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 2p2f_1_A DATA FIRST_RESID 6 DATA SEQUENCE KHAIPANIAD RCLINPEQYE TKYKQSINDP DTFWGEQGKI LDWITPYQKV DATA SEQUENCE KNTSFAPGNV SIKWYEDGTL NLAANCLDRH LQENGDRTAI IWEGDDTSQS DATA SEQUENCE KHISYRELHR DVCRFANTLL DLGIKKGDVV AIYMPMVPEA AVAMLACARI DATA SEQUENCE GAVHSVIFGG FSPEAVAGRI IDSSSRLVIT ADEGVRAGRS IPLKKNVDDA DATA SEQUENCE LKNPNVTSVE HVIVLKRTGS DIDWQEGRDL WWRDLIEKAS PEHQPEAMNA DATA SEQUENCE EDPLFILYTS GSTGKPKGVL HTTGGYLVYA ATTFKYVFDY HPGDIYWCTA DATA SEQUENCE DVGWVTGHSY LLYGPLACGA TTLMFEGVPN WPTPARMCQV VDKHQVNILY DATA SEQUENCE TAPTAIRALM AEGDKAIEGT DRSSLRILGS VGEPINPEAW EWYWKKIGKE DATA SEQUENCE KCPVVDTWWQ TETGGFMITP LPGAIELKAG SATRPFFGVQ PALVDNEGHP DATA SEQUENCE QEGATEGNLV ITDSWPGQAR TLFGDHERFE QTYFSTFKNM YFSGDGARRD DATA SEQUENCE EDGYYWITGR VDDVLNVSGH RLGTAEIESA LVAHPKIAEA AVVGIPHAIK DATA SEQUENCE GQAIYAYVTL NHGEEPSPEL YAEVRNWVRK EIGPLATPDV LHWTDSLPKT DATA SEQUENCE RSGKIMRRIL RKIAAGDTSX XXXXSTLADP GVVEKLLEEK QA 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.496 176.600 -0.174 0.000 0.988 6 K CA 0.000 56.212 56.287 -0.126 0.000 0.838 6 K CB 0.000 32.435 32.500 -0.109 0.000 1.064 7 H N 1.085 120.077 119.070 -0.130 0.000 2.562 7 H HA 0.308 4.863 4.556 -0.001 0.000 0.314 7 H C 0.046 175.369 175.328 -0.009 0.000 1.079 7 H CA -0.294 55.695 56.048 -0.098 0.000 1.349 7 H CB 1.661 31.340 29.762 -0.139 0.000 1.432 7 H HN 0.710 nan 8.280 nan 0.000 0.479 8 A N 4.300 127.179 122.820 0.099 0.000 2.445 8 A HA 0.174 4.494 4.320 -0.000 0.000 0.242 8 A C 0.523 178.194 177.584 0.146 0.000 1.075 8 A CA -0.440 51.657 52.037 0.098 0.000 0.777 8 A CB -0.021 19.022 19.000 0.071 0.000 1.013 8 A HN 0.719 nan 8.150 nan 0.000 0.493 9 I N 3.447 124.083 120.570 0.110 0.000 2.598 9 I HA 0.138 4.307 4.170 -0.000 0.000 0.284 9 I C -1.512 174.668 176.117 0.105 0.000 1.140 9 I CA -0.974 60.391 61.300 0.107 0.000 1.420 9 I CB 0.581 38.626 38.000 0.075 0.000 1.387 9 I HN 0.517 nan 8.210 nan 0.000 0.553 10 P HA 0.165 nan 4.420 nan 0.000 0.276 10 P C 0.237 177.575 177.300 0.063 0.000 1.244 10 P CA -0.502 62.656 63.100 0.096 0.000 0.801 10 P CB 1.024 32.784 31.700 0.100 0.000 1.006 11 A N 2.371 125.221 122.820 0.049 0.000 1.972 11 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 11 A C 1.873 179.472 177.584 0.025 0.000 1.169 11 A CA 1.686 53.745 52.037 0.035 0.000 0.635 11 A CB -1.232 17.785 19.000 0.028 0.000 0.810 11 A HN 0.765 nan 8.150 nan 0.000 0.446 12 N N 0.537 119.248 118.700 0.018 0.000 2.244 12 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 12 N C 1.474 176.986 175.510 0.003 0.000 1.016 12 N CA 1.744 54.795 53.050 0.002 0.000 0.866 12 N CB -0.416 38.065 38.487 -0.011 0.000 0.980 12 N HN 0.426 nan 8.380 nan 0.000 0.430 13 I N 1.575 122.158 120.570 0.021 0.000 2.277 13 I HA -0.017 4.153 4.170 -0.000 0.000 0.243 13 I C 2.750 178.893 176.117 0.044 0.000 1.094 13 I CA 0.863 62.182 61.300 0.032 0.000 1.393 13 I CB -1.593 36.437 38.000 0.050 0.000 1.078 13 I HN 0.135 nan 8.210 nan 0.000 0.417 14 A N 1.102 123.949 122.820 0.046 0.000 1.948 14 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 14 A C 1.876 179.487 177.584 0.044 0.000 1.177 14 A CA 2.264 54.330 52.037 0.048 0.000 0.636 14 A CB -0.726 18.300 19.000 0.044 0.000 0.815 14 A HN 0.373 nan 8.150 nan 0.000 0.449 15 D N -1.008 119.412 120.400 0.033 0.000 2.264 15 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 15 D C 2.042 178.364 176.300 0.036 0.000 0.966 15 D CA 1.500 55.517 54.000 0.028 0.000 0.864 15 D CB -0.101 40.707 40.800 0.014 0.000 0.933 15 D HN 0.819 nan 8.370 nan 0.000 0.499 16 R N -0.138 120.385 120.500 0.038 0.000 2.487 16 R HA 0.185 4.524 4.340 -0.000 0.000 0.272 16 R C 0.663 177.083 176.300 0.200 0.000 0.928 16 R CA -0.210 55.929 56.100 0.065 0.000 1.077 16 R CB -0.753 29.476 30.300 -0.120 0.000 1.265 16 R HN 0.163 nan 8.270 nan 0.000 0.537 17 C N 0.593 119.985 119.300 0.152 0.000 2.679 17 C HA 0.295 4.755 4.460 -0.000 0.000 0.417 17 C C 1.784 176.878 174.990 0.174 0.000 1.302 17 C CA -0.842 58.287 59.018 0.185 0.000 1.973 17 C CB 0.120 27.931 27.740 0.120 0.000 2.715 17 C HN 0.466 nan 8.230 nan 0.000 0.628 18 L N 1.655 122.983 121.223 0.175 0.000 2.209 18 L HA 0.191 4.531 4.340 -0.000 0.000 0.207 18 L C 0.672 177.577 176.870 0.060 0.000 1.094 18 L CA 0.859 55.773 54.840 0.123 0.000 0.790 18 L CB -0.339 41.833 42.059 0.189 0.000 0.932 18 L HN 0.640 nan 8.230 nan 0.000 0.447 19 I N 1.241 121.848 120.570 0.061 0.000 2.411 19 I HA 0.195 4.365 4.170 -0.000 0.000 0.284 19 I C -0.558 175.604 176.117 0.074 0.000 1.012 19 I CA -0.622 60.695 61.300 0.029 0.000 1.119 19 I CB 0.932 38.947 38.000 0.025 0.000 1.261 19 I HN 0.156 nan 8.210 nan 0.000 0.448 20 N N 7.619 126.361 118.700 0.069 0.000 2.448 20 N HA 0.490 5.230 4.740 -0.000 0.000 0.274 20 N C -2.347 173.224 175.510 0.101 0.000 1.239 20 N CA -1.729 51.365 53.050 0.074 0.000 0.982 20 N CB 0.060 38.582 38.487 0.060 0.000 1.199 20 N HN 0.079 nan 8.380 nan 0.000 0.576 21 P HA -0.125 nan 4.420 nan 0.000 0.216 21 P C 0.574 177.961 177.300 0.145 0.000 1.153 21 P CA 1.663 64.832 63.100 0.116 0.000 0.858 21 P CB 0.164 31.911 31.700 0.079 0.000 0.789 22 E N -0.636 119.620 120.200 0.094 0.000 2.072 22 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 22 E C 2.178 178.813 176.600 0.059 0.000 0.982 22 E CA 1.074 57.517 56.400 0.071 0.000 0.803 22 E CB -0.897 28.830 29.700 0.044 0.000 0.755 22 E HN 0.349 nan 8.360 nan 0.000 0.453 23 Q N -0.713 119.121 119.800 0.057 0.000 2.096 23 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 23 Q C 1.934 177.966 176.000 0.052 0.000 0.982 23 Q CA 1.594 57.408 55.803 0.020 0.000 0.850 23 Q CB -0.321 28.420 28.738 0.004 0.000 0.901 23 Q HN 0.393 nan 8.270 nan 0.000 0.422 24 Y N 1.578 121.921 120.300 0.071 0.000 2.128 24 Y HA -0.278 4.274 4.550 0.002 0.000 0.284 24 Y C 2.031 178.042 175.900 0.185 0.000 1.154 24 Y CA 1.600 59.810 58.100 0.184 0.000 1.149 24 Y CB 0.054 38.566 38.460 0.087 0.000 0.976 24 Y HN 0.026 nan 8.280 nan 0.000 0.505 25 E N -0.249 119.960 120.200 0.016 0.000 2.058 25 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 25 E C 2.240 178.788 176.600 -0.088 0.000 0.997 25 E CA 1.920 58.291 56.400 -0.047 0.000 0.801 25 E CB -0.740 28.999 29.700 0.066 0.000 0.746 25 E HN 0.528 nan 8.360 nan 0.000 0.450 26 T N 1.417 115.924 114.554 -0.078 0.000 2.698 26 T HA -0.077 4.273 4.350 -0.000 0.000 0.260 26 T C 1.864 176.446 174.700 -0.195 0.000 1.044 26 T CA 1.221 63.261 62.100 -0.099 0.000 1.149 26 T CB -0.092 68.736 68.868 -0.067 0.000 0.864 26 T HN 0.133 nan 8.240 nan 0.000 0.419 27 K N 0.113 120.340 120.400 -0.288 0.000 2.103 27 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 27 K C 2.163 178.338 176.600 -0.708 0.000 1.048 27 K CA 1.499 57.457 56.287 -0.548 0.000 0.930 27 K CB -0.357 31.595 32.500 -0.912 0.000 0.716 27 K HN 0.392 nan 8.250 nan 0.000 0.444 28 Y N 1.988 121.970 120.300 -0.531 0.000 2.163 28 Y HA -0.299 4.248 4.550 -0.006 0.000 0.288 28 Y C 2.639 178.342 175.900 -0.328 0.000 1.136 28 Y CA 2.713 60.576 58.100 -0.394 0.000 1.147 28 Y CB -0.467 37.652 38.460 -0.568 0.000 0.987 28 Y HN 0.014 nan 8.280 nan 0.000 0.509 29 K N 0.665 120.959 120.400 -0.178 0.000 2.044 29 K HA -0.288 4.032 4.320 -0.000 0.000 0.210 29 K C 2.108 178.546 176.600 -0.271 0.000 1.049 29 K CA 2.134 58.325 56.287 -0.160 0.000 0.927 29 K CB -1.263 31.208 32.500 -0.048 0.000 0.713 29 K HN 0.701 nan 8.250 nan 0.000 0.443 30 Q N 0.429 120.049 119.800 -0.300 0.000 2.119 30 Q HA -0.149 4.191 4.340 -0.000 0.000 0.201 30 Q C 2.418 178.204 176.000 -0.356 0.000 0.972 30 Q CA 1.972 57.626 55.803 -0.247 0.000 0.847 30 Q CB -0.172 28.476 28.738 -0.150 0.000 0.903 30 Q HN 0.807 nan 8.270 nan 0.000 0.433 31 S N 0.001 115.238 115.700 -0.772 0.000 2.399 31 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 31 S C 1.811 176.224 174.600 -0.311 0.000 1.022 31 S CA 0.902 58.598 58.200 -0.840 0.000 0.983 31 S CB -0.223 62.163 63.200 -1.357 0.000 0.803 31 S HN 0.301 nan 8.310 nan 0.000 0.480 32 I N 3.076 123.413 120.570 -0.387 0.000 2.235 32 I HA 0.020 4.190 4.170 -0.000 0.000 0.241 32 I C 2.103 178.173 176.117 -0.078 0.000 1.085 32 I CA 0.838 62.015 61.300 -0.205 0.000 1.378 32 I CB -1.754 36.085 38.000 -0.268 0.000 1.076 32 I HN 0.283 nan 8.210 nan 0.000 0.415 33 N N 0.453 119.095 118.700 -0.095 0.000 2.270 33 N HA -0.115 4.625 4.740 -0.000 0.000 0.181 33 N C 0.371 175.876 175.510 -0.008 0.000 1.016 33 N CA 1.042 54.069 53.050 -0.039 0.000 0.870 33 N CB -0.001 38.461 38.487 -0.043 0.000 0.979 33 N HN 0.305 nan 8.380 nan 0.000 0.431 34 D N -1.086 119.313 120.400 -0.002 0.000 2.621 34 D HA 0.239 4.879 4.640 -0.000 0.000 0.274 34 D C -2.192 174.183 176.300 0.125 0.000 1.215 34 D CA -1.764 52.264 54.000 0.046 0.000 0.810 34 D CB 1.067 41.887 40.800 0.033 0.000 1.248 34 D HN -0.098 nan 8.370 nan 0.000 0.517 35 P HA -0.036 nan 4.420 nan 0.000 0.217 35 P C 0.974 178.537 177.300 0.437 0.000 1.150 35 P CA 0.687 64.039 63.100 0.421 0.000 0.832 35 P CB 0.542 32.506 31.700 0.441 0.000 0.787 36 D N -1.105 119.432 120.400 0.228 0.000 2.117 36 D HA -0.097 4.543 4.640 -0.000 0.000 0.197 36 D C 1.794 178.206 176.300 0.187 0.000 0.987 36 D CA 1.484 55.587 54.000 0.172 0.000 0.829 36 D CB -0.747 40.092 40.800 0.064 0.000 0.961 36 D HN 0.159 nan 8.370 nan 0.000 0.460 37 T N 0.574 115.216 114.554 0.148 0.000 2.737 37 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 37 T C 1.759 176.521 174.700 0.104 0.000 1.038 37 T CA 0.520 62.687 62.100 0.112 0.000 1.144 37 T CB -0.502 68.410 68.868 0.074 0.000 0.866 37 T HN 0.086 nan 8.240 nan 0.000 0.434 38 F N 0.370 120.303 119.950 -0.029 0.000 2.069 38 F HA -0.089 4.432 4.527 -0.009 0.000 0.298 38 F C 1.744 177.449 175.800 -0.158 0.000 1.113 38 F CA 1.213 59.094 58.000 -0.198 0.000 1.214 38 F CB -0.395 38.372 39.000 -0.389 0.000 0.978 38 F HN 0.193 nan 8.300 nan 0.000 0.474 39 W N -0.217 121.195 121.300 0.188 0.000 2.737 39 W HA 0.185 4.852 4.660 0.012 0.000 0.262 39 W C 2.518 179.189 176.519 0.253 0.000 1.282 39 W CA 0.687 58.152 57.345 0.201 0.000 1.386 39 W CB -0.788 28.907 29.460 0.392 0.000 1.099 39 W HN 0.092 nan 8.180 nan 0.000 0.621 40 G N 0.585 109.626 108.800 0.402 0.000 2.408 40 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 40 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 40 G C 1.235 176.337 174.900 0.336 0.000 1.150 40 G CA 1.028 46.392 45.100 0.442 0.000 0.776 40 G HN 0.266 nan 8.290 nan 0.000 0.542 41 E N -0.490 119.783 120.200 0.122 0.000 2.046 41 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 41 E C 2.504 179.117 176.600 0.022 0.000 0.982 41 E CA 0.934 57.350 56.400 0.026 0.000 0.800 41 E CB -0.098 29.553 29.700 -0.081 0.000 0.756 41 E HN 0.295 nan 8.360 nan 0.000 0.449 42 Q N 0.497 120.232 119.800 -0.110 0.000 2.226 42 Q HA -0.071 4.269 4.340 -0.000 0.000 0.204 42 Q C 1.890 178.024 176.000 0.224 0.000 0.975 42 Q CA 1.563 57.322 55.803 -0.073 0.000 0.866 42 Q CB -0.581 27.898 28.738 -0.431 0.000 0.915 42 Q HN 0.294 nan 8.270 nan 0.000 0.440 43 G N 0.072 109.099 108.800 0.378 0.000 2.535 43 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 43 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 43 G C 1.150 176.304 174.900 0.424 0.000 1.122 43 G CA 0.399 45.711 45.100 0.352 0.000 0.769 43 G HN 0.196 nan 8.290 nan 0.000 0.549 44 K N 0.143 120.727 120.400 0.306 0.000 2.525 44 K HA 0.149 4.469 4.320 -0.000 0.000 0.192 44 K C 1.962 178.675 176.600 0.188 0.000 1.029 44 K CA -0.162 56.275 56.287 0.249 0.000 1.029 44 K CB -0.089 32.493 32.500 0.136 0.000 0.814 44 K HN 0.468 nan 8.250 nan 0.000 0.503 45 I N 0.828 121.497 120.570 0.164 0.000 2.623 45 I HA -0.193 3.977 4.170 -0.000 0.000 0.261 45 I C 0.182 176.343 176.117 0.075 0.000 1.204 45 I CA 0.863 62.226 61.300 0.104 0.000 1.444 45 I CB 0.252 38.303 38.000 0.084 0.000 1.094 45 I HN -0.002 nan 8.210 nan 0.000 0.451 46 L N 0.282 121.567 121.223 0.104 0.000 2.322 46 L HA 0.405 4.745 4.340 -0.000 0.000 0.269 46 L C -0.763 176.095 176.870 -0.019 0.000 1.012 46 L CA -1.163 53.648 54.840 -0.048 0.000 0.815 46 L CB 1.122 43.029 42.059 -0.254 0.000 1.295 46 L HN -0.150 nan 8.230 nan 0.000 0.438 47 D N 0.389 120.701 120.400 -0.148 0.000 2.256 47 D HA 0.313 4.953 4.640 -0.000 0.000 0.250 47 D C -1.019 175.123 176.300 -0.263 0.000 1.093 47 D CA 0.182 54.136 54.000 -0.076 0.000 0.882 47 D CB 0.962 41.706 40.800 -0.093 0.000 1.185 47 D HN 0.158 nan 8.370 nan 0.000 0.437 48 W N 1.272 122.556 121.300 -0.026 0.000 2.627 48 W HA 0.421 5.081 4.660 -0.001 0.000 0.339 48 W C 1.150 177.658 176.519 -0.018 0.000 1.058 48 W CA -0.666 56.672 57.345 -0.013 0.000 1.223 48 W CB 0.793 30.243 29.460 -0.017 0.000 1.389 48 W HN 0.292 nan 8.180 nan 0.000 0.541 49 I N 0.801 121.485 120.570 0.190 0.000 2.270 49 I HA -0.057 4.113 4.170 -0.000 0.000 0.239 49 I C 1.431 177.624 176.117 0.127 0.000 1.080 49 I CA 0.960 62.328 61.300 0.113 0.000 1.383 49 I CB -0.336 37.703 38.000 0.064 0.000 1.097 49 I HN 0.376 nan 8.210 nan 0.000 0.420 50 T N 1.468 116.120 114.554 0.163 0.000 2.771 50 T HA 0.405 4.755 4.350 -0.000 0.000 0.281 50 T C -2.611 172.167 174.700 0.129 0.000 0.982 50 T CA -2.366 59.804 62.100 0.117 0.000 0.978 50 T CB 1.472 70.388 68.868 0.079 0.000 0.930 50 T HN -0.142 nan 8.240 nan 0.000 0.447 51 P HA 0.103 nan 4.420 nan 0.000 0.268 51 P C -0.384 176.745 177.300 -0.285 0.000 1.205 51 P CA -0.240 62.696 63.100 -0.274 0.000 0.771 51 P CB 0.050 31.570 31.700 -0.300 0.000 0.858 52 Y N 0.599 120.688 120.300 -0.352 0.000 2.357 52 Y HA 0.217 4.765 4.550 -0.002 0.000 0.340 52 Y C 1.500 177.324 175.900 -0.126 0.000 1.260 52 Y CA -0.224 57.739 58.100 -0.229 0.000 1.425 52 Y CB -0.110 38.173 38.460 -0.296 0.000 1.326 52 Y HN 0.402 nan 8.280 nan 0.000 0.580 53 Q N 0.660 120.540 119.800 0.134 0.000 2.619 53 Q HA 0.200 4.540 4.340 -0.000 0.000 0.230 53 Q C -0.162 175.914 176.000 0.126 0.000 0.871 53 Q CA -0.195 55.661 55.803 0.088 0.000 0.934 53 Q CB 0.399 29.152 28.738 0.025 0.000 1.183 53 Q HN 0.611 nan 8.270 nan 0.000 0.631 54 K N 0.734 121.182 120.400 0.080 0.000 2.382 54 K HA 0.121 4.441 4.320 -0.000 0.000 0.275 54 K C 0.118 176.696 176.600 -0.037 0.000 1.009 54 K CA -0.198 56.091 56.287 0.003 0.000 0.970 54 K CB 1.296 33.772 32.500 -0.040 0.000 0.934 54 K HN -0.063 nan 8.250 nan 0.000 0.479 55 V N 1.698 121.523 119.914 -0.148 0.000 3.669 55 V HA 0.072 4.192 4.120 -0.000 0.000 0.203 55 V C 0.036 175.794 176.094 -0.560 0.000 1.149 55 V CA 0.099 62.197 62.300 -0.336 0.000 1.346 55 V CB 0.037 31.774 31.823 -0.142 0.000 1.510 55 V HN 0.608 nan 8.190 nan 0.000 0.506 56 K N 2.306 122.350 120.400 -0.593 0.000 2.262 56 K HA 0.283 4.603 4.320 -0.000 0.000 0.282 56 K C -0.878 175.307 176.600 -0.690 0.000 1.066 56 K CA -0.020 55.636 56.287 -1.053 0.000 0.901 56 K CB 0.265 32.266 32.500 -0.831 0.000 1.089 56 K HN 0.397 nan 8.250 nan 0.000 0.476 57 N N 3.162 121.412 118.700 -0.749 0.000 2.710 57 N HA 0.100 4.840 4.740 -0.000 0.000 0.244 57 N C -1.864 173.408 175.510 -0.396 0.000 1.321 57 N CA -0.309 52.479 53.050 -0.437 0.000 0.758 57 N CB 1.174 39.479 38.487 -0.304 0.000 1.284 57 N HN 0.661 nan 8.380 nan 0.000 0.530 58 T N -1.467 112.867 114.554 -0.367 0.000 2.883 58 T HA 0.812 5.162 4.350 -0.000 0.000 0.301 58 T C -1.118 173.448 174.700 -0.224 0.000 1.158 58 T CA -0.706 61.221 62.100 -0.288 0.000 1.007 58 T CB 1.750 70.415 68.868 -0.338 0.000 1.186 58 T HN 0.145 nan 8.240 nan 0.000 0.499 59 S N 0.370 115.980 115.700 -0.149 0.000 2.548 59 S HA 0.519 4.989 4.470 -0.000 0.000 0.278 59 S C -1.102 173.562 174.600 0.107 0.000 1.150 59 S CA -0.886 57.260 58.200 -0.090 0.000 0.907 59 S CB 0.745 63.917 63.200 -0.047 0.000 1.108 59 S HN 0.728 nan 8.310 nan 0.000 0.459 60 F N 2.347 122.280 119.950 -0.029 0.000 2.647 60 F HA 0.375 4.902 4.527 0.001 0.000 0.300 60 F C 1.395 177.189 175.800 -0.010 0.000 1.106 60 F CA -0.632 57.331 58.000 -0.061 0.000 1.313 60 F CB 0.470 39.602 39.000 0.220 0.000 1.007 60 F HN 0.706 nan 8.300 nan 0.000 0.536 61 A N 1.719 124.629 122.820 0.151 0.000 2.488 61 A HA 0.252 4.572 4.320 -0.000 0.000 0.249 61 A C -2.249 175.388 177.584 0.088 0.000 1.083 61 A CA -1.308 50.797 52.037 0.112 0.000 0.768 61 A CB -0.413 18.627 19.000 0.066 0.000 1.017 61 A HN -0.031 nan 8.150 nan 0.000 0.496 62 P HA 0.059 nan 4.420 nan 0.000 0.259 62 P C 1.151 178.485 177.300 0.057 0.000 1.163 62 P CA 2.178 65.326 63.100 0.079 0.000 0.760 62 P CB 0.243 31.987 31.700 0.073 0.000 0.762 63 G N 2.963 111.794 108.800 0.053 0.000 2.189 63 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 63 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 63 G C 0.362 175.299 174.900 0.061 0.000 0.975 63 G CA -0.111 45.021 45.100 0.054 0.000 0.644 63 G HN 0.619 nan 8.290 nan 0.000 0.537 64 N N -0.034 118.699 118.700 0.055 0.000 2.664 64 N HA 0.291 5.031 4.740 -0.000 0.000 0.287 64 N C -0.270 175.270 175.510 0.049 0.000 1.869 64 N CA -0.105 52.979 53.050 0.056 0.000 0.832 64 N CB 1.553 40.059 38.487 0.032 0.000 1.293 64 N HN 0.128 nan 8.380 nan 0.000 0.498 65 V N 1.067 121.018 119.914 0.062 0.000 2.455 65 V HA 0.329 4.449 4.120 -0.000 0.000 0.273 65 V C 0.481 176.658 176.094 0.139 0.000 1.045 65 V CA 0.127 62.415 62.300 -0.021 0.000 0.976 65 V CB 1.097 32.707 31.823 -0.356 0.000 0.993 65 V HN 0.369 nan 8.190 nan 0.000 0.475 66 S N 6.471 122.211 115.700 0.068 0.000 2.689 66 S HA 0.628 5.098 4.470 -0.000 0.000 0.274 66 S C -1.100 173.505 174.600 0.007 0.000 1.176 66 S CA -0.564 57.655 58.200 0.032 0.000 1.014 66 S CB 0.640 63.826 63.200 -0.024 0.000 1.071 66 S HN 0.524 nan 8.310 nan 0.000 0.478 67 I N 4.721 125.306 120.570 0.025 0.000 2.390 67 I HA 0.483 4.653 4.170 -0.000 0.000 0.283 67 I C -0.421 175.680 176.117 -0.027 0.000 1.016 67 I CA -0.442 60.867 61.300 0.015 0.000 1.151 67 I CB 1.600 39.672 38.000 0.120 0.000 1.293 67 I HN 0.402 nan 8.210 nan 0.000 0.458 68 K N 5.437 125.742 120.400 -0.158 0.000 2.443 68 K HA 0.532 4.852 4.320 -0.000 0.000 0.252 68 K C -1.834 174.562 176.600 -0.340 0.000 0.933 68 K CA -0.639 55.565 56.287 -0.138 0.000 0.792 68 K CB 2.275 34.697 32.500 -0.130 0.000 1.185 68 K HN 0.339 nan 8.250 nan 0.000 0.425 69 W N 2.496 123.706 121.300 -0.149 0.000 2.781 69 W HA 0.271 4.929 4.660 -0.003 0.000 0.333 69 W C -0.538 175.900 176.519 -0.135 0.000 1.047 69 W CA -0.238 56.925 57.345 -0.303 0.000 1.236 69 W CB 0.823 30.084 29.460 -0.332 0.000 1.394 69 W HN 0.641 nan 8.180 nan 0.000 0.466 70 Y N 0.664 120.970 120.300 0.009 0.000 3.589 70 Y HA -0.390 4.159 4.550 -0.002 0.000 0.218 70 Y C 1.914 177.829 175.900 0.025 0.000 1.234 70 Y CA 1.002 59.019 58.100 -0.139 0.000 1.576 70 Y CB -1.521 36.796 38.460 -0.237 0.000 1.487 70 Y HN 0.612 nan 8.280 nan 0.000 0.616 71 E N 0.630 120.896 120.200 0.111 0.000 2.153 71 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 71 E C 1.176 177.852 176.600 0.126 0.000 0.988 71 E CA 1.650 58.115 56.400 0.108 0.000 0.811 71 E CB -0.161 29.553 29.700 0.025 0.000 0.746 71 E HN 0.686 nan 8.360 nan 0.000 0.466 72 D N 1.055 121.525 120.400 0.117 0.000 2.325 72 D HA 0.137 4.777 4.640 -0.000 0.000 0.225 72 D C 0.511 176.899 176.300 0.147 0.000 1.096 72 D CA 0.048 54.112 54.000 0.105 0.000 0.844 72 D CB 0.162 41.002 40.800 0.066 0.000 0.925 72 D HN 0.192 nan 8.370 nan 0.000 0.513 73 G N -0.349 108.587 108.800 0.228 0.000 2.410 73 G HA2 0.558 4.518 3.960 -0.000 0.000 0.330 73 G HA3 0.558 4.518 3.960 -0.000 0.000 0.330 73 G C -0.295 174.880 174.900 0.458 0.000 1.142 73 G CA -0.555 44.736 45.100 0.318 0.000 0.902 73 G HN 0.202 nan 8.290 nan 0.000 0.491 74 T N -1.457 113.373 114.554 0.460 0.000 2.924 74 T HA 0.804 5.154 4.350 -0.000 0.000 0.291 74 T C -0.262 174.596 174.700 0.262 0.000 1.045 74 T CA -0.553 61.731 62.100 0.307 0.000 1.015 74 T CB 1.700 70.669 68.868 0.168 0.000 1.103 74 T HN 1.431 nan 8.240 nan 0.000 0.496 75 L N -1.147 120.097 121.223 0.034 0.000 3.119 75 L HA 0.778 5.117 4.340 -0.000 0.000 0.283 75 L C -2.055 174.740 176.870 -0.126 0.000 1.028 75 L CA -1.302 53.441 54.840 -0.161 0.000 0.975 75 L CB 1.747 43.449 42.059 -0.595 0.000 1.543 75 L HN 0.842 nan 8.230 nan 0.000 0.390 76 N N -0.468 118.138 118.700 -0.157 0.000 2.310 76 N HA 0.447 5.187 4.740 -0.000 0.000 0.292 76 N C 0.009 175.444 175.510 -0.124 0.000 1.049 76 N CA -0.734 52.258 53.050 -0.097 0.000 0.849 76 N CB 2.421 40.886 38.487 -0.037 0.000 1.532 76 N HN 0.883 nan 8.380 nan 0.000 0.479 77 L N 3.704 124.862 121.223 -0.110 0.000 2.056 77 L HA 0.134 4.474 4.340 -0.000 0.000 0.207 77 L C 1.899 178.734 176.870 -0.057 0.000 1.078 77 L CA 1.834 56.599 54.840 -0.127 0.000 0.749 77 L CB -0.216 41.733 42.059 -0.183 0.000 0.901 77 L HN 0.755 nan 8.230 nan 0.000 0.433 78 A N -0.158 122.660 122.820 -0.004 0.000 1.969 78 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 78 A C 2.385 180.017 177.584 0.080 0.000 1.169 78 A CA 1.405 53.482 52.037 0.066 0.000 0.635 78 A CB -0.816 18.237 19.000 0.087 0.000 0.810 78 A HN 0.585 nan 8.150 nan 0.000 0.445 79 A N -0.149 122.691 122.820 0.033 0.000 2.014 79 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 79 A C 1.914 179.457 177.584 -0.068 0.000 1.163 79 A CA 1.316 53.359 52.037 0.010 0.000 0.652 79 A CB -0.478 18.514 19.000 -0.013 0.000 0.808 79 A HN 0.566 nan 8.150 nan 0.000 0.449 80 N N -0.645 118.001 118.700 -0.091 0.000 2.354 80 N HA -0.085 4.655 4.740 -0.000 0.000 0.179 80 N C 1.156 176.649 175.510 -0.028 0.000 1.021 80 N CA 1.307 54.277 53.050 -0.132 0.000 0.887 80 N CB -0.119 38.273 38.487 -0.158 0.000 0.974 80 N HN 0.484 nan 8.380 nan 0.000 0.437 81 C N -0.300 119.057 119.300 0.095 0.000 2.799 81 C HA 0.339 4.798 4.460 -0.000 0.000 0.267 81 C C 2.112 177.360 174.990 0.431 0.000 1.257 81 C CA -0.174 59.006 59.018 0.270 0.000 1.702 81 C CB -0.622 27.246 27.740 0.213 0.000 1.934 81 C HN 0.318 nan 8.230 nan 0.000 0.594 82 L N -1.128 120.277 121.223 0.304 0.000 2.692 82 L HA 0.243 4.583 4.340 -0.000 0.000 0.175 82 L C 1.601 178.569 176.870 0.163 0.000 1.112 82 L CA 0.280 55.344 54.840 0.372 0.000 0.908 82 L CB -0.741 41.540 42.059 0.370 0.000 1.672 82 L HN -0.131 nan 8.230 nan 0.000 0.500 83 D N 1.399 121.849 120.400 0.083 0.000 2.116 83 D HA -0.198 4.442 4.640 -0.000 0.000 0.193 83 D C 1.992 178.198 176.300 -0.156 0.000 0.998 83 D CA 1.688 55.645 54.000 -0.071 0.000 0.836 83 D CB -0.175 40.635 40.800 0.016 0.000 0.951 83 D HN 0.310 nan 8.370 nan 0.000 0.449 84 R N -0.126 120.233 120.500 -0.234 0.000 2.280 84 R HA -0.039 4.301 4.340 -0.000 0.000 0.207 84 R C 1.043 177.127 176.300 -0.359 0.000 1.043 84 R CA 1.024 56.939 56.100 -0.307 0.000 1.006 84 R CB -0.373 29.712 30.300 -0.359 0.000 0.885 84 R HN 0.344 nan 8.270 nan 0.000 0.467 85 H N 0.431 119.416 119.070 -0.141 0.000 2.563 85 H HA 0.163 4.719 4.556 -0.001 0.000 0.264 85 H C 1.942 177.154 175.328 -0.193 0.000 0.957 85 H CA 0.309 56.208 56.048 -0.249 0.000 1.173 85 H CB 0.322 29.746 29.762 -0.562 0.000 1.420 85 H HN 0.181 nan 8.280 nan 0.000 0.551 86 L N 0.503 121.692 121.223 -0.056 0.000 2.017 86 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 86 L C 2.757 179.605 176.870 -0.038 0.000 1.073 86 L CA 1.313 56.121 54.840 -0.052 0.000 0.745 86 L CB -0.410 41.563 42.059 -0.143 0.000 0.894 86 L HN 0.240 nan 8.230 nan 0.000 0.432 87 Q N -0.058 119.713 119.800 -0.048 0.000 2.077 87 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 87 Q C 1.843 177.835 176.000 -0.012 0.000 0.989 87 Q CA 1.788 57.574 55.803 -0.029 0.000 0.853 87 Q CB 0.214 28.933 28.738 -0.031 0.000 0.907 87 Q HN 0.429 nan 8.270 nan 0.000 0.418 88 E N -0.780 119.414 120.200 -0.012 0.000 2.389 88 E HA 0.059 4.409 4.350 -0.000 0.000 0.199 88 E C 0.247 176.849 176.600 0.004 0.000 0.978 88 E CA 0.420 56.821 56.400 0.000 0.000 0.912 88 E CB 0.432 30.134 29.700 0.004 0.000 0.907 88 E HN 0.371 nan 8.360 nan 0.000 0.494 89 N N -0.495 118.198 118.700 -0.011 0.000 2.305 89 N HA 0.107 4.847 4.740 -0.000 0.000 0.248 89 N C 1.151 176.673 175.510 0.020 0.000 1.290 89 N CA 0.207 53.247 53.050 -0.017 0.000 0.873 89 N CB 1.224 39.656 38.487 -0.092 0.000 1.261 89 N HN 0.062 nan 8.380 nan 0.000 0.504 90 G N 0.401 109.228 108.800 0.045 0.000 2.485 90 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.221 90 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.221 90 G C 1.006 175.994 174.900 0.148 0.000 1.115 90 G CA 0.956 46.119 45.100 0.105 0.000 0.751 90 G HN 0.240 nan 8.290 nan 0.000 0.567 91 D N -0.697 119.770 120.400 0.111 0.000 2.339 91 D HA 0.070 4.710 4.640 -0.000 0.000 0.217 91 D C 1.258 177.640 176.300 0.137 0.000 1.050 91 D CA -0.140 53.926 54.000 0.110 0.000 0.856 91 D CB 0.237 41.080 40.800 0.073 0.000 0.922 91 D HN 0.221 nan 8.370 nan 0.000 0.518 92 R N 0.939 121.547 120.500 0.181 0.000 2.543 92 R HA 0.111 4.451 4.340 -0.000 0.000 0.277 92 R C -0.302 176.167 176.300 0.281 0.000 1.074 92 R CA 0.031 56.262 56.100 0.219 0.000 1.076 92 R CB 0.468 30.897 30.300 0.215 0.000 0.993 92 R HN -0.156 nan 8.270 nan 0.000 0.459 93 T N 3.679 118.356 114.554 0.205 0.000 2.817 93 T HA 0.073 4.423 4.350 -0.000 0.000 0.295 93 T C 1.020 175.752 174.700 0.053 0.000 0.958 93 T CA 0.164 62.350 62.100 0.143 0.000 1.157 93 T CB 1.342 70.326 68.868 0.195 0.000 0.898 93 T HN 0.741 nan 8.240 nan 0.000 0.536 94 A N 4.366 127.046 122.820 -0.233 0.000 1.887 94 A HA 0.364 4.684 4.320 -0.000 0.000 0.212 94 A C 0.767 178.176 177.584 -0.293 0.000 1.198 94 A CA 0.573 52.208 52.037 -0.670 0.000 0.628 94 A CB 0.117 18.400 19.000 -1.195 0.000 0.847 94 A HN 0.764 nan 8.150 nan 0.000 0.449 95 I N 0.353 120.809 120.570 -0.189 0.000 2.499 95 I HA 0.334 4.504 4.170 -0.000 0.000 0.288 95 I C -1.291 174.749 176.117 -0.129 0.000 1.048 95 I CA -0.397 60.829 61.300 -0.123 0.000 1.062 95 I CB 2.189 40.123 38.000 -0.110 0.000 1.238 95 I HN 0.084 nan 8.210 nan 0.000 0.426 96 I N 5.058 125.513 120.570 -0.191 0.000 2.325 96 I HA 0.151 4.321 4.170 -0.000 0.000 0.291 96 I C -0.953 174.999 176.117 -0.275 0.000 1.019 96 I CA -0.217 60.844 61.300 -0.399 0.000 1.302 96 I CB 0.806 38.444 38.000 -0.604 0.000 1.401 96 I HN 0.575 nan 8.210 nan 0.000 0.485 97 W N 7.892 128.961 121.300 -0.385 0.000 2.376 97 W HA 0.426 5.085 4.660 -0.001 0.000 0.312 97 W C -0.359 176.023 176.519 -0.228 0.000 1.060 97 W CA -0.656 56.533 57.345 -0.260 0.000 1.221 97 W CB 1.145 30.494 29.460 -0.186 0.000 1.281 97 W HN 0.379 nan 8.180 nan 0.000 0.456 98 E N 4.533 124.241 120.200 -0.821 0.000 2.129 98 E HA 0.547 4.897 4.350 -0.000 0.000 0.268 98 E C 0.246 176.260 176.600 -0.976 0.000 0.900 98 E CA -0.607 55.387 56.400 -0.676 0.000 0.755 98 E CB 1.081 30.595 29.700 -0.311 0.000 1.117 98 E HN 0.545 nan 8.360 nan 0.000 0.410 99 G N 3.187 111.319 108.800 -1.114 0.000 2.539 99 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.258 99 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.258 99 G C 0.537 175.259 174.900 -0.297 0.000 1.202 99 G CA -0.203 44.351 45.100 -0.910 0.000 0.851 99 G HN 0.745 nan 8.290 nan 0.000 0.556 100 D N -0.622 119.636 120.400 -0.235 0.000 2.133 100 D HA -0.172 4.468 4.640 -0.000 0.000 0.192 100 D C 0.830 177.228 176.300 0.164 0.000 1.001 100 D CA 1.234 55.196 54.000 -0.063 0.000 0.844 100 D CB 0.134 40.853 40.800 -0.134 0.000 0.944 100 D HN 0.333 nan 8.370 nan 0.000 0.447 101 D N -0.774 119.684 120.400 0.096 0.000 2.336 101 D HA -0.005 4.635 4.640 -0.000 0.000 0.249 101 D C 0.621 176.944 176.300 0.039 0.000 1.213 101 D CA 0.229 54.303 54.000 0.123 0.000 0.870 101 D CB 1.210 42.065 40.800 0.091 0.000 1.076 101 D HN -0.049 nan 8.370 nan 0.000 0.483 102 T N 1.719 116.303 114.554 0.050 0.000 3.025 102 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 102 T C 1.709 176.399 174.700 -0.016 0.000 1.126 102 T CA 1.699 63.798 62.100 -0.001 0.000 1.105 102 T CB -0.001 68.858 68.868 -0.015 0.000 0.884 102 T HN 0.464 nan 8.240 nan 0.000 0.522 103 S N -0.177 115.525 115.700 0.004 0.000 2.561 103 S HA 0.130 4.600 4.470 -0.000 0.000 0.225 103 S C 0.720 175.336 174.600 0.027 0.000 0.977 103 S CA -0.092 58.115 58.200 0.012 0.000 0.926 103 S CB -0.118 63.094 63.200 0.020 0.000 0.769 103 S HN 0.597 nan 8.310 nan 0.000 0.533 104 Q N 1.931 121.738 119.800 0.011 0.000 2.347 104 Q HA 0.592 4.932 4.340 -0.000 0.000 0.262 104 Q C -0.711 175.270 176.000 -0.032 0.000 0.980 104 Q CA -0.446 55.389 55.803 0.054 0.000 0.867 104 Q CB 1.736 30.539 28.738 0.108 0.000 1.242 104 Q HN 0.573 nan 8.270 nan 0.000 0.453 105 S N 2.155 117.918 115.700 0.106 0.000 2.656 105 S HA 0.724 5.194 4.470 -0.000 0.000 0.273 105 S C -1.183 173.577 174.600 0.266 0.000 1.168 105 S CA -1.017 57.253 58.200 0.116 0.000 0.817 105 S CB 2.288 65.520 63.200 0.054 0.000 1.146 105 S HN 0.438 nan 8.310 nan 0.000 0.475 106 K N 0.219 120.756 120.400 0.228 0.000 2.527 106 K HA 0.434 4.754 4.320 -0.000 0.000 0.260 106 K C -2.065 174.524 176.600 -0.019 0.000 0.937 106 K CA -0.621 55.773 56.287 0.178 0.000 0.826 106 K CB 1.742 34.346 32.500 0.174 0.000 1.359 106 K HN 0.759 nan 8.250 nan 0.000 0.434 107 H N 1.476 120.580 119.070 0.057 0.000 2.551 107 H HA 0.404 4.959 4.556 -0.000 0.000 0.321 107 H C -0.690 174.645 175.328 0.013 0.000 1.028 107 H CA -0.367 55.696 56.048 0.025 0.000 1.215 107 H CB 0.692 30.473 29.762 0.031 0.000 1.414 107 H HN 0.274 nan 8.280 nan 0.000 0.480 108 I N 2.817 123.415 120.570 0.047 0.000 2.328 108 I HA 0.143 4.313 4.170 -0.000 0.000 0.287 108 I C 0.301 176.413 176.117 -0.009 0.000 1.012 108 I CA -0.609 60.696 61.300 0.008 0.000 1.195 108 I CB 0.923 38.893 38.000 -0.050 0.000 1.350 108 I HN 0.593 nan 8.210 nan 0.000 0.464 109 S N 4.954 120.680 115.700 0.043 0.000 2.573 109 S HA 0.072 4.542 4.470 -0.000 0.000 0.277 109 S C 1.165 175.792 174.600 0.045 0.000 1.346 109 S CA 0.019 58.263 58.200 0.074 0.000 1.034 109 S CB 0.458 63.723 63.200 0.110 0.000 0.879 109 S HN 0.528 nan 8.310 nan 0.000 0.528 110 Y N 1.774 122.116 120.300 0.069 0.000 2.139 110 Y HA -0.209 4.341 4.550 0.000 0.000 0.282 110 Y C 2.872 178.836 175.900 0.106 0.000 1.179 110 Y CA 2.348 60.499 58.100 0.084 0.000 1.161 110 Y CB -0.365 38.142 38.460 0.079 0.000 0.970 110 Y HN 0.743 nan 8.280 nan 0.000 0.511 111 R N 0.644 121.285 120.500 0.236 0.000 2.082 111 R HA -0.231 4.109 4.340 -0.000 0.000 0.234 111 R C 2.030 178.434 176.300 0.173 0.000 1.136 111 R CA 2.295 58.501 56.100 0.177 0.000 0.935 111 R CB -0.283 30.091 30.300 0.124 0.000 0.842 111 R HN 0.410 nan 8.270 nan 0.000 0.430 112 E N 0.185 120.456 120.200 0.118 0.000 2.130 112 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 112 E C 1.925 178.572 176.600 0.078 0.000 0.998 112 E CA 1.366 57.817 56.400 0.084 0.000 0.806 112 E CB -0.192 29.539 29.700 0.053 0.000 0.738 112 E HN 0.244 nan 8.360 nan 0.000 0.459 113 L N 0.613 121.879 121.223 0.072 0.000 2.109 113 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 113 L C 2.322 179.256 176.870 0.106 0.000 1.086 113 L CA 1.801 56.666 54.840 0.043 0.000 0.760 113 L CB -0.553 41.484 42.059 -0.037 0.000 0.910 113 L HN 0.223 nan 8.230 nan 0.000 0.437 114 H N 0.097 119.214 119.070 0.077 0.000 2.293 114 H HA -0.227 4.329 4.556 0.000 0.000 0.300 114 H C 2.372 177.747 175.328 0.080 0.000 1.082 114 H CA 2.087 58.193 56.048 0.096 0.000 1.308 114 H CB 0.068 29.903 29.762 0.121 0.000 1.375 114 H HN 0.311 nan 8.280 nan 0.000 0.495 115 R N 0.183 120.739 120.500 0.094 0.000 2.103 115 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 115 R C 1.864 178.155 176.300 -0.016 0.000 1.142 115 R CA 2.226 58.341 56.100 0.026 0.000 0.960 115 R CB -0.084 30.273 30.300 0.095 0.000 0.858 115 R HN 0.369 nan 8.270 nan 0.000 0.439 116 D N -0.605 119.807 120.400 0.021 0.000 2.149 116 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 116 D C 1.909 178.235 176.300 0.042 0.000 0.972 116 D CA 0.963 54.990 54.000 0.044 0.000 0.835 116 D CB -0.035 40.805 40.800 0.068 0.000 0.966 116 D HN 0.074 nan 8.370 nan 0.000 0.476 117 V N 0.542 120.461 119.914 0.008 0.000 2.392 117 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 117 V C 2.610 178.664 176.094 -0.066 0.000 1.059 117 V CA 1.220 63.525 62.300 0.009 0.000 1.051 117 V CB -0.475 31.353 31.823 0.008 0.000 0.658 117 V HN 0.297 nan 8.190 nan 0.000 0.455 118 C N -0.349 118.859 119.300 -0.153 0.000 2.446 118 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 118 C C 2.878 177.797 174.990 -0.120 0.000 1.275 118 C CA 0.673 59.592 59.018 -0.166 0.000 1.727 118 C CB -1.108 26.521 27.740 -0.184 0.000 2.010 118 C HN 0.503 nan 8.230 nan 0.000 0.486 119 R N -0.367 120.096 120.500 -0.063 0.000 2.081 119 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 119 R C 2.075 178.324 176.300 -0.085 0.000 1.131 119 R CA 1.452 57.521 56.100 -0.053 0.000 0.960 119 R CB -0.647 29.646 30.300 -0.012 0.000 0.856 119 R HN 0.508 nan 8.270 nan 0.000 0.436 120 F N 1.411 121.237 119.950 -0.206 0.000 2.325 120 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 120 F C 2.299 177.951 175.800 -0.246 0.000 1.090 120 F CA 0.794 58.633 58.000 -0.269 0.000 1.392 120 F CB -0.168 38.671 39.000 -0.269 0.000 1.053 120 F HN -0.016 nan 8.300 nan 0.000 0.521 121 A N 0.364 123.050 122.820 -0.224 0.000 1.858 121 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 121 A C 2.168 179.518 177.584 -0.390 0.000 1.190 121 A CA 1.878 53.686 52.037 -0.383 0.000 0.617 121 A CB -0.922 17.678 19.000 -0.666 0.000 0.827 121 A HN 0.410 nan 8.150 nan 0.000 0.443 122 N N -0.136 118.375 118.700 -0.315 0.000 2.094 122 N HA -0.127 4.613 4.740 -0.000 0.000 0.191 122 N C 1.762 177.122 175.510 -0.249 0.000 1.023 122 N CA 1.991 54.926 53.050 -0.191 0.000 0.857 122 N CB -0.806 37.620 38.487 -0.101 0.000 1.013 122 N HN 0.537 nan 8.380 nan 0.000 0.426 123 T N 2.159 116.491 114.554 -0.371 0.000 2.708 123 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 123 T C 2.202 176.609 174.700 -0.488 0.000 1.037 123 T CA 0.682 62.504 62.100 -0.463 0.000 1.146 123 T CB -0.298 68.160 68.868 -0.684 0.000 0.865 123 T HN 0.145 nan 8.240 nan 0.000 0.435 124 L N 0.411 121.272 121.223 -0.603 0.000 2.012 124 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 124 L C 2.541 179.267 176.870 -0.240 0.000 1.073 124 L CA 1.240 55.827 54.840 -0.422 0.000 0.748 124 L CB -0.691 41.144 42.059 -0.373 0.000 0.891 124 L HN 0.246 nan 8.230 nan 0.000 0.431 125 L N -0.450 120.650 121.223 -0.205 0.000 2.083 125 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 125 L C 2.097 178.905 176.870 -0.103 0.000 1.083 125 L CA 1.056 55.827 54.840 -0.115 0.000 0.752 125 L CB -0.569 41.449 42.059 -0.069 0.000 0.899 125 L HN 0.294 nan 8.230 nan 0.000 0.433 126 D N -0.441 119.879 120.400 -0.134 0.000 2.234 126 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 126 D C 2.014 178.246 176.300 -0.112 0.000 0.962 126 D CA 0.700 54.634 54.000 -0.110 0.000 0.855 126 D CB 0.063 40.789 40.800 -0.122 0.000 0.951 126 D HN 0.118 nan 8.370 nan 0.000 0.500 127 L N -0.214 120.921 121.223 -0.146 0.000 2.551 127 L HA 0.154 4.494 4.340 -0.000 0.000 0.228 127 L C 1.639 178.480 176.870 -0.048 0.000 1.153 127 L CA 1.033 55.795 54.840 -0.131 0.000 0.851 127 L CB -0.602 41.352 42.059 -0.176 0.000 0.959 127 L HN 0.243 nan 8.230 nan 0.000 0.451 128 G N -1.339 107.430 108.800 -0.053 0.000 2.159 128 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.227 128 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.227 128 G C 0.386 175.273 174.900 -0.022 0.000 0.986 128 G CA -0.067 45.019 45.100 -0.024 0.000 0.651 128 G HN 0.113 nan 8.290 nan 0.000 0.523 129 I N 1.227 121.773 120.570 -0.039 0.000 2.618 129 I HA 0.294 4.464 4.170 -0.000 0.000 0.284 129 I C 0.786 176.889 176.117 -0.023 0.000 1.146 129 I CA 0.537 61.819 61.300 -0.030 0.000 1.425 129 I CB 0.528 38.499 38.000 -0.049 0.000 1.383 129 I HN 0.178 nan 8.210 nan 0.000 0.562 130 K N 4.529 124.925 120.400 -0.006 0.000 2.340 130 K HA 0.376 4.696 4.320 -0.000 0.000 0.244 130 K C -0.347 176.260 176.600 0.011 0.000 0.973 130 K CA -1.151 55.137 56.287 0.003 0.000 0.828 130 K CB 1.999 34.502 32.500 0.006 0.000 1.226 130 K HN 0.345 nan 8.250 nan 0.000 0.437 131 K N 0.480 120.890 120.400 0.016 0.000 2.543 131 K HA -0.136 4.184 4.320 -0.000 0.000 0.279 131 K C 0.721 177.334 176.600 0.021 0.000 1.001 131 K CA 1.748 58.047 56.287 0.020 0.000 1.088 131 K CB -0.251 32.262 32.500 0.021 0.000 0.863 131 K HN 0.783 nan 8.250 nan 0.000 0.488 132 G N 3.031 111.845 108.800 0.024 0.000 2.241 132 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 132 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 132 G C -0.384 174.540 174.900 0.040 0.000 0.998 132 G CA 0.218 45.338 45.100 0.034 0.000 0.621 132 G HN 0.743 nan 8.290 nan 0.000 0.519 133 D N 0.858 121.275 120.400 0.029 0.000 2.424 133 D HA 0.414 5.054 4.640 -0.000 0.000 0.244 133 D C 0.769 177.077 176.300 0.014 0.000 1.134 133 D CA 0.054 54.069 54.000 0.025 0.000 0.881 133 D CB 1.689 42.500 40.800 0.017 0.000 1.191 133 D HN 0.194 nan 8.370 nan 0.000 0.445 134 V N 2.757 122.667 119.914 -0.006 0.000 2.488 134 V HA 0.162 4.282 4.120 -0.000 0.000 0.277 134 V C 0.449 176.550 176.094 0.012 0.000 1.046 134 V CA -0.504 61.778 62.300 -0.031 0.000 0.986 134 V CB 1.479 33.221 31.823 -0.135 0.000 0.989 134 V HN 0.209 nan 8.190 nan 0.000 0.475 135 V N 4.520 124.469 119.914 0.058 0.000 2.409 135 V HA 0.632 4.752 4.120 -0.000 0.000 0.291 135 V C 0.460 176.621 176.094 0.110 0.000 1.020 135 V CA -0.680 61.672 62.300 0.086 0.000 0.848 135 V CB 1.670 33.565 31.823 0.120 0.000 0.990 135 V HN 0.976 nan 8.190 nan 0.000 0.430 136 A N 6.663 129.530 122.820 0.078 0.000 2.354 136 A HA 0.739 5.059 4.320 -0.000 0.000 0.281 136 A C -0.420 177.229 177.584 0.107 0.000 1.174 136 A CA -0.081 52.004 52.037 0.080 0.000 0.828 136 A CB -0.132 18.879 19.000 0.018 0.000 1.099 136 A HN 0.785 nan 8.150 nan 0.000 0.516 137 I N 2.699 123.343 120.570 0.124 0.000 2.382 137 I HA 0.220 4.390 4.170 -0.000 0.000 0.286 137 I C -1.054 175.148 176.117 0.141 0.000 1.002 137 I CA -0.217 61.146 61.300 0.104 0.000 1.135 137 I CB 1.353 39.368 38.000 0.025 0.000 1.288 137 I HN 0.703 nan 8.210 nan 0.000 0.448 138 Y N 8.393 128.673 120.300 -0.032 0.000 2.787 138 Y HA 0.575 5.125 4.550 -0.000 0.000 0.352 138 Y C -1.097 174.748 175.900 -0.092 0.000 1.027 138 Y CA -0.772 57.293 58.100 -0.059 0.000 1.219 138 Y CB 0.496 38.928 38.460 -0.047 0.000 1.110 138 Y HN 0.379 nan 8.280 nan 0.000 0.614 139 M N 5.609 125.047 119.600 -0.270 0.000 2.572 139 M HA 0.486 4.966 4.480 -0.000 0.000 0.299 139 M C -2.610 173.490 176.300 -0.332 0.000 1.205 139 M CA -1.859 53.274 55.300 -0.278 0.000 0.876 139 M CB 2.236 34.711 32.600 -0.210 0.000 1.728 139 M HN 0.310 nan 8.290 nan 0.000 0.458 140 P HA 0.345 nan 4.420 nan 0.000 0.293 140 P C -0.476 176.714 177.300 -0.183 0.000 1.304 140 P CA -0.499 62.445 63.100 -0.260 0.000 0.767 140 P CB 0.603 32.168 31.700 -0.225 0.000 1.247 141 M N 0.904 120.439 119.600 -0.107 0.000 3.422 141 M HA 0.161 4.641 4.480 -0.000 0.000 0.248 141 M C -0.175 176.188 176.300 0.105 0.000 1.433 141 M CA -0.192 55.098 55.300 -0.017 0.000 1.592 141 M CB -1.258 31.349 32.600 0.010 0.000 1.078 141 M HN 0.124 nan 8.290 nan 0.000 0.578 142 V N 0.218 120.078 119.914 -0.089 0.000 2.960 142 V HA 0.602 4.722 4.120 -0.000 0.000 0.315 142 V C -2.361 173.485 176.094 -0.413 0.000 1.087 142 V CA -1.769 60.334 62.300 -0.327 0.000 0.982 142 V CB 1.571 33.107 31.823 -0.478 0.000 1.039 142 V HN 0.208 nan 8.190 nan 0.000 0.437 143 P HA -0.025 nan 4.420 nan 0.000 0.220 143 P C 1.157 178.230 177.300 -0.379 0.000 1.148 143 P CA 1.172 64.034 63.100 -0.396 0.000 0.803 143 P CB 0.238 31.687 31.700 -0.418 0.000 0.782 144 E N -0.130 119.756 120.200 -0.524 0.000 2.209 144 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 144 E C 2.091 178.409 176.600 -0.469 0.000 0.993 144 E CA 1.346 57.366 56.400 -0.632 0.000 0.819 144 E CB -0.954 28.006 29.700 -1.232 0.000 0.745 144 E HN 0.187 nan 8.360 nan 0.000 0.477 145 A N 1.109 123.698 122.820 -0.385 0.000 1.877 145 A HA -0.120 4.199 4.320 -0.000 0.000 0.216 145 A C 2.396 179.833 177.584 -0.244 0.000 1.186 145 A CA 1.823 53.692 52.037 -0.279 0.000 0.620 145 A CB -0.918 17.932 19.000 -0.251 0.000 0.822 145 A HN 0.312 nan 8.150 nan 0.000 0.443 146 A N -0.577 122.102 122.820 -0.234 0.000 1.908 146 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 146 A C 2.248 179.752 177.584 -0.132 0.000 1.181 146 A CA 1.867 53.784 52.037 -0.201 0.000 0.627 146 A CB -1.013 17.882 19.000 -0.176 0.000 0.818 146 A HN 0.402 nan 8.150 nan 0.000 0.445 147 V N -0.111 119.727 119.914 -0.127 0.000 2.287 147 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 147 V C 3.082 179.149 176.094 -0.045 0.000 1.053 147 V CA 2.078 64.343 62.300 -0.057 0.000 1.027 147 V CB -1.349 30.464 31.823 -0.017 0.000 0.646 147 V HN 0.643 nan 8.190 nan 0.000 0.447 148 A N -0.365 122.392 122.820 -0.105 0.000 1.873 148 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 148 A C 2.242 179.862 177.584 0.060 0.000 1.193 148 A CA 2.623 54.640 52.037 -0.034 0.000 0.629 148 A CB -0.563 18.433 19.000 -0.007 0.000 0.826 148 A HN 0.517 nan 8.150 nan 0.000 0.447 149 M N -0.774 118.776 119.600 -0.084 0.000 2.080 149 M HA -0.141 4.338 4.480 -0.000 0.000 0.260 149 M C 2.171 178.569 176.300 0.164 0.000 1.068 149 M CA 1.556 56.772 55.300 -0.141 0.000 1.109 149 M CB -0.602 31.716 32.600 -0.471 0.000 1.342 149 M HN 0.360 nan 8.290 nan 0.000 0.405 150 L N -0.187 121.122 121.223 0.144 0.000 2.083 150 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 150 L C 2.845 179.804 176.870 0.148 0.000 1.083 150 L CA 1.153 56.108 54.840 0.192 0.000 0.752 150 L CB -0.855 41.292 42.059 0.147 0.000 0.899 150 L HN 0.311 nan 8.230 nan 0.000 0.433 151 A N -1.002 121.907 122.820 0.148 0.000 1.930 151 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 151 A C 2.419 180.068 177.584 0.109 0.000 1.175 151 A CA 1.579 53.692 52.037 0.127 0.000 0.627 151 A CB -1.105 18.055 19.000 0.266 0.000 0.815 151 A HN 0.516 nan 8.150 nan 0.000 0.443 152 C N -0.884 118.523 119.300 0.178 0.000 2.413 152 C HA -0.032 4.428 4.460 -0.000 0.000 0.276 152 C C 3.309 178.380 174.990 0.136 0.000 1.236 152 C CA 1.001 60.121 59.018 0.170 0.000 1.735 152 C CB -1.353 26.549 27.740 0.270 0.000 2.031 152 C HN 0.702 nan 8.230 nan 0.000 0.474 153 A N 0.043 122.963 122.820 0.168 0.000 1.969 153 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 153 A C 2.224 179.840 177.584 0.053 0.000 1.169 153 A CA 1.703 53.792 52.037 0.088 0.000 0.635 153 A CB -0.621 18.412 19.000 0.056 0.000 0.810 153 A HN 0.664 nan 8.150 nan 0.000 0.445 154 R N 0.278 120.816 120.500 0.065 0.000 2.091 154 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 154 R C 1.857 178.211 176.300 0.091 0.000 1.136 154 R CA 1.986 58.127 56.100 0.067 0.000 0.959 154 R CB -0.413 29.909 30.300 0.037 0.000 0.856 154 R HN 0.721 nan 8.270 nan 0.000 0.437 155 I N -3.507 117.096 120.570 0.056 0.000 3.793 155 I HA 0.366 4.536 4.170 -0.000 0.000 0.315 155 I C 0.826 176.972 176.117 0.049 0.000 1.275 155 I CA 0.604 61.944 61.300 0.067 0.000 1.214 155 I CB 0.582 38.589 38.000 0.012 0.000 1.018 155 I HN 0.311 nan 8.210 nan 0.000 0.439 156 G N 1.585 110.410 108.800 0.041 0.000 2.148 156 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.254 156 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.254 156 G C 0.461 175.376 174.900 0.024 0.000 0.981 156 G CA 0.135 45.251 45.100 0.027 0.000 0.670 156 G HN 0.932 nan 8.290 nan 0.000 0.528 157 A N -0.946 121.894 122.820 0.034 0.000 2.327 157 A HA 0.695 5.015 4.320 -0.000 0.000 0.255 157 A C 0.520 178.123 177.584 0.032 0.000 1.099 157 A CA 0.518 52.577 52.037 0.035 0.000 0.801 157 A CB 0.929 19.955 19.000 0.044 0.000 1.062 157 A HN 1.174 nan 8.150 nan 0.000 0.496 158 V N 2.436 122.364 119.914 0.023 0.000 2.284 158 V HA 0.256 4.376 4.120 -0.000 0.000 0.274 158 V C -0.322 175.791 176.094 0.031 0.000 1.023 158 V CA -0.556 61.733 62.300 -0.018 0.000 0.808 158 V CB 0.188 31.987 31.823 -0.039 0.000 1.035 158 V HN 1.015 nan 8.190 nan 0.000 0.445 159 H N 1.695 120.846 119.070 0.136 0.000 2.652 159 H HA 0.584 5.140 4.556 -0.000 0.000 0.349 159 H C 0.028 175.457 175.328 0.168 0.000 1.099 159 H CA -0.440 55.688 56.048 0.134 0.000 1.417 159 H CB 1.112 30.950 29.762 0.127 0.000 1.457 159 H HN 0.462 nan 8.280 nan 0.000 0.568 160 S N 3.349 119.248 115.700 0.332 0.000 2.667 160 S HA 0.355 4.825 4.470 -0.000 0.000 0.304 160 S C -1.065 173.706 174.600 0.285 0.000 1.135 160 S CA -0.861 57.524 58.200 0.309 0.000 1.125 160 S CB -0.267 63.057 63.200 0.207 0.000 0.996 160 S HN 0.556 nan 8.310 nan 0.000 0.474 161 V N 6.994 127.107 119.914 0.332 0.000 2.432 161 V HA 0.409 4.529 4.120 -0.000 0.000 0.271 161 V C 0.079 176.299 176.094 0.210 0.000 1.046 161 V CA -0.234 62.191 62.300 0.208 0.000 0.945 161 V CB 0.776 32.704 31.823 0.176 0.000 0.992 161 V HN 0.761 nan 8.190 nan 0.000 0.471 162 I N 5.532 126.224 120.570 0.203 0.000 2.362 162 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 162 I C -0.147 176.159 176.117 0.315 0.000 0.994 162 I CA -0.557 60.911 61.300 0.279 0.000 1.158 162 I CB 1.393 39.532 38.000 0.232 0.000 1.315 162 I HN 0.559 nan 8.210 nan 0.000 0.451 163 F N 5.595 125.603 119.950 0.097 0.000 2.578 163 F HA 0.221 4.748 4.527 0.000 0.000 0.381 163 F C 1.471 177.222 175.800 -0.082 0.000 1.069 163 F CA -0.162 57.655 58.000 -0.305 0.000 1.231 163 F CB 1.109 39.502 39.000 -1.012 0.000 1.086 163 F HN 0.632 nan 8.300 nan 0.000 0.564 164 G N 4.092 112.360 108.800 -0.887 0.000 2.517 164 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.222 164 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.222 164 G C 1.501 175.912 174.900 -0.814 0.000 1.109 164 G CA 0.661 45.179 45.100 -0.970 0.000 0.746 164 G HN 1.021 nan 8.290 nan 0.000 0.576 165 G N -0.541 107.433 108.800 -1.378 0.000 2.920 165 G HA2 0.269 4.229 3.960 -0.000 0.000 0.208 165 G HA3 0.269 4.229 3.960 -0.000 0.000 0.208 165 G C 0.215 175.010 174.900 -0.175 0.000 1.159 165 G CA -0.730 43.968 45.100 -0.670 0.000 0.784 165 G HN 0.325 nan 8.290 nan 0.000 0.535 166 F N 2.028 122.027 119.950 0.080 0.000 2.429 166 F HA 0.284 4.811 4.527 -0.000 0.000 0.348 166 F C 1.521 177.367 175.800 0.077 0.000 1.109 166 F CA -0.699 57.386 58.000 0.143 0.000 1.232 166 F CB 1.079 40.169 39.000 0.150 0.000 1.157 166 F HN 0.040 nan 8.300 nan 0.000 0.564 167 S N 3.177 119.025 115.700 0.247 0.000 2.589 167 S HA 0.149 4.619 4.470 -0.000 0.000 0.265 167 S C -1.910 172.687 174.600 -0.006 0.000 1.342 167 S CA -1.086 57.165 58.200 0.085 0.000 1.005 167 S CB 1.005 64.223 63.200 0.030 0.000 0.909 167 S HN 0.370 nan 8.310 nan 0.000 0.555 168 P HA -0.176 nan 4.420 nan 0.000 0.215 168 P C 1.547 178.755 177.300 -0.152 0.000 1.163 168 P CA 1.707 64.729 63.100 -0.129 0.000 0.894 168 P CB -0.048 31.591 31.700 -0.102 0.000 0.791 169 E N -0.153 119.967 120.200 -0.133 0.000 2.130 169 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 169 E C 1.874 178.379 176.600 -0.158 0.000 0.998 169 E CA 1.861 58.174 56.400 -0.144 0.000 0.806 169 E CB -1.100 28.507 29.700 -0.155 0.000 0.738 169 E HN 0.129 nan 8.360 nan 0.000 0.459 170 A N -0.160 122.574 122.820 -0.143 0.000 1.897 170 A HA -0.065 4.254 4.320 -0.000 0.000 0.215 170 A C 2.505 179.883 177.584 -0.343 0.000 1.181 170 A CA 1.333 53.233 52.037 -0.228 0.000 0.620 170 A CB -0.690 18.224 19.000 -0.143 0.000 0.821 170 A HN 0.187 nan 8.150 nan 0.000 0.443 171 V N 0.152 119.886 119.914 -0.300 0.000 2.252 171 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 171 V C 3.083 178.986 176.094 -0.318 0.000 1.056 171 V CA 2.181 64.254 62.300 -0.377 0.000 1.022 171 V CB -1.326 30.173 31.823 -0.540 0.000 0.641 171 V HN 0.613 nan 8.190 nan 0.000 0.445 172 A N 0.360 123.025 122.820 -0.257 0.000 1.908 172 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 172 A C 2.432 179.890 177.584 -0.210 0.000 1.181 172 A CA 2.047 53.959 52.037 -0.208 0.000 0.627 172 A CB -1.312 17.590 19.000 -0.164 0.000 0.818 172 A HN 0.555 nan 8.150 nan 0.000 0.445 173 G N -0.482 108.179 108.800 -0.232 0.000 2.446 173 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 173 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 173 G C 1.766 176.459 174.900 -0.345 0.000 1.168 173 G CA 1.022 45.979 45.100 -0.239 0.000 0.771 173 G HN 0.580 nan 8.290 nan 0.000 0.551 174 R N -0.221 119.986 120.500 -0.489 0.000 2.096 174 R HA 0.077 4.417 4.340 -0.000 0.000 0.235 174 R C 2.582 178.643 176.300 -0.398 0.000 1.127 174 R CA 0.975 56.638 56.100 -0.729 0.000 0.968 174 R CB -0.339 29.534 30.300 -0.711 0.000 0.861 174 R HN 0.395 nan 8.270 nan 0.000 0.440 175 I N 0.350 120.764 120.570 -0.259 0.000 2.252 175 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 175 I C 2.114 178.167 176.117 -0.107 0.000 1.102 175 I CA 1.321 62.527 61.300 -0.156 0.000 1.385 175 I CB -0.156 37.756 38.000 -0.147 0.000 1.064 175 I HN 0.113 nan 8.210 nan 0.000 0.414 176 I N 0.659 121.161 120.570 -0.113 0.000 2.142 176 I HA -0.326 3.844 4.170 -0.000 0.000 0.240 176 I C 2.228 178.346 176.117 0.002 0.000 1.078 176 I CA 1.893 63.159 61.300 -0.056 0.000 1.343 176 I CB -0.404 37.558 38.000 -0.064 0.000 1.046 176 I HN 0.233 nan 8.210 nan 0.000 0.405 177 D N 0.310 120.706 120.400 -0.007 0.000 2.178 177 D HA -0.183 4.457 4.640 -0.000 0.000 0.201 177 D C 2.147 178.609 176.300 0.271 0.000 0.980 177 D CA 1.542 55.625 54.000 0.139 0.000 0.842 177 D CB 0.127 41.026 40.800 0.164 0.000 0.948 177 D HN 0.341 nan 8.370 nan 0.000 0.472 178 S N -1.686 114.082 115.700 0.113 0.000 2.501 178 S HA 0.077 4.547 4.470 -0.000 0.000 0.220 178 S C 0.922 175.514 174.600 -0.013 0.000 0.997 178 S CA 0.350 58.510 58.200 -0.066 0.000 0.919 178 S CB 0.111 63.239 63.200 -0.119 0.000 0.778 178 S HN 0.090 nan 8.310 nan 0.000 0.523 179 S N 1.330 117.057 115.700 0.045 0.000 3.682 179 S HA -0.137 4.333 4.470 -0.000 0.000 0.354 179 S C 0.144 174.744 174.600 -0.001 0.000 1.034 179 S CA 0.531 58.754 58.200 0.039 0.000 1.084 179 S CB -2.375 60.884 63.200 0.098 0.000 0.903 179 S HN 0.732 nan 8.310 nan 0.000 0.470 180 S N 1.245 116.927 115.700 -0.030 0.000 2.546 180 S HA 0.102 4.572 4.470 -0.000 0.000 0.290 180 S C 1.412 175.998 174.600 -0.023 0.000 1.290 180 S CA -0.443 57.740 58.200 -0.028 0.000 1.069 180 S CB 0.580 63.761 63.200 -0.031 0.000 0.846 180 S HN 0.385 nan 8.310 nan 0.000 0.495 181 R N 0.389 120.882 120.500 -0.011 0.000 2.280 181 R HA 0.289 4.629 4.340 -0.000 0.000 0.195 181 R C -0.289 176.003 176.300 -0.012 0.000 0.935 181 R CA 0.202 56.293 56.100 -0.014 0.000 1.033 181 R CB -0.237 30.061 30.300 -0.002 0.000 0.964 181 R HN 0.504 nan 8.270 nan 0.000 0.489 182 L N -0.350 120.873 121.223 0.002 0.000 2.505 182 L HA 0.385 4.725 4.340 -0.000 0.000 0.259 182 L C -1.530 175.354 176.870 0.024 0.000 0.952 182 L CA -0.742 54.111 54.840 0.022 0.000 0.840 182 L CB 2.503 44.586 42.059 0.041 0.000 1.358 182 L HN -0.330 nan 8.230 nan 0.000 0.409 183 V N 5.321 125.249 119.914 0.024 0.000 2.495 183 V HA 0.550 4.670 4.120 -0.000 0.000 0.298 183 V C -0.239 175.907 176.094 0.086 0.000 1.031 183 V CA -0.391 61.932 62.300 0.037 0.000 0.871 183 V CB 1.704 33.521 31.823 -0.010 0.000 0.988 183 V HN 0.576 nan 8.190 nan 0.000 0.432 184 I N 4.140 124.790 120.570 0.133 0.000 2.362 184 I HA 0.622 4.792 4.170 -0.000 0.000 0.289 184 I C 0.216 176.424 176.117 0.153 0.000 0.994 184 I CA 0.199 61.614 61.300 0.191 0.000 1.158 184 I CB 1.912 40.075 38.000 0.273 0.000 1.315 184 I HN 0.715 nan 8.210 nan 0.000 0.451 185 T N 4.012 118.650 114.554 0.140 0.000 2.618 185 T HA 0.867 5.217 4.350 -0.000 0.000 0.293 185 T C -1.610 173.115 174.700 0.042 0.000 1.093 185 T CA -0.432 61.719 62.100 0.085 0.000 1.061 185 T CB 1.772 70.728 68.868 0.146 0.000 1.498 185 T HN 0.637 nan 8.240 nan 0.000 0.494 186 A N 0.485 123.302 122.820 -0.005 0.000 2.469 186 A HA 0.652 4.972 4.320 -0.000 0.000 0.299 186 A C 0.681 178.294 177.584 0.049 0.000 1.098 186 A CA 0.032 52.066 52.037 -0.004 0.000 0.737 186 A CB 1.223 20.157 19.000 -0.110 0.000 1.312 186 A HN 0.890 nan 8.150 nan 0.000 0.414 187 D N 0.326 120.797 120.400 0.119 0.000 2.092 187 D HA -0.094 4.546 4.640 -0.000 0.000 0.193 187 D C 0.285 176.617 176.300 0.052 0.000 0.994 187 D CA 1.851 55.936 54.000 0.141 0.000 0.828 187 D CB -0.000 40.938 40.800 0.231 0.000 0.963 187 D HN 0.647 nan 8.370 nan 0.000 0.450 188 E N -1.611 118.591 120.200 0.002 0.000 2.390 188 E HA 0.615 4.965 4.350 -0.000 0.000 0.277 188 E C -0.681 175.862 176.600 -0.095 0.000 0.939 188 E CA -0.862 55.510 56.400 -0.048 0.000 0.769 188 E CB 2.364 32.043 29.700 -0.035 0.000 1.251 188 E HN 0.213 nan 8.360 nan 0.000 0.450 189 G N 0.202 108.920 108.800 -0.137 0.000 2.437 189 G HA2 0.532 4.492 3.960 -0.000 0.000 0.319 189 G HA3 0.532 4.492 3.960 -0.000 0.000 0.319 189 G C -0.886 173.930 174.900 -0.140 0.000 1.158 189 G CA -0.356 44.648 45.100 -0.160 0.000 0.899 189 G HN 0.214 nan 8.290 nan 0.000 0.502 190 V N 0.985 120.818 119.914 -0.134 0.000 2.487 190 V HA 0.708 4.828 4.120 -0.000 0.000 0.298 190 V C 0.083 176.053 176.094 -0.206 0.000 1.028 190 V CA -0.764 61.446 62.300 -0.150 0.000 0.860 190 V CB 1.440 33.203 31.823 -0.100 0.000 0.991 190 V HN 0.881 nan 8.190 nan 0.000 0.427 191 R N 4.288 124.628 120.500 -0.266 0.000 2.535 191 R HA 0.613 4.952 4.340 -0.000 0.000 0.274 191 R C 0.144 176.162 176.300 -0.469 0.000 1.090 191 R CA 0.140 56.051 56.100 -0.316 0.000 0.930 191 R CB 1.698 31.854 30.300 -0.240 0.000 1.223 191 R HN 1.330 nan 8.270 nan 0.000 0.441 192 A N 2.528 124.953 122.820 -0.658 0.000 2.748 192 A HA -0.174 4.146 4.320 -0.000 0.000 0.297 192 A C 1.121 177.582 177.584 -1.872 0.000 1.508 192 A CA 1.863 53.068 52.037 -1.388 0.000 0.799 192 A CB -2.156 16.365 19.000 -0.799 0.000 1.011 192 A HN 2.184 nan 8.150 nan 0.000 0.500 193 G N -2.625 105.317 108.800 -1.429 0.000 2.159 193 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.256 193 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.256 193 G C 0.124 174.821 174.900 -0.338 0.000 0.977 193 G CA 0.873 45.532 45.100 -0.735 0.000 0.652 193 G HN 1.231 nan 8.290 nan 0.000 0.531 194 R N -0.230 120.058 120.500 -0.352 0.000 2.854 194 R HA 0.644 4.984 4.340 -0.000 0.000 0.271 194 R C -0.607 175.587 176.300 -0.177 0.000 0.996 194 R CA -0.598 55.377 56.100 -0.209 0.000 0.961 194 R CB 1.643 31.825 30.300 -0.197 0.000 1.182 194 R HN 0.124 nan 8.270 nan 0.000 0.479 195 S N 1.874 117.502 115.700 -0.120 0.000 2.499 195 S HA 0.379 4.849 4.470 -0.000 0.000 0.279 195 S C -0.086 174.453 174.600 -0.103 0.000 1.219 195 S CA -0.559 57.581 58.200 -0.100 0.000 1.062 195 S CB 0.512 63.674 63.200 -0.063 0.000 0.978 195 S HN 0.252 nan 8.310 nan 0.000 0.489 196 I N 5.747 126.246 120.570 -0.118 0.000 2.339 196 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 196 I C -2.068 173.992 176.117 -0.095 0.000 0.994 196 I CA -3.290 57.936 61.300 -0.123 0.000 1.191 196 I CB 0.982 38.872 38.000 -0.183 0.000 1.343 196 I HN 0.332 nan 8.210 nan 0.000 0.458 197 P HA 0.158 nan 4.420 nan 0.000 0.235 197 P C 1.026 178.327 177.300 0.002 0.000 1.765 197 P CA -0.022 63.065 63.100 -0.021 0.000 1.034 197 P CB 0.213 31.911 31.700 -0.004 0.000 1.984 198 L N 0.759 121.961 121.223 -0.036 0.000 1.955 198 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 198 L C 2.627 179.580 176.870 0.138 0.000 1.072 198 L CA 1.893 56.732 54.840 -0.003 0.000 0.755 198 L CB -0.877 41.075 42.059 -0.178 0.000 0.888 198 L HN 0.155 nan 8.230 nan 0.000 0.432 199 K N 0.973 121.420 120.400 0.078 0.000 2.026 199 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 199 K C 2.054 178.681 176.600 0.047 0.000 1.048 199 K CA 1.748 58.078 56.287 0.071 0.000 0.929 199 K CB -0.327 32.215 32.500 0.070 0.000 0.713 199 K HN 0.051 nan 8.250 nan 0.000 0.439 200 K N 0.066 120.494 120.400 0.046 0.000 2.074 200 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 200 K C 1.692 178.302 176.600 0.017 0.000 1.048 200 K CA 1.881 58.184 56.287 0.026 0.000 0.926 200 K CB -0.210 32.306 32.500 0.026 0.000 0.713 200 K HN 0.185 nan 8.250 nan 0.000 0.444 201 N N 0.280 119.012 118.700 0.053 0.000 2.166 201 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 201 N C 1.689 177.170 175.510 -0.048 0.000 1.019 201 N CA 1.109 54.181 53.050 0.037 0.000 0.856 201 N CB -0.275 38.311 38.487 0.165 0.000 0.993 201 N HN 0.017 nan 8.380 nan 0.000 0.426 202 V N 1.435 121.338 119.914 -0.018 0.000 2.358 202 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 202 V C 1.614 177.647 176.094 -0.101 0.000 1.047 202 V CA 1.507 63.747 62.300 -0.100 0.000 1.035 202 V CB -0.467 31.335 31.823 -0.035 0.000 0.658 202 V HN 0.184 nan 8.190 nan 0.000 0.452 203 D N 0.422 120.780 120.400 -0.070 0.000 2.103 203 D HA -0.187 4.453 4.640 -0.000 0.000 0.190 203 D C 1.931 178.183 176.300 -0.080 0.000 0.997 203 D CA 1.748 55.701 54.000 -0.078 0.000 0.833 203 D CB -0.448 40.320 40.800 -0.054 0.000 0.961 203 D HN 0.406 nan 8.370 nan 0.000 0.447 204 D N 0.383 120.742 120.400 -0.069 0.000 2.104 204 D HA -0.115 4.525 4.640 -0.000 0.000 0.194 204 D C 2.016 178.259 176.300 -0.095 0.000 0.994 204 D CA 1.414 55.371 54.000 -0.072 0.000 0.830 204 D CB -0.490 40.274 40.800 -0.061 0.000 0.959 204 D HN 0.174 nan 8.370 nan 0.000 0.452 205 A N 0.887 123.632 122.820 -0.124 0.000 1.908 205 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 205 A C 2.270 179.776 177.584 -0.131 0.000 1.181 205 A CA 0.950 52.897 52.037 -0.150 0.000 0.627 205 A CB -0.797 18.076 19.000 -0.211 0.000 0.818 205 A HN 0.248 nan 8.150 nan 0.000 0.445 206 L N -1.408 119.741 121.223 -0.124 0.000 2.622 206 L HA -0.050 4.290 4.340 -0.000 0.000 0.233 206 L C 1.965 178.778 176.870 -0.096 0.000 1.156 206 L CA 0.850 55.622 54.840 -0.114 0.000 0.866 206 L CB -0.264 41.722 42.059 -0.121 0.000 0.980 206 L HN 0.395 nan 8.230 nan 0.000 0.448 207 K N -0.529 119.819 120.400 -0.086 0.000 2.379 207 K HA 0.010 4.330 4.320 -0.000 0.000 0.194 207 K C 0.859 177.420 176.600 -0.065 0.000 1.031 207 K CA -0.280 55.964 56.287 -0.071 0.000 1.037 207 K CB 0.138 32.601 32.500 -0.061 0.000 0.824 207 K HN 0.126 nan 8.250 nan 0.000 0.516 208 N N 2.489 121.145 118.700 -0.073 0.000 2.411 208 N HA -0.046 4.694 4.740 -0.000 0.000 0.261 208 N C -1.788 173.686 175.510 -0.060 0.000 1.248 208 N CA -0.896 52.114 53.050 -0.068 0.000 0.885 208 N CB 1.076 39.514 38.487 -0.082 0.000 1.062 208 N HN -0.045 nan 8.380 nan 0.000 0.471 209 P HA -0.070 nan 4.420 nan 0.000 0.225 209 P C 0.400 177.675 177.300 -0.042 0.000 1.148 209 P CA 0.921 63.997 63.100 -0.041 0.000 0.779 209 P CB 0.409 32.090 31.700 -0.031 0.000 0.780 210 N N -0.372 118.301 118.700 -0.044 0.000 2.416 210 N HA 0.007 4.746 4.740 -0.000 0.000 0.177 210 N C 0.324 175.806 175.510 -0.047 0.000 1.036 210 N CA 0.262 53.287 53.050 -0.040 0.000 0.901 210 N CB 0.071 38.535 38.487 -0.038 0.000 0.976 210 N HN 0.041 nan 8.380 nan 0.000 0.444 211 V N 2.281 122.159 119.914 -0.061 0.000 2.450 211 V HA 0.003 4.123 4.120 -0.000 0.000 0.281 211 V C 1.335 177.393 176.094 -0.061 0.000 1.019 211 V CA 0.801 63.060 62.300 -0.068 0.000 1.062 211 V CB 0.731 32.502 31.823 -0.086 0.000 0.979 211 V HN 0.369 nan 8.190 nan 0.000 0.477 212 T N -1.218 113.304 114.554 -0.053 0.000 3.041 212 T HA 0.021 4.371 4.350 -0.000 0.000 0.276 212 T C 1.264 175.934 174.700 -0.050 0.000 0.948 212 T CA 0.421 62.492 62.100 -0.049 0.000 0.885 212 T CB 0.263 69.110 68.868 -0.035 0.000 1.175 212 T HN 0.633 nan 8.240 nan 0.000 0.529 213 S N 0.652 116.322 115.700 -0.049 0.000 2.517 213 S HA 0.350 4.820 4.470 -0.000 0.000 0.214 213 S C 0.501 175.065 174.600 -0.060 0.000 0.991 213 S CA -0.321 57.853 58.200 -0.043 0.000 0.906 213 S CB -0.132 63.054 63.200 -0.024 0.000 0.789 213 S HN 0.311 nan 8.310 nan 0.000 0.513 214 V N 2.740 122.607 119.914 -0.078 0.000 2.461 214 V HA 0.291 4.411 4.120 -0.000 0.000 0.275 214 V C 0.741 176.752 176.094 -0.139 0.000 1.047 214 V CA -0.130 62.114 62.300 -0.093 0.000 0.955 214 V CB 1.184 32.950 31.823 -0.097 0.000 0.988 214 V HN 0.400 nan 8.190 nan 0.000 0.471 215 E N 2.436 122.535 120.200 -0.169 0.000 2.206 215 E HA 0.184 4.534 4.350 -0.000 0.000 0.195 215 E C -0.081 176.163 176.600 -0.593 0.000 0.935 215 E CA 0.264 56.460 56.400 -0.341 0.000 0.875 215 E CB 0.515 30.044 29.700 -0.285 0.000 0.841 215 E HN 0.701 nan 8.360 nan 0.000 0.477 216 H N -0.431 118.585 119.070 -0.090 0.000 2.895 216 H HA 0.394 4.950 4.556 -0.000 0.000 0.373 216 H C -1.041 174.220 175.328 -0.112 0.000 1.174 216 H CA -0.648 55.332 56.048 -0.113 0.000 1.144 216 H CB 2.091 31.794 29.762 -0.098 0.000 1.793 216 H HN -0.165 nan 8.280 nan 0.000 0.551 217 V N 3.808 123.709 119.914 -0.021 0.000 2.448 217 V HA 0.335 4.455 4.120 -0.000 0.000 0.295 217 V C 0.348 176.407 176.094 -0.057 0.000 1.025 217 V CA -0.573 61.688 62.300 -0.065 0.000 0.859 217 V CB 1.659 33.383 31.823 -0.166 0.000 0.988 217 V HN 0.488 nan 8.190 nan 0.000 0.431 218 I N 4.829 125.426 120.570 0.045 0.000 2.377 218 I HA 0.507 4.677 4.170 -0.000 0.000 0.293 218 I C -0.657 175.578 176.117 0.196 0.000 0.987 218 I CA -0.708 60.670 61.300 0.129 0.000 1.185 218 I CB 1.936 40.068 38.000 0.220 0.000 1.341 218 I HN 0.275 nan 8.210 nan 0.000 0.455 219 V N 6.809 126.866 119.914 0.239 0.000 2.444 219 V HA 0.294 4.414 4.120 -0.000 0.000 0.294 219 V C -0.272 176.104 176.094 0.469 0.000 1.022 219 V CA -0.744 61.708 62.300 0.254 0.000 0.850 219 V CB 1.804 33.681 31.823 0.090 0.000 0.992 219 V HN 0.440 nan 8.190 nan 0.000 0.426 220 L N 4.713 126.117 121.223 0.302 0.000 2.319 220 L HA 0.398 4.738 4.340 -0.000 0.000 0.280 220 L C 0.548 177.552 176.870 0.224 0.000 1.099 220 L CA 0.100 55.032 54.840 0.154 0.000 0.828 220 L CB 0.641 42.531 42.059 -0.281 0.000 1.150 220 L HN 0.702 nan 8.230 nan 0.000 0.442 221 K N 4.158 124.698 120.400 0.234 0.000 2.110 221 K HA 0.065 4.385 4.320 -0.000 0.000 0.260 221 K C 0.906 177.474 176.600 -0.054 0.000 1.126 221 K CA -0.081 56.256 56.287 0.084 0.000 1.005 221 K CB 0.151 32.497 32.500 -0.258 0.000 1.336 221 K HN 0.729 nan 8.250 nan 0.000 0.369 222 R N 1.523 122.001 120.500 -0.037 0.000 2.087 222 R HA -0.009 4.331 4.340 -0.000 0.000 0.216 222 R C 1.572 177.830 176.300 -0.070 0.000 1.114 222 R CA 2.145 58.185 56.100 -0.100 0.000 1.002 222 R CB -0.237 29.989 30.300 -0.122 0.000 0.903 222 R HN 0.589 nan 8.270 nan 0.000 0.445 223 T N -4.156 110.375 114.554 -0.038 0.000 3.015 223 T HA 0.277 4.626 4.350 -0.000 0.000 0.250 223 T C 1.268 175.947 174.700 -0.035 0.000 1.057 223 T CA 0.296 62.377 62.100 -0.032 0.000 1.066 223 T CB 0.414 69.268 68.868 -0.023 0.000 0.959 223 T HN 0.402 nan 8.240 nan 0.000 0.488 224 G N 1.166 109.945 108.800 -0.036 0.000 2.137 224 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.237 224 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.237 224 G C 0.143 175.033 174.900 -0.016 0.000 1.002 224 G CA 0.180 45.244 45.100 -0.061 0.000 0.702 224 G HN 0.718 nan 8.290 nan 0.000 0.515 225 S N 0.237 115.953 115.700 0.027 0.000 2.579 225 S HA 0.325 4.795 4.470 -0.000 0.000 0.275 225 S C 0.412 175.059 174.600 0.078 0.000 1.345 225 S CA -0.297 57.929 58.200 0.043 0.000 1.031 225 S CB 0.451 63.679 63.200 0.047 0.000 0.892 225 S HN 0.302 nan 8.310 nan 0.000 0.529 226 D N 2.666 123.103 120.400 0.061 0.000 2.356 226 D HA 0.192 4.832 4.640 -0.000 0.000 0.272 226 D C 0.144 176.507 176.300 0.106 0.000 1.337 226 D CA 0.359 54.405 54.000 0.077 0.000 0.970 226 D CB -0.327 40.503 40.800 0.051 0.000 1.092 226 D HN 0.428 nan 8.370 nan 0.000 0.516 227 I N -1.267 119.400 120.570 0.162 0.000 2.693 227 I HA 0.435 4.605 4.170 -0.000 0.000 0.303 227 I C 0.003 176.236 176.117 0.193 0.000 1.025 227 I CA -1.147 60.257 61.300 0.173 0.000 1.086 227 I CB 1.837 39.968 38.000 0.220 0.000 1.268 227 I HN -0.162 nan 8.210 nan 0.000 0.440 228 D N 3.305 123.793 120.400 0.147 0.000 2.423 228 D HA 0.059 4.699 4.640 -0.000 0.000 0.238 228 D C -1.231 175.202 176.300 0.223 0.000 1.142 228 D CA 0.503 54.590 54.000 0.145 0.000 0.884 228 D CB 1.130 41.971 40.800 0.067 0.000 1.199 228 D HN 0.569 nan 8.370 nan 0.000 0.438 229 W N 1.684 122.966 121.300 -0.029 0.000 2.839 229 W HA 0.209 4.869 4.660 -0.000 0.000 0.334 229 W C -1.044 175.443 176.519 -0.054 0.000 1.064 229 W CA -0.680 56.624 57.345 -0.068 0.000 1.236 229 W CB 1.727 31.159 29.460 -0.047 0.000 1.405 229 W HN 0.267 nan 8.180 nan 0.000 0.478 230 Q N 4.104 123.644 119.800 -0.434 0.000 2.372 230 Q HA 0.142 4.482 4.340 -0.000 0.000 0.259 230 Q C -0.538 175.275 176.000 -0.312 0.000 0.993 230 Q CA -0.370 55.268 55.803 -0.276 0.000 0.854 230 Q CB 1.368 29.953 28.738 -0.254 0.000 1.231 230 Q HN 0.373 nan 8.270 nan 0.000 0.462 231 E N 2.320 122.482 120.200 -0.063 0.000 2.415 231 E HA 0.223 4.573 4.350 -0.000 0.000 0.263 231 E C 0.832 177.423 176.600 -0.016 0.000 0.995 231 E CA 1.935 58.359 56.400 0.040 0.000 0.915 231 E CB 0.506 30.271 29.700 0.109 0.000 0.951 231 E HN 0.845 nan 8.360 nan 0.000 0.449 232 G N 4.619 113.430 108.800 0.017 0.000 2.729 232 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.216 232 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.216 232 G C 1.355 176.279 174.900 0.040 0.000 1.252 232 G CA 0.463 45.582 45.100 0.031 0.000 0.751 232 G HN 0.558 nan 8.290 nan 0.000 0.527 233 R N 1.267 121.713 120.500 -0.090 0.000 2.062 233 R HA 0.056 4.396 4.340 -0.000 0.000 0.226 233 R C -0.175 176.042 176.300 -0.138 0.000 1.125 233 R CA 1.433 57.463 56.100 -0.116 0.000 0.966 233 R CB -0.167 30.001 30.300 -0.220 0.000 0.861 233 R HN 0.430 nan 8.270 nan 0.000 0.433 234 D N 0.963 121.078 120.400 -0.475 0.000 2.210 234 D HA 0.280 4.920 4.640 -0.000 0.000 0.249 234 D C -0.652 175.355 176.300 -0.487 0.000 1.078 234 D CA -0.027 53.468 54.000 -0.843 0.000 0.875 234 D CB 1.712 41.307 40.800 -2.008 0.000 1.175 234 D HN 0.122 nan 8.370 nan 0.000 0.440 235 L N 1.285 122.374 121.223 -0.223 0.000 2.385 235 L HA 0.437 4.777 4.340 -0.000 0.000 0.273 235 L C -0.493 176.536 176.870 0.265 0.000 0.990 235 L CA -1.091 53.817 54.840 0.114 0.000 0.821 235 L CB 1.641 43.702 42.059 0.004 0.000 1.279 235 L HN 0.263 nan 8.230 nan 0.000 0.412 236 W N 2.205 123.795 121.300 0.482 0.000 2.216 236 W HA 0.024 4.684 4.660 -0.000 0.000 0.326 236 W C 1.129 177.819 176.519 0.285 0.000 1.319 236 W CA -0.177 57.378 57.345 0.349 0.000 1.213 236 W CB 0.716 30.263 29.460 0.146 0.000 1.171 236 W HN 0.638 nan 8.180 nan 0.000 0.557 237 W N 4.024 125.575 121.300 0.418 0.000 2.333 237 W HA -0.244 4.416 4.660 -0.000 0.000 0.316 237 W C 1.968 178.611 176.519 0.207 0.000 1.215 237 W CA 1.785 59.290 57.345 0.265 0.000 1.278 237 W CB -0.369 29.194 29.460 0.171 0.000 1.154 237 W HN 0.483 nan 8.180 nan 0.000 0.486 238 R N 0.461 121.271 120.500 0.518 0.000 2.073 238 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 238 R C 1.842 178.239 176.300 0.161 0.000 1.134 238 R CA 2.207 58.487 56.100 0.299 0.000 0.952 238 R CB -0.688 29.708 30.300 0.160 0.000 0.850 238 R HN 0.003 nan 8.270 nan 0.000 0.433 239 D N 0.601 121.113 120.400 0.187 0.000 2.158 239 D HA -0.202 4.438 4.640 -0.000 0.000 0.197 239 D C 1.950 178.289 176.300 0.065 0.000 0.995 239 D CA 1.202 55.279 54.000 0.128 0.000 0.846 239 D CB -0.176 40.742 40.800 0.197 0.000 0.941 239 D HN 0.300 nan 8.370 nan 0.000 0.456 240 L N -0.021 121.229 121.223 0.045 0.000 2.034 240 L HA 0.003 4.343 4.340 -0.000 0.000 0.203 240 L C 2.595 179.407 176.870 -0.097 0.000 1.074 240 L CA 0.460 55.266 54.840 -0.056 0.000 0.748 240 L CB -0.265 41.721 42.059 -0.121 0.000 0.905 240 L HN -0.035 nan 8.230 nan 0.000 0.439 241 I N -0.145 120.349 120.570 -0.126 0.000 2.286 241 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 241 I C 2.559 178.658 176.117 -0.031 0.000 1.115 241 I CA 1.056 62.292 61.300 -0.107 0.000 1.392 241 I CB 0.013 37.931 38.000 -0.136 0.000 1.065 241 I HN 0.287 nan 8.210 nan 0.000 0.418 242 E N 1.066 121.267 120.200 0.001 0.000 2.118 242 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 242 E C 2.199 178.795 176.600 -0.006 0.000 0.992 242 E CA 1.834 58.240 56.400 0.010 0.000 0.804 242 E CB -0.360 29.352 29.700 0.021 0.000 0.741 242 E HN 0.563 nan 8.360 nan 0.000 0.458 243 K N 0.183 120.572 120.400 -0.020 0.000 2.487 243 K HA 0.372 4.692 4.320 -0.000 0.000 0.192 243 K C 0.836 177.413 176.600 -0.038 0.000 1.027 243 K CA 0.820 57.092 56.287 -0.025 0.000 1.054 243 K CB -0.112 32.371 32.500 -0.027 0.000 0.824 243 K HN 0.185 nan 8.250 nan 0.000 0.510 244 A N 0.391 123.183 122.820 -0.047 0.000 2.324 244 A HA 0.596 4.916 4.320 -0.000 0.000 0.330 244 A C 0.315 177.878 177.584 -0.035 0.000 1.165 244 A CA -0.175 51.826 52.037 -0.060 0.000 0.813 244 A CB 0.970 19.909 19.000 -0.103 0.000 1.197 244 A HN 0.349 nan 8.150 nan 0.000 0.484 245 S N 2.439 118.122 115.700 -0.028 0.000 2.549 245 S HA 0.254 4.724 4.470 -0.000 0.000 0.286 245 S C -1.291 173.307 174.600 -0.003 0.000 1.314 245 S CA -0.765 57.431 58.200 -0.007 0.000 1.062 245 S CB 0.450 63.651 63.200 0.003 0.000 0.865 245 S HN 0.529 nan 8.310 nan 0.000 0.498 246 P HA 0.131 nan 4.420 nan 0.000 0.245 246 P C -0.501 176.814 177.300 0.026 0.000 1.212 246 P CA 0.279 63.386 63.100 0.011 0.000 0.774 246 P CB 0.103 31.820 31.700 0.027 0.000 0.999 247 E N 0.943 121.168 120.200 0.042 0.000 2.174 247 E HA 0.293 4.643 4.350 -0.000 0.000 0.282 247 E C -0.305 176.359 176.600 0.107 0.000 0.992 247 E CA -0.100 56.338 56.400 0.063 0.000 0.803 247 E CB 1.082 30.807 29.700 0.043 0.000 1.090 247 E HN 0.279 nan 8.360 nan 0.000 0.396 248 H N 2.472 121.534 119.070 -0.013 0.000 3.128 248 H HA 0.101 4.657 4.556 -0.000 0.000 0.336 248 H C -1.151 174.181 175.328 0.008 0.000 1.026 248 H CA -0.533 55.503 56.048 -0.019 0.000 1.376 248 H CB 1.238 30.972 29.762 -0.047 0.000 1.882 248 H HN 0.265 nan 8.280 nan 0.000 0.479 249 Q N 5.050 124.593 119.800 -0.430 0.000 2.267 249 Q HA 0.301 4.641 4.340 -0.000 0.000 0.255 249 Q C -2.323 173.459 176.000 -0.363 0.000 0.923 249 Q CA -2.174 53.473 55.803 -0.260 0.000 0.925 249 Q CB 1.434 30.070 28.738 -0.171 0.000 1.195 249 Q HN 0.479 nan 8.270 nan 0.000 0.417 250 P HA 0.162 nan 4.420 nan 0.000 0.282 250 P C -0.544 176.740 177.300 -0.026 0.000 1.262 250 P CA -0.158 62.946 63.100 0.006 0.000 0.773 250 P CB 1.056 32.795 31.700 0.065 0.000 0.879 251 E N 1.310 121.506 120.200 -0.006 0.000 2.319 251 E HA 0.435 4.785 4.350 -0.000 0.000 0.268 251 E C 0.196 176.802 176.600 0.010 0.000 1.050 251 E CA -0.864 55.532 56.400 -0.006 0.000 0.878 251 E CB 0.958 30.658 29.700 0.001 0.000 1.066 251 E HN 0.481 nan 8.360 nan 0.000 0.406 252 A N 3.668 126.495 122.820 0.012 0.000 2.546 252 A HA 0.131 4.450 4.320 -0.000 0.000 0.243 252 A C -0.190 177.410 177.584 0.028 0.000 1.063 252 A CA 0.233 52.284 52.037 0.024 0.000 0.757 252 A CB 0.090 19.113 19.000 0.039 0.000 0.991 252 A HN 0.422 nan 8.150 nan 0.000 0.503 253 M N 2.520 122.135 119.600 0.025 0.000 2.508 253 M HA 0.279 4.759 4.480 -0.000 0.000 0.327 253 M C 0.309 176.645 176.300 0.059 0.000 1.160 253 M CA -0.746 54.572 55.300 0.030 0.000 0.980 253 M CB 1.222 33.828 32.600 0.009 0.000 1.693 253 M HN 0.845 nan 8.290 nan 0.000 0.452 254 N N 0.905 119.645 118.700 0.067 0.000 2.518 254 N HA 0.176 4.916 4.740 -0.000 0.000 0.266 254 N C 0.736 176.321 175.510 0.125 0.000 1.196 254 N CA 0.309 53.421 53.050 0.104 0.000 0.947 254 N CB 1.457 39.992 38.487 0.080 0.000 1.098 254 N HN 0.760 nan 8.380 nan 0.000 0.450 255 A N 3.474 126.424 122.820 0.216 0.000 1.997 255 A HA -0.162 4.158 4.320 -0.000 0.000 0.221 255 A C 1.376 179.066 177.584 0.177 0.000 1.172 255 A CA 1.461 53.660 52.037 0.270 0.000 0.645 255 A CB -0.146 19.124 19.000 0.450 0.000 0.813 255 A HN 0.756 nan 8.150 nan 0.000 0.454 256 E N 0.856 121.131 120.200 0.125 0.000 2.444 256 E HA 0.083 4.433 4.350 -0.000 0.000 0.191 256 E C -0.774 175.840 176.600 0.024 0.000 1.041 256 E CA -0.200 56.240 56.400 0.068 0.000 0.883 256 E CB -0.187 29.541 29.700 0.046 0.000 1.024 256 E HN 0.495 nan 8.360 nan 0.000 0.470 257 D N 2.031 122.448 120.400 0.028 0.000 2.424 257 D HA 0.095 4.735 4.640 -0.000 0.000 0.244 257 D C -2.336 173.947 176.300 -0.028 0.000 1.134 257 D CA -1.746 52.255 54.000 0.003 0.000 0.881 257 D CB 0.711 41.518 40.800 0.011 0.000 1.191 257 D HN -0.098 nan 8.370 nan 0.000 0.445 258 P HA -0.027 nan 4.420 nan 0.000 0.264 258 P C 0.281 177.521 177.300 -0.101 0.000 1.193 258 P CA -0.136 62.916 63.100 -0.080 0.000 0.763 258 P CB 0.722 32.399 31.700 -0.038 0.000 0.810 259 L N 5.203 126.316 121.223 -0.184 0.000 2.435 259 L HA 0.414 4.754 4.340 -0.000 0.000 0.195 259 L C 0.112 176.872 176.870 -0.184 0.000 1.072 259 L CA 1.250 55.984 54.840 -0.176 0.000 0.833 259 L CB -0.059 41.870 42.059 -0.216 0.000 1.081 259 L HN 0.384 nan 8.230 nan 0.000 0.485 260 F N -1.534 118.254 119.950 -0.270 0.000 2.711 260 F HA 0.682 5.209 4.527 -0.001 0.000 0.313 260 F C -1.169 174.547 175.800 -0.139 0.000 1.141 260 F CA -1.583 56.227 58.000 -0.317 0.000 0.941 260 F CB 0.593 39.290 39.000 -0.504 0.000 1.349 260 F HN -0.341 nan 8.300 nan 0.000 0.464 261 I N 3.127 123.813 120.570 0.193 0.000 2.433 261 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 261 I C -0.996 175.270 176.117 0.248 0.000 1.001 261 I CA -0.859 60.474 61.300 0.056 0.000 1.119 261 I CB 1.565 39.459 38.000 -0.177 0.000 1.289 261 I HN 0.656 nan 8.210 nan 0.000 0.438 262 L N 6.517 127.840 121.223 0.166 0.000 2.372 262 L HA 0.387 4.727 4.340 -0.000 0.000 0.273 262 L C -0.900 175.988 176.870 0.029 0.000 0.989 262 L CA -0.788 54.150 54.840 0.163 0.000 0.841 262 L CB 1.472 43.662 42.059 0.219 0.000 1.225 262 L HN 0.409 nan 8.230 nan 0.000 0.414 263 Y N 2.488 122.883 120.300 0.158 0.000 2.632 263 Y HA 0.081 4.632 4.550 0.000 0.000 0.329 263 Y C 0.745 176.764 175.900 0.199 0.000 1.174 263 Y CA 0.687 58.867 58.100 0.133 0.000 1.469 263 Y CB 0.588 39.071 38.460 0.037 0.000 1.242 263 Y HN 0.403 nan 8.280 nan 0.000 0.540 264 T N 2.581 117.306 114.554 0.285 0.000 2.916 264 T HA 0.281 4.631 4.350 -0.000 0.000 0.298 264 T C -0.470 174.357 174.700 0.211 0.000 1.031 264 T CA -1.052 61.197 62.100 0.249 0.000 0.993 264 T CB 1.161 70.148 68.868 0.198 0.000 1.045 264 T HN 0.438 nan 8.240 nan 0.000 0.454 265 S N 1.632 117.442 115.700 0.182 0.000 2.549 265 S HA 0.589 5.059 4.470 -0.000 0.000 0.279 265 S C 0.726 175.386 174.600 0.100 0.000 1.321 265 S CA -0.573 57.708 58.200 0.135 0.000 1.054 265 S CB 0.743 64.012 63.200 0.115 0.000 0.899 265 S HN 0.915 nan 8.310 nan 0.000 0.497 266 G N 0.576 109.421 108.800 0.076 0.000 3.042 266 G HA2 0.458 4.418 3.960 -0.000 0.000 0.278 266 G HA3 0.458 4.418 3.960 -0.000 0.000 0.278 266 G C 0.753 175.658 174.900 0.009 0.000 1.371 266 G CA -0.477 44.642 45.100 0.033 0.000 1.009 266 G HN 0.561 nan 8.290 nan 0.000 0.523 267 S N -1.425 114.258 115.700 -0.028 0.000 2.368 267 S HA -0.029 4.441 4.470 -0.000 0.000 0.225 267 S C 1.477 176.069 174.600 -0.012 0.000 1.030 267 S CA 2.009 60.194 58.200 -0.026 0.000 0.999 267 S CB -0.407 62.761 63.200 -0.054 0.000 0.844 267 S HN 1.033 nan 8.310 nan 0.000 0.459 268 T N -2.128 112.414 114.554 -0.020 0.000 2.940 268 T HA 0.682 5.032 4.350 -0.000 0.000 0.288 268 T C 0.651 175.358 174.700 0.011 0.000 1.045 268 T CA -0.156 61.940 62.100 -0.007 0.000 1.018 268 T CB 1.070 69.926 68.868 -0.021 0.000 1.151 268 T HN 0.755 nan 8.240 nan 0.000 0.529 269 G N 1.112 109.924 108.800 0.020 0.000 2.740 269 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.250 269 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.250 269 G C -0.501 174.426 174.900 0.045 0.000 1.358 269 G CA -0.095 45.024 45.100 0.032 0.000 0.897 269 G HN 0.972 nan 8.290 nan 0.000 0.567 270 K N 0.841 121.271 120.400 0.051 0.000 2.109 270 K HA 0.497 4.817 4.320 -0.000 0.000 0.243 270 K C -2.110 174.544 176.600 0.089 0.000 1.006 270 K CA -1.283 55.037 56.287 0.055 0.000 0.917 270 K CB 0.609 33.127 32.500 0.030 0.000 1.081 270 K HN 0.325 nan 8.250 nan 0.000 0.468 271 P HA 0.080 nan 4.420 nan 0.000 0.271 271 P C -0.976 176.499 177.300 0.291 0.000 1.218 271 P CA -0.052 63.154 63.100 0.178 0.000 0.780 271 P CB 0.570 32.378 31.700 0.180 0.000 0.901 272 K N 0.982 121.548 120.400 0.277 0.000 2.208 272 K HA 0.542 4.862 4.320 -0.000 0.000 0.247 272 K C 0.442 177.071 176.600 0.049 0.000 0.953 272 K CA -0.692 55.749 56.287 0.257 0.000 0.837 272 K CB 1.529 34.140 32.500 0.184 0.000 1.131 272 K HN 0.555 nan 8.250 nan 0.000 0.431 273 G N 1.109 109.769 108.800 -0.233 0.000 2.639 273 G HA2 0.287 4.247 3.960 -0.000 0.000 0.312 273 G HA3 0.287 4.247 3.960 -0.000 0.000 0.312 273 G C -0.193 174.562 174.900 -0.242 0.000 0.911 273 G CA -0.424 44.228 45.100 -0.748 0.000 1.410 273 G HN 0.228 nan 8.290 nan 0.000 0.469 274 V N 3.715 123.546 119.914 -0.138 0.000 2.493 274 V HA 0.058 4.178 4.120 -0.000 0.000 0.292 274 V C 0.636 176.614 176.094 -0.193 0.000 1.016 274 V CA -0.034 62.219 62.300 -0.080 0.000 1.097 274 V CB 0.948 32.781 31.823 0.017 0.000 0.947 274 V HN 0.598 nan 8.190 nan 0.000 0.479 275 L N 6.110 127.150 121.223 -0.305 0.000 2.295 275 L HA 0.551 4.891 4.340 -0.000 0.000 0.285 275 L C -0.213 176.275 176.870 -0.636 0.000 1.035 275 L CA -0.290 54.326 54.840 -0.373 0.000 0.806 275 L CB 0.731 42.652 42.059 -0.229 0.000 1.214 275 L HN 0.631 nan 8.230 nan 0.000 0.426 276 H N 2.615 121.308 119.070 -0.628 0.000 2.492 276 H HA 0.385 4.941 4.556 -0.000 0.000 0.345 276 H C -0.152 174.873 175.328 -0.505 0.000 1.136 276 H CA -0.336 55.314 56.048 -0.664 0.000 1.202 276 H CB 1.934 31.007 29.762 -1.149 0.000 1.524 276 H HN 0.717 nan 8.280 nan 0.000 0.506 277 T N -0.746 113.714 114.554 -0.155 0.000 2.924 277 T HA 0.190 4.540 4.350 -0.000 0.000 0.301 277 T C 1.053 175.736 174.700 -0.029 0.000 1.120 277 T CA -0.276 61.772 62.100 -0.087 0.000 0.940 277 T CB 0.477 69.333 68.868 -0.020 0.000 1.591 277 T HN 0.461 nan 8.240 nan 0.000 0.578 278 T N -0.666 113.907 114.554 0.033 0.000 3.087 278 T HA 0.298 4.648 4.350 -0.000 0.000 0.237 278 T C 2.154 176.899 174.700 0.076 0.000 0.990 278 T CA 0.491 62.614 62.100 0.038 0.000 1.160 278 T CB -0.853 68.009 68.868 -0.010 0.000 0.923 278 T HN 0.705 nan 8.240 nan 0.000 0.442 279 G N 1.272 110.146 108.800 0.123 0.000 2.454 279 G HA2 0.067 4.027 3.960 -0.000 0.000 0.214 279 G HA3 0.067 4.027 3.960 -0.000 0.000 0.214 279 G C 1.747 176.779 174.900 0.221 0.000 1.217 279 G CA 0.954 46.149 45.100 0.159 0.000 0.799 279 G HN 0.520 nan 8.290 nan 0.000 0.538 280 G N 0.039 109.050 108.800 0.352 0.000 2.476 280 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.218 280 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.218 280 G C 1.683 176.628 174.900 0.075 0.000 1.164 280 G CA 1.404 46.633 45.100 0.215 0.000 0.768 280 G HN 0.454 nan 8.290 nan 0.000 0.560 281 Y N 0.732 121.035 120.300 0.005 0.000 2.128 281 Y HA -0.120 4.430 4.550 0.001 0.000 0.284 281 Y C 2.465 178.371 175.900 0.010 0.000 1.154 281 Y CA 1.916 60.011 58.100 -0.008 0.000 1.149 281 Y CB -0.403 38.027 38.460 -0.050 0.000 0.976 281 Y HN 0.149 nan 8.280 nan 0.000 0.505 282 L N -0.619 120.537 121.223 -0.112 0.000 2.072 282 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 282 L C 2.323 179.092 176.870 -0.169 0.000 1.079 282 L CA 1.402 56.102 54.840 -0.233 0.000 0.752 282 L CB -0.927 41.059 42.059 -0.121 0.000 0.906 282 L HN 0.179 nan 8.230 nan 0.000 0.436 283 V N -0.957 118.932 119.914 -0.042 0.000 2.287 283 V HA -0.377 3.743 4.120 -0.000 0.000 0.248 283 V C 2.278 178.439 176.094 0.112 0.000 1.053 283 V CA 2.365 64.711 62.300 0.077 0.000 1.027 283 V CB -0.942 31.004 31.823 0.205 0.000 0.646 283 V HN 0.546 nan 8.190 nan 0.000 0.447 284 Y N 0.612 120.862 120.300 -0.083 0.000 2.181 284 Y HA -0.213 4.336 4.550 -0.001 0.000 0.288 284 Y C 2.442 178.231 175.900 -0.185 0.000 1.146 284 Y CA 1.624 59.681 58.100 -0.071 0.000 1.164 284 Y CB -0.343 38.030 38.460 -0.145 0.000 0.982 284 Y HN 0.189 nan 8.280 nan 0.000 0.515 285 A N 0.285 122.880 122.820 -0.375 0.000 1.865 285 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 285 A C 2.378 179.774 177.584 -0.314 0.000 1.191 285 A CA 2.165 53.869 52.037 -0.555 0.000 0.623 285 A CB -1.575 16.960 19.000 -0.775 0.000 0.826 285 A HN 0.564 nan 8.150 nan 0.000 0.444 286 A N -1.230 121.465 122.820 -0.209 0.000 1.902 286 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 286 A C 2.330 179.899 177.584 -0.026 0.000 1.181 286 A CA 2.431 54.416 52.037 -0.087 0.000 0.623 286 A CB -1.334 17.627 19.000 -0.065 0.000 0.818 286 A HN 0.466 nan 8.150 nan 0.000 0.443 287 T N 0.300 114.831 114.554 -0.037 0.000 2.674 287 T HA -0.158 4.192 4.350 -0.000 0.000 0.265 287 T C 2.235 176.922 174.700 -0.023 0.000 1.039 287 T CA 2.441 64.538 62.100 -0.005 0.000 1.150 287 T CB -0.886 68.167 68.868 0.309 0.000 0.864 287 T HN 0.812 nan 8.240 nan 0.000 0.427 288 T N 0.996 115.411 114.554 -0.233 0.000 2.720 288 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 288 T C 1.752 176.340 174.700 -0.187 0.000 1.037 288 T CA 1.197 62.982 62.100 -0.524 0.000 1.144 288 T CB -0.942 67.323 68.868 -1.004 0.000 0.864 288 T HN 0.312 nan 8.240 nan 0.000 0.444 289 F N 2.546 122.409 119.950 -0.144 0.000 2.069 289 F HA -0.007 4.520 4.527 0.001 0.000 0.298 289 F C 2.446 178.295 175.800 0.082 0.000 1.113 289 F CA 1.748 59.790 58.000 0.070 0.000 1.214 289 F CB -0.388 38.629 39.000 0.029 0.000 0.978 289 F HN 0.084 nan 8.300 nan 0.000 0.474 290 K N -0.629 119.771 120.400 -0.000 0.000 1.991 290 K HA -0.242 4.078 4.320 -0.000 0.000 0.212 290 K C 2.178 178.785 176.600 0.012 0.000 1.049 290 K CA 2.396 58.642 56.287 -0.068 0.000 0.932 290 K CB -0.688 31.685 32.500 -0.213 0.000 0.717 290 K HN 0.492 nan 8.250 nan 0.000 0.441 291 Y N -0.803 119.577 120.300 0.133 0.000 2.365 291 Y HA -0.086 4.468 4.550 0.008 0.000 0.293 291 Y C 2.096 178.028 175.900 0.053 0.000 1.119 291 Y CA 0.057 58.264 58.100 0.178 0.000 1.203 291 Y CB 0.440 39.141 38.460 0.401 0.000 1.026 291 Y HN -0.097 nan 8.280 nan 0.000 0.549 292 V N -0.993 118.939 119.914 0.031 0.000 2.488 292 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 292 V C 1.264 177.097 176.094 -0.435 0.000 1.046 292 V CA 1.518 63.647 62.300 -0.284 0.000 1.053 292 V CB -0.500 30.975 31.823 -0.580 0.000 0.679 292 V HN 0.313 nan 8.190 nan 0.000 0.458 293 F N -0.267 119.590 119.950 -0.156 0.000 2.797 293 F HA 0.207 4.734 4.527 0.001 0.000 0.302 293 F C 1.031 176.807 175.800 -0.040 0.000 1.130 293 F CA 0.276 58.179 58.000 -0.161 0.000 1.387 293 F CB -0.204 38.589 39.000 -0.345 0.000 1.107 293 F HN 0.151 nan 8.300 nan 0.000 0.577 294 D N 0.633 121.118 120.400 0.141 0.000 2.704 294 D HA -0.323 4.317 4.640 -0.000 0.000 0.232 294 D C -0.330 176.135 176.300 0.275 0.000 1.183 294 D CA 0.370 54.499 54.000 0.215 0.000 0.647 294 D CB -1.345 39.584 40.800 0.214 0.000 1.013 294 D HN 0.443 nan 8.370 nan 0.000 0.415 295 Y N 1.212 121.542 120.300 0.049 0.000 2.496 295 Y HA 0.357 4.906 4.550 -0.001 0.000 0.334 295 Y C 0.017 175.969 175.900 0.087 0.000 1.080 295 Y CA -0.013 58.117 58.100 0.049 0.000 1.355 295 Y CB 0.393 38.766 38.460 -0.145 0.000 1.193 295 Y HN 0.164 nan 8.280 nan 0.000 0.523 296 H N 6.553 125.097 119.070 -0.877 0.000 2.524 296 H HA 0.399 4.954 4.556 -0.001 0.000 0.353 296 H C -2.431 172.334 175.328 -0.938 0.000 1.136 296 H CA -2.308 53.347 56.048 -0.655 0.000 1.193 296 H CB 1.266 30.867 29.762 -0.268 0.000 1.558 296 H HN 0.523 nan 8.280 nan 0.000 0.515 297 P HA 0.014 nan 4.420 nan 0.000 0.264 297 P C 0.890 178.171 177.300 -0.032 0.000 1.183 297 P CA 1.557 64.600 63.100 -0.094 0.000 0.763 297 P CB 0.519 32.237 31.700 0.030 0.000 0.807 298 G N 1.783 110.638 108.800 0.092 0.000 2.199 298 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.254 298 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.254 298 G C -0.100 174.875 174.900 0.125 0.000 0.982 298 G CA -0.252 44.912 45.100 0.107 0.000 0.632 298 G HN 0.512 nan 8.290 nan 0.000 0.529 299 D N 1.465 121.931 120.400 0.110 0.000 2.383 299 D HA 0.361 5.001 4.640 -0.000 0.000 0.252 299 D C 1.098 177.594 176.300 0.326 0.000 1.166 299 D CA -0.007 54.101 54.000 0.181 0.000 0.879 299 D CB 0.574 41.465 40.800 0.152 0.000 1.164 299 D HN 0.225 nan 8.370 nan 0.000 0.462 300 I N 3.253 123.973 120.570 0.249 0.000 2.396 300 I HA 0.086 4.256 4.170 -0.000 0.000 0.289 300 I C -0.073 176.234 176.117 0.316 0.000 1.056 300 I CA -0.501 60.954 61.300 0.259 0.000 1.365 300 I CB -0.286 37.820 38.000 0.176 0.000 1.407 300 I HN 0.313 nan 8.210 nan 0.000 0.509 301 Y N 7.436 127.871 120.300 0.226 0.000 2.364 301 Y HA 0.476 5.027 4.550 0.001 0.000 0.340 301 Y C -1.361 174.705 175.900 0.278 0.000 0.975 301 Y CA -0.774 57.466 58.100 0.234 0.000 1.089 301 Y CB 1.516 40.156 38.460 0.299 0.000 1.192 301 Y HN 0.610 nan 8.280 nan 0.000 0.454 302 W N 8.585 129.477 121.300 -0.680 0.000 2.587 302 W HA 0.518 5.178 4.660 -0.000 0.000 0.324 302 W C -1.820 174.346 176.519 -0.588 0.000 1.008 302 W CA -1.739 55.304 57.345 -0.503 0.000 1.265 302 W CB 0.857 30.191 29.460 -0.210 0.000 1.328 302 W HN 0.843 nan 8.180 nan 0.000 0.432 303 C N 6.498 125.617 119.300 -0.301 0.000 2.319 303 C HA 0.546 5.006 4.460 -0.000 0.000 0.335 303 C C 1.625 176.534 174.990 -0.135 0.000 1.274 303 C CA 0.384 59.313 59.018 -0.149 0.000 1.806 303 C CB 0.274 28.194 27.740 0.300 0.000 2.329 303 C HN 0.779 nan 8.230 nan 0.000 0.524 304 T N 2.725 117.075 114.554 -0.340 0.000 3.081 304 T HA 0.276 4.626 4.350 -0.000 0.000 0.250 304 T C 0.776 175.519 174.700 0.070 0.000 1.100 304 T CA 0.590 62.579 62.100 -0.186 0.000 1.038 304 T CB -0.140 68.487 68.868 -0.402 0.000 0.962 304 T HN 1.126 nan 8.240 nan 0.000 0.516 305 A N 1.676 124.538 122.820 0.069 0.000 2.445 305 A HA 0.303 4.623 4.320 -0.000 0.000 0.242 305 A C 0.318 178.055 177.584 0.255 0.000 1.075 305 A CA -0.483 51.658 52.037 0.175 0.000 0.777 305 A CB -0.033 19.080 19.000 0.188 0.000 1.013 305 A HN 0.505 nan 8.150 nan 0.000 0.493 306 D N 1.690 122.291 120.400 0.335 0.000 2.389 306 D HA 0.036 4.676 4.640 -0.000 0.000 0.247 306 D C 1.371 177.762 176.300 0.152 0.000 1.128 306 D CA -0.081 54.062 54.000 0.238 0.000 0.884 306 D CB 1.340 42.319 40.800 0.297 0.000 1.194 306 D HN 0.227 nan 8.370 nan 0.000 0.441 307 V N 4.515 124.470 119.914 0.069 0.000 2.511 307 V HA -0.257 3.863 4.120 -0.000 0.000 0.257 307 V C 2.058 178.170 176.094 0.031 0.000 1.088 307 V CA 2.623 64.927 62.300 0.007 0.000 1.098 307 V CB -0.398 31.368 31.823 -0.096 0.000 0.674 307 V HN 0.787 nan 8.190 nan 0.000 0.470 308 G N -2.172 106.557 108.800 -0.119 0.000 2.776 308 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.209 308 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.209 308 G C 0.202 174.828 174.900 -0.456 0.000 1.145 308 G CA -0.192 44.734 45.100 -0.291 0.000 0.791 308 G HN 0.614 nan 8.290 nan 0.000 0.530 309 W N -2.492 118.902 121.300 0.156 0.000 2.850 309 W HA 0.489 5.149 4.660 -0.000 0.000 0.349 309 W C 1.009 177.533 176.519 0.009 0.000 1.133 309 W CA -1.222 56.145 57.345 0.038 0.000 1.117 309 W CB 1.347 30.813 29.460 0.010 0.000 1.442 309 W HN -0.261 nan 8.180 nan 0.000 0.575 310 V N 1.040 121.103 119.914 0.249 0.000 2.490 310 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 310 V C 1.639 178.045 176.094 0.520 0.000 1.061 310 V CA 2.830 65.260 62.300 0.217 0.000 1.064 310 V CB -0.584 31.356 31.823 0.195 0.000 0.670 310 V HN 0.818 nan 8.190 nan 0.000 0.461 311 T N 0.009 114.878 114.554 0.525 0.000 2.833 311 T HA -0.087 4.263 4.350 -0.000 0.000 0.269 311 T C 1.685 176.740 174.700 0.591 0.000 1.054 311 T CA 1.355 63.931 62.100 0.793 0.000 1.135 311 T CB -0.613 68.606 68.868 0.586 0.000 0.869 311 T HN 0.663 nan 8.240 nan 0.000 0.466 312 G N 0.343 109.409 108.800 0.443 0.000 2.421 312 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 312 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 312 G C 1.266 176.290 174.900 0.207 0.000 1.143 312 G CA 0.510 45.797 45.100 0.311 0.000 0.784 312 G HN 0.471 nan 8.290 nan 0.000 0.541 313 H N 0.723 119.811 119.070 0.030 0.000 2.284 313 H HA 0.102 4.658 4.556 -0.000 0.000 0.304 313 H C 2.984 178.288 175.328 -0.040 0.000 1.069 313 H CA 1.581 57.542 56.048 -0.145 0.000 1.327 313 H CB -0.226 29.418 29.762 -0.197 0.000 1.387 313 H HN 0.280 nan 8.280 nan 0.000 0.498 314 S N -0.594 115.241 115.700 0.225 0.000 2.377 314 S HA -0.057 4.413 4.470 -0.000 0.000 0.223 314 S C 1.197 175.385 174.600 -0.686 0.000 1.030 314 S CA 0.991 59.025 58.200 -0.277 0.000 0.970 314 S CB -0.047 62.765 63.200 -0.645 0.000 0.830 314 S HN 0.448 nan 8.310 nan 0.000 0.473 315 Y N -0.064 120.402 120.300 0.276 0.000 2.445 315 Y HA 0.388 4.938 4.550 -0.001 0.000 0.247 315 Y C 1.723 177.865 175.900 0.404 0.000 1.129 315 Y CA -0.404 57.913 58.100 0.360 0.000 1.251 315 Y CB 0.218 39.102 38.460 0.707 0.000 1.176 315 Y HN 0.139 nan 8.280 nan 0.000 0.522 316 L N -0.483 120.939 121.223 0.331 0.000 2.121 316 L HA 0.066 4.406 4.340 -0.000 0.000 0.200 316 L C 1.405 178.304 176.870 0.049 0.000 1.077 316 L CA 1.712 56.701 54.840 0.249 0.000 0.766 316 L CB -0.620 41.544 42.059 0.175 0.000 0.931 316 L HN 0.240 nan 8.230 nan 0.000 0.452 317 L N -1.855 119.287 121.223 -0.136 0.000 2.327 317 L HA -0.030 4.310 4.340 -0.000 0.000 0.192 317 L C 2.408 179.152 176.870 -0.210 0.000 1.158 317 L CA 0.746 55.428 54.840 -0.263 0.000 0.813 317 L CB -0.936 40.779 42.059 -0.573 0.000 1.021 317 L HN 0.054 nan 8.230 nan 0.000 0.481 318 Y N 0.174 120.412 120.300 -0.103 0.000 2.133 318 Y HA -0.076 4.474 4.550 -0.001 0.000 0.287 318 Y C 2.413 178.162 175.900 -0.253 0.000 1.134 318 Y CA 0.953 58.992 58.100 -0.103 0.000 1.133 318 Y CB -1.579 36.915 38.460 0.057 0.000 0.987 318 Y HN 0.180 nan 8.280 nan 0.000 0.502 319 G N 0.456 109.105 108.800 -0.252 0.000 2.511 319 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 319 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 319 G C -0.504 173.928 174.900 -0.781 0.000 1.218 319 G CA 1.113 45.943 45.100 -0.450 0.000 0.788 319 G HN 0.271 nan 8.290 nan 0.000 0.560 320 P HA -0.109 nan 4.420 nan 0.000 0.216 320 P C 1.978 178.888 177.300 -0.651 0.000 1.157 320 P CA 1.023 63.261 63.100 -1.438 0.000 0.880 320 P CB -0.146 31.057 31.700 -0.829 0.000 0.791 321 L N -1.992 119.046 121.223 -0.308 0.000 2.240 321 L HA -0.005 4.335 4.340 -0.000 0.000 0.211 321 L C 2.406 179.303 176.870 0.044 0.000 1.106 321 L CA 0.914 55.725 54.840 -0.049 0.000 0.793 321 L CB -0.901 41.196 42.059 0.062 0.000 0.927 321 L HN -0.059 nan 8.230 nan 0.000 0.446 322 A N -0.750 122.058 122.820 -0.021 0.000 1.933 322 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 322 A C 2.156 179.793 177.584 0.088 0.000 1.175 322 A CA 1.595 53.672 52.037 0.067 0.000 0.628 322 A CB -0.937 18.041 19.000 -0.038 0.000 0.814 322 A HN 0.541 nan 8.150 nan 0.000 0.444 323 C N -1.017 118.225 119.300 -0.097 0.000 2.576 323 C HA 0.427 4.887 4.460 -0.000 0.000 0.267 323 C C 1.900 176.793 174.990 -0.162 0.000 1.364 323 C CA 0.110 59.080 59.018 -0.080 0.000 1.723 323 C CB -1.278 26.392 27.740 -0.118 0.000 1.778 323 C HN 1.073 nan 8.230 nan 0.000 0.572 324 G N 0.816 109.370 108.800 -0.410 0.000 2.176 324 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.252 324 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.252 324 G C 0.154 174.982 174.900 -0.120 0.000 1.024 324 G CA 0.291 44.995 45.100 -0.660 0.000 0.755 324 G HN 0.897 nan 8.290 nan 0.000 0.507 325 A N -0.582 122.160 122.820 -0.130 0.000 2.296 325 A HA 0.768 5.088 4.320 -0.000 0.000 0.264 325 A C 0.785 178.474 177.584 0.175 0.000 1.097 325 A CA 0.815 52.850 52.037 -0.003 0.000 0.811 325 A CB 0.500 19.287 19.000 -0.356 0.000 1.072 325 A HN 0.782 nan 8.150 nan 0.000 0.495 326 T N 1.259 115.965 114.554 0.254 0.000 2.771 326 T HA 0.501 4.851 4.350 -0.000 0.000 0.291 326 T C -0.018 174.806 174.700 0.206 0.000 0.954 326 T CA 0.166 62.381 62.100 0.192 0.000 1.045 326 T CB 0.826 69.815 68.868 0.202 0.000 0.917 326 T HN 0.684 nan 8.240 nan 0.000 0.484 327 T N 3.476 118.104 114.554 0.123 0.000 2.841 327 T HA 0.624 4.974 4.350 -0.000 0.000 0.283 327 T C -0.947 173.798 174.700 0.075 0.000 1.000 327 T CA -0.707 61.516 62.100 0.205 0.000 0.977 327 T CB 0.732 69.715 68.868 0.192 0.000 0.979 327 T HN 0.481 nan 8.240 nan 0.000 0.446 328 L N 5.695 126.963 121.223 0.075 0.000 2.282 328 L HA 0.695 5.035 4.340 -0.000 0.000 0.288 328 L C -0.393 176.474 176.870 -0.005 0.000 1.033 328 L CA -0.724 54.037 54.840 -0.132 0.000 0.807 328 L CB 1.170 42.986 42.059 -0.405 0.000 1.209 328 L HN 0.710 nan 8.230 nan 0.000 0.423 329 M N 5.576 125.160 119.600 -0.026 0.000 2.072 329 M HA 0.340 4.820 4.480 -0.000 0.000 0.331 329 M C -1.668 174.669 176.300 0.062 0.000 1.004 329 M CA -0.644 54.732 55.300 0.127 0.000 0.952 329 M CB 1.083 33.794 32.600 0.183 0.000 1.511 329 M HN 0.554 nan 8.290 nan 0.000 0.422 330 F N 4.094 124.024 119.950 -0.033 0.000 2.408 330 F HA 0.293 4.820 4.527 -0.000 0.000 0.344 330 F C 0.990 176.777 175.800 -0.022 0.000 1.112 330 F CA -0.422 57.504 58.000 -0.124 0.000 1.096 330 F CB 1.084 40.166 39.000 0.136 0.000 1.129 330 F HN 0.778 nan 8.300 nan 0.000 0.486 331 E N 3.114 122.985 120.200 -0.548 0.000 2.216 331 E HA 0.095 4.445 4.350 -0.000 0.000 0.192 331 E C 0.962 177.161 176.600 -0.669 0.000 0.988 331 E CA 0.686 56.839 56.400 -0.413 0.000 0.834 331 E CB 0.070 29.620 29.700 -0.249 0.000 0.772 331 E HN 0.892 nan 8.360 nan 0.000 0.479 332 G N 0.226 108.127 108.800 -1.498 0.000 2.849 332 G HA2 0.431 4.391 3.960 -0.000 0.000 0.174 332 G HA3 0.431 4.391 3.960 -0.000 0.000 0.174 332 G C -0.463 174.057 174.900 -0.633 0.000 1.370 332 G CA 0.052 44.547 45.100 -1.007 0.000 1.040 332 G HN 0.118 nan 8.290 nan 0.000 0.582 333 V N -2.112 117.785 119.914 -0.029 0.000 2.628 333 V HA 0.519 4.639 4.120 -0.000 0.000 0.306 333 V C -1.707 174.759 176.094 0.620 0.000 1.045 333 V CA -1.930 60.552 62.300 0.303 0.000 0.905 333 V CB 2.019 33.955 31.823 0.189 0.000 0.997 333 V HN 0.496 nan 8.190 nan 0.000 0.436 334 P HA -0.150 nan 4.420 nan 0.000 0.222 334 P C 0.505 177.956 177.300 0.251 0.000 1.142 334 P CA 1.731 65.034 63.100 0.338 0.000 0.788 334 P CB -0.151 31.654 31.700 0.174 0.000 0.767 335 N N -3.380 115.477 118.700 0.262 0.000 2.351 335 N HA 0.132 4.872 4.740 -0.000 0.000 0.254 335 N C -0.848 174.820 175.510 0.264 0.000 1.241 335 N CA -0.744 52.430 53.050 0.207 0.000 0.883 335 N CB -0.000 38.574 38.487 0.146 0.000 1.202 335 N HN 0.045 nan 8.380 nan 0.000 0.512 336 W N 2.048 123.429 121.300 0.136 0.000 2.739 336 W HA 0.455 5.115 4.660 -0.000 0.000 0.331 336 W C -2.372 174.215 176.519 0.114 0.000 1.049 336 W CA -1.749 55.657 57.345 0.101 0.000 1.234 336 W CB 2.090 31.597 29.460 0.079 0.000 1.404 336 W HN -0.144 nan 8.180 nan 0.000 0.477 337 P HA -0.042 nan 4.420 nan 0.000 0.221 337 P C 0.202 177.215 177.300 -0.479 0.000 1.150 337 P CA 1.549 63.970 63.100 -1.131 0.000 0.800 337 P CB 0.274 31.428 31.700 -0.911 0.000 0.787 338 T N -6.869 107.559 114.554 -0.211 0.000 2.883 338 T HA 0.449 4.799 4.350 -0.000 0.000 0.296 338 T C -2.568 172.128 174.700 -0.006 0.000 1.117 338 T CA -2.269 59.774 62.100 -0.095 0.000 1.006 338 T CB 1.818 70.634 68.868 -0.087 0.000 1.191 338 T HN -0.335 nan 8.240 nan 0.000 0.508 339 P HA 0.114 nan 4.420 nan 0.000 0.225 339 P C 1.265 178.607 177.300 0.070 0.000 1.148 339 P CA 0.722 63.860 63.100 0.064 0.000 0.779 339 P CB -0.232 31.508 31.700 0.066 0.000 0.780 340 A N -0.606 122.237 122.820 0.038 0.000 2.239 340 A HA -0.099 4.221 4.320 -0.000 0.000 0.209 340 A C 2.242 179.840 177.584 0.024 0.000 1.171 340 A CA 0.772 52.828 52.037 0.031 0.000 0.768 340 A CB -0.890 18.112 19.000 0.003 0.000 0.790 340 A HN -0.034 nan 8.150 nan 0.000 0.478 341 R N 0.109 120.631 120.500 0.036 0.000 2.080 341 R HA -0.149 4.191 4.340 -0.000 0.000 0.236 341 R C 2.060 178.368 176.300 0.015 0.000 1.137 341 R CA 2.387 58.504 56.100 0.028 0.000 0.943 341 R CB -0.667 29.695 30.300 0.103 0.000 0.846 341 R HN 0.554 nan 8.270 nan 0.000 0.431 342 M N -0.578 119.069 119.600 0.078 0.000 2.073 342 M HA -0.260 4.220 4.480 -0.000 0.000 0.258 342 M C 1.938 178.328 176.300 0.150 0.000 1.070 342 M CA 2.291 57.678 55.300 0.144 0.000 1.103 342 M CB -0.266 32.395 32.600 0.101 0.000 1.321 342 M HN 0.365 nan 8.290 nan 0.000 0.405 343 C N 0.311 119.660 119.300 0.081 0.000 2.432 343 C HA -0.092 4.368 4.460 -0.000 0.000 0.282 343 C C 2.465 177.454 174.990 -0.001 0.000 1.388 343 C CA 0.670 59.715 59.018 0.045 0.000 1.777 343 C CB -1.328 26.422 27.740 0.016 0.000 1.882 343 C HN 0.637 nan 8.230 nan 0.000 0.520 344 Q N 0.250 120.034 119.800 -0.027 0.000 2.119 344 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 344 Q C 2.332 178.257 176.000 -0.126 0.000 0.972 344 Q CA 1.392 57.149 55.803 -0.076 0.000 0.847 344 Q CB -0.092 28.598 28.738 -0.080 0.000 0.903 344 Q HN 0.590 nan 8.270 nan 0.000 0.433 345 V N -0.234 119.593 119.914 -0.145 0.000 2.295 345 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 345 V C 2.157 178.165 176.094 -0.143 0.000 1.049 345 V CA 1.341 63.483 62.300 -0.263 0.000 1.024 345 V CB -0.495 30.957 31.823 -0.619 0.000 0.648 345 V HN 0.194 nan 8.190 nan 0.000 0.447 346 V N 0.361 120.286 119.914 0.017 0.000 2.287 346 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 346 V C 2.320 178.410 176.094 -0.006 0.000 1.053 346 V CA 2.412 64.756 62.300 0.073 0.000 1.027 346 V CB -0.654 31.240 31.823 0.119 0.000 0.646 346 V HN 0.570 nan 8.190 nan 0.000 0.447 347 D N -0.518 119.853 120.400 -0.049 0.000 2.097 347 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 347 D C 2.204 178.432 176.300 -0.120 0.000 0.984 347 D CA 1.177 55.134 54.000 -0.071 0.000 0.826 347 D CB -0.290 40.464 40.800 -0.076 0.000 0.973 347 D HN 0.326 nan 8.370 nan 0.000 0.460 348 K N 0.110 120.382 120.400 -0.213 0.000 2.057 348 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 348 K C 0.908 177.242 176.600 -0.443 0.000 1.049 348 K CA 1.089 57.153 56.287 -0.373 0.000 0.931 348 K CB 0.057 32.235 32.500 -0.536 0.000 0.714 348 K HN 0.333 nan 8.250 nan 0.000 0.440 349 H N 0.297 119.315 119.070 -0.087 0.000 2.505 349 H HA 0.132 4.688 4.556 -0.000 0.000 0.286 349 H C -0.198 175.123 175.328 -0.012 0.000 1.072 349 H CA -0.058 55.960 56.048 -0.050 0.000 1.141 349 H CB 0.770 30.459 29.762 -0.122 0.000 1.550 349 H HN 0.195 nan 8.280 nan 0.000 0.547 350 Q N 0.445 120.276 119.800 0.052 0.000 2.452 350 Q HA -0.138 4.202 4.340 -0.000 0.000 0.318 350 Q C -0.167 175.881 176.000 0.079 0.000 1.386 350 Q CA 0.223 56.056 55.803 0.048 0.000 0.872 350 Q CB -2.169 26.596 28.738 0.046 0.000 1.151 350 Q HN 0.216 nan 8.270 nan 0.000 0.417 351 V N 1.045 121.012 119.914 0.088 0.000 2.572 351 V HA -0.037 4.083 4.120 -0.000 0.000 0.291 351 V C 1.496 177.649 176.094 0.097 0.000 1.039 351 V CA 0.849 63.222 62.300 0.120 0.000 1.055 351 V CB 0.952 32.879 31.823 0.173 0.000 0.969 351 V HN 0.490 nan 8.190 nan 0.000 0.482 352 N N 3.457 122.227 118.700 0.116 0.000 2.368 352 N HA 0.331 5.071 4.740 -0.000 0.000 0.178 352 N C -0.270 175.299 175.510 0.099 0.000 1.076 352 N CA 0.072 53.175 53.050 0.089 0.000 0.889 352 N CB 0.503 39.047 38.487 0.094 0.000 1.040 352 N HN 0.578 nan 8.380 nan 0.000 0.463 353 I N 1.293 121.946 120.570 0.139 0.000 2.466 353 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 353 I C -1.483 174.641 176.117 0.012 0.000 1.026 353 I CA -0.923 60.449 61.300 0.119 0.000 1.078 353 I CB 2.179 40.324 38.000 0.240 0.000 1.249 353 I HN -0.100 nan 8.210 nan 0.000 0.429 354 L N 7.624 128.851 121.223 0.007 0.000 2.333 354 L HA 0.554 4.894 4.340 -0.000 0.000 0.280 354 L C -1.743 175.168 176.870 0.069 0.000 1.004 354 L CA -0.486 54.329 54.840 -0.043 0.000 0.820 354 L CB 1.353 43.397 42.059 -0.025 0.000 1.247 354 L HN 0.469 nan 8.230 nan 0.000 0.416 355 Y N 4.357 124.520 120.300 -0.228 0.000 2.332 355 Y HA 0.707 5.258 4.550 0.002 0.000 0.326 355 Y C -0.523 175.303 175.900 -0.124 0.000 0.978 355 Y CA -0.398 57.668 58.100 -0.057 0.000 1.205 355 Y CB 1.476 39.892 38.460 -0.074 0.000 1.131 355 Y HN 0.799 nan 8.280 nan 0.000 0.462 356 T N 3.328 117.774 114.554 -0.181 0.000 2.618 356 T HA 0.889 5.239 4.350 -0.000 0.000 0.293 356 T C -1.611 172.898 174.700 -0.319 0.000 1.093 356 T CA -0.150 61.755 62.100 -0.324 0.000 1.061 356 T CB 1.023 69.713 68.868 -0.297 0.000 1.498 356 T HN 0.781 nan 8.240 nan 0.000 0.494 357 A N 1.460 124.111 122.820 -0.283 0.000 2.330 357 A HA 0.714 5.034 4.320 -0.000 0.000 0.327 357 A C -2.115 175.327 177.584 -0.238 0.000 1.155 357 A CA -1.637 50.254 52.037 -0.244 0.000 0.803 357 A CB 1.062 19.928 19.000 -0.222 0.000 1.208 357 A HN 0.597 nan 8.150 nan 0.000 0.477 358 P HA -0.152 nan 4.420 nan 0.000 0.216 358 P C 1.566 178.782 177.300 -0.140 0.000 1.150 358 P CA 1.981 64.983 63.100 -0.163 0.000 0.843 358 P CB 0.136 31.787 31.700 -0.082 0.000 0.787 359 T N -0.593 113.878 114.554 -0.139 0.000 2.652 359 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 359 T C 1.870 176.506 174.700 -0.106 0.000 1.039 359 T CA 1.872 63.902 62.100 -0.117 0.000 1.153 359 T CB -1.000 67.782 68.868 -0.142 0.000 0.863 359 T HN 0.065 nan 8.240 nan 0.000 0.428 360 A N 1.081 123.831 122.820 -0.117 0.000 1.883 360 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 360 A C 2.287 179.813 177.584 -0.096 0.000 1.186 360 A CA 1.499 53.485 52.037 -0.085 0.000 0.624 360 A CB -0.917 18.033 19.000 -0.084 0.000 0.822 360 A HN 0.532 nan 8.150 nan 0.000 0.444 361 I N -0.747 119.732 120.570 -0.151 0.000 2.151 361 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 361 I C 2.801 178.798 176.117 -0.200 0.000 1.080 361 I CA 1.858 63.071 61.300 -0.145 0.000 1.339 361 I CB -0.362 37.479 38.000 -0.266 0.000 1.039 361 I HN 0.302 nan 8.210 nan 0.000 0.409 362 R N 0.446 120.841 120.500 -0.176 0.000 2.096 362 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 362 R C 2.427 178.609 176.300 -0.196 0.000 1.127 362 R CA 1.400 57.384 56.100 -0.194 0.000 0.968 362 R CB -0.438 29.799 30.300 -0.106 0.000 0.861 362 R HN 0.412 nan 8.270 nan 0.000 0.440 363 A N 1.237 123.981 122.820 -0.126 0.000 1.898 363 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 363 A C 2.164 179.684 177.584 -0.107 0.000 1.181 363 A CA 0.964 52.952 52.037 -0.082 0.000 0.620 363 A CB -0.455 18.530 19.000 -0.025 0.000 0.819 363 A HN 0.152 nan 8.150 nan 0.000 0.442 364 L N -1.306 119.846 121.223 -0.118 0.000 2.083 364 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 364 L C 2.803 179.469 176.870 -0.340 0.000 1.083 364 L CA 1.832 56.619 54.840 -0.088 0.000 0.752 364 L CB -0.494 41.608 42.059 0.072 0.000 0.899 364 L HN 0.556 nan 8.230 nan 0.000 0.433 365 M N -0.208 118.927 119.600 -0.775 0.000 2.229 365 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 365 M C 2.331 178.285 176.300 -0.577 0.000 1.063 365 M CA 1.691 56.208 55.300 -1.304 0.000 1.114 365 M CB -0.073 31.709 32.600 -1.363 0.000 1.387 365 M HN 0.245 nan 8.290 nan 0.000 0.420 366 A N 0.277 122.902 122.820 -0.325 0.000 1.978 366 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 366 A C 1.713 179.243 177.584 -0.091 0.000 1.170 366 A CA 1.685 53.623 52.037 -0.164 0.000 0.636 366 A CB -0.540 18.400 19.000 -0.100 0.000 0.810 366 A HN 0.591 nan 8.150 nan 0.000 0.448 367 E N -0.603 119.555 120.200 -0.070 0.000 2.479 367 E HA 0.248 4.598 4.350 -0.000 0.000 0.193 367 E C 1.496 178.142 176.600 0.076 0.000 1.049 367 E CA 0.548 56.955 56.400 0.011 0.000 0.870 367 E CB -0.597 29.122 29.700 0.032 0.000 0.944 367 E HN 0.615 nan 8.360 nan 0.000 0.492 368 G N 2.684 111.547 108.800 0.104 0.000 2.651 368 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.315 368 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.315 368 G C 0.649 175.753 174.900 0.339 0.000 1.258 368 G CA 0.648 45.917 45.100 0.282 0.000 1.002 368 G HN 0.268 nan 8.290 nan 0.000 0.551 369 D N 0.604 121.131 120.400 0.210 0.000 2.350 369 D HA 0.054 4.694 4.640 -0.000 0.000 0.216 369 D C 2.340 178.703 176.300 0.105 0.000 0.968 369 D CA 0.899 54.982 54.000 0.138 0.000 0.894 369 D CB -0.071 40.775 40.800 0.077 0.000 0.909 369 D HN 0.232 nan 8.370 nan 0.000 0.520 370 K N 0.682 121.145 120.400 0.105 0.000 2.280 370 K HA 0.059 4.379 4.320 -0.000 0.000 0.202 370 K C 1.641 178.294 176.600 0.090 0.000 1.047 370 K CA 0.431 56.762 56.287 0.072 0.000 0.942 370 K CB -0.435 32.099 32.500 0.056 0.000 0.739 370 K HN 0.080 nan 8.250 nan 0.000 0.457 371 A N 0.436 123.350 122.820 0.158 0.000 2.119 371 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 371 A C 1.768 179.425 177.584 0.122 0.000 1.153 371 A CA 1.124 53.274 52.037 0.187 0.000 0.692 371 A CB -0.500 18.728 19.000 0.380 0.000 0.799 371 A HN 0.431 nan 8.150 nan 0.000 0.458 372 I N -4.975 115.638 120.570 0.072 0.000 4.439 372 I HA 0.316 4.486 4.170 -0.000 0.000 0.331 372 I C 0.400 176.512 176.117 -0.009 0.000 1.345 372 I CA -0.272 61.031 61.300 0.005 0.000 1.193 372 I CB 0.046 38.011 38.000 -0.058 0.000 1.221 372 I HN 0.056 nan 8.210 nan 0.000 0.429 373 E N 2.645 122.849 120.200 0.006 0.000 2.465 373 E HA 0.189 4.539 4.350 -0.000 0.000 0.260 373 E C 1.263 177.852 176.600 -0.017 0.000 0.980 373 E CA 1.209 57.605 56.400 -0.006 0.000 0.927 373 E CB 0.381 30.083 29.700 0.003 0.000 0.934 373 E HN 0.583 nan 8.360 nan 0.000 0.459 374 G N 3.221 112.006 108.800 -0.025 0.000 2.162 374 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 374 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 374 G C 0.302 175.180 174.900 -0.038 0.000 0.976 374 G CA 0.788 45.869 45.100 -0.032 0.000 0.655 374 G HN 0.752 nan 8.290 nan 0.000 0.533 375 T N -3.563 110.968 114.554 -0.039 0.000 2.950 375 T HA 0.700 5.050 4.350 -0.000 0.000 0.288 375 T C 0.473 175.141 174.700 -0.054 0.000 1.035 375 T CA 0.280 62.352 62.100 -0.046 0.000 1.028 375 T CB 2.710 71.554 68.868 -0.040 0.000 1.109 375 T HN -0.011 nan 8.240 nan 0.000 0.514 376 D N 0.006 120.372 120.400 -0.057 0.000 2.725 376 D HA 0.051 4.691 4.640 -0.000 0.000 0.269 376 D C 0.938 177.194 176.300 -0.074 0.000 1.018 376 D CA 0.262 54.224 54.000 -0.062 0.000 0.956 376 D CB 0.286 41.053 40.800 -0.055 0.000 1.141 376 D HN 0.730 nan 8.370 nan 0.000 0.478 377 R N -0.550 119.909 120.500 -0.068 0.000 3.977 377 R HA -0.150 4.190 4.340 -0.000 0.000 0.428 377 R C 1.542 177.792 176.300 -0.084 0.000 1.079 377 R CA 0.864 56.917 56.100 -0.078 0.000 1.269 377 R CB -2.119 28.116 30.300 -0.109 0.000 1.856 377 R HN 0.032 nan 8.270 nan 0.000 0.551 378 S N 0.023 115.678 115.700 -0.075 0.000 2.440 378 S HA -0.167 4.303 4.470 -0.000 0.000 0.238 378 S C 1.786 176.351 174.600 -0.058 0.000 1.010 378 S CA 1.439 59.595 58.200 -0.073 0.000 0.972 378 S CB -0.090 63.074 63.200 -0.060 0.000 0.774 378 S HN 0.676 nan 8.310 nan 0.000 0.501 379 S N 0.877 116.552 115.700 -0.042 0.000 2.461 379 S HA 0.133 4.603 4.470 -0.000 0.000 0.228 379 S C 0.589 175.178 174.600 -0.019 0.000 1.005 379 S CA 0.030 58.217 58.200 -0.021 0.000 0.942 379 S CB -0.536 62.663 63.200 -0.002 0.000 0.776 379 S HN 0.361 nan 8.310 nan 0.000 0.514 380 L N 1.856 123.056 121.223 -0.038 0.000 2.455 380 L HA 0.294 4.634 4.340 -0.000 0.000 0.272 380 L C 1.649 178.484 176.870 -0.059 0.000 1.174 380 L CA -0.165 54.649 54.840 -0.044 0.000 0.869 380 L CB 0.583 42.591 42.059 -0.086 0.000 1.130 380 L HN 0.219 nan 8.230 nan 0.000 0.474 381 R N 3.068 123.550 120.500 -0.030 0.000 2.342 381 R HA 0.392 4.732 4.340 -0.000 0.000 0.204 381 R C -0.425 175.865 176.300 -0.017 0.000 0.882 381 R CA 0.057 56.139 56.100 -0.030 0.000 1.041 381 R CB 1.053 31.343 30.300 -0.015 0.000 1.188 381 R HN 0.399 nan 8.270 nan 0.000 0.598 382 I N 1.672 122.247 120.570 0.009 0.000 2.656 382 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 382 I C -0.855 175.284 176.117 0.036 0.000 1.144 382 I CA -0.657 60.672 61.300 0.049 0.000 1.038 382 I CB 2.251 40.338 38.000 0.145 0.000 1.244 382 I HN -0.030 nan 8.210 nan 0.000 0.420 383 L N 4.010 125.235 121.223 0.005 0.000 2.341 383 L HA 0.927 5.267 4.340 -0.000 0.000 0.267 383 L C 0.232 177.218 176.870 0.193 0.000 1.009 383 L CA -0.577 54.271 54.840 0.015 0.000 0.819 383 L CB 2.503 44.353 42.059 -0.349 0.000 1.323 383 L HN 0.720 nan 8.230 nan 0.000 0.425 384 G N -0.216 108.824 108.800 0.400 0.000 2.612 384 G HA2 0.562 4.522 3.960 -0.000 0.000 0.298 384 G HA3 0.562 4.522 3.960 -0.000 0.000 0.298 384 G C -1.775 173.453 174.900 0.546 0.000 1.336 384 G CA -0.372 45.032 45.100 0.507 0.000 0.953 384 G HN 0.395 nan 8.290 nan 0.000 0.482 385 S N -0.391 115.541 115.700 0.387 0.000 2.532 385 S HA 0.736 5.206 4.470 -0.000 0.000 0.299 385 S C -1.038 173.685 174.600 0.205 0.000 1.105 385 S CA -0.643 57.658 58.200 0.168 0.000 1.018 385 S CB 1.613 64.874 63.200 0.101 0.000 1.021 385 S HN 1.214 nan 8.310 nan 0.000 0.483 386 V N 4.238 124.168 119.914 0.028 0.000 3.007 386 V HA 0.828 4.948 4.120 -0.000 0.000 0.311 386 V C 0.733 176.806 176.094 -0.035 0.000 1.120 386 V CA 0.724 63.070 62.300 0.077 0.000 0.980 386 V CB 1.502 33.367 31.823 0.071 0.000 1.033 386 V HN 1.517 nan 8.190 nan 0.000 0.429 387 G N 3.879 112.667 108.800 -0.019 0.000 2.218 387 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.216 387 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.216 387 G C -0.134 174.703 174.900 -0.106 0.000 0.994 387 G CA 0.665 45.686 45.100 -0.133 0.000 0.637 387 G HN 1.610 nan 8.290 nan 0.000 0.505 388 E N -0.778 119.410 120.200 -0.021 0.000 2.398 388 E HA 0.511 4.861 4.350 -0.000 0.000 0.280 388 E C -3.305 173.333 176.600 0.064 0.000 1.122 388 E CA -1.689 54.716 56.400 0.008 0.000 0.873 388 E CB 0.803 30.471 29.700 -0.053 0.000 1.294 388 E HN 0.117 nan 8.360 nan 0.000 0.435 389 P HA 0.245 nan 4.420 nan 0.000 0.271 389 P C -0.693 176.662 177.300 0.092 0.000 1.218 389 P CA -0.225 62.939 63.100 0.107 0.000 0.780 389 P CB 0.808 32.574 31.700 0.109 0.000 0.901 390 I N 2.508 123.155 120.570 0.129 0.000 2.406 390 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 390 I C 0.270 176.497 176.117 0.183 0.000 0.999 390 I CA -1.043 60.344 61.300 0.145 0.000 1.124 390 I CB 1.201 39.312 38.000 0.185 0.000 1.289 390 I HN 0.388 nan 8.210 nan 0.000 0.441 391 N N 7.941 126.736 118.700 0.159 0.000 2.513 391 N HA 0.264 5.004 4.740 -0.000 0.000 0.274 391 N C -2.276 173.361 175.510 0.212 0.000 1.189 391 N CA -1.285 51.862 53.050 0.162 0.000 0.975 391 N CB 1.261 39.814 38.487 0.111 0.000 1.157 391 N HN 0.304 nan 8.380 nan 0.000 0.465 392 P HA -0.193 nan 4.420 nan 0.000 0.218 392 P C 0.896 178.363 177.300 0.277 0.000 1.154 392 P CA 1.813 65.025 63.100 0.186 0.000 0.872 392 P CB 0.212 31.980 31.700 0.114 0.000 0.790 393 E N -0.970 119.360 120.200 0.217 0.000 2.077 393 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 393 E C 2.112 178.890 176.600 0.295 0.000 0.989 393 E CA 1.212 57.751 56.400 0.230 0.000 0.800 393 E CB -0.467 29.323 29.700 0.149 0.000 0.746 393 E HN 0.163 nan 8.360 nan 0.000 0.452 394 A N 0.257 123.231 122.820 0.255 0.000 1.929 394 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 394 A C 1.808 179.639 177.584 0.411 0.000 1.176 394 A CA 0.864 53.055 52.037 0.257 0.000 0.628 394 A CB -0.901 18.167 19.000 0.113 0.000 0.816 394 A HN 0.493 nan 8.150 nan 0.000 0.444 395 W N 1.115 122.546 121.300 0.219 0.000 2.333 395 W HA -0.200 4.459 4.660 -0.002 0.000 0.316 395 W C 2.116 178.838 176.519 0.339 0.000 1.215 395 W CA 1.960 59.465 57.345 0.266 0.000 1.278 395 W CB 0.110 29.670 29.460 0.166 0.000 1.154 395 W HN 0.322 nan 8.180 nan 0.000 0.486 396 E N -0.728 119.933 120.200 0.769 0.000 2.085 396 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 396 E C 1.713 178.640 176.600 0.545 0.000 0.994 396 E CA 1.887 58.681 56.400 0.657 0.000 0.801 396 E CB -1.316 28.677 29.700 0.489 0.000 0.743 396 E HN 0.637 nan 8.360 nan 0.000 0.453 397 W N 0.403 121.880 121.300 0.296 0.000 2.388 397 W HA -0.253 4.407 4.660 -0.000 0.000 0.294 397 W C 2.251 178.887 176.519 0.194 0.000 1.212 397 W CA 1.275 58.747 57.345 0.212 0.000 1.271 397 W CB -0.355 29.201 29.460 0.159 0.000 1.126 397 W HN 0.082 nan 8.180 nan 0.000 0.535 398 Y N -0.165 120.366 120.300 0.385 0.000 2.114 398 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 398 Y C 2.231 178.054 175.900 -0.129 0.000 1.143 398 Y CA 2.264 60.431 58.100 0.111 0.000 1.135 398 Y CB -1.572 36.932 38.460 0.074 0.000 0.980 398 Y HN 0.172 nan 8.280 nan 0.000 0.499 399 W N 1.804 122.886 121.300 -0.363 0.000 2.321 399 W HA -0.264 4.395 4.660 -0.001 0.000 0.306 399 W C 2.509 178.825 176.519 -0.337 0.000 1.217 399 W CA 3.072 60.104 57.345 -0.522 0.000 1.257 399 W CB -0.369 28.751 29.460 -0.565 0.000 1.145 399 W HN 0.120 nan 8.180 nan 0.000 0.509 400 K N -0.175 120.114 120.400 -0.184 0.000 2.067 400 K HA -0.112 4.208 4.320 -0.000 0.000 0.203 400 K C 2.040 178.355 176.600 -0.475 0.000 1.048 400 K CA 1.122 57.205 56.287 -0.340 0.000 0.954 400 K CB -0.179 32.315 32.500 -0.010 0.000 0.737 400 K HN -0.081 nan 8.250 nan 0.000 0.444 401 K N 0.488 120.519 120.400 -0.614 0.000 2.202 401 K HA 0.079 4.399 4.320 -0.000 0.000 0.201 401 K C 2.083 178.359 176.600 -0.540 0.000 1.051 401 K CA 0.496 56.366 56.287 -0.695 0.000 0.977 401 K CB 0.185 31.936 32.500 -1.249 0.000 0.792 401 K HN 0.204 nan 8.250 nan 0.000 0.469 402 I N -0.065 120.190 120.570 -0.525 0.000 2.480 402 I HA -0.009 4.161 4.170 -0.000 0.000 0.251 402 I C 1.932 177.809 176.117 -0.400 0.000 1.124 402 I CA 1.157 62.234 61.300 -0.372 0.000 1.444 402 I CB -1.195 36.648 38.000 -0.262 0.000 1.098 402 I HN 0.059 nan 8.210 nan 0.000 0.428 403 G N 0.142 108.629 108.800 -0.522 0.000 3.088 403 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.217 403 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.217 403 G C 0.835 175.423 174.900 -0.520 0.000 1.159 403 G CA -0.209 44.582 45.100 -0.516 0.000 0.760 403 G HN 0.323 nan 8.290 nan 0.000 0.550 404 K N 0.158 120.260 120.400 -0.497 0.000 3.016 404 K HA -0.241 4.079 4.320 -0.000 0.000 0.262 404 K C 0.503 176.776 176.600 -0.545 0.000 1.043 404 K CA 0.852 56.880 56.287 -0.431 0.000 0.761 404 K CB -1.274 31.052 32.500 -0.290 0.000 1.230 404 K HN 0.605 nan 8.250 nan 0.000 0.485 405 E N -2.338 117.296 120.200 -0.944 0.000 3.286 405 E HA -0.300 4.050 4.350 -0.000 0.000 0.292 405 E C 0.289 176.391 176.600 -0.830 0.000 0.928 405 E CA 1.452 56.986 56.400 -1.445 0.000 0.982 405 E CB -0.677 28.521 29.700 -0.838 0.000 1.500 405 E HN 0.536 nan 8.360 nan 0.000 0.441 406 K N -0.711 119.321 120.400 -0.614 0.000 2.380 406 K HA 0.209 4.529 4.320 -0.000 0.000 0.198 406 K C -0.060 176.437 176.600 -0.172 0.000 1.070 406 K CA 0.373 56.495 56.287 -0.275 0.000 1.040 406 K CB 1.052 33.427 32.500 -0.208 0.000 0.903 406 K HN 0.051 nan 8.250 nan 0.000 0.549 407 C N 2.845 121.988 119.300 -0.262 0.000 2.319 407 C HA 0.393 4.853 4.460 -0.000 0.000 0.323 407 C C -2.493 172.507 174.990 0.016 0.000 1.277 407 C CA -2.089 56.854 59.018 -0.126 0.000 1.517 407 C CB 0.906 28.522 27.740 -0.206 0.000 2.206 407 C HN 0.148 nan 8.230 nan 0.000 0.486 408 P HA 0.042 nan 4.420 nan 0.000 0.263 408 P C -0.517 176.815 177.300 0.053 0.000 1.175 408 P CA 0.387 63.565 63.100 0.131 0.000 0.761 408 P CB 0.361 32.117 31.700 0.094 0.000 0.794 409 V N 4.947 124.888 119.914 0.046 0.000 2.370 409 V HA 0.173 4.293 4.120 -0.000 0.000 0.279 409 V C 0.358 176.526 176.094 0.124 0.000 1.029 409 V CA -0.615 61.670 62.300 -0.026 0.000 0.870 409 V CB 1.583 33.148 31.823 -0.429 0.000 0.984 409 V HN 0.375 nan 8.190 nan 0.000 0.451 410 V N 1.634 121.590 119.914 0.069 0.000 2.353 410 V HA 0.478 4.598 4.120 -0.000 0.000 0.264 410 V C -0.081 176.029 176.094 0.027 0.000 1.049 410 V CA -0.493 61.791 62.300 -0.027 0.000 0.896 410 V CB 1.202 32.878 31.823 -0.244 0.000 1.025 410 V HN 0.789 nan 8.190 nan 0.000 0.475 411 D N 5.267 125.719 120.400 0.087 0.000 2.365 411 D HA 0.298 4.938 4.640 -0.000 0.000 0.237 411 D C 0.438 176.741 176.300 0.005 0.000 1.190 411 D CA 0.079 54.152 54.000 0.123 0.000 0.867 411 D CB 1.254 42.172 40.800 0.197 0.000 1.050 411 D HN 0.907 nan 8.370 nan 0.000 0.491 412 T N 1.718 116.269 114.554 -0.005 0.000 2.756 412 T HA 0.349 4.699 4.350 -0.000 0.000 0.290 412 T C -0.414 174.434 174.700 0.247 0.000 0.985 412 T CA -1.012 61.000 62.100 -0.147 0.000 0.955 412 T CB 0.334 68.771 68.868 -0.718 0.000 0.930 412 T HN 0.384 nan 8.240 nan 0.000 0.451 413 W N 8.008 129.384 121.300 0.128 0.000 2.361 413 W HA 0.649 5.308 4.660 -0.002 0.000 0.309 413 W C -1.079 175.715 176.519 0.459 0.000 1.122 413 W CA -0.152 57.332 57.345 0.232 0.000 1.208 413 W CB 0.686 30.206 29.460 0.101 0.000 1.246 413 W HN 0.876 nan 8.180 nan 0.000 0.490 414 W N 4.304 125.044 121.300 -0.934 0.000 2.743 414 W HA 0.529 5.190 4.660 0.002 0.000 0.434 414 W C -1.954 174.135 176.519 -0.717 0.000 1.048 414 W CA -1.095 55.704 57.345 -0.910 0.000 1.170 414 W CB 0.199 29.570 29.460 -0.148 0.000 1.466 414 W HN 0.400 nan 8.180 nan 0.000 0.596 415 Q N -0.269 119.301 119.800 -0.383 0.000 2.462 415 Q HA 0.311 4.651 4.340 -0.000 0.000 0.285 415 Q C 0.598 176.523 176.000 -0.124 0.000 1.035 415 Q CA -0.597 54.994 55.803 -0.354 0.000 0.799 415 Q CB 2.988 31.648 28.738 -0.130 0.000 1.452 415 Q HN 0.387 nan 8.270 nan 0.000 0.404 416 T N 0.414 114.904 114.554 -0.107 0.000 2.685 416 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 416 T C 0.934 175.830 174.700 0.328 0.000 1.034 416 T CA 2.142 64.326 62.100 0.140 0.000 1.149 416 T CB -0.089 68.860 68.868 0.134 0.000 0.860 416 T HN 0.527 nan 8.240 nan 0.000 0.449 417 E N 0.784 121.102 120.200 0.196 0.000 2.516 417 E HA -0.015 4.335 4.350 -0.000 0.000 0.199 417 E C 2.174 178.917 176.600 0.238 0.000 1.069 417 E CA 1.025 57.504 56.400 0.132 0.000 0.876 417 E CB -0.246 29.430 29.700 -0.040 0.000 0.843 417 E HN 0.731 nan 8.360 nan 0.000 0.530 418 T N -4.743 110.064 114.554 0.422 0.000 3.023 418 T HA 0.365 4.715 4.350 -0.000 0.000 0.253 418 T C 1.719 176.873 174.700 0.756 0.000 1.038 418 T CA 0.340 62.828 62.100 0.648 0.000 0.962 418 T CB 0.523 69.651 68.868 0.434 0.000 1.018 418 T HN 0.200 nan 8.240 nan 0.000 0.521 419 G N 0.814 110.077 108.800 0.773 0.000 2.609 419 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.235 419 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.235 419 G C 0.536 175.695 174.900 0.432 0.000 1.177 419 G CA -0.016 45.423 45.100 0.565 0.000 0.707 419 G HN 1.360 nan 8.290 nan 0.000 0.513 420 G N -1.415 107.619 108.800 0.390 0.000 2.827 420 G HA2 0.634 4.594 3.960 -0.000 0.000 0.296 420 G HA3 0.634 4.594 3.960 -0.000 0.000 0.296 420 G C -0.364 174.392 174.900 -0.240 0.000 1.362 420 G CA -0.742 44.218 45.100 -0.234 0.000 0.809 420 G HN 0.546 nan 8.290 nan 0.000 0.522 421 F N 0.940 120.513 119.950 -0.629 0.000 2.607 421 F HA 0.123 4.649 4.527 -0.002 0.000 0.374 421 F C 1.687 177.400 175.800 -0.145 0.000 1.104 421 F CA -0.284 57.385 58.000 -0.551 0.000 1.296 421 F CB 0.760 39.312 39.000 -0.747 0.000 1.085 421 F HN 0.050 nan 8.300 nan 0.000 0.584 422 M N 2.941 122.680 119.600 0.231 0.000 2.879 422 M HA 0.316 4.796 4.480 -0.000 0.000 0.241 422 M C 0.097 176.577 176.300 0.300 0.000 1.523 422 M CA 0.817 56.252 55.300 0.225 0.000 1.195 422 M CB 0.448 33.132 32.600 0.138 0.000 1.277 422 M HN 0.336 nan 8.290 nan 0.000 0.557 423 I N 0.463 121.248 120.570 0.357 0.000 2.447 423 I HA 0.434 4.604 4.170 -0.000 0.000 0.287 423 I C -0.480 175.695 176.117 0.097 0.000 1.023 423 I CA -0.301 61.118 61.300 0.198 0.000 1.083 423 I CB 2.113 40.186 38.000 0.122 0.000 1.245 423 I HN 0.057 nan 8.210 nan 0.000 0.434 424 T N 6.466 120.999 114.554 -0.035 0.000 2.977 424 T HA 0.423 4.773 4.350 -0.000 0.000 0.345 424 T C -2.970 171.601 174.700 -0.216 0.000 1.562 424 T CA -1.119 60.883 62.100 -0.163 0.000 1.090 424 T CB 2.206 70.882 68.868 -0.319 0.000 1.383 424 T HN 0.153 nan 8.240 nan 0.000 0.484 425 P HA 0.506 nan 4.420 nan 0.000 0.274 425 P C -1.131 176.038 177.300 -0.217 0.000 1.231 425 P CA -0.503 62.447 63.100 -0.250 0.000 0.790 425 P CB 0.416 32.020 31.700 -0.160 0.000 0.951 426 L N 4.585 125.683 121.223 -0.208 0.000 2.322 426 L HA 0.403 4.743 4.340 -0.000 0.000 0.281 426 L C -1.543 175.287 176.870 -0.066 0.000 1.014 426 L CA -1.835 52.940 54.840 -0.109 0.000 0.815 426 L CB 1.419 43.437 42.059 -0.068 0.000 1.247 426 L HN 0.279 nan 8.230 nan 0.000 0.421 427 P HA -0.057 nan 4.420 nan 0.000 0.218 427 P C 1.068 178.391 177.300 0.038 0.000 1.149 427 P CA 0.897 64.008 63.100 0.018 0.000 0.817 427 P CB 0.385 32.111 31.700 0.042 0.000 0.785 428 G N -1.734 107.093 108.800 0.045 0.000 3.233 428 G HA2 0.313 4.273 3.960 -0.000 0.000 0.234 428 G HA3 0.313 4.273 3.960 -0.000 0.000 0.234 428 G C 1.110 176.035 174.900 0.041 0.000 1.137 428 G CA 0.618 45.750 45.100 0.053 0.000 0.763 428 G HN 0.322 nan 8.290 nan 0.000 0.549 429 A N -0.024 122.801 122.820 0.008 0.000 1.999 429 A HA 0.593 4.913 4.320 -0.000 0.000 0.200 429 A C 0.530 178.073 177.584 -0.069 0.000 1.363 429 A CA 0.278 52.309 52.037 -0.009 0.000 0.844 429 A CB 0.433 19.427 19.000 -0.010 0.000 0.954 429 A HN 0.202 nan 8.150 nan 0.000 0.481 430 I N 1.574 122.071 120.570 -0.122 0.000 2.389 430 I HA 0.221 4.391 4.170 -0.000 0.000 0.288 430 I C -0.740 175.362 176.117 -0.024 0.000 0.999 430 I CA -0.431 60.785 61.300 -0.140 0.000 1.129 430 I CB 1.883 39.682 38.000 -0.336 0.000 1.288 430 I HN 0.228 nan 8.210 nan 0.000 0.444 431 E N 6.330 126.564 120.200 0.056 0.000 2.392 431 E HA 0.261 4.611 4.350 -0.000 0.000 0.264 431 E C -0.915 175.766 176.600 0.136 0.000 1.024 431 E CA -0.210 56.248 56.400 0.097 0.000 0.903 431 E CB 0.955 30.704 29.700 0.082 0.000 0.963 431 E HN 0.416 nan 8.360 nan 0.000 0.432 432 L N 3.129 124.421 121.223 0.116 0.000 2.307 432 L HA 0.352 4.692 4.340 -0.000 0.000 0.282 432 L C 0.210 177.053 176.870 -0.046 0.000 1.051 432 L CA -0.507 54.371 54.840 0.064 0.000 0.804 432 L CB 0.721 42.862 42.059 0.138 0.000 1.197 432 L HN 0.269 nan 8.230 nan 0.000 0.431 433 K N 2.437 122.743 120.400 -0.157 0.000 2.274 433 K HA 0.569 4.889 4.320 -0.000 0.000 0.262 433 K C -0.360 175.801 176.600 -0.731 0.000 0.961 433 K CA -0.701 55.411 56.287 -0.291 0.000 0.833 433 K CB 2.060 34.487 32.500 -0.122 0.000 1.102 433 K HN 0.687 nan 8.250 nan 0.000 0.436 434 A N 1.776 124.035 122.820 -0.936 0.000 2.545 434 A HA 0.344 4.664 4.320 -0.000 0.000 0.253 434 A C 1.242 178.440 177.584 -0.644 0.000 1.074 434 A CA 1.100 52.276 52.037 -1.433 0.000 0.760 434 A CB -0.828 17.717 19.000 -0.759 0.000 1.005 434 A HN 1.010 nan 8.150 nan 0.000 0.506 435 G N 1.252 109.649 108.800 -0.670 0.000 2.176 435 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.253 435 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.253 435 G C 0.472 175.195 174.900 -0.296 0.000 0.979 435 G CA 0.645 45.679 45.100 -0.109 0.000 0.641 435 G HN 1.974 nan 8.290 nan 0.000 0.530 436 S N -0.186 115.043 115.700 -0.784 0.000 2.451 436 S HA 0.748 5.218 4.470 -0.000 0.000 0.301 436 S C 1.381 175.679 174.600 -0.503 0.000 1.116 436 S CA 0.555 58.106 58.200 -1.081 0.000 1.093 436 S CB 1.523 63.537 63.200 -1.977 0.000 1.017 436 S HN 1.584 nan 8.310 nan 0.000 0.482 437 A N 3.934 126.560 122.820 -0.324 0.000 2.172 437 A HA 0.232 4.552 4.320 -0.000 0.000 0.216 437 A C 1.552 178.989 177.584 -0.245 0.000 1.154 437 A CA 1.706 53.650 52.037 -0.155 0.000 0.701 437 A CB -1.541 17.464 19.000 0.008 0.000 0.789 437 A HN 2.094 nan 8.150 nan 0.000 0.465 438 T N -2.817 111.494 114.554 -0.406 0.000 14.129 438 T HA -0.279 4.071 4.350 -0.000 0.000 0.419 438 T C 0.247 174.685 174.700 -0.436 0.000 1.441 438 T CA 1.260 62.943 62.100 -0.696 0.000 2.333 438 T CB -1.083 67.259 68.868 -0.877 0.000 2.760 438 T HN 0.745 nan 8.240 nan 0.000 0.274 439 R N 2.611 122.849 120.500 -0.437 0.000 2.668 439 R HA 0.649 4.989 4.340 -0.000 0.000 0.279 439 R C -2.527 173.716 176.300 -0.095 0.000 0.976 439 R CA -2.263 53.693 56.100 -0.241 0.000 0.978 439 R CB 1.427 31.497 30.300 -0.383 0.000 1.133 439 R HN 0.547 nan 8.270 nan 0.000 0.484 440 P HA -0.084 nan 4.420 nan 0.000 0.268 440 P C -0.721 176.701 177.300 0.203 0.000 1.208 440 P CA 0.177 63.336 63.100 0.099 0.000 0.777 440 P CB 0.436 32.224 31.700 0.147 0.000 0.875 441 F N 2.124 122.153 119.950 0.132 0.000 2.370 441 F HA 0.350 4.882 4.527 0.007 0.000 0.319 441 F C 0.452 176.441 175.800 0.315 0.000 1.129 441 F CA -0.681 57.363 58.000 0.074 0.000 1.109 441 F CB 0.184 39.232 39.000 0.081 0.000 1.262 441 F HN 0.170 nan 8.300 nan 0.000 0.534 442 F N 2.658 122.410 119.950 -0.330 0.000 2.604 442 F HA 0.209 4.739 4.527 0.006 0.000 0.393 442 F C 1.461 177.511 175.800 0.416 0.000 1.043 442 F CA 0.768 58.659 58.000 -0.182 0.000 1.227 442 F CB -0.457 38.244 39.000 -0.498 0.000 1.016 442 F HN 0.747 nan 8.300 nan 0.000 0.556 443 G N 1.815 110.857 108.800 0.403 0.000 2.195 443 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.246 443 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.246 443 G C -0.370 174.814 174.900 0.473 0.000 0.984 443 G CA -0.109 45.366 45.100 0.625 0.000 0.633 443 G HN 0.595 nan 8.290 nan 0.000 0.525 444 V N 1.215 121.379 119.914 0.417 0.000 2.370 444 V HA 0.542 4.662 4.120 -0.000 0.000 0.283 444 V C 0.153 176.445 176.094 0.329 0.000 1.023 444 V CA -0.307 62.179 62.300 0.312 0.000 0.857 444 V CB 1.565 33.535 31.823 0.245 0.000 0.985 444 V HN 0.366 nan 8.190 nan 0.000 0.443 445 Q N 6.751 126.721 119.800 0.283 0.000 2.571 445 Q HA 0.331 4.671 4.340 -0.000 0.000 0.243 445 Q C -2.539 173.596 176.000 0.225 0.000 1.055 445 Q CA -1.680 54.288 55.803 0.275 0.000 0.815 445 Q CB 2.002 30.897 28.738 0.263 0.000 1.151 445 Q HN 0.522 nan 8.270 nan 0.000 0.519 446 P HA 0.380 nan 4.420 nan 0.000 0.276 446 P C -1.031 176.348 177.300 0.132 0.000 1.244 446 P CA -0.163 62.960 63.100 0.038 0.000 0.801 446 P CB 1.475 32.980 31.700 -0.324 0.000 1.006 447 A N 1.769 124.664 122.820 0.125 0.000 2.609 447 A HA 0.714 5.034 4.320 -0.000 0.000 0.291 447 A C -1.512 176.135 177.584 0.105 0.000 1.096 447 A CA -0.727 51.397 52.037 0.146 0.000 0.684 447 A CB 1.005 20.078 19.000 0.122 0.000 1.282 447 A HN 0.425 nan 8.150 nan 0.000 0.412 448 L N 1.162 122.438 121.223 0.089 0.000 2.346 448 L HA 0.762 5.102 4.340 -0.000 0.000 0.276 448 L C -0.441 176.389 176.870 -0.066 0.000 1.006 448 L CA -1.080 53.776 54.840 0.027 0.000 0.817 448 L CB 1.830 43.933 42.059 0.073 0.000 1.272 448 L HN 0.738 nan 8.230 nan 0.000 0.421 449 V N -1.682 118.116 119.914 -0.194 0.000 2.962 449 V HA 0.632 4.752 4.120 -0.000 0.000 0.313 449 V C -0.825 175.117 176.094 -0.253 0.000 1.099 449 V CA -0.957 61.169 62.300 -0.290 0.000 0.971 449 V CB 1.973 33.433 31.823 -0.605 0.000 1.028 449 V HN 0.765 nan 8.190 nan 0.000 0.430 450 D N 1.350 121.656 120.400 -0.157 0.000 2.433 450 D HA 0.187 4.827 4.640 -0.000 0.000 0.255 450 D C 0.741 176.984 176.300 -0.094 0.000 1.226 450 D CA -0.562 53.388 54.000 -0.083 0.000 1.015 450 D CB 0.146 40.943 40.800 -0.006 0.000 1.091 450 D HN 0.422 nan 8.370 nan 0.000 0.527 451 N N -0.448 118.246 118.700 -0.009 0.000 2.513 451 N HA -0.130 4.610 4.740 -0.000 0.000 0.187 451 N C 0.414 175.962 175.510 0.063 0.000 1.056 451 N CA 0.705 53.794 53.050 0.064 0.000 0.907 451 N CB -0.070 38.439 38.487 0.036 0.000 0.954 451 N HN 0.516 nan 8.380 nan 0.000 0.445 452 E N -0.975 119.176 120.200 -0.082 0.000 2.481 452 E HA 0.242 4.592 4.350 -0.000 0.000 0.198 452 E C 1.087 177.562 176.600 -0.209 0.000 1.027 452 E CA 0.169 56.448 56.400 -0.201 0.000 0.900 452 E CB 0.272 29.708 29.700 -0.441 0.000 0.993 452 E HN 0.292 nan 8.360 nan 0.000 0.482 453 G N 0.839 109.571 108.800 -0.114 0.000 2.175 453 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.244 453 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.244 453 G C -0.262 174.575 174.900 -0.105 0.000 0.982 453 G CA -0.140 44.886 45.100 -0.123 0.000 0.641 453 G HN 0.501 nan 8.290 nan 0.000 0.527 454 H N 1.940 120.974 119.070 -0.059 0.000 3.026 454 H HA 0.330 4.886 4.556 -0.000 0.000 0.289 454 H C -2.097 173.189 175.328 -0.070 0.000 1.022 454 H CA -1.533 54.489 56.048 -0.043 0.000 1.477 454 H CB 0.654 30.402 29.762 -0.022 0.000 1.510 454 H HN 0.172 nan 8.280 nan 0.000 0.535 455 P HA -0.080 nan 4.420 nan 0.000 0.265 455 P C -0.548 176.770 177.300 0.030 0.000 1.193 455 P CA 0.154 63.269 63.100 0.025 0.000 0.765 455 P CB 0.626 32.351 31.700 0.041 0.000 0.823 456 Q N 2.851 122.661 119.800 0.016 0.000 2.314 456 Q HA 0.256 4.596 4.340 -0.000 0.000 0.259 456 Q C 0.191 176.202 176.000 0.019 0.000 0.951 456 Q CA -0.276 55.536 55.803 0.015 0.000 0.909 456 Q CB 1.270 30.012 28.738 0.006 0.000 1.236 456 Q HN 0.440 nan 8.270 nan 0.000 0.444 457 E N 0.718 120.926 120.200 0.013 0.000 2.250 457 E HA 0.624 4.974 4.350 -0.000 0.000 0.269 457 E C 0.648 177.248 176.600 0.001 0.000 1.018 457 E CA -0.314 56.095 56.400 0.014 0.000 0.873 457 E CB 1.269 30.976 29.700 0.012 0.000 1.134 457 E HN 0.733 nan 8.360 nan 0.000 0.403 458 G N 1.134 109.933 108.800 -0.001 0.000 2.598 458 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.244 458 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.244 458 G C -0.214 174.665 174.900 -0.034 0.000 1.302 458 G CA -0.316 44.774 45.100 -0.015 0.000 0.903 458 G HN 0.792 nan 8.290 nan 0.000 0.575 459 A N -0.276 122.519 122.820 -0.042 0.000 2.451 459 A HA 0.727 5.047 4.320 -0.000 0.000 0.266 459 A C 0.725 178.279 177.584 -0.051 0.000 1.119 459 A CA 1.872 53.875 52.037 -0.057 0.000 0.786 459 A CB 0.394 19.357 19.000 -0.062 0.000 1.061 459 A HN 2.313 nan 8.150 nan 0.000 0.503 460 T N 1.078 115.601 114.554 -0.052 0.000 2.677 460 T HA 0.512 4.862 4.350 -0.000 0.000 0.305 460 T C -1.768 172.915 174.700 -0.028 0.000 1.569 460 T CA -0.274 61.805 62.100 -0.036 0.000 0.984 460 T CB 1.031 69.886 68.868 -0.021 0.000 1.629 460 T HN 0.851 nan 8.240 nan 0.000 0.494 461 E N 0.382 120.573 120.200 -0.016 0.000 2.369 461 E HA 0.760 5.110 4.350 -0.000 0.000 0.270 461 E C -0.134 176.471 176.600 0.008 0.000 0.909 461 E CA -1.214 55.188 56.400 0.002 0.000 0.775 461 E CB 2.242 31.940 29.700 -0.003 0.000 1.270 461 E HN 1.041 nan 8.360 nan 0.000 0.445 462 G N 0.808 109.621 108.800 0.022 0.000 2.348 462 G HA2 0.098 4.058 3.960 -0.000 0.000 0.296 462 G HA3 0.098 4.058 3.960 -0.000 0.000 0.296 462 G C -1.400 173.519 174.900 0.033 0.000 1.258 462 G CA -0.996 44.109 45.100 0.009 0.000 0.868 462 G HN 0.409 nan 8.290 nan 0.000 0.488 463 N N 0.920 119.620 118.700 0.000 0.000 2.420 463 N HA 0.217 4.957 4.740 -0.000 0.000 0.262 463 N C -0.384 175.178 175.510 0.087 0.000 1.144 463 N CA -0.242 52.865 53.050 0.095 0.000 0.952 463 N CB 1.762 40.229 38.487 -0.034 0.000 1.081 463 N HN 0.399 nan 8.380 nan 0.000 0.480 464 L N 4.962 126.292 121.223 0.177 0.000 2.456 464 L HA 0.138 4.478 4.340 -0.000 0.000 0.277 464 L C -0.084 176.916 176.870 0.217 0.000 1.124 464 L CA -0.208 54.688 54.840 0.092 0.000 0.880 464 L CB 0.046 42.048 42.059 -0.094 0.000 1.192 464 L HN 0.289 nan 8.230 nan 0.000 0.463 465 V N 3.951 123.963 119.914 0.164 0.000 3.019 465 V HA 0.685 4.805 4.120 -0.000 0.000 0.317 465 V C -0.311 175.955 176.094 0.286 0.000 1.094 465 V CA -0.919 61.534 62.300 0.256 0.000 1.000 465 V CB 2.231 34.161 31.823 0.178 0.000 1.060 465 V HN 0.494 nan 8.190 nan 0.000 0.443 466 I N 2.607 123.445 120.570 0.447 0.000 2.436 466 I HA 0.400 4.570 4.170 -0.000 0.000 0.289 466 I C 1.073 177.570 176.117 0.633 0.000 1.010 466 I CA 0.057 61.652 61.300 0.492 0.000 1.098 466 I CB 1.477 39.791 38.000 0.522 0.000 1.266 466 I HN 0.991 nan 8.210 nan 0.000 0.434 467 T N -0.355 114.499 114.554 0.501 0.000 3.086 467 T HA 0.182 4.532 4.350 -0.000 0.000 0.250 467 T C 0.347 175.289 174.700 0.403 0.000 1.074 467 T CA 0.189 62.566 62.100 0.462 0.000 0.988 467 T CB 0.377 69.418 68.868 0.288 0.000 0.988 467 T HN 0.527 nan 8.240 nan 0.000 0.530 468 D N 0.039 120.703 120.400 0.440 0.000 2.596 468 D HA 0.459 5.099 4.640 -0.000 0.000 0.262 468 D C -0.835 175.713 176.300 0.414 0.000 1.210 468 D CA -0.462 53.610 54.000 0.120 0.000 0.873 468 D CB 2.468 43.343 40.800 0.125 0.000 1.408 468 D HN 0.075 nan 8.370 nan 0.000 0.441 469 S N -0.053 115.692 115.700 0.074 0.000 2.626 469 S HA 0.664 5.134 4.470 -0.000 0.000 0.257 469 S C -0.999 173.985 174.600 0.640 0.000 1.288 469 S CA -0.197 58.229 58.200 0.377 0.000 0.980 469 S CB 0.272 63.575 63.200 0.171 0.000 0.975 469 S HN 0.391 nan 8.310 nan 0.000 0.577 470 W N -0.488 120.948 121.300 0.227 0.000 3.419 470 W HA 0.474 5.134 4.660 -0.001 0.000 0.298 470 W C -3.047 172.802 176.519 -1.116 0.000 1.260 470 W CA -1.584 55.558 57.345 -0.339 0.000 1.199 470 W CB -0.049 29.248 29.460 -0.271 0.000 1.349 470 W HN 0.338 nan 8.180 nan 0.000 0.557 471 P HA -0.089 nan 4.420 nan 0.000 0.217 471 P C 1.536 178.216 177.300 -1.034 0.000 1.148 471 P CA 2.927 64.687 63.100 -2.234 0.000 0.828 471 P CB 0.081 30.800 31.700 -1.635 0.000 0.783 472 G N -1.489 106.798 108.800 -0.855 0.000 3.042 472 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.212 472 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.212 472 G C 0.500 175.336 174.900 -0.106 0.000 1.166 472 G CA -0.149 44.793 45.100 -0.264 0.000 0.767 472 G HN 0.276 nan 8.290 nan 0.000 0.546 473 Q N 0.814 120.203 119.800 -0.685 0.000 2.333 473 Q HA 0.376 4.716 4.340 -0.000 0.000 0.299 473 Q C 0.603 176.506 176.000 -0.162 0.000 1.067 473 Q CA -0.318 55.106 55.803 -0.633 0.000 0.943 473 Q CB 0.549 28.468 28.738 -1.365 0.000 1.233 473 Q HN 0.246 nan 8.270 nan 0.000 0.401 474 A N 3.991 126.744 122.820 -0.112 0.000 2.483 474 A HA 0.051 4.371 4.320 -0.000 0.000 0.238 474 A C 0.430 177.872 177.584 -0.236 0.000 1.070 474 A CA -0.173 51.618 52.037 -0.411 0.000 0.770 474 A CB 0.434 19.177 19.000 -0.427 0.000 1.008 474 A HN 0.900 nan 8.150 nan 0.000 0.497 475 R N -0.078 120.166 120.500 -0.426 0.000 2.225 475 R HA 0.186 4.526 4.340 -0.000 0.000 0.194 475 R C 0.484 176.296 176.300 -0.814 0.000 0.957 475 R CA 1.168 57.049 56.100 -0.366 0.000 1.042 475 R CB -0.156 30.006 30.300 -0.229 0.000 1.004 475 R HN 0.834 nan 8.270 nan 0.000 0.509 476 T N -0.752 113.099 114.554 -1.172 0.000 2.686 476 T HA 0.404 4.754 4.350 -0.000 0.000 0.308 476 T C -1.801 172.504 174.700 -0.659 0.000 1.667 476 T CA -0.653 60.694 62.100 -1.254 0.000 0.987 476 T CB 0.623 69.276 68.868 -0.358 0.000 1.652 476 T HN -0.068 nan 8.240 nan 0.000 0.496 477 L N 2.543 123.629 121.223 -0.228 0.000 2.307 477 L HA 0.566 4.906 4.340 -0.000 0.000 0.282 477 L C 0.058 176.931 176.870 0.005 0.000 1.051 477 L CA -0.985 53.864 54.840 0.014 0.000 0.804 477 L CB 0.953 43.119 42.059 0.179 0.000 1.197 477 L HN 0.692 nan 8.230 nan 0.000 0.431 478 F N 2.960 122.849 119.950 -0.101 0.000 2.580 478 F HA 0.172 4.699 4.527 -0.000 0.000 0.398 478 F C 1.327 177.125 175.800 -0.003 0.000 1.023 478 F CA 1.193 59.150 58.000 -0.070 0.000 1.188 478 F CB 0.204 39.154 39.000 -0.083 0.000 1.005 478 F HN 0.754 nan 8.300 nan 0.000 0.546 479 G N 3.906 112.194 108.800 -0.854 0.000 2.189 479 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.267 479 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.267 479 G C 0.082 174.841 174.900 -0.235 0.000 0.975 479 G CA 0.432 45.139 45.100 -0.656 0.000 0.644 479 G HN 0.805 nan 8.290 nan 0.000 0.537 480 D N -1.231 119.102 120.400 -0.113 0.000 2.968 480 D HA 0.200 4.840 4.640 -0.000 0.000 0.301 480 D C 1.042 177.395 176.300 0.089 0.000 1.226 480 D CA -0.443 53.560 54.000 0.005 0.000 0.746 480 D CB -0.480 40.340 40.800 0.033 0.000 1.278 480 D HN 0.310 nan 8.370 nan 0.000 0.544 481 H N 0.988 120.060 119.070 0.003 0.000 2.421 481 H HA -0.056 4.499 4.556 -0.000 0.000 0.298 481 H C 1.020 176.452 175.328 0.172 0.000 1.087 481 H CA 1.453 57.548 56.048 0.078 0.000 1.330 481 H CB 0.757 30.529 29.762 0.017 0.000 1.388 481 H HN 0.407 nan 8.280 nan 0.000 0.526 482 E N 0.285 120.553 120.200 0.113 0.000 2.085 482 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 482 E C 2.474 179.102 176.600 0.046 0.000 0.994 482 E CA 0.540 56.977 56.400 0.062 0.000 0.801 482 E CB -0.018 29.720 29.700 0.062 0.000 0.743 482 E HN 0.370 nan 8.360 nan 0.000 0.453 483 R N -0.089 120.453 120.500 0.070 0.000 2.092 483 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 483 R C 2.205 178.569 176.300 0.107 0.000 1.119 483 R CA 0.811 56.949 56.100 0.063 0.000 0.970 483 R CB -0.230 30.109 30.300 0.065 0.000 0.864 483 R HN 0.134 nan 8.270 nan 0.000 0.440 484 F N 2.178 122.138 119.950 0.017 0.000 2.091 484 F HA -0.247 4.280 4.527 -0.001 0.000 0.299 484 F C 1.827 177.757 175.800 0.216 0.000 1.103 484 F CA 1.973 60.062 58.000 0.149 0.000 1.228 484 F CB -0.157 38.862 39.000 0.031 0.000 0.984 484 F HN 0.077 nan 8.300 nan 0.000 0.477 485 E N -0.438 119.796 120.200 0.057 0.000 2.038 485 E HA -0.288 4.062 4.350 -0.000 0.000 0.195 485 E C 2.135 178.788 176.600 0.089 0.000 1.000 485 E CA 1.824 58.263 56.400 0.065 0.000 0.803 485 E CB -0.350 29.345 29.700 -0.008 0.000 0.750 485 E HN 0.598 nan 8.360 nan 0.000 0.448 486 Q N -0.001 119.802 119.800 0.004 0.000 2.123 486 Q HA -0.059 4.281 4.340 -0.000 0.000 0.199 486 Q C 2.231 178.138 176.000 -0.155 0.000 0.966 486 Q CA 1.508 57.281 55.803 -0.050 0.000 0.845 486 Q CB -0.003 28.707 28.738 -0.046 0.000 0.907 486 Q HN 0.151 nan 8.270 nan 0.000 0.439 487 T N -0.191 114.200 114.554 -0.272 0.000 2.788 487 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 487 T C 0.867 175.114 174.700 -0.755 0.000 1.044 487 T CA 1.374 63.128 62.100 -0.577 0.000 1.139 487 T CB -0.125 68.224 68.868 -0.867 0.000 0.867 487 T HN 0.373 nan 8.240 nan 0.000 0.454 488 Y N -1.899 118.197 120.300 -0.339 0.000 2.467 488 Y HA 0.386 4.937 4.550 0.001 0.000 0.259 488 Y C 0.877 176.292 175.900 -0.808 0.000 1.084 488 Y CA -0.456 57.222 58.100 -0.704 0.000 1.275 488 Y CB 0.682 38.502 38.460 -1.066 0.000 1.208 488 Y HN 0.114 nan 8.280 nan 0.000 0.511 489 F N -1.129 118.765 119.950 -0.092 0.000 2.764 489 F HA 0.226 4.753 4.527 -0.001 0.000 0.310 489 F C 1.430 177.205 175.800 -0.042 0.000 1.124 489 F CA -0.121 57.842 58.000 -0.062 0.000 1.252 489 F CB 0.545 39.485 39.000 -0.100 0.000 1.010 489 F HN -0.041 nan 8.300 nan 0.000 0.518 490 S N -2.782 112.932 115.700 0.024 0.000 2.554 490 S HA 0.015 4.485 4.470 -0.000 0.000 0.227 490 S C 1.595 176.111 174.600 -0.139 0.000 1.050 490 S CA 0.457 58.642 58.200 -0.026 0.000 0.927 490 S CB -0.295 62.883 63.200 -0.037 0.000 0.859 490 S HN 0.109 nan 8.310 nan 0.000 0.494 491 T N 1.755 116.140 114.554 -0.281 0.000 2.737 491 T HA 0.213 4.563 4.350 -0.000 0.000 0.265 491 T C -0.179 174.063 174.700 -0.765 0.000 1.038 491 T CA 0.946 62.651 62.100 -0.660 0.000 1.144 491 T CB -0.388 67.846 68.868 -1.057 0.000 0.866 491 T HN 0.503 nan 8.240 nan 0.000 0.434 492 F N 1.705 121.590 119.950 -0.108 0.000 2.532 492 F HA 0.356 4.884 4.527 0.001 0.000 0.365 492 F C 0.068 175.890 175.800 0.038 0.000 1.112 492 F CA -1.240 56.715 58.000 -0.074 0.000 1.082 492 F CB 0.931 39.849 39.000 -0.136 0.000 1.319 492 F HN -0.386 nan 8.300 nan 0.000 0.457 493 K N 2.105 122.619 120.400 0.190 0.000 2.484 493 K HA 0.016 4.336 4.320 -0.000 0.000 0.280 493 K C 0.705 177.449 176.600 0.241 0.000 1.013 493 K CA 0.156 56.552 56.287 0.181 0.000 1.029 493 K CB 0.050 32.625 32.500 0.125 0.000 0.902 493 K HN 0.821 nan 8.250 nan 0.000 0.481 494 N N -0.121 118.757 118.700 0.296 0.000 2.925 494 N HA -0.162 4.578 4.740 -0.000 0.000 0.244 494 N C -0.680 175.161 175.510 0.552 0.000 1.000 494 N CA 1.385 54.661 53.050 0.376 0.000 0.895 494 N CB -0.854 37.788 38.487 0.259 0.000 1.119 494 N HN 0.622 nan 8.380 nan 0.000 0.569 495 M N -0.031 119.884 119.600 0.525 0.000 2.501 495 M HA 0.219 4.699 4.480 -0.000 0.000 0.293 495 M C -0.574 175.929 176.300 0.338 0.000 1.192 495 M CA -0.708 54.917 55.300 0.542 0.000 0.886 495 M CB 2.256 35.088 32.600 0.387 0.000 1.710 495 M HN 0.059 nan 8.290 nan 0.000 0.457 496 Y N 2.777 123.151 120.300 0.125 0.000 2.480 496 Y HA 0.292 4.842 4.550 0.000 0.000 0.341 496 Y C -1.254 174.728 175.900 0.138 0.000 1.031 496 Y CA -0.282 57.683 58.100 -0.224 0.000 1.295 496 Y CB 0.225 38.632 38.460 -0.087 0.000 1.162 496 Y HN 0.458 nan 8.280 nan 0.000 0.523 497 F N 6.257 125.790 119.950 -0.695 0.000 2.391 497 F HA 0.245 4.772 4.527 -0.001 0.000 0.359 497 F C 1.179 176.650 175.800 -0.548 0.000 1.122 497 F CA -1.180 56.621 58.000 -0.333 0.000 1.120 497 F CB 0.878 39.833 39.000 -0.076 0.000 1.142 497 F HN 0.592 nan 8.300 nan 0.000 0.483 498 S N 3.443 118.946 115.700 -0.328 0.000 2.453 498 S HA 0.146 4.616 4.470 -0.000 0.000 0.231 498 S C 1.742 176.105 174.600 -0.396 0.000 1.005 498 S CA 0.588 58.676 58.200 -0.187 0.000 0.949 498 S CB -0.614 62.802 63.200 0.359 0.000 0.774 498 S HN 1.687 nan 8.310 nan 0.000 0.510 499 G N 0.751 108.882 108.800 -1.114 0.000 2.199 499 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.254 499 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.254 499 G C -0.266 174.487 174.900 -0.246 0.000 0.982 499 G CA 0.291 44.899 45.100 -0.821 0.000 0.632 499 G HN 0.560 nan 8.290 nan 0.000 0.529 500 D N 0.661 121.026 120.400 -0.058 0.000 2.229 500 D HA 0.558 5.198 4.640 -0.000 0.000 0.249 500 D C 0.743 177.113 176.300 0.117 0.000 1.027 500 D CA 0.751 54.797 54.000 0.077 0.000 0.923 500 D CB 1.401 42.282 40.800 0.135 0.000 1.174 500 D HN 0.386 nan 8.370 nan 0.000 0.443 501 G N -0.731 108.122 108.800 0.088 0.000 2.410 501 G HA2 0.638 4.598 3.960 -0.000 0.000 0.330 501 G HA3 0.638 4.598 3.960 -0.000 0.000 0.330 501 G C -1.171 173.749 174.900 0.033 0.000 1.142 501 G CA -0.406 44.746 45.100 0.086 0.000 0.902 501 G HN 0.509 nan 8.290 nan 0.000 0.491 502 A N 1.417 124.265 122.820 0.046 0.000 2.587 502 A HA 0.837 5.157 4.320 -0.000 0.000 0.293 502 A C -0.564 177.077 177.584 0.096 0.000 1.087 502 A CA -0.801 51.274 52.037 0.064 0.000 0.692 502 A CB 1.757 20.786 19.000 0.048 0.000 1.291 502 A HN 0.744 nan 8.150 nan 0.000 0.407 503 R N 0.799 121.378 120.500 0.132 0.000 2.393 503 R HA 0.577 4.917 4.340 -0.000 0.000 0.310 503 R C -0.531 175.837 176.300 0.113 0.000 0.968 503 R CA -0.555 55.597 56.100 0.086 0.000 0.867 503 R CB 1.186 31.494 30.300 0.015 0.000 1.124 503 R HN 0.775 nan 8.270 nan 0.000 0.450 504 R N 2.736 123.216 120.500 -0.034 0.000 2.338 504 R HA 0.139 4.479 4.340 -0.000 0.000 0.317 504 R C -0.693 175.565 176.300 -0.069 0.000 0.968 504 R CA -0.647 55.343 56.100 -0.183 0.000 0.849 504 R CB 0.878 30.913 30.300 -0.441 0.000 1.128 504 R HN 0.729 nan 8.270 nan 0.000 0.448 505 D N 2.198 122.613 120.400 0.026 0.000 2.511 505 D HA 0.041 4.681 4.640 -0.000 0.000 0.276 505 D C 0.336 176.615 176.300 -0.035 0.000 1.220 505 D CA -0.396 53.603 54.000 -0.001 0.000 1.077 505 D CB 0.527 41.373 40.800 0.077 0.000 1.126 505 D HN 0.410 nan 8.370 nan 0.000 0.583 506 E N -0.824 119.344 120.200 -0.053 0.000 2.204 506 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 506 E C 0.937 177.510 176.600 -0.044 0.000 0.989 506 E CA 1.012 57.380 56.400 -0.053 0.000 0.824 506 E CB -0.119 29.544 29.700 -0.061 0.000 0.756 506 E HN 0.391 nan 8.360 nan 0.000 0.477 507 D N -0.645 119.716 120.400 -0.065 0.000 2.363 507 D HA 0.025 4.665 4.640 -0.000 0.000 0.220 507 D C 0.999 177.358 176.300 0.098 0.000 0.994 507 D CA 0.980 54.954 54.000 -0.043 0.000 0.890 507 D CB 0.404 41.047 40.800 -0.262 0.000 0.906 507 D HN 0.316 nan 8.370 nan 0.000 0.530 508 G N 0.717 109.549 108.800 0.054 0.000 2.136 508 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.242 508 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.242 508 G C -0.193 174.723 174.900 0.028 0.000 0.989 508 G CA -0.360 44.740 45.100 0.000 0.000 0.682 508 G HN 0.206 nan 8.290 nan 0.000 0.522 509 Y N 0.097 120.301 120.300 -0.160 0.000 2.335 509 Y HA 0.551 5.100 4.550 -0.002 0.000 0.331 509 Y C 0.910 176.660 175.900 -0.250 0.000 1.094 509 Y CA -1.298 56.699 58.100 -0.173 0.000 1.253 509 Y CB 0.261 38.628 38.460 -0.156 0.000 1.203 509 Y HN 0.219 nan 8.280 nan 0.000 0.508 510 Y N 1.386 121.649 120.300 -0.061 0.000 2.299 510 Y HA 0.245 4.794 4.550 -0.002 0.000 0.326 510 Y C -0.795 174.981 175.900 -0.207 0.000 1.164 510 Y CA -0.607 57.465 58.100 -0.048 0.000 1.234 510 Y CB 0.714 39.099 38.460 -0.126 0.000 1.219 510 Y HN 0.520 nan 8.280 nan 0.000 0.497 511 W N 4.186 125.523 121.300 0.060 0.000 2.463 511 W HA 0.491 5.152 4.660 0.001 0.000 0.316 511 W C -1.454 175.058 176.519 -0.012 0.000 1.004 511 W CA -0.660 56.694 57.345 0.016 0.000 1.309 511 W CB 0.644 30.097 29.460 -0.012 0.000 1.288 511 W HN 0.211 nan 8.180 nan 0.000 0.423 512 I N 3.067 123.698 120.570 0.101 0.000 2.452 512 I HA 0.073 4.243 4.170 -0.000 0.000 0.287 512 I C 1.499 177.665 176.117 0.080 0.000 1.079 512 I CA 0.508 61.801 61.300 -0.011 0.000 1.387 512 I CB 0.981 38.896 38.000 -0.141 0.000 1.404 512 I HN 0.491 nan 8.210 nan 0.000 0.522 513 T N 1.884 116.479 114.554 0.069 0.000 3.122 513 T HA 0.590 4.940 4.350 -0.000 0.000 0.250 513 T C 0.701 175.442 174.700 0.067 0.000 1.067 513 T CA 0.008 62.154 62.100 0.077 0.000 0.966 513 T CB -0.350 68.555 68.868 0.063 0.000 1.002 513 T HN 0.993 nan 8.240 nan 0.000 0.542 514 G N 1.561 110.403 108.800 0.071 0.000 2.479 514 G HA2 0.008 3.968 3.960 -0.000 0.000 0.686 514 G HA3 0.008 3.968 3.960 -0.000 0.000 0.686 514 G C -1.253 173.690 174.900 0.072 0.000 1.295 514 G CA -1.402 43.742 45.100 0.074 0.000 0.922 514 G HN 0.374 nan 8.290 nan 0.000 0.582 515 R N 0.013 120.551 120.500 0.063 0.000 2.491 515 R HA 0.331 4.671 4.340 -0.000 0.000 0.283 515 R C 1.622 177.955 176.300 0.056 0.000 1.072 515 R CA 0.374 56.504 56.100 0.051 0.000 1.048 515 R CB 1.031 31.349 30.300 0.030 0.000 0.983 515 R HN 1.284 nan 8.270 nan 0.000 0.450 516 V N -1.912 118.046 119.914 0.074 0.000 3.650 516 V HA 0.024 4.144 4.120 -0.000 0.000 0.271 516 V C 0.548 176.700 176.094 0.097 0.000 1.281 516 V CA 0.112 62.477 62.300 0.109 0.000 1.120 516 V CB -0.470 31.469 31.823 0.193 0.000 0.856 516 V HN 0.640 nan 8.190 nan 0.000 0.443 517 D N 0.453 120.883 120.400 0.049 0.000 2.539 517 D HA 0.203 4.843 4.640 -0.000 0.000 0.276 517 D C -0.565 175.746 176.300 0.018 0.000 1.206 517 D CA -0.808 53.209 54.000 0.030 0.000 1.081 517 D CB 0.167 40.957 40.800 -0.018 0.000 1.142 517 D HN 0.181 nan 8.370 nan 0.000 0.595 518 D N -0.913 119.494 120.400 0.011 0.000 3.085 518 D HA 0.306 4.946 4.640 -0.000 0.000 0.243 518 D C -0.773 175.538 176.300 0.017 0.000 1.232 518 D CA -0.065 53.944 54.000 0.017 0.000 0.913 518 D CB 0.074 40.883 40.800 0.016 0.000 1.108 518 D HN 0.025 nan 8.370 nan 0.000 0.468 519 V N 1.449 121.372 119.914 0.014 0.000 2.540 519 V HA 0.351 4.471 4.120 -0.000 0.000 0.302 519 V C 0.035 176.140 176.094 0.018 0.000 1.035 519 V CA -0.891 61.418 62.300 0.015 0.000 0.873 519 V CB 1.944 33.770 31.823 0.005 0.000 0.992 519 V HN 0.220 nan 8.190 nan 0.000 0.428 520 L N 3.661 124.895 121.223 0.018 0.000 2.375 520 L HA 0.599 4.939 4.340 -0.000 0.000 0.268 520 L C 0.099 176.965 176.870 -0.006 0.000 1.058 520 L CA -0.599 54.249 54.840 0.014 0.000 0.803 520 L CB 1.204 43.276 42.059 0.022 0.000 1.212 520 L HN 0.527 nan 8.230 nan 0.000 0.451 521 N N 1.227 119.918 118.700 -0.014 0.000 2.626 521 N HA 0.296 5.036 4.740 -0.000 0.000 0.249 521 N C -1.425 174.049 175.510 -0.059 0.000 1.021 521 N CA -0.117 52.904 53.050 -0.048 0.000 0.886 521 N CB 1.762 40.223 38.487 -0.042 0.000 1.149 521 N HN 0.175 nan 8.380 nan 0.000 0.517 522 V N 1.898 121.771 119.914 -0.068 0.000 2.347 522 V HA 0.214 4.334 4.120 -0.000 0.000 0.280 522 V C 0.729 176.750 176.094 -0.121 0.000 1.021 522 V CA -0.546 61.716 62.300 -0.064 0.000 0.847 522 V CB 1.182 32.994 31.823 -0.020 0.000 0.990 522 V HN 0.739 nan 8.190 nan 0.000 0.444 523 S N 3.685 119.288 115.700 -0.161 0.000 3.533 523 S HA -0.224 4.246 4.470 -0.000 0.000 0.347 523 S C 1.415 175.737 174.600 -0.463 0.000 1.101 523 S CA 1.325 59.375 58.200 -0.250 0.000 1.009 523 S CB -1.396 61.690 63.200 -0.190 0.000 0.916 523 S HN 2.232 nan 8.310 nan 0.000 0.496 524 G N -0.332 108.244 108.800 -0.373 0.000 2.153 524 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.252 524 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.252 524 G C -0.333 174.189 174.900 -0.631 0.000 0.994 524 G CA 0.630 45.468 45.100 -0.436 0.000 0.698 524 G HN 0.877 nan 8.290 nan 0.000 0.521 525 H N -0.616 118.225 119.070 -0.381 0.000 2.467 525 H HA 0.556 5.112 4.556 0.000 0.000 0.326 525 H C 0.586 175.712 175.328 -0.336 0.000 1.094 525 H CA -0.742 54.987 56.048 -0.533 0.000 1.253 525 H CB 1.052 30.495 29.762 -0.532 0.000 1.439 525 H HN 0.279 nan 8.280 nan 0.000 0.479 526 R N 3.934 124.305 120.500 -0.215 0.000 2.298 526 R HA 0.363 4.703 4.340 -0.000 0.000 0.310 526 R C -1.409 174.870 176.300 -0.035 0.000 1.068 526 R CA -0.289 55.746 56.100 -0.108 0.000 0.957 526 R CB 0.221 30.456 30.300 -0.108 0.000 1.003 526 R HN 0.602 nan 8.270 nan 0.000 0.454 527 L N 3.209 124.434 121.223 0.003 0.000 2.431 527 L HA 0.442 4.782 4.340 -0.000 0.000 0.266 527 L C 0.124 177.023 176.870 0.047 0.000 0.978 527 L CA -1.067 53.799 54.840 0.044 0.000 0.822 527 L CB 2.348 44.434 42.059 0.045 0.000 1.310 527 L HN 0.838 nan 8.230 nan 0.000 0.409 528 G N -0.276 108.561 108.800 0.062 0.000 2.370 528 G HA2 0.341 4.301 3.960 -0.000 0.000 0.272 528 G HA3 0.341 4.301 3.960 -0.000 0.000 0.272 528 G C 1.038 175.969 174.900 0.053 0.000 1.208 528 G CA 0.273 45.404 45.100 0.051 0.000 0.856 528 G HN 0.772 nan 8.290 nan 0.000 0.500 529 T N 0.476 115.058 114.554 0.046 0.000 2.788 529 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 529 T C 2.538 177.270 174.700 0.055 0.000 1.044 529 T CA 1.653 63.784 62.100 0.052 0.000 1.139 529 T CB -0.201 68.697 68.868 0.051 0.000 0.867 529 T HN 0.626 nan 8.240 nan 0.000 0.454 530 A N 2.583 125.431 122.820 0.047 0.000 1.972 530 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 530 A C 2.331 179.949 177.584 0.056 0.000 1.169 530 A CA 1.705 53.770 52.037 0.046 0.000 0.635 530 A CB -0.716 18.304 19.000 0.034 0.000 0.810 530 A HN 0.883 nan 8.150 nan 0.000 0.446 531 E N -0.211 120.025 120.200 0.061 0.000 2.216 531 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 531 E C 1.709 178.357 176.600 0.079 0.000 0.988 531 E CA 0.960 57.401 56.400 0.068 0.000 0.834 531 E CB -0.352 29.391 29.700 0.071 0.000 0.772 531 E HN 0.631 nan 8.360 nan 0.000 0.479 532 I N 1.326 121.943 120.570 0.079 0.000 2.333 532 I HA -0.170 4.000 4.170 -0.000 0.000 0.246 532 I C 2.234 178.407 176.117 0.094 0.000 1.106 532 I CA 1.092 62.443 61.300 0.086 0.000 1.411 532 I CB -0.228 37.816 38.000 0.073 0.000 1.082 532 I HN 0.119 nan 8.210 nan 0.000 0.420 533 E N 0.864 121.114 120.200 0.084 0.000 2.038 533 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 533 E C 2.318 178.978 176.600 0.100 0.000 1.000 533 E CA 1.764 58.215 56.400 0.086 0.000 0.803 533 E CB -0.130 29.613 29.700 0.072 0.000 0.750 533 E HN 0.329 nan 8.360 nan 0.000 0.448 534 S N 0.856 116.613 115.700 0.094 0.000 2.380 534 S HA -0.260 4.210 4.470 -0.000 0.000 0.229 534 S C 2.132 176.824 174.600 0.154 0.000 1.043 534 S CA 1.209 59.472 58.200 0.105 0.000 1.038 534 S CB -0.330 62.919 63.200 0.082 0.000 0.872 534 S HN 0.421 nan 8.310 nan 0.000 0.456 535 A N 1.027 123.943 122.820 0.161 0.000 1.930 535 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 535 A C 2.138 179.960 177.584 0.398 0.000 1.175 535 A CA 1.086 53.262 52.037 0.232 0.000 0.627 535 A CB -0.619 18.472 19.000 0.151 0.000 0.815 535 A HN 0.443 nan 8.150 nan 0.000 0.443 536 L N -0.712 120.668 121.223 0.262 0.000 2.005 536 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 536 L C 2.441 179.411 176.870 0.168 0.000 1.072 536 L CA 1.104 56.071 54.840 0.212 0.000 0.744 536 L CB -0.494 41.632 42.059 0.112 0.000 0.895 536 L HN 0.218 nan 8.230 nan 0.000 0.433 537 V N 0.021 120.023 119.914 0.147 0.000 2.759 537 V HA -0.213 3.907 4.120 -0.000 0.000 0.256 537 V C 2.527 178.696 176.094 0.125 0.000 1.080 537 V CA 1.438 63.804 62.300 0.111 0.000 1.101 537 V CB -0.808 31.069 31.823 0.091 0.000 0.698 537 V HN 0.471 nan 8.190 nan 0.000 0.477 538 A N -1.658 121.295 122.820 0.221 0.000 2.168 538 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 538 A C 1.325 179.006 177.584 0.161 0.000 1.152 538 A CA 0.394 52.593 52.037 0.269 0.000 0.716 538 A CB -0.647 18.592 19.000 0.399 0.000 0.794 538 A HN 0.610 nan 8.150 nan 0.000 0.465 539 H N 0.999 119.938 119.070 -0.219 0.000 2.803 539 H HA 0.112 4.667 4.556 -0.000 0.000 0.330 539 H C -1.632 173.446 175.328 -0.417 0.000 1.057 539 H CA -1.325 54.217 56.048 -0.843 0.000 1.458 539 H CB 1.297 30.483 29.762 -0.960 0.000 1.470 539 H HN 0.118 nan 8.280 nan 0.000 0.560 540 P HA -0.085 nan 4.420 nan 0.000 0.225 540 P C 0.707 177.966 177.300 -0.069 0.000 1.148 540 P CA 1.097 64.051 63.100 -0.243 0.000 0.779 540 P CB 0.411 31.936 31.700 -0.290 0.000 0.780 541 K N -0.797 119.669 120.400 0.110 0.000 2.323 541 K HA 0.169 4.489 4.320 -0.000 0.000 0.197 541 K C 1.057 177.690 176.600 0.056 0.000 1.043 541 K CA 0.116 56.466 56.287 0.105 0.000 0.997 541 K CB 0.186 32.761 32.500 0.125 0.000 0.807 541 K HN 0.235 nan 8.250 nan 0.000 0.497 542 I N 0.550 121.161 120.570 0.069 0.000 2.428 542 I HA 0.048 4.218 4.170 -0.000 0.000 0.289 542 I C 1.025 177.172 176.117 0.050 0.000 1.019 542 I CA -0.304 61.021 61.300 0.041 0.000 1.351 542 I CB 1.746 39.760 38.000 0.023 0.000 1.412 542 I HN 0.000 nan 8.210 nan 0.000 0.513 543 A N 5.117 127.974 122.820 0.061 0.000 1.909 543 A HA 0.248 4.568 4.320 -0.000 0.000 0.209 543 A C 0.548 178.169 177.584 0.061 0.000 1.247 543 A CA 0.660 52.733 52.037 0.060 0.000 0.660 543 A CB 0.194 19.238 19.000 0.073 0.000 0.910 543 A HN 0.764 nan 8.150 nan 0.000 0.465 544 E N -1.973 118.271 120.200 0.072 0.000 2.366 544 E HA 0.655 5.005 4.350 -0.000 0.000 0.278 544 E C -1.225 175.425 176.600 0.083 0.000 0.923 544 E CA -0.498 55.943 56.400 0.069 0.000 0.761 544 E CB 2.285 32.023 29.700 0.062 0.000 1.231 544 E HN 0.472 nan 8.360 nan 0.000 0.443 545 A N 1.013 123.880 122.820 0.078 0.000 2.549 545 A HA 0.869 5.189 4.320 -0.000 0.000 0.297 545 A C -1.634 176.002 177.584 0.086 0.000 1.061 545 A CA -0.471 51.620 52.037 0.091 0.000 0.690 545 A CB 1.832 20.881 19.000 0.082 0.000 1.287 545 A HN 0.561 nan 8.150 nan 0.000 0.402 546 A N 0.903 123.794 122.820 0.118 0.000 2.356 546 A HA 0.713 5.033 4.320 -0.000 0.000 0.310 546 A C -1.067 176.638 177.584 0.202 0.000 1.075 546 A CA -0.462 51.641 52.037 0.110 0.000 0.746 546 A CB 1.293 20.309 19.000 0.027 0.000 1.221 546 A HN 1.342 nan 8.150 nan 0.000 0.443 547 V N 3.007 123.011 119.914 0.149 0.000 2.555 547 V HA 0.688 4.808 4.120 -0.000 0.000 0.302 547 V C 0.091 176.276 176.094 0.151 0.000 1.038 547 V CA -0.337 62.057 62.300 0.158 0.000 0.887 547 V CB 1.456 33.337 31.823 0.098 0.000 0.991 547 V HN 1.208 nan 8.190 nan 0.000 0.434 548 V N 1.752 121.778 119.914 0.186 0.000 3.102 548 V HA 1.030 5.150 4.120 -0.000 0.000 0.312 548 V C 0.192 176.351 176.094 0.108 0.000 1.135 548 V CA -0.541 61.836 62.300 0.128 0.000 1.022 548 V CB 1.933 33.830 31.823 0.123 0.000 1.056 548 V HN 0.925 nan 8.190 nan 0.000 0.436 549 G N 1.534 110.374 108.800 0.067 0.000 2.377 549 G HA2 0.682 4.642 3.960 -0.000 0.000 0.299 549 G HA3 0.682 4.642 3.960 -0.000 0.000 0.299 549 G C -0.538 174.383 174.900 0.036 0.000 1.150 549 G CA -0.499 44.635 45.100 0.057 0.000 0.847 549 G HN 1.465 nan 8.290 nan 0.000 0.501 550 I N -0.293 120.308 120.570 0.051 0.000 2.740 550 I HA 0.646 4.816 4.170 -0.000 0.000 0.303 550 I C -2.742 173.412 176.117 0.062 0.000 1.044 550 I CA -3.159 58.160 61.300 0.031 0.000 1.064 550 I CB 2.620 40.641 38.000 0.034 0.000 1.249 550 I HN 0.170 nan 8.210 nan 0.000 0.433 551 P HA 0.135 nan 4.420 nan 0.000 0.266 551 P C -1.484 175.875 177.300 0.098 0.000 1.195 551 P CA 0.541 63.675 63.100 0.057 0.000 0.768 551 P CB 0.139 31.853 31.700 0.023 0.000 0.838 552 H N 1.214 120.287 119.070 0.005 0.000 2.877 552 H HA 0.525 5.081 4.556 -0.000 0.000 0.347 552 H C 0.888 176.211 175.328 -0.007 0.000 1.042 552 H CA -0.504 55.547 56.048 0.004 0.000 1.276 552 H CB 1.550 31.316 29.762 0.007 0.000 1.681 552 H HN 0.328 nan 8.280 nan 0.000 0.521 553 A N 4.992 127.682 122.820 -0.217 0.000 1.892 553 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 553 A C 1.573 179.182 177.584 0.042 0.000 1.188 553 A CA 1.979 53.962 52.037 -0.090 0.000 0.631 553 A CB -0.375 18.531 19.000 -0.158 0.000 0.822 553 A HN 0.657 nan 8.150 nan 0.000 0.447 554 I N -1.064 119.631 120.570 0.208 0.000 2.385 554 I HA -0.039 4.131 4.170 -0.000 0.000 0.244 554 I C 2.041 178.228 176.117 0.117 0.000 1.089 554 I CA 1.239 62.627 61.300 0.147 0.000 1.410 554 I CB -1.365 36.725 38.000 0.151 0.000 1.117 554 I HN 0.282 nan 8.210 nan 0.000 0.429 555 K N 0.562 121.070 120.400 0.179 0.000 2.432 555 K HA 0.085 4.405 4.320 -0.000 0.000 0.196 555 K C 1.520 178.109 176.600 -0.019 0.000 1.038 555 K CA 0.766 57.023 56.287 -0.051 0.000 0.986 555 K CB 0.218 32.527 32.500 -0.319 0.000 0.782 555 K HN 0.519 nan 8.250 nan 0.000 0.485 556 G N 1.105 109.942 108.800 0.063 0.000 4.365 556 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.214 556 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.214 556 G C -0.045 174.894 174.900 0.064 0.000 1.450 556 G CA -0.132 44.992 45.100 0.041 0.000 0.937 556 G HN 0.351 nan 8.290 nan 0.000 0.625 557 Q N 0.521 120.344 119.800 0.037 0.000 2.372 557 Q HA 0.705 5.045 4.340 -0.000 0.000 0.273 557 Q C -0.220 175.792 176.000 0.021 0.000 1.078 557 Q CA -0.145 55.688 55.803 0.049 0.000 0.806 557 Q CB 2.328 31.082 28.738 0.027 0.000 1.332 557 Q HN 1.034 nan 8.270 nan 0.000 0.435 558 A N 2.081 124.936 122.820 0.058 0.000 2.344 558 A HA 0.804 5.124 4.320 -0.000 0.000 0.307 558 A C -0.841 176.780 177.584 0.062 0.000 1.151 558 A CA -0.691 51.356 52.037 0.018 0.000 0.842 558 A CB 0.855 19.878 19.000 0.039 0.000 1.350 558 A HN 0.698 nan 8.150 nan 0.000 0.459 559 I N 0.648 121.246 120.570 0.046 0.000 2.321 559 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 559 I C -1.213 174.945 176.117 0.069 0.000 0.998 559 I CA -0.149 61.186 61.300 0.058 0.000 1.227 559 I CB 1.061 39.076 38.000 0.025 0.000 1.368 559 I HN 0.604 nan 8.210 nan 0.000 0.466 560 Y N 6.743 127.012 120.300 -0.051 0.000 2.345 560 Y HA 0.719 5.269 4.550 -0.000 0.000 0.331 560 Y C -0.354 175.451 175.900 -0.157 0.000 0.959 560 Y CA -0.913 57.115 58.100 -0.120 0.000 1.204 560 Y CB 1.254 39.651 38.460 -0.106 0.000 1.135 560 Y HN 0.605 nan 8.280 nan 0.000 0.477 561 A N 6.121 128.780 122.820 -0.268 0.000 2.288 561 A HA 0.569 4.889 4.320 -0.000 0.000 0.320 561 A C -1.860 175.544 177.584 -0.299 0.000 1.217 561 A CA -0.463 51.475 52.037 -0.165 0.000 0.840 561 A CB 0.109 19.011 19.000 -0.162 0.000 1.179 561 A HN 0.752 nan 8.150 nan 0.000 0.504 562 Y N 1.428 121.700 120.300 -0.047 0.000 2.313 562 Y HA 0.488 5.038 4.550 -0.000 0.000 0.332 562 Y C 0.151 176.034 175.900 -0.028 0.000 1.071 562 Y CA -0.143 57.921 58.100 -0.061 0.000 1.169 562 Y CB 1.707 40.127 38.460 -0.067 0.000 1.192 562 Y HN 0.374 nan 8.280 nan 0.000 0.487 563 V N 2.844 122.848 119.914 0.151 0.000 2.623 563 V HA 0.361 4.481 4.120 -0.000 0.000 0.304 563 V C -0.599 175.643 176.094 0.247 0.000 1.054 563 V CA -0.926 61.470 62.300 0.160 0.000 0.882 563 V CB 2.194 34.085 31.823 0.113 0.000 1.002 563 V HN 0.770 nan 8.190 nan 0.000 0.424 564 T N 6.220 120.884 114.554 0.184 0.000 2.788 564 T HA 0.592 4.942 4.350 -0.000 0.000 0.296 564 T C -0.095 174.683 174.700 0.130 0.000 1.009 564 T CA -0.312 61.885 62.100 0.161 0.000 0.949 564 T CB 0.611 69.554 68.868 0.126 0.000 0.946 564 T HN 0.360 nan 8.240 nan 0.000 0.453 565 L N 3.200 124.489 121.223 0.109 0.000 2.436 565 L HA 0.308 4.648 4.340 -0.000 0.000 0.265 565 L C 1.007 177.915 176.870 0.063 0.000 1.168 565 L CA -1.052 53.817 54.840 0.047 0.000 0.815 565 L CB 0.276 42.311 42.059 -0.039 0.000 1.109 565 L HN 0.540 nan 8.230 nan 0.000 0.462 566 N N 0.505 119.239 118.700 0.055 0.000 2.345 566 N HA -0.053 4.687 4.740 -0.000 0.000 0.243 566 N C 0.044 175.624 175.510 0.118 0.000 1.246 566 N CA 0.209 53.311 53.050 0.087 0.000 0.863 566 N CB 0.163 38.679 38.487 0.050 0.000 1.096 566 N HN 0.484 nan 8.380 nan 0.000 0.446 567 H N 0.288 119.355 119.070 -0.005 0.000 3.125 567 H HA 0.016 4.572 4.556 -0.000 0.000 0.310 567 H C 1.325 176.643 175.328 -0.016 0.000 0.980 567 H CA 1.155 57.199 56.048 -0.007 0.000 1.422 567 H CB 0.428 30.188 29.762 -0.003 0.000 1.432 567 H HN 0.864 nan 8.280 nan 0.000 0.577 568 G N 3.387 112.184 108.800 -0.004 0.000 2.424 568 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.207 568 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.207 568 G C 0.222 175.090 174.900 -0.052 0.000 1.061 568 G CA -0.364 44.725 45.100 -0.018 0.000 0.657 568 G HN 0.521 nan 8.290 nan 0.000 0.508 569 E N 1.929 122.096 120.200 -0.056 0.000 2.425 569 E HA 0.515 4.865 4.350 -0.000 0.000 0.258 569 E C 0.431 176.950 176.600 -0.135 0.000 1.151 569 E CA 0.892 57.238 56.400 -0.090 0.000 0.958 569 E CB 0.541 30.187 29.700 -0.090 0.000 0.968 569 E HN 1.148 nan 8.360 nan 0.000 0.451 570 E N 1.299 121.392 120.200 -0.178 0.000 2.290 570 E HA 0.442 4.792 4.350 -0.000 0.000 0.274 570 E C -2.687 173.704 176.600 -0.348 0.000 0.889 570 E CA -1.977 54.292 56.400 -0.217 0.000 0.760 570 E CB 0.947 30.558 29.700 -0.147 0.000 1.206 570 E HN 0.155 nan 8.360 nan 0.000 0.419 571 P HA 0.293 nan 4.420 nan 0.000 0.264 571 P C -0.415 176.658 177.300 -0.379 0.000 1.183 571 P CA 0.224 62.856 63.100 -0.780 0.000 0.763 571 P CB 0.806 31.996 31.700 -0.849 0.000 0.807 572 S N 1.989 117.517 115.700 -0.287 0.000 2.638 572 S HA 0.586 5.056 4.470 -0.000 0.000 0.274 572 S C -2.435 172.192 174.600 0.045 0.000 1.157 572 S CA -1.358 56.788 58.200 -0.089 0.000 0.826 572 S CB 1.550 64.705 63.200 -0.075 0.000 1.139 572 S HN 0.076 nan 8.310 nan 0.000 0.474 573 P HA 0.066 nan 4.420 nan 0.000 0.223 573 P C 0.858 178.238 177.300 0.133 0.000 1.151 573 P CA 0.870 64.033 63.100 0.104 0.000 0.787 573 P CB 0.030 31.745 31.700 0.024 0.000 0.788 574 E N -0.603 119.647 120.200 0.083 0.000 2.106 574 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 574 E C 1.798 178.470 176.600 0.120 0.000 0.984 574 E CA 0.600 57.052 56.400 0.086 0.000 0.806 574 E CB -0.624 29.104 29.700 0.047 0.000 0.750 574 E HN 0.143 nan 8.360 nan 0.000 0.458 575 L N 0.326 121.607 121.223 0.096 0.000 2.056 575 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 575 L C 2.123 179.153 176.870 0.266 0.000 1.078 575 L CA 1.582 56.467 54.840 0.074 0.000 0.749 575 L CB -0.610 41.361 42.059 -0.146 0.000 0.901 575 L HN 0.094 nan 8.230 nan 0.000 0.433 576 Y N 0.085 120.578 120.300 0.321 0.000 2.040 576 Y HA -0.398 4.152 4.550 -0.000 0.000 0.275 576 Y C 2.488 178.487 175.900 0.166 0.000 1.171 576 Y CA 2.576 60.893 58.100 0.362 0.000 1.123 576 Y CB -0.488 38.144 38.460 0.286 0.000 0.963 576 Y HN 0.291 nan 8.280 nan 0.000 0.493 577 A N -0.243 122.806 122.820 0.383 0.000 1.940 577 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 577 A C 2.191 179.883 177.584 0.180 0.000 1.176 577 A CA 1.948 54.130 52.037 0.242 0.000 0.631 577 A CB -0.912 18.197 19.000 0.181 0.000 0.814 577 A HN 0.680 nan 8.150 nan 0.000 0.446 578 E N -0.259 120.046 120.200 0.174 0.000 2.077 578 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 578 E C 1.863 178.584 176.600 0.202 0.000 0.989 578 E CA 1.497 58.006 56.400 0.182 0.000 0.800 578 E CB -0.082 29.719 29.700 0.168 0.000 0.746 578 E HN 0.356 nan 8.360 nan 0.000 0.452 579 V N 1.255 121.232 119.914 0.105 0.000 2.379 579 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 579 V C 2.456 178.618 176.094 0.115 0.000 1.044 579 V CA 1.580 63.903 62.300 0.039 0.000 1.036 579 V CB -0.476 31.308 31.823 -0.065 0.000 0.664 579 V HN 0.247 nan 8.190 nan 0.000 0.453 580 R N 0.437 120.968 120.500 0.051 0.000 2.094 580 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 580 R C 2.180 178.555 176.300 0.124 0.000 1.137 580 R CA 1.782 57.916 56.100 0.057 0.000 0.943 580 R CB -0.704 29.626 30.300 0.049 0.000 0.850 580 R HN 0.516 nan 8.270 nan 0.000 0.433 581 N N 0.230 119.024 118.700 0.155 0.000 2.205 581 N HA -0.220 4.520 4.740 -0.000 0.000 0.186 581 N C 1.405 177.032 175.510 0.195 0.000 1.015 581 N CA 0.945 54.088 53.050 0.154 0.000 0.862 581 N CB -0.290 38.290 38.487 0.156 0.000 0.986 581 N HN 0.443 nan 8.380 nan 0.000 0.429 582 W N 1.933 123.288 121.300 0.092 0.000 2.379 582 W HA -0.115 4.545 4.660 0.000 0.000 0.307 582 W C 1.581 178.152 176.519 0.087 0.000 1.200 582 W CA 0.885 58.301 57.345 0.119 0.000 1.297 582 W CB -0.266 29.334 29.460 0.233 0.000 1.140 582 W HN -0.185 nan 8.180 nan 0.000 0.507 583 V N 1.776 121.840 119.914 0.250 0.000 2.407 583 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 583 V C 2.690 178.798 176.094 0.023 0.000 1.055 583 V CA 2.338 64.710 62.300 0.120 0.000 1.049 583 V CB -1.102 30.799 31.823 0.130 0.000 0.662 583 V HN 0.190 nan 8.190 nan 0.000 0.455 584 R N 0.815 121.338 120.500 0.038 0.000 2.127 584 R HA -0.228 4.112 4.340 -0.000 0.000 0.238 584 R C 2.339 178.629 176.300 -0.018 0.000 1.134 584 R CA 2.096 58.211 56.100 0.023 0.000 0.975 584 R CB -0.209 30.115 30.300 0.040 0.000 0.865 584 R HN 0.579 nan 8.270 nan 0.000 0.447 585 K N -0.184 120.162 120.400 -0.091 0.000 2.211 585 K HA -0.049 4.271 4.320 -0.000 0.000 0.201 585 K C 1.450 177.916 176.600 -0.222 0.000 1.052 585 K CA 0.715 56.909 56.287 -0.156 0.000 0.973 585 K CB 0.215 32.589 32.500 -0.211 0.000 0.766 585 K HN 0.074 nan 8.250 nan 0.000 0.466 586 E N 0.617 120.640 120.200 -0.296 0.000 2.072 586 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 586 E C 1.872 178.422 176.600 -0.083 0.000 0.985 586 E CA 1.235 57.482 56.400 -0.256 0.000 0.801 586 E CB 0.165 29.712 29.700 -0.255 0.000 0.750 586 E HN 0.437 nan 8.360 nan 0.000 0.452 587 I N -2.012 118.560 120.570 0.003 0.000 3.669 587 I HA 0.275 4.445 4.170 -0.000 0.000 0.255 587 I C 0.957 177.204 176.117 0.216 0.000 1.144 587 I CA 0.433 61.813 61.300 0.133 0.000 1.447 587 I CB 1.136 39.228 38.000 0.154 0.000 1.622 587 I HN 0.088 nan 8.210 nan 0.000 0.435 588 G N 0.139 109.015 108.800 0.127 0.000 2.352 588 G HA2 0.087 4.047 3.960 -0.000 0.000 0.302 588 G HA3 0.087 4.047 3.960 -0.000 0.000 0.302 588 G C -2.710 172.226 174.900 0.060 0.000 1.370 588 G CA -0.643 44.517 45.100 0.099 0.000 0.918 588 G HN -0.216 nan 8.290 nan 0.000 0.610 589 P HA -0.084 nan 4.420 nan 0.000 0.217 589 P C 2.379 179.698 177.300 0.032 0.000 1.151 589 P CA 1.873 64.993 63.100 0.034 0.000 0.849 589 P CB -0.079 31.638 31.700 0.028 0.000 0.787 590 L N -3.374 117.860 121.223 0.019 0.000 2.263 590 L HA -0.057 4.283 4.340 -0.000 0.000 0.216 590 L C 1.736 178.612 176.870 0.010 0.000 1.111 590 L CA 2.165 56.994 54.840 -0.019 0.000 0.773 590 L CB -1.147 40.800 42.059 -0.186 0.000 0.906 590 L HN -0.115 nan 8.230 nan 0.000 0.439 591 A N -0.683 122.157 122.820 0.034 0.000 2.538 591 A HA 0.290 4.610 4.320 -0.000 0.000 0.269 591 A C 0.709 178.316 177.584 0.039 0.000 1.231 591 A CA -0.231 51.834 52.037 0.048 0.000 0.948 591 A CB -0.160 18.888 19.000 0.081 0.000 1.110 591 A HN 0.340 nan 8.150 nan 0.000 0.529 592 T N 3.836 118.408 114.554 0.030 0.000 2.817 592 T HA 0.318 4.668 4.350 -0.000 0.000 0.295 592 T C -2.602 172.098 174.700 -0.000 0.000 0.958 592 T CA -0.229 61.884 62.100 0.022 0.000 1.157 592 T CB 0.516 69.400 68.868 0.027 0.000 0.898 592 T HN 0.161 nan 8.240 nan 0.000 0.536 593 P HA 0.197 nan 4.420 nan 0.000 0.271 593 P C -0.052 177.207 177.300 -0.069 0.000 1.220 593 P CA -0.217 62.843 63.100 -0.066 0.000 0.768 593 P CB 0.584 32.201 31.700 -0.138 0.000 0.848 594 D N 0.806 121.181 120.400 -0.043 0.000 2.234 594 D HA -0.008 4.632 4.640 -0.000 0.000 0.205 594 D C 0.119 176.410 176.300 -0.016 0.000 0.962 594 D CA 1.244 55.243 54.000 -0.002 0.000 0.855 594 D CB 0.159 40.979 40.800 0.034 0.000 0.951 594 D HN 0.092 nan 8.370 nan 0.000 0.500 595 V N 0.993 120.815 119.914 -0.154 0.000 2.733 595 V HA 0.328 4.448 4.120 -0.000 0.000 0.306 595 V C -0.818 174.919 176.094 -0.595 0.000 1.084 595 V CA -0.816 61.309 62.300 -0.291 0.000 0.905 595 V CB 2.445 34.018 31.823 -0.415 0.000 1.010 595 V HN -0.050 nan 8.190 nan 0.000 0.424 596 L N 3.905 124.676 121.223 -0.753 0.000 2.305 596 L HA 0.555 4.895 4.340 -0.000 0.000 0.284 596 L C -0.451 175.822 176.870 -0.995 0.000 1.013 596 L CA -0.465 53.721 54.840 -1.090 0.000 0.819 596 L CB 1.280 42.289 42.059 -1.750 0.000 1.227 596 L HN 0.780 nan 8.230 nan 0.000 0.417 597 H N 3.294 121.797 119.070 -0.945 0.000 2.725 597 H HA 0.255 4.811 4.556 -0.000 0.000 0.283 597 H C -1.095 174.026 175.328 -0.346 0.000 1.110 597 H CA -0.824 54.843 56.048 -0.634 0.000 1.289 597 H CB 0.531 29.901 29.762 -0.653 0.000 1.400 597 H HN 0.489 nan 8.280 nan 0.000 0.493 598 W N 4.216 125.573 121.300 0.094 0.000 2.264 598 W HA 0.244 4.904 4.660 0.000 0.000 0.331 598 W C 0.397 177.056 176.519 0.233 0.000 1.364 598 W CA -0.139 57.270 57.345 0.106 0.000 1.253 598 W CB 0.864 30.343 29.460 0.031 0.000 1.215 598 W HN 0.415 nan 8.180 nan 0.000 0.561 599 T N 2.227 117.041 114.554 0.433 0.000 2.957 599 T HA 0.070 4.420 4.350 -0.000 0.000 0.336 599 T C -0.502 174.324 174.700 0.209 0.000 1.462 599 T CA -0.695 61.604 62.100 0.332 0.000 1.073 599 T CB 1.158 70.252 68.868 0.378 0.000 1.319 599 T HN 0.397 nan 8.240 nan 0.000 0.485 600 D N 1.914 122.405 120.400 0.152 0.000 2.424 600 D HA 0.255 4.895 4.640 -0.000 0.000 0.220 600 D C 0.407 176.761 176.300 0.090 0.000 1.150 600 D CA 0.082 54.144 54.000 0.103 0.000 0.831 600 D CB 0.770 41.606 40.800 0.060 0.000 0.981 600 D HN 0.306 nan 8.370 nan 0.000 0.500 601 S N 0.304 116.064 115.700 0.100 0.000 2.711 601 S HA 0.238 4.708 4.470 -0.000 0.000 0.247 601 S C 0.636 175.246 174.600 0.017 0.000 1.079 601 S CA -0.415 57.825 58.200 0.066 0.000 1.050 601 S CB 0.626 63.878 63.200 0.086 0.000 0.885 601 S HN 0.190 nan 8.310 nan 0.000 0.498 602 L N 3.692 124.918 121.223 0.007 0.000 2.540 602 L HA 0.141 4.481 4.340 -0.000 0.000 0.276 602 L C -2.223 174.615 176.870 -0.053 0.000 1.212 602 L CA -1.002 53.806 54.840 -0.055 0.000 0.893 602 L CB 0.051 42.093 42.059 -0.027 0.000 1.138 602 L HN 0.061 nan 8.230 nan 0.000 0.491 603 P HA 0.346 nan 4.420 nan 0.000 0.291 603 P C -1.207 176.062 177.300 -0.053 0.000 1.340 603 P CA -0.542 62.519 63.100 -0.065 0.000 0.799 603 P CB 1.008 32.657 31.700 -0.086 0.000 0.917 604 K N 1.087 121.469 120.400 -0.030 0.000 2.340 604 K HA 0.589 4.909 4.320 -0.000 0.000 0.244 604 K C 0.787 177.378 176.600 -0.016 0.000 0.973 604 K CA -0.623 55.650 56.287 -0.023 0.000 0.828 604 K CB 1.433 33.925 32.500 -0.013 0.000 1.226 604 K HN 0.331 nan 8.250 nan 0.000 0.437 605 T N -1.280 113.265 114.554 -0.015 0.000 2.994 605 T HA 0.213 4.563 4.350 -0.000 0.000 0.322 605 T C 1.824 176.519 174.700 -0.007 0.000 1.199 605 T CA -0.030 62.063 62.100 -0.011 0.000 0.945 605 T CB 0.122 68.983 68.868 -0.012 0.000 1.754 605 T HN 0.607 nan 8.240 nan 0.000 0.571 606 R N 0.711 121.207 120.500 -0.006 0.000 2.083 606 R HA -0.064 4.276 4.340 -0.000 0.000 0.237 606 R C 2.628 178.926 176.300 -0.004 0.000 1.137 606 R CA 2.425 58.522 56.100 -0.004 0.000 0.951 606 R CB -2.021 28.276 30.300 -0.004 0.000 0.851 606 R HN 0.865 nan 8.270 nan 0.000 0.434 607 S N -3.015 112.682 115.700 -0.005 0.000 2.540 607 S HA 0.421 4.891 4.470 -0.000 0.000 0.218 607 S C 1.660 176.257 174.600 -0.004 0.000 0.977 607 S CA 0.766 58.964 58.200 -0.004 0.000 0.918 607 S CB 0.765 63.962 63.200 -0.005 0.000 0.806 607 S HN 1.677 nan 8.310 nan 0.000 0.496 608 G N 1.548 110.345 108.800 -0.005 0.000 2.213 608 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.226 608 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.226 608 G C 0.010 174.907 174.900 -0.006 0.000 0.992 608 G CA -0.043 45.055 45.100 -0.004 0.000 0.632 608 G HN 0.640 nan 8.290 nan 0.000 0.511 609 K N 1.315 121.710 120.400 -0.008 0.000 2.511 609 K HA 0.245 4.565 4.320 -0.000 0.000 0.280 609 K C 0.335 176.925 176.600 -0.017 0.000 1.008 609 K CA -0.008 56.272 56.287 -0.011 0.000 1.050 609 K CB 0.180 32.673 32.500 -0.012 0.000 0.889 609 K HN 0.368 nan 8.250 nan 0.000 0.484 610 I N 5.204 125.761 120.570 -0.021 0.000 2.412 610 I HA 0.159 4.329 4.170 -0.000 0.000 0.296 610 I C -0.584 175.506 176.117 -0.045 0.000 0.987 610 I CA -0.675 60.604 61.300 -0.034 0.000 1.180 610 I CB 1.545 39.526 38.000 -0.032 0.000 1.340 610 I HN 0.694 nan 8.210 nan 0.000 0.455 611 M N 8.213 127.776 119.600 -0.062 0.000 2.557 611 M HA 0.252 4.732 4.480 -0.000 0.000 0.328 611 M C 1.098 177.347 176.300 -0.084 0.000 1.423 611 M CA 0.134 55.395 55.300 -0.064 0.000 1.418 611 M CB -0.108 32.455 32.600 -0.061 0.000 1.381 611 M HN 0.596 nan 8.290 nan 0.000 0.467 612 R N 0.977 121.441 120.500 -0.061 0.000 2.153 612 R HA -0.078 4.262 4.340 -0.000 0.000 0.218 612 R C 2.420 178.687 176.300 -0.054 0.000 1.072 612 R CA 1.304 57.368 56.100 -0.059 0.000 0.990 612 R CB -0.281 30.002 30.300 -0.027 0.000 0.889 612 R HN 0.699 nan 8.270 nan 0.000 0.452 613 R N 1.113 121.587 120.500 -0.043 0.000 2.075 613 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 613 R C 2.286 178.558 176.300 -0.046 0.000 1.126 613 R CA 1.583 57.663 56.100 -0.034 0.000 0.963 613 R CB -1.824 28.462 30.300 -0.023 0.000 0.858 613 R HN 0.284 nan 8.270 nan 0.000 0.435 614 I N 0.255 120.789 120.570 -0.061 0.000 2.252 614 I HA -0.046 4.124 4.170 -0.000 0.000 0.245 614 I C 2.383 178.442 176.117 -0.097 0.000 1.102 614 I CA 1.760 63.019 61.300 -0.068 0.000 1.385 614 I CB -0.784 37.177 38.000 -0.065 0.000 1.064 614 I HN 0.496 nan 8.210 nan 0.000 0.414 615 L N 0.253 121.381 121.223 -0.158 0.000 2.042 615 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 615 L C 2.935 179.775 176.870 -0.050 0.000 1.076 615 L CA 2.444 57.143 54.840 -0.236 0.000 0.749 615 L CB -0.906 40.901 42.059 -0.420 0.000 0.893 615 L HN 0.356 nan 8.230 nan 0.000 0.432 616 R N 0.707 121.181 120.500 -0.043 0.000 2.088 616 R HA -0.220 4.120 4.340 -0.000 0.000 0.232 616 R C 2.739 179.005 176.300 -0.057 0.000 1.136 616 R CA 2.413 58.493 56.100 -0.033 0.000 0.926 616 R CB -0.339 29.949 30.300 -0.020 0.000 0.837 616 R HN 0.217 nan 8.270 nan 0.000 0.429 617 K N 0.849 121.223 120.400 -0.044 0.000 2.044 617 K HA -0.151 4.169 4.320 -0.000 0.000 0.210 617 K C 2.021 178.595 176.600 -0.044 0.000 1.049 617 K CA 1.996 58.260 56.287 -0.038 0.000 0.927 617 K CB -1.102 31.382 32.500 -0.026 0.000 0.713 617 K HN 0.351 nan 8.250 nan 0.000 0.443 618 I N 0.566 121.115 120.570 -0.034 0.000 2.163 618 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 618 I C 3.028 179.098 176.117 -0.078 0.000 1.085 618 I CA 1.358 62.653 61.300 -0.008 0.000 1.347 618 I CB -0.327 37.706 38.000 0.055 0.000 1.044 618 I HN 0.449 nan 8.210 nan 0.000 0.408 619 A N 0.624 123.305 122.820 -0.231 0.000 1.902 619 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 619 A C 2.482 179.883 177.584 -0.305 0.000 1.181 619 A CA 1.777 53.432 52.037 -0.637 0.000 0.623 619 A CB -0.902 17.454 19.000 -1.074 0.000 0.818 619 A HN 0.456 nan 8.150 nan 0.000 0.443 620 A N -1.459 121.263 122.820 -0.164 0.000 2.186 620 A HA 0.297 4.617 4.320 -0.000 0.000 0.219 620 A C 1.835 179.392 177.584 -0.044 0.000 1.159 620 A CA 1.555 53.546 52.037 -0.076 0.000 0.680 620 A CB -1.221 17.750 19.000 -0.049 0.000 0.787 620 A HN 2.122 nan 8.150 nan 0.000 0.467 621 G N -0.430 108.345 108.800 -0.043 0.000 2.303 621 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.260 621 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.260 621 G C -0.664 174.235 174.900 -0.003 0.000 1.106 621 G CA 0.133 45.230 45.100 -0.006 0.000 0.900 621 G HN 0.461 nan 8.290 nan 0.000 0.495 622 D N -0.167 120.229 120.400 -0.007 0.000 2.268 622 D HA 0.741 5.381 4.640 -0.000 0.000 0.249 622 D C 0.522 176.825 176.300 0.006 0.000 1.008 622 D CA 0.048 54.046 54.000 -0.003 0.000 0.939 622 D CB 1.327 42.121 40.800 -0.010 0.000 1.170 622 D HN 0.064 nan 8.370 nan 0.000 0.468 623 T N -0.199 114.358 114.554 0.005 0.000 3.418 623 T HA 0.670 5.020 4.350 -0.000 0.000 0.315 623 T C -0.090 174.612 174.700 0.003 0.000 1.447 623 T CA -0.562 61.543 62.100 0.008 0.000 1.641 623 T CB 0.071 68.946 68.868 0.012 0.000 0.904 623 T HN 0.551 nan 8.240 nan 0.000 0.640 631 T N 1.126 115.675 114.554 -0.009 0.000 2.771 631 T HA 0.714 5.064 4.350 -0.000 0.000 0.291 631 T C 0.530 175.224 174.700 -0.009 0.000 0.954 631 T CA -0.455 61.641 62.100 -0.008 0.000 1.045 631 T CB -0.163 68.702 68.868 -0.005 0.000 0.917 631 T HN 0.620 nan 8.240 nan 0.000 0.484 632 L N 2.679 123.896 121.223 -0.010 0.000 2.657 632 L HA 0.681 5.021 4.340 -0.000 0.000 0.152 632 L C 2.248 179.114 176.870 -0.008 0.000 1.773 632 L CA -0.554 54.279 54.840 -0.012 0.000 3.024 632 L CB -0.556 41.493 42.059 -0.016 0.000 3.023 632 L HN 0.726 nan 8.230 nan 0.000 0.780 633 A N -1.604 121.211 122.820 -0.007 0.000 2.259 633 A HA 0.170 4.490 4.320 -0.000 0.000 0.213 633 A C -0.186 177.398 177.584 0.000 0.000 1.209 633 A CA 0.455 52.490 52.037 -0.003 0.000 0.910 633 A CB 0.150 19.149 19.000 -0.003 0.000 0.946 633 A HN 0.610 nan 8.150 nan 0.000 0.497 634 D N -1.007 119.393 120.400 0.000 0.000 2.470 634 D HA 0.300 4.940 4.640 -0.000 0.000 0.233 634 D C -2.322 173.980 176.300 0.003 0.000 1.372 634 D CA -1.128 52.875 54.000 0.004 0.000 0.994 634 D CB 1.770 42.575 40.800 0.009 0.000 1.377 634 D HN -0.041 nan 8.370 nan 0.000 0.586 635 P HA 0.133 nan 4.420 nan 0.000 0.224 635 P C 1.355 178.659 177.300 0.007 0.000 1.157 635 P CA 0.322 63.424 63.100 0.003 0.000 0.799 635 P CB 0.221 31.923 31.700 0.003 0.000 0.809 636 G N 0.959 109.766 108.800 0.012 0.000 2.807 636 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.207 636 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.207 636 G C 1.360 176.274 174.900 0.024 0.000 1.151 636 G CA 0.657 45.767 45.100 0.018 0.000 0.800 636 G HN 0.356 nan 8.290 nan 0.000 0.523 637 V N -2.638 117.288 119.914 0.020 0.000 3.052 637 V HA 0.048 4.168 4.120 -0.000 0.000 0.254 637 V C 2.424 178.535 176.094 0.027 0.000 1.100 637 V CA 0.710 63.026 62.300 0.027 0.000 1.112 637 V CB -0.054 31.779 31.823 0.017 0.000 0.738 637 V HN 0.075 nan 8.190 nan 0.000 0.469 638 V N 1.446 121.370 119.914 0.016 0.000 2.515 638 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 638 V C 2.752 178.868 176.094 0.037 0.000 1.058 638 V CA 2.341 64.651 62.300 0.016 0.000 1.064 638 V CB -0.541 31.285 31.823 0.004 0.000 0.675 638 V HN 0.737 nan 8.190 nan 0.000 0.461 639 E N 1.769 121.992 120.200 0.037 0.000 2.046 639 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 639 E C 2.189 178.827 176.600 0.063 0.000 0.982 639 E CA 2.144 58.570 56.400 0.044 0.000 0.800 639 E CB -0.436 29.284 29.700 0.033 0.000 0.756 639 E HN 0.463 nan 8.360 nan 0.000 0.449 640 K N 1.118 121.559 120.400 0.068 0.000 2.026 640 K HA -0.038 4.282 4.320 -0.000 0.000 0.208 640 K C 2.389 179.074 176.600 0.142 0.000 1.048 640 K CA 1.671 58.013 56.287 0.091 0.000 0.929 640 K CB -1.348 31.204 32.500 0.085 0.000 0.713 640 K HN 0.284 nan 8.250 nan 0.000 0.439 641 L N 0.100 121.413 121.223 0.151 0.000 2.201 641 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 641 L C 2.698 179.722 176.870 0.256 0.000 1.105 641 L CA 0.683 55.663 54.840 0.234 0.000 0.775 641 L CB -0.253 41.885 42.059 0.131 0.000 0.913 641 L HN 0.299 nan 8.230 nan 0.000 0.440 642 L N -0.818 120.498 121.223 0.156 0.000 2.023 642 L HA -0.187 4.153 4.340 -0.000 0.000 0.205 642 L C 2.854 179.797 176.870 0.121 0.000 1.073 642 L CA 1.131 56.049 54.840 0.129 0.000 0.745 642 L CB -0.374 41.733 42.059 0.079 0.000 0.900 642 L HN 0.098 nan 8.230 nan 0.000 0.435 643 E N -0.065 120.194 120.200 0.098 0.000 2.033 643 E HA -0.298 4.052 4.350 -0.000 0.000 0.199 643 E C 1.933 178.576 176.600 0.071 0.000 1.011 643 E CA 1.603 58.047 56.400 0.073 0.000 0.815 643 E CB -0.407 29.329 29.700 0.061 0.000 0.755 643 E HN 0.545 nan 8.360 nan 0.000 0.451 644 E N -0.230 120.026 120.200 0.093 0.000 2.169 644 E HA -0.236 4.114 4.350 -0.000 0.000 0.202 644 E C 2.283 178.842 176.600 -0.069 0.000 1.016 644 E CA 1.259 57.670 56.400 0.018 0.000 0.817 644 E CB -0.140 29.619 29.700 0.098 0.000 0.736 644 E HN 0.037 nan 8.360 nan 0.000 0.462 645 K N 0.460 120.925 120.400 0.107 0.000 2.439 645 K HA -0.112 4.208 4.320 -0.000 0.000 0.197 645 K C 1.542 178.185 176.600 0.072 0.000 1.041 645 K CA 0.683 57.057 56.287 0.145 0.000 0.970 645 K CB 0.244 32.900 32.500 0.259 0.000 0.773 645 K HN 0.133 nan 8.250 nan 0.000 0.479 646 Q N -0.680 119.148 119.800 0.046 0.000 2.451 646 Q HA 0.108 4.448 4.340 -0.000 0.000 0.206 646 Q C 0.622 176.629 176.000 0.011 0.000 0.947 646 Q CA 0.175 55.998 55.803 0.032 0.000 0.937 646 Q CB 0.422 29.179 28.738 0.032 0.000 1.025 646 Q HN 0.178 nan 8.270 nan 0.000 0.511 647 A N 0.000 122.815 122.820 -0.008 0.000 2.254 647 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 647 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 647 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 647 A HN 0.000 nan 8.150 nan 0.000 0.486