0.791 169 E N -0.374 119.747 120.200 -0.132 0.000 2.085 169 E HA -0.178 4.173 4.350 0.001 0.000 0.194 169 E C 1.953 178.456 176.600 -0.163 0.000 0.994 169 E CA 1.624 57.937 56.400 -0.144 0.000 0.801 169 E CB -1.040 28.569 29.700 -0.153 0.000 0.743 169 E HN 0.092 nan 8.360 nan 0.000 0.453 170 A N -0.231 122.499 122.820 -0.150 0.000 1.930 170 A HA -0.087 4.234 4.320 0.001 0.000 0.217 170 A C 2.451 179.832 177.584 -0.339 0.000 1.175 170 A CA 1.372 53.264 52.037 -0.241 0.000 0.627 170 A CB -0.560 18.325 19.000 -0.193 0.000 0.815 170 A HN 0.197 nan 8.150 nan 0.000 0.443 171 V N -0.067 119.668 119.914 -0.299 0.000 2.307 171 V HA -0.242 3.879 4.120 0.001 0.000 0.245 171 V C 3.076 178.982 176.094 -0.313 0.000 1.045 171 V CA 1.883 63.958 62.300 -0.375 0.000 1.024 171 V CB -1.245 30.249 31.823 -0.548 0.000 0.651 171 V HN 0.605 nan 8.190 nan 0.000 0.449 172 A N 0.605 123.274 122.820 -0.252 0.000 1.892 172 A HA -0.169 4.151 4.320 0.001 0.000 0.218 172 A C 2.445 179.905 177.584 -0.207 0.000 1.188 172 A CA 2.202 54.118 52.037 -0.201 0.000 0.631 172 A CB -1.398 17.508 19.000 -0.157 0.000 0.822 172 A HN 0.541 nan 8.150 nan 0.000 0.447 173 G N -0.667 107.996 108.800 -0.227 0.000 2.476 173 G HA2 -0.272 3.689 3.960 0.001 0.000 0.218 173 G HA3 -0.272 3.689 3.960 0.001 0.000 0.218 173 G C 1.777 176.474 174.900 -0.338 0.000 1.164 173 G CA 1.104 46.064 45.100 -0.234 0.000 0.768 173 G HN 0.590 nan 8.290 nan 0.000 0.560 174 R N -0.229 119.980 120.500 -0.484 0.000 2.075 174 R HA 0.114 4.455 4.340 0.001 0.000 0.232 174 R C 2.607 178.655 176.300 -0.420 0.000 1.126 174 R CA 0.955 56.607 56.100 -0.746 0.000 0.963 174 R CB -0.348 29.511 30.300 -0.734 0.000 0.858 174 R HN 0.383 nan 8.270 nan 0.000 0.435 175 I N 0.454 120.862 120.570 -0.269 0.000 2.226 175 I HA -0.289 3.882 4.170 0.001 0.000 0.245 175 I C 2.125 178.174 176.117 -0.113 0.000 1.100 175 I CA 1.373 62.576 61.300 -0.161 0.000 1.374 175 I CB -0.187 37.724 38.000 -0.147 0.000 1.057 175 I HN 0.130 nan 8.210 nan 0.000 0.413 176 I N 0.617 121.115 120.570 -0.119 0.000 2.142 176 I HA -0.336 3.835 4.170 0.001 0.000 0.240 176 I C 2.242 178.354 176.117 -0.008 0.000 1.078 176 I CA 1.917 63.179 61.300 -0.062 0.000 1.343 176 I CB -0.433 37.528 38.000 -0.066 0.000 1.046 176 I HN 0.236 nan 8.210 nan 0.000 0.405 177 D N 0.446 120.835 120.400 -0.019 0.000 2.123 177 D HA -0.199 4.442 4.640 0.001 0.000 0.196 177 D C 2.130 178.572 176.300 0.236 0.000 0.992 177 D CA 1.703 55.776 54.000 0.122 0.000 0.833 177 D CB 0.102 40.996 40.800 0.155 0.000 0.954 177 D HN 0.338 nan 8.370 nan 0.000 0.455 178 S N -1.584 114.165 115.700 0.083 0.000 2.558 178 S HA 0.090 4.561 4.470 0.001 0.000 0.217 178 S C 0.835 175.431 174.600 -0.007 0.000 0.975 178 S CA 0.295 58.423 58.200 -0.120 0.000 0.912 178 S CB 0.130 63.215 63.200 -0.192 0.000 0.776 178 S HN 0.091 nan 8.310 nan 0.000 0.526 179 S N 1.539 117.271 115.700 0.053 0.000 3.559 179 S HA -0.141 4.330 4.470 0.001 0.000 0.369 179 S C 0.147 174.753 174.600 0.009 0.000 0.987 179 S CA 0.529 58.755 58.200 0.044 0.000 1.187 179 S CB -2.196 61.062 63.200 0.097 0.000 0.914 179 S HN 0.734 nan 8.310 nan 0.000 0.480 180 S N 0.742 116.428 115.700 -0.023 0.000 2.546 180 S HA 0.109 4.580 4.470 0.001 0.000 0.290 180 S C 1.423 176.013 174.600 -0.015 0.000 1.290 180 S CA -0.335 57.853 58.200 -0.020 0.000 1.069 180 S CB 0.686 63.870 63.200 -0.027 0.000 0.846 180 S HN 0.498 nan 8.310 nan 0.000 0.495 181 R N 0.478 120.977 120.500 -0.002 0.000 2.280 181 R HA 0.270 4.611 4.340 0.001 0.000 0.195 181 R C -0.261 176.037 176.300 -0.004 0.000 0.935 181 R CA 0.281 56.377 56.100 -0.006 0.000 1.033 181 R CB 0.081 30.384 30.300 0.006 0.000 0.964 181 R HN 0.484 nan 8.270 nan 0.000 0.489 182 L N -0.390 120.839 121.223 0.010 0.000 2.545 182 L HA 0.366 4.707 4.340 0.001 0.000 0.258 182 L C -1.621 175.270 176.870 0.035 0.000 0.942 182 L CA -0.753 54.106 54.840 0.031 0.000 0.855 182 L CB 2.378 44.467 42.059 0.049 0.000 1.374 182 L HN -0.341 nan 8.230 nan 0.000 0.411 183 V N 5.299 125.233 119.914 0.034 0.000 2.495 183 V HA 0.568 4.689 4.120 0.001 0.000 0.298 183 V C -0.198 175.952 176.094 0.093 0.000 1.031 183 V CA -0.383 61.945 62.300 0.047 0.000 0.871 183 V CB 1.712 33.536 31.823 0.002 0.000 0.988 183 V HN 0.595 nan 8.190 nan 0.000 0.432 184 I N 3.839 124.490 120.570 0.136 0.000 2.406 184 I HA 0.650 4.820 4.170 0.001 0.000 0.290 184 I C 0.101 176.304 176.117 0.142 0.000 0.999 184 I CA 0.096 61.508 61.300 0.187 0.000 1.124 184 I CB 1.985 40.144 38.000 0.265 0.000 1.289 184 I HN 0.711 nan 8.210 nan 0.000 0.441 185 T N 3.873 118.501 114.554 0.124 0.000 2.645 185 T HA 0.851 5.201 4.350 0.001 0.000 0.300 185 T C -1.675 173.038 174.700 0.022 0.000 1.210 185 T CA -0.410 61.729 62.100 0.065 0.000 1.034 185 T CB 1.838 70.783 68.868 0.128 0.000 1.537 185 T HN 0.662 nan 8.240 nan 0.000 0.492 186 A N 0.511 123.315 122.820 -0.027 0.000 2.423 186 A HA 0.656 4.977 4.320 0.001 0.000 0.304 186 A C 0.733 178.336 177.584 0.033 0.000 1.104 186 A CA 0.046 52.073 52.037 -0.015 0.000 0.757 186 A CB 1.188 20.122 19.000 -0.112 0.000 1.313 186 A HN 0.902 nan 8.150 nan 0.000 0.423 187 D N 0.292 120.755 120.400 0.105 0.000 2.106 187 D HA -0.111 4.530 4.640 0.001 0.000 0.191 187 D C 0.250 176.575 176.300 0.042 0.000 0.997 187 D CA 1.949 56.025 54.000 0.126 0.000 0.834 187 D CB -0.009 40.923 40.800 0.221 0.000 0.956 187 D HN 0.655 nan 8.370 nan 0.000 0.448 188 E N -1.655 118.541 120.200 -0.007 0.000 2.392 188 E HA 0.598 4.949 4.350 0.001 0.000 0.279 188 E C -0.662 175.878 176.600 -0.101 0.000 0.964 188 E CA -0.836 55.532 56.400 -0.054 0.000 0.777 188 E CB 2.227 31.905 29.700 -0.037 0.000 1.249 188 E HN 0.195 nan 8.360 nan 0.000 0.449 189 G N 0.215 108.930 108.800 -0.141 0.000 2.437 189 G HA2 0.525 4.486 3.960 0.001 0.000 0.319 189 G HA3 0.525 4.486 3.960 0.001 0.000 0.319 189 G C -0.850 173.969 174.900 -0.135 0.000 1.158 189 G CA -0.352 44.652 45.100 -0.160 0.000 0.899 189 G HN 0.193 nan 8.290 nan 0.000 0.502 190 V N 1.153 120.992 119.914 -0.125 0.000 2.444 190 V HA 0.653 4.774 4.120 0.001 0.000 0.294 190 V C 0.047 176.031 176.094 -0.184 0.000 1.022 190 V CA -0.705 61.514 62.300 -0.135 0.000 0.850 190 V CB 1.423 33.197 31.823 -0.082 0.000 0.992 190 V HN 0.822 nan 8.190 nan 0.000 0.426 191 R N 3.780 124.132 120.500 -0.246 0.000 2.522 191 R HA 0.621 4.962 4.340 0.001 0.000 0.283 191 R C 0.224 176.268 176.300 -0.427 0.000 1.074 191 R CA 0.116 56.044 56.100 -0.287 0.000 0.925 191 R CB 1.723 31.892 30.300 -0.218 0.000 1.205 191 R HN 1.176 nan 8.270 nan 0.000 0.436 192 A N 2.615 125.094 122.820 -0.568 0.000 2.704 192 A HA -0.181 4.139 4.320 0.001 0.000 0.299 192 A C 1.125 177.643 177.584 -1.777 0.000 1.507 192 A CA 1.763 53.123 52.037 -1.127 0.000 0.776 192 A CB -2.124 16.528 19.000 -0.579 0.000 1.027 192 A HN 1.860 nan 8.150 nan 0.000 0.475 193 G N -3.096 104.740 108.800 -1.607 0.000 2.205 193 G HA2 0.165 4.126 3.960 0.001 0.000 0.261 193 G HA3 0.165 4.126 3.960 0.001 0.000 0.261 193 G C 0.755 175.410 174.900 -0.409 0.000 0.980 193 G CA 1.346 45.902 45.100 -0.906 0.000 0.632 193 G HN 2.590 nan 8.290 nan 0.000 0.533 194 A N -0.210 122.372 122.820 -0.396 0.000 2.320 194 A HA 0.859 5.180 4.320 0.001 0.000 0.334 194 A C 0.293 177.766 177.584 -0.184 0.000 1.147 194 A CA 0.515 52.414 52.037 -0.230 0.000 0.820 194 A CB 1.378 20.256 19.000 -0.204 0.000 1.218 194 A HN 0.890 nan 8.150 nan 0.000 0.482 195 S N 1.078 116.702 115.700 -0.127 0.000 2.525 195 S HA 0.533 5.004 4.470 0.001 0.000 0.278 195 S C -0.304 174.233 174.600 -0.105 0.000 1.234 195 S CA -0.363 57.773 58.200 -0.106 0.000 1.058 195 S CB 0.492 63.650 63.200 -0.070 0.000 0.983 195 S HN 0.462 nan 8.310 nan 0.000 0.495 196 I N 4.890 125.388 120.570 -0.120 0.000 2.354 196 I HA 0.333 4.504 4.170 0.001 0.000 0.292 196 I C -2.262 173.795 176.117 -0.101 0.000 0.989 196 I CA -3.204 58.020 61.300 -0.127 0.000 1.188 196 I CB 1.101 38.987 38.000 -0.190 0.000 1.342 196 I HN 0.310 nan 8.210 nan 0.000 0.457 197 P HA 0.253 nan 4.420 nan 0.000 0.231 197 P C 0.863 178.161 177.300 -0.004 0.000 1.811 197 P CA -0.148 62.937 63.100 -0.025 0.000 1.051 197 P CB 0.362 32.058 31.700 -0.007 0.000 1.951 198 L N 1.149 122.348 121.223 -0.041 0.000 2.005 198 L HA -0.193 4.148 4.340 0.001 0.000 0.207 198 L C 2.564 179.506 176.870 0.121 0.000 1.072 198 L CA 1.683 56.511 54.840 -0.019 0.000 0.744 198 L CB -0.717 41.210 42.059 -0.219 0.000 0.895 198 L HN 0.162 nan 8.230 nan 0.000 0.433 199 K N 0.969 121.408 120.400 0.066 0.000 2.063 199 K HA -0.231 4.090 4.320 0.001 0.000 0.208 199 K C 2.085 178.712 176.600 0.045 0.000 1.048 199 K CA 1.662 57.986 56.287 0.063 0.000 0.928 199 K CB -0.232 32.305 32.500 0.062 0.000 0.713 199 K HN 0.024 nan 8.250 nan 0.000 0.442 200 K N -0.000 120.427 120.400 0.045 0.000 2.063 200 K HA -0.168 4.153 4.320 0.001 0.000 0.208 200 K C 1.636 178.247 176.600 0.018 0.000 1.048 200 K CA 1.762 58.065 56.287 0.027 0.000 0.928 200 K CB -0.171 32.345 32.500 0.026 0.000 0.713 200 K HN 0.185 nan 8.250 nan 0.000 0.442 201 N N 0.384 119.116 118.700 0.054 0.000 2.120 201 N HA -0.138 4.603 4.740 0.001 0.000 0.188 201 N C 1.746 177.232 175.510 -0.039 0.000 1.024 201 N CA 1.068 54.142 53.050 0.041 0.000 0.852 201 N CB -0.353 38.231 38.487 0.163 0.000 1.003 201 N HN -0.009 nan 8.380 nan 0.000 0.424 202 V N 1.563 121.473 119.914 -0.007 0.000 2.295 202 V HA -0.213 3.908 4.120 0.001 0.000 0.246 202 V C 1.682 177.722 176.094 -0.090 0.000 1.049 202 V CA 1.660 63.912 62.300 -0.081 0.000 1.024 202 V CB -0.549 31.264 31.823 -0.018 0.000 0.648 202 V HN 0.194 nan 8.190 nan 0.000 0.447 203 D N 0.277 120.638 120.400 -0.065 0.000 2.126 203 D HA -0.197 4.444 4.640 0.001 0.000 0.190 203 D C 1.930 178.187 176.300 -0.072 0.000 1.001 203 D CA 1.750 55.706 54.000 -0.073 0.000 0.841 203 D CB -0.417 40.353 40.800 -0.050 0.000 0.949 203 D HN 0.426 nan 8.370 nan 0.000 0.446 204 D N -0.016 120.346 120.400 -0.063 0.000 2.144 204 D HA -0.068 4.573 4.640 0.001 0.000 0.199 204 D C 2.000 178.247 176.300 -0.088 0.000 0.984 204 D CA 1.235 55.196 54.000 -0.066 0.000 0.834 204 D CB -0.373 40.394 40.800 -0.055 0.000 0.955 204 D HN 0.168 nan 8.370 nan 0.000 0.465 205 A N 0.839 123.591 122.820 -0.113 0.000 1.902 205 A HA -0.119 4.201 4.320 0.001 0.000 0.217 205 A C 2.282 179.793 177.584 -0.121 0.000 1.181 205 A CA 0.910 52.864 52.037 -0.138 0.000 0.623 205 A CB -0.779 18.103 19.000 -0.196 0.000 0.818 205 A HN 0.233 nan 8.150 nan 0.000 0.443 206 L N -1.188 119.966 121.223 -0.115 0.000 2.465 206 L HA -0.091 4.250 4.340 0.001 0.000 0.224 206 L C 2.123 178.939 176.870 -0.089 0.000 1.145 206 L CA 0.990 55.766 54.840 -0.106 0.000 0.834 206 L CB -0.366 41.626 42.059 -0.112 0.000 0.944 206 L HN 0.382 nan 8.230 nan 0.000 0.451 207 K N -0.282 120.070 120.400 -0.081 0.000 2.366 207 K HA -0.036 4.285 4.320 0.001 0.000 0.198 207 K C 0.911 177.474 176.600 -0.061 0.000 1.044 207 K CA -0.163 56.085 56.287 -0.066 0.000 0.973 207 K CB -0.029 32.437 32.500 -0.057 0.000 0.767 207 K HN 0.162 nan 8.250 nan 0.000 0.475 208 N N 2.179 120.837 118.700 -0.070 0.000 2.411 208 N HA -0.049 4.692 4.740 0.001 0.000 0.265 208 N C -1.807 173.669 175.510 -0.057 0.000 1.266 208 N CA -0.865 52.146 53.050 -0.065 0.000 0.889 208 N CB 1.060 39.500 38.487 -0.078 0.000 1.069 208 N HN -0.033 nan 8.380 nan 0.000 0.476 209 P HA -0.062 nan 4.420 nan 0.000 0.226 209 P C 0.328 177.605 177.300 -0.038 0.000 1.153 209 P CA 0.912 63.989 63.100 -0.039 0.000 0.777 209 P CB 0.387 32.069 31.700 -0.029 0.000 0.794 210 N N -0.273 118.402 118.700 -0.041 0.000 2.463 210 N HA 0.011 4.752 4.740 0.001 0.000 0.181 210 N C 0.272 175.756 175.510 -0.045 0.000 1.078 210 N CA 0.283 53.310 53.050 -0.037 0.000 0.902 210 N CB 0.162 38.629 38.487 -0.034 0.000 0.970 210 N HN 0.074 nan 8.380 nan 0.000 0.451 211 V N 2.123 122.003 119.914 -0.057 0.000 2.439 211 V HA 0.054 4.175 4.120 0.001 0.000 0.271 211 V C 1.314 177.374 176.094 -0.057 0.000 1.040 211 V CA 0.518 62.779 62.300 -0.064 0.000 1.002 211 V CB 0.832 32.606 31.823 -0.082 0.000 1.000 211 V HN 0.324 nan 8.190 nan 0.000 0.477 212 T N -1.153 113.371 114.554 -0.049 0.000 3.041 212 T HA 0.018 4.369 4.350 0.001 0.000 0.276 212 T C 1.306 175.978 174.700 -0.046 0.000 0.948 212 T CA 0.462 62.535 62.100 -0.045 0.000 0.885 212 T CB 0.295 69.144 68.868 -0.032 0.000 1.175 212 T HN 0.638 nan 8.240 nan 0.000 0.529 213 S N 0.525 116.198 115.700 -0.046 0.000 2.511 213 S HA 0.341 4.812 4.470 0.001 0.000 0.214 213 S C 0.468 175.035 174.600 -0.056 0.000 0.997 213 S CA -0.305 57.871 58.200 -0.039 0.000 0.908 213 S CB -0.171 63.017 63.200 -0.020 0.000 0.803 213 S HN 0.279 nan 8.310 nan 0.000 0.504 214 V N 2.825 122.695 119.914 -0.074 0.000 2.455 214 V HA 0.279 4.400 4.120 0.001 0.000 0.273 214 V C 0.798 176.812 176.094 -0.134 0.000 1.045 214 V CA 0.020 62.267 62.300 -0.087 0.000 0.976 214 V CB 0.946 32.715 31.823 -0.089 0.000 0.993 214 V HN 0.421 nan 8.190 nan 0.000 0.475 215 E N 2.503 122.608 120.200 -0.159 0.000 2.201 215 E HA 0.157 4.508 4.350 0.001 0.000 0.193 215 E C 0.085 176.331 176.600 -0.591 0.000 0.957 215 E CA 0.435 56.635 56.400 -0.333 0.000 0.858 215 E CB 0.416 29.949 29.700 -0.278 0.000 0.816 215 E HN 0.720 nan 8.360 nan 0.000 0.475 216 H N -1.017 118.002 119.070 -0.085 0.000 2.980 216 H HA 0.400 4.957 4.556 0.001 0.000 0.367 216 H C -1.191 174.072 175.328 -0.108 0.000 1.206 216 H CA -0.721 55.262 56.048 -0.108 0.000 1.126 216 H CB 1.907 31.614 29.762 -0.091 0.000 1.838 216 H HN -0.201 nan 8.280 nan 0.000 0.552 217 V N 3.395 123.303 119.914 -0.009 0.000 2.444 217 V HA 0.312 4.433 4.120 0.001 0.000 0.294 217 V C 0.307 176.368 176.094 -0.055 0.000 1.022 217 V CA -0.549 61.715 62.300 -0.060 0.000 0.850 217 V CB 1.545 33.273 31.823 -0.159 0.000 0.992 217 V HN 0.481 nan 8.190 nan 0.000 0.426 218 I N 5.032 125.633 120.570 0.051 0.000 2.331 218 I HA 0.452 4.623 4.170 0.001 0.000 0.292 218 I C -0.511 175.720 176.117 0.189 0.000 0.998 218 I CA -0.521 60.861 61.300 0.136 0.000 1.267 218 I CB 1.738 39.881 38.000 0.238 0.000 1.386 218 I HN 0.302 nan 8.210 nan 0.000 0.476 219 V N 7.157 127.204 119.914 0.222 0.000 2.444 219 V HA 0.290 4.411 4.120 0.001 0.000 0.294 219 V C -0.255 176.102 176.094 0.438 0.000 1.022 219 V CA -0.761 61.679 62.300 0.234 0.000 0.850 219 V CB 1.775 33.644 31.823 0.077 0.000 0.992 219 V HN 0.421 nan 8.190 nan 0.000 0.426 220 L N 4.720 126.113 121.223 0.283 0.000 2.319 220 L HA 0.384 4.724 4.340 0.001 0.000 0.280 220 L C 0.542 177.547 176.870 0.225 0.000 1.099 220 L CA 0.190 55.124 54.840 0.157 0.000 0.828 220 L CB 0.633 42.532 42.059 -0.268 0.000 1.150 220 L HN 0.667 nan 8.230 nan 0.000 0.442 221 K N 4.156 124.706 120.400 0.250 0.000 2.110 221 K HA 0.054 4.375 4.320 0.001 0.000 0.260 221 K C 0.880 177.453 176.600 -0.045 0.000 1.126 221 K CA -0.152 56.195 56.287 0.100 0.000 1.005 221 K CB 0.189 32.561 32.500 -0.214 0.000 1.336 221 K HN 0.679 nan 8.250 nan 0.000 0.369 222 R N 1.509 121.986 120.500 -0.038 0.000 2.105 222 R HA -0.020 4.321 4.340 0.001 0.000 0.214 222 R C 1.608 177.870 176.300 -0.064 0.000 1.091 222 R CA 2.161 58.203 56.100 -0.096 0.000 1.007 222 R CB -0.112 30.119 30.300 -0.116 0.000 0.912 222 R HN 0.582 nan 8.270 nan 0.000 0.450 223 T N -4.662 109.872 114.554 -0.034 0.000 2.978 223 T HA 0.275 4.626 4.350 0.001 0.000 0.248 223 T C 1.295 175.977 174.700 -0.030 0.000 1.018 223 T CA 0.310 62.394 62.100 -0.027 0.000 1.026 223 T CB 0.356 69.213 68.868 -0.018 0.000 1.032 223 T HN 0.360 nan 8.240 nan 0.000 0.485 224 G N 1.358 110.141 108.800 -0.028 0.000 2.147 224 G HA2 -0.239 3.722 3.960 0.001 0.000 0.244 224 G HA3 -0.239 3.722 3.960 0.001 0.000 0.244 224 G C 0.147 175.039 174.900 -0.014 0.000 1.005 224 G CA 0.191 45.259 45.100 -0.054 0.000 0.713 224 G HN 0.727 nan 8.290 nan 0.000 0.515 225 S N 0.020 115.734 115.700 0.024 0.000 2.600 225 S HA 0.382 4.853 4.470 0.001 0.000 0.265 225 S C 0.346 174.986 174.600 0.065 0.000 1.325 225 S CA -0.359 57.861 58.200 0.034 0.000 1.002 225 S CB 0.626 63.845 63.200 0.032 0.000 0.921 225 S HN 0.343 nan 8.310 nan 0.000 0.554 226 D N 1.635 122.067 120.400 0.053 0.000 2.434 226 D HA 0.324 4.965 4.640 0.001 0.000 0.252 226 D C -0.009 176.349 176.300 0.096 0.000 1.185 226 D CA 0.442 54.483 54.000 0.069 0.000 0.886 226 D CB -0.138 40.690 40.800 0.047 0.000 1.148 226 D HN 0.419 nan 8.370 nan 0.000 0.483 227 I N -1.449 119.205 120.570 0.140 0.000 2.865 227 I HA 0.470 4.640 4.170 0.001 0.000 0.302 227 I C -0.601 175.627 176.117 0.184 0.000 1.140 227 I CA -1.134 60.262 61.300 0.159 0.000 1.021 227 I CB 2.305 40.430 38.000 0.208 0.000 1.233 227 I HN -0.088 nan 8.210 nan 0.000 0.427 228 D N 3.343 123.833 120.400 0.150 0.000 2.399 228 D HA 0.106 4.747 4.640 0.001 0.000 0.241 228 D C -1.358 175.090 176.300 0.246 0.000 1.133 228 D CA 0.481 54.574 54.000 0.155 0.000 0.890 228 D CB 1.479 42.326 40.800 0.078 0.000 1.201 228 D HN 0.567 nan 8.370 nan 0.000 0.432 229 W N 1.557 122.840 121.300 -0.028 0.000 2.900 229 W HA 0.184 4.844 4.660 0.001 0.000 0.336 229 W C -1.004 175.485 176.519 -0.051 0.000 1.064 229 W CA -0.672 56.634 57.345 -0.065 0.000 1.237 229 W CB 1.733 31.169 29.460 -0.040 0.000 1.391 229 W HN 0.282 nan 8.180 nan 0.000 0.468 230 Q N 4.040 123.574 119.800 -0.443 0.000 2.398 230 Q HA 0.130 4.471 4.340 0.001 0.000 0.251 230 Q C -0.391 175.398 176.000 -0.350 0.000 0.999 230 Q CA -0.286 55.336 55.803 -0.300 0.000 0.874 230 Q CB 1.225 29.803 28.738 -0.267 0.000 1.215 230 Q HN 0.356 nan 8.270 nan 0.000 0.470 231 E N 2.192 122.344 120.200 -0.079 0.000 2.414 231 E HA 0.227 4.578 4.350 0.001 0.000 0.263 231 E C 0.859 177.444 176.600 -0.025 0.000 1.000 231 E CA 1.870 58.288 56.400 0.031 0.000 0.914 231 E CB 0.577 30.349 29.700 0.120 0.000 0.948 231 E HN 0.826 nan 8.360 nan 0.000 0.444 232 G N 4.355 113.162 108.800 0.012 0.000 2.812 232 G HA2 -0.424 3.537 3.960 0.001 0.000 0.219 232 G HA3 -0.424 3.537 3.960 0.001 0.000 0.219 232 G C 1.353 176.276 174.900 0.039 0.000 1.275 232 G CA 0.530 45.646 45.100 0.028 0.000 0.769 232 G HN 0.564 nan 8.290 nan 0.000 0.527 233 R N 1.219 121.665 120.500 -0.089 0.000 2.062 233 R HA 0.066 4.406 4.340 0.001 0.000 0.226 233 R C -0.085 176.133 176.300 -0.137 0.000 1.125 233 R CA 1.349 57.382 56.100 -0.112 0.000 0.966 233 R CB -0.185 29.984 30.300 -0.218 0.000 0.861 233 R HN 0.416 nan 8.270 nan 0.000 0.433 234 D N 0.812 120.924 120.400 -0.480 0.000 2.256 234 D HA 0.296 4.937 4.640 0.001 0.000 0.250 234 D C -0.673 175.316 176.300 -0.518 0.000 1.093 234 D CA 0.098 53.582 54.000 -0.860 0.000 0.882 234 D CB 1.569 41.138 40.800 -2.052 0.000 1.185 234 D HN 0.133 nan 8.370 nan 0.000 0.437 235 L N 1.287 122.357 121.223 -0.255 0.000 2.431 235 L HA 0.421 4.762 4.340 0.001 0.000 0.266 235 L C -0.759 176.260 176.870 0.248 0.000 0.978 235 L CA -1.046 53.857 54.840 0.104 0.000 0.822 235 L CB 1.848 43.915 42.059 0.013 0.000 1.310 235 L HN 0.278 nan 8.230 nan 0.000 0.409 236 W N 2.340 123.905 121.300 0.442 0.000 2.266 236 W HA 0.073 4.734 4.660 0.001 0.000 0.317 236 W C 1.068 177.751 176.519 0.273 0.000 1.310 236 W CA -0.199 57.346 57.345 0.333 0.000 1.207 236 W CB 0.860 30.410 29.460 0.151 0.000 1.199 236 W HN 0.630 nan 8.180 nan 0.000 0.544 237 W N 4.219 125.752 121.300 0.388 0.000 2.317 237 W HA -0.282 4.378 4.660 0.001 0.000 0.318 237 W C 1.999 178.630 176.519 0.186 0.000 1.227 237 W CA 1.968 59.457 57.345 0.241 0.000 1.269 237 W CB -0.409 29.134 29.460 0.139 0.000 1.155 237 W HN 0.500 nan 8.180 nan 0.000 0.484 238 R N 0.482 121.278 120.500 0.494 0.000 2.073 238 R HA -0.180 4.161 4.340 0.001 0.000 0.234 238 R C 1.897 178.288 176.300 0.152 0.000 1.134 238 R CA 2.225 58.496 56.100 0.286 0.000 0.952 238 R CB -0.669 29.728 30.300 0.162 0.000 0.850 238 R HN -0.029 nan 8.270 nan 0.000 0.433 239 D N 0.562 121.068 120.400 0.178 0.000 2.149 239 D HA -0.182 4.459 4.640 0.001 0.000 0.198 239 D C 1.946 178.289 176.300 0.072 0.000 0.990 239 D CA 1.204 55.280 54.000 0.127 0.000 0.839 239 D CB -0.123 40.797 40.800 0.200 0.000 0.948 239 D HN 0.303 nan 8.370 nan 0.000 0.460 240 L N 0.047 121.303 121.223 0.055 0.000 2.044 240 L HA -0.015 4.326 4.340 0.001 0.000 0.205 240 L C 2.555 179.378 176.870 -0.079 0.000 1.075 240 L CA 0.515 55.331 54.840 -0.040 0.000 0.747 240 L CB -0.182 41.821 42.059 -0.093 0.000 0.903 240 L HN -0.024 nan 8.230 nan 0.000 0.435 241 I N -0.352 120.159 120.570 -0.099 0.000 2.353 241 I HA -0.211 3.959 4.170 0.001 0.000 0.248 241 I C 2.453 178.556 176.117 -0.023 0.000 1.119 241 I CA 0.970 62.215 61.300 -0.092 0.000 1.417 241 I CB 0.028 37.943 38.000 -0.141 0.000 1.078 241 I HN 0.251 nan 8.210 nan 0.000 0.421 242 E N 1.102 121.306 120.200 0.007 0.000 2.153 242 E HA -0.240 4.111 4.350 0.001 0.000 0.194 242 E C 2.213 178.813 176.600 -0.001 0.000 0.988 242 E CA 1.586 57.995 56.400 0.014 0.000 0.811 242 E CB -0.304 29.410 29.700 0.023 0.000 0.746 242 E HN 0.585 nan 8.360 nan 0.000 0.466 243 K N 0.564 120.957 120.400 -0.012 0.000 2.418 243 K HA 0.341 4.662 4.320 0.001 0.000 0.195 243 K C 1.065 177.648 176.600 -0.029 0.000 1.035 243 K CA 0.815 57.091 56.287 -0.018 0.000 1.003 243 K CB -0.088 32.399 32.500 -0.021 0.000 0.793 243 K HN 0.178 nan 8.250 nan 0.000 0.494 244 A N 0.587 123.384 122.820 -0.039 0.000 2.316 244 A HA 0.543 4.864 4.320 0.001 0.000 0.284 244 A C 0.472 178.040 177.584 -0.026 0.000 1.115 244 A CA 0.022 52.030 52.037 -0.049 0.000 0.812 244 A CB 0.629 19.581 19.000 -0.080 0.000 1.064 244 A HN 0.395 nan 8.150 nan 0.000 0.489 245 S N 2.067 117.755 115.700 -0.020 0.000 2.549 245 S HA 0.287 4.758 4.470 0.001 0.000 0.283 245 S C -1.314 173.287 174.600 0.002 0.000 1.320 245 S CA -0.918 57.280 58.200 -0.002 0.000 1.058 245 S CB 0.473 63.676 63.200 0.005 0.000 0.882 245 S HN 0.531 nan 8.310 nan 0.000 0.498 246 P HA 0.123 nan 4.420 nan 0.000 0.245 246 P C -0.493 176.821 177.300 0.024 0.000 1.212 246 P CA 0.327 63.434 63.100 0.012 0.000 0.774 246 P CB 0.129 31.845 31.700 0.027 0.000 0.999 247 E N 0.910 121.133 120.200 0.039 0.000 2.134 247 E HA 0.284 4.635 4.350 0.001 0.000 0.278 247 E C -0.384 176.270 176.600 0.090 0.000 0.959 247 E CA -0.157 56.277 56.400 0.057 0.000 0.783 247 E CB 1.304 31.027 29.700 0.039 0.000 1.095 247 E HN 0.261 nan 8.360 nan 0.000 0.399 248 H N 2.566 121.627 119.070 -0.015 0.000 3.042 248 H HA 0.117 4.674 4.556 0.001 0.000 0.345 248 H C -1.179 174.154 175.328 0.010 0.000 1.052 248 H CA -0.527 55.510 56.048 -0.019 0.000 1.311 248 H CB 1.301 31.035 29.762 -0.046 0.000 1.810 248 H HN 0.282 nan 8.280 nan 0.000 0.505 249 Q N 5.497 125.023 119.800 -0.456 0.000 2.296 249 Q HA 0.288 4.629 4.340 0.001 0.000 0.257 249 Q C -2.286 173.539 176.000 -0.291 0.000 0.942 249 Q CA -2.012 53.641 55.803 -0.250 0.000 0.939 249 Q CB 1.611 30.241 28.738 -0.180 0.000 1.198 249 Q HN 0.485 nan 8.270 nan 0.000 0.429 250 P HA 0.172 nan 4.420 nan 0.000 0.275 250 P C -0.538 176.771 177.300 0.014 0.000 1.227 250 P CA -0.135 63.010 63.100 0.075 0.000 0.781 250 P CB 1.181 32.942 31.700 0.102 0.000 0.906 251 E N 0.649 120.871 120.200 0.036 0.000 2.227 251 E HA 0.541 4.892 4.350 0.001 0.000 0.268 251 E C -0.213 176.402 176.600 0.024 0.000 0.990 251 E CA -1.076 55.334 56.400 0.017 0.000 0.856 251 E CB 1.306 31.015 29.700 0.015 0.000 1.159 251 E HN 0.470 nan 8.360 nan 0.000 0.401 252 A N 3.515 126.348 122.820 0.022 0.000 2.492 252 A HA 0.238 4.559 4.320 0.001 0.000 0.254 252 A C -0.376 177.228 177.584 0.033 0.000 1.091 252 A CA -0.009 52.045 52.037 0.029 0.000 0.768 252 A CB 0.039 19.064 19.000 0.042 0.000 1.028 252 A HN 0.418 nan 8.150 nan 0.000 0.498 253 M N 2.694 122.311 119.600 0.028 0.000 2.363 253 M HA 0.258 4.739 4.480 0.001 0.000 0.343 253 M C 0.473 176.811 176.300 0.063 0.000 1.165 253 M CA -0.682 54.638 55.300 0.032 0.000 1.046 253 M CB 0.911 33.517 32.600 0.011 0.000 1.648 253 M HN 0.833 nan 8.290 nan 0.000 0.452 254 N N 0.933 119.676 118.700 0.072 0.000 2.479 254 N HA 0.116 4.857 4.740 0.001 0.000 0.257 254 N C 0.779 176.370 175.510 0.135 0.000 1.232 254 N CA 0.374 53.492 53.050 0.113 0.000 0.920 254 N CB 1.262 39.800 38.487 0.085 0.000 1.105 254 N HN 0.753 nan 8.380 nan 0.000 0.444 255 A N 3.291 126.253 122.820 0.236 0.000 1.958 255 A HA -0.161 4.160 4.320 0.001 0.000 0.221 255 A C 1.407 179.098 177.584 0.178 0.000 1.178 255 A CA 1.463 53.674 52.037 0.292 0.000 0.642 255 A CB -0.153 19.134 19.000 0.478 0.000 0.816 255 A HN 0.784 nan 8.150 nan 0.000 0.453 256 E N 0.749 121.023 120.200 0.124 0.000 2.444 256 E HA 0.066 4.416 4.350 0.001 0.000 0.191 256 E C -0.769 175.841 176.600 0.017 0.000 1.041 256 E CA -0.217 56.221 56.400 0.062 0.000 0.883 256 E CB -0.125 29.599 29.700 0.040 0.000 1.024 256 E HN 0.503 nan 8.360 nan 0.000 0.470 257 D N 2.553 122.967 120.400 0.023 0.000 2.455 257 D HA 0.062 4.703 4.640 0.001 0.000 0.241 257 D C -2.305 173.976 176.300 -0.032 0.000 1.138 257 D CA -1.445 52.554 54.000 -0.001 0.000 0.877 257 D CB 0.579 41.383 40.800 0.008 0.000 1.187 257 D HN -0.075 nan 8.370 nan 0.000 0.451 258 P HA -0.019 nan 4.420 nan 0.000 0.266 258 P C 0.289 177.531 177.300 -0.097 0.000 1.195 258 P CA -0.174 62.877 63.100 -0.081 0.000 0.768 258 P CB 0.742 32.419 31.700 -0.038 0.000 0.838 259 L N 4.479 125.596 121.223 -0.178 0.000 2.519 259 L HA 0.435 4.776 4.340 0.001 0.000 0.194 259 L C -0.009 176.758 176.870 -0.172 0.000 1.072 259 L CA 1.108 55.847 54.840 -0.169 0.000 0.845 259 L CB 0.029 41.963 42.059 -0.208 0.000 1.138 259 L HN 0.392 nan 8.230 nan 0.000 0.487 260 F N -1.137 118.643 119.950 -0.284 0.000 2.686 260 F HA 0.715 5.243 4.527 0.001 0.000 0.311 260 F C -1.231 174.493 175.800 -0.126 0.000 1.128 260 F CA -1.545 56.255 58.000 -0.332 0.000 0.946 260 F CB 0.663 39.348 39.000 -0.525 0.000 1.336 260 F HN -0.313 nan 8.300 nan 0.000 0.457 261 I N 3.061 123.744 120.570 0.189 0.000 2.530 261 I HA 0.533 4.703 4.170 0.001 0.000 0.297 261 I C -1.047 175.246 176.117 0.293 0.000 1.011 261 I CA -0.926 60.420 61.300 0.076 0.000 1.107 261 I CB 1.703 39.610 38.000 -0.154 0.000 1.285 261 I HN 0.681 nan 8.210 nan 0.000 0.436 262 L N 5.492 126.830 121.223 0.191 0.000 2.404 262 L HA 0.395 4.735 4.340 0.001 0.000 0.272 262 L C -1.068 175.839 176.870 0.062 0.000 0.980 262 L CA -0.750 54.218 54.840 0.214 0.000 0.836 262 L CB 2.026 44.245 42.059 0.266 0.000 1.238 262 L HN 0.400 nan 8.230 nan 0.000 0.408 263 Y N 2.171 122.575 120.300 0.173 0.000 2.544 263 Y HA 0.176 4.727 4.550 0.002 0.000 0.330 263 Y C 0.679 176.703 175.900 0.208 0.000 1.136 263 Y CA 0.500 58.686 58.100 0.143 0.000 1.417 263 Y CB 0.825 39.313 38.460 0.047 0.000 1.229 263 Y HN 0.381 nan 8.280 nan 0.000 0.532 264 T N 2.547 117.265 114.554 0.273 0.000 2.921 264 T HA 0.280 4.631 4.350 0.001 0.000 0.297 264 T C -0.450 174.372 174.700 0.204 0.000 1.013 264 T CA -1.027 61.217 62.100 0.241 0.000 0.990 264 T CB 1.096 70.083 68.868 0.199 0.000 1.023 264 T HN 0.457 nan 8.240 nan 0.000 0.447 265 S N 1.757 117.563 115.700 0.176 0.000 2.549 265 S HA 0.594 5.065 4.470 0.001 0.000 0.279 265 S C 0.742 175.399 174.600 0.095 0.000 1.321 265 S CA -0.546 57.732 58.200 0.130 0.000 1.054 265 S CB 0.730 63.997 63.200 0.112 0.000 0.899 265 S HN 0.919 nan 8.310 nan 0.000 0.497 266 G N 0.432 109.275 108.800 0.072 0.000 3.042 266 G HA2 0.455 4.416 3.960 0.001 0.000 0.278 266 G HA3 0.455 4.416 3.960 0.001 0.000 0.278 266 G C 0.644 175.547 174.900 0.005 0.000 1.371 266 G CA -0.479 44.638 45.100 0.029 0.000 1.009 266 G HN 0.559 nan 8.290 nan 0.000 0.523 267 S N -1.488 114.192 115.700 -0.033 0.000 2.428 267 S HA 0.044 4.515 4.470 0.001 0.000 0.230 267 S C 1.262 175.852 174.600 -0.017 0.000 1.014 267 S CA 1.644 59.826 58.200 -0.029 0.000 0.957 267 S CB -0.328 62.839 63.200 -0.055 0.000 0.784 267 S HN 1.105 nan 8.310 nan 0.000 0.499 268 T N -1.666 112.875 114.554 -0.021 0.000 2.893 268 T HA 0.654 5.005 4.350 0.001 0.000 0.291 268 T C 0.389 175.095 174.700 0.010 0.000 1.028 268 T CA 0.027 62.123 62.100 -0.008 0.000 0.995 268 T CB 1.314 70.169 68.868 -0.022 0.000 1.051 268 T HN 0.704 nan 8.240 nan 0.000 0.470 269 G N 2.514 111.328 108.800 0.022 0.000 2.645 269 G HA2 -0.152 3.809 3.960 0.001 0.000 0.246 269 G HA3 -0.152 3.809 3.960 0.001 0.000 0.246 269 G C -0.598 174.330 174.900 0.047 0.000 1.322 269 G CA -0.160 44.960 45.100 0.034 0.000 0.898 269 G HN 0.997 nan 8.290 nan 0.000 0.573 270 K N 0.989 121.422 120.400 0.054 0.000 2.090 270 K HA 0.501 4.821 4.320 0.001 0.000 0.249 270 K C -2.268 174.390 176.600 0.097 0.000 0.995 270 K CA -1.379 54.945 56.287 0.060 0.000 0.914 270 K CB 0.593 33.114 32.500 0.036 0.000 1.057 270 K HN 0.288 nan 8.250 nan 0.000 0.462 271 P HA -0.043 nan 4.420 nan 0.000 0.265 271 P C -0.930 176.552 177.300 0.303 0.000 1.187 271 P CA 0.395 63.612 63.100 0.196 0.000 0.766 271 P CB 0.482 32.301 31.700 0.198 0.000 0.820 272 K N 1.371 121.929 120.400 0.264 0.000 2.267 272 K HA 0.508 4.829 4.320 0.001 0.000 0.246 272 K C 0.400 176.971 176.600 -0.047 0.000 0.954 272 K CA -0.756 55.662 56.287 0.218 0.000 0.824 272 K CB 1.608 34.209 32.500 0.169 0.000 1.167 272 K HN 0.505 nan 8.250 nan 0.000 0.431 273 G N 1.006 109.574 108.800 -0.387 0.000 2.444 273 G HA2 0.271 4.232 3.960 0.001 0.000 0.303 273 G HA3 0.271 4.232 3.960 0.001 0.000 0.303 273 G C -0.134 174.630 174.900 -0.226 0.000 1.032 273 G CA -0.401 44.229 45.100 -0.782 0.000 1.137 273 G HN 0.214 nan 8.290 nan 0.000 0.430 274 V N 4.200 124.041 119.914 -0.122 0.000 2.479 274 V HA 0.094 4.215 4.120 0.001 0.000 0.281 274 V C 0.614 176.611 176.094 -0.161 0.000 1.031 274 V CA -0.150 62.120 62.300 -0.051 0.000 1.038 274 V CB 1.002 32.858 31.823 0.056 0.000 0.981 274 V HN 0.616 nan 8.190 nan 0.000 0.478 275 L N 6.270 127.328 121.223 -0.275 0.000 2.282 275 L HA 0.541 4.881 4.340 0.001 0.000 0.288 275 L C -0.231 176.261 176.870 -0.631 0.000 1.033 275 L CA -0.275 54.351 54.840 -0.358 0.000 0.807 275 L CB 0.610 42.538 42.059 -0.218 0.000 1.209 275 L HN 0.621 nan 8.230 nan 0.000 0.423 276 H N 2.854 121.525 119.070 -0.664 0.000 2.492 276 H HA 0.365 4.922 4.556 0.001 0.000 0.345 276 H C -0.098 174.908 175.328 -0.537 0.000 1.136 276 H CA -0.311 55.322 56.048 -0.692 0.000 1.202 276 H CB 1.914 30.966 29.762 -1.182 0.000 1.524 276 H HN 0.722 nan 8.280 nan 0.000 0.506 277 T N -0.639 113.803 114.554 -0.187 0.000 2.924 277 T HA 0.173 4.524 4.350 0.001 0.000 0.301 277 T C 1.092 175.764 174.700 -0.047 0.000 1.120 277 T CA -0.264 61.771 62.100 -0.108 0.000 0.940 277 T CB 0.485 69.328 68.868 -0.042 0.000 1.591 277 T HN 0.459 nan 8.240 nan 0.000 0.578 278 T N -0.575 113.991 114.554 0.020 0.000 3.053 278 T HA 0.286 4.637 4.350 0.001 0.000 0.236 278 T C 2.175 176.928 174.700 0.089 0.000 0.996 278 T CA 0.534 62.651 62.100 0.029 0.000 1.185 278 T CB -0.944 67.915 68.868 -0.015 0.000 0.892 278 T HN 0.717 nan 8.240 nan 0.000 0.432 279 G N 1.343 110.227 108.800 0.141 0.000 2.505 279 G HA2 0.015 3.975 3.960 0.001 0.000 0.214 279 G HA3 0.015 3.975 3.960 0.001 0.000 0.214 279 G C 1.745 176.824 174.900 0.298 0.000 1.237 279 G CA 0.983 46.213 45.100 0.217 0.000 0.802 279 G HN 0.529 nan 8.290 nan 0.000 0.549 280 G N -0.276 108.755 108.800 0.385 0.000 2.440 280 G HA2 -0.267 3.694 3.960 0.001 0.000 0.218 280 G HA3 -0.267 3.694 3.960 0.001 0.000 0.218 280 G C 1.648 176.595 174.900 0.078 0.000 1.154 280 G CA 1.263 46.501 45.100 0.230 0.000 0.767 280 G HN 0.460 nan 8.290 nan 0.000 0.552 281 Y N 0.727 121.034 120.300 0.013 0.000 2.081 281 Y HA -0.157 4.395 4.550 0.003 0.000 0.280 281 Y C 2.477 178.391 175.900 0.024 0.000 1.163 281 Y CA 1.932 60.038 58.100 0.010 0.000 1.135 281 Y CB -0.429 38.027 38.460 -0.006 0.000 0.970 281 Y HN 0.138 nan 8.280 nan 0.000 0.498 282 L N -0.408 120.799 121.223 -0.027 0.000 2.056 282 L HA -0.124 4.217 4.340 0.001 0.000 0.207 282 L C 2.356 179.152 176.870 -0.123 0.000 1.078 282 L CA 1.497 56.246 54.840 -0.152 0.000 0.749 282 L CB -0.984 41.038 42.059 -0.062 0.000 0.901 282 L HN 0.227 nan 8.230 nan 0.000 0.433 283 V N -1.064 118.852 119.914 0.005 0.000 2.282 283 V HA -0.375 3.745 4.120 0.001 0.000 0.249 283 V C 2.268 178.432 176.094 0.118 0.000 1.057 283 V CA 2.348 64.716 62.300 0.113 0.000 1.032 283 V CB -0.892 31.090 31.823 0.265 0.000 0.645 283 V HN 0.559 nan 8.190 nan 0.000 0.447 284 Y N 0.573 120.819 120.300 -0.091 0.000 2.200 284 Y HA -0.133 4.418 4.550 0.001 0.000 0.290 284 Y C 2.423 178.194 175.900 -0.215 0.000 1.137 284 Y CA 1.477 59.519 58.100 -0.096 0.000 1.163 284 Y CB -0.347 38.003 38.460 -0.183 0.000 0.988 284 Y HN 0.174 nan 8.280 nan 0.000 0.518 285 A N 0.264 122.869 122.820 -0.359 0.000 1.883 285 A HA -0.213 4.108 4.320 0.001 0.000 0.217 285 A C 2.358 179.752 177.584 -0.318 0.000 1.186 285 A CA 2.027 53.735 52.037 -0.548 0.000 0.624 285 A CB -1.480 17.053 19.000 -0.777 0.000 0.822 285 A HN 0.555 nan 8.150 nan 0.000 0.444 286 A N -1.275 121.425 122.820 -0.199 0.000 1.898 286 A HA -0.052 4.268 4.320 0.001 0.000 0.216 286 A C 2.311 179.872 177.584 -0.038 0.000 1.181 286 A CA 2.266 54.251 52.037 -0.087 0.000 0.620 286 A CB -1.147 17.818 19.000 -0.058 0.000 0.819 286 A HN 0.443 nan 8.150 nan 0.000 0.442 287 T N 0.164 114.684 114.554 -0.056 0.000 2.770 287 T HA -0.127 4.224 4.350 0.001 0.000 0.263 287 T C 2.246 176.901 174.700 -0.075 0.000 1.039 287 T CA 2.172 64.245 62.100 -0.046 0.000 1.142 287 T CB -0.724 68.304 68.868 0.268 0.000 0.868 287 T HN 0.805 nan 8.240 nan 0.000 0.435 288 T N 1.115 115.489 114.554 -0.301 0.000 2.708 288 T HA -0.138 4.213 4.350 0.001 0.000 0.266 288 T C 1.758 176.308 174.700 -0.249 0.000 1.037 288 T CA 1.153 62.899 62.100 -0.590 0.000 1.146 288 T CB -1.007 67.188 68.868 -1.121 0.000 0.865 288 T HN 0.313 nan 8.240 nan 0.000 0.435 289 F N 2.665 122.492 119.950 -0.205 0.000 2.065 289 F HA -0.090 4.438 4.527 0.002 0.000 0.298 289 F C 2.506 178.353 175.800 0.079 0.000 1.112 289 F CA 2.046 60.071 58.000 0.041 0.000 1.212 289 F CB -0.371 38.639 39.000 0.017 0.000 0.975 289 F HN 0.111 nan 8.300 nan 0.000 0.476 290 K N -0.734 119.673 120.400 0.012 0.000 2.009 290 K HA -0.237 4.084 4.320 0.001 0.000 0.210 290 K C 2.201 178.808 176.600 0.011 0.000 1.049 290 K CA 2.253 58.511 56.287 -0.049 0.000 0.929 290 K CB -0.667 31.770 32.500 -0.104 0.000 0.714 290 K HN 0.508 nan 8.250 nan 0.000 0.440 291 Y N -0.586 119.783 120.300 0.115 0.000 2.286 291 Y HA -0.126 4.430 4.550 0.009 0.000 0.293 291 Y C 2.220 178.151 175.900 0.052 0.000 1.124 291 Y CA 0.225 58.421 58.100 0.160 0.000 1.178 291 Y CB 0.314 38.990 38.460 0.361 0.000 1.010 291 Y HN -0.107 nan 8.280 nan 0.000 0.536 292 V N -0.888 119.064 119.914 0.063 0.000 2.488 292 V HA -0.242 3.879 4.120 0.001 0.000 0.246 292 V C 1.322 177.203 176.094 -0.354 0.000 1.046 292 V CA 1.623 63.794 62.300 -0.215 0.000 1.053 292 V CB -0.493 31.071 31.823 -0.432 0.000 0.679 292 V HN 0.331 nan 8.190 nan 0.000 0.458 293 F N -0.452 119.416 119.950 -0.137 0.000 2.765 293 F HA 0.204 4.732 4.527 0.002 0.000 0.302 293 F C 1.099 176.868 175.800 -0.051 0.000 1.111 293 F CA 0.364 58.269 58.000 -0.159 0.000 1.359 293 F CB -0.034 38.743 39.000 -0.372 0.000 1.097 293 F HN 0.171 nan 8.300 nan 0.000 0.577 294 D N 0.504 120.987 120.400 0.138 0.000 2.689 294 D HA -0.321 4.320 4.640 0.001 0.000 0.237 294 D C -0.273 176.172 176.300 0.241 0.000 1.148 294 D CA 0.322 54.443 54.000 0.202 0.000 0.656 294 D CB -1.454 39.476 40.800 0.217 0.000 1.050 294 D HN 0.448 nan 8.370 nan 0.000 0.426 295 Y N 1.073 121.378 120.300 0.008 0.000 2.465 295 Y HA 0.380 4.930 4.550 0.001 0.000 0.331 295 Y C -0.015 175.923 175.900 0.064 0.000 1.102 295 Y CA -0.022 58.093 58.100 0.025 0.000 1.358 295 Y CB 0.428 38.796 38.460 -0.153 0.000 1.213 295 Y HN 0.156 nan 8.280 nan 0.000 0.525 296 H N 6.421 125.009 119.070 -0.802 0.000 2.524 296 H HA 0.394 4.950 4.556 0.000 0.000 0.353 296 H C -2.459 172.287 175.328 -0.970 0.000 1.136 296 H CA -2.387 53.264 56.048 -0.662 0.000 1.193 296 H CB 1.170 30.774 29.762 -0.263 0.000 1.558 296 H HN 0.534 nan 8.280 nan 0.000 0.515 297 P HA 0.001 nan 4.420 nan 0.000 0.261 297 P C 0.884 178.164 177.300 -0.033 0.000 1.173 297 P CA 1.683 64.706 63.100 -0.127 0.000 0.760 297 P CB 0.479 32.187 31.700 0.014 0.000 0.783 298 G N 2.242 111.098 108.800 0.094 0.000 2.234 298 G HA2 -0.191 3.770 3.960 0.001 0.000 0.235 298 G HA3 -0.191 3.770 3.960 0.001 0.000 0.235 298 G C -0.097 174.888 174.900 0.142 0.000 0.997 298 G CA -0.359 44.809 45.100 0.113 0.000 0.623 298 G HN 0.503 nan 8.290 nan 0.000 0.514 299 D N 1.650 122.132 120.400 0.136 0.000 2.450 299 D HA 0.348 4.989 4.640 0.001 0.000 0.247 299 D C 0.954 177.455 176.300 0.336 0.000 1.162 299 D CA 0.163 54.288 54.000 0.209 0.000 0.879 299 D CB 0.646 41.570 40.800 0.207 0.000 1.163 299 D HN 0.197 nan 8.370 nan 0.000 0.472 300 I N 3.075 123.797 120.570 0.255 0.000 2.352 300 I HA 0.115 4.285 4.170 0.001 0.000 0.290 300 I C -0.080 176.224 176.117 0.312 0.000 1.036 300 I CA -0.573 60.879 61.300 0.253 0.000 1.336 300 I CB -0.124 37.975 38.000 0.166 0.000 1.407 300 I HN 0.309 nan 8.210 nan 0.000 0.497 301 Y N 7.186 127.609 120.300 0.205 0.000 2.393 301 Y HA 0.492 5.044 4.550 0.002 0.000 0.341 301 Y C -1.387 174.670 175.900 0.262 0.000 0.988 301 Y CA -0.767 57.461 58.100 0.212 0.000 1.078 301 Y CB 1.591 40.211 38.460 0.266 0.000 1.203 301 Y HN 0.603 nan 8.280 nan 0.000 0.453 302 W N 8.598 129.506 121.300 -0.653 0.000 2.631 302 W HA 0.498 5.159 4.660 0.001 0.000 0.321 302 W C -1.782 174.385 176.519 -0.587 0.000 1.004 302 W CA -1.726 55.323 57.345 -0.493 0.000 1.291 302 W CB 0.775 30.108 29.460 -0.212 0.000 1.300 302 W HN 0.846 nan 8.180 nan 0.000 0.422 303 C N 6.329 125.416 119.300 -0.355 0.000 2.330 303 C HA 0.538 4.999 4.460 0.001 0.000 0.344 303 C C 1.657 176.566 174.990 -0.134 0.000 1.273 303 C CA 0.415 59.335 59.018 -0.163 0.000 1.879 303 C CB 0.210 28.108 27.740 0.264 0.000 2.376 303 C HN 0.762 nan 8.230 nan 0.000 0.534 304 T N 2.734 117.091 114.554 -0.327 0.000 3.107 304 T HA 0.289 4.640 4.350 0.001 0.000 0.249 304 T C 0.718 175.446 174.700 0.047 0.000 1.096 304 T CA 0.528 62.509 62.100 -0.198 0.000 1.012 304 T CB -0.166 68.459 68.868 -0.404 0.000 0.977 304 T HN 1.113 nan 8.240 nan 0.000 0.527 305 A N 1.579 124.443 122.820 0.072 0.000 2.407 305 A HA 0.304 4.625 4.320 0.001 0.000 0.248 305 A C 0.364 178.082 177.584 0.225 0.000 1.082 305 A CA -0.512 51.622 52.037 0.162 0.000 0.785 305 A CB -0.017 19.105 19.000 0.202 0.000 1.020 305 A HN 0.496 nan 8.150 nan 0.000 0.489 306 D N 1.523 122.086 120.400 0.271 0.000 2.414 306 D HA -0.003 4.638 4.640 0.001 0.000 0.242 306 D C 1.343 177.729 176.300 0.144 0.000 1.129 306 D CA 0.074 54.193 54.000 0.198 0.000 0.885 306 D CB 1.297 42.230 40.800 0.222 0.000 1.198 306 D HN 0.246 nan 8.370 nan 0.000 0.437 307 V N 4.412 124.368 119.914 0.071 0.000 2.546 307 V HA -0.189 3.932 4.120 0.001 0.000 0.254 307 V C 2.039 178.175 176.094 0.070 0.000 1.076 307 V CA 2.522 64.841 62.300 0.032 0.000 1.087 307 V CB -0.386 31.386 31.823 -0.086 0.000 0.674 307 V HN 0.765 nan 8.190 nan 0.000 0.470 308 G N -1.519 107.238 108.800 -0.071 0.000 2.625 308 G HA2 -0.120 3.840 3.960 0.001 0.000 0.214 308 G HA3 -0.120 3.840 3.960 0.001 0.000 0.214 308 G C 0.279 174.963 174.900 -0.359 0.000 1.132 308 G CA -0.075 44.890 45.100 -0.225 0.000 0.782 308 G HN 0.627 nan 8.290 nan 0.000 0.538 309 W N -2.386 119.010 121.300 0.160 0.000 2.736 309 W HA 0.505 5.166 4.660 0.001 0.000 0.355 309 W C 1.025 177.551 176.519 0.010 0.000 1.102 309 W CA -1.263 56.108 57.345 0.044 0.000 1.164 309 W CB 1.397 30.855 29.460 -0.003 0.000 1.422 309 W HN -0.257 nan 8.180 nan 0.000 0.572 310 V N 1.140 121.189 119.914 0.225 0.000 2.490 310 V HA -0.263 3.858 4.120 0.001 0.000 0.250 310 V C 1.654 178.043 176.094 0.491 0.000 1.061 310 V CA 2.811 65.219 62.300 0.180 0.000 1.064 310 V CB -0.574 31.373 31.823 0.207 0.000 0.670 310 V HN 0.826 nan 8.190 nan 0.000 0.461 311 T N 0.011 114.865 114.554 0.501 0.000 2.788 311 T HA -0.098 4.253 4.350 0.001 0.000 0.268 311 T C 1.706 176.772 174.700 0.611 0.000 1.044 311 T CA 1.411 63.972 62.100 0.769 0.000 1.139 311 T CB -0.665 68.534 68.868 0.551 0.000 0.867 311 T HN 0.658 nan 8.240 nan 0.000 0.454 312 G N 0.520 109.585 108.800 0.440 0.000 2.408 312 G HA2 -0.195 3.765 3.960 0.001 0.000 0.217 312 G HA3 -0.195 3.765 3.960 0.001 0.000 0.217 312 G C 1.253 176.284 174.900 0.219 0.000 1.150 312 G CA 0.578 45.867 45.100 0.316 0.000 0.776 312 G HN 0.471 nan 8.290 nan 0.000 0.542 313 H N 0.905 119.995 119.070 0.033 0.000 2.276 313 H HA 0.047 4.604 4.556 0.001 0.000 0.301 313 H C 3.008 178.317 175.328 -0.032 0.000 1.073 313 H CA 1.660 57.626 56.048 -0.136 0.000 1.311 313 H CB -0.392 29.253 29.762 -0.194 0.000 1.379 313 H HN 0.283 nan 8.280 nan 0.000 0.494 314 S N -0.761 115.084 115.700 0.242 0.000 2.395 314 S HA -0.056 4.415 4.470 0.001 0.000 0.225 314 S C 1.084 175.327 174.600 -0.596 0.000 1.027 314 S CA 1.025 59.092 58.200 -0.222 0.000 0.965 314 S CB -0.002 62.867 63.200 -0.552 0.000 0.812 314 S HN 0.455 nan 8.310 nan 0.000 0.482 315 Y N -0.422 120.051 120.300 0.289 0.000 2.500 315 Y HA 0.400 4.950 4.550 0.001 0.000 0.246 315 Y C 1.596 177.757 175.900 0.435 0.000 1.146 315 Y CA -0.377 57.946 58.100 0.372 0.000 1.230 315 Y CB 0.366 39.238 38.460 0.686 0.000 1.214 315 Y HN 0.132 nan 8.280 nan 0.000 0.526 316 L N -0.374 121.064 121.223 0.359 0.000 2.221 316 L HA 0.146 4.487 4.340 0.001 0.000 0.202 316 L C 1.216 178.125 176.870 0.066 0.000 1.074 316 L CA 1.654 56.653 54.840 0.266 0.000 0.795 316 L CB -0.297 41.874 42.059 0.186 0.000 0.960 316 L HN 0.286 nan 8.230 nan 0.000 0.458 317 L N -2.526 118.634 121.223 -0.105 0.000 2.670 317 L HA -0.014 4.327 4.340 0.001 0.000 0.177 317 L C 2.418 179.164 176.870 -0.206 0.000 1.181 317 L CA 0.104 54.789 54.840 -0.260 0.000 0.856 317 L CB -0.656 41.072 42.059 -0.550 0.000 1.205 317 L HN -0.005 nan 8.230 nan 0.000 0.506 318 Y N 0.873 121.122 120.300 -0.086 0.000 2.133 318 Y HA -0.072 4.478 4.550 0.001 0.000 0.287 318 Y C 2.518 178.281 175.900 -0.230 0.000 1.134 318 Y CA 1.047 59.096 58.100 -0.085 0.000 1.133 318 Y CB -1.491 37.015 38.460 0.076 0.000 0.987 318 Y HN 0.125 nan 8.280 nan 0.000 0.502 319 G N 0.403 109.067 108.800 -0.227 0.000 2.459 319 G HA2 -0.225 3.736 3.960 0.001 0.000 0.217 319 G HA3 -0.225 3.736 3.960 0.001 0.000 0.217 319 G C -0.594 173.855 174.900 -0.752 0.000 1.183 319 G CA 1.089 45.938 45.100 -0.419 0.000 0.776 319 G HN 0.299 nan 8.290 nan 0.000 0.552 320 P HA -0.029 nan 4.420 nan 0.000 0.216 320 P C 2.065 179.010 177.300 -0.591 0.000 1.153 320 P CA 0.762 63.054 63.100 -1.345 0.000 0.848 320 P CB -0.129 31.039 31.700 -0.887 0.000 0.787 321 L N -1.219 119.843 121.223 -0.269 0.000 2.141 321 L HA -0.102 4.239 4.340 0.001 0.000 0.209 321 L C 2.474 179.385 176.870 0.068 0.000 1.094 321 L CA 1.315 56.150 54.840 -0.009 0.000 0.763 321 L CB -1.129 40.983 42.059 0.089 0.000 0.908 321 L HN -0.053 nan 8.230 nan 0.000 0.437 322 A N -0.837 121.988 122.820 0.007 0.000 1.933 322 A HA -0.216 4.105 4.320 0.001 0.000 0.218 322 A C 2.204 179.841 177.584 0.089 0.000 1.175 322 A CA 1.732 53.819 52.037 0.085 0.000 0.628 322 A CB -1.008 17.982 19.000 -0.017 0.000 0.814 322 A HN 0.557 nan 8.150 nan 0.000 0.444 323 C N -1.177 118.061 119.300 -0.104 0.000 2.576 323 C HA 0.418 4.879 4.460 0.001 0.000 0.267 323 C C 1.930 176.817 174.990 -0.171 0.000 1.364 323 C CA 0.211 59.177 59.018 -0.087 0.000 1.723 323 C CB -1.244 26.419 27.740 -0.129 0.000 1.778 323 C HN 1.094 nan 8.230 nan 0.000 0.572 324 G N 0.595 109.134 108.800 -0.435 0.000 2.147 324 G HA2 -0.037 3.924 3.960 0.001 0.000 0.244 324 G HA3 -0.037 3.924 3.960 0.001 0.000 0.244 324 G C 0.131 174.923 174.900 -0.179 0.000 1.005 324 G CA 0.262 44.904 45.100 -0.762 0.000 0.713 324 G HN 0.887 nan 8.290 nan 0.000 0.515 325 A N -0.493 122.223 122.820 -0.172 0.000 2.313 325 A HA 0.763 5.084 4.320 0.001 0.000 0.261 325 A C 0.766 178.435 177.584 0.141 0.000 1.090 325 A CA 0.791 52.788 52.037 -0.066 0.000 0.807 325 A CB 0.493 19.226 19.000 -0.444 0.000 1.055 325 A HN 0.786 nan 8.150 nan 0.000 0.492 326 T N 1.458 116.140 114.554 0.213 0.000 2.743 326 T HA 0.458 4.809 4.350 0.001 0.000 0.293 326 T C 0.054 174.855 174.700 0.168 0.000 0.945 326 T CA 0.220 62.412 62.100 0.152 0.000 1.030 326 T CB 0.591 69.560 68.868 0.169 0.000 0.912 326 T HN 0.685 nan 8.240 nan 0.000 0.483 327 T N 3.891 118.501 114.554 0.093 0.000 2.823 327 T HA 0.601 4.952 4.350 0.001 0.000 0.279 327 T C -0.613 174.119 174.700 0.053 0.000 0.998 327 T CA -0.751 61.456 62.100 0.178 0.000 0.994 327 T CB 0.565 69.534 68.868 0.169 0.000 0.960 327 T HN 0.480 nan 8.240 nan 0.000 0.448 328 L N 5.937 127.191 121.223 0.051 0.000 2.275 328 L HA 0.637 4.978 4.340 0.001 0.000 0.288 328 L C -0.232 176.637 176.870 -0.002 0.000 1.046 328 L CA -0.651 54.105 54.840 -0.140 0.000 0.805 328 L CB 1.061 42.864 42.059 -0.427 0.000 1.193 328 L HN 0.688 nan 8.230 nan 0.000 0.426 329 M N 5.540 125.128 119.600 -0.022 0.000 2.101 329 M HA 0.336 4.817 4.480 0.001 0.000 0.340 329 M C -1.720 174.638 176.300 0.096 0.000 1.057 329 M CA -0.638 54.743 55.300 0.134 0.000 0.984 329 M CB 1.158 33.870 32.600 0.187 0.000 1.560 329 M HN 0.557 nan 8.290 nan 0.000 0.435 330 F N 4.252 124.209 119.950 0.012 0.000 2.427 330 F HA 0.316 4.844 4.527 0.001 0.000 0.346 330 F C 0.856 176.660 175.800 0.006 0.000 1.120 330 F CA -0.657 57.288 58.000 -0.091 0.000 1.033 330 F CB 1.204 40.280 39.000 0.126 0.000 1.126 330 F HN 0.771 nan 8.300 nan 0.000 0.462 331 E N 3.149 123.070 120.200 -0.464 0.000 2.208 331 E HA 0.083 4.434 4.350 0.001 0.000 0.193 331 E C 0.989 177.206 176.600 -0.638 0.000 0.988 331 E CA 0.772 56.962 56.400 -0.350 0.000 0.828 331 E CB 0.088 29.691 29.700 -0.161 0.000 0.763 331 E HN 0.902 nan 8.360 nan 0.000 0.478 332 G N 0.218 108.145 108.800 -1.456 0.000 2.849 332 G HA2 0.427 4.387 3.960 0.001 0.000 0.174 332 G HA3 0.427 4.387 3.960 0.001 0.000 0.174 332 G C -0.380 174.121 174.900 -0.666 0.000 1.370 332 G CA 0.093 44.613 45.100 -0.966 0.000 1.040 332 G HN 0.151 nan 8.290 nan 0.000 0.582 333 V N -2.569 117.297 119.914 -0.080 0.000 2.864 333 V HA 0.600 4.721 4.120 0.001 0.000 0.314 333 V C -1.831 174.597 176.094 0.558 0.000 1.073 333 V CA -1.906 60.540 62.300 0.243 0.000 0.956 333 V CB 2.166 34.081 31.823 0.153 0.000 1.023 333 V HN 0.480 nan 8.190 nan 0.000 0.435 334 P HA -0.098 nan 4.420 nan 0.000 0.228 334 P C 0.480 177.934 177.300 0.256 0.000 1.151 334 P CA 1.584 64.891 63.100 0.345 0.000 0.770 334 P CB -0.198 31.607 31.700 0.175 0.000 0.786 335 N N -3.421 115.434 118.700 0.258 0.000 2.299 335 N HA 0.120 4.861 4.740 0.001 0.000 0.246 335 N C -0.775 174.890 175.510 0.259 0.000 1.254 335 N CA -0.750 52.421 53.050 0.203 0.000 0.879 335 N CB 0.008 38.580 38.487 0.143 0.000 1.214 335 N HN 0.024 nan 8.380 nan 0.000 0.510 336 W N 2.030 123.407 121.300 0.129 0.000 2.785 336 W HA 0.470 5.130 4.660 0.001 0.000 0.333 336 W C -2.456 174.131 176.519 0.113 0.000 1.062 336 W CA -1.773 55.630 57.345 0.098 0.000 1.233 336 W CB 2.144 31.648 29.460 0.074 0.000 1.413 336 W HN -0.164 nan 8.180 nan 0.000 0.489 337 P HA -0.015 nan 4.420 nan 0.000 0.225 337 P C 0.177 177.176 177.300 -0.503 0.000 1.156 337 P CA 1.372 63.668 63.100 -1.341 0.000 0.787 337 P CB 0.308 31.288 31.700 -1.200 0.000 0.802 338 T N -6.503 107.915 114.554 -0.226 0.000 2.901 338 T HA 0.445 4.796 4.350 0.001 0.000 0.293 338 T C -2.484 172.218 174.700 0.003 0.000 1.084 338 T CA -2.395 59.649 62.100 -0.092 0.000 1.008 338 T CB 1.833 70.647 68.868 -0.089 0.000 1.170 338 T HN -0.340 nan 8.240 nan 0.000 0.509 339 P HA 0.078 nan 4.420 nan 0.000 0.223 339 P C 1.192 178.539 177.300 0.077 0.000 1.144 339 P CA 0.842 63.982 63.100 0.066 0.000 0.783 339 P CB -0.208 31.529 31.700 0.063 0.000 0.771 340 A N -0.831 122.017 122.820 0.047 0.000 2.235 340 A HA -0.034 4.287 4.320 0.001 0.000 0.208 340 A C 2.212 179.816 177.584 0.033 0.000 1.172 340 A CA 0.492 52.554 52.037 0.041 0.000 0.786 340 A CB -0.859 18.149 19.000 0.013 0.000 0.804 340 A HN -0.057 nan 8.150 nan 0.000 0.479 341 R N 0.145 120.671 120.500 0.044 0.000 2.096 341 R HA -0.164 4.176 4.340 0.001 0.000 0.240 341 R C 2.010 178.329 176.300 0.033 0.000 1.139 341 R CA 2.411 58.534 56.100 0.037 0.000 0.952 341 R CB -0.645 29.726 30.300 0.118 0.000 0.854 341 R HN 0.568 nan 8.270 nan 0.000 0.436 342 M N -0.752 118.914 119.600 0.109 0.000 2.082 342 M HA -0.248 4.233 4.480 0.001 0.000 0.258 342 M C 1.889 178.299 176.300 0.183 0.000 1.069 342 M CA 2.177 57.592 55.300 0.190 0.000 1.102 342 M CB -0.209 32.472 32.600 0.135 0.000 1.336 342 M HN 0.358 nan 8.290 nan 0.000 0.404 343 C N 0.346 119.705 119.300 0.098 0.000 2.446 343 C HA -0.081 4.380 4.460 0.001 0.000 0.279 343 C C 2.471 177.464 174.990 0.006 0.000 1.366 343 C CA 0.636 59.689 59.018 0.058 0.000 1.763 343 C CB -1.211 26.546 27.740 0.029 0.000 1.929 343 C HN 0.628 nan 8.230 nan 0.000 0.509 344 Q N 0.285 120.071 119.800 -0.024 0.000 2.124 344 Q HA -0.139 4.202 4.340 0.001 0.000 0.202 344 Q C 2.332 178.251 176.000 -0.135 0.000 0.977 344 Q CA 1.460 57.216 55.803 -0.078 0.000 0.850 344 Q CB -0.175 28.513 28.738 -0.084 0.000 0.901 344 Q HN 0.582 nan 8.270 nan 0.000 0.429 345 V N 0.095 119.907 119.914 -0.170 0.000 2.261 345 V HA -0.250 3.870 4.120 0.001 0.000 0.246 345 V C 2.249 178.227 176.094 -0.193 0.000 1.047 345 V CA 1.467 63.580 62.300 -0.312 0.000 1.015 345 V CB -0.638 30.751 31.823 -0.723 0.000 0.642 345 V HN 0.190 nan 8.190 nan 0.000 0.446 346 V N 0.508 120.414 119.914 -0.013 0.000 2.250 346 V HA -0.361 3.760 4.120 0.001 0.000 0.250 346 V C 2.330 178.415 176.094 -0.016 0.000 1.060 346 V CA 2.565 64.903 62.300 0.062 0.000 1.030 346 V CB -0.773 31.123 31.823 0.122 0.000 0.643 346 V HN 0.569 nan 8.190 nan 0.000 0.445 347 D N -0.657 119.711 120.400 -0.053 0.000 2.117 347 D HA -0.155 4.486 4.640 0.001 0.000 0.198 347 D C 2.180 178.405 176.300 -0.125 0.000 0.982 347 D CA 1.418 55.374 54.000 -0.075 0.000 0.828 347 D CB -0.268 40.486 40.800 -0.077 0.000 0.967 347 D HN 0.455 nan 8.370 nan 0.000 0.464 348 K N -0.085 120.184 120.400 -0.217 0.000 2.057 348 K HA -0.139 4.181 4.320 0.001 0.000 0.207 348 K C 1.214 177.548 176.600 -0.444 0.000 1.049 348 K CA 1.159 57.218 56.287 -0.380 0.000 0.931 348 K CB 0.098 32.264 32.500 -0.556 0.000 0.714 348 K HN 0.251 nan 8.250 nan 0.000 0.440 349 H N 0.196 119.203 119.070 -0.103 0.000 2.594 349 H HA 0.138 4.695 4.556 0.001 0.000 0.279 349 H C -0.136 175.175 175.328 -0.028 0.000 1.042 349 H CA 0.072 56.078 56.048 -0.070 0.000 1.177 349 H CB 0.817 30.479 29.762 -0.166 0.000 1.524 349 H HN 0.243 nan 8.280 nan 0.000 0.537 350 Q N 0.406 120.227 119.800 0.034 0.000 2.451 350 Q HA -0.138 4.202 4.340 0.001 0.000 0.305 350 Q C -0.123 175.919 176.000 0.069 0.000 1.345 350 Q CA 0.227 56.052 55.803 0.037 0.000 0.854 350 Q CB -2.209 26.550 28.738 0.035 0.000 1.162 350 Q HN 0.191 nan 8.270 nan 0.000 0.440 351 V N 0.982 120.944 119.914 0.080 0.000 2.599 351 V HA -0.104 4.017 4.120 0.001 0.000 0.300 351 V C 1.550 177.704 176.094 0.099 0.000 1.034 351 V CA 1.173 63.542 62.300 0.116 0.000 1.115 351 V CB 0.666 32.594 31.823 0.175 0.000 0.934 351 V HN 0.480 nan 8.190 nan 0.000 0.485 352 N N 3.453 122.225 118.700 0.119 0.000 2.368 352 N HA 0.336 5.077 4.740 0.001 0.000 0.178 352 N C -0.245 175.329 175.510 0.106 0.000 1.076 352 N CA 0.110 53.217 53.050 0.095 0.000 0.889 352 N CB 0.490 39.038 38.487 0.101 0.000 1.040 352 N HN 0.592 nan 8.380 nan 0.000 0.463 353 I N 1.308 121.966 120.570 0.146 0.000 2.478 353 I HA 0.313 4.484 4.170 0.001 0.000 0.287 353 I C -1.551 174.588 176.117 0.037 0.000 1.042 353 I CA -0.890 60.490 61.300 0.133 0.000 1.067 353 I CB 2.236 40.385 38.000 0.250 0.000 1.233 353 I HN -0.102 nan 8.210 nan 0.000 0.431 354 L N 7.616 128.854 121.223 0.026 0.000 2.356 354 L HA 0.552 4.893 4.340 0.001 0.000 0.277 354 L C -1.768 175.147 176.870 0.076 0.000 0.996 354 L CA -0.450 54.375 54.840 -0.025 0.000 0.822 354 L CB 1.378 43.437 42.059 -0.001 0.000 1.256 354 L HN 0.468 nan 8.230 nan 0.000 0.413 355 Y N 4.370 124.544 120.300 -0.210 0.000 2.332 355 Y HA 0.684 5.236 4.550 0.003 0.000 0.326 355 Y C -0.481 175.352 175.900 -0.112 0.000 0.978 355 Y CA -0.383 57.696 58.100 -0.036 0.000 1.205 355 Y CB 1.407 39.868 38.460 0.002 0.000 1.131 355 Y HN 0.787 nan 8.280 nan 0.000 0.462 356 T N 3.308 117.759 114.554 -0.172 0.000 2.669 356 T HA 0.919 5.269 4.350 0.001 0.000 0.283 356 T C -1.443 173.064 174.700 -0.322 0.000 1.019 356 T CA -0.214 61.697 62.100 -0.314 0.000 1.039 356 T CB 1.107 69.796 68.868 -0.300 0.000 1.374 356 T HN 0.747 nan 8.240 nan 0.000 0.523 357 A N 1.198 123.845 122.820 -0.287 0.000 2.350 357 A HA 0.724 5.045 4.320 0.001 0.000 0.324 357 A C -2.153 175.289 177.584 -0.235 0.000 1.118 357 A CA -1.666 50.223 52.037 -0.247 0.000 0.783 357 A CB 1.126 19.989 19.000 -0.227 0.000 1.236 357 A HN 0.593 nan 8.150 nan 0.000 0.457 358 P HA -0.140 nan 4.420 nan 0.000 0.217 358 P C 1.473 178.690 177.300 -0.138 0.000 1.148 358 P CA 1.958 64.967 63.100 -0.152 0.000 0.828 358 P CB 0.131 31.787 31.700 -0.074 0.000 0.783 359 T N -0.764 113.705 114.554 -0.142 0.000 2.746 359 T HA -0.155 4.195 4.350 0.001 0.000 0.267 359 T C 1.879 176.510 174.700 -0.114 0.000 1.039 359 T CA 1.687 63.713 62.100 -0.123 0.000 1.142 359 T CB -0.883 67.895 68.868 -0.151 0.000 0.866 359 T HN 0.073 nan 8.240 nan 0.000 0.444 360 A N 1.134 123.876 122.820 -0.129 0.000 1.877 360 A HA -0.010 4.311 4.320 0.001 0.000 0.216 360 A C 2.277 179.794 177.584 -0.112 0.000 1.186 360 A CA 1.206 53.182 52.037 -0.101 0.000 0.620 360 A CB -0.783 18.153 19.000 -0.106 0.000 0.822 360 A HN 0.521 nan 8.150 nan 0.000 0.443 361 I N -0.777 119.691 120.570 -0.170 0.000 2.208 361 I HA -0.303 3.868 4.170 0.001 0.000 0.245 361 I C 2.791 178.790 176.117 -0.197 0.000 1.097 361 I CA 1.521 62.723 61.300 -0.164 0.000 1.363 361 I CB -0.359 37.472 38.000 -0.281 0.000 1.051 361 I HN 0.287 nan 8.210 nan 0.000 0.413 362 R N 0.659 121.056 120.500 -0.170 0.000 2.081 362 R HA -0.121 4.220 4.340 0.001 0.000 0.235 362 R C 2.490 178.673 176.300 -0.194 0.000 1.131 362 R CA 1.445 57.435 56.100 -0.182 0.000 0.960 362 R CB -0.495 29.743 30.300 -0.103 0.000 0.856 362 R HN 0.380 nan 8.270 nan 0.000 0.436 363 A N 1.293 124.036 122.820 -0.129 0.000 1.908 363 A HA -0.137 4.184 4.320 0.001 0.000 0.218 363 A C 2.165 179.682 177.584 -0.113 0.000 1.181 363 A CA 1.239 53.223 52.037 -0.089 0.000 0.627 363 A CB -0.499 18.479 19.000 -0.037 0.000 0.818 363 A HN 0.180 nan 8.150 nan 0.000 0.445 364 L N -1.544 119.598 121.223 -0.135 0.000 2.156 364 L HA -0.075 4.266 4.340 0.001 0.000 0.208 364 L C 2.759 179.400 176.870 -0.381 0.000 1.095 364 L CA 1.365 56.142 54.840 -0.104 0.000 0.770 364 L CB -0.428 41.679 42.059 0.081 0.000 0.914 364 L HN 0.534 nan 8.230 nan 0.000 0.439 365 M N 0.069 119.155 119.600 -0.857 0.000 2.175 365 M HA -0.164 4.316 4.480 0.001 0.000 0.264 365 M C 2.315 178.242 176.300 -0.622 0.000 1.063 365 M CA 1.771 56.214 55.300 -1.428 0.000 1.119 365 M CB -0.067 31.702 32.600 -1.386 0.000 1.377 365 M HN 0.251 nan 8.290 nan 0.000 0.415 366 A N 0.190 122.798 122.820 -0.354 0.000 2.019 366 A HA -0.140 4.181 4.320 0.001 0.000 0.219 366 A C 1.687 179.208 177.584 -0.106 0.000 1.164 366 A CA 1.570 53.498 52.037 -0.181 0.000 0.644 366 A CB -0.492 18.438 19.000 -0.117 0.000 0.805 366 A HN 0.588 nan 8.150 nan 0.000 0.449 367 E N -0.661 119.486 120.200 -0.090 0.000 2.479 367 E HA 0.251 4.602 4.350 0.001 0.000 0.193 367 E C 1.487 178.121 176.600 0.055 0.000 1.049 367 E CA 0.561 56.958 56.400 -0.005 0.000 0.870 367 E CB -0.616 29.097 29.700 0.022 0.000 0.944 367 E HN 0.612 nan 8.360 nan 0.000 0.492 368 G N 2.598 111.438 108.800 0.066 0.000 2.611 368 G HA2 -0.383 3.578 3.960 0.001 0.000 0.301 368 G HA3 -0.383 3.578 3.960 0.001 0.000 0.301 368 G C 0.571 175.667 174.900 0.325 0.000 1.233 368 G CA 0.538 45.782 45.100 0.240 0.000 0.993 368 G HN 0.250 nan 8.290 nan 0.000 0.553 369 D N 1.516 122.044 120.400 0.215 0.000 2.378 369 D HA 0.198 4.838 4.640 0.001 0.000 0.222 369 D C 2.618 178.985 176.300 0.112 0.000 0.980 369 D CA 1.979 56.069 54.000 0.150 0.000 0.907 369 D CB -0.408 40.445 40.800 0.087 0.000 0.899 369 D HN 0.827 nan 8.370 nan 0.000 0.527 370 K N 0.759 121.224 120.400 0.108 0.000 2.280 370 K HA 0.088 4.408 4.320 0.001 0.000 0.202 370 K C 2.012 178.667 176.600 0.092 0.000 1.047 370 K CA 1.281 57.614 56.287 0.076 0.000 0.942 370 K CB -0.684 31.850 32.500 0.056 0.000 0.739 370 K HN 0.246 nan 8.250 nan 0.000 0.457 371 A N 0.841 123.757 122.820 0.159 0.000 2.067 371 A HA 0.212 4.533 4.320 0.001 0.000 0.217 371 A C 2.113 179.774 177.584 0.129 0.000 1.156 371 A CA 1.365 53.514 52.037 0.187 0.000 0.683 371 A CB -0.367 18.854 19.000 0.367 0.000 0.808 371 A HN 0.880 nan 8.150 nan 0.000 0.455 372 I N -4.096 116.526 120.570 0.086 0.000 4.227 372 I HA 0.288 4.459 4.170 0.001 0.000 0.334 372 I C 0.523 176.640 176.117 0.001 0.000 1.341 372 I CA -0.270 61.040 61.300 0.017 0.000 1.123 372 I CB 0.013 37.987 38.000 -0.043 0.000 1.097 372 I HN 0.129 nan 8.210 nan 0.000 0.399 373 E N 2.832 123.040 120.200 0.015 0.000 2.558 373 E HA 0.158 4.509 4.350 0.001 0.000 0.255 373 E C 1.296 177.888 176.600 -0.014 0.000 0.968 373 E CA 1.092 57.492 56.400 0.001 0.000 0.939 373 E CB 0.177 29.882 29.700 0.008 0.000 0.921 373 E HN 0.593 nan 8.360 nan 0.000 0.477 374 G N 3.342 112.129 108.800 -0.022 0.000 2.155 374 G HA2 -0.301 3.660 3.960 0.001 0.000 0.257 374 G HA3 -0.301 3.660 3.960 0.001 0.000 0.257 374 G C 0.252 175.131 174.900 -0.036 0.000 0.983 374 G CA 0.715 45.797 45.100 -0.029 0.000 0.676 374 G HN 0.815 nan 8.290 nan 0.000 0.528 375 T N -3.332 111.201 114.554 -0.036 0.000 2.940 375 T HA 0.683 5.034 4.350 0.001 0.000 0.288 375 T C 0.561 175.231 174.700 -0.050 0.000 1.033 375 T CA 0.246 62.321 62.100 -0.042 0.000 1.033 375 T CB 2.681 71.528 68.868 -0.034 0.000 1.079 375 T HN 0.003 nan 8.240 nan 0.000 0.496 376 D N 0.573 120.941 120.400 -0.053 0.000 2.468 376 D HA 0.028 4.669 4.640 0.001 0.000 0.243 376 D C 0.926 177.184 176.300 -0.070 0.000 0.994 376 D CA 0.385 54.350 54.000 -0.059 0.000 0.932 376 D CB 0.235 41.003 40.800 -0.053 0.000 1.078 376 D HN 0.746 nan 8.370 nan 0.000 0.473 377 R N -0.806 119.657 120.500 -0.063 0.000 3.922 377 R HA -0.136 4.205 4.340 0.001 0.000 0.447 377 R C 1.526 177.779 176.300 -0.077 0.000 1.035 377 R CA 0.837 56.895 56.100 -0.070 0.000 1.289 377 R CB -2.079 28.162 30.300 -0.098 0.000 1.906 377 R HN 0.044 nan 8.270 nan 0.000 0.540 378 S N 0.008 115.666 115.700 -0.070 0.000 2.469 378 S HA -0.141 4.330 4.470 0.001 0.000 0.238 378 S C 1.760 176.328 174.600 -0.055 0.000 0.998 378 S CA 1.284 59.443 58.200 -0.070 0.000 0.957 378 S CB -0.018 63.146 63.200 -0.061 0.000 0.764 378 S HN 0.649 nan 8.310 nan 0.000 0.514 379 S N 1.156 116.833 115.700 -0.038 0.000 2.481 379 S HA 0.102 4.573 4.470 0.001 0.000 0.231 379 S C 0.601 175.193 174.600 -0.015 0.000 0.996 379 S CA 0.098 58.287 58.200 -0.018 0.000 0.942 379 S CB -0.624 62.577 63.200 0.001 0.000 0.768 379 S HN 0.366 nan 8.310 nan 0.000 0.520 380 L N 1.633 122.836 121.223 -0.033 0.000 2.453 380 L HA 0.301 4.642 4.340 0.001 0.000 0.272 380 L C 1.698 178.537 176.870 -0.051 0.000 1.182 380 L CA -0.162 54.656 54.840 -0.037 0.000 0.858 380 L CB 0.531 42.545 42.059 -0.075 0.000 1.120 380 L HN 0.189 nan 8.230 nan 0.000 0.474 381 R N 2.767 123.253 120.500 -0.023 0.000 2.412 381 R HA 0.397 4.738 4.340 0.001 0.000 0.212 381 R C -0.424 175.869 176.300 -0.012 0.000 0.878 381 R CA 0.038 56.124 56.100 -0.025 0.000 1.022 381 R CB 1.051 31.346 30.300 -0.008 0.000 1.265 381 R HN 0.402 nan 8.270 nan 0.000 0.620 382 I N 1.784 122.363 120.570 0.016 0.000 2.619 382 I HA 0.359 4.530 4.170 0.001 0.000 0.292 382 I C -0.713 175.424 176.117 0.034 0.000 1.100 382 I CA -0.640 60.692 61.300 0.053 0.000 1.043 382 I CB 2.243 40.337 38.000 0.156 0.000 1.239 382 I HN -0.022 nan 8.210 nan 0.000 0.420 383 L N 3.991 125.207 121.223 -0.012 0.000 2.333 383 L HA 0.915 5.256 4.340 0.001 0.000 0.269 383 L C 0.283 177.257 176.870 0.172 0.000 1.010 383 L CA -0.563 54.257 54.840 -0.033 0.000 0.818 383 L CB 2.426 44.213 42.059 -0.454 0.000 1.306 383 L HN 0.736 nan 8.230 nan 0.000 0.430 384 G N -0.151 108.880 108.800 0.385 0.000 2.659 384 G HA2 0.570 4.531 3.960 0.001 0.000 0.296 384 G HA3 0.570 4.531 3.960 0.001 0.000 0.296 384 G C -1.840 173.381 174.900 0.536 0.000 1.369 384 G CA -0.341 45.080 45.100 0.535 0.000 0.937 384 G HN 0.421 nan 8.290 nan 0.000 0.485 385 S N -0.788 115.151 115.700 0.397 0.000 2.541 385 S HA 0.770 5.240 4.470 0.001 0.000 0.280 385 S C -1.414 173.276 174.600 0.150 0.000 1.112 385 S CA -0.612 57.678 58.200 0.149 0.000 0.925 385 S CB 1.853 65.110 63.200 0.095 0.000 1.067 385 S HN 1.494 nan 8.310 nan 0.000 0.479 386 V N 3.790 123.687 119.914 -0.028 0.000 3.012 386 V HA 0.793 4.914 4.120 0.001 0.000 0.307 386 V C 0.663 176.706 176.094 -0.084 0.000 1.166 386 V CA 0.754 63.060 62.300 0.010 0.000 0.974 386 V CB 1.421 33.247 31.823 0.005 0.000 1.040 386 V HN 1.712 nan 8.190 nan 0.000 0.428 387 G N 4.118 112.872 108.800 -0.077 0.000 2.253 387 G HA2 -0.083 3.878 3.960 0.001 0.000 0.209 387 G HA3 -0.083 3.878 3.960 0.001 0.000 0.209 387 G C -0.163 174.669 174.900 -0.113 0.000 0.997 387 G CA 0.443 45.443 45.100 -0.167 0.000 0.640 387 G HN 1.422 nan 8.290 nan 0.000 0.496 388 E N -0.446 119.732 120.200 -0.037 0.000 2.401 388 E HA 0.521 4.872 4.350 0.001 0.000 0.280 388 E C -3.368 173.266 176.600 0.057 0.000 1.039 388 E CA -2.184 54.214 56.400 -0.003 0.000 0.814 388 E CB 1.071 30.739 29.700 -0.053 0.000 1.275 388 E HN 0.061 nan 8.360 nan 0.000 0.448 389 P HA 0.133 nan 4.420 nan 0.000 0.266 389 P C -0.805 176.556 177.300 0.100 0.000 1.195 389 P CA -0.061 63.104 63.100 0.109 0.000 0.768 389 P CB 0.496 32.258 31.700 0.104 0.000 0.838 390 I N 2.830 123.486 120.570 0.142 0.000 2.355 390 I HA 0.208 4.378 4.170 0.001 0.000 0.288 390 I C 0.318 176.550 176.117 0.193 0.000 0.999 390 I CA -0.972 60.426 61.300 0.163 0.000 1.163 390 I CB 0.557 38.689 38.000 0.221 0.000 1.316 390 I HN 0.361 nan 8.210 nan 0.000 0.454 391 N N 8.374 127.169 118.700 0.158 0.000 2.479 391 N HA 0.116 4.856 4.740 0.001 0.000 0.257 391 N C -2.092 173.546 175.510 0.214 0.000 1.232 391 N CA -0.913 52.231 53.050 0.157 0.000 0.920 391 N CB 1.378 39.929 38.487 0.106 0.000 1.105 391 N HN 0.348 nan 8.380 nan 0.000 0.444 392 P HA -0.185 nan 4.420 nan 0.000 0.218 392 P C 0.774 178.240 177.300 0.277 0.000 1.154 392 P CA 1.820 65.032 63.100 0.187 0.000 0.872 392 P CB 0.175 31.940 31.700 0.107 0.000 0.790 393 E N -0.843 119.489 120.200 0.221 0.000 2.106 393 E HA -0.130 4.221 4.350 0.001 0.000 0.192 393 E C 2.105 178.890 176.600 0.309 0.000 0.984 393 E CA 1.172 57.714 56.400 0.237 0.000 0.806 393 E CB -0.508 29.285 29.700 0.154 0.000 0.750 393 E HN 0.180 nan 8.360 nan 0.000 0.458 394 A N 0.748 123.729 122.820 0.269 0.000 1.898 394 A HA -0.175 4.146 4.320 0.001 0.000 0.216 394 A C 1.851 179.691 177.584 0.428 0.000 1.181 394 A CA 1.036 53.236 52.037 0.271 0.000 0.620 394 A CB -0.998 18.087 19.000 0.141 0.000 0.819 394 A HN 0.493 nan 8.150 nan 0.000 0.442 395 W N 1.037 122.477 121.300 0.234 0.000 2.318 395 W HA -0.206 4.454 4.660 -0.000 0.000 0.313 395 W C 2.110 178.821 176.519 0.321 0.000 1.221 395 W CA 1.957 59.464 57.345 0.269 0.000 1.266 395 W CB 0.132 29.693 29.460 0.167 0.000 1.150 395 W HN 0.328 nan 8.180 nan 0.000 0.496 396 E N -0.817 119.839 120.200 0.760 0.000 2.110 396 E HA -0.263 4.087 4.350 0.001 0.000 0.193 396 E C 1.689 178.598 176.600 0.516 0.000 0.988 396 E CA 1.680 58.469 56.400 0.650 0.000 0.804 396 E CB -1.258 28.738 29.700 0.493 0.000 0.745 396 E HN 0.589 nan 8.360 nan 0.000 0.458 397 W N 0.652 122.126 121.300 0.290 0.000 2.355 397 W HA -0.271 4.390 4.660 0.001 0.000 0.309 397 W C 2.270 178.903 176.519 0.190 0.000 1.206 397 W CA 1.537 59.006 57.345 0.207 0.000 1.284 397 W CB -0.471 29.085 29.460 0.159 0.000 1.145 397 W HN 0.088 nan 8.180 nan 0.000 0.502 398 Y N -0.307 120.189 120.300 0.327 0.000 2.097 398 Y HA -0.285 4.265 4.550 0.001 0.000 0.282 398 Y C 2.196 178.001 175.900 -0.159 0.000 1.152 398 Y CA 2.228 60.368 58.100 0.066 0.000 1.136 398 Y CB -1.573 36.923 38.460 0.060 0.000 0.975 398 Y HN 0.182 nan 8.280 nan 0.000 0.498 399 W N 1.622 122.686 121.300 -0.393 0.000 2.338 399 W HA -0.226 4.434 4.660 0.000 0.000 0.304 399 W C 2.579 178.894 176.519 -0.340 0.000 1.212 399 W CA 2.974 60.001 57.345 -0.530 0.000 1.264 399 W CB -0.386 28.705 29.460 -0.616 0.000 1.142 399 W HN 0.100 nan 8.180 nan 0.000 0.512 400 K N 0.001 120.308 120.400 -0.155 0.000 2.044 400 K HA -0.136 4.184 4.320 0.001 0.000 0.204 400 K C 2.093 178.419 176.600 -0.457 0.000 1.049 400 K CA 1.265 57.360 56.287 -0.319 0.000 0.945 400 K CB -0.200 32.285 32.500 -0.024 0.000 0.724 400 K HN -0.094 nan 8.250 nan 0.000 0.440 401 K N 0.487 120.529 120.400 -0.596 0.000 2.099 401 K HA 0.041 4.361 4.320 0.001 0.000 0.203 401 K C 2.148 178.432 176.600 -0.526 0.000 1.047 401 K CA 0.663 56.536 56.287 -0.690 0.000 0.963 401 K CB 0.035 31.748 32.500 -1.310 0.000 0.759 401 K HN 0.211 nan 8.250 nan 0.000 0.451 402 I N 0.111 120.378 120.570 -0.505 0.000 2.400 402 I HA -0.020 4.151 4.170 0.001 0.000 0.248 402 I C 2.145 178.043 176.117 -0.365 0.000 1.109 402 I CA 1.233 62.332 61.300 -0.335 0.000 1.425 402 I CB -1.495 36.388 38.000 -0.195 0.000 1.094 402 I HN 0.092 nan 8.210 nan 0.000 0.425 403 G N 0.178 108.681 108.800 -0.495 0.000 2.880 403 G HA2 -0.088 3.873 3.960 0.001 0.000 0.209 403 G HA3 -0.088 3.873 3.960 0.001 0.000 0.209 403 G C 0.897 175.498 174.900 -0.499 0.000 1.157 403 G CA -0.093 44.706 45.100 -0.501 0.000 0.779 403 G HN 0.387 nan 8.290 nan 0.000 0.539 404 K N 0.040 120.148 120.400 -0.486 0.000 3.016 404 K HA -0.228 4.093 4.320 0.001 0.000 0.262 404 K C 0.497 176.766 176.600 -0.552 0.000 1.043 404 K CA 0.794 56.824 56.287 -0.427 0.000 0.761 404 K CB -1.412 30.915 32.500 -0.288 0.000 1.230 404 K HN 0.642 nan 8.250 nan 0.000 0.485 405 E N -2.418 117.209 120.200 -0.955 0.000 3.170 405 E HA -0.326 4.024 4.350 0.001 0.000 0.284 405 E C 0.335 176.429 176.600 -0.843 0.000 0.967 405 E CA 1.569 57.080 56.400 -1.481 0.000 0.919 405 E CB -0.802 28.358 29.700 -0.900 0.000 1.469 405 E HN 0.572 nan 8.360 nan 0.000 0.444 406 K N -0.550 119.495 120.400 -0.592 0.000 2.380 406 K HA 0.193 4.514 4.320 0.001 0.000 0.198 406 K C 0.071 176.557 176.600 -0.190 0.000 1.070 406 K CA 0.375 56.496 56.287 -0.277 0.000 1.040 406 K CB 0.959 33.334 32.500 -0.210 0.000 0.903 406 K HN 0.063 nan 8.250 nan 0.000 0.549 407 C N 2.714 121.841 119.300 -0.288 0.000 2.322 407 C HA 0.411 4.872 4.460 0.001 0.000 0.324 407 C C -2.458 172.526 174.990 -0.010 0.000 1.284 407 C CA -2.134 56.794 59.018 -0.151 0.000 1.606 407 C CB 0.943 28.550 27.740 -0.220 0.000 2.251 407 C HN 0.148 nan 8.230 nan 0.000 0.502 408 P HA 0.112 nan 4.420 nan 0.000 0.266 408 P C -0.639 176.685 177.300 0.041 0.000 1.195 408 P CA 0.212 63.386 63.100 0.125 0.000 0.768 408 P CB 0.371 32.129 31.700 0.097 0.000 0.838 409 V N 4.493 124.430 119.914 0.038 0.000 2.370 409 V HA 0.206 4.327 4.120 0.001 0.000 0.283 409 V C 0.314 176.475 176.094 0.112 0.000 1.023 409 V CA -0.617 61.659 62.300 -0.040 0.000 0.857 409 V CB 1.559 33.119 31.823 -0.438 0.000 0.985 409 V HN 0.363 nan 8.190 nan 0.000 0.443 410 V N 1.268 121.228 119.914 0.076 0.000 2.318 410 V HA 0.497 4.618 4.120 0.001 0.000 0.271 410 V C -0.161 175.954 176.094 0.035 0.000 1.030 410 V CA -0.542 61.752 62.300 -0.010 0.000 0.844 410 V CB 1.228 32.923 31.823 -0.212 0.000 1.015 410 V HN 0.781 nan 8.190 nan 0.000 0.460 411 D N 5.167 125.622 120.400 0.092 0.000 2.365 411 D HA 0.272 4.913 4.640 0.001 0.000 0.237 411 D C 0.542 176.857 176.300 0.024 0.000 1.190 411 D CA 0.081 54.157 54.000 0.128 0.000 0.867 411 D CB 1.165 42.085 40.800 0.200 0.000 1.050 411 D HN 0.894 nan 8.370 nan 0.000 0.491 412 T N 1.834 116.392 114.554 0.006 0.000 2.781 412 T HA 0.297 4.648 4.350 0.001 0.000 0.305 412 T C -0.271 174.597 174.700 0.279 0.000 1.001 412 T CA -1.021 61.021 62.100 -0.097 0.000 0.950 412 T CB 0.121 68.582 68.868 -0.677 0.000 0.955 412 T HN 0.382 nan 8.240 nan 0.000 0.471 413 W N 8.141 129.530 121.300 0.149 0.000 2.316 413 W HA 0.615 5.274 4.660 -0.000 0.000 0.311 413 W C -0.920 175.867 176.519 0.447 0.000 1.217 413 W CA -0.087 57.393 57.345 0.225 0.000 1.199 413 W CB 0.559 30.081 29.460 0.102 0.000 1.202 413 W HN 0.861 nan 8.180 nan 0.000 0.528 414 W N 4.309 125.040 121.300 -0.949 0.000 2.743 414 W HA 0.510 5.173 4.660 0.003 0.000 0.434 414 W C -1.899 174.183 176.519 -0.728 0.000 1.048 414 W CA -1.051 55.711 57.345 -0.971 0.000 1.170 414 W CB 0.108 29.455 29.460 -0.187 0.000 1.466 414 W HN 0.429 nan 8.180 nan 0.000 0.596 415 Q N -0.450 119.133 119.800 -0.361 0.000 2.590 415 Q HA 0.343 4.684 4.340 0.001 0.000 0.295 415 Q C 0.537 176.506 176.000 -0.052 0.000 0.973 415 Q CA -0.669 54.942 55.803 -0.320 0.000 0.768 415 Q CB 2.717 31.388 28.738 -0.111 0.000 1.479 415 Q HN 0.356 nan 8.270 nan 0.000 0.419 416 T N 0.431 114.975 114.554 -0.017 0.000 2.665 416 T HA -0.196 4.155 4.350 0.001 0.000 0.268 416 T C 1.045 175.979 174.700 0.390 0.000 1.035 416 T CA 2.143 64.368 62.100 0.208 0.000 1.151 416 T CB -0.110 68.868 68.868 0.185 0.000 0.862 416 T HN 0.516 nan 8.240 nan 0.000 0.438 417 E N 0.784 121.130 120.200 0.243 0.000 2.338 417 E HA -0.056 4.294 4.350 0.001 0.000 0.197 417 E C 2.329 179.088 176.600 0.264 0.000 1.007 417 E CA 1.251 57.747 56.400 0.160 0.000 0.849 417 E CB -0.267 29.427 29.700 -0.009 0.000 0.774 417 E HN 0.711 nan 8.360 nan 0.000 0.506 418 T N -4.392 110.422 114.554 0.434 0.000 3.044 418 T HA 0.315 4.665 4.350 0.001 0.000 0.250 418 T C 1.760 176.890 174.700 0.716 0.000 1.081 418 T CA 0.480 62.962 62.100 0.638 0.000 1.040 418 T CB 0.421 69.530 68.868 0.401 0.000 0.962 418 T HN 0.224 nan 8.240 nan 0.000 0.506 419 G N 0.780 110.015 108.800 0.725 0.000 2.609 419 G HA2 -0.038 3.923 3.960 0.001 0.000 0.235 419 G HA3 -0.038 3.923 3.960 0.001 0.000 0.235 419 G C 0.542 175.640 174.900 0.329 0.000 1.177 419 G CA -0.004 45.401 45.100 0.510 0.000 0.707 419 G HN 1.412 nan 8.290 nan 0.000 0.513 420 G N -1.525 107.436 108.800 0.268 0.000 2.721 420 G HA2 0.626 4.586 3.960 0.001 0.000 0.296 420 G HA3 0.626 4.586 3.960 0.001 0.000 0.296 420 G C -0.287 174.459 174.900 -0.256 0.000 1.383 420 G CA -0.676 44.252 45.100 -0.287 0.000 0.788 420 G HN 0.600 nan 8.290 nan 0.000 0.500 421 F N 0.842 120.395 119.950 -0.663 0.000 2.629 421 F HA 0.069 4.596 4.527 -0.001 0.000 0.377 421 F C 1.677 177.392 175.800 -0.142 0.000 1.101 421 F CA -0.173 57.477 58.000 -0.582 0.000 1.301 421 F CB 0.582 39.143 39.000 -0.732 0.000 1.062 421 F HN 0.065 nan 8.300 nan 0.000 0.583 422 M N 2.930 122.666 119.600 0.226 0.000 2.879 422 M HA 0.324 4.805 4.480 0.001 0.000 0.241 422 M C 0.077 176.564 176.300 0.312 0.000 1.523 422 M CA 0.745 56.182 55.300 0.229 0.000 1.195 422 M CB 0.476 33.164 32.600 0.147 0.000 1.277 422 M HN 0.352 nan 8.290 nan 0.000 0.557 423 I N 0.354 121.149 120.570 0.375 0.000 2.447 423 I HA 0.437 4.607 4.170 0.001 0.000 0.287 423 I C -0.491 175.696 176.117 0.118 0.000 1.023 423 I CA -0.276 61.148 61.300 0.207 0.000 1.083 423 I CB 2.208 40.284 38.000 0.127 0.000 1.245 423 I HN 0.046 nan 8.210 nan 0.000 0.434 424 T N 6.566 121.113 114.554 -0.012 0.000 2.977 424 T HA 0.407 4.758 4.350 0.001 0.000 0.345 424 T C -2.957 171.628 174.700 -0.192 0.000 1.562 424 T CA -1.047 60.977 62.100 -0.128 0.000 1.090 424 T CB 2.090 70.807 68.868 -0.251 0.000 1.383 424 T HN 0.155 nan 8.240 nan 0.000 0.484 425 P HA 0.513 nan 4.420 nan 0.000 0.274 425 P C -1.139 176.040 177.300 -0.202 0.000 1.237 425 P CA -0.547 62.412 63.100 -0.234 0.000 0.793 425 P CB 0.424 32.035 31.700 -0.148 0.000 0.977 426 L N 4.151 125.254 121.223 -0.201 0.000 2.313 426 L HA 0.380 4.721 4.340 0.001 0.000 0.283 426 L C -1.344 175.486 176.870 -0.066 0.000 1.013 426 L CA -1.851 52.926 54.840 -0.105 0.000 0.816 426 L CB 1.306 43.325 42.059 -0.068 0.000 1.236 426 L HN 0.298 nan 8.230 nan 0.000 0.419 427 P HA -0.091 nan 4.420 nan 0.000 0.218 427 P C 1.032 178.356 177.300 0.040 0.000 1.149 427 P CA 1.086 64.199 63.100 0.021 0.000 0.817 427 P CB 0.411 32.138 31.700 0.044 0.000 0.785 428 G N -1.318 107.510 108.800 0.046 0.000 3.088 428 G HA2 0.281 4.242 3.960 0.001 0.000 0.217 428 G HA3 0.281 4.242 3.960 0.001 0.000 0.217 428 G C 1.268 176.191 174.900 0.039 0.000 1.159 428 G CA 0.629 45.761 45.100 0.053 0.000 0.760 428 G HN 0.370 nan 8.290 nan 0.000 0.550 429 A N -0.143 122.680 122.820 0.006 0.000 2.026 429 A HA 0.596 4.917 4.320 0.001 0.000 0.201 429 A C 0.537 178.078 177.584 -0.071 0.000 1.318 429 A CA 0.224 52.251 52.037 -0.016 0.000 0.857 429 A CB 0.481 19.468 19.000 -0.022 0.000 0.939 429 A HN 0.208 nan 8.150 nan 0.000 0.476 430 I N 1.397 121.903 120.570 -0.106 0.000 2.418 430 I HA 0.226 4.397 4.170 0.001 0.000 0.287 430 I C -0.857 175.255 176.117 -0.008 0.000 1.008 430 I CA -0.465 60.759 61.300 -0.126 0.000 1.104 430 I CB 2.009 39.819 38.000 -0.317 0.000 1.264 430 I HN 0.208 nan 8.210 nan 0.000 0.438 431 E N 6.370 126.613 120.200 0.072 0.000 2.360 431 E HA 0.306 4.657 4.350 0.001 0.000 0.269 431 E C -0.915 175.780 176.600 0.159 0.000 1.022 431 E CA -0.310 56.156 56.400 0.109 0.000 0.887 431 E CB 1.049 30.800 29.700 0.084 0.000 0.990 431 E HN 0.404 nan 8.360 nan 0.000 0.426 432 L N 3.038 124.342 121.223 0.135 0.000 2.334 432 L HA 0.365 4.706 4.340 0.001 0.000 0.277 432 L C 0.226 177.081 176.870 -0.026 0.000 1.075 432 L CA -0.464 54.434 54.840 0.097 0.000 0.804 432 L CB 0.597 42.760 42.059 0.173 0.000 1.174 432 L HN 0.295 nan 8.230 nan 0.000 0.438 433 K N 2.158 122.467 120.400 -0.152 0.000 2.358 433 K HA 0.535 4.856 4.320 0.001 0.000 0.260 433 K C -0.504 175.677 176.600 -0.698 0.000 0.956 433 K CA -0.702 55.397 56.287 -0.313 0.000 0.834 433 K CB 2.089 34.478 32.500 -0.185 0.000 1.102 433 K HN 0.690 nan 8.250 nan 0.000 0.431 434 A N 1.966 124.211 122.820 -0.959 0.000 2.526 434 A HA 0.337 4.658 4.320 0.001 0.000 0.267 434 A C 1.244 178.490 177.584 -0.562 0.000 1.095 434 A CA 1.215 52.378 52.037 -1.456 0.000 0.775 434 A CB -0.962 17.523 19.000 -0.859 0.000 1.036 434 A HN 1.030 nan 8.150 nan 0.000 0.510 435 G N 1.306 109.791 108.800 -0.526 0.000 2.194 435 G HA2 -0.161 3.799 3.960 0.001 0.000 0.236 435 G HA3 -0.161 3.799 3.960 0.001 0.000 0.236 435 G C 0.525 175.300 174.900 -0.208 0.000 0.987 435 G CA 0.433 45.519 45.100 -0.025 0.000 0.635 435 G HN 1.693 nan 8.290 nan 0.000 0.520 436 S N 0.165 115.418 115.700 -0.745 0.000 2.489 436 S HA 0.722 5.192 4.470 0.001 0.000 0.291 436 S C 1.380 175.717 174.600 -0.438 0.000 1.151 436 S CA 0.695 58.275 58.200 -1.034 0.000 1.082 436 S CB 1.404 63.571 63.200 -1.722 0.000 1.019 436 S HN 1.492 nan 8.310 nan 0.000 0.492 437 A N 3.721 126.369 122.820 -0.285 0.000 2.167 437 A HA 0.255 4.576 4.320 0.001 0.000 0.214 437 A C 1.456 178.904 177.584 -0.228 0.000 1.151 437 A CA 1.460 53.418 52.037 -0.132 0.000 0.735 437 A CB -1.358 17.654 19.000 0.019 0.000 0.802 437 A HN 1.933 nan 8.150 nan 0.000 0.467 438 T N -2.574 111.755 114.554 -0.374 0.000 14.129 438 T HA -0.268 4.082 4.350 0.001 0.000 0.419 438 T C 0.248 174.689 174.700 -0.431 0.000 1.441 438 T CA 1.202 62.897 62.100 -0.676 0.000 2.333 438 T CB -1.122 67.236 68.868 -0.849 0.000 2.760 438 T HN 0.714 nan 8.240 nan 0.000 0.274 439 R N 2.682 122.922 120.500 -0.433 0.000 2.668 439 R HA 0.644 4.985 4.340 0.001 0.000 0.279 439 R C -2.514 173.728 176.300 -0.097 0.000 0.976 439 R CA -2.165 53.787 56.100 -0.246 0.000 0.978 439 R CB 1.430 31.489 30.300 -0.401 0.000 1.133 439 R HN 0.569 nan 8.270 nan 0.000 0.484 440 P HA -0.058 nan 4.420 nan 0.000 0.269 440 P C -0.587 176.830 177.300 0.196 0.000 1.209 440 P CA 0.044 63.195 63.100 0.084 0.000 0.776 440 P CB 0.423 32.200 31.700 0.128 0.000 0.876 441 F N 2.729 122.755 119.950 0.128 0.000 2.435 441 F HA 0.251 4.783 4.527 0.008 0.000 0.316 441 F C 0.551 176.536 175.800 0.308 0.000 1.220 441 F CA -0.324 57.726 58.000 0.084 0.000 1.241 441 F CB 0.017 39.072 39.000 0.093 0.000 1.234 441 F HN 0.185 nan 8.300 nan 0.000 0.569 442 F N 2.505 122.184 119.950 -0.451 0.000 2.612 442 F HA 0.235 4.767 4.527 0.007 0.000 0.389 442 F C 1.451 177.410 175.800 0.266 0.000 1.055 442 F CA 0.657 58.475 58.000 -0.302 0.000 1.232 442 F CB -0.332 38.266 39.000 -0.670 0.000 1.044 442 F HN 0.730 nan 8.300 nan 0.000 0.560 443 G N 1.833 110.803 108.800 0.283 0.000 2.199 443 G HA2 -0.259 3.702 3.960 0.001 0.000 0.254 443 G HA3 -0.259 3.702 3.960 0.001 0.000 0.254 443 G C -0.336 174.845 174.900 0.468 0.000 0.982 443 G CA -0.102 45.338 45.100 0.566 0.000 0.632 443 G HN 0.577 nan 8.290 nan 0.000 0.529 444 V N 1.630 121.793 119.914 0.415 0.000 2.350 444 V HA 0.497 4.618 4.120 0.001 0.000 0.276 444 V C 0.195 176.486 176.094 0.328 0.000 1.028 444 V CA -0.284 62.203 62.300 0.311 0.000 0.860 444 V CB 1.513 33.480 31.823 0.241 0.000 0.990 444 V HN 0.389 nan 8.190 nan 0.000 0.453 445 Q N 6.975 126.943 119.800 0.281 0.000 2.506 445 Q HA 0.345 4.685 4.340 0.001 0.000 0.242 445 Q C -2.555 173.576 176.000 0.218 0.000 1.060 445 Q CA -1.685 54.280 55.803 0.271 0.000 0.826 445 Q CB 2.021 30.909 28.738 0.249 0.000 1.169 445 Q HN 0.512 nan 8.270 nan 0.000 0.521 446 P HA 0.476 nan 4.420 nan 0.000 0.278 446 P C -1.081 176.292 177.300 0.121 0.000 1.258 446 P CA -0.301 62.818 63.100 0.031 0.000 0.811 446 P CB 1.507 33.013 31.700 -0.322 0.000 1.063 447 A N 1.355 124.243 122.820 0.113 0.000 2.606 447 A HA 0.692 5.013 4.320 0.001 0.000 0.293 447 A C -1.542 176.101 177.584 0.100 0.000 1.082 447 A CA -0.713 51.410 52.037 0.143 0.000 0.685 447 A CB 0.964 20.033 19.000 0.114 0.000 1.284 447 A HN 0.417 nan 8.150 nan 0.000 0.408 448 L N 1.531 122.807 121.223 0.088 0.000 2.333 448 L HA 0.720 5.061 4.340 0.001 0.000 0.280 448 L C -0.362 176.466 176.870 -0.070 0.000 1.004 448 L CA -1.056 53.796 54.840 0.021 0.000 0.820 448 L CB 1.674 43.775 42.059 0.069 0.000 1.247 448 L HN 0.715 nan 8.230 nan 0.000 0.416 449 V N -1.373 118.418 119.914 -0.205 0.000 2.914 449 V HA 0.625 4.745 4.120 0.001 0.000 0.314 449 V C -0.617 175.318 176.094 -0.265 0.000 1.084 449 V CA -0.930 61.194 62.300 -0.294 0.000 0.963 449 V CB 1.955 33.419 31.823 -0.597 0.000 1.025 449 V HN 0.756 nan 8.190 nan 0.000 0.432 450 D N 1.838 122.142 120.400 -0.160 0.000 2.414 450 D HA 0.146 4.786 4.640 0.001 0.000 0.251 450 D C 0.699 176.946 176.300 -0.088 0.000 1.252 450 D CA -0.426 53.520 54.000 -0.088 0.000 0.999 450 D CB 0.143 40.939 40.800 -0.007 0.000 1.093 450 D HN 0.420 nan 8.370 nan 0.000 0.515 451 N N -0.583 118.115 118.700 -0.004 0.000 2.443 451 N HA -0.108 4.633 4.740 0.001 0.000 0.184 451 N C 0.611 176.163 175.510 0.070 0.000 1.037 451 N CA 0.647 53.742 53.050 0.073 0.000 0.896 451 N CB -0.087 38.419 38.487 0.032 0.000 0.959 451 N HN 0.465 nan 8.380 nan 0.000 0.442 452 E N -0.986 119.166 120.200 -0.079 0.000 2.479 452 E HA 0.241 4.592 4.350 0.001 0.000 0.193 452 E C 1.144 177.588 176.600 -0.260 0.000 1.049 452 E CA 0.251 56.512 56.400 -0.232 0.000 0.870 452 E CB 0.072 29.504 29.700 -0.447 0.000 0.944 452 E HN 0.288 nan 8.360 nan 0.000 0.492 453 G N 0.674 109.417 108.800 -0.096 0.000 2.175 453 G HA2 -0.285 3.676 3.960 0.001 0.000 0.244 453 G HA3 -0.285 3.676 3.960 0.001 0.000 0.244 453 G C -0.313 174.516 174.900 -0.117 0.000 0.982 453 G CA -0.122 44.949 45.100 -0.048 0.000 0.641 453 G HN 0.484 nan 8.290 nan 0.000 0.527 454 H N 1.593 120.643 119.070 -0.034 0.000 2.819 454 H HA 0.389 4.945 4.556 0.001 0.000 0.303 454 H C -2.226 173.064 175.328 -0.064 0.000 1.058 454 H CA -1.731 54.299 56.048 -0.030 0.000 1.471 454 H CB 0.904 30.659 29.762 -0.012 0.000 1.480 454 H HN 0.139 nan 8.280 nan 0.000 0.517 455 P HA -0.046 nan 4.420 nan 0.000 0.267 455 P C -0.598 176.723 177.300 0.035 0.000 1.205 455 P CA -0.027 63.090 63.100 0.027 0.000 0.765 455 P CB 0.663 32.389 31.700 0.044 0.000 0.828 456 Q N 2.764 122.574 119.800 0.017 0.000 2.314 456 Q HA 0.286 4.626 4.340 0.001 0.000 0.259 456 Q C 0.137 176.148 176.000 0.018 0.000 0.951 456 Q CA -0.350 55.463 55.803 0.016 0.000 0.909 456 Q CB 1.483 30.224 28.738 0.005 0.000 1.236 456 Q HN 0.428 nan 8.270 nan 0.000 0.444 457 E N 0.661 120.869 120.200 0.014 0.000 2.250 457 E HA 0.633 4.984 4.350 0.001 0.000 0.269 457 E C 0.635 177.235 176.600 -0.000 0.000 1.018 457 E CA -0.253 56.155 56.400 0.014 0.000 0.873 457 E CB 1.362 31.071 29.700 0.015 0.000 1.134 457 E HN 0.744 nan 8.360 nan 0.000 0.403 458 G N 1.215 110.014 108.800 -0.003 0.000 2.598 458 G HA2 -0.160 3.801 3.960 0.001 0.000 0.244 458 G HA3 -0.160 3.801 3.960 0.001 0.000 0.244 458 G C -0.235 174.643 174.900 -0.037 0.000 1.302 458 G CA -0.311 44.779 45.100 -0.017 0.000 0.903 458 G HN 0.777 nan 8.290 nan 0.000 0.575 459 A N -0.197 122.597 122.820 -0.043 0.000 2.444 459 A HA 0.722 5.043 4.320 0.001 0.000 0.273 459 A C 0.695 178.248 177.584 -0.052 0.000 1.136 459 A CA 1.833 53.836 52.037 -0.057 0.000 0.799 459 A CB 0.297 19.262 19.000 -0.059 0.000 1.081 459 A HN 2.253 nan 8.150 nan 0.000 0.509 460 T N 0.993 115.515 114.554 -0.054 0.000 2.677 460 T HA 0.515 4.866 4.350 0.001 0.000 0.305 460 T C -1.640 173.042 174.700 -0.031 0.000 1.569 460 T CA -0.169 61.908 62.100 -0.039 0.000 0.984 460 T CB 1.084 69.938 68.868 -0.023 0.000 1.629 460 T HN 0.920 nan 8.240 nan 0.000 0.494 461 E N 0.365 120.555 120.200 -0.017 0.000 2.369 461 E HA 0.773 5.124 4.350 0.001 0.000 0.270 461 E C -0.202 176.401 176.600 0.006 0.000 0.909 461 E CA -1.006 55.394 56.400 -0.000 0.000 0.775 461 E CB 2.073 31.770 29.700 -0.006 0.000 1.270 461 E HN 1.029 nan 8.360 nan 0.000 0.445 462 G N 0.989 109.800 108.800 0.018 0.000 2.348 462 G HA2 0.116 4.076 3.960 0.001 0.000 0.296 462 G HA3 0.116 4.076 3.960 0.001 0.000 0.296 462 G C -1.389 173.524 174.900 0.021 0.000 1.258 462 G CA -1.021 44.080 45.100 0.002 0.000 0.868 462 G HN 0.469 nan 8.290 nan 0.000 0.488 463 N N 0.728 119.413 118.700 -0.024 0.000 2.452 463 N HA 0.233 4.974 4.740 0.001 0.000 0.266 463 N C -0.513 175.018 175.510 0.036 0.000 1.175 463 N CA -0.191 52.886 53.050 0.044 0.000 0.945 463 N CB 1.924 40.314 38.487 -0.162 0.000 1.063 463 N HN 0.407 nan 8.380 nan 0.000 0.472 464 L N 4.658 125.984 121.223 0.173 0.000 2.315 464 L HA 0.237 4.577 4.340 0.001 0.000 0.283 464 L C -0.203 176.792 176.870 0.208 0.000 1.089 464 L CA -0.421 54.471 54.840 0.086 0.000 0.833 464 L CB 0.349 42.355 42.059 -0.089 0.000 1.170 464 L HN 0.309 nan 8.230 nan 0.000 0.442 465 V N 3.720 123.719 119.914 0.142 0.000 3.046 465 V HA 0.680 4.801 4.120 0.001 0.000 0.316 465 V C -0.366 175.888 176.094 0.267 0.000 1.104 465 V CA -0.886 61.556 62.300 0.235 0.000 1.006 465 V CB 2.208 34.113 31.823 0.137 0.000 1.058 465 V HN 0.516 nan 8.190 nan 0.000 0.440 466 I N 2.736 123.564 120.570 0.431 0.000 2.406 466 I HA 0.392 4.563 4.170 0.001 0.000 0.290 466 I C 1.123 177.609 176.117 0.614 0.000 0.999 466 I CA 0.045 61.630 61.300 0.473 0.000 1.124 466 I CB 1.612 39.914 38.000 0.504 0.000 1.289 466 I HN 0.993 nan 8.210 nan 0.000 0.441 467 T N -0.290 114.559 114.554 0.492 0.000 3.086 467 T HA 0.178 4.529 4.350 0.001 0.000 0.250 467 T C 0.329 175.289 174.700 0.434 0.000 1.074 467 T CA 0.145 62.524 62.100 0.465 0.000 0.988 467 T CB 0.305 69.348 68.868 0.292 0.000 0.988 467 T HN 0.536 nan 8.240 nan 0.000 0.530 468 D N -0.110 120.575 120.400 0.475 0.000 2.615 468 D HA 0.438 5.079 4.640 0.001 0.000 0.267 468 D C -1.126 175.414 176.300 0.400 0.000 1.236 468 D CA -0.484 53.605 54.000 0.149 0.000 0.839 468 D CB 2.321 43.203 40.800 0.138 0.000 1.380 468 D HN 0.043 nan 8.370 nan 0.000 0.433 469 S N -0.025 115.717 115.700 0.070 0.000 2.624 469 S HA 0.695 5.165 4.470 0.001 0.000 0.263 469 S C -0.993 173.970 174.600 0.605 0.000 1.287 469 S CA -0.380 58.022 58.200 0.336 0.000 0.990 469 S CB 0.283 63.570 63.200 0.144 0.000 0.950 469 S HN 0.357 nan 8.310 nan 0.000 0.561 470 W N 0.938 122.329 121.300 0.151 0.000 3.167 470 W HA 0.524 5.184 4.660 0.000 0.000 0.324 470 W C -2.973 172.862 176.519 -1.140 0.000 1.230 470 W CA -1.871 55.228 57.345 -0.410 0.000 1.184 470 W CB 0.032 29.303 29.460 -0.315 0.000 1.414 470 W HN 0.337 nan 8.180 nan 0.000 0.551 471 P HA -0.065 nan 4.420 nan 0.000 0.218 471 P C 1.653 178.359 177.300 -0.990 0.000 1.148 471 P CA 2.703 64.573 63.100 -2.051 0.000 0.822 471 P CB 0.081 30.840 31.700 -1.567 0.000 0.784 472 G N -1.099 107.189 108.800 -0.854 0.000 2.920 472 G HA2 -0.118 3.843 3.960 0.001 0.000 0.208 472 G HA3 -0.118 3.843 3.960 0.001 0.000 0.208 472 G C 0.572 175.382 174.900 -0.151 0.000 1.159 472 G CA -0.139 44.774 45.100 -0.311 0.000 0.784 472 G HN 0.292 nan 8.290 nan 0.000 0.535 473 Q N 0.803 120.155 119.800 -0.747 0.000 2.330 473 Q HA 0.418 4.758 4.340 0.001 0.000 0.279 473 Q C 0.560 176.416 176.000 -0.240 0.000 1.024 473 Q CA -0.467 54.915 55.803 -0.701 0.000 0.900 473 Q CB 0.588 28.518 28.738 -1.346 0.000 1.221 473 Q HN 0.233 nan 8.270 nan 0.000 0.396 474 A N 4.209 126.904 122.820 -0.208 0.000 2.531 474 A HA -0.001 4.320 4.320 0.001 0.000 0.236 474 A C 0.485 177.891 177.584 -0.297 0.000 1.062 474 A CA -0.123 51.601 52.037 -0.522 0.000 0.760 474 A CB 0.380 19.088 19.000 -0.486 0.000 0.995 474 A HN 0.890 nan 8.150 nan 0.000 0.501 475 R N 0.347 120.587 120.500 -0.433 0.000 2.189 475 R HA 0.157 4.498 4.340 0.001 0.000 0.203 475 R C 0.637 176.454 176.300 -0.805 0.000 1.012 475 R CA 1.185 57.054 56.100 -0.385 0.000 1.015 475 R CB -0.391 29.760 30.300 -0.247 0.000 0.938 475 R HN 0.816 nan 8.270 nan 0.000 0.472 476 T N -0.877 113.045 114.554 -1.054 0.000 2.677 476 T HA 0.461 4.811 4.350 0.001 0.000 0.305 476 T C -1.787 172.542 174.700 -0.620 0.000 1.569 476 T CA -0.648 60.705 62.100 -1.246 0.000 0.984 476 T CB 0.676 69.328 68.868 -0.361 0.000 1.629 476 T HN -0.068 nan 8.240 nan 0.000 0.494 477 L N 2.304 123.416 121.223 -0.186 0.000 2.295 477 L HA 0.572 4.913 4.340 0.001 0.000 0.285 477 L C -0.098 176.793 176.870 0.034 0.000 1.035 477 L CA -0.983 53.886 54.840 0.049 0.000 0.806 477 L CB 1.073 43.262 42.059 0.217 0.000 1.214 477 L HN 0.685 nan 8.230 nan 0.000 0.426 478 F N 3.235 123.132 119.950 -0.088 0.000 2.569 478 F HA 0.174 4.702 4.527 0.001 0.000 0.395 478 F C 1.345 177.143 175.800 -0.003 0.000 1.028 478 F CA 1.031 58.991 58.000 -0.067 0.000 1.158 478 F CB 0.193 39.144 39.000 -0.081 0.000 1.023 478 F HN 0.755 nan 8.300 nan 0.000 0.547 479 G N 4.013 112.403 108.800 -0.682 0.000 2.168 479 G HA2 -0.315 3.646 3.960 0.001 0.000 0.257 479 G HA3 -0.315 3.646 3.960 0.001 0.000 0.257 479 G C -0.051 174.747 174.900 -0.169 0.000 0.997 479 G CA 0.435 45.228 45.100 -0.511 0.000 0.708 479 G HN 0.848 nan 8.290 nan 0.000 0.520 480 D N -1.676 118.686 120.400 -0.064 0.000 2.978 480 D HA 0.247 4.887 4.640 0.001 0.000 0.268 480 D C 0.806 177.171 176.300 0.109 0.000 1.252 480 D CA -0.502 53.519 54.000 0.035 0.000 0.771 480 D CB -0.136 40.701 40.800 0.061 0.000 1.361 480 D HN 0.264 nan 8.370 nan 0.000 0.558 481 H N 0.943 120.024 119.070 0.018 0.000 2.457 481 H HA 0.044 4.600 4.556 0.001 0.000 0.294 481 H C 1.429 176.865 175.328 0.179 0.000 1.064 481 H CA 1.862 57.962 56.048 0.087 0.000 1.330 481 H CB 0.673 30.439 29.762 0.006 0.000 1.395 481 H HN 0.301 nan 8.280 nan 0.000 0.541 482 E N -0.024 120.259 120.200 0.138 0.000 2.106 482 E HA -0.176 4.175 4.350 0.001 0.000 0.192 482 E C 2.248 178.885 176.600 0.062 0.000 0.984 482 E CA 0.602 57.053 56.400 0.085 0.000 0.806 482 E CB 0.006 29.751 29.700 0.075 0.000 0.750 482 E HN 0.406 nan 8.360 nan 0.000 0.458 483 R N 0.191 120.739 120.500 0.080 0.000 2.092 483 R HA -0.135 4.205 4.340 0.001 0.000 0.231 483 R C 2.203 178.568 176.300 0.108 0.000 1.119 483 R CA 0.808 56.950 56.100 0.069 0.000 0.970 483 R CB -0.234 30.110 30.300 0.073 0.000 0.864 483 R HN 0.134 nan 8.270 nan 0.000 0.440 484 F N 2.220 122.178 119.950 0.014 0.000 2.091 484 F HA -0.224 4.303 4.527 0.001 0.000 0.299 484 F C 1.845 177.771 175.800 0.210 0.000 1.103 484 F CA 1.972 60.050 58.000 0.130 0.000 1.228 484 F CB -0.165 38.828 39.000 -0.010 0.000 0.984 484 F HN 0.080 nan 8.300 nan 0.000 0.477 485 E N -0.237 119.995 120.200 0.054 0.000 2.038 485 E HA -0.288 4.063 4.350 0.001 0.000 0.195 485 E C 2.208 178.847 176.600 0.065 0.000 1.000 485 E CA 1.723 58.159 56.400 0.060 0.000 0.803 485 E CB -0.438 29.267 29.700 0.009 0.000 0.750 485 E HN 0.617 nan 8.360 nan 0.000 0.448 486 Q N 0.090 119.890 119.800 0.001 0.000 2.084 486 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 486 Q C 2.315 178.231 176.000 -0.139 0.000 0.978 486 Q CA 1.818 57.594 55.803 -0.046 0.000 0.844 486 Q CB -0.141 28.573 28.738 -0.039 0.000 0.898 486 Q HN 0.244 nan 8.270 nan 0.000 0.426 487 T N -0.256 114.149 114.554 -0.250 0.000 2.737 487 T HA -0.136 4.215 4.350 0.001 0.000 0.265 487 T C 1.177 175.470 174.700 -0.679 0.000 1.038 487 T CA 1.394 63.172 62.100 -0.537 0.000 1.144 487 T CB -0.202 68.166 68.868 -0.832 0.000 0.866 487 T HN 0.357 nan 8.240 nan 0.000 0.434 488 Y N -1.495 118.600 120.300 -0.341 0.000 2.498 488 Y HA 0.391 4.942 4.550 0.002 0.000 0.259 488 Y C 1.110 176.522 175.900 -0.812 0.000 1.086 488 Y CA -0.274 57.410 58.100 -0.694 0.000 1.287 488 Y CB 0.472 38.326 38.460 -1.009 0.000 1.146 488 Y HN 0.139 nan 8.280 nan 0.000 0.523 489 F N -1.588 118.300 119.950 -0.104 0.000 2.724 489 F HA 0.170 4.698 4.527 0.000 0.000 0.310 489 F C 1.767 177.540 175.800 -0.045 0.000 1.107 489 F CA 0.020 57.976 58.000 -0.074 0.000 1.218 489 F CB 0.465 39.397 39.000 -0.113 0.000 1.042 489 F HN -0.051 nan 8.300 nan 0.000 0.540 490 S N -2.071 113.647 115.700 0.031 0.000 2.497 490 S HA -0.017 4.454 4.470 0.001 0.000 0.221 490 S C 1.701 176.224 174.600 -0.129 0.000 1.037 490 S CA 0.715 58.902 58.200 -0.021 0.000 0.920 490 S CB -0.491 62.685 63.200 -0.040 0.000 0.800 490 S HN 0.133 nan 8.310 nan 0.000 0.505 491 T N 1.588 115.995 114.554 -0.245 0.000 2.737 491 T HA 0.188 4.539 4.350 0.001 0.000 0.265 491 T C -0.138 174.073 174.700 -0.815 0.000 1.038 491 T CA 0.940 62.679 62.100 -0.601 0.000 1.144 491 T CB -0.400 67.980 68.868 -0.814 0.000 0.866 491 T HN 0.491 nan 8.240 nan 0.000 0.434 492 F N 1.715 121.599 119.950 -0.110 0.000 2.500 492 F HA 0.381 4.910 4.527 0.002 0.000 0.349 492 F C 0.020 175.840 175.800 0.033 0.000 1.127 492 F CA -1.482 56.471 58.000 -0.079 0.000 0.998 492 F CB 1.091 40.003 39.000 -0.146 0.000 1.237 492 F HN -0.402 nan 8.300 nan 0.000 0.439 493 K N 2.893 123.406 120.400 0.190 0.000 2.448 493 K HA 0.010 4.331 4.320 0.001 0.000 0.278 493 K C 0.722 177.470 176.600 0.247 0.000 1.009 493 K CA 0.251 56.648 56.287 0.183 0.000 0.995 493 K CB 0.280 32.857 32.500 0.129 0.000 0.917 493 K HN 0.722 nan 8.250 nan 0.000 0.481 494 N N 0.618 119.499 118.700 0.302 0.000 2.800 494 N HA -0.191 4.550 4.740 0.001 0.000 0.250 494 N C -0.885 174.956 175.510 0.552 0.000 1.078 494 N CA 1.076 54.361 53.050 0.392 0.000 0.804 494 N CB -0.555 38.095 38.487 0.271 0.000 1.135 494 N HN 0.577 nan 8.380 nan 0.000 0.565 495 M N -0.086 119.819 119.600 0.507 0.000 2.501 495 M HA 0.222 4.703 4.480 0.001 0.000 0.293 495 M C -0.568 175.889 176.300 0.261 0.000 1.192 495 M CA -0.735 54.861 55.300 0.493 0.000 0.886 495 M CB 2.296 35.108 32.600 0.355 0.000 1.710 495 M HN 0.081 nan 8.290 nan 0.000 0.457 496 Y N 2.606 122.916 120.300 0.017 0.000 2.404 496 Y HA 0.391 4.942 4.550 0.002 0.000 0.344 496 Y C -1.416 174.530 175.900 0.076 0.000 0.995 496 Y CA -0.483 57.401 58.100 -0.361 0.000 1.201 496 Y CB 0.418 38.738 38.460 -0.234 0.000 1.151 496 Y HN 0.488 nan 8.280 nan 0.000 0.517 497 F N 6.518 126.034 119.950 -0.723 0.000 2.371 497 F HA 0.247 4.774 4.527 0.001 0.000 0.363 497 F C 1.210 176.645 175.800 -0.607 0.000 1.122 497 F CA -1.136 56.634 58.000 -0.384 0.000 1.129 497 F CB 0.849 39.797 39.000 -0.086 0.000 1.173 497 F HN 0.631 nan 8.300 nan 0.000 0.489 498 S N 3.588 119.070 115.700 -0.363 0.000 2.447 498 S HA 0.083 4.554 4.470 0.001 0.000 0.233 498 S C 1.759 176.089 174.600 -0.450 0.000 1.006 498 S CA 0.700 58.788 58.200 -0.187 0.000 0.957 498 S CB -0.776 62.650 63.200 0.376 0.000 0.773 498 S HN 1.736 nan 8.310 nan 0.000 0.507 499 G N 0.720 108.748 108.800 -1.288 0.000 2.179 499 G HA2 -0.199 3.762 3.960 0.001 0.000 0.260 499 G HA3 -0.199 3.762 3.960 0.001 0.000 0.260 499 G C -0.332 174.385 174.900 -0.304 0.000 0.977 499 G CA 0.312 44.778 45.100 -1.058 0.000 0.641 499 G HN 0.573 nan 8.290 nan 0.000 0.533 500 D N 0.360 120.711 120.400 -0.082 0.000 2.229 500 D HA 0.578 5.219 4.640 0.001 0.000 0.249 500 D C 0.821 177.195 176.300 0.123 0.000 1.027 500 D CA 0.702 54.744 54.000 0.070 0.000 0.923 500 D CB 1.403 42.269 40.800 0.111 0.000 1.174 500 D HN 0.361 nan 8.370 nan 0.000 0.443 501 G N -0.782 108.074 108.800 0.092 0.000 2.462 501 G HA2 0.657 4.618 3.960 0.001 0.000 0.319 501 G HA3 0.657 4.618 3.960 0.001 0.000 0.319 501 G C -1.157 173.762 174.900 0.031 0.000 1.171 501 G CA -0.418 44.733 45.100 0.085 0.000 0.920 501 G HN 0.534 nan 8.290 nan 0.000 0.499 502 A N 0.630 123.478 122.820 0.046 0.000 2.604 502 A HA 0.799 5.120 4.320 0.001 0.000 0.295 502 A C -0.379 177.264 177.584 0.098 0.000 1.067 502 A CA -0.821 51.259 52.037 0.071 0.000 0.683 502 A CB 1.529 20.566 19.000 0.062 0.000 1.281 502 A HN 1.169 nan 8.150 nan 0.000 0.407 503 R N 1.016 121.593 120.500 0.127 0.000 2.604 503 R HA 0.803 5.143 4.340 0.001 0.000 0.287 503 R C -0.559 175.795 176.300 0.090 0.000 0.970 503 R CA -0.645 55.500 56.100 0.075 0.000 0.946 503 R CB 1.540 31.838 30.300 -0.003 0.000 1.127 503 R HN 0.732 nan 8.270 nan 0.000 0.473 504 R N 1.946 122.412 120.500 -0.056 0.000 2.494 504 R HA 0.174 4.515 4.340 0.001 0.000 0.305 504 R C -0.986 175.269 176.300 -0.074 0.000 0.959 504 R CA -0.631 55.338 56.100 -0.219 0.000 0.864 504 R CB 1.157 31.167 30.300 -0.484 0.000 1.159 504 R HN 0.926 nan 8.270 nan 0.000 0.446 505 D N 2.165 122.583 120.400 0.029 0.000 2.506 505 D HA 0.060 4.701 4.640 0.001 0.000 0.272 505 D C 0.319 176.606 176.300 -0.022 0.000 1.214 505 D CA -0.448 53.562 54.000 0.017 0.000 1.067 505 D CB 0.566 41.432 40.800 0.110 0.000 1.117 505 D HN 0.428 nan 8.370 nan 0.000 0.578 506 E N -0.868 119.309 120.200 -0.038 0.000 2.265 506 E HA -0.082 4.269 4.350 0.001 0.000 0.196 506 E C 0.791 177.374 176.600 -0.029 0.000 0.996 506 E CA 0.999 57.374 56.400 -0.041 0.000 0.832 506 E CB -0.120 29.549 29.700 -0.052 0.000 0.756 506 E HN 0.382 nan 8.360 nan 0.000 0.491 507 D N -0.968 119.412 120.400 -0.033 0.000 2.355 507 D HA 0.062 4.703 4.640 0.001 0.000 0.218 507 D C 1.061 177.435 176.300 0.124 0.000 1.004 507 D CA 0.907 54.906 54.000 -0.001 0.000 0.880 507 D CB 0.515 41.209 40.800 -0.177 0.000 0.911 507 D HN 0.297 nan 8.370 nan 0.000 0.528 508 G N 0.528 109.370 108.800 0.071 0.000 2.141 508 G HA2 -0.286 3.675 3.960 0.001 0.000 0.242 508 G HA3 -0.286 3.675 3.960 0.001 0.000 0.242 508 G C -0.122 174.794 174.900 0.027 0.000 0.982 508 G CA -0.317 44.791 45.100 0.013 0.000 0.662 508 G HN 0.214 nan 8.290 nan 0.000 0.527 509 Y N 0.100 120.318 120.300 -0.136 0.000 2.359 509 Y HA 0.560 5.110 4.550 -0.000 0.000 0.330 509 Y C 0.810 176.587 175.900 -0.205 0.000 1.143 509 Y CA -1.148 56.864 58.100 -0.146 0.000 1.318 509 Y CB 0.333 38.700 38.460 -0.156 0.000 1.234 509 Y HN 0.201 nan 8.280 nan 0.000 0.522 510 Y N 1.520 121.784 120.300 -0.060 0.000 2.308 510 Y HA 0.249 4.799 4.550 -0.000 0.000 0.329 510 Y C -0.901 174.895 175.900 -0.173 0.000 1.111 510 Y CA -0.621 57.454 58.100 -0.042 0.000 1.179 510 Y CB 0.734 39.126 38.460 -0.114 0.000 1.201 510 Y HN 0.516 nan 8.280 nan 0.000 0.483 511 W N 4.845 126.190 121.300 0.075 0.000 2.393 511 W HA 0.513 5.175 4.660 0.002 0.000 0.315 511 W C -1.447 175.073 176.519 0.002 0.000 1.009 511 W CA -0.752 56.611 57.345 0.030 0.000 1.313 511 W CB 0.524 29.983 29.460 -0.001 0.000 1.269 511 W HN 0.213 nan 8.180 nan 0.000 0.420 512 I N 3.129 123.775 120.570 0.126 0.000 2.396 512 I HA 0.104 4.275 4.170 0.001 0.000 0.289 512 I C 1.550 177.719 176.117 0.087 0.000 1.056 512 I CA 0.319 61.625 61.300 0.009 0.000 1.365 512 I CB 1.016 38.922 38.000 -0.156 0.000 1.407 512 I HN 0.529 nan 8.210 nan 0.000 0.509 513 T N 1.529 116.127 114.554 0.073 0.000 3.044 513 T HA 0.571 4.922 4.350 0.001 0.000 0.250 513 T C 0.795 175.537 174.700 0.069 0.000 1.081 513 T CA 0.160 62.307 62.100 0.079 0.000 1.040 513 T CB -0.062 68.844 68.868 0.063 0.000 0.962 513 T HN 0.953 nan 8.240 nan 0.000 0.506 514 G N 1.287 110.130 108.800 0.070 0.000 2.371 514 G HA2 0.126 4.087 3.960 0.001 0.000 0.663 514 G HA3 0.126 4.087 3.960 0.001 0.000 0.663 514 G C -1.495 173.448 174.900 0.071 0.000 1.311 514 G CA -1.382 43.763 45.100 0.075 0.000 0.985 514 G HN 0.326 nan 8.290 nan 0.000 0.566 515 R N -0.116 120.421 120.500 0.061 0.000 2.570 515 R HA 0.262 4.603 4.340 0.001 0.000 0.277 515 R C 1.652 177.984 176.300 0.053 0.000 1.039 515 R CA 0.494 56.621 56.100 0.044 0.000 1.065 515 R CB 0.679 30.993 30.300 0.023 0.000 0.964 515 R HN 1.339 nan 8.270 nan 0.000 0.428 516 V N -1.784 118.172 119.914 0.070 0.000 3.621 516 V HA 0.051 4.171 4.120 0.001 0.000 0.285 516 V C 0.528 176.678 176.094 0.093 0.000 1.346 516 V CA 0.030 62.393 62.300 0.106 0.000 1.104 516 V CB -0.344 31.592 31.823 0.188 0.000 0.913 516 V HN 0.629 nan 8.190 nan 0.000 0.432 517 D N -0.284 120.143 120.400 0.045 0.000 2.539 517 D HA 0.198 4.839 4.640 0.001 0.000 0.280 517 D C -0.281 176.028 176.300 0.014 0.000 1.208 517 D CA -0.805 53.210 54.000 0.025 0.000 1.088 517 D CB 0.137 40.919 40.800 -0.030 0.000 1.149 517 D HN 0.071 nan 8.370 nan 0.000 0.596 518 D N -0.445 119.959 120.400 0.006 0.000 3.057 518 D HA 0.232 4.873 4.640 0.001 0.000 0.246 518 D C -0.655 175.653 176.300 0.013 0.000 1.238 518 D CA -0.065 53.943 54.000 0.013 0.000 0.949 518 D CB 0.257 41.065 40.800 0.013 0.000 1.086 518 D HN 0.031 nan 8.370 nan 0.000 0.487 519 V N 1.584 121.504 119.914 0.010 0.000 2.540 519 V HA 0.350 4.470 4.120 0.001 0.000 0.302 519 V C 0.351 176.453 176.094 0.013 0.000 1.035 519 V CA -0.802 61.505 62.300 0.010 0.000 0.873 519 V CB 2.609 34.432 31.823 -0.000 0.000 0.992 519 V HN 0.112 nan 8.190 nan 0.000 0.428 520 L N 3.371 124.602 121.223 0.014 0.000 2.387 520 L HA 0.601 4.942 4.340 0.001 0.000 0.266 520 L C 0.058 176.921 176.870 -0.011 0.000 1.059 520 L CA -0.557 54.289 54.840 0.010 0.000 0.801 520 L CB 1.215 43.285 42.059 0.019 0.000 1.223 520 L HN 0.564 nan 8.230 nan 0.000 0.456 521 N N 1.136 119.824 118.700 -0.019 0.000 2.573 521 N HA 0.307 5.048 4.740 0.001 0.000 0.262 521 N C -1.579 173.894 175.510 -0.062 0.000 1.029 521 N CA -0.202 52.815 53.050 -0.054 0.000 0.882 521 N CB 1.543 40.000 38.487 -0.049 0.000 1.204 521 N HN 0.226 nan 8.380 nan 0.000 0.519 522 V N 2.247 122.117 119.914 -0.074 0.000 2.326 522 V HA 0.288 4.409 4.120 0.001 0.000 0.281 522 V C 0.565 176.584 176.094 -0.125 0.000 1.015 522 V CA -0.724 61.535 62.300 -0.068 0.000 0.823 522 V CB 0.891 32.701 31.823 -0.021 0.000 1.009 522 V HN 0.726 nan 8.190 nan 0.000 0.436 523 S N 3.760 119.362 115.700 -0.162 0.000 3.614 523 S HA -0.209 4.262 4.470 0.001 0.000 0.360 523 S C 1.492 175.811 174.600 -0.468 0.000 1.023 523 S CA 1.355 59.411 58.200 -0.240 0.000 1.114 523 S CB -1.332 61.763 63.200 -0.176 0.000 0.907 523 S HN 2.205 nan 8.310 nan 0.000 0.470 524 G N -0.428 108.138 108.800 -0.390 0.000 2.179 524 G HA2 -0.309 3.652 3.960 0.001 0.000 0.260 524 G HA3 -0.309 3.652 3.960 0.001 0.000 0.260 524 G C -0.307 174.222 174.900 -0.617 0.000 0.977 524 G CA 0.529 45.347 45.100 -0.471 0.000 0.641 524 G HN 0.862 nan 8.290 nan 0.000 0.533 525 H N -0.161 118.687 119.070 -0.371 0.000 2.517 525 H HA 0.532 5.089 4.556 0.001 0.000 0.317 525 H C 0.607 175.738 175.328 -0.327 0.000 1.080 525 H CA -0.677 55.070 56.048 -0.502 0.000 1.301 525 H CB 0.953 30.444 29.762 -0.453 0.000 1.425 525 H HN 0.276 nan 8.280 nan 0.000 0.471 526 R N 4.269 124.631 120.500 -0.230 0.000 2.296 526 R HA 0.285 4.626 4.340 0.001 0.000 0.323 526 R C -1.339 174.937 176.300 -0.041 0.000 1.067 526 R CA -0.190 55.837 56.100 -0.121 0.000 0.946 526 R CB 0.056 30.279 30.300 -0.129 0.000 0.991 526 R HN 0.592 nan 8.270 nan 0.000 0.448 527 L N 3.434 124.657 121.223 0.001 0.000 2.431 527 L HA 0.460 4.801 4.340 0.001 0.000 0.266 527 L C 0.334 177.231 176.870 0.045 0.000 0.978 527 L CA -1.127 53.741 54.840 0.046 0.000 0.822 527 L CB 2.284 44.374 42.059 0.051 0.000 1.310 527 L HN 0.787 nan 8.230 nan 0.000 0.409 528 G N -0.265 108.571 108.800 0.060 0.000 2.403 528 G HA2 0.331 4.292 3.960 0.001 0.000 0.259 528 G HA3 0.331 4.292 3.960 0.001 0.000 0.259 528 G C 1.028 175.959 174.900 0.051 0.000 1.244 528 G CA 0.263 45.392 45.100 0.049 0.000 0.849 528 G HN 0.777 nan 8.290 nan 0.000 0.532 529 T N 0.266 114.846 114.554 0.044 0.000 2.788 529 T HA -0.108 4.243 4.350 0.001 0.000 0.268 529 T C 2.537 177.269 174.700 0.054 0.000 1.044 529 T CA 1.591 63.722 62.100 0.050 0.000 1.139 529 T CB -0.190 68.706 68.868 0.048 0.000 0.867 529 T HN 0.620 nan 8.240 nan 0.000 0.454 530 A N 2.754 125.602 122.820 0.046 0.000 1.933 530 A HA -0.119 4.201 4.320 0.001 0.000 0.218 530 A C 2.389 180.007 177.584 0.056 0.000 1.175 530 A CA 1.687 53.752 52.037 0.047 0.000 0.628 530 A CB -0.716 18.306 19.000 0.035 0.000 0.814 530 A HN 0.856 nan 8.150 nan 0.000 0.444 531 E N 0.067 120.302 120.200 0.059 0.000 2.106 531 E HA -0.158 4.193 4.350 0.001 0.000 0.192 531 E C 1.826 178.472 176.600 0.077 0.000 0.984 531 E CA 1.347 57.786 56.400 0.066 0.000 0.806 531 E CB -0.496 29.245 29.700 0.069 0.000 0.750 531 E HN 0.639 nan 8.360 nan 0.000 0.458 532 I N 1.423 122.040 120.570 0.078 0.000 2.252 532 I HA -0.209 3.962 4.170 0.001 0.000 0.245 532 I C 2.337 178.510 176.117 0.093 0.000 1.102 532 I CA 1.370 62.720 61.300 0.084 0.000 1.385 532 I CB -0.323 37.720 38.000 0.071 0.000 1.064 532 I HN 0.115 nan 8.210 nan 0.000 0.414 533 E N 0.712 120.962 120.200 0.083 0.000 2.077 533 E HA -0.175 4.176 4.350 0.001 0.000 0.193 533 E C 2.351 179.012 176.600 0.102 0.000 0.989 533 E CA 1.645 58.096 56.400 0.086 0.000 0.800 533 E CB -0.060 29.683 29.700 0.072 0.000 0.746 533 E HN 0.369 nan 8.360 nan 0.000 0.452 534 S N 0.753 116.511 115.700 0.097 0.000 2.356 534 S HA -0.185 4.286 4.470 0.001 0.000 0.223 534 S C 2.155 176.849 174.600 0.157 0.000 1.032 534 S CA 0.979 59.243 58.200 0.107 0.000 1.005 534 S CB -0.277 62.972 63.200 0.082 0.000 0.867 534 S HN 0.400 nan 8.310 nan 0.000 0.449 535 A N 1.576 124.491 122.820 0.159 0.000 1.883 535 A HA -0.089 4.231 4.320 0.001 0.000 0.217 535 A C 2.162 179.990 177.584 0.407 0.000 1.186 535 A CA 1.401 53.575 52.037 0.228 0.000 0.624 535 A CB -0.866 18.220 19.000 0.142 0.000 0.822 535 A HN 0.443 nan 8.150 nan 0.000 0.444 536 L N -0.704 120.686 121.223 0.278 0.000 2.017 536 L HA -0.168 4.173 4.340 0.001 0.000 0.208 536 L C 2.516 179.500 176.870 0.190 0.000 1.073 536 L CA 1.249 56.230 54.840 0.235 0.000 0.745 536 L CB -0.570 41.564 42.059 0.124 0.000 0.894 536 L HN 0.245 nan 8.230 nan 0.000 0.432 537 V N 0.068 120.080 119.914 0.164 0.000 2.490 537 V HA -0.269 3.852 4.120 0.001 0.000 0.250 537 V C 2.663 178.840 176.094 0.137 0.000 1.061 537 V CA 1.579 63.953 62.300 0.125 0.000 1.064 537 V CB -0.862 31.022 31.823 0.102 0.000 0.670 537 V HN 0.491 nan 8.190 nan 0.000 0.461 538 A N -1.431 121.532 122.820 0.240 0.000 2.070 538 A HA -0.186 4.135 4.320 0.001 0.000 0.220 538 A C 1.429 179.109 177.584 0.159 0.000 1.159 538 A CA 0.710 52.925 52.037 0.297 0.000 0.656 538 A CB -0.720 18.553 19.000 0.456 0.000 0.800 538 A HN 0.644 nan 8.150 nan 0.000 0.453 539 H N 0.935 119.849 119.070 -0.259 0.000 2.886 539 H HA 0.079 4.636 4.556 0.001 0.000 0.329 539 H C -1.582 173.464 175.328 -0.470 0.000 1.044 539 H CA -1.119 54.332 56.048 -0.995 0.000 1.456 539 H CB 1.151 30.244 29.762 -1.115 0.000 1.464 539 H HN 0.116 nan 8.280 nan 0.000 0.573 540 P HA -0.101 nan 4.420 nan 0.000 0.225 540 P C 0.624 177.842 177.300 -0.137 0.000 1.148 540 P CA 1.237 64.133 63.100 -0.340 0.000 0.779 540 P CB 0.315 31.788 31.700 -0.377 0.000 0.780 541 K N -0.977 119.449 120.400 0.044 0.000 2.356 541 K HA 0.181 4.502 4.320 0.001 0.000 0.195 541 K C 0.953 177.589 176.600 0.060 0.000 1.037 541 K CA 0.096 56.431 56.287 0.080 0.000 1.014 541 K CB 0.229 32.791 32.500 0.103 0.000 0.815 541 K HN 0.206 nan 8.250 nan 0.000 0.507 542 I N 0.621 121.245 120.570 0.091 0.000 2.331 542 I HA 0.093 4.264 4.170 0.001 0.000 0.292 542 I C 0.835 176.990 176.117 0.063 0.000 0.998 542 I CA -0.340 61.001 61.300 0.068 0.000 1.267 542 I CB 1.800 39.836 38.000 0.061 0.000 1.386 542 I HN 0.017 nan 8.210 nan 0.000 0.476 543 A N 5.001 127.865 122.820 0.074 0.000 1.942 543 A HA 0.217 4.538 4.320 0.001 0.000 0.209 543 A C 0.678 178.308 177.584 0.076 0.000 1.214 543 A CA 0.715 52.797 52.037 0.075 0.000 0.686 543 A CB 0.257 19.314 19.000 0.094 0.000 0.871 543 A HN 0.746 nan 8.150 nan 0.000 0.460 544 E N -2.263 117.989 120.200 0.086 0.000 2.390 544 E HA 0.651 5.002 4.350 0.001 0.000 0.277 544 E C -1.529 175.127 176.600 0.092 0.000 0.939 544 E CA -0.416 56.033 56.400 0.081 0.000 0.769 544 E CB 2.316 32.062 29.700 0.076 0.000 1.251 544 E HN 0.462 nan 8.360 nan 0.000 0.450 545 A N 1.317 124.188 122.820 0.084 0.000 2.517 545 A HA 0.816 5.137 4.320 0.001 0.000 0.297 545 A C -1.680 175.958 177.584 0.089 0.000 1.050 545 A CA -0.154 51.939 52.037 0.094 0.000 0.694 545 A CB 1.715 20.767 19.000 0.087 0.000 1.277 545 A HN 0.532 nan 8.150 nan 0.000 0.400 546 A N 1.488 124.381 122.820 0.121 0.000 2.343 546 A HA 0.715 5.036 4.320 0.001 0.000 0.308 546 A C -1.001 176.704 177.584 0.202 0.000 1.092 546 A CA -0.462 51.644 52.037 0.114 0.000 0.751 546 A CB 1.201 20.222 19.000 0.034 0.000 1.203 546 A HN 1.371 nan 8.150 nan 0.000 0.452 547 V N 3.262 123.264 119.914 0.146 0.000 2.495 547 V HA 0.692 4.813 4.120 0.001 0.000 0.298 547 V C 0.049 176.228 176.094 0.141 0.000 1.031 547 V CA -0.369 62.022 62.300 0.152 0.000 0.871 547 V CB 1.431 33.311 31.823 0.095 0.000 0.988 547 V HN 1.161 nan 8.190 nan 0.000 0.432 548 V N 1.651 121.668 119.914 0.171 0.000 3.102 548 V HA 1.033 5.153 4.120 0.001 0.000 0.312 548 V C 0.191 176.348 176.094 0.105 0.000 1.135 548 V CA -0.582 61.788 62.300 0.117 0.000 1.022 548 V CB 1.846 33.732 31.823 0.106 0.000 1.056 548 V HN 0.915 nan 8.190 nan 0.000 0.436 549 G N 1.229 110.069 108.800 0.067 0.000 2.389 549 G HA2 0.727 4.688 3.960 0.001 0.000 0.317 549 G HA3 0.727 4.688 3.960 0.001 0.000 0.317 549 G C -0.615 174.313 174.900 0.048 0.000 1.137 549 G CA -0.574 44.563 45.100 0.062 0.000 0.870 549 G HN 1.450 nan 8.290 nan 0.000 0.496 550 I N -0.774 119.837 120.570 0.069 0.000 2.785 550 I HA 0.623 4.794 4.170 0.001 0.000 0.302 550 I C -2.767 173.398 176.117 0.080 0.000 1.069 550 I CA -3.134 58.200 61.300 0.056 0.000 1.045 550 I CB 2.564 40.607 38.000 0.072 0.000 1.236 550 I HN 0.176 nan 8.210 nan 0.000 0.429 551 P HA 0.143 nan 4.420 nan 0.000 0.267 551 P C -1.430 175.938 177.300 0.114 0.000 1.200 551 P CA 0.484 63.625 63.100 0.068 0.000 0.772 551 P CB 0.159 31.878 31.700 0.032 0.000 0.855 552 H N 0.693 119.768 119.070 0.008 0.000 2.966 552 H HA 0.506 5.063 4.556 0.001 0.000 0.347 552 H C 0.741 176.065 175.328 -0.006 0.000 1.048 552 H CA -0.462 55.589 56.048 0.005 0.000 1.295 552 H CB 1.439 31.205 29.762 0.008 0.000 1.744 552 H HN 0.310 nan 8.280 nan 0.000 0.513 553 A N 4.914 127.629 122.820 -0.175 0.000 1.940 553 A HA -0.142 4.178 4.320 0.001 0.000 0.219 553 A C 1.602 179.209 177.584 0.039 0.000 1.176 553 A CA 1.650 53.643 52.037 -0.073 0.000 0.631 553 A CB -0.298 18.622 19.000 -0.132 0.000 0.814 553 A HN 0.634 nan 8.150 nan 0.000 0.446 554 I N -0.620 120.074 120.570 0.207 0.000 2.364 554 I HA -0.051 4.120 4.170 0.001 0.000 0.241 554 I C 1.945 178.152 176.117 0.150 0.000 1.082 554 I CA 1.325 62.745 61.300 0.200 0.000 1.401 554 I CB -1.108 37.027 38.000 0.225 0.000 1.126 554 I HN 0.310 nan 8.210 nan 0.000 0.429 555 K N 0.476 120.988 120.400 0.186 0.000 2.459 555 K HA 0.146 4.467 4.320 0.001 0.000 0.193 555 K C 1.511 178.102 176.600 -0.016 0.000 1.030 555 K CA 0.722 56.974 56.287 -0.059 0.000 1.026 555 K CB 0.323 32.643 32.500 -0.300 0.000 0.809 555 K HN 0.470 nan 8.250 nan 0.000 0.504 556 G N 1.477 110.318 108.800 0.068 0.000 4.039 556 G HA2 -0.330 3.631 3.960 0.001 0.000 0.220 556 G HA3 -0.330 3.631 3.960 0.001 0.000 0.220 556 G C 0.087 175.025 174.900 0.064 0.000 1.391 556 G CA 0.066 45.193 45.100 0.044 0.000 0.920 556 G HN 0.374 nan 8.290 nan 0.000 0.599 557 Q N 0.567 120.386 119.800 0.032 0.000 2.375 557 Q HA 0.694 5.035 4.340 0.001 0.000 0.271 557 Q C -0.188 175.815 176.000 0.005 0.000 1.074 557 Q CA -0.144 55.685 55.803 0.044 0.000 0.808 557 Q CB 2.231 30.983 28.738 0.024 0.000 1.327 557 Q HN 0.960 nan 8.270 nan 0.000 0.441 558 A N 2.256 125.101 122.820 0.042 0.000 2.299 558 A HA 0.716 5.037 4.320 0.001 0.000 0.332 558 A C -0.662 176.949 177.584 0.045 0.000 1.131 558 A CA -0.664 51.369 52.037 -0.007 0.000 0.844 558 A CB 0.720 19.751 19.000 0.051 0.000 1.251 558 A HN 0.723 nan 8.150 nan 0.000 0.486 559 I N 1.127 121.712 120.570 0.024 0.000 2.304 559 I HA 0.213 4.384 4.170 0.001 0.000 0.291 559 I C -1.152 174.998 176.117 0.055 0.000 1.018 559 I CA -0.072 61.254 61.300 0.043 0.000 1.260 559 I CB 0.727 38.734 38.000 0.012 0.000 1.390 559 I HN 0.629 nan 8.210 nan 0.000 0.475 560 Y N 6.696 126.966 120.300 -0.049 0.000 2.328 560 Y HA 0.685 5.235 4.550 0.001 0.000 0.333 560 Y C -0.326 175.495 175.900 -0.132 0.000 0.958 560 Y CA -0.977 57.057 58.100 -0.110 0.000 1.167 560 Y CB 1.425 39.822 38.460 -0.104 0.000 1.151 560 Y HN 0.574 nan 8.280 nan 0.000 0.470 561 A N 6.438 129.144 122.820 -0.191 0.000 2.273 561 A HA 0.517 4.838 4.320 0.001 0.000 0.315 561 A C -1.853 175.623 177.584 -0.180 0.000 1.256 561 A CA -0.492 51.483 52.037 -0.103 0.000 0.851 561 A CB -0.098 18.811 19.000 -0.151 0.000 1.172 561 A HN 0.744 nan 8.150 nan 0.000 0.508 562 Y N 1.625 121.935 120.300 0.017 0.000 2.359 562 Y HA 0.424 4.975 4.550 0.001 0.000 0.334 562 Y C 0.287 176.181 175.900 -0.010 0.000 1.058 562 Y CA 0.135 58.228 58.100 -0.011 0.000 1.244 562 Y CB 1.285 39.718 38.460 -0.045 0.000 1.187 562 Y HN 0.368 nan 8.280 nan 0.000 0.510 563 V N 3.334 123.336 119.914 0.146 0.000 2.577 563 V HA 0.376 4.497 4.120 0.001 0.000 0.303 563 V C -0.396 175.856 176.094 0.264 0.000 1.042 563 V CA -0.887 61.511 62.300 0.162 0.000 0.872 563 V CB 2.178 34.059 31.823 0.096 0.000 0.998 563 V HN 0.760 nan 8.190 nan 0.000 0.423 564 T N 6.264 120.935 114.554 0.195 0.000 2.771 564 T HA 0.638 4.989 4.350 0.001 0.000 0.281 564 T C -0.170 174.608 174.700 0.130 0.000 0.982 564 T CA -0.306 61.891 62.100 0.161 0.000 0.978 564 T CB 0.913 69.851 68.868 0.117 0.000 0.930 564 T HN 0.338 nan 8.240 nan 0.000 0.447 565 L N 3.004 124.279 121.223 0.086 0.000 2.399 565 L HA 0.392 4.733 4.340 0.001 0.000 0.266 565 L C 0.854 177.736 176.870 0.021 0.000 1.114 565 L CA -1.220 53.634 54.840 0.023 0.000 0.804 565 L CB 0.440 42.452 42.059 -0.077 0.000 1.146 565 L HN 0.538 nan 8.230 nan 0.000 0.451 566 N N 0.541 119.261 118.700 0.033 0.000 2.353 566 N HA -0.047 4.694 4.740 0.001 0.000 0.248 566 N C -0.043 175.507 175.510 0.067 0.000 1.240 566 N CA 0.221 53.314 53.050 0.072 0.000 0.862 566 N CB 0.166 38.680 38.487 0.045 0.000 1.086 566 N HN 0.444 nan 8.380 nan 0.000 0.453 567 H N 0.509 119.577 119.070 -0.005 0.000 3.034 567 H HA 0.037 4.593 4.556 0.001 0.000 0.324 567 H C 1.354 176.672 175.328 -0.017 0.000 1.015 567 H CA 1.348 57.392 56.048 -0.007 0.000 1.429 567 H CB 0.476 30.237 29.762 -0.002 0.000 1.429 567 H HN 0.868 nan 8.280 nan 0.000 0.585 568 G N 3.396 112.209 108.800 0.022 0.000 2.284 568 G HA2 -0.212 3.749 3.960 0.001 0.000 0.216 568 G HA3 -0.212 3.749 3.960 0.001 0.000 0.216 568 G C 0.171 175.046 174.900 -0.042 0.000 1.009 568 G CA -0.367 44.733 45.100 -0.001 0.000 0.625 568 G HN 0.516 nan 8.290 nan 0.000 0.501 569 E N 1.868 122.031 120.200 -0.062 0.000 2.331 569 E HA 0.578 4.929 4.350 0.001 0.000 0.272 569 E C 0.345 176.859 176.600 -0.144 0.000 1.036 569 E CA 0.679 57.019 56.400 -0.099 0.000 0.864 569 E CB 1.181 30.820 29.700 -0.103 0.000 1.035 569 E HN 0.908 nan 8.360 nan 0.000 0.408 570 E N 2.486 122.583 120.200 -0.171 0.000 2.248 570 E HA 0.514 4.865 4.350 0.001 0.000 0.267 570 E C -2.596 173.810 176.600 -0.324 0.000 0.877 570 E CA -1.986 54.290 56.400 -0.207 0.000 0.759 570 E CB 0.907 30.525 29.700 -0.138 0.000 1.182 570 E HN 0.163 nan 8.360 nan 0.000 0.418 571 P HA 0.471 nan 4.420 nan 0.000 0.272 571 P C -0.480 176.607 177.300 -0.355 0.000 1.240 571 P CA -0.120 62.544 63.100 -0.727 0.000 0.791 571 P CB 0.965 32.069 31.700 -0.993 0.000 0.978 572 S N -0.831 114.713 115.700 -0.260 0.000 2.643 572 S HA 0.516 4.987 4.470 0.001 0.000 0.270 572 S C -2.519 172.125 174.600 0.073 0.000 1.166 572 S CA -1.048 57.112 58.200 -0.066 0.000 0.815 572 S CB 1.109 64.270 63.200 -0.065 0.000 1.139 572 S HN 0.120 nan 8.310 nan 0.000 0.472 573 P HA 0.132 nan 4.420 nan 0.000 0.222 573 P C 0.943 178.323 177.300 0.133 0.000 1.153 573 P CA 0.811 63.976 63.100 0.109 0.000 0.798 573 P CB 0.036 31.755 31.700 0.031 0.000 0.796 574 E N -0.520 119.731 120.200 0.085 0.000 2.106 574 E HA -0.145 4.206 4.350 0.001 0.000 0.192 574 E C 1.782 178.451 176.600 0.114 0.000 0.984 574 E CA 0.658 57.108 56.400 0.084 0.000 0.806 574 E CB -0.574 29.154 29.700 0.046 0.000 0.750 574 E HN 0.123 nan 8.360 nan 0.000 0.458 575 L N 0.164 121.445 121.223 0.097 0.000 2.093 575 L HA -0.164 4.177 4.340 0.001 0.000 0.208 575 L C 2.037 179.070 176.870 0.271 0.000 1.085 575 L CA 1.554 56.444 54.840 0.082 0.000 0.755 575 L CB -0.577 41.397 42.059 -0.142 0.000 0.904 575 L HN 0.107 nan 8.230 nan 0.000 0.435 576 Y N -0.206 120.267 120.300 0.287 0.000 2.053 576 Y HA -0.363 4.188 4.550 0.001 0.000 0.277 576 Y C 2.466 178.443 175.900 0.128 0.000 1.159 576 Y CA 2.453 60.714 58.100 0.268 0.000 1.125 576 Y CB -0.387 38.184 38.460 0.185 0.000 0.969 576 Y HN 0.277 nan 8.280 nan 0.000 0.492 577 A N -0.447 122.566 122.820 0.321 0.000 1.930 577 A HA -0.210 4.111 4.320 0.001 0.000 0.217 577 A C 2.150 179.830 177.584 0.159 0.000 1.175 577 A CA 1.661 53.822 52.037 0.207 0.000 0.627 577 A CB -0.832 18.263 19.000 0.158 0.000 0.815 577 A HN 0.637 nan 8.150 nan 0.000 0.443 578 E N -0.056 120.236 120.200 0.154 0.000 2.038 578 E HA -0.166 4.185 4.350 0.001 0.000 0.195 578 E C 1.850 178.548 176.600 0.165 0.000 1.000 578 E CA 1.784 58.279 56.400 0.159 0.000 0.803 578 E CB -0.152 29.633 29.700 0.142 0.000 0.750 578 E HN 0.311 nan 8.360 nan 0.000 0.448 579 V N 1.383 121.335 119.914 0.064 0.000 2.358 579 V HA -0.226 3.894 4.120 0.001 0.000 0.246 579 V C 2.509 178.663 176.094 0.100 0.000 1.047 579 V CA 1.867 64.167 62.300 0.001 0.000 1.035 579 V CB -0.584 31.193 31.823 -0.076 0.000 0.658 579 V HN 0.269 nan 8.190 nan 0.000 0.452 580 R N 0.381 120.910 120.500 0.050 0.000 2.080 580 R HA -0.178 4.162 4.340 0.001 0.000 0.236 580 R C 2.211 178.579 176.300 0.113 0.000 1.137 580 R CA 1.777 57.910 56.100 0.055 0.000 0.943 580 R CB -0.724 29.609 30.300 0.055 0.000 0.846 580 R HN 0.501 nan 8.270 nan 0.000 0.431 581 N N 0.359 119.144 118.700 0.141 0.000 2.149 581 N HA -0.219 4.522 4.740 0.001 0.000 0.188 581 N C 1.357 176.979 175.510 0.188 0.000 1.019 581 N CA 0.910 54.046 53.050 0.144 0.000 0.857 581 N CB -0.406 38.168 38.487 0.146 0.000 0.997 581 N HN 0.420 nan 8.380 nan 0.000 0.426 582 W N 1.762 123.110 121.300 0.081 0.000 2.335 582 W HA -0.164 4.496 4.660 0.001 0.000 0.311 582 W C 1.493 178.059 176.519 0.079 0.000 1.213 582 W CA 1.123 58.534 57.345 0.110 0.000 1.274 582 W CB -0.244 29.337 29.460 0.202 0.000 1.148 582 W HN -0.156 nan 8.180 nan 0.000 0.498 583 V N 1.114 121.146 119.914 0.196 0.000 2.515 583 V HA -0.258 3.863 4.120 0.001 0.000 0.250 583 V C 2.497 178.596 176.094 0.008 0.000 1.058 583 V CA 2.134 64.482 62.300 0.079 0.000 1.064 583 V CB -0.990 30.901 31.823 0.115 0.000 0.675 583 V HN 0.121 nan 8.190 nan 0.000 0.461 584 R N 0.158 120.673 120.500 0.026 0.000 2.120 584 R HA -0.178 4.163 4.340 0.001 0.000 0.234 584 R C 2.425 178.710 176.300 -0.025 0.000 1.123 584 R CA 1.639 57.748 56.100 0.016 0.000 0.975 584 R CB -0.175 30.145 30.300 0.033 0.000 0.866 584 R HN 0.475 nan 8.270 nan 0.000 0.446 585 K N 0.001 120.347 120.400 -0.091 0.000 2.116 585 K HA -0.095 4.226 4.320 0.001 0.000 0.203 585 K C 1.481 177.943 176.600 -0.231 0.000 1.052 585 K CA 1.007 57.193 56.287 -0.167 0.000 0.952 585 K CB 0.228 32.584 32.500 -0.240 0.000 0.729 585 K HN 0.062 nan 8.250 nan 0.000 0.446 586 E N 0.461 120.471 120.200 -0.315 0.000 2.106 586 E HA -0.096 4.255 4.350 0.001 0.000 0.192 586 E C 1.961 178.505 176.600 -0.094 0.000 0.984 586 E CA 1.175 57.411 56.400 -0.273 0.000 0.806 586 E CB 0.184 29.707 29.700 -0.295 0.000 0.750 586 E HN 0.426 nan 8.360 nan 0.000 0.458 587 I N -1.830 118.736 120.570 -0.006 0.000 3.623 587 I HA 0.277 4.448 4.170 0.001 0.000 0.253 587 I C 0.993 177.243 176.117 0.223 0.000 1.144 587 I CA 0.411 61.789 61.300 0.131 0.000 1.461 587 I CB 0.987 39.083 38.000 0.159 0.000 1.575 587 I HN 0.054 nan 8.210 nan 0.000 0.445 588 G N 0.146 109.022 108.800 0.127 0.000 2.350 588 G HA2 0.107 4.067 3.960 0.001 0.000 0.304 588 G HA3 0.107 4.067 3.960 0.001 0.000 0.304 588 G C -2.721 172.207 174.900 0.047 0.000 1.421 588 G CA -0.672 44.481 45.100 0.088 0.000 0.934 588 G HN -0.220 nan 8.290 nan 0.000 0.632 589 P HA -0.124 nan 4.420 nan 0.000 0.218 589 P C 2.351 179.666 177.300 0.025 0.000 1.152 589 P CA 1.942 65.056 63.100 0.025 0.000 0.857 589 P CB -0.036 31.676 31.700 0.020 0.000 0.787 590 L N -3.658 117.569 121.223 0.006 0.000 2.261 590 L HA -0.010 4.331 4.340 0.001 0.000 0.216 590 L C 1.809 178.685 176.870 0.010 0.000 1.114 590 L CA 2.045 56.871 54.840 -0.024 0.000 0.777 590 L CB -1.093 40.818 42.059 -0.246 0.000 0.910 590 L HN -0.136 nan 8.230 nan 0.000 0.440 591 A N -0.441 122.398 122.820 0.031 0.000 2.430 591 A HA 0.265 4.586 4.320 0.001 0.000 0.243 591 A C 0.802 178.408 177.584 0.036 0.000 1.254 591 A CA -0.110 51.956 52.037 0.048 0.000 0.914 591 A CB -0.372 18.679 19.000 0.085 0.000 0.998 591 A HN 0.400 nan 8.150 nan 0.000 0.515 592 T N 3.544 118.114 114.554 0.027 0.000 2.867 592 T HA 0.301 4.652 4.350 0.001 0.000 0.297 592 T C -2.623 172.073 174.700 -0.006 0.000 0.989 592 T CA -0.393 61.717 62.100 0.018 0.000 1.159 592 T CB 0.360 69.241 68.868 0.022 0.000 0.928 592 T HN 0.155 nan 8.240 nan 0.000 0.538 593 P HA 0.135 nan 4.420 nan 0.000 0.267 593 P C 0.484 177.739 177.300 -0.076 0.000 1.205 593 P CA -0.213 62.843 63.100 -0.073 0.000 0.765 593 P CB 0.568 32.183 31.700 -0.142 0.000 0.828 594 D N 1.107 121.469 120.400 -0.062 0.000 2.194 594 D HA -0.007 4.634 4.640 0.001 0.000 0.204 594 D C 0.342 176.612 176.300 -0.050 0.000 0.964 594 D CA 1.297 55.279 54.000 -0.030 0.000 0.846 594 D CB 0.388 41.182 40.800 -0.011 0.000 0.962 594 D HN 0.141 nan 8.370 nan 0.000 0.490 595 V N 1.496 121.294 119.914 -0.193 0.000 2.638 595 V HA 0.327 4.448 4.120 0.001 0.000 0.306 595 V C -0.402 175.317 176.094 -0.625 0.000 1.052 595 V CA -0.691 61.386 62.300 -0.371 0.000 0.885 595 V CB 2.668 34.100 31.823 -0.651 0.000 0.999 595 V HN -0.056 nan 8.190 nan 0.000 0.424 596 L N 3.980 124.744 121.223 -0.766 0.000 2.298 596 L HA 0.515 4.856 4.340 0.001 0.000 0.284 596 L C -0.424 175.850 176.870 -0.992 0.000 1.013 596 L CA -0.458 53.739 54.840 -1.071 0.000 0.824 596 L CB 1.183 42.244 42.059 -1.663 0.000 1.221 596 L HN 0.734 nan 8.230 nan 0.000 0.418 597 H N 3.261 121.796 119.070 -0.893 0.000 2.700 597 H HA 0.236 4.793 4.556 0.001 0.000 0.269 597 H C -1.078 174.061 175.328 -0.315 0.000 1.222 597 H CA -0.773 54.935 56.048 -0.567 0.000 1.254 597 H CB 0.398 29.839 29.762 -0.535 0.000 1.413 597 H HN 0.474 nan 8.280 nan 0.000 0.507 598 W N 4.340 125.680 121.300 0.067 0.000 2.381 598 W HA 0.226 4.887 4.660 0.002 0.000 0.321 598 W C 0.481 177.123 176.519 0.206 0.000 1.407 598 W CA -0.282 57.117 57.345 0.090 0.000 1.274 598 W CB 0.760 30.230 29.460 0.018 0.000 1.310 598 W HN 0.390 nan 8.180 nan 0.000 0.551 599 T N 2.039 116.850 114.554 0.429 0.000 2.894 599 T HA 0.151 4.502 4.350 0.001 0.000 0.309 599 T C -0.225 174.595 174.700 0.201 0.000 1.208 599 T CA -0.676 61.623 62.100 0.331 0.000 1.016 599 T CB 1.406 70.500 68.868 0.377 0.000 1.192 599 T HN 0.389 nan 8.240 nan 0.000 0.491 600 D N 1.596 122.077 120.400 0.136 0.000 2.440 600 D HA 0.225 4.865 4.640 0.001 0.000 0.216 600 D C 0.428 176.773 176.300 0.074 0.000 1.150 600 D CA 0.087 54.133 54.000 0.078 0.000 0.832 600 D CB 0.734 41.549 40.800 0.026 0.000 0.992 600 D HN 0.332 nan 8.370 nan 0.000 0.502 601 S N 0.504 116.257 115.700 0.088 0.000 2.526 601 S HA 0.235 4.706 4.470 0.001 0.000 0.245 601 S C 0.733 175.335 174.600 0.002 0.000 1.103 601 S CA -0.395 57.837 58.200 0.054 0.000 1.095 601 S CB 0.432 63.676 63.200 0.073 0.000 0.826 601 S HN 0.194 nan 8.310 nan 0.000 0.468 602 L N 4.004 125.223 121.223 -0.006 0.000 2.559 602 L HA 0.134 4.475 4.340 0.001 0.000 0.274 602 L C -2.042 174.787 176.870 -0.068 0.000 1.205 602 L CA -1.082 53.716 54.840 -0.070 0.000 0.907 602 L CB 0.144 42.182 42.059 -0.034 0.000 1.153 602 L HN 0.065 nan 8.230 nan 0.000 0.490 603 P HA 0.233 nan 4.420 nan 0.000 0.280 603 P C -1.133 176.130 177.300 -0.062 0.000 1.386 603 P CA -0.368 62.684 63.100 -0.081 0.000 0.899 603 P CB 0.597 32.232 31.700 -0.109 0.000 1.098 604 K N 1.493 121.871 120.400 -0.036 0.000 2.207 604 K HA 0.414 4.735 4.320 0.001 0.000 0.255 604 K C 0.848 177.436 176.600 -0.020 0.000 0.941 604 K CA -0.625 55.647 56.287 -0.026 0.000 0.825 604 K CB 1.588 34.080 32.500 -0.014 0.000 1.119 604 K HN 0.376 nan 8.250 nan 0.000 0.430 605 T N -0.815 113.727 114.554 -0.019 0.000 2.680 605 T HA 0.068 4.418 4.350 0.001 0.000 0.314 605 T C 1.190 175.885 174.700 -0.009 0.000 1.045 605 T CA -0.150 61.942 62.100 -0.014 0.000 1.025 605 T CB 0.613 69.472 68.868 -0.014 0.000 1.000 605 T HN 0.562 nan 8.240 nan 0.000 0.535 606 R N 0.261 120.757 120.500 -0.007 0.000 2.115 606 R HA -0.054 4.287 4.340 0.001 0.000 0.230 606 R C 2.952 179.249 176.300 -0.004 0.000 1.111 606 R CA 1.420 57.517 56.100 -0.004 0.000 0.976 606 R CB -0.437 29.861 30.300 -0.003 0.000 0.870 606 R HN 0.867 nan 8.270 nan 0.000 0.445 607 S N -1.208 114.489 115.700 -0.005 0.000 2.414 607 S HA 0.038 4.509 4.470 0.001 0.000 0.227 607 S C 1.491 176.089 174.600 -0.004 0.000 1.022 607 S CA 0.904 59.101 58.200 -0.005 0.000 0.958 607 S CB 0.527 63.724 63.200 -0.006 0.000 0.797 607 S HN 0.474 nan 8.310 nan 0.000 0.493 608 G N -0.421 108.376 108.800 -0.005 0.000 2.227 608 G HA2 0.128 4.089 3.960 0.001 0.000 0.168 608 G HA3 0.128 4.089 3.960 0.001 0.000 0.168 608 G C 0.104 174.999 174.900 -0.008 0.000 1.006 608 G CA 0.045 45.143 45.100 -0.004 0.000 0.684 608 G HN 0.941 nan 8.290 nan 0.000 0.489 609 K N 1.115 121.509 120.400 -0.011 0.000 2.412 609 K HA 0.624 4.944 4.320 0.001 0.000 0.281 609 K C 0.515 177.102 176.600 -0.022 0.000 1.027 609 K CA 0.097 56.375 56.287 -0.015 0.000 0.989 609 K CB 0.691 33.182 32.500 -0.016 0.000 0.935 609 K HN 0.932 nan 8.250 nan 0.000 0.475 610 I N 4.032 124.586 120.570 -0.025 0.000 2.396 610 I HA 0.185 4.356 4.170 0.001 0.000 0.289 610 I C -0.001 176.086 176.117 -0.051 0.000 1.056 610 I CA -0.543 60.732 61.300 -0.042 0.000 1.365 610 I CB 0.551 38.527 38.000 -0.041 0.000 1.407 610 I HN 0.780 nan 8.210 nan 0.000 0.509 611 M N 8.585 128.146 119.600 -0.065 0.000 2.455 611 M HA 0.161 4.642 4.480 0.001 0.000 0.331 611 M C 1.176 177.423 176.300 -0.087 0.000 1.481 611 M CA 0.121 55.382 55.300 -0.065 0.000 1.362 611 M CB 0.253 32.816 32.600 -0.062 0.000 1.564 611 M HN 0.541 nan 8.290 nan 0.000 0.458 612 R N 1.294 121.755 120.500 -0.066 0.000 2.127 612 R HA -0.058 4.283 4.340 0.001 0.000 0.217 612 R C 2.614 178.878 176.300 -0.061 0.000 1.074 612 R CA 1.145 57.205 56.100 -0.066 0.000 0.991 612 R CB -0.189 30.091 30.300 -0.034 0.000 0.895 612 R HN 0.742 nan 8.270 nan 0.000 0.450 613 R N 1.269 121.740 120.500 -0.047 0.000 2.081 613 R HA -0.112 4.229 4.340 0.001 0.000 0.235 613 R C 1.973 178.243 176.300 -0.051 0.000 1.131 613 R CA 1.708 57.786 56.100 -0.038 0.000 0.960 613 R CB -1.310 28.974 30.300 -0.026 0.000 0.856 613 R HN 0.218 nan 8.270 nan 0.000 0.436 614 I N 0.535 121.064 120.570 -0.068 0.000 2.179 614 I HA -0.151 4.020 4.170 0.001 0.000 0.242 614 I C 2.306 178.359 176.117 -0.107 0.000 1.088 614 I CA 1.322 62.575 61.300 -0.077 0.000 1.357 614 I CB -0.127 37.825 38.000 -0.080 0.000 1.051 614 I HN 0.355 nan 8.210 nan 0.000 0.409 615 L N -0.058 121.059 121.223 -0.177 0.000 2.042 615 L HA -0.233 4.108 4.340 0.001 0.000 0.210 615 L C 2.779 179.618 176.870 -0.052 0.000 1.076 615 L CA 1.615 56.302 54.840 -0.255 0.000 0.749 615 L CB -0.746 41.036 42.059 -0.462 0.000 0.893 615 L HN 0.239 nan 8.230 nan 0.000 0.432 616 R N 0.586 121.057 120.500 -0.049 0.000 2.083 616 R HA -0.216 4.125 4.340 0.001 0.000 0.237 616 R C 2.722 178.989 176.300 -0.054 0.000 1.137 616 R CA 2.265 58.343 56.100 -0.036 0.000 0.951 616 R CB -0.224 30.063 30.300 -0.022 0.000 0.851 616 R HN 0.289 nan 8.270 nan 0.000 0.434 617 K N 0.788 121.160 120.400 -0.046 0.000 2.002 617 K HA -0.102 4.219 4.320 0.001 0.000 0.209 617 K C 1.948 178.523 176.600 -0.042 0.000 1.048 617 K CA 1.764 58.028 56.287 -0.038 0.000 0.930 617 K CB -0.960 31.522 32.500 -0.029 0.000 0.714 617 K HN 0.255 nan 8.250 nan 0.000 0.438 618 I N 0.778 121.328 120.570 -0.034 0.000 2.163 618 I HA -0.248 3.923 4.170 0.001 0.000 0.243 618 I C 3.013 179.084 176.117 -0.077 0.000 1.085 618 I CA 1.253 62.548 61.300 -0.009 0.000 1.347 618 I CB -0.325 37.705 38.000 0.050 0.000 1.044 618 I HN 0.414 nan 8.210 nan 0.000 0.408 619 A N 0.615 123.304 122.820 -0.219 0.000 2.024 619 A HA -0.141 4.180 4.320 0.001 0.000 0.220 619 A C 2.373 179.771 177.584 -0.310 0.000 1.164 619 A CA 1.778 53.426 52.037 -0.648 0.000 0.643 619 A CB -0.681 17.666 19.000 -1.089 0.000 0.806 619 A HN 0.467 nan 8.150 nan 0.000 0.451 620 A N -1.977 120.753 122.820 -0.150 0.000 2.206 620 A HA 0.397 4.718 4.320 0.001 0.000 0.211 620 A C 1.787 179.353 177.584 -0.030 0.000 1.158 620 A CA 1.254 53.252 52.037 -0.064 0.000 0.761 620 A CB -0.837 18.138 19.000 -0.042 0.000 0.801 620 A HN 1.889 nan 8.150 nan 0.000 0.473 621 G N -0.429 108.354 108.800 -0.027 0.000 2.141 621 G HA2 -0.178 3.782 3.960 0.001 0.000 0.231 621 G HA3 -0.178 3.782 3.960 0.001 0.000 0.231 621 G C -0.542 174.359 174.900 0.002 0.000 0.984 621 G CA 0.059 45.160 45.100 0.001 0.000 0.660 621 G HN 0.460 nan 8.290 nan 0.000 0.525 622 D N 0.290 120.687 120.400 -0.005 0.000 2.389 622 D HA 0.511 5.152 4.640 0.001 0.000 0.247 622 D C 1.257 177.561 176.300 0.007 0.000 1.128 622 D CA 0.668 54.667 54.000 -0.002 0.000 0.884 622 D CB 1.248 42.043 40.800 -0.009 0.000 1.194 622 D HN 0.089 nan 8.370 nan 0.000 0.441 623 T N -0.392 114.167 114.554 0.008 0.000 3.040 623 T HA 0.174 4.525 4.350 0.001 0.000 0.266 623 T C 0.231 174.936 174.700 0.008 0.000 1.005 623 T CA -0.078 62.030 62.100 0.013 0.000 0.906 623 T CB 0.397 69.273 68.868 0.015 0.000 1.082 623 T HN 0.184 nan 8.240 nan 0.000 0.531 624 S N 0.674 116.375 115.700 0.003 0.000 2.618 624 S HA 0.683 5.154 4.470 0.001 0.000 0.277 624 S C 0.272 174.870 174.600 -0.003 0.000 1.138 624 S CA -0.219 57.981 58.200 0.000 0.000 0.844 624 S CB 1.333 64.533 63.200 -0.000 0.000 1.127 624 S HN 0.771 nan 8.310 nan 0.000 0.474 632 L N 2.584 123.800 121.223 -0.012 0.000 2.455 632 L HA 0.367 4.708 4.340 0.001 0.000 0.272 632 L C 1.830 178.695 176.870 -0.008 0.000 1.174 632 L CA 0.115 54.947 54.840 -0.013 0.000 0.869 632 L CB 0.743 42.793 42.059 -0.015 0.000 1.130 632 L HN 0.408 nan 8.230 nan 0.000 0.474 633 A N 2.605 125.421 122.820 -0.007 0.000 1.933 633 A HA -0.141 4.179 4.320 0.001 0.000 0.218 633 A C 0.769 178.353 177.584 0.001 0.000 1.175 633 A CA 1.378 53.414 52.037 -0.002 0.000 0.628 633 A CB -0.160 18.839 19.000 -0.001 0.000 0.814 633 A HN 0.760 nan 8.150 nan 0.000 0.444 634 D N -1.946 118.455 120.400 0.001 0.000 2.389 634 D HA 0.327 4.967 4.640 0.001 0.000 0.256 634 D C -2.033 174.268 176.300 0.002 0.000 1.239 634 D CA -1.924 52.079 54.000 0.005 0.000 0.925 634 D CB 1.452 42.259 40.800 0.010 0.000 1.145 634 D HN 0.003 nan 8.370 nan 0.000 0.542 635 P HA 0.027 nan 4.420 nan 0.000 0.226 635 P C 1.236 178.538 177.300 0.003 0.000 1.153 635 P CA 0.375 63.475 63.100 -0.001 0.000 0.777 635 P CB 0.313 32.013 31.700 0.000 0.000 0.794 636 G N 0.749 109.554 108.800 0.009 0.000 2.848 636 G HA2 -0.037 3.924 3.960 0.001 0.000 0.208 636 G HA3 -0.037 3.924 3.960 0.001 0.000 0.208 636 G C 1.494 176.406 174.900 0.020 0.000 1.152 636 G CA 0.508 45.616 45.100 0.015 0.000 0.789 636 G HN 0.319 nan 8.290 nan 0.000 0.531 637 V N -1.387 118.536 119.914 0.014 0.000 2.515 637 V HA -0.134 3.987 4.120 0.001 0.000 0.250 637 V C 2.567 178.672 176.094 0.018 0.000 1.058 637 V CA 1.444 63.755 62.300 0.017 0.000 1.064 637 V CB -0.755 31.069 31.823 0.002 0.000 0.675 637 V HN 0.112 nan 8.190 nan 0.000 0.461 638 V N 0.919 120.837 119.914 0.006 0.000 2.287 638 V HA -0.279 3.841 4.120 0.001 0.000 0.248 638 V C 2.775 178.887 176.094 0.031 0.000 1.053 638 V CA 2.605 64.909 62.300 0.006 0.000 1.027 638 V CB -0.883 30.938 31.823 -0.003 0.000 0.646 638 V HN 0.701 nan 8.190 nan 0.000 0.447 639 E N 1.114 121.333 120.200 0.032 0.000 2.058 639 E HA -0.219 4.132 4.350 0.001 0.000 0.194 639 E C 2.270 178.907 176.600 0.061 0.000 0.997 639 E CA 2.364 58.789 56.400 0.041 0.000 0.801 639 E CB -0.423 29.296 29.700 0.032 0.000 0.746 639 E HN 0.541 nan 8.360 nan 0.000 0.450 640 K N 0.713 121.152 120.400 0.065 0.000 2.063 640 K HA -0.094 4.227 4.320 0.001 0.000 0.208 640 K C 2.313 178.998 176.600 0.142 0.000 1.048 640 K CA 1.674 58.015 56.287 0.090 0.000 0.928 640 K CB -1.271 31.278 32.500 0.083 0.000 0.713 640 K HN 0.266 nan 8.250 nan 0.000 0.442 641 L N 0.037 121.348 121.223 0.146 0.000 2.046 641 L HA -0.130 4.211 4.340 0.001 0.000 0.208 641 L C 2.814 179.839 176.870 0.259 0.000 1.077 641 L CA 1.146 56.122 54.840 0.228 0.000 0.747 641 L CB -0.433 41.693 42.059 0.111 0.000 0.896 641 L HN 0.303 nan 8.230 nan 0.000 0.432 642 L N -0.549 120.767 121.223 0.154 0.000 2.017 642 L HA -0.239 4.102 4.340 0.001 0.000 0.208 642 L C 2.576 179.520 176.870 0.123 0.000 1.073 642 L CA 1.413 56.330 54.840 0.128 0.000 0.745 642 L CB -0.489 41.616 42.059 0.076 0.000 0.894 642 L HN 0.273 nan 8.230 nan 0.000 0.432 643 E N -0.018 120.245 120.200 0.105 0.000 2.038 643 E HA -0.267 4.084 4.350 0.001 0.000 0.195 643 E C 2.108 178.757 176.600 0.081 0.000 1.000 643 E CA 1.626 58.074 56.400 0.081 0.000 0.803 643 E CB -0.080 29.661 29.700 0.070 0.000 0.750 643 E HN 0.515 nan 8.360 nan 0.000 0.448 644 E N 0.617 120.886 120.200 0.114 0.000 2.110 644 E HA -0.184 4.167 4.350 0.001 0.000 0.193 644 E C 2.072 178.646 176.600 -0.045 0.000 0.988 644 E CA 0.661 57.082 56.400 0.036 0.000 0.804 644 E CB 0.023 29.785 29.700 0.103 0.000 0.745 644 E HN -0.002 nan 8.360 nan 0.000 0.458 645 K N 0.793 121.286 120.400 0.156 0.000 2.097 645 K HA -0.171 4.150 4.320 0.001 0.000 0.206 645 K C 2.054 178.705 176.600 0.086 0.000 1.049 645 K CA 1.159 57.556 56.287 0.184 0.000 0.933 645 K CB 0.071 32.741 32.500 0.283 0.000 0.717 645 K HN 0.120 nan 8.250 nan 0.000 0.442 646 Q N 0.152 119.993 119.800 0.068 0.000 2.119 646 Q HA -0.001 4.340 4.340 0.001 0.000 0.201 646 Q C 1.016 177.027 176.000 0.019 0.000 0.972 646 Q CA 0.676 56.505 55.803 0.043 0.000 0.847 646 Q CB -0.293 28.470 28.738 0.041 0.000 0.903 646 Q HN 0.269 nan 8.270 nan 0.000 0.433 647 A N 0.000 122.823 122.820 0.006 0.000 2.254 647 A HA 0.000 4.321 4.320 0.001 0.000 0.244 647 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 647 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 647 A HN 0.000 nan 8.150 nan 0.000 0.486