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 2qmj_1_A DATA FIRST_RESID 7 DATA SEQUENCE VNELERINcI PDQPPTKATC DQRGcCWNPQ GAVSVPWCYY SKNHSYHVEG DATA SEQUENCE NLVNTNAGFT ARLKNLPSSP VFGSNVDNVL LTAEYQTSNR FHFKLTDQTN DATA SEQUENCE NRFEVPHEHV QSFSGNAAAS LTYQVEISRQ PFSIKVTRRS NNRVLFDSSI DATA SEQUENCE GPLLFADQFL QLSTRLPSTN VYGLGEHVHQ QYRHDMNWKT WPIFNRDTTP DATA SEQUENCE NGNGTNLYGA QTFFLCLEDA SGLSFGVFLM NSNAMEVVLQ PAPAITYRTI DATA SEQUENCE GGILDFYVFL GNTPEQVVQE YLELIGRPAL PSYWALGFHL SRYEYGTLDN DATA SEQUENCE MREVVERNRA AQLPYDVQHA DIDYMDERRD FTYDSVDFKG FPEFVNELHN DATA SEQUENCE NGQKLVIIVD PAISNNSSSS KPYGPYDRGS DMKIWVNSSD GVTPLIGEVW DATA SEQUENCE PGQTVFPDYT NPNCAVWWTK EFELFHNQVE FDGIWIDMNE VSNFVDGSVS DATA SEQUENCE GCSTNNLNNP PFTPRILDGY LFCKTLCMDA VQHWGKQYDI HNLYGYSMAV DATA SEQUENCE ATAEAAKTVF PNKRSFILTR STFAGSGKFA AHWLGDNTAT WDDLRWSIPG DATA SEQUENCE VLEFNLFGIP MVGPDIcGFA LDTPEELcRR WMQLGAFYPF SRNHNGQGYK DATA SEQUENCE DQDPASFGAD SLLLNSSRHY LNIRYTLLPY LYTLFFRAHS RGDTVARPLL DATA SEQUENCE HEFYEDNSTW DVHQQFLWGP GLLITPVLDE GAEKVMAYVP DAVWYDYETG DATA SEQUENCE SQVRWRKQKV EMELPGDKIG LHLRGGYIFP TQQPNTTTLA SRKNPLGLII DATA SEQUENCE ALDENKEAKG ELFWDDGETK DTVANKVYLL CEFSVTQNRL EVNISQSTYK DATA SEQUENCE DPNNLAFNEI KILGTEEPSN VTVKHNGVPS XTSPTVTYDS NLKVAIITDI DATA SEQUENCE DLLLGEAYTV EWAH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.061 176.094 -0.056 0.000 1.182 7 V CA 0.000 62.301 62.300 0.001 0.000 1.235 7 V CB 0.000 31.825 31.823 0.003 0.000 1.184 8 N N 2.283 120.962 118.700 -0.036 0.000 2.131 8 N HA -0.109 4.607 4.740 -0.041 0.000 0.276 8 N C 1.331 176.803 175.510 -0.063 0.000 1.295 8 N CA 1.293 54.320 53.050 -0.038 0.000 0.818 8 N CB 1.052 39.525 38.487 -0.024 0.000 1.049 8 N HN 1.099 nan 8.380 nan 0.000 0.484 9 E N 4.062 124.228 120.200 -0.056 0.000 2.204 9 E HA -0.181 4.145 4.350 -0.041 0.000 0.195 9 E C 1.458 178.122 176.600 0.106 0.000 0.990 9 E CA 0.910 57.275 56.400 -0.060 0.000 0.821 9 E CB -0.197 29.469 29.700 -0.056 0.000 0.750 9 E HN 0.658 nan 8.360 nan 0.000 0.477 10 L N 0.675 121.969 121.223 0.119 0.000 2.362 10 L HA -0.057 4.258 4.340 -0.041 0.000 0.219 10 L C 1.750 178.627 176.870 0.012 0.000 1.134 10 L CA 1.033 55.951 54.840 0.130 0.000 0.807 10 L CB -0.282 41.767 42.059 -0.016 0.000 0.927 10 L HN 0.157 nan 8.230 nan 0.000 0.447 11 E N -0.191 120.015 120.200 0.010 0.000 2.474 11 E HA 0.075 4.400 4.350 -0.041 0.000 0.195 11 E C 0.257 176.876 176.600 0.031 0.000 1.039 11 E CA -0.247 56.145 56.400 -0.013 0.000 0.881 11 E CB 0.389 30.074 29.700 -0.026 0.000 0.970 11 E HN 0.377 nan 8.360 nan 0.000 0.486 12 R N 1.318 121.843 120.500 0.043 0.000 2.489 12 R HA 0.149 4.464 4.340 -0.041 0.000 0.287 12 R C -0.173 176.253 176.300 0.210 0.000 1.053 12 R CA 0.147 56.248 56.100 0.002 0.000 1.036 12 R CB 0.739 30.855 30.300 -0.306 0.000 0.966 12 R HN -0.017 nan 8.270 nan 0.000 0.432 13 I N 3.092 123.826 120.570 0.273 0.000 2.339 13 I HA 0.081 4.226 4.170 -0.041 0.000 0.290 13 I C 0.081 176.390 176.117 0.320 0.000 0.994 13 I CA -1.012 60.477 61.300 0.315 0.000 1.191 13 I CB 1.123 39.329 38.000 0.343 0.000 1.343 13 I HN 0.546 nan 8.210 nan 0.000 0.458 14 N N 4.707 123.552 118.700 0.241 0.000 2.468 14 N HA -0.043 4.673 4.740 -0.041 0.000 0.265 14 N C 0.711 176.203 175.510 -0.030 0.000 1.199 14 N CA 0.209 53.326 53.050 0.112 0.000 0.928 14 N CB 0.789 39.342 38.487 0.110 0.000 1.059 14 N HN 0.735 nan 8.380 nan 0.000 0.467 15 c N 4.460 122.864 118.600 -0.327 0.000 2.696 15 c HA 0.418 4.963 4.570 -0.041 0.000 0.264 15 c C 0.604 174.565 174.090 -0.214 0.000 1.288 15 c CA -0.298 55.587 56.329 -0.740 0.000 1.717 15 c CB -1.197 40.745 42.510 -0.947 0.000 1.893 15 c HN 0.714 nan 8.230 nan 0.000 0.577 16 I N 2.463 123.004 120.570 -0.049 0.000 2.833 16 I HA 0.253 4.398 4.170 -0.041 0.000 0.286 16 I C -1.646 174.531 176.117 0.101 0.000 1.287 16 I CA -1.063 60.266 61.300 0.047 0.000 1.046 16 I CB 1.059 39.093 38.000 0.056 0.000 1.612 16 I HN 0.105 nan 8.210 nan 0.000 0.585 17 P HA -0.059 nan 4.420 nan 0.000 0.236 17 P C 0.411 177.892 177.300 0.301 0.000 1.177 17 P CA 1.039 64.270 63.100 0.218 0.000 0.773 17 P CB 0.260 32.100 31.700 0.232 0.000 0.878 18 D N -0.942 119.656 120.400 0.330 0.000 2.407 18 D HA 0.020 4.635 4.640 -0.041 0.000 0.208 18 D C 0.775 177.162 176.300 0.145 0.000 1.083 18 D CA 0.211 54.410 54.000 0.331 0.000 0.844 18 D CB 0.265 41.379 40.800 0.523 0.000 0.967 18 D HN 0.363 nan 8.370 nan 0.000 0.506 19 Q N -0.433 119.427 119.800 0.099 0.000 2.687 19 Q HA 0.408 4.724 4.340 -0.041 0.000 0.295 19 Q C -3.202 172.802 176.000 0.007 0.000 0.920 19 Q CA -1.589 54.238 55.803 0.041 0.000 0.766 19 Q CB 1.079 29.847 28.738 0.049 0.000 1.467 19 Q HN -0.250 nan 8.270 nan 0.000 0.415 20 P HA 0.182 nan 4.420 nan 0.000 0.268 20 P C -2.399 174.909 177.300 0.012 0.000 1.204 20 P CA -0.764 62.307 63.100 -0.047 0.000 0.768 20 P CB -0.180 31.492 31.700 -0.047 0.000 0.842 21 P HA 0.068 nan 4.420 nan 0.000 0.271 21 P C -0.248 177.284 177.300 0.387 0.000 1.226 21 P CA 0.361 63.596 63.100 0.225 0.000 0.765 21 P CB 0.320 32.166 31.700 0.243 0.000 0.835 22 T N -0.983 113.702 114.554 0.219 0.000 2.907 22 T HA 0.307 4.633 4.350 -0.041 0.000 0.292 22 T C 0.987 175.331 174.700 -0.594 0.000 1.043 22 T CA -0.959 61.111 62.100 -0.050 0.000 1.003 22 T CB 2.315 71.141 68.868 -0.069 0.000 1.084 22 T HN 0.281 nan 8.240 nan 0.000 0.483 23 K N 0.879 120.504 120.400 -1.291 0.000 2.103 23 K HA -0.089 4.206 4.320 -0.041 0.000 0.207 23 K C 2.314 178.553 176.600 -0.602 0.000 1.048 23 K CA 1.441 56.866 56.287 -1.437 0.000 0.930 23 K CB -0.704 30.927 32.500 -1.448 0.000 0.716 23 K HN 0.745 nan 8.250 nan 0.000 0.444 24 A N 0.447 123.033 122.820 -0.390 0.000 1.877 24 A HA -0.147 4.148 4.320 -0.041 0.000 0.216 24 A C 2.188 179.668 177.584 -0.175 0.000 1.186 24 A CA 2.212 54.111 52.037 -0.230 0.000 0.620 24 A CB -1.020 17.884 19.000 -0.160 0.000 0.822 24 A HN 0.400 nan 8.150 nan 0.000 0.443 25 T N -1.095 113.369 114.554 -0.151 0.000 2.777 25 T HA -0.183 4.142 4.350 -0.041 0.000 0.266 25 T C 1.959 176.604 174.700 -0.093 0.000 1.040 25 T CA 1.353 63.393 62.100 -0.100 0.000 1.141 25 T CB -0.791 68.041 68.868 -0.060 0.000 0.868 25 T HN 0.635 nan 8.240 nan 0.000 0.444 26 C N 1.861 121.100 119.300 -0.101 0.000 2.413 26 C HA -0.155 4.281 4.460 -0.041 0.000 0.277 26 C C 2.412 177.361 174.990 -0.069 0.000 1.228 26 C CA 1.203 60.195 59.018 -0.043 0.000 1.731 26 C CB -1.172 26.600 27.740 0.053 0.000 2.042 26 C HN 0.502 nan 8.230 nan 0.000 0.468 27 D N -0.250 120.079 120.400 -0.120 0.000 2.097 27 D HA -0.154 4.461 4.640 -0.041 0.000 0.195 27 D C 2.110 178.368 176.300 -0.070 0.000 0.989 27 D CA 1.667 55.609 54.000 -0.095 0.000 0.827 27 D CB -0.775 39.950 40.800 -0.125 0.000 0.966 27 D HN 0.632 nan 8.370 nan 0.000 0.456 28 Q N 0.834 120.587 119.800 -0.080 0.000 2.181 28 Q HA -0.083 4.232 4.340 -0.041 0.000 0.205 28 Q C 1.591 177.561 176.000 -0.051 0.000 0.980 28 Q CA 1.401 57.164 55.803 -0.067 0.000 0.862 28 Q CB 0.030 28.722 28.738 -0.077 0.000 0.905 28 Q HN 0.170 nan 8.270 nan 0.000 0.429 29 R N -1.412 119.064 120.500 -0.040 0.000 2.317 29 R HA 0.222 4.538 4.340 -0.041 0.000 0.208 29 R C 0.717 177.068 176.300 0.085 0.000 0.914 29 R CA 0.520 56.623 56.100 0.005 0.000 1.060 29 R CB 0.304 30.589 30.300 -0.025 0.000 1.015 29 R HN 0.374 nan 8.270 nan 0.000 0.498 30 G N 1.122 109.944 108.800 0.037 0.000 2.176 30 G HA2 -0.289 3.646 3.960 -0.041 0.000 0.252 30 G HA3 -0.289 3.646 3.960 -0.041 0.000 0.252 30 G C 0.182 175.144 174.900 0.103 0.000 1.024 30 G CA 0.081 45.215 45.100 0.058 0.000 0.755 30 G HN 0.337 nan 8.290 nan 0.000 0.507 31 c N -0.973 117.646 118.600 0.031 0.000 2.484 31 c HA 0.778 5.323 4.570 -0.041 0.000 0.409 31 c C 1.327 175.347 174.090 -0.116 0.000 1.434 31 c CA -0.499 55.800 56.329 -0.049 0.000 1.913 31 c CB 1.283 43.696 42.510 -0.161 0.000 2.028 31 c HN 0.678 nan 8.230 nan 0.000 0.516 32 C N 1.367 120.470 119.300 -0.328 0.000 2.365 32 C HA 0.501 4.936 4.460 -0.041 0.000 0.351 32 C C -0.314 174.492 174.990 -0.307 0.000 1.240 32 C CA -0.573 58.173 59.018 -0.453 0.000 2.062 32 C CB -0.052 27.066 27.740 -1.037 0.000 2.387 32 C HN 0.853 nan 8.230 nan 0.000 0.537 33 W N 4.962 126.116 121.300 -0.243 0.000 2.471 33 W HA 0.422 5.057 4.660 -0.042 0.000 0.318 33 W C -0.709 175.804 176.519 -0.010 0.000 1.034 33 W CA -0.147 57.145 57.345 -0.089 0.000 1.224 33 W CB 1.069 30.487 29.460 -0.070 0.000 1.335 33 W HN 0.736 nan 8.180 nan 0.000 0.452 34 N N 7.673 126.057 118.700 -0.528 0.000 2.827 34 N HA 0.202 4.918 4.740 -0.041 0.000 0.240 34 N C -2.394 172.657 175.510 -0.765 0.000 1.352 34 N CA -1.392 51.380 53.050 -0.463 0.000 0.760 34 N CB 1.482 39.936 38.487 -0.055 0.000 1.426 34 N HN 0.054 nan 8.380 nan 0.000 0.561 35 P HA -0.010 nan 4.420 nan 0.000 0.234 35 P C 0.535 177.194 177.300 -1.067 0.000 1.167 35 P CA 0.814 62.847 63.100 -1.779 0.000 0.763 35 P CB 0.326 30.885 31.700 -1.902 0.000 0.835 36 Q N -0.310 119.145 119.800 -0.575 0.000 2.387 36 Q HA 0.161 4.476 4.340 -0.041 0.000 0.211 36 Q C 1.159 177.037 176.000 -0.203 0.000 0.952 36 Q CA 0.203 55.808 55.803 -0.330 0.000 0.957 36 Q CB -0.676 27.929 28.738 -0.222 0.000 1.002 36 Q HN 0.156 nan 8.270 nan 0.000 0.502 37 G N 0.701 109.389 108.800 -0.186 0.000 2.611 37 G HA2 0.434 4.369 3.960 -0.041 0.000 0.273 37 G HA3 0.434 4.369 3.960 -0.041 0.000 0.273 37 G C -0.242 174.637 174.900 -0.036 0.000 1.305 37 G CA -0.002 45.045 45.100 -0.089 0.000 1.010 37 G HN 0.356 nan 8.290 nan 0.000 0.509 38 A N -1.386 121.412 122.820 -0.038 0.000 2.259 38 A HA 0.531 4.826 4.320 -0.041 0.000 0.278 38 A C 0.662 178.205 177.584 -0.068 0.000 1.107 38 A CA -0.266 51.755 52.037 -0.026 0.000 0.828 38 A CB 0.557 19.557 19.000 0.001 0.000 1.111 38 A HN 1.521 nan 8.150 nan 0.000 0.498 39 V N 0.961 120.838 119.914 -0.060 0.000 2.644 39 V HA 0.229 4.324 4.120 -0.041 0.000 0.305 39 V C 0.925 176.851 176.094 -0.280 0.000 1.053 39 V CA 1.920 64.150 62.300 -0.116 0.000 1.186 39 V CB 0.045 31.828 31.823 -0.066 0.000 0.895 39 V HN 1.621 nan 8.190 nan 0.000 0.490 40 S N 1.547 117.012 115.700 -0.391 0.000 2.524 40 S HA -0.178 4.267 4.470 -0.041 0.000 0.254 40 S C 0.212 174.087 174.600 -1.209 0.000 1.258 40 S CA 0.869 58.687 58.200 -0.638 0.000 1.448 40 S CB -1.830 61.082 63.200 -0.480 0.000 1.806 40 S HN 1.081 nan 8.310 nan 0.000 0.630 41 V N 4.834 124.120 119.914 -1.048 0.000 2.493 41 V HA 0.196 4.292 4.120 -0.041 0.000 0.292 41 V C -1.581 174.167 176.094 -0.576 0.000 1.016 41 V CA -0.938 60.748 62.300 -1.023 0.000 1.097 41 V CB 0.024 31.595 31.823 -0.420 0.000 0.947 41 V HN 0.190 nan 8.190 nan 0.000 0.479 42 P HA 0.017 nan 4.420 nan 0.000 0.267 42 P C 0.038 177.363 177.300 0.042 0.000 1.205 42 P CA -0.111 62.864 63.100 -0.209 0.000 0.765 42 P CB 0.550 32.204 31.700 -0.077 0.000 0.828 43 W N 2.277 123.429 121.300 -0.246 0.000 2.402 43 W HA 0.010 4.646 4.660 -0.040 0.000 0.286 43 W C 1.019 177.375 176.519 -0.271 0.000 1.221 43 W CA -0.002 57.092 57.345 -0.417 0.000 1.257 43 W CB -0.709 28.369 29.460 -0.635 0.000 1.120 43 W HN 0.265 nan 8.180 nan 0.000 0.551 44 C N 1.479 120.905 119.300 0.209 0.000 2.340 44 C HA 0.656 5.092 4.460 -0.041 0.000 0.323 44 C C -0.628 174.433 174.990 0.118 0.000 1.260 44 C CA -0.875 58.265 59.018 0.203 0.000 1.464 44 C CB -1.111 26.806 27.740 0.295 0.000 2.156 44 C HN 0.218 nan 8.230 nan 0.000 0.476 45 Y N 2.852 123.122 120.300 -0.048 0.000 2.588 45 Y HA 0.708 5.233 4.550 -0.041 0.000 0.343 45 Y C -1.192 174.650 175.900 -0.097 0.000 1.065 45 Y CA -1.539 56.504 58.100 -0.095 0.000 1.038 45 Y CB 0.338 38.805 38.460 0.012 0.000 1.297 45 Y HN 0.578 nan 8.280 nan 0.000 0.467 46 Y N 1.857 122.232 120.300 0.125 0.000 2.497 46 Y HA 0.274 4.799 4.550 -0.042 0.000 0.334 46 Y C 1.128 177.053 175.900 0.042 0.000 1.199 46 Y CA 0.374 58.468 58.100 -0.009 0.000 1.425 46 Y CB 0.749 39.170 38.460 -0.064 0.000 1.291 46 Y HN 0.784 nan 8.280 nan 0.000 0.562 47 S N 1.758 117.576 115.700 0.197 0.000 2.624 47 S HA 0.193 4.639 4.470 -0.041 0.000 0.263 47 S C 0.879 175.600 174.600 0.201 0.000 1.287 47 S CA -0.868 57.428 58.200 0.161 0.000 0.990 47 S CB 0.971 64.254 63.200 0.139 0.000 0.950 47 S HN 0.744 nan 8.310 nan 0.000 0.561 48 K N 0.379 120.874 120.400 0.158 0.000 2.442 48 K HA 0.065 4.360 4.320 -0.041 0.000 0.198 48 K C 0.043 176.721 176.600 0.130 0.000 1.044 48 K CA 0.652 57.020 56.287 0.135 0.000 0.948 48 K CB -0.124 32.438 32.500 0.103 0.000 0.762 48 K HN 0.472 nan 8.250 nan 0.000 0.472 49 N N -0.694 118.096 118.700 0.151 0.000 2.655 49 N HA 0.043 4.759 4.740 -0.041 0.000 0.277 49 N C -1.122 174.494 175.510 0.178 0.000 1.177 49 N CA -0.091 53.043 53.050 0.140 0.000 0.882 49 N CB 1.156 39.694 38.487 0.085 0.000 1.481 49 N HN 0.085 nan 8.380 nan 0.000 0.547 50 H N 0.684 119.804 119.070 0.084 0.000 3.051 50 H HA 0.201 4.732 4.556 -0.041 0.000 0.218 50 H C 1.100 176.459 175.328 0.052 0.000 0.898 50 H CA 0.958 57.054 56.048 0.080 0.000 0.989 50 H CB 0.490 30.325 29.762 0.122 0.000 1.343 50 H HN 0.441 nan 8.280 nan 0.000 0.499 51 S N -0.960 114.874 115.700 0.223 0.000 3.171 51 S HA 0.248 4.694 4.470 -0.041 0.000 0.170 51 S C -0.209 174.415 174.600 0.041 0.000 0.773 51 S CA -0.422 57.909 58.200 0.219 0.000 1.114 51 S CB 0.233 63.657 63.200 0.374 0.000 0.657 51 S HN 0.167 nan 8.310 nan 0.000 0.624 52 Y N 1.870 122.284 120.300 0.189 0.000 2.487 52 Y HA 0.643 5.169 4.550 -0.041 0.000 0.337 52 Y C 0.118 176.144 175.900 0.210 0.000 1.076 52 Y CA -0.690 57.484 58.100 0.124 0.000 1.115 52 Y CB 1.536 40.009 38.460 0.022 0.000 1.235 52 Y HN 0.808 nan 8.280 nan 0.000 0.468 53 H N -1.815 117.386 119.070 0.218 0.000 2.747 53 H HA 0.730 5.262 4.556 -0.041 0.000 0.371 53 H C -1.497 173.929 175.328 0.163 0.000 1.161 53 H CA -1.338 54.823 56.048 0.189 0.000 1.167 53 H CB 0.694 30.518 29.762 0.105 0.000 1.732 53 H HN 0.359 nan 8.280 nan 0.000 0.544 54 V N 1.855 121.887 119.914 0.196 0.000 2.572 54 V HA 0.025 4.121 4.120 -0.041 0.000 0.291 54 V C 0.402 176.554 176.094 0.097 0.000 1.039 54 V CA 0.083 62.445 62.300 0.104 0.000 1.055 54 V CB 0.511 32.434 31.823 0.167 0.000 0.969 54 V HN 0.853 nan 8.190 nan 0.000 0.482 55 E N 4.184 124.381 120.200 -0.005 0.000 2.081 55 E HA 0.554 4.879 4.350 -0.041 0.000 0.276 55 E C 0.428 177.055 176.600 0.045 0.000 0.950 55 E CA 0.806 57.228 56.400 0.037 0.000 0.776 55 E CB 0.748 30.429 29.700 -0.033 0.000 1.094 55 E HN 1.015 nan 8.360 nan 0.000 0.402 56 G N 4.179 113.018 108.800 0.065 0.000 2.553 56 G HA2 -0.275 3.660 3.960 -0.041 0.000 0.242 56 G HA3 -0.275 3.660 3.960 -0.041 0.000 0.242 56 G C -0.519 174.404 174.900 0.040 0.000 1.277 56 G CA -0.308 44.819 45.100 0.045 0.000 0.910 56 G HN 0.621 nan 8.290 nan 0.000 0.576 57 N N -0.069 118.649 118.700 0.030 0.000 2.509 57 N HA 0.570 5.285 4.740 -0.041 0.000 0.287 57 N C 0.232 175.761 175.510 0.032 0.000 1.121 57 N CA -0.636 52.428 53.050 0.024 0.000 0.977 57 N CB 1.127 39.625 38.487 0.018 0.000 1.167 57 N HN 0.487 nan 8.380 nan 0.000 0.476 58 L N 0.993 122.228 121.223 0.021 0.000 2.456 58 L HA 0.135 4.450 4.340 -0.041 0.000 0.272 58 L C -0.011 176.896 176.870 0.063 0.000 1.189 58 L CA 0.119 54.985 54.840 0.044 0.000 0.846 58 L CB 0.378 42.400 42.059 -0.063 0.000 1.111 58 L HN 0.217 nan 8.230 nan 0.000 0.475 59 V N 3.672 123.658 119.914 0.120 0.000 2.384 59 V HA 0.337 4.433 4.120 -0.041 0.000 0.287 59 V C 0.227 176.425 176.094 0.173 0.000 1.020 59 V CA -1.125 61.243 62.300 0.112 0.000 0.850 59 V CB 1.311 33.187 31.823 0.088 0.000 0.987 59 V HN 0.681 nan 8.190 nan 0.000 0.436 60 N N 3.261 122.050 118.700 0.148 0.000 2.458 60 N HA 0.205 4.921 4.740 -0.041 0.000 0.258 60 N C 0.251 175.852 175.510 0.151 0.000 1.219 60 N CA 0.272 53.431 53.050 0.181 0.000 0.902 60 N CB 1.431 39.998 38.487 0.132 0.000 1.076 60 N HN 0.899 nan 8.380 nan 0.000 0.455 61 T N -1.595 113.063 114.554 0.173 0.000 2.907 61 T HA 0.297 4.622 4.350 -0.041 0.000 0.290 61 T C 0.971 175.758 174.700 0.145 0.000 1.066 61 T CA -0.867 61.309 62.100 0.128 0.000 1.012 61 T CB 1.195 70.126 68.868 0.105 0.000 1.184 61 T HN 0.363 nan 8.240 nan 0.000 0.522 62 N N 0.116 118.887 118.700 0.118 0.000 2.137 62 N HA -0.119 4.596 4.740 -0.041 0.000 0.190 62 N C 1.961 177.592 175.510 0.201 0.000 1.017 62 N CA 1.247 54.373 53.050 0.127 0.000 0.859 62 N CB -0.201 38.334 38.487 0.080 0.000 1.002 62 N HN 0.750 nan 8.380 nan 0.000 0.428 63 A N -0.504 122.460 122.820 0.240 0.000 2.081 63 A HA 0.407 4.703 4.320 -0.041 0.000 0.214 63 A C 1.361 179.137 177.584 0.320 0.000 1.158 63 A CA 1.306 53.566 52.037 0.370 0.000 0.724 63 A CB 0.126 19.383 19.000 0.427 0.000 0.826 63 A HN 0.431 nan 8.150 nan 0.000 0.463 64 G N -1.554 107.410 108.800 0.274 0.000 2.483 64 G HA2 0.397 4.332 3.960 -0.041 0.000 0.090 64 G HA3 0.397 4.332 3.960 -0.041 0.000 0.090 64 G C -0.462 174.652 174.900 0.357 0.000 0.984 64 G CA 0.091 45.391 45.100 0.334 0.000 1.325 64 G HN 1.039 nan 8.290 nan 0.000 0.561 65 F N 0.028 120.035 119.950 0.094 0.000 2.713 65 F HA 0.806 5.308 4.527 -0.041 0.000 0.311 65 F C -0.468 175.346 175.800 0.024 0.000 1.141 65 F CA -0.387 57.658 58.000 0.075 0.000 0.939 65 F CB 1.466 40.524 39.000 0.097 0.000 1.325 65 F HN 0.696 nan 8.300 nan 0.000 0.453 66 T N -0.329 114.370 114.554 0.242 0.000 2.924 66 T HA 0.941 5.266 4.350 -0.041 0.000 0.291 66 T C -0.895 173.946 174.700 0.236 0.000 1.045 66 T CA -0.476 61.704 62.100 0.134 0.000 1.015 66 T CB 1.676 70.564 68.868 0.034 0.000 1.103 66 T HN 1.559 nan 8.240 nan 0.000 0.496 67 A N 1.581 124.490 122.820 0.149 0.000 2.475 67 A HA 0.805 5.100 4.320 -0.041 0.000 0.301 67 A C -0.405 177.172 177.584 -0.011 0.000 1.059 67 A CA -1.135 50.962 52.037 0.101 0.000 0.710 67 A CB 1.590 20.685 19.000 0.158 0.000 1.288 67 A HN 1.030 nan 8.150 nan 0.000 0.408 68 R N 2.477 122.962 120.500 -0.025 0.000 2.265 68 R HA 0.624 4.939 4.340 -0.041 0.000 0.319 68 R C -1.474 174.760 176.300 -0.110 0.000 1.006 68 R CA -0.379 55.676 56.100 -0.075 0.000 0.880 68 R CB 0.367 30.637 30.300 -0.050 0.000 1.077 68 R HN 0.680 nan 8.270 nan 0.000 0.454 69 L N 4.207 125.326 121.223 -0.173 0.000 2.317 69 L HA 0.504 4.820 4.340 -0.041 0.000 0.281 69 L C -0.160 176.664 176.870 -0.077 0.000 1.024 69 L CA -0.806 53.930 54.840 -0.173 0.000 0.810 69 L CB 1.727 43.582 42.059 -0.341 0.000 1.240 69 L HN 0.592 nan 8.230 nan 0.000 0.427 70 K N 2.139 122.426 120.400 -0.190 0.000 2.292 70 K HA 0.265 4.561 4.320 -0.041 0.000 0.257 70 K C -0.543 175.916 176.600 -0.236 0.000 0.940 70 K CA -0.798 55.360 56.287 -0.215 0.000 0.811 70 K CB 1.599 33.886 32.500 -0.356 0.000 1.120 70 K HN 0.459 nan 8.250 nan 0.000 0.428 71 N N 3.803 122.338 118.700 -0.274 0.000 2.452 71 N HA 0.053 4.768 4.740 -0.041 0.000 0.266 71 N C -0.829 174.530 175.510 -0.252 0.000 1.209 71 N CA 0.035 52.710 53.050 -0.626 0.000 0.929 71 N CB 0.285 38.471 38.487 -0.503 0.000 1.063 71 N HN 0.463 nan 8.380 nan 0.000 0.472 72 L N 5.341 126.449 121.223 -0.192 0.000 2.410 72 L HA 0.297 4.612 4.340 -0.041 0.000 0.273 72 L C -1.686 175.104 176.870 -0.134 0.000 1.152 72 L CA -1.791 53.020 54.840 -0.049 0.000 0.855 72 L CB 0.491 42.553 42.059 0.006 0.000 1.129 72 L HN 0.505 nan 8.230 nan 0.000 0.463 73 P HA -0.025 nan 4.420 nan 0.000 0.261 73 P C -0.674 176.539 177.300 -0.144 0.000 1.173 73 P CA 0.394 63.433 63.100 -0.102 0.000 0.760 73 P CB 0.710 32.368 31.700 -0.070 0.000 0.783 74 S N 1.358 116.974 115.700 -0.139 0.000 2.537 74 S HA 0.478 4.924 4.470 -0.041 0.000 0.271 74 S C -0.785 173.757 174.600 -0.098 0.000 1.148 74 S CA -0.669 57.424 58.200 -0.177 0.000 0.868 74 S CB 0.750 63.814 63.200 -0.227 0.000 1.115 74 S HN 0.416 nan 8.310 nan 0.000 0.461 75 S N 3.367 119.018 115.700 -0.081 0.000 2.562 75 S HA 0.446 4.891 4.470 -0.041 0.000 0.281 75 S C -2.568 172.005 174.600 -0.045 0.000 1.333 75 S CA -0.704 57.464 58.200 -0.054 0.000 1.052 75 S CB 0.295 63.465 63.200 -0.049 0.000 0.884 75 S HN 0.549 nan 8.310 nan 0.000 0.506 76 P HA 0.312 nan 4.420 nan 0.000 0.226 76 P C 0.665 177.890 177.300 -0.124 0.000 1.832 76 P CA -0.622 62.450 63.100 -0.047 0.000 1.092 76 P CB 0.575 32.263 31.700 -0.020 0.000 1.873 77 V N 1.216 120.985 119.914 -0.240 0.000 2.244 77 V HA -0.140 3.955 4.120 -0.041 0.000 0.244 77 V C 1.203 176.876 176.094 -0.702 0.000 1.042 77 V CA 1.804 63.762 62.300 -0.569 0.000 1.006 77 V CB -0.975 30.322 31.823 -0.877 0.000 0.641 77 V HN 0.278 nan 8.190 nan 0.000 0.446 78 F N 0.158 120.043 119.950 -0.107 0.000 2.923 78 F HA 0.604 5.107 4.527 -0.041 0.000 0.314 78 F C 1.208 177.036 175.800 0.047 0.000 1.196 78 F CA 0.350 58.316 58.000 -0.056 0.000 1.320 78 F CB 0.161 39.046 39.000 -0.192 0.000 0.953 78 F HN 0.308 nan 8.300 nan 0.000 0.505 79 G N -0.007 108.858 108.800 0.109 0.000 2.512 79 G HA2 -0.272 3.663 3.960 -0.041 0.000 0.240 79 G HA3 -0.272 3.663 3.960 -0.041 0.000 0.240 79 G C 0.045 175.018 174.900 0.122 0.000 1.246 79 G CA -0.489 44.675 45.100 0.106 0.000 0.919 79 G HN 0.156 nan 8.290 nan 0.000 0.577 80 S N 2.123 117.898 115.700 0.125 0.000 2.945 80 S HA 0.087 4.532 4.470 -0.041 0.000 0.344 80 S C 0.891 175.591 174.600 0.167 0.000 1.066 80 S CA 0.386 58.659 58.200 0.122 0.000 1.721 80 S CB -0.661 62.605 63.200 0.110 0.000 1.330 80 S HN 0.707 nan 8.310 nan 0.000 0.623 81 N N 1.925 120.717 118.700 0.154 0.000 2.453 81 N HA 0.090 4.805 4.740 -0.041 0.000 0.253 81 N C -0.607 175.011 175.510 0.180 0.000 1.252 81 N CA -0.002 53.165 53.050 0.195 0.000 0.917 81 N CB 0.794 39.364 38.487 0.139 0.000 1.117 81 N HN 0.206 nan 8.380 nan 0.000 0.442 82 V N 3.531 123.590 119.914 0.243 0.000 2.328 82 V HA 0.102 4.198 4.120 -0.041 0.000 0.278 82 V C 0.682 176.847 176.094 0.120 0.000 1.021 82 V CA -0.565 61.809 62.300 0.124 0.000 0.838 82 V CB 1.311 33.117 31.823 -0.028 0.000 0.999 82 V HN 0.649 nan 8.190 nan 0.000 0.447 83 D N 3.258 123.686 120.400 0.047 0.000 2.123 83 D HA -0.032 4.584 4.640 -0.041 0.000 0.200 83 D C 0.453 176.771 176.300 0.030 0.000 0.976 83 D CA 1.381 55.394 54.000 0.023 0.000 0.831 83 D CB 0.234 41.031 40.800 -0.005 0.000 0.974 83 D HN 0.568 nan 8.370 nan 0.000 0.469 84 N N -0.194 118.494 118.700 -0.021 0.000 2.483 84 N HA 0.343 5.058 4.740 -0.041 0.000 0.267 84 N C -1.249 174.164 175.510 -0.163 0.000 0.998 84 N CA -0.302 52.710 53.050 -0.063 0.000 0.918 84 N CB 2.815 41.262 38.487 -0.066 0.000 1.215 84 N HN -0.255 nan 8.380 nan 0.000 0.500 85 V N 2.497 122.279 119.914 -0.219 0.000 2.483 85 V HA 0.443 4.538 4.120 -0.041 0.000 0.295 85 V C -0.534 175.374 176.094 -0.310 0.000 1.035 85 V CA -0.820 61.227 62.300 -0.423 0.000 0.896 85 V CB 1.702 33.097 31.823 -0.713 0.000 0.986 85 V HN 0.463 nan 8.190 nan 0.000 0.447 86 L N 5.466 126.524 121.223 -0.275 0.000 2.296 86 L HA 0.637 4.952 4.340 -0.041 0.000 0.286 86 L C -0.767 175.988 176.870 -0.193 0.000 1.023 86 L CA -0.260 54.466 54.840 -0.190 0.000 0.812 86 L CB 1.460 43.436 42.059 -0.137 0.000 1.223 86 L HN 0.623 nan 8.230 nan 0.000 0.421 87 L N 4.856 125.978 121.223 -0.169 0.000 2.275 87 L HA 0.610 4.925 4.340 -0.041 0.000 0.288 87 L C -0.524 176.265 176.870 -0.134 0.000 1.046 87 L CA 0.509 55.271 54.840 -0.130 0.000 0.805 87 L CB 1.322 43.330 42.059 -0.085 0.000 1.193 87 L HN 0.717 nan 8.230 nan 0.000 0.426 88 T N 5.113 119.544 114.554 -0.206 0.000 2.809 88 T HA 0.817 5.142 4.350 -0.041 0.000 0.284 88 T C -0.571 173.845 174.700 -0.473 0.000 0.992 88 T CA -0.360 61.568 62.100 -0.287 0.000 0.957 88 T CB 1.368 70.095 68.868 -0.235 0.000 0.942 88 T HN 0.807 nan 8.240 nan 0.000 0.439 89 A N 3.472 125.886 122.820 -0.677 0.000 2.355 89 A HA 0.778 5.074 4.320 -0.041 0.000 0.317 89 A C -0.572 176.574 177.584 -0.729 0.000 1.094 89 A CA -0.811 50.691 52.037 -0.892 0.000 0.764 89 A CB 1.042 19.208 19.000 -1.390 0.000 1.230 89 A HN 0.800 nan 8.150 nan 0.000 0.448 90 E N 1.142 120.910 120.200 -0.721 0.000 2.241 90 E HA 0.308 4.633 4.350 -0.041 0.000 0.263 90 E C -1.830 174.567 176.600 -0.338 0.000 0.882 90 E CA -0.408 55.739 56.400 -0.422 0.000 0.769 90 E CB 1.681 31.177 29.700 -0.340 0.000 1.185 90 E HN 0.619 nan 8.360 nan 0.000 0.415 91 Y N 2.801 123.158 120.300 0.095 0.000 2.570 91 Y HA 0.031 4.556 4.550 -0.041 0.000 0.336 91 Y C 1.465 177.380 175.900 0.026 0.000 1.284 91 Y CA 0.040 58.294 58.100 0.257 0.000 1.761 91 Y CB -0.091 38.521 38.460 0.254 0.000 1.724 91 Y HN 0.533 nan 8.280 nan 0.000 0.455 92 Q N 0.772 120.527 119.800 -0.075 0.000 2.079 92 Q HA -0.072 4.243 4.340 -0.041 0.000 0.200 92 Q C 0.868 176.884 176.000 0.027 0.000 0.974 92 Q CA 1.597 57.158 55.803 -0.404 0.000 0.840 92 Q CB 0.191 28.650 28.738 -0.465 0.000 0.898 92 Q HN 0.664 nan 8.270 nan 0.000 0.430 93 T N -5.219 109.443 114.554 0.181 0.000 2.787 93 T HA 0.281 4.606 4.350 -0.041 0.000 0.297 93 T C 0.540 175.409 174.700 0.281 0.000 1.221 93 T CA -0.505 61.723 62.100 0.213 0.000 1.006 93 T CB 1.417 70.398 68.868 0.189 0.000 1.328 93 T HN -0.146 nan 8.240 nan 0.000 0.509 94 S N 0.556 116.376 115.700 0.200 0.000 2.419 94 S HA -0.045 4.401 4.470 -0.041 0.000 0.235 94 S C 1.324 176.114 174.600 0.317 0.000 1.019 94 S CA 1.030 59.330 58.200 0.167 0.000 0.982 94 S CB -0.467 62.791 63.200 0.097 0.000 0.789 94 S HN 0.722 nan 8.310 nan 0.000 0.490 95 N N 0.211 119.118 118.700 0.345 0.000 2.177 95 N HA 0.147 4.862 4.740 -0.041 0.000 0.218 95 N C 0.078 175.793 175.510 0.340 0.000 1.182 95 N CA 0.006 53.273 53.050 0.362 0.000 0.882 95 N CB 0.898 39.535 38.487 0.251 0.000 1.052 95 N HN 0.219 nan 8.380 nan 0.000 0.519 96 R N 0.784 121.485 120.500 0.336 0.000 2.515 96 R HA 0.258 4.574 4.340 -0.041 0.000 0.291 96 R C -1.949 174.401 176.300 0.083 0.000 1.046 96 R CA -0.487 55.703 56.100 0.151 0.000 0.914 96 R CB 1.162 31.601 30.300 0.231 0.000 1.191 96 R HN -0.167 nan 8.270 nan 0.000 0.435 97 F N 3.488 123.216 119.950 -0.371 0.000 2.480 97 F HA 0.452 4.955 4.527 -0.041 0.000 0.329 97 F C -1.028 174.610 175.800 -0.270 0.000 1.091 97 F CA -0.741 57.036 58.000 -0.372 0.000 0.972 97 F CB 1.340 39.918 39.000 -0.703 0.000 1.150 97 F HN 0.653 nan 8.300 nan 0.000 0.467 98 H N 6.201 124.555 119.070 -1.193 0.000 2.609 98 H HA 0.528 5.059 4.556 -0.041 0.000 0.344 98 H C -1.741 172.768 175.328 -1.364 0.000 1.040 98 H CA -1.140 54.179 56.048 -1.214 0.000 1.216 98 H CB 1.031 30.231 29.762 -0.937 0.000 1.529 98 H HN 0.506 nan 8.280 nan 0.000 0.519 99 F N 2.900 121.979 119.950 -1.452 0.000 2.576 99 F HA 0.650 5.153 4.527 -0.040 0.000 0.313 99 F C -1.541 173.766 175.800 -0.822 0.000 1.078 99 F CA -1.071 56.249 58.000 -1.134 0.000 0.921 99 F CB 1.654 40.213 39.000 -0.735 0.000 1.232 99 F HN 0.569 nan 8.300 nan 0.000 0.459 100 K N 3.427 123.511 120.400 -0.527 0.000 2.464 100 K HA 0.762 5.058 4.320 -0.041 0.000 0.253 100 K C -2.279 174.249 176.600 -0.119 0.000 0.933 100 K CA -0.887 55.180 56.287 -0.366 0.000 0.801 100 K CB 2.640 34.893 32.500 -0.412 0.000 1.271 100 K HN 0.915 nan 8.250 nan 0.000 0.430 101 L N 2.698 123.913 121.223 -0.013 0.000 2.325 101 L HA 0.473 4.788 4.340 -0.041 0.000 0.281 101 L C -0.351 176.609 176.870 0.149 0.000 1.004 101 L CA -0.455 54.423 54.840 0.062 0.000 0.823 101 L CB 2.039 44.216 42.059 0.197 0.000 1.236 101 L HN 1.004 nan 8.230 nan 0.000 0.415 102 T N -2.478 112.059 114.554 -0.029 0.000 2.888 102 T HA 0.359 4.684 4.350 -0.041 0.000 0.288 102 T C -0.806 173.726 174.700 -0.279 0.000 1.063 102 T CA -0.885 61.205 62.100 -0.016 0.000 1.010 102 T CB 2.140 70.982 68.868 -0.042 0.000 1.214 102 T HN 0.325 nan 8.240 nan 0.000 0.533 103 D N 0.416 120.696 120.400 -0.201 0.000 2.325 103 D HA 0.123 4.738 4.640 -0.041 0.000 0.251 103 D C 1.070 177.278 176.300 -0.152 0.000 1.196 103 D CA -0.047 53.800 54.000 -0.255 0.000 0.866 103 D CB 1.513 42.250 40.800 -0.104 0.000 1.101 103 D HN 0.679 nan 8.370 nan 0.000 0.476 104 Q N 2.005 121.704 119.800 -0.168 0.000 2.181 104 Q HA -0.177 4.138 4.340 -0.041 0.000 0.205 104 Q C 1.359 177.317 176.000 -0.071 0.000 0.980 104 Q CA 1.814 57.550 55.803 -0.112 0.000 0.862 104 Q CB 0.269 28.941 28.738 -0.109 0.000 0.905 104 Q HN 0.646 nan 8.270 nan 0.000 0.429 105 T N -3.921 110.596 114.554 -0.062 0.000 3.023 105 T HA 0.218 4.543 4.350 -0.041 0.000 0.253 105 T C -0.092 174.597 174.700 -0.019 0.000 1.038 105 T CA -0.258 61.821 62.100 -0.035 0.000 0.962 105 T CB 0.237 69.089 68.868 -0.028 0.000 1.018 105 T HN 0.080 nan 8.240 nan 0.000 0.521 106 N N 0.823 119.513 118.700 -0.017 0.000 2.235 106 N HA 0.409 5.124 4.740 -0.041 0.000 0.293 106 N C -1.704 173.814 175.510 0.012 0.000 1.083 106 N CA -0.822 52.231 53.050 0.006 0.000 0.801 106 N CB 1.360 39.861 38.487 0.025 0.000 1.559 106 N HN 0.173 nan 8.380 nan 0.000 0.472 107 N N 0.974 119.683 118.700 0.016 0.000 2.483 107 N HA 0.190 4.906 4.740 -0.041 0.000 0.264 107 N C -0.533 175.008 175.510 0.051 0.000 1.197 107 N CA 0.190 53.251 53.050 0.019 0.000 0.927 107 N CB 0.830 39.323 38.487 0.010 0.000 1.065 107 N HN 0.254 nan 8.380 nan 0.000 0.461 108 R N 0.979 121.515 120.500 0.060 0.000 2.919 108 R HA 0.353 4.668 4.340 -0.041 0.000 0.260 108 R C -0.802 175.557 176.300 0.099 0.000 1.067 108 R CA -0.970 55.199 56.100 0.114 0.000 1.003 108 R CB 1.192 31.588 30.300 0.160 0.000 1.192 108 R HN 0.434 nan 8.270 nan 0.000 0.488 109 F N 1.733 121.707 119.950 0.040 0.000 2.538 109 F HA 0.066 4.570 4.527 -0.037 0.000 0.371 109 F C -0.277 175.518 175.800 -0.009 0.000 1.087 109 F CA 0.568 58.580 58.000 0.021 0.000 1.250 109 F CB 0.524 39.554 39.000 0.050 0.000 1.110 109 F HN 0.313 nan 8.300 nan 0.000 0.570 110 E N 4.506 124.106 120.200 -1.000 0.000 2.266 110 E HA 0.334 4.659 4.350 -0.041 0.000 0.268 110 E C -1.121 174.820 176.600 -1.099 0.000 0.879 110 E CA -1.267 54.686 56.400 -0.745 0.000 0.762 110 E CB 2.354 31.823 29.700 -0.384 0.000 1.199 110 E HN 0.383 nan 8.360 nan 0.000 0.422 111 V N 4.206 123.758 119.914 -0.603 0.000 2.493 111 V HA 0.022 4.117 4.120 -0.041 0.000 0.292 111 V C -1.749 174.115 176.094 -0.383 0.000 1.016 111 V CA -0.659 61.414 62.300 -0.378 0.000 1.097 111 V CB -0.125 31.682 31.823 -0.028 0.000 0.947 111 V HN 0.589 nan 8.190 nan 0.000 0.479 112 P HA 0.114 nan 4.420 nan 0.000 0.220 112 P C 0.145 177.185 177.300 -0.434 0.000 1.806 112 P CA -0.210 62.514 63.100 -0.627 0.000 0.976 112 P CB -0.211 30.774 31.700 -1.191 0.000 1.952 113 H N 2.157 121.106 119.070 -0.202 0.000 2.972 113 H HA -0.039 4.493 4.556 -0.041 0.000 0.343 113 H C 1.154 176.564 175.328 0.137 0.000 1.054 113 H CA 0.627 56.695 56.048 0.033 0.000 1.412 113 H CB 1.110 30.921 29.762 0.082 0.000 1.385 113 H HN 0.247 nan 8.280 nan 0.000 0.600 114 E N 3.540 123.733 120.200 -0.011 0.000 2.158 114 E HA -0.161 4.164 4.350 -0.041 0.000 0.191 114 E C 1.189 177.927 176.600 0.230 0.000 0.982 114 E CA 0.970 57.458 56.400 0.146 0.000 0.823 114 E CB 0.105 29.908 29.700 0.173 0.000 0.766 114 E HN 0.782 nan 8.360 nan 0.000 0.468 115 H N -0.581 118.640 119.070 0.252 0.000 2.406 115 H HA 0.201 4.732 4.556 -0.041 0.000 0.304 115 H C 0.292 175.750 175.328 0.217 0.000 1.042 115 H CA 0.625 56.824 56.048 0.252 0.000 1.360 115 H CB 0.275 30.181 29.762 0.240 0.000 1.448 115 H HN -0.166 nan 8.280 nan 0.000 0.553 116 V N 3.029 123.172 119.914 0.382 0.000 2.585 116 V HA 0.033 4.128 4.120 -0.041 0.000 0.296 116 V C 0.050 176.164 176.094 0.033 0.000 1.035 116 V CA 0.427 62.771 62.300 0.073 0.000 1.084 116 V CB 1.040 32.833 31.823 -0.049 0.000 0.953 116 V HN 0.482 nan 8.190 nan 0.000 0.483 117 Q N 2.147 121.935 119.800 -0.020 0.000 2.297 117 Q HA 0.470 4.786 4.340 -0.041 0.000 0.268 117 Q C -0.058 175.960 176.000 0.029 0.000 1.045 117 Q CA -0.633 55.167 55.803 -0.005 0.000 0.861 117 Q CB 2.094 30.816 28.738 -0.026 0.000 1.344 117 Q HN 0.887 nan 8.270 nan 0.000 0.452 118 S N 0.467 116.184 115.700 0.029 0.000 2.562 118 S HA 0.203 4.648 4.470 -0.041 0.000 0.281 118 S C -0.349 174.319 174.600 0.114 0.000 1.333 118 S CA -0.571 57.668 58.200 0.064 0.000 1.052 118 S CB 0.293 63.513 63.200 0.033 0.000 0.884 118 S HN 0.459 nan 8.310 nan 0.000 0.506 119 F N 3.169 123.115 119.950 -0.007 0.000 2.427 119 F HA 0.473 4.976 4.527 -0.041 0.000 0.352 119 F C 0.480 176.286 175.800 0.010 0.000 1.100 119 F CA -0.186 57.819 58.000 0.008 0.000 1.191 119 F CB 0.618 39.635 39.000 0.028 0.000 1.128 119 F HN 0.836 nan 8.300 nan 0.000 0.533 120 S N 3.972 119.307 115.700 -0.609 0.000 2.568 120 S HA 0.975 5.420 4.470 -0.041 0.000 0.293 120 S C -0.198 173.905 174.600 -0.828 0.000 1.089 120 S CA -0.254 57.639 58.200 -0.513 0.000 0.945 120 S CB 1.412 64.464 63.200 -0.247 0.000 1.077 120 S HN 1.688 nan 8.310 nan 0.000 0.485 121 G N 1.556 110.055 108.800 -0.502 0.000 2.466 121 G HA2 0.007 3.943 3.960 -0.041 0.000 0.316 121 G HA3 0.007 3.943 3.960 -0.041 0.000 0.316 121 G C -1.753 173.042 174.900 -0.175 0.000 1.270 121 G CA -0.929 43.945 45.100 -0.376 0.000 0.982 121 G HN 0.861 nan 8.290 nan 0.000 0.506 122 N N 0.274 119.003 118.700 0.048 0.000 2.384 122 N HA 0.690 5.406 4.740 -0.041 0.000 0.301 122 N C 0.624 176.346 175.510 0.353 0.000 1.133 122 N CA 0.272 53.437 53.050 0.192 0.000 0.853 122 N CB 1.698 40.253 38.487 0.112 0.000 1.241 122 N HN 1.392 nan 8.380 nan 0.000 0.502 123 A N 0.602 123.621 122.820 0.332 0.000 2.587 123 A HA 0.363 4.658 4.320 -0.041 0.000 0.233 123 A C 0.577 178.298 177.584 0.228 0.000 1.049 123 A CA 0.022 52.261 52.037 0.337 0.000 0.754 123 A CB -0.327 18.861 19.000 0.313 0.000 0.977 123 A HN 0.731 nan 8.150 nan 0.000 0.509 124 A N 1.761 124.713 122.820 0.219 0.000 2.351 124 A HA 0.607 4.902 4.320 -0.041 0.000 0.257 124 A C 0.818 178.425 177.584 0.038 0.000 1.087 124 A CA 0.189 52.311 52.037 0.141 0.000 0.798 124 A CB 0.023 19.119 19.000 0.158 0.000 1.033 124 A HN 2.209 nan 8.150 nan 0.000 0.488 125 A N 0.599 123.434 122.820 0.025 0.000 2.286 125 A HA 0.587 4.883 4.320 -0.041 0.000 0.286 125 A C 0.847 178.407 177.584 -0.040 0.000 1.097 125 A CA 0.309 52.334 52.037 -0.020 0.000 0.821 125 A CB -0.270 18.730 19.000 0.000 0.000 1.076 125 A HN 2.078 nan 8.150 nan 0.000 0.490 126 S N -0.910 114.749 115.700 -0.069 0.000 3.711 126 S HA -0.118 4.327 4.470 -0.041 0.000 0.374 126 S C 0.011 174.553 174.600 -0.098 0.000 0.969 126 S CA 0.601 58.760 58.200 -0.067 0.000 1.198 126 S CB -2.067 61.118 63.200 -0.025 0.000 0.903 126 S HN 0.617 nan 8.310 nan 0.000 0.493 127 L N 1.203 122.307 121.223 -0.199 0.000 2.456 127 L HA 0.161 4.476 4.340 -0.041 0.000 0.272 127 L C 1.953 178.675 176.870 -0.247 0.000 1.189 127 L CA 0.462 55.094 54.840 -0.347 0.000 0.846 127 L CB 0.329 41.978 42.059 -0.683 0.000 1.111 127 L HN 0.585 nan 8.230 nan 0.000 0.475 128 T N -1.641 112.835 114.554 -0.129 0.000 3.100 128 T HA 0.055 4.380 4.350 -0.041 0.000 0.253 128 T C 0.064 174.798 174.700 0.056 0.000 1.118 128 T CA 0.121 62.230 62.100 0.015 0.000 1.058 128 T CB -0.294 68.652 68.868 0.131 0.000 0.953 128 T HN 0.511 nan 8.240 nan 0.000 0.515 129 Y N -0.832 119.468 120.300 0.001 0.000 2.633 129 Y HA 0.792 5.318 4.550 -0.041 0.000 0.339 129 Y C -0.502 175.361 175.900 -0.061 0.000 1.045 129 Y CA -1.830 56.249 58.100 -0.035 0.000 1.098 129 Y CB 1.351 39.789 38.460 -0.035 0.000 1.296 129 Y HN 0.018 nan 8.280 nan 0.000 0.494 130 Q N 1.092 120.936 119.800 0.073 0.000 2.394 130 Q HA 0.757 5.072 4.340 -0.041 0.000 0.273 130 Q C -2.049 173.963 176.000 0.020 0.000 1.089 130 Q CA -1.113 54.689 55.803 -0.001 0.000 0.812 130 Q CB 2.847 31.554 28.738 -0.051 0.000 1.353 130 Q HN 0.766 nan 8.270 nan 0.000 0.438 131 V N 2.267 122.189 119.914 0.013 0.000 2.555 131 V HA 0.502 4.598 4.120 -0.041 0.000 0.302 131 V C -0.871 175.187 176.094 -0.061 0.000 1.038 131 V CA -0.630 61.611 62.300 -0.099 0.000 0.887 131 V CB 1.743 33.456 31.823 -0.184 0.000 0.991 131 V HN 0.836 nan 8.190 nan 0.000 0.434 132 E N 4.208 124.347 120.200 -0.102 0.000 2.256 132 E HA 0.580 4.905 4.350 -0.041 0.000 0.268 132 E C -1.710 174.814 176.600 -0.127 0.000 0.877 132 E CA -0.519 55.816 56.400 -0.108 0.000 0.757 132 E CB 1.527 31.168 29.700 -0.097 0.000 1.183 132 E HN 0.463 nan 8.360 nan 0.000 0.418 133 I N 3.220 123.711 120.570 -0.130 0.000 2.378 133 I HA 0.359 4.504 4.170 -0.041 0.000 0.291 133 I C -0.281 175.775 176.117 -0.102 0.000 0.992 133 I CA -0.727 60.503 61.300 -0.117 0.000 1.154 133 I CB 1.340 39.311 38.000 -0.048 0.000 1.315 133 I HN 0.491 nan 8.210 nan 0.000 0.448 134 S N 5.903 121.523 115.700 -0.134 0.000 2.578 134 S HA 0.492 4.938 4.470 -0.041 0.000 0.283 134 S C 1.075 175.682 174.600 0.012 0.000 1.195 134 S CA -0.609 57.549 58.200 -0.070 0.000 1.050 134 S CB 2.222 65.367 63.200 -0.092 0.000 1.012 134 S HN 0.523 nan 8.310 nan 0.000 0.511 135 R N 0.673 121.213 120.500 0.066 0.000 2.123 135 R HA 0.156 4.472 4.340 -0.041 0.000 0.209 135 R C -0.196 176.217 176.300 0.188 0.000 1.078 135 R CA 0.559 56.748 56.100 0.147 0.000 1.028 135 R CB 0.205 30.571 30.300 0.109 0.000 0.939 135 R HN 0.521 nan 8.270 nan 0.000 0.463 136 Q N 1.399 121.272 119.800 0.121 0.000 2.771 136 Q HA 0.331 4.646 4.340 -0.041 0.000 0.247 136 Q C -2.468 173.582 176.000 0.083 0.000 0.986 136 Q CA -1.515 54.358 55.803 0.117 0.000 0.713 136 Q CB 1.767 30.541 28.738 0.061 0.000 1.241 136 Q HN 0.161 nan 8.270 nan 0.000 0.488 137 P HA 0.317 nan 4.420 nan 0.000 0.280 137 P C -0.406 177.011 177.300 0.195 0.000 1.272 137 P CA -0.695 62.514 63.100 0.182 0.000 0.819 137 P CB 0.866 32.667 31.700 0.169 0.000 1.122 138 F N 1.682 121.718 119.950 0.143 0.000 2.578 138 F HA 0.269 4.772 4.527 -0.041 0.000 0.376 138 F C 0.191 176.039 175.800 0.080 0.000 1.085 138 F CA 0.782 58.848 58.000 0.109 0.000 1.260 138 F CB 0.313 39.391 39.000 0.130 0.000 1.095 138 F HN 0.462 nan 8.300 nan 0.000 0.573 139 S N 6.914 122.095 115.700 -0.864 0.000 2.607 139 S HA 0.679 5.124 4.470 -0.041 0.000 0.273 139 S C -1.225 172.774 174.600 -1.002 0.000 1.148 139 S CA -1.028 56.585 58.200 -0.977 0.000 0.833 139 S CB 1.747 64.723 63.200 -0.374 0.000 1.130 139 S HN 0.910 nan 8.310 nan 0.000 0.470 140 I N 0.731 120.890 120.570 -0.685 0.000 2.545 140 I HA 0.683 4.828 4.170 -0.041 0.000 0.292 140 I C -1.265 174.740 176.117 -0.187 0.000 1.040 140 I CA -0.585 60.461 61.300 -0.423 0.000 1.068 140 I CB 1.789 39.500 38.000 -0.482 0.000 1.251 140 I HN 0.905 nan 8.210 nan 0.000 0.424 141 K N 6.525 126.831 120.400 -0.158 0.000 2.468 141 K HA 0.673 4.968 4.320 -0.041 0.000 0.252 141 K C -2.167 174.364 176.600 -0.114 0.000 0.932 141 K CA -0.614 55.629 56.287 -0.073 0.000 0.794 141 K CB 2.371 34.812 32.500 -0.097 0.000 1.241 141 K HN 0.453 nan 8.250 nan 0.000 0.428 142 V N 3.054 122.925 119.914 -0.071 0.000 2.483 142 V HA 0.404 4.499 4.120 -0.041 0.000 0.297 142 V C -0.392 175.637 176.094 -0.107 0.000 1.027 142 V CA -0.661 61.555 62.300 -0.139 0.000 0.855 142 V CB 1.595 33.301 31.823 -0.194 0.000 0.995 142 V HN 0.986 nan 8.190 nan 0.000 0.424 143 T N 1.810 116.320 114.554 -0.073 0.000 2.908 143 T HA 0.628 4.954 4.350 -0.041 0.000 0.290 143 T C -0.388 174.299 174.700 -0.022 0.000 1.034 143 T CA -0.882 61.176 62.100 -0.070 0.000 1.010 143 T CB 1.919 70.753 68.868 -0.057 0.000 1.068 143 T HN 0.620 nan 8.240 nan 0.000 0.481 144 R N 1.363 121.841 120.500 -0.036 0.000 2.298 144 R HA 0.307 4.622 4.340 -0.041 0.000 0.310 144 R C 1.392 177.693 176.300 0.002 0.000 1.068 144 R CA -0.559 55.545 56.100 0.007 0.000 0.957 144 R CB 0.446 30.743 30.300 -0.005 0.000 1.003 144 R HN 0.732 nan 8.270 nan 0.000 0.454 145 R N 1.230 121.734 120.500 0.007 0.000 2.081 145 R HA -0.137 4.178 4.340 -0.041 0.000 0.235 145 R C 2.163 178.455 176.300 -0.013 0.000 1.131 145 R CA 2.018 58.106 56.100 -0.020 0.000 0.960 145 R CB -0.108 30.166 30.300 -0.044 0.000 0.856 145 R HN 0.793 nan 8.270 nan 0.000 0.436 146 S N 1.716 117.416 115.700 0.000 0.000 2.368 146 S HA -0.145 4.300 4.470 -0.041 0.000 0.225 146 S C 1.349 175.952 174.600 0.005 0.000 1.030 146 S CA 1.556 59.759 58.200 0.005 0.000 0.999 146 S CB -0.258 62.951 63.200 0.016 0.000 0.844 146 S HN 0.453 nan 8.310 nan 0.000 0.459 147 N N 0.367 119.069 118.700 0.005 0.000 2.170 147 N HA 0.157 4.872 4.740 -0.041 0.000 0.222 147 N C -0.285 175.222 175.510 -0.006 0.000 1.218 147 N CA 0.149 53.202 53.050 0.005 0.000 0.889 147 N CB -1.352 37.144 38.487 0.014 0.000 1.083 147 N HN 0.596 nan 8.380 nan 0.000 0.520 148 N N -0.194 118.498 118.700 -0.014 0.000 2.708 148 N HA -0.275 4.440 4.740 -0.041 0.000 0.249 148 N C -0.736 174.754 175.510 -0.032 0.000 1.097 148 N CA 0.384 53.419 53.050 -0.025 0.000 0.710 148 N CB -0.768 37.705 38.487 -0.024 0.000 1.032 148 N HN 0.391 nan 8.380 nan 0.000 0.551 149 R N 0.860 121.339 120.500 -0.034 0.000 2.401 149 R HA 0.303 4.618 4.340 -0.041 0.000 0.299 149 R C -0.523 175.726 176.300 -0.085 0.000 1.064 149 R CA -0.208 55.864 56.100 -0.047 0.000 1.000 149 R CB 0.721 30.999 30.300 -0.036 0.000 0.973 149 R HN 0.009 nan 8.270 nan 0.000 0.438 150 V N 7.852 127.714 119.914 -0.088 0.000 2.470 150 V HA 0.043 4.139 4.120 -0.041 0.000 0.276 150 V C 1.137 177.117 176.094 -0.190 0.000 1.040 150 V CA 0.080 62.310 62.300 -0.116 0.000 1.008 150 V CB 0.814 32.583 31.823 -0.089 0.000 0.990 150 V HN 0.815 nan 8.190 nan 0.000 0.477 151 L N 4.184 125.231 121.223 -0.293 0.000 2.356 151 L HA 0.360 4.675 4.340 -0.041 0.000 0.193 151 L C 0.525 177.165 176.870 -0.383 0.000 1.087 151 L CA 0.678 55.122 54.840 -0.660 0.000 0.817 151 L CB 0.082 41.507 42.059 -1.057 0.000 1.035 151 L HN 0.479 nan 8.230 nan 0.000 0.482 152 F N 0.866 120.625 119.950 -0.318 0.000 2.458 152 F HA 0.406 4.908 4.527 -0.042 0.000 0.336 152 F C -0.876 174.841 175.800 -0.139 0.000 1.114 152 F CA -0.641 57.288 58.000 -0.118 0.000 0.987 152 F CB 1.309 40.270 39.000 -0.064 0.000 1.130 152 F HN -0.123 nan 8.300 nan 0.000 0.458 153 D N 2.842 123.110 120.400 -0.221 0.000 2.319 153 D HA 0.088 4.703 4.640 -0.041 0.000 0.237 153 D C 0.137 176.298 176.300 -0.232 0.000 1.353 153 D CA -0.068 53.852 54.000 -0.135 0.000 0.992 153 D CB 1.225 41.948 40.800 -0.128 0.000 1.368 153 D HN 0.439 nan 8.370 nan 0.000 0.564 154 S N 1.260 116.869 115.700 -0.153 0.000 2.555 154 S HA -0.111 4.334 4.470 -0.041 0.000 0.230 154 S C 1.691 176.228 174.600 -0.105 0.000 0.978 154 S CA 0.858 58.976 58.200 -0.137 0.000 0.934 154 S CB -0.282 62.916 63.200 -0.004 0.000 0.766 154 S HN 0.343 nan 8.310 nan 0.000 0.533 155 S N 1.325 116.957 115.700 -0.114 0.000 2.507 155 S HA 0.059 4.504 4.470 -0.041 0.000 0.235 155 S C 1.539 176.117 174.600 -0.037 0.000 0.988 155 S CA 0.529 58.683 58.200 -0.077 0.000 0.944 155 S CB -0.858 62.294 63.200 -0.081 0.000 0.762 155 S HN 0.651 nan 8.310 nan 0.000 0.526 156 I N 1.222 121.762 120.570 -0.050 0.000 2.493 156 I HA 0.124 4.269 4.170 -0.041 0.000 0.254 156 I C 1.065 177.197 176.117 0.026 0.000 1.160 156 I CA 0.860 62.148 61.300 -0.020 0.000 1.445 156 I CB -0.374 37.595 38.000 -0.052 0.000 1.086 156 I HN 0.520 nan 8.210 nan 0.000 0.433 157 G N -0.015 108.795 108.800 0.016 0.000 2.727 157 G HA2 0.479 4.415 3.960 -0.041 0.000 0.289 157 G HA3 0.479 4.415 3.960 -0.041 0.000 0.289 157 G C -2.937 171.969 174.900 0.010 0.000 1.418 157 G CA -0.759 44.361 45.100 0.032 0.000 0.818 157 G HN -0.122 nan 8.290 nan 0.000 0.486 158 P HA 0.374 nan 4.420 nan 0.000 0.274 158 P C -0.800 176.555 177.300 0.092 0.000 1.246 158 P CA -0.472 62.616 63.100 -0.020 0.000 0.795 158 P CB 1.570 33.097 31.700 -0.288 0.000 1.006 159 L N 1.862 123.242 121.223 0.261 0.000 2.275 159 L HA 0.401 4.717 4.340 -0.041 0.000 0.288 159 L C -0.974 176.108 176.870 0.354 0.000 1.046 159 L CA -0.232 54.787 54.840 0.297 0.000 0.805 159 L CB -0.124 42.131 42.059 0.327 0.000 1.193 159 L HN 0.191 nan 8.230 nan 0.000 0.426 160 L N 6.098 127.492 121.223 0.284 0.000 2.346 160 L HA 0.521 4.836 4.340 -0.041 0.000 0.276 160 L C -1.003 176.101 176.870 0.389 0.000 1.006 160 L CA -0.349 54.727 54.840 0.393 0.000 0.817 160 L CB 1.724 44.015 42.059 0.386 0.000 1.272 160 L HN 0.660 nan 8.230 nan 0.000 0.421 161 F N 2.870 123.020 119.950 0.333 0.000 3.167 161 F HA 0.619 5.122 4.527 -0.041 0.000 0.389 161 F C -0.129 175.825 175.800 0.256 0.000 1.233 161 F CA -0.438 57.689 58.000 0.212 0.000 1.238 161 F CB 0.770 39.797 39.000 0.044 0.000 1.971 161 F HN 0.539 nan 8.300 nan 0.000 0.651 162 A N 2.192 125.296 122.820 0.474 0.000 2.288 162 A HA 0.330 4.626 4.320 -0.041 0.000 0.328 162 A C 0.732 178.518 177.584 0.337 0.000 1.123 162 A CA -0.284 51.997 52.037 0.407 0.000 0.861 162 A CB 0.897 20.120 19.000 0.371 0.000 1.272 162 A HN 0.665 nan 8.150 nan 0.000 0.490 163 D N -0.623 119.947 120.400 0.284 0.000 2.149 163 D HA -0.148 4.467 4.640 -0.041 0.000 0.198 163 D C 1.048 177.470 176.300 0.203 0.000 0.990 163 D CA 2.003 56.141 54.000 0.229 0.000 0.839 163 D CB 0.195 41.098 40.800 0.172 0.000 0.948 163 D HN 0.566 nan 8.370 nan 0.000 0.460 164 Q N -1.448 118.497 119.800 0.242 0.000 2.115 164 Q HA 0.213 4.529 4.340 -0.041 0.000 0.249 164 Q C -1.025 175.179 176.000 0.341 0.000 0.830 164 Q CA -0.336 55.630 55.803 0.271 0.000 1.104 164 Q CB 1.116 30.010 28.738 0.259 0.000 1.207 164 Q HN 0.189 nan 8.270 nan 0.000 0.464 165 F N 1.084 121.094 119.950 0.100 0.000 2.839 165 F HA 0.369 4.870 4.527 -0.043 0.000 0.344 165 F C -2.271 173.524 175.800 -0.009 0.000 1.242 165 F CA -0.800 57.222 58.000 0.036 0.000 1.091 165 F CB 1.088 40.149 39.000 0.102 0.000 1.374 165 F HN -0.150 nan 8.300 nan 0.000 0.553 166 L N 5.422 126.369 121.223 -0.461 0.000 2.410 166 L HA 0.643 4.959 4.340 -0.041 0.000 0.270 166 L C -0.870 175.747 176.870 -0.422 0.000 0.983 166 L CA -0.406 54.202 54.840 -0.388 0.000 0.822 166 L CB 2.170 43.919 42.059 -0.516 0.000 1.285 166 L HN 0.637 nan 8.230 nan 0.000 0.409 167 Q N 2.903 122.586 119.800 -0.194 0.000 2.315 167 Q HA 0.804 5.120 4.340 -0.041 0.000 0.273 167 Q C -2.140 173.912 176.000 0.086 0.000 1.053 167 Q CA -0.707 55.039 55.803 -0.096 0.000 0.817 167 Q CB 2.825 31.499 28.738 -0.105 0.000 1.326 167 Q HN 0.595 nan 8.270 nan 0.000 0.423 168 L N 1.490 122.820 121.223 0.178 0.000 2.434 168 L HA 0.671 4.987 4.340 -0.041 0.000 0.260 168 L C -1.492 175.480 176.870 0.170 0.000 0.983 168 L CA -0.075 54.891 54.840 0.209 0.000 0.820 168 L CB 2.761 45.016 42.059 0.327 0.000 1.361 168 L HN 0.719 nan 8.230 nan 0.000 0.410 169 S N 0.771 116.507 115.700 0.060 0.000 2.648 169 S HA 0.851 5.297 4.470 -0.041 0.000 0.305 169 S C -0.912 173.559 174.600 -0.215 0.000 1.094 169 S CA -0.583 57.597 58.200 -0.034 0.000 0.983 169 S CB 1.898 65.078 63.200 -0.033 0.000 1.101 169 S HN 0.715 nan 8.310 nan 0.000 0.514 170 T N 0.853 115.213 114.554 -0.323 0.000 2.952 170 T HA 0.426 4.752 4.350 -0.041 0.000 0.305 170 T C -0.704 173.807 174.700 -0.315 0.000 1.064 170 T CA -0.749 61.024 62.100 -0.545 0.000 1.008 170 T CB 0.697 68.862 68.868 -1.172 0.000 1.078 170 T HN 0.538 nan 8.240 nan 0.000 0.459 171 R N 2.407 122.754 120.500 -0.256 0.000 2.784 171 R HA 0.523 4.839 4.340 -0.041 0.000 0.266 171 R C -0.371 175.854 176.300 -0.124 0.000 1.044 171 R CA -0.184 55.814 56.100 -0.170 0.000 1.151 171 R CB 0.352 30.572 30.300 -0.133 0.000 1.037 171 R HN 0.504 nan 8.270 nan 0.000 0.478 172 L N 1.865 123.043 121.223 -0.076 0.000 2.370 172 L HA 0.353 4.668 4.340 -0.041 0.000 0.266 172 L C -1.594 175.287 176.870 0.018 0.000 1.002 172 L CA -1.930 52.930 54.840 0.033 0.000 0.818 172 L CB 2.675 44.726 42.059 -0.013 0.000 1.325 172 L HN 0.510 nan 8.230 nan 0.000 0.418 173 P HA 0.011 nan 4.420 nan 0.000 0.245 173 P C -0.057 177.260 177.300 0.029 0.000 1.206 173 P CA 0.471 63.595 63.100 0.041 0.000 0.781 173 P CB 0.527 32.260 31.700 0.056 0.000 0.994 174 S N -2.018 113.692 115.700 0.017 0.000 2.615 174 S HA 0.344 4.789 4.470 -0.041 0.000 0.269 174 S C 0.407 174.955 174.600 -0.087 0.000 1.161 174 S CA -0.137 58.045 58.200 -0.030 0.000 0.817 174 S CB 0.704 63.872 63.200 -0.053 0.000 1.131 174 S HN -0.038 nan 8.310 nan 0.000 0.467 175 T N -1.100 113.396 114.554 -0.096 0.000 3.188 175 T HA 0.268 4.593 4.350 -0.041 0.000 0.250 175 T C -0.088 174.479 174.700 -0.222 0.000 1.077 175 T CA -0.322 61.688 62.100 -0.149 0.000 0.967 175 T CB -0.840 67.969 68.868 -0.097 0.000 1.006 175 T HN 0.504 nan 8.240 nan 0.000 0.552 176 N N 2.266 120.817 118.700 -0.248 0.000 2.807 176 N HA 0.336 5.051 4.740 -0.041 0.000 0.259 176 N C -1.158 173.983 175.510 -0.614 0.000 1.149 176 N CA -0.068 52.750 53.050 -0.387 0.000 1.042 176 N CB 1.227 39.541 38.487 -0.290 0.000 1.367 176 N HN 0.227 nan 8.380 nan 0.000 0.516 177 V N 2.833 122.227 119.914 -0.867 0.000 2.487 177 V HA 0.441 4.537 4.120 -0.041 0.000 0.298 177 V C -0.942 174.631 176.094 -0.868 0.000 1.028 177 V CA -0.663 61.228 62.300 -0.682 0.000 0.860 177 V CB 0.840 32.336 31.823 -0.546 0.000 0.991 177 V HN 0.335 nan 8.190 nan 0.000 0.427 178 Y N 2.344 122.551 120.300 -0.155 0.000 2.442 178 Y HA 0.886 5.411 4.550 -0.041 0.000 0.344 178 Y C 0.628 176.468 175.900 -0.100 0.000 0.976 178 Y CA 0.124 58.054 58.100 -0.284 0.000 1.040 178 Y CB 2.424 40.609 38.460 -0.459 0.000 1.228 178 Y HN 0.974 nan 8.280 nan 0.000 0.451 179 G N 1.012 109.899 108.800 0.145 0.000 2.298 179 G HA2 0.245 4.180 3.960 -0.041 0.000 0.309 179 G HA3 0.245 4.180 3.960 -0.041 0.000 0.309 179 G C -1.599 173.559 174.900 0.429 0.000 1.279 179 G CA -0.659 44.618 45.100 0.295 0.000 1.042 179 G HN 1.019 nan 8.290 nan 0.000 0.480 180 L N -1.935 119.577 121.223 0.482 0.000 0.586 180 L HA 0.243 4.559 4.340 -0.041 0.000 0.356 180 L C 0.698 177.776 176.870 0.346 0.000 1.005 180 L CA 0.731 55.750 54.840 0.299 0.000 1.223 180 L CB -1.092 41.038 42.059 0.119 0.000 0.023 180 L HN 2.661 nan 8.230 nan 0.000 0.092 181 G N 1.138 109.890 108.800 -0.080 0.000 2.441 181 G HA2 0.457 4.392 3.960 -0.041 0.000 0.294 181 G HA3 0.457 4.392 3.960 -0.041 0.000 0.294 181 G C -1.972 172.599 174.900 -0.548 0.000 1.393 181 G CA -0.402 44.449 45.100 -0.414 0.000 0.796 181 G HN 0.763 nan 8.290 nan 0.000 0.494 182 E N 0.212 120.143 120.200 -0.448 0.000 2.200 182 E HA 0.545 4.870 4.350 -0.041 0.000 0.283 182 E C -0.697 175.609 176.600 -0.490 0.000 1.015 182 E CA -0.560 55.670 56.400 -0.284 0.000 0.819 182 E CB 0.402 30.175 29.700 0.122 0.000 1.081 182 E HN 0.510 nan 8.360 nan 0.000 0.397 183 H N 1.497 120.501 119.070 -0.110 0.000 3.008 183 H HA 0.268 4.799 4.556 -0.042 0.000 0.354 183 H C -1.049 174.078 175.328 -0.335 0.000 1.252 183 H CA -0.769 55.150 56.048 -0.215 0.000 1.117 183 H CB 1.369 30.901 29.762 -0.384 0.000 1.857 183 H HN 0.197 nan 8.280 nan 0.000 0.547 184 V N 2.189 122.064 119.914 -0.065 0.000 2.320 184 V HA 0.068 4.164 4.120 -0.041 0.000 0.265 184 V C 0.703 176.671 176.094 -0.210 0.000 1.048 184 V CA -0.008 62.192 62.300 -0.166 0.000 0.865 184 V CB -0.089 31.644 31.823 -0.150 0.000 1.043 184 V HN 0.750 nan 8.190 nan 0.000 0.474 185 H N 2.804 121.756 119.070 -0.197 0.000 2.535 185 H HA -0.002 4.529 4.556 -0.041 0.000 0.273 185 H C 1.424 176.627 175.328 -0.209 0.000 0.983 185 H CA 0.608 56.482 56.048 -0.288 0.000 1.238 185 H CB 0.273 29.735 29.762 -0.499 0.000 1.412 185 H HN 0.768 nan 8.280 nan 0.000 0.562 186 Q N -0.836 118.841 119.800 -0.206 0.000 2.604 186 Q HA -0.279 4.037 4.340 -0.041 0.000 0.160 186 Q C 0.301 176.259 176.000 -0.068 0.000 1.724 186 Q CA 1.778 57.436 55.803 -0.242 0.000 1.083 186 Q CB -0.925 27.625 28.738 -0.313 0.000 1.016 186 Q HN 0.663 nan 8.270 nan 0.000 0.939 187 Q N -1.314 118.382 119.800 -0.174 0.000 2.496 187 Q HA 0.468 4.784 4.340 -0.041 0.000 0.286 187 Q C 0.123 176.007 176.000 -0.192 0.000 1.103 187 Q CA -0.748 54.782 55.803 -0.456 0.000 0.813 187 Q CB 0.755 29.271 28.738 -0.370 0.000 1.444 187 Q HN 0.113 nan 8.270 nan 0.000 0.443 188 Y N 0.762 120.924 120.300 -0.230 0.000 2.266 188 Y HA 0.252 4.777 4.550 -0.041 0.000 0.294 188 Y C 0.703 176.608 175.900 0.008 0.000 1.127 188 Y CA 0.474 58.573 58.100 -0.001 0.000 1.140 188 Y CB 0.521 39.091 38.460 0.183 0.000 1.071 188 Y HN 0.666 nan 8.280 nan 0.000 0.525 189 R N 1.365 121.844 120.500 -0.035 0.000 2.442 189 R HA 0.058 4.373 4.340 -0.041 0.000 0.291 189 R C -1.029 175.046 176.300 -0.374 0.000 1.069 189 R CA -0.185 55.736 56.100 -0.298 0.000 1.022 189 R CB 0.013 30.287 30.300 -0.044 0.000 0.976 189 R HN 0.312 nan 8.270 nan 0.000 0.443 190 H N 1.865 120.653 119.070 -0.471 0.000 2.964 190 H HA -0.066 4.465 4.556 -0.041 0.000 0.328 190 H C -0.345 174.848 175.328 -0.225 0.000 1.030 190 H CA 0.640 56.470 56.048 -0.364 0.000 1.445 190 H CB 0.521 30.013 29.762 -0.451 0.000 1.449 190 H HN 0.480 nan 8.280 nan 0.000 0.581 191 D N 4.030 124.417 120.400 -0.022 0.000 2.349 191 D HA -0.070 4.546 4.640 -0.041 0.000 0.266 191 D C 0.370 176.661 176.300 -0.016 0.000 1.293 191 D CA -0.039 53.962 54.000 0.002 0.000 0.926 191 D CB 0.476 41.304 40.800 0.047 0.000 1.090 191 D HN 0.431 nan 8.370 nan 0.000 0.502 192 M N 2.426 121.965 119.600 -0.102 0.000 2.628 192 M HA 0.008 4.464 4.480 -0.041 0.000 0.232 192 M C 0.102 176.242 176.300 -0.266 0.000 1.128 192 M CA 0.148 55.327 55.300 -0.202 0.000 1.040 192 M CB -1.193 31.263 32.600 -0.240 0.000 1.608 192 M HN 0.262 nan 8.290 nan 0.000 0.507 193 N N 0.403 119.007 118.700 -0.160 0.000 3.124 193 N HA 0.084 4.799 4.740 -0.041 0.000 0.284 193 N C -1.149 174.360 175.510 -0.002 0.000 1.209 193 N CA -0.291 52.677 53.050 -0.136 0.000 1.149 193 N CB -0.162 38.329 38.487 0.007 0.000 1.434 193 N HN 0.218 nan 8.380 nan 0.000 0.529 194 W N 0.655 121.902 121.300 -0.088 0.000 4.870 194 W HA -0.246 4.389 4.660 -0.042 0.000 0.435 194 W C -0.364 176.071 176.519 -0.141 0.000 1.775 194 W CA 0.045 57.326 57.345 -0.107 0.000 0.796 194 W CB -0.836 28.566 29.460 -0.096 0.000 2.911 194 W HN 0.132 nan 8.180 nan 0.000 0.999 195 K N 1.048 121.433 120.400 -0.025 0.000 2.378 195 K HA 0.642 4.938 4.320 -0.041 0.000 0.252 195 K C -0.126 176.309 176.600 -0.275 0.000 0.931 195 K CA -0.831 55.342 56.287 -0.190 0.000 0.794 195 K CB 2.109 34.513 32.500 -0.161 0.000 1.181 195 K HN -0.099 nan 8.250 nan 0.000 0.425 196 T N 2.060 116.358 114.554 -0.427 0.000 2.792 196 T HA 0.439 4.765 4.350 -0.041 0.000 0.280 196 T C -0.901 173.460 174.700 -0.565 0.000 0.990 196 T CA -0.523 61.375 62.100 -0.337 0.000 0.960 196 T CB 0.536 69.304 68.868 -0.166 0.000 0.939 196 T HN 0.341 nan 8.240 nan 0.000 0.439 197 W N 5.801 127.005 121.300 -0.159 0.000 2.336 197 W HA 0.382 5.017 4.660 -0.042 0.000 0.315 197 W C -2.337 174.130 176.519 -0.087 0.000 1.016 197 W CA -2.304 54.886 57.345 -0.259 0.000 1.318 197 W CB 1.190 30.394 29.460 -0.426 0.000 1.247 197 W HN 0.372 nan 8.180 nan 0.000 0.414 198 P HA 0.363 nan 4.420 nan 0.000 0.282 198 P C -0.570 176.968 177.300 0.396 0.000 1.249 198 P CA -0.035 63.189 63.100 0.206 0.000 0.806 198 P CB 1.901 33.664 31.700 0.104 0.000 0.984 199 I N 3.458 124.221 120.570 0.321 0.000 2.439 199 I HA 0.450 4.596 4.170 -0.041 0.000 0.283 199 I C -0.845 175.479 176.117 0.344 0.000 1.023 199 I CA -0.546 60.944 61.300 0.317 0.000 1.100 199 I CB 1.103 39.258 38.000 0.259 0.000 1.238 199 I HN 0.246 nan 8.210 nan 0.000 0.445 200 F N 5.831 125.848 119.950 0.111 0.000 2.775 200 F HA 0.336 4.836 4.527 -0.047 0.000 0.339 200 F C -0.927 174.963 175.800 0.150 0.000 1.159 200 F CA -0.823 57.237 58.000 0.100 0.000 1.145 200 F CB 0.946 39.946 39.000 -0.001 0.000 1.408 200 F HN 0.315 nan 8.300 nan 0.000 0.597 201 N N 4.466 123.041 118.700 -0.207 0.000 2.411 201 N HA 0.261 4.976 4.740 -0.041 0.000 0.265 201 N C -0.592 174.899 175.510 -0.031 0.000 1.266 201 N CA 0.350 53.350 53.050 -0.084 0.000 0.889 201 N CB 0.529 38.929 38.487 -0.145 0.000 1.069 201 N HN 0.613 nan 8.380 nan 0.000 0.476 202 R N 1.255 121.762 120.500 0.011 0.000 2.535 202 R HA 0.172 4.487 4.340 -0.041 0.000 0.274 202 R C -1.818 174.483 176.300 0.001 0.000 1.090 202 R CA -0.722 55.402 56.100 0.040 0.000 0.930 202 R CB 0.751 31.096 30.300 0.074 0.000 1.223 202 R HN 0.324 nan 8.270 nan 0.000 0.441 203 D N 2.986 123.455 120.400 0.116 0.000 2.367 203 D HA 0.223 4.838 4.640 -0.041 0.000 0.255 203 D C -0.989 175.374 176.300 0.106 0.000 1.300 203 D CA 0.713 54.841 54.000 0.214 0.000 0.959 203 D CB 0.323 41.268 40.800 0.242 0.000 1.064 203 D HN 0.626 nan 8.370 nan 0.000 0.509 204 T N -0.445 114.081 114.554 -0.047 0.000 2.762 204 T HA 0.379 4.705 4.350 -0.041 0.000 0.301 204 T C -0.183 174.516 174.700 -0.002 0.000 1.299 204 T CA -0.992 61.114 62.100 0.009 0.000 1.005 204 T CB 0.914 69.778 68.868 -0.007 0.000 1.377 204 T HN 0.071 nan 8.240 nan 0.000 0.504 205 T N 3.865 118.476 114.554 0.095 0.000 2.814 205 T HA 0.381 4.707 4.350 -0.041 0.000 0.297 205 T C -2.325 172.450 174.700 0.125 0.000 0.956 205 T CA -0.732 61.465 62.100 0.163 0.000 1.123 205 T CB 0.287 69.270 68.868 0.192 0.000 0.902 205 T HN 0.459 nan 8.240 nan 0.000 0.528 206 P HA 0.134 nan 4.420 nan 0.000 0.263 206 P C -0.628 176.819 177.300 0.244 0.000 1.601 206 P CA -0.323 62.880 63.100 0.172 0.000 1.161 206 P CB -0.116 31.724 31.700 0.233 0.000 1.730 207 N N 0.944 119.755 118.700 0.184 0.000 3.184 207 N HA 0.343 5.058 4.740 -0.041 0.000 0.353 207 N C 1.306 176.821 175.510 0.009 0.000 1.441 207 N CA -0.736 52.474 53.050 0.267 0.000 0.723 207 N CB -0.514 38.126 38.487 0.255 0.000 1.547 207 N HN -0.012 nan 8.380 nan 0.000 0.624 208 G N -1.374 107.473 108.800 0.078 0.000 2.848 208 G HA2 -0.117 3.818 3.960 -0.041 0.000 0.208 208 G HA3 -0.117 3.818 3.960 -0.041 0.000 0.208 208 G C 0.366 175.233 174.900 -0.054 0.000 1.152 208 G CA 0.041 45.061 45.100 -0.134 0.000 0.789 208 G HN 0.545 nan 8.290 nan 0.000 0.531 209 N N 0.879 119.580 118.700 0.002 0.000 2.412 209 N HA 0.028 4.743 4.740 -0.041 0.000 0.184 209 N C 1.722 177.224 175.510 -0.014 0.000 1.101 209 N CA 0.774 53.826 53.050 0.003 0.000 0.881 209 N CB 0.184 38.688 38.487 0.028 0.000 0.969 209 N HN 0.329 nan 8.380 nan 0.000 0.459 210 G N 1.758 110.576 108.800 0.030 0.000 2.305 210 G HA2 -0.307 3.628 3.960 -0.041 0.000 0.287 210 G HA3 -0.307 3.628 3.960 -0.041 0.000 0.287 210 G C 0.466 175.450 174.900 0.140 0.000 1.036 210 G CA 1.039 46.231 45.100 0.153 0.000 0.887 210 G HN 0.508 nan 8.290 nan 0.000 0.505 211 T N -1.333 113.301 114.554 0.134 0.000 2.754 211 T HA 0.493 4.819 4.350 -0.041 0.000 0.286 211 T C 0.867 175.731 174.700 0.274 0.000 0.997 211 T CA -0.065 62.116 62.100 0.136 0.000 0.982 211 T CB 0.931 69.841 68.868 0.071 0.000 1.027 211 T HN 0.688 nan 8.240 nan 0.000 0.529 212 N N 1.366 120.211 118.700 0.241 0.000 2.454 212 N HA 0.199 4.914 4.740 -0.041 0.000 0.254 212 N C -0.308 175.246 175.510 0.074 0.000 1.228 212 N CA -0.266 52.936 53.050 0.254 0.000 0.900 212 N CB 0.469 39.094 38.487 0.231 0.000 1.089 212 N HN 0.705 nan 8.380 nan 0.000 0.449 213 L N -0.037 121.168 121.223 -0.030 0.000 2.778 213 L HA 0.319 4.634 4.340 -0.041 0.000 0.246 213 L C 1.075 177.790 176.870 -0.257 0.000 1.820 213 L CA -0.936 53.724 54.840 -0.300 0.000 1.986 213 L CB -0.147 41.710 42.059 -0.337 0.000 2.298 213 L HN 0.342 nan 8.230 nan 0.000 0.580 214 Y N -0.007 120.319 120.300 0.043 0.000 2.373 214 Y HA 0.126 4.651 4.550 -0.043 0.000 0.293 214 Y C 1.262 177.170 175.900 0.014 0.000 1.129 214 Y CA 0.484 58.595 58.100 0.019 0.000 1.226 214 Y CB -0.608 37.847 38.460 -0.008 0.000 1.000 214 Y HN 0.398 nan 8.280 nan 0.000 0.549 215 G N -0.865 108.028 108.800 0.155 0.000 2.685 215 G HA2 0.710 4.646 3.960 -0.041 0.000 0.298 215 G HA3 0.710 4.646 3.960 -0.041 0.000 0.298 215 G C -1.510 173.417 174.900 0.045 0.000 1.277 215 G CA -0.585 44.580 45.100 0.107 0.000 0.986 215 G HN 0.178 nan 8.290 nan 0.000 0.487 216 A N 0.465 123.319 122.820 0.057 0.000 2.375 216 A HA 0.712 5.008 4.320 -0.041 0.000 0.291 216 A C -0.805 176.679 177.584 -0.166 0.000 1.160 216 A CA -0.535 51.525 52.037 0.038 0.000 0.747 216 A CB 1.414 20.577 19.000 0.271 0.000 1.170 216 A HN 0.373 nan 8.150 nan 0.000 0.458 217 Q N 2.072 121.689 119.800 -0.304 0.000 2.414 217 Q HA 0.247 4.562 4.340 -0.041 0.000 0.256 217 Q C 0.416 176.238 176.000 -0.298 0.000 0.974 217 Q CA -0.033 55.419 55.803 -0.585 0.000 0.723 217 Q CB 1.499 29.360 28.738 -1.462 0.000 1.281 217 Q HN 0.899 nan 8.270 nan 0.000 0.470 218 T N -1.590 112.946 114.554 -0.030 0.000 3.107 218 T HA 0.153 4.478 4.350 -0.041 0.000 0.249 218 T C 0.576 175.482 174.700 0.343 0.000 1.096 218 T CA -0.187 62.030 62.100 0.195 0.000 1.012 218 T CB -0.074 68.878 68.868 0.140 0.000 0.977 218 T HN 0.282 nan 8.240 nan 0.000 0.527 219 F N 3.729 123.737 119.950 0.098 0.000 2.529 219 F HA 0.455 4.957 4.527 -0.042 0.000 0.365 219 F C -0.395 175.518 175.800 0.190 0.000 1.102 219 F CA -1.962 56.036 58.000 -0.002 0.000 1.271 219 F CB 0.154 38.817 39.000 -0.562 0.000 1.120 219 F HN 0.278 nan 8.300 nan 0.000 0.579 220 F N 5.650 125.079 119.950 -0.868 0.000 2.629 220 F HA 0.752 5.254 4.527 -0.042 0.000 0.316 220 F C -2.162 172.895 175.800 -1.238 0.000 1.081 220 F CA -1.577 55.904 58.000 -0.864 0.000 0.954 220 F CB 1.167 39.904 39.000 -0.438 0.000 1.337 220 F HN 0.507 nan 8.300 nan 0.000 0.474 221 L N 2.460 123.365 121.223 -0.531 0.000 2.362 221 L HA 0.734 5.050 4.340 -0.041 0.000 0.271 221 L C -1.584 175.217 176.870 -0.115 0.000 1.002 221 L CA -0.569 54.032 54.840 -0.399 0.000 0.818 221 L CB 1.768 43.795 42.059 -0.053 0.000 1.298 221 L HN 1.099 nan 8.230 nan 0.000 0.420 222 C N 5.678 124.782 119.300 -0.326 0.000 2.364 222 C HA 0.557 4.992 4.460 -0.041 0.000 0.324 222 C C -0.514 174.416 174.990 -0.102 0.000 1.234 222 C CA -0.905 57.981 59.018 -0.221 0.000 1.417 222 C CB 0.780 28.286 27.740 -0.391 0.000 2.101 222 C HN 0.770 nan 8.230 nan 0.000 0.466 223 L N 6.370 127.576 121.223 -0.029 0.000 2.283 223 L HA 0.417 4.732 4.340 -0.041 0.000 0.287 223 L C 1.062 177.846 176.870 -0.143 0.000 1.073 223 L CA 0.801 55.579 54.840 -0.104 0.000 0.822 223 L CB 0.436 42.384 42.059 -0.186 0.000 1.186 223 L HN 0.836 nan 8.230 nan 0.000 0.436 224 E N 2.213 122.394 120.200 -0.031 0.000 2.072 224 E HA -0.054 4.271 4.350 -0.041 0.000 0.191 224 E C -0.438 176.140 176.600 -0.037 0.000 0.985 224 E CA 1.516 57.929 56.400 0.021 0.000 0.801 224 E CB 0.127 29.880 29.700 0.089 0.000 0.750 224 E HN 0.932 nan 8.360 nan 0.000 0.452 225 D N -3.179 117.195 120.400 -0.044 0.000 2.738 225 D HA 0.237 4.853 4.640 -0.041 0.000 0.308 225 D C -0.180 176.252 176.300 0.221 0.000 1.311 225 D CA -0.144 53.904 54.000 0.081 0.000 0.799 225 D CB 0.165 41.049 40.800 0.140 0.000 1.332 225 D HN -0.100 nan 8.370 nan 0.000 0.441 226 A N -0.204 122.903 122.820 0.479 0.000 2.178 226 A HA -0.008 4.287 4.320 -0.041 0.000 0.218 226 A C 1.831 179.682 177.584 0.444 0.000 1.157 226 A CA 1.924 54.317 52.037 0.593 0.000 0.689 226 A CB -1.122 18.171 19.000 0.489 0.000 0.787 226 A HN 0.733 nan 8.150 nan 0.000 0.465 227 S N -2.112 113.761 115.700 0.288 0.000 2.481 227 S HA 0.296 4.741 4.470 -0.041 0.000 0.231 227 S C 1.579 176.277 174.600 0.163 0.000 0.996 227 S CA 1.255 59.597 58.200 0.237 0.000 0.942 227 S CB -0.274 63.011 63.200 0.142 0.000 0.768 227 S HN 1.808 nan 8.310 nan 0.000 0.520 228 G N 0.644 109.452 108.800 0.013 0.000 2.238 228 G HA2 -0.194 3.741 3.960 -0.041 0.000 0.217 228 G HA3 -0.194 3.741 3.960 -0.041 0.000 0.217 228 G C -0.001 174.696 174.900 -0.338 0.000 0.996 228 G CA -0.115 44.633 45.100 -0.587 0.000 0.632 228 G HN 0.498 nan 8.290 nan 0.000 0.503 229 L N 1.936 123.086 121.223 -0.120 0.000 2.540 229 L HA 0.442 4.758 4.340 -0.041 0.000 0.276 229 L C 0.463 177.325 176.870 -0.014 0.000 1.212 229 L CA 0.605 55.419 54.840 -0.044 0.000 0.893 229 L CB 0.798 42.868 42.059 0.019 0.000 1.138 229 L HN 0.258 nan 8.230 nan 0.000 0.491 230 S N 2.535 118.254 115.700 0.031 0.000 2.607 230 S HA 0.798 5.243 4.470 -0.041 0.000 0.273 230 S C -0.895 173.844 174.600 0.231 0.000 1.148 230 S CA -0.639 57.604 58.200 0.072 0.000 0.833 230 S CB 2.261 65.423 63.200 -0.064 0.000 1.130 230 S HN 0.491 nan 8.310 nan 0.000 0.470 231 F N -1.226 118.740 119.950 0.027 0.000 2.715 231 F HA 0.983 5.486 4.527 -0.041 0.000 0.318 231 F C -0.216 175.606 175.800 0.037 0.000 1.141 231 F CA -0.791 57.251 58.000 0.070 0.000 0.950 231 F CB 1.021 40.064 39.000 0.070 0.000 1.374 231 F HN 0.803 nan 8.300 nan 0.000 0.477 232 G N 0.209 109.002 108.800 -0.012 0.000 2.695 232 G HA2 0.649 4.585 3.960 -0.041 0.000 0.290 232 G HA3 0.649 4.585 3.960 -0.041 0.000 0.290 232 G C -2.483 172.377 174.900 -0.067 0.000 1.410 232 G CA -1.106 43.788 45.100 -0.342 0.000 0.844 232 G HN 0.802 nan 8.290 nan 0.000 0.478 233 V N 0.306 119.902 119.914 -0.530 0.000 2.760 233 V HA 0.724 4.819 4.120 -0.041 0.000 0.309 233 V C -1.503 174.692 176.094 0.169 0.000 1.077 233 V CA -0.682 61.542 62.300 -0.125 0.000 0.910 233 V CB 1.837 33.550 31.823 -0.184 0.000 1.008 233 V HN 0.811 nan 8.190 nan 0.000 0.424 234 F N 5.452 125.553 119.950 0.253 0.000 2.569 234 F HA 0.805 5.307 4.527 -0.042 0.000 0.312 234 F C -1.437 174.405 175.800 0.070 0.000 1.109 234 F CA -1.136 57.015 58.000 0.252 0.000 0.919 234 F CB 1.848 41.128 39.000 0.466 0.000 1.211 234 F HN 0.422 nan 8.300 nan 0.000 0.446 235 L N 7.515 128.206 121.223 -0.886 0.000 2.280 235 L HA 0.552 4.868 4.340 -0.041 0.000 0.287 235 L C -0.744 175.268 176.870 -1.429 0.000 1.023 235 L CA -0.656 53.441 54.840 -1.239 0.000 0.819 235 L CB 1.251 42.564 42.059 -1.243 0.000 1.212 235 L HN 0.779 nan 8.230 nan 0.000 0.420 236 M N 6.402 125.341 119.600 -1.103 0.000 2.725 236 M HA 0.396 4.851 4.480 -0.041 0.000 0.322 236 M C -1.081 175.051 176.300 -0.280 0.000 1.393 236 M CA 0.515 55.462 55.300 -0.590 0.000 1.452 236 M CB -0.889 31.619 32.600 -0.153 0.000 1.242 236 M HN 0.652 nan 8.290 nan 0.000 0.487 237 N N 1.308 119.935 118.700 -0.120 0.000 2.452 237 N HA 0.229 4.944 4.740 -0.041 0.000 0.277 237 N C -0.879 174.759 175.510 0.214 0.000 1.078 237 N CA 0.074 53.120 53.050 -0.006 0.000 0.947 237 N CB 1.608 39.989 38.487 -0.176 0.000 1.655 237 N HN 0.528 nan 8.380 nan 0.000 0.490 238 S N 1.248 117.076 115.700 0.214 0.000 2.578 238 S HA 0.247 4.692 4.470 -0.041 0.000 0.231 238 S C 0.298 174.956 174.600 0.097 0.000 0.994 238 S CA -0.608 57.685 58.200 0.155 0.000 0.956 238 S CB -0.144 62.974 63.200 -0.136 0.000 0.870 238 S HN 0.484 nan 8.310 nan 0.000 0.494 239 N N 2.306 121.040 118.700 0.057 0.000 2.424 239 N HA 0.403 5.118 4.740 -0.041 0.000 0.257 239 N C 0.168 175.706 175.510 0.046 0.000 1.250 239 N CA 0.183 53.209 53.050 -0.041 0.000 0.946 239 N CB 0.713 39.132 38.487 -0.113 0.000 1.175 239 N HN 0.445 nan 8.380 nan 0.000 0.477 240 A N 1.262 124.065 122.820 -0.029 0.000 2.540 240 A HA 0.260 4.555 4.320 -0.041 0.000 0.239 240 A C 0.431 178.008 177.584 -0.011 0.000 1.061 240 A CA 0.445 52.475 52.037 -0.012 0.000 0.758 240 A CB -0.291 18.415 19.000 -0.490 0.000 0.991 240 A HN 0.755 nan 8.150 nan 0.000 0.502 241 M N 1.021 120.665 119.600 0.073 0.000 2.813 241 M HA 0.801 5.257 4.480 -0.041 0.000 0.270 241 M C -0.991 175.377 176.300 0.113 0.000 1.267 241 M CA -0.750 54.596 55.300 0.078 0.000 0.822 241 M CB 1.961 34.621 32.600 0.100 0.000 1.671 241 M HN 0.744 nan 8.290 nan 0.000 0.468 242 E N 0.445 120.709 120.200 0.108 0.000 2.408 242 E HA 0.760 5.085 4.350 -0.041 0.000 0.275 242 E C -1.799 174.832 176.600 0.052 0.000 0.935 242 E CA -1.126 55.338 56.400 0.106 0.000 0.775 242 E CB 2.884 32.640 29.700 0.094 0.000 1.277 242 E HN 0.537 nan 8.360 nan 0.000 0.455 243 V N 1.424 121.352 119.914 0.022 0.000 2.588 243 V HA 0.352 4.447 4.120 -0.041 0.000 0.304 243 V C -0.671 175.362 176.094 -0.102 0.000 1.042 243 V CA -0.805 61.416 62.300 -0.131 0.000 0.877 243 V CB 1.780 33.466 31.823 -0.228 0.000 0.996 243 V HN 0.582 nan 8.190 nan 0.000 0.425 244 V N 6.344 126.167 119.914 -0.151 0.000 2.417 244 V HA 0.522 4.617 4.120 -0.041 0.000 0.291 244 V C -0.291 175.694 176.094 -0.182 0.000 1.024 244 V CA -0.481 61.755 62.300 -0.107 0.000 0.861 244 V CB 1.612 33.416 31.823 -0.031 0.000 0.985 244 V HN 0.624 nan 8.190 nan 0.000 0.436 245 L N 5.956 127.070 121.223 -0.181 0.000 2.322 245 L HA 0.721 5.037 4.340 -0.041 0.000 0.281 245 L C -0.129 176.546 176.870 -0.325 0.000 1.014 245 L CA -0.384 54.290 54.840 -0.276 0.000 0.815 245 L CB 1.712 43.619 42.059 -0.253 0.000 1.247 245 L HN 0.811 nan 8.230 nan 0.000 0.421 246 Q N 2.630 122.152 119.800 -0.464 0.000 2.495 246 Q HA 0.492 4.807 4.340 -0.041 0.000 0.287 246 Q C -2.676 172.884 176.000 -0.732 0.000 1.078 246 Q CA -1.980 53.317 55.803 -0.844 0.000 0.793 246 Q CB 2.693 30.773 28.738 -1.095 0.000 1.459 246 Q HN 0.188 nan 8.270 nan 0.000 0.422 247 P HA 0.045 nan 4.420 nan 0.000 0.245 247 P C 0.860 177.963 177.300 -0.327 0.000 1.212 247 P CA 0.983 63.793 63.100 -0.483 0.000 0.774 247 P CB 0.010 31.470 31.700 -0.400 0.000 0.999 248 A N 1.032 123.647 122.820 -0.342 0.000 1.929 248 A HA -0.153 4.143 4.320 -0.041 0.000 0.221 248 A C -0.771 176.721 177.584 -0.153 0.000 1.211 248 A CA 1.506 53.420 52.037 -0.206 0.000 0.657 248 A CB -2.557 16.327 19.000 -0.192 0.000 0.827 248 A HN 0.296 nan 8.150 nan 0.000 0.462 249 P HA 0.579 nan 4.420 nan 0.000 0.281 249 P C -0.687 176.479 177.300 -0.223 0.000 1.249 249 P CA 0.269 63.235 63.100 -0.224 0.000 0.810 249 P CB 1.524 33.107 31.700 -0.194 0.000 1.008 250 A N 2.036 124.688 122.820 -0.280 0.000 2.612 250 A HA 0.735 5.030 4.320 -0.041 0.000 0.293 250 A C -1.624 175.774 177.584 -0.310 0.000 1.075 250 A CA -0.656 51.227 52.037 -0.257 0.000 0.680 250 A CB 1.207 20.080 19.000 -0.212 0.000 1.279 250 A HN 0.596 nan 8.150 nan 0.000 0.411 251 I N 0.343 120.732 120.570 -0.301 0.000 2.647 251 I HA 0.743 4.888 4.170 -0.041 0.000 0.295 251 I C -1.065 174.910 176.117 -0.236 0.000 1.078 251 I CA -0.108 60.978 61.300 -0.356 0.000 1.048 251 I CB 2.385 40.044 38.000 -0.568 0.000 1.239 251 I HN 0.597 nan 8.210 nan 0.000 0.421 252 T N 5.907 120.332 114.554 -0.215 0.000 2.824 252 T HA 0.491 4.817 4.350 -0.041 0.000 0.282 252 T C -1.268 173.361 174.700 -0.117 0.000 0.993 252 T CA -0.169 61.885 62.100 -0.077 0.000 0.967 252 T CB 0.854 69.712 68.868 -0.016 0.000 0.960 252 T HN 0.330 nan 8.240 nan 0.000 0.441 253 Y N 1.839 122.175 120.300 0.060 0.000 2.342 253 Y HA 0.601 5.126 4.550 -0.042 0.000 0.334 253 Y C 0.725 176.607 175.900 -0.030 0.000 1.067 253 Y CA -0.837 57.304 58.100 0.068 0.000 1.128 253 Y CB 1.368 39.950 38.460 0.203 0.000 1.200 253 Y HN 0.351 nan 8.280 nan 0.000 0.464 254 R N 2.231 122.756 120.500 0.041 0.000 2.507 254 R HA 0.408 4.724 4.340 -0.041 0.000 0.298 254 R C -1.299 174.889 176.300 -0.187 0.000 1.087 254 R CA -0.214 55.756 56.100 -0.216 0.000 0.917 254 R CB 1.302 31.476 30.300 -0.210 0.000 1.173 254 R HN 0.762 nan 8.270 nan 0.000 0.472 255 T N 3.069 117.463 114.554 -0.267 0.000 2.930 255 T HA 0.422 4.747 4.350 -0.041 0.000 0.290 255 T C 0.747 175.336 174.700 -0.185 0.000 1.052 255 T CA -0.847 61.158 62.100 -0.157 0.000 1.017 255 T CB 1.029 69.828 68.868 -0.115 0.000 1.137 255 T HN 0.638 nan 8.240 nan 0.000 0.511 256 I N 0.134 120.662 120.570 -0.070 0.000 3.927 256 I HA 0.696 4.841 4.170 -0.041 0.000 0.332 256 I C 0.511 176.710 176.117 0.137 0.000 1.485 256 I CA -0.548 60.783 61.300 0.052 0.000 1.131 256 I CB -0.114 37.956 38.000 0.117 0.000 1.092 256 I HN 0.649 nan 8.210 nan 0.000 0.410 257 G N -0.339 108.489 108.800 0.046 0.000 2.427 257 G HA2 0.512 4.447 3.960 -0.041 0.000 0.306 257 G HA3 0.512 4.447 3.960 -0.041 0.000 0.306 257 G C -0.097 174.837 174.900 0.055 0.000 1.280 257 G CA -0.043 45.139 45.100 0.136 0.000 0.837 257 G HN 0.621 nan 8.290 nan 0.000 0.482 258 G N -0.673 108.218 108.800 0.153 0.000 2.566 258 G HA2 0.183 4.118 3.960 -0.041 0.000 0.280 258 G HA3 0.183 4.118 3.960 -0.041 0.000 0.280 258 G C 0.323 175.231 174.900 0.013 0.000 1.225 258 G CA 1.354 46.559 45.100 0.175 0.000 0.966 258 G HN 2.189 nan 8.290 nan 0.000 0.560 259 I N -2.949 117.588 120.570 -0.056 0.000 3.145 259 I HA 0.775 4.921 4.170 -0.041 0.000 0.313 259 I C -0.178 175.791 176.117 -0.247 0.000 1.122 259 I CA -1.498 59.732 61.300 -0.116 0.000 0.987 259 I CB 2.065 40.061 38.000 -0.006 0.000 1.236 259 I HN 0.537 nan 8.210 nan 0.000 0.453 260 L N 2.752 123.831 121.223 -0.240 0.000 2.268 260 L HA 0.387 4.702 4.340 -0.041 0.000 0.289 260 L C -0.960 175.653 176.870 -0.429 0.000 1.064 260 L CA 0.108 54.736 54.840 -0.353 0.000 0.824 260 L CB 0.231 42.253 42.059 -0.062 0.000 1.202 260 L HN 0.570 nan 8.230 nan 0.000 0.433 261 D N 4.009 124.001 120.400 -0.679 0.000 2.440 261 D HA 0.340 4.955 4.640 -0.041 0.000 0.252 261 D C -1.126 174.678 176.300 -0.827 0.000 1.180 261 D CA -0.214 53.433 54.000 -0.588 0.000 0.894 261 D CB 0.714 41.311 40.800 -0.338 0.000 1.111 261 D HN 0.001 nan 8.370 nan 0.000 0.544 262 F N 2.593 121.987 119.950 -0.927 0.000 2.480 262 F HA 0.493 4.995 4.527 -0.040 0.000 0.329 262 F C -0.383 174.872 175.800 -0.908 0.000 1.091 262 F CA -0.583 56.842 58.000 -0.959 0.000 0.972 262 F CB 1.422 39.527 39.000 -1.492 0.000 1.150 262 F HN 0.185 nan 8.300 nan 0.000 0.467 263 Y N 1.222 121.373 120.300 -0.248 0.000 2.446 263 Y HA 0.710 5.235 4.550 -0.042 0.000 0.345 263 Y C -0.723 174.852 175.900 -0.542 0.000 0.984 263 Y CA -1.141 56.712 58.100 -0.413 0.000 1.058 263 Y CB 2.089 40.308 38.460 -0.403 0.000 1.220 263 Y HN 0.187 nan 8.280 nan 0.000 0.455 264 V N 3.919 123.550 119.914 -0.471 0.000 2.588 264 V HA 0.493 4.588 4.120 -0.041 0.000 0.304 264 V C -1.161 174.693 176.094 -0.400 0.000 1.042 264 V CA -1.106 61.026 62.300 -0.280 0.000 0.877 264 V CB 1.543 33.333 31.823 -0.054 0.000 0.996 264 V HN 0.502 nan 8.190 nan 0.000 0.425 265 F N 4.593 124.668 119.950 0.209 0.000 2.540 265 F HA 0.779 5.281 4.527 -0.042 0.000 0.317 265 F C -0.446 175.478 175.800 0.206 0.000 1.104 265 F CA -0.772 57.337 58.000 0.183 0.000 0.913 265 F CB 1.804 40.925 39.000 0.202 0.000 1.170 265 F HN 0.180 nan 8.300 nan 0.000 0.450 266 L N 1.767 123.196 121.223 0.344 0.000 2.342 266 L HA 0.948 5.264 4.340 -0.041 0.000 0.271 266 L C 0.125 177.126 176.870 0.218 0.000 1.008 266 L CA -0.277 54.732 54.840 0.281 0.000 0.818 266 L CB 2.155 44.355 42.059 0.235 0.000 1.296 266 L HN 0.776 nan 8.230 nan 0.000 0.427 267 G N 0.208 109.103 108.800 0.158 0.000 2.695 267 G HA2 0.293 4.229 3.960 -0.041 0.000 0.290 267 G HA3 0.293 4.229 3.960 -0.041 0.000 0.290 267 G C -0.209 174.712 174.900 0.035 0.000 1.410 267 G CA -0.480 44.671 45.100 0.085 0.000 0.844 267 G HN 0.428 nan 8.290 nan 0.000 0.478 268 N N -0.490 118.211 118.700 0.002 0.000 2.463 268 N HA 0.087 4.802 4.740 -0.041 0.000 0.181 268 N C 0.754 176.178 175.510 -0.144 0.000 1.078 268 N CA 1.128 54.157 53.050 -0.036 0.000 0.902 268 N CB 0.437 38.920 38.487 -0.006 0.000 0.970 268 N HN 0.785 nan 8.380 nan 0.000 0.451 269 T N -4.449 110.001 114.554 -0.174 0.000 2.843 269 T HA 0.366 4.691 4.350 -0.041 0.000 0.302 269 T C -2.506 172.033 174.700 -0.269 0.000 1.232 269 T CA -1.550 60.342 62.100 -0.347 0.000 1.009 269 T CB 2.441 71.164 68.868 -0.243 0.000 1.254 269 T HN -0.369 nan 8.240 nan 0.000 0.504 270 P HA -0.074 nan 4.420 nan 0.000 0.215 270 P C 1.529 178.607 177.300 -0.369 0.000 1.153 270 P CA 0.996 63.826 63.100 -0.451 0.000 0.853 270 P CB 0.128 31.295 31.700 -0.888 0.000 0.788 271 E N -0.213 119.826 120.200 -0.268 0.000 2.118 271 E HA -0.215 4.111 4.350 -0.041 0.000 0.195 271 E C 2.067 178.633 176.600 -0.058 0.000 0.992 271 E CA 1.224 57.581 56.400 -0.071 0.000 0.804 271 E CB -0.508 29.204 29.700 0.019 0.000 0.741 271 E HN 0.467 nan 8.360 nan 0.000 0.458 272 Q N 0.212 119.975 119.800 -0.061 0.000 2.124 272 Q HA -0.105 4.211 4.340 -0.041 0.000 0.202 272 Q C 2.382 178.370 176.000 -0.020 0.000 0.977 272 Q CA 1.121 56.904 55.803 -0.033 0.000 0.850 272 Q CB -0.003 28.727 28.738 -0.014 0.000 0.901 272 Q HN 0.106 nan 8.270 nan 0.000 0.429 273 V N 0.207 120.116 119.914 -0.009 0.000 2.287 273 V HA -0.265 3.831 4.120 -0.041 0.000 0.248 273 V C 2.256 178.334 176.094 -0.027 0.000 1.053 273 V CA 1.641 63.968 62.300 0.045 0.000 1.027 273 V CB -0.607 31.268 31.823 0.088 0.000 0.646 273 V HN 0.197 nan 8.190 nan 0.000 0.447 274 V N -0.338 119.562 119.914 -0.022 0.000 2.287 274 V HA -0.365 3.730 4.120 -0.041 0.000 0.248 274 V C 2.470 178.444 176.094 -0.199 0.000 1.053 274 V CA 2.288 64.531 62.300 -0.094 0.000 1.027 274 V CB -0.910 30.910 31.823 -0.005 0.000 0.646 274 V HN 0.586 nan 8.190 nan 0.000 0.447 275 Q N -0.536 119.174 119.800 -0.150 0.000 2.096 275 Q HA -0.225 4.090 4.340 -0.041 0.000 0.204 275 Q C 2.382 178.253 176.000 -0.215 0.000 0.982 275 Q CA 1.650 57.347 55.803 -0.176 0.000 0.850 275 Q CB -0.211 28.457 28.738 -0.115 0.000 0.901 275 Q HN 0.624 nan 8.270 nan 0.000 0.422 276 E N -0.037 120.052 120.200 -0.185 0.000 2.072 276 E HA -0.183 4.143 4.350 -0.041 0.000 0.191 276 E C 1.795 178.073 176.600 -0.537 0.000 0.985 276 E CA 0.905 57.198 56.400 -0.179 0.000 0.801 276 E CB -0.350 29.375 29.700 0.041 0.000 0.750 276 E HN 0.408 nan 8.360 nan 0.000 0.452 277 Y N 1.705 121.350 120.300 -1.092 0.000 2.128 277 Y HA -0.166 4.359 4.550 -0.042 0.000 0.284 277 Y C 2.141 177.503 175.900 -0.896 0.000 1.154 277 Y CA 1.392 58.571 58.100 -1.536 0.000 1.149 277 Y CB -0.494 36.984 38.460 -1.638 0.000 0.976 277 Y HN -0.074 nan 8.280 nan 0.000 0.505 278 L N 0.024 120.755 121.223 -0.820 0.000 2.217 278 L HA -0.096 4.219 4.340 -0.041 0.000 0.211 278 L C 2.349 178.897 176.870 -0.537 0.000 1.107 278 L CA 1.379 55.765 54.840 -0.757 0.000 0.783 278 L CB -0.604 41.136 42.059 -0.533 0.000 0.919 278 L HN 0.173 nan 8.230 nan 0.000 0.442 279 E N 1.247 121.213 120.200 -0.390 0.000 2.110 279 E HA -0.247 4.078 4.350 -0.041 0.000 0.193 279 E C 1.983 178.477 176.600 -0.178 0.000 0.988 279 E CA 1.359 57.623 56.400 -0.227 0.000 0.804 279 E CB -0.197 29.421 29.700 -0.136 0.000 0.745 279 E HN 0.311 nan 8.360 nan 0.000 0.458 280 L N 0.557 121.622 121.223 -0.263 0.000 1.973 280 L HA -0.008 4.307 4.340 -0.041 0.000 0.208 280 L C 2.317 179.013 176.870 -0.290 0.000 1.073 280 L CA 2.148 56.843 54.840 -0.241 0.000 0.746 280 L CB -0.582 41.342 42.059 -0.226 0.000 0.891 280 L HN 0.429 nan 8.230 nan 0.000 0.433 281 I N -2.037 118.167 120.570 -0.612 0.000 3.251 281 I HA 0.428 4.574 4.170 -0.041 0.000 0.277 281 I C 0.739 176.575 176.117 -0.469 0.000 1.268 281 I CA 0.324 61.265 61.300 -0.598 0.000 1.449 281 I CB -0.634 36.771 38.000 -0.992 0.000 1.083 281 I HN 0.332 nan 8.210 nan 0.000 0.464 282 G N 1.762 110.139 108.800 -0.704 0.000 3.400 282 G HA2 -0.061 3.874 3.960 -0.041 0.000 0.679 282 G HA3 -0.061 3.874 3.960 -0.041 0.000 0.679 282 G C -0.625 173.899 174.900 -0.628 0.000 1.239 282 G CA -1.007 43.486 45.100 -1.012 0.000 1.049 282 G HN 0.293 nan 8.290 nan 0.000 0.539 283 R N 3.261 123.438 120.500 -0.538 0.000 2.641 283 R HA 0.408 4.724 4.340 -0.041 0.000 0.269 283 R C -1.767 174.353 176.300 -0.301 0.000 1.074 283 R CA -1.076 54.781 56.100 -0.405 0.000 1.133 283 R CB 0.678 30.731 30.300 -0.412 0.000 1.029 283 R HN 0.422 nan 8.270 nan 0.000 0.488 284 P HA -0.001 nan 4.420 nan 0.000 0.269 284 P C -0.807 176.509 177.300 0.026 0.000 1.209 284 P CA -0.096 62.951 63.100 -0.088 0.000 0.776 284 P CB 0.619 32.307 31.700 -0.020 0.000 0.876 285 A N 3.322 126.115 122.820 -0.045 0.000 2.561 285 A HA 0.064 4.359 4.320 -0.041 0.000 0.234 285 A C 0.234 177.734 177.584 -0.139 0.000 1.055 285 A CA -0.153 51.833 52.037 -0.086 0.000 0.756 285 A CB -0.548 18.367 19.000 -0.141 0.000 0.986 285 A HN 0.624 nan 8.150 nan 0.000 0.505 286 L N 5.290 126.257 121.223 -0.426 0.000 2.361 286 L HA 0.381 4.697 4.340 -0.041 0.000 0.278 286 L C -1.742 174.974 176.870 -0.256 0.000 1.113 286 L CA -1.248 53.371 54.840 -0.368 0.000 0.849 286 L CB 0.398 42.119 42.059 -0.564 0.000 1.155 286 L HN 0.532 nan 8.230 nan 0.000 0.452 287 P HA 0.155 nan 4.420 nan 0.000 0.274 287 P C -0.714 176.432 177.300 -0.258 0.000 1.246 287 P CA -0.505 62.410 63.100 -0.309 0.000 0.795 287 P CB 0.657 32.047 31.700 -0.517 0.000 1.006 288 S N 0.380 115.829 115.700 -0.418 0.000 2.560 288 S HA -0.023 4.422 4.470 -0.041 0.000 0.284 288 S C 1.008 175.308 174.600 -0.500 0.000 1.327 288 S CA -0.173 57.713 58.200 -0.523 0.000 1.055 288 S CB -0.283 62.265 63.200 -1.086 0.000 0.868 288 S HN 0.473 nan 8.310 nan 0.000 0.506 289 Y N 3.031 123.032 120.300 -0.498 0.000 2.274 289 Y HA -0.164 4.362 4.550 -0.041 0.000 0.290 289 Y C 2.000 177.686 175.900 -0.357 0.000 1.145 289 Y CA 1.732 59.502 58.100 -0.550 0.000 1.203 289 Y CB -0.055 37.964 38.460 -0.736 0.000 0.984 289 Y HN 0.919 nan 8.280 nan 0.000 0.533 290 W N -0.612 120.639 121.300 -0.082 0.000 2.421 290 W HA -0.058 4.577 4.660 -0.042 0.000 0.270 290 W C 1.769 178.148 176.519 -0.233 0.000 1.233 290 W CA 0.846 58.108 57.345 -0.138 0.000 1.226 290 W CB -1.087 28.288 29.460 -0.141 0.000 1.121 290 W HN 0.190 nan 8.180 nan 0.000 0.579 291 A N 1.654 124.106 122.820 -0.614 0.000 2.119 291 A HA 0.012 4.308 4.320 -0.041 0.000 0.217 291 A C 2.133 179.640 177.584 -0.129 0.000 1.153 291 A CA 0.903 52.622 52.037 -0.529 0.000 0.692 291 A CB -0.832 17.698 19.000 -0.784 0.000 0.799 291 A HN 0.376 nan 8.150 nan 0.000 0.458 292 L N -0.675 120.389 121.223 -0.265 0.000 2.478 292 L HA 0.072 4.387 4.340 -0.041 0.000 0.223 292 L C 1.804 178.595 176.870 -0.132 0.000 1.140 292 L CA 0.052 54.756 54.840 -0.227 0.000 0.842 292 L CB -0.635 41.153 42.059 -0.452 0.000 0.953 292 L HN 0.442 nan 8.230 nan 0.000 0.452 293 G N -0.640 108.091 108.800 -0.114 0.000 2.553 293 G HA2 0.115 4.051 3.960 -0.041 0.000 0.278 293 G HA3 0.115 4.051 3.960 -0.041 0.000 0.278 293 G C -0.879 174.197 174.900 0.293 0.000 1.349 293 G CA -0.468 44.622 45.100 -0.016 0.000 1.037 293 G HN -0.077 nan 8.290 nan 0.000 0.508 294 F N 0.329 120.481 119.950 0.337 0.000 2.427 294 F HA 0.490 4.993 4.527 -0.040 0.000 0.352 294 F C -0.084 175.832 175.800 0.193 0.000 1.100 294 F CA -0.866 57.291 58.000 0.261 0.000 1.191 294 F CB 0.666 39.803 39.000 0.229 0.000 1.128 294 F HN 0.326 nan 8.300 nan 0.000 0.533 295 H N 5.396 124.029 119.070 -0.728 0.000 2.472 295 H HA 0.626 5.158 4.556 -0.041 0.000 0.338 295 H C -1.114 173.631 175.328 -0.971 0.000 1.133 295 H CA -0.791 54.922 56.048 -0.560 0.000 1.216 295 H CB 1.651 31.148 29.762 -0.440 0.000 1.497 295 H HN 0.637 nan 8.280 nan 0.000 0.500 296 L N 1.272 122.305 121.223 -0.317 0.000 2.354 296 L HA 0.721 5.036 4.340 -0.041 0.000 0.269 296 L C -0.479 176.414 176.870 0.038 0.000 1.005 296 L CA -0.148 54.545 54.840 -0.245 0.000 0.819 296 L CB 1.978 43.916 42.059 -0.202 0.000 1.311 296 L HN 0.659 nan 8.230 nan 0.000 0.423 297 S N 2.982 118.745 115.700 0.106 0.000 2.567 297 S HA 0.904 5.349 4.470 -0.041 0.000 0.270 297 S C -1.634 173.186 174.600 0.367 0.000 1.152 297 S CA -0.661 57.721 58.200 0.304 0.000 0.835 297 S CB 1.336 64.513 63.200 -0.039 0.000 1.115 297 S HN 0.923 nan 8.310 nan 0.000 0.459 298 R N 1.525 122.198 120.500 0.287 0.000 2.692 298 R HA 0.385 4.701 4.340 -0.041 0.000 0.269 298 R C -1.892 174.519 176.300 0.184 0.000 1.030 298 R CA -1.011 55.115 56.100 0.042 0.000 0.882 298 R CB 0.524 30.568 30.300 -0.425 0.000 1.250 298 R HN 0.662 nan 8.270 nan 0.000 0.465 299 Y N 2.629 122.968 120.300 0.064 0.000 2.393 299 Y HA 0.102 4.627 4.550 -0.042 0.000 0.338 299 Y C -0.321 175.505 175.900 -0.122 0.000 1.029 299 Y CA -0.100 58.044 58.100 0.074 0.000 1.239 299 Y CB 0.680 39.232 38.460 0.153 0.000 1.170 299 Y HN 0.809 nan 8.280 nan 0.000 0.515 300 E N 4.803 124.990 120.200 -0.022 0.000 2.326 300 E HA -0.295 4.030 4.350 -0.041 0.000 0.195 300 E C -0.247 176.267 176.600 -0.144 0.000 1.367 300 E CA 0.653 56.950 56.400 -0.173 0.000 0.666 300 E CB -1.648 27.777 29.700 -0.459 0.000 1.147 300 E HN 0.938 nan 8.360 nan 0.000 0.384 301 Y N -0.012 120.347 120.300 0.098 0.000 2.207 301 Y HA -0.227 4.299 4.550 -0.041 0.000 0.287 301 Y C 2.457 178.372 175.900 0.024 0.000 1.156 301 Y CA 2.129 60.272 58.100 0.072 0.000 1.182 301 Y CB -0.129 38.409 38.460 0.129 0.000 0.979 301 Y HN 0.644 nan 8.280 nan 0.000 0.521 302 G N -1.099 107.846 108.800 0.242 0.000 2.527 302 G HA2 -0.283 3.653 3.960 -0.041 0.000 0.218 302 G HA3 -0.283 3.653 3.960 -0.041 0.000 0.218 302 G C 0.452 175.431 174.900 0.133 0.000 1.177 302 G CA 0.424 45.603 45.100 0.132 0.000 0.695 302 G HN 0.649 nan 8.290 nan 0.000 0.517 303 T N -1.987 112.519 114.554 -0.080 0.000 2.896 303 T HA 0.667 4.992 4.350 -0.041 0.000 0.297 303 T C 0.955 175.079 174.700 -0.961 0.000 1.108 303 T CA 0.203 61.992 62.100 -0.518 0.000 1.004 303 T CB 2.111 70.791 68.868 -0.313 0.000 1.159 303 T HN 1.040 nan 8.240 nan 0.000 0.499 304 L N 1.075 121.362 121.223 -1.560 0.000 2.083 304 L HA 0.044 4.359 4.340 -0.041 0.000 0.209 304 L C 1.825 178.318 176.870 -0.629 0.000 1.083 304 L CA 2.013 56.136 54.840 -1.195 0.000 0.752 304 L CB -1.104 40.394 42.059 -0.935 0.000 0.899 304 L HN 0.778 nan 8.230 nan 0.000 0.433 305 D N -0.414 119.724 120.400 -0.437 0.000 2.123 305 D HA -0.180 4.435 4.640 -0.041 0.000 0.196 305 D C 1.893 178.068 176.300 -0.208 0.000 0.992 305 D CA 1.218 55.066 54.000 -0.253 0.000 0.833 305 D CB -0.228 40.468 40.800 -0.174 0.000 0.954 305 D HN 0.381 nan 8.370 nan 0.000 0.455 306 N N 0.133 118.713 118.700 -0.200 0.000 2.142 306 N HA -0.105 4.610 4.740 -0.041 0.000 0.186 306 N C 1.812 177.245 175.510 -0.128 0.000 1.023 306 N CA 0.472 53.471 53.050 -0.084 0.000 0.852 306 N CB -0.370 38.127 38.487 0.016 0.000 0.998 306 N HN 0.269 nan 8.380 nan 0.000 0.424 307 M N 0.819 120.213 119.600 -0.343 0.000 2.086 307 M HA -0.140 4.315 4.480 -0.041 0.000 0.261 307 M C 2.238 178.297 176.300 -0.403 0.000 1.067 307 M CA 1.442 56.311 55.300 -0.719 0.000 1.116 307 M CB 0.034 32.156 32.600 -0.797 0.000 1.348 307 M HN 0.003 nan 8.290 nan 0.000 0.407 308 R N 0.215 120.508 120.500 -0.346 0.000 2.096 308 R HA -0.225 4.090 4.340 -0.041 0.000 0.235 308 R C 2.041 178.336 176.300 -0.008 0.000 1.127 308 R CA 2.115 58.154 56.100 -0.100 0.000 0.968 308 R CB -0.455 29.787 30.300 -0.097 0.000 0.861 308 R HN 0.615 nan 8.270 nan 0.000 0.440 309 E N -0.061 120.113 120.200 -0.044 0.000 2.077 309 E HA -0.149 4.177 4.350 -0.041 0.000 0.193 309 E C 1.831 178.458 176.600 0.045 0.000 0.989 309 E CA 1.449 57.851 56.400 0.004 0.000 0.800 309 E CB 0.118 29.814 29.700 -0.008 0.000 0.746 309 E HN 0.246 nan 8.360 nan 0.000 0.452 310 V N 0.641 120.583 119.914 0.045 0.000 2.295 310 V HA -0.247 3.848 4.120 -0.041 0.000 0.246 310 V C 2.484 178.671 176.094 0.154 0.000 1.049 310 V CA 1.483 63.848 62.300 0.107 0.000 1.024 310 V CB -0.355 31.575 31.823 0.179 0.000 0.648 310 V HN 0.212 nan 8.190 nan 0.000 0.447 311 V N -0.193 119.832 119.914 0.184 0.000 2.287 311 V HA -0.247 3.849 4.120 -0.041 0.000 0.248 311 V C 2.629 178.890 176.094 0.277 0.000 1.053 311 V CA 2.046 64.552 62.300 0.343 0.000 1.027 311 V CB -0.633 31.388 31.823 0.330 0.000 0.646 311 V HN 0.539 nan 8.190 nan 0.000 0.447 312 E N 0.359 120.658 120.200 0.166 0.000 2.107 312 E HA -0.184 4.142 4.350 -0.041 0.000 0.191 312 E C 2.356 179.022 176.600 0.111 0.000 0.982 312 E CA 1.349 57.820 56.400 0.119 0.000 0.809 312 E CB -0.338 29.409 29.700 0.078 0.000 0.756 312 E HN 0.784 nan 8.360 nan 0.000 0.459 313 R N 0.699 121.261 120.500 0.104 0.000 2.115 313 R HA 0.056 4.371 4.340 -0.041 0.000 0.226 313 R C 1.740 178.101 176.300 0.102 0.000 1.100 313 R CA 1.175 57.326 56.100 0.085 0.000 0.980 313 R CB -0.295 30.045 30.300 0.066 0.000 0.875 313 R HN 0.036 nan 8.270 nan 0.000 0.445 314 N N 1.046 119.831 118.700 0.141 0.000 2.216 314 N HA -0.058 4.657 4.740 -0.041 0.000 0.183 314 N C 1.766 177.408 175.510 0.220 0.000 1.017 314 N CA 0.990 54.127 53.050 0.145 0.000 0.861 314 N CB -0.102 38.406 38.487 0.036 0.000 0.986 314 N HN 0.342 nan 8.380 nan 0.000 0.428 315 R N 1.067 121.728 120.500 0.268 0.000 2.081 315 R HA 0.002 4.317 4.340 -0.041 0.000 0.235 315 R C 2.277 178.633 176.300 0.095 0.000 1.131 315 R CA 1.221 57.425 56.100 0.174 0.000 0.960 315 R CB -0.315 30.051 30.300 0.110 0.000 0.856 315 R HN 0.158 nan 8.270 nan 0.000 0.436 316 A N 1.234 124.103 122.820 0.081 0.000 1.978 316 A HA -0.110 4.185 4.320 -0.041 0.000 0.220 316 A C 2.220 179.830 177.584 0.043 0.000 1.170 316 A CA 1.703 53.771 52.037 0.051 0.000 0.636 316 A CB -0.458 18.570 19.000 0.046 0.000 0.810 316 A HN 0.403 nan 8.150 nan 0.000 0.448 317 A N -2.074 120.777 122.820 0.053 0.000 2.235 317 A HA 0.179 4.475 4.320 -0.041 0.000 0.208 317 A C 0.881 178.479 177.584 0.022 0.000 1.172 317 A CA 0.995 53.053 52.037 0.036 0.000 0.786 317 A CB -0.178 18.845 19.000 0.038 0.000 0.804 317 A HN 0.475 nan 8.150 nan 0.000 0.479 318 Q N -2.352 117.467 119.800 0.032 0.000 2.487 318 Q HA -0.200 4.115 4.340 -0.041 0.000 0.279 318 Q C -0.315 175.678 176.000 -0.011 0.000 1.228 318 Q CA 0.665 56.475 55.803 0.012 0.000 0.873 318 Q CB -2.501 26.234 28.738 -0.005 0.000 1.260 318 Q HN 0.562 nan 8.270 nan 0.000 0.471 319 L N 1.511 122.746 121.223 0.020 0.000 2.410 319 L HA 0.290 4.605 4.340 -0.041 0.000 0.273 319 L C -1.903 174.948 176.870 -0.032 0.000 1.152 319 L CA -1.095 53.725 54.840 -0.033 0.000 0.855 319 L CB 0.542 42.590 42.059 -0.017 0.000 1.129 319 L HN -0.138 nan 8.230 nan 0.000 0.463 320 P HA 0.091 nan 4.420 nan 0.000 0.267 320 P C -1.784 175.528 177.300 0.021 0.000 1.209 320 P CA 0.407 63.258 63.100 -0.416 0.000 0.763 320 P CB 0.200 31.249 31.700 -1.085 0.000 0.816 321 Y N 2.577 122.917 120.300 0.067 0.000 2.265 321 Y HA 0.204 4.729 4.550 -0.041 0.000 0.324 321 Y C -0.597 175.403 175.900 0.168 0.000 1.197 321 Y CA -0.911 57.341 58.100 0.253 0.000 1.318 321 Y CB 0.278 38.865 38.460 0.211 0.000 1.223 321 Y HN 0.254 nan 8.280 nan 0.000 0.419 322 D N 2.616 123.208 120.400 0.319 0.000 2.338 322 D HA 0.279 4.895 4.640 -0.041 0.000 0.208 322 D C -0.418 175.815 176.300 -0.111 0.000 0.997 322 D CA 1.128 55.171 54.000 0.072 0.000 0.880 322 D CB 0.881 41.760 40.800 0.132 0.000 0.980 322 D HN 0.157 nan 8.370 nan 0.000 0.509 323 V N 0.909 120.793 119.914 -0.050 0.000 2.709 323 V HA 0.462 4.558 4.120 -0.041 0.000 0.308 323 V C -0.849 175.365 176.094 0.200 0.000 1.062 323 V CA -0.957 61.292 62.300 -0.084 0.000 0.901 323 V CB 1.943 33.574 31.823 -0.320 0.000 1.003 323 V HN -0.157 nan 8.190 nan 0.000 0.425 324 Q N 2.636 122.560 119.800 0.207 0.000 2.333 324 Q HA 0.470 4.786 4.340 -0.041 0.000 0.267 324 Q C -1.011 175.262 176.000 0.456 0.000 1.012 324 Q CA -0.271 55.768 55.803 0.395 0.000 0.824 324 Q CB 1.325 30.260 28.738 0.328 0.000 1.290 324 Q HN 0.840 nan 8.270 nan 0.000 0.449 325 H N 1.405 120.662 119.070 0.312 0.000 2.479 325 H HA 0.781 5.312 4.556 -0.042 0.000 0.335 325 H C -1.045 174.579 175.328 0.494 0.000 1.142 325 H CA -0.942 55.331 56.048 0.375 0.000 1.234 325 H CB 1.880 31.795 29.762 0.254 0.000 1.503 325 H HN 0.714 nan 8.280 nan 0.000 0.510 326 A N 3.194 126.374 122.820 0.600 0.000 2.291 326 A HA 0.178 4.474 4.320 -0.041 0.000 0.311 326 A C -0.312 177.632 177.584 0.598 0.000 1.224 326 A CA -0.709 51.671 52.037 0.573 0.000 0.821 326 A CB 0.878 20.141 19.000 0.438 0.000 1.172 326 A HN 0.713 nan 8.150 nan 0.000 0.494 327 D N 1.392 122.098 120.400 0.511 0.000 2.478 327 D HA 0.221 4.836 4.640 -0.041 0.000 0.274 327 D C 1.752 178.048 176.300 -0.007 0.000 1.234 327 D CA -0.221 53.916 54.000 0.228 0.000 1.069 327 D CB 0.709 41.709 40.800 0.334 0.000 1.113 327 D HN 0.506 nan 8.370 nan 0.000 0.571 328 I N -1.201 119.216 120.570 -0.255 0.000 2.916 328 I HA -0.128 4.017 4.170 -0.041 0.000 0.267 328 I C 1.099 176.962 176.117 -0.424 0.000 1.263 328 I CA 0.701 61.713 61.300 -0.480 0.000 1.471 328 I CB -0.436 37.231 38.000 -0.554 0.000 1.089 328 I HN 0.159 nan 8.210 nan 0.000 0.468 329 D N 2.102 122.384 120.400 -0.197 0.000 2.265 329 D HA -0.303 4.313 4.640 -0.041 0.000 0.208 329 D C 1.982 177.952 176.300 -0.550 0.000 0.977 329 D CA 1.568 55.465 54.000 -0.172 0.000 0.871 329 D CB -0.943 39.910 40.800 0.089 0.000 0.925 329 D HN 0.772 nan 8.370 nan 0.000 0.485 330 Y N 0.223 120.014 120.300 -0.848 0.000 2.439 330 Y HA 0.207 4.734 4.550 -0.039 0.000 0.292 330 Y C 1.317 176.855 175.900 -0.604 0.000 1.130 330 Y CA -0.591 56.598 58.100 -1.517 0.000 1.254 330 Y CB -0.612 37.131 38.460 -1.194 0.000 1.000 330 Y HN -0.207 nan 8.280 nan 0.000 0.554 331 M N 1.385 120.511 119.600 -0.790 0.000 2.202 331 M HA 0.043 4.498 4.480 -0.041 0.000 0.316 331 M C -0.345 175.844 176.300 -0.186 0.000 1.138 331 M CA -0.159 54.860 55.300 -0.468 0.000 1.151 331 M CB 0.281 32.522 32.600 -0.599 0.000 1.422 331 M HN 0.030 nan 8.290 nan 0.000 0.471 332 D N 2.529 122.877 120.400 -0.086 0.000 2.402 332 D HA 0.022 4.638 4.640 -0.041 0.000 0.235 332 D C -0.350 175.886 176.300 -0.106 0.000 1.226 332 D CA 0.474 54.439 54.000 -0.057 0.000 0.918 332 D CB 0.145 40.930 40.800 -0.024 0.000 1.043 332 D HN 0.486 nan 8.370 nan 0.000 0.506 333 E N 3.222 123.365 120.200 -0.095 0.000 2.389 333 E HA -0.292 4.034 4.350 -0.041 0.000 0.243 333 E C 0.069 176.596 176.600 -0.121 0.000 1.154 333 E CA 0.428 56.772 56.400 -0.095 0.000 0.723 333 E CB -1.302 28.343 29.700 -0.092 0.000 1.261 333 E HN 0.781 nan 8.360 nan 0.000 0.390 334 R N -1.624 118.779 120.500 -0.161 0.000 3.770 334 R HA -0.224 4.091 4.340 -0.041 0.000 0.305 334 R C 0.074 176.264 176.300 -0.182 0.000 1.184 334 R CA 1.402 57.395 56.100 -0.179 0.000 0.823 334 R CB -1.245 29.022 30.300 -0.055 0.000 1.285 334 R HN 0.276 nan 8.270 nan 0.000 0.499 335 R N 0.836 121.202 120.500 -0.223 0.000 2.460 335 R HA 0.212 4.527 4.340 -0.041 0.000 0.303 335 R C -0.262 175.927 176.300 -0.184 0.000 0.968 335 R CA -1.079 54.896 56.100 -0.209 0.000 0.889 335 R CB 1.055 31.136 30.300 -0.364 0.000 1.123 335 R HN -0.028 nan 8.270 nan 0.000 0.455 336 D N 1.993 122.288 120.400 -0.174 0.000 2.449 336 D HA -0.028 4.588 4.640 -0.041 0.000 0.236 336 D C 0.276 176.278 176.300 -0.496 0.000 1.149 336 D CA 0.735 54.393 54.000 -0.571 0.000 0.878 336 D CB 0.231 40.511 40.800 -0.867 0.000 1.198 336 D HN 0.414 nan 8.370 nan 0.000 0.446 337 F N -1.778 117.791 119.950 -0.634 0.000 3.043 337 F HA -0.244 4.258 4.527 -0.042 0.000 0.290 337 F C 0.789 176.240 175.800 -0.582 0.000 0.844 337 F CA 0.694 58.070 58.000 -1.040 0.000 1.184 337 F CB -2.687 35.972 39.000 -0.569 0.000 1.246 337 F HN 0.308 nan 8.300 nan 0.000 0.536 338 T N -2.387 112.018 114.554 -0.248 0.000 2.883 338 T HA 0.798 5.123 4.350 -0.041 0.000 0.296 338 T C -0.823 174.165 174.700 0.480 0.000 1.117 338 T CA -0.546 61.675 62.100 0.202 0.000 1.006 338 T CB 3.162 72.105 68.868 0.126 0.000 1.191 338 T HN 0.582 nan 8.240 nan 0.000 0.508 339 Y N -0.882 119.697 120.300 0.466 0.000 2.576 339 Y HA 0.728 5.254 4.550 -0.041 0.000 0.346 339 Y C -0.697 175.334 175.900 0.219 0.000 1.018 339 Y CA -1.440 56.895 58.100 0.391 0.000 1.050 339 Y CB 1.137 39.958 38.460 0.601 0.000 1.280 339 Y HN 0.608 nan 8.280 nan 0.000 0.474 340 D N 1.684 122.259 120.400 0.291 0.000 2.344 340 D HA 0.046 4.661 4.640 -0.041 0.000 0.253 340 D C 0.987 177.449 176.300 0.270 0.000 1.255 340 D CA 0.557 54.675 54.000 0.196 0.000 0.894 340 D CB 1.071 41.999 40.800 0.214 0.000 1.067 340 D HN 0.747 nan 8.370 nan 0.000 0.492 341 S N 2.090 117.843 115.700 0.088 0.000 2.507 341 S HA -0.088 4.358 4.470 -0.041 0.000 0.235 341 S C 1.605 176.287 174.600 0.136 0.000 0.988 341 S CA 0.439 58.698 58.200 0.099 0.000 0.944 341 S CB 0.139 63.329 63.200 -0.017 0.000 0.762 341 S HN 0.317 nan 8.310 nan 0.000 0.526 342 V N 1.750 121.732 119.914 0.114 0.000 2.484 342 V HA 0.038 4.133 4.120 -0.041 0.000 0.236 342 V C 2.139 178.275 176.094 0.071 0.000 1.062 342 V CA 1.387 63.734 62.300 0.078 0.000 1.081 342 V CB -0.597 31.255 31.823 0.047 0.000 0.751 342 V HN 0.332 nan 8.190 nan 0.000 0.484 343 D N -0.371 120.086 120.400 0.095 0.000 2.224 343 D HA -0.022 4.594 4.640 -0.041 0.000 0.205 343 D C 0.932 177.151 176.300 -0.135 0.000 0.965 343 D CA 1.163 55.172 54.000 0.014 0.000 0.852 343 D CB 0.018 40.877 40.800 0.100 0.000 0.947 343 D HN 0.433 nan 8.370 nan 0.000 0.494 344 F N 0.651 120.614 119.950 0.022 0.000 2.908 344 F HA 0.209 4.712 4.527 -0.040 0.000 0.328 344 F C 0.740 176.635 175.800 0.159 0.000 1.211 344 F CA -0.713 57.276 58.000 -0.018 0.000 1.291 344 F CB 0.264 39.159 39.000 -0.176 0.000 0.962 344 F HN -0.388 nan 8.300 nan 0.000 0.505 345 K N 0.467 120.992 120.400 0.209 0.000 2.416 345 K HA 0.366 4.662 4.320 -0.041 0.000 0.283 345 K C 1.189 177.891 176.600 0.169 0.000 1.037 345 K CA 1.034 57.463 56.287 0.238 0.000 0.995 345 K CB 0.293 32.871 32.500 0.131 0.000 0.938 345 K HN 0.538 nan 8.250 nan 0.000 0.475 346 G N 4.345 113.272 108.800 0.213 0.000 2.141 346 G HA2 -0.264 3.672 3.960 -0.041 0.000 0.242 346 G HA3 -0.264 3.672 3.960 -0.041 0.000 0.242 346 G C 0.381 175.381 174.900 0.166 0.000 0.982 346 G CA 0.070 45.255 45.100 0.141 0.000 0.662 346 G HN 0.688 nan 8.290 nan 0.000 0.527 347 F N 2.034 121.931 119.950 -0.087 0.000 2.087 347 F HA -0.029 4.473 4.527 -0.041 0.000 0.299 347 F C 0.479 176.192 175.800 -0.144 0.000 1.100 347 F CA 1.962 59.867 58.000 -0.158 0.000 1.226 347 F CB -1.291 37.408 39.000 -0.500 0.000 0.983 347 F HN 0.291 nan 8.300 nan 0.000 0.479 348 P HA -0.162 nan 4.420 nan 0.000 0.218 348 P C 1.326 178.535 177.300 -0.152 0.000 1.148 348 P CA 2.026 64.981 63.100 -0.241 0.000 0.822 348 P CB -0.079 31.532 31.700 -0.148 0.000 0.784 349 E N -1.694 118.482 120.200 -0.041 0.000 2.107 349 E HA -0.154 4.171 4.350 -0.041 0.000 0.191 349 E C 1.712 178.300 176.600 -0.019 0.000 0.982 349 E CA 0.667 57.052 56.400 -0.026 0.000 0.809 349 E CB -0.643 29.070 29.700 0.021 0.000 0.756 349 E HN 0.227 nan 8.360 nan 0.000 0.459 350 F N 1.129 121.020 119.950 -0.098 0.000 2.134 350 F HA -0.190 4.313 4.527 -0.041 0.000 0.299 350 F C 1.945 177.617 175.800 -0.213 0.000 1.097 350 F CA 0.921 58.866 58.000 -0.091 0.000 1.264 350 F CB -0.220 38.808 39.000 0.046 0.000 1.001 350 F HN -0.204 nan 8.300 nan 0.000 0.479 351 V N 1.110 120.771 119.914 -0.421 0.000 2.332 351 V HA -0.366 3.729 4.120 -0.041 0.000 0.248 351 V C 2.212 177.854 176.094 -0.754 0.000 1.055 351 V CA 2.261 64.127 62.300 -0.723 0.000 1.038 351 V CB -0.950 30.472 31.823 -0.669 0.000 0.651 351 V HN 0.358 nan 8.190 nan 0.000 0.450 352 N N 0.126 118.565 118.700 -0.435 0.000 2.120 352 N HA -0.167 4.549 4.740 -0.041 0.000 0.188 352 N C 1.839 177.188 175.510 -0.268 0.000 1.024 352 N CA 1.520 54.404 53.050 -0.276 0.000 0.852 352 N CB -0.312 38.078 38.487 -0.161 0.000 1.003 352 N HN 0.610 nan 8.380 nan 0.000 0.424 353 E N 0.497 120.518 120.200 -0.299 0.000 2.058 353 E HA -0.114 4.212 4.350 -0.041 0.000 0.194 353 E C 2.035 178.421 176.600 -0.358 0.000 0.997 353 E CA 0.693 56.933 56.400 -0.267 0.000 0.801 353 E CB -0.174 29.398 29.700 -0.213 0.000 0.746 353 E HN 0.275 nan 8.360 nan 0.000 0.450 354 L N 0.168 121.033 121.223 -0.596 0.000 2.012 354 L HA -0.255 4.061 4.340 -0.041 0.000 0.210 354 L C 2.408 179.085 176.870 -0.322 0.000 1.073 354 L CA 1.666 56.170 54.840 -0.559 0.000 0.748 354 L CB -0.595 41.013 42.059 -0.751 0.000 0.891 354 L HN 0.307 nan 8.230 nan 0.000 0.431 355 H N -1.391 117.476 119.070 -0.338 0.000 2.353 355 H HA -0.179 4.352 4.556 -0.041 0.000 0.300 355 H C 2.055 177.252 175.328 -0.218 0.000 1.090 355 H CA 1.236 57.119 56.048 -0.276 0.000 1.327 355 H CB 0.050 29.660 29.762 -0.253 0.000 1.383 355 H HN 0.293 nan 8.280 nan 0.000 0.508 356 N N 1.094 119.751 118.700 -0.072 0.000 2.364 356 N HA -0.130 4.585 4.740 -0.041 0.000 0.183 356 N C 0.674 176.127 175.510 -0.095 0.000 1.022 356 N CA 1.112 54.112 53.050 -0.084 0.000 0.883 356 N CB -0.153 38.281 38.487 -0.088 0.000 0.965 356 N HN 0.366 nan 8.380 nan 0.000 0.438 357 N N -1.142 117.481 118.700 -0.128 0.000 2.322 357 N HA 0.182 4.897 4.740 -0.041 0.000 0.194 357 N C 0.547 175.981 175.510 -0.127 0.000 1.126 357 N CA 0.403 53.377 53.050 -0.127 0.000 0.845 357 N CB 0.418 38.810 38.487 -0.159 0.000 0.976 357 N HN 0.270 nan 8.380 nan 0.000 0.475 358 G N 0.581 109.305 108.800 -0.126 0.000 2.143 358 G HA2 -0.291 3.645 3.960 -0.041 0.000 0.249 358 G HA3 -0.291 3.645 3.960 -0.041 0.000 0.249 358 G C -0.034 174.764 174.900 -0.170 0.000 0.981 358 G CA -0.012 45.013 45.100 -0.125 0.000 0.665 358 G HN 0.344 nan 8.290 nan 0.000 0.528 359 Q N -0.555 119.118 119.800 -0.212 0.000 2.194 359 Q HA 0.719 5.034 4.340 -0.041 0.000 0.245 359 Q C -0.106 175.720 176.000 -0.290 0.000 0.993 359 Q CA -0.747 54.889 55.803 -0.279 0.000 0.930 359 Q CB 1.102 29.621 28.738 -0.365 0.000 1.238 359 Q HN 0.097 nan 8.270 nan 0.000 0.486 360 K N 0.974 121.141 120.400 -0.388 0.000 2.328 360 K HA 0.495 4.791 4.320 -0.041 0.000 0.246 360 K C -1.335 175.091 176.600 -0.290 0.000 0.955 360 K CA -0.935 55.062 56.287 -0.483 0.000 0.817 360 K CB 1.803 33.617 32.500 -1.144 0.000 1.208 360 K HN 0.388 nan 8.250 nan 0.000 0.432 361 L N 1.583 122.696 121.223 -0.184 0.000 2.313 361 L HA 0.419 4.735 4.340 -0.041 0.000 0.283 361 L C -1.213 175.697 176.870 0.066 0.000 1.013 361 L CA -0.615 54.199 54.840 -0.044 0.000 0.816 361 L CB 1.691 43.700 42.059 -0.083 0.000 1.236 361 L HN 0.297 nan 8.230 nan 0.000 0.419 362 V N 6.498 126.455 119.914 0.072 0.000 2.417 362 V HA 0.485 4.580 4.120 -0.041 0.000 0.291 362 V C 0.089 176.295 176.094 0.187 0.000 1.024 362 V CA -0.517 61.848 62.300 0.108 0.000 0.861 362 V CB 1.553 33.260 31.823 -0.193 0.000 0.985 362 V HN 0.756 nan 8.190 nan 0.000 0.436 363 I N 3.056 123.752 120.570 0.209 0.000 2.460 363 I HA 0.639 4.785 4.170 -0.041 0.000 0.298 363 I C -0.228 176.046 176.117 0.261 0.000 0.989 363 I CA -0.583 60.827 61.300 0.184 0.000 1.173 363 I CB 1.676 39.636 38.000 -0.067 0.000 1.338 363 I HN 0.526 nan 8.210 nan 0.000 0.456 364 I N 5.833 126.557 120.570 0.257 0.000 2.519 364 I HA 0.447 4.592 4.170 -0.041 0.000 0.287 364 I C -0.778 175.310 176.117 -0.048 0.000 1.047 364 I CA -0.351 60.876 61.300 -0.122 0.000 1.381 364 I CB 1.163 38.736 38.000 -0.711 0.000 1.417 364 I HN 0.466 nan 8.210 nan 0.000 0.540 365 V N 6.285 126.157 119.914 -0.071 0.000 2.760 365 V HA 0.439 4.535 4.120 -0.041 0.000 0.309 365 V C -0.899 175.225 176.094 0.051 0.000 1.077 365 V CA -0.882 61.385 62.300 -0.055 0.000 0.910 365 V CB 1.978 33.831 31.823 0.050 0.000 1.008 365 V HN 0.624 nan 8.190 nan 0.000 0.424 366 D N 4.897 125.328 120.400 0.051 0.000 2.228 366 D HA 0.428 5.043 4.640 -0.041 0.000 0.247 366 D C -1.693 174.778 176.300 0.284 0.000 0.995 366 D CA -1.500 52.583 54.000 0.138 0.000 0.903 366 D CB 2.705 43.566 40.800 0.102 0.000 1.205 366 D HN 0.246 nan 8.370 nan 0.000 0.459 367 P HA -0.016 nan 4.420 nan 0.000 0.218 367 P C 0.196 177.675 177.300 0.298 0.000 1.152 367 P CA 0.558 63.912 63.100 0.422 0.000 0.826 367 P CB 0.330 32.373 31.700 0.572 0.000 0.790 368 A N 0.754 123.622 122.820 0.080 0.000 2.425 368 A HA 0.414 4.709 4.320 -0.041 0.000 0.249 368 A C 0.133 177.647 177.584 -0.117 0.000 1.084 368 A CA 0.069 51.942 52.037 -0.272 0.000 0.781 368 A CB -0.270 18.374 19.000 -0.593 0.000 1.019 368 A HN -0.018 nan 8.150 nan 0.000 0.490 369 I N 1.837 122.302 120.570 -0.175 0.000 2.418 369 I HA 0.212 4.357 4.170 -0.041 0.000 0.287 369 I C 0.818 176.860 176.117 -0.125 0.000 1.008 369 I CA -0.204 61.136 61.300 0.066 0.000 1.104 369 I CB 1.243 39.414 38.000 0.285 0.000 1.264 369 I HN 0.688 nan 8.210 nan 0.000 0.438 370 S N 5.104 120.768 115.700 -0.061 0.000 2.563 370 S HA -0.042 4.403 4.470 -0.041 0.000 0.294 370 S C 1.114 175.503 174.600 -0.351 0.000 1.279 370 S CA -0.065 57.979 58.200 -0.260 0.000 1.069 370 S CB 0.018 62.954 63.200 -0.440 0.000 0.828 370 S HN 0.687 nan 8.310 nan 0.000 0.497 371 N N 3.796 122.148 118.700 -0.580 0.000 2.276 371 N HA 0.013 4.729 4.740 -0.041 0.000 0.212 371 N C -0.442 174.562 175.510 -0.843 0.000 1.127 371 N CA -0.250 52.107 53.050 -1.154 0.000 0.834 371 N CB -0.329 37.629 38.487 -0.881 0.000 1.014 371 N HN 0.411 nan 8.380 nan 0.000 0.491 372 N N 0.615 119.036 118.700 -0.464 0.000 2.500 372 N HA 0.159 4.874 4.740 -0.041 0.000 0.236 372 N C -1.581 173.856 175.510 -0.122 0.000 1.022 372 N CA 0.076 52.971 53.050 -0.260 0.000 0.935 372 N CB 0.555 38.916 38.487 -0.211 0.000 1.147 372 N HN 0.191 nan 8.380 nan 0.000 0.512 373 S N 1.529 117.206 115.700 -0.037 0.000 2.543 373 S HA 0.657 5.102 4.470 -0.041 0.000 0.271 373 S C -1.219 173.443 174.600 0.104 0.000 1.148 373 S CA -0.569 57.702 58.200 0.119 0.000 0.914 373 S CB 0.541 63.930 63.200 0.315 0.000 1.096 373 S HN 0.540 nan 8.310 nan 0.000 0.471 374 S N 2.561 118.316 115.700 0.092 0.000 2.661 374 S HA 0.572 5.018 4.470 -0.041 0.000 0.285 374 S C 0.914 175.558 174.600 0.074 0.000 1.138 374 S CA -0.612 57.631 58.200 0.071 0.000 0.855 374 S CB 1.191 64.416 63.200 0.042 0.000 1.136 374 S HN 0.551 nan 8.310 nan 0.000 0.484 375 S N 1.389 117.125 115.700 0.059 0.000 2.374 375 S HA -0.156 4.289 4.470 -0.041 0.000 0.227 375 S C 2.021 176.648 174.600 0.046 0.000 1.037 375 S CA 1.791 60.022 58.200 0.051 0.000 1.024 375 S CB -0.715 62.508 63.200 0.039 0.000 0.861 375 S HN 0.775 nan 8.310 nan 0.000 0.456 376 S N 0.591 116.314 115.700 0.039 0.000 2.359 376 S HA -0.060 4.386 4.470 -0.041 0.000 0.224 376 S C 0.812 175.435 174.600 0.039 0.000 1.035 376 S CA 1.286 59.506 58.200 0.033 0.000 1.018 376 S CB -0.029 63.185 63.200 0.025 0.000 0.876 376 S HN 0.325 nan 8.310 nan 0.000 0.448 377 K N 1.680 122.108 120.400 0.047 0.000 2.752 377 K HA 0.404 4.699 4.320 -0.041 0.000 0.199 377 K C -2.970 173.685 176.600 0.092 0.000 1.069 377 K CA -2.329 53.992 56.287 0.057 0.000 1.033 377 K CB 1.720 34.242 32.500 0.038 0.000 1.229 377 K HN 0.173 nan 8.250 nan 0.000 0.572 378 P HA -0.031 nan 4.420 nan 0.000 0.271 378 P C -1.169 176.267 177.300 0.227 0.000 1.216 378 P CA -0.207 62.982 63.100 0.149 0.000 0.776 378 P CB 0.457 32.224 31.700 0.112 0.000 0.881 379 Y N 2.344 122.716 120.300 0.121 0.000 2.587 379 Y HA 0.432 4.957 4.550 -0.042 0.000 0.328 379 Y C 1.506 177.526 175.900 0.201 0.000 0.980 379 Y CA -0.382 57.801 58.100 0.138 0.000 1.272 379 Y CB 0.385 38.914 38.460 0.115 0.000 1.094 379 Y HN 0.557 nan 8.280 nan 0.000 0.503 380 G N 5.923 114.679 108.800 -0.073 0.000 2.574 380 G HA2 -0.271 3.665 3.960 -0.041 0.000 0.220 380 G HA3 -0.271 3.665 3.960 -0.041 0.000 0.220 380 G C -0.781 174.042 174.900 -0.127 0.000 1.173 380 G CA 1.013 46.061 45.100 -0.087 0.000 0.772 380 G HN 0.565 nan 8.290 nan 0.000 0.585 381 P HA -0.156 nan 4.420 nan 0.000 0.216 381 P C 1.440 178.974 177.300 0.389 0.000 1.150 381 P CA 1.145 64.239 63.100 -0.012 0.000 0.843 381 P CB -0.124 31.508 31.700 -0.114 0.000 0.787 382 Y N 0.854 121.214 120.300 0.101 0.000 2.184 382 Y HA -0.160 4.365 4.550 -0.041 0.000 0.290 382 Y C 1.755 177.853 175.900 0.331 0.000 1.129 382 Y CA 1.633 59.947 58.100 0.356 0.000 1.144 382 Y CB -0.866 37.768 38.460 0.289 0.000 0.995 382 Y HN -0.135 nan 8.280 nan 0.000 0.513 383 D N 0.034 120.505 120.400 0.119 0.000 2.104 383 D HA -0.166 4.449 4.640 -0.041 0.000 0.194 383 D C 2.253 178.528 176.300 -0.042 0.000 0.994 383 D CA 1.588 55.581 54.000 -0.012 0.000 0.830 383 D CB -0.321 40.521 40.800 0.070 0.000 0.959 383 D HN 0.381 nan 8.370 nan 0.000 0.452 384 R N 0.220 120.750 120.500 0.050 0.000 2.075 384 R HA -0.011 4.305 4.340 -0.041 0.000 0.232 384 R C 2.436 178.709 176.300 -0.045 0.000 1.126 384 R CA 1.200 57.341 56.100 0.069 0.000 0.963 384 R CB -0.531 29.870 30.300 0.167 0.000 0.858 384 R HN 0.183 nan 8.270 nan 0.000 0.435 385 G N 0.143 108.845 108.800 -0.162 0.000 2.418 385 G HA2 -0.242 3.693 3.960 -0.041 0.000 0.217 385 G HA3 -0.242 3.693 3.960 -0.041 0.000 0.217 385 G C 1.421 175.671 174.900 -1.084 0.000 1.158 385 G CA 0.828 45.209 45.100 -1.199 0.000 0.771 385 G HN 0.233 nan 8.290 nan 0.000 0.545 386 S N 0.927 116.367 115.700 -0.433 0.000 2.383 386 S HA -0.075 4.370 4.470 -0.041 0.000 0.227 386 S C 1.968 176.406 174.600 -0.271 0.000 1.026 386 S CA 1.242 59.287 58.200 -0.259 0.000 0.981 386 S CB -0.251 62.804 63.200 -0.241 0.000 0.818 386 S HN 0.315 nan 8.310 nan 0.000 0.472 387 D N 1.571 121.836 120.400 -0.225 0.000 2.149 387 D HA -0.050 4.566 4.640 -0.041 0.000 0.198 387 D C 1.618 177.801 176.300 -0.195 0.000 0.990 387 D CA 1.134 55.039 54.000 -0.159 0.000 0.839 387 D CB -0.225 40.514 40.800 -0.101 0.000 0.948 387 D HN 0.396 nan 8.370 nan 0.000 0.460 388 M N -0.506 118.920 119.600 -0.291 0.000 2.556 388 M HA 0.062 4.517 4.480 -0.041 0.000 0.245 388 M C -0.051 176.027 176.300 -0.370 0.000 1.128 388 M CA 0.287 55.411 55.300 -0.293 0.000 1.069 388 M CB 0.217 32.654 32.600 -0.272 0.000 1.469 388 M HN -0.184 nan 8.290 nan 0.000 0.494 389 K N 0.868 120.986 120.400 -0.470 0.000 3.125 389 K HA -0.172 4.124 4.320 -0.041 0.000 0.268 389 K C -0.038 176.264 176.600 -0.497 0.000 1.078 389 K CA 0.301 56.339 56.287 -0.415 0.000 0.775 389 K CB -2.051 30.321 32.500 -0.213 0.000 1.253 389 K HN 0.426 nan 8.250 nan 0.000 0.486 390 I N -3.728 116.327 120.570 -0.859 0.000 3.914 390 I HA 0.205 4.350 4.170 -0.041 0.000 0.333 390 I C 0.347 176.046 176.117 -0.697 0.000 1.449 390 I CA -0.561 60.285 61.300 -0.757 0.000 1.135 390 I CB -0.176 37.341 38.000 -0.806 0.000 1.073 390 I HN 0.154 nan 8.210 nan 0.000 0.401 391 W N 0.296 121.422 121.300 -0.291 0.000 2.215 391 W HA 0.574 5.216 4.660 -0.030 0.000 0.342 391 W C 0.245 176.700 176.519 -0.105 0.000 1.237 391 W CA -1.358 55.864 57.345 -0.205 0.000 1.283 391 W CB 0.480 29.859 29.460 -0.134 0.000 1.131 391 W HN -0.302 nan 8.180 nan 0.000 0.606 392 V N 3.502 123.566 119.914 0.249 0.000 2.585 392 V HA -0.052 4.043 4.120 -0.041 0.000 0.296 392 V C 0.237 176.428 176.094 0.161 0.000 1.035 392 V CA -0.251 62.150 62.300 0.169 0.000 1.084 392 V CB -0.487 31.444 31.823 0.180 0.000 0.953 392 V HN 0.450 nan 8.190 nan 0.000 0.483 393 N N 2.512 121.276 118.700 0.107 0.000 2.489 393 N HA 0.405 5.120 4.740 -0.041 0.000 0.284 393 N C 0.063 175.610 175.510 0.062 0.000 1.158 393 N CA -0.423 52.679 53.050 0.087 0.000 0.965 393 N CB 1.420 39.948 38.487 0.068 0.000 1.195 393 N HN 0.650 nan 8.380 nan 0.000 0.506 394 S N -0.239 115.490 115.700 0.048 0.000 2.606 394 S HA 0.009 4.455 4.470 -0.041 0.000 0.257 394 S C 1.514 176.130 174.600 0.026 0.000 1.327 394 S CA -0.459 57.758 58.200 0.028 0.000 0.984 394 S CB 0.361 63.572 63.200 0.018 0.000 0.941 394 S HN 0.676 nan 8.310 nan 0.000 0.576 395 S N 0.965 116.674 115.700 0.015 0.000 2.440 395 S HA -0.187 4.258 4.470 -0.041 0.000 0.238 395 S C 1.197 175.806 174.600 0.016 0.000 1.010 395 S CA 1.401 59.610 58.200 0.015 0.000 0.972 395 S CB -0.729 62.473 63.200 0.004 0.000 0.774 395 S HN 0.836 nan 8.310 nan 0.000 0.501 396 D N 1.137 121.546 120.400 0.015 0.000 2.350 396 D HA 0.113 4.728 4.640 -0.041 0.000 0.216 396 D C 1.580 177.893 176.300 0.022 0.000 0.968 396 D CA 0.868 54.877 54.000 0.016 0.000 0.894 396 D CB -1.161 39.647 40.800 0.014 0.000 0.909 396 D HN 0.647 nan 8.370 nan 0.000 0.520 397 G N -0.538 108.278 108.800 0.028 0.000 2.179 397 G HA2 -0.316 3.619 3.960 -0.041 0.000 0.260 397 G HA3 -0.316 3.619 3.960 -0.041 0.000 0.260 397 G C 0.959 175.879 174.900 0.033 0.000 0.977 397 G CA 1.216 46.335 45.100 0.033 0.000 0.641 397 G HN 1.048 nan 8.290 nan 0.000 0.533 398 V N -4.234 115.700 119.914 0.032 0.000 3.426 398 V HA 0.460 4.556 4.120 -0.041 0.000 0.271 398 V C 0.725 176.845 176.094 0.043 0.000 1.530 398 V CA 0.998 63.317 62.300 0.032 0.000 1.021 398 V CB 0.614 32.452 31.823 0.024 0.000 0.824 398 V HN 0.294 nan 8.190 nan 0.000 0.432 399 T N 4.286 118.867 114.554 0.045 0.000 2.743 399 T HA 0.512 4.838 4.350 -0.041 0.000 0.292 399 T C -2.755 171.988 174.700 0.071 0.000 0.972 399 T CA -1.078 61.054 62.100 0.052 0.000 0.967 399 T CB 1.405 70.294 68.868 0.035 0.000 0.926 399 T HN 0.219 nan 8.240 nan 0.000 0.459 400 P HA 0.060 nan 4.420 nan 0.000 0.262 400 P C -0.066 177.273 177.300 0.065 0.000 1.182 400 P CA -0.386 62.786 63.100 0.120 0.000 0.761 400 P CB 0.414 32.193 31.700 0.131 0.000 0.795 401 L N 4.651 125.928 121.223 0.090 0.000 2.410 401 L HA 0.204 4.519 4.340 -0.041 0.000 0.273 401 L C -0.277 176.654 176.870 0.101 0.000 1.152 401 L CA -0.069 54.820 54.840 0.082 0.000 0.855 401 L CB 0.063 42.169 42.059 0.079 0.000 1.129 401 L HN 0.194 nan 8.230 nan 0.000 0.463 402 I N 5.463 126.067 120.570 0.057 0.000 2.321 402 I HA 0.496 4.641 4.170 -0.041 0.000 0.291 402 I C 0.691 176.870 176.117 0.104 0.000 0.998 402 I CA -0.164 61.153 61.300 0.029 0.000 1.227 402 I CB 0.419 38.397 38.000 -0.037 0.000 1.368 402 I HN 0.718 nan 8.210 nan 0.000 0.466 403 G N 5.056 113.975 108.800 0.199 0.000 3.251 403 G HA2 0.586 4.521 3.960 -0.041 0.000 0.248 403 G HA3 0.586 4.521 3.960 -0.041 0.000 0.248 403 G C -1.262 173.665 174.900 0.044 0.000 1.320 403 G CA -0.331 44.909 45.100 0.233 0.000 0.982 403 G HN 0.525 nan 8.290 nan 0.000 0.575 404 E N -0.864 119.351 120.200 0.025 0.000 2.278 404 E HA 0.551 4.877 4.350 -0.041 0.000 0.272 404 E C -1.038 175.365 176.600 -0.329 0.000 0.890 404 E CA -0.510 55.833 56.400 -0.095 0.000 0.770 404 E CB 2.243 31.953 29.700 0.016 0.000 1.212 404 E HN 0.267 nan 8.360 nan 0.000 0.415 405 V N 2.838 122.452 119.914 -0.500 0.000 4.504 405 V HA 0.294 4.390 4.120 -0.041 0.000 0.298 405 V C 0.741 176.487 176.094 -0.580 0.000 1.446 405 V CA -0.846 60.797 62.300 -1.095 0.000 0.890 405 V CB 0.053 31.334 31.823 -0.903 0.000 1.281 405 V HN 0.895 nan 8.190 nan 0.000 0.461 406 W N 1.024 122.161 121.300 -0.272 0.000 2.335 406 W HA -0.057 4.586 4.660 -0.028 0.000 0.311 406 W C -0.434 176.058 176.519 -0.044 0.000 1.213 406 W CA 1.727 59.070 57.345 -0.004 0.000 1.274 406 W CB -1.252 28.186 29.460 -0.037 0.000 1.148 406 W HN 0.492 nan 8.180 nan 0.000 0.498 407 P HA 0.227 nan 4.420 nan 0.000 0.253 407 P C 0.692 177.954 177.300 -0.063 0.000 1.260 407 P CA 1.609 64.691 63.100 -0.030 0.000 0.800 407 P CB 0.291 31.905 31.700 -0.144 0.000 1.162 408 G N 0.173 108.949 108.800 -0.040 0.000 2.445 408 G HA2 -0.185 3.751 3.960 -0.041 0.000 0.212 408 G HA3 -0.185 3.751 3.960 -0.041 0.000 0.212 408 G C -0.896 173.925 174.900 -0.131 0.000 1.217 408 G CA -0.762 44.301 45.100 -0.062 0.000 1.002 408 G HN 0.291 nan 8.290 nan 0.000 0.574 409 Q N 1.129 120.845 119.800 -0.141 0.000 2.361 409 Q HA 0.468 4.783 4.340 -0.041 0.000 0.276 409 Q C 0.445 176.279 176.000 -0.276 0.000 1.022 409 Q CA 1.241 56.937 55.803 -0.179 0.000 0.898 409 Q CB 0.486 29.127 28.738 -0.161 0.000 1.246 409 Q HN 0.947 nan 8.270 nan 0.000 0.410 410 T N -1.904 112.447 114.554 -0.338 0.000 2.868 410 T HA 0.631 4.956 4.350 -0.041 0.000 0.306 410 T C -0.310 174.032 174.700 -0.598 0.000 1.224 410 T CA -1.000 60.794 62.100 -0.509 0.000 1.012 410 T CB 0.992 69.461 68.868 -0.665 0.000 1.221 410 T HN 0.399 nan 8.240 nan 0.000 0.499 411 V N -1.020 118.470 119.914 -0.707 0.000 3.096 411 V HA 0.902 4.997 4.120 -0.041 0.000 0.319 411 V C -1.073 174.540 176.094 -0.803 0.000 1.082 411 V CA -1.227 60.651 62.300 -0.704 0.000 1.022 411 V CB 0.856 32.038 31.823 -1.069 0.000 1.103 411 V HN 0.840 nan 8.190 nan 0.000 0.455 412 F N 0.658 120.522 119.950 -0.143 0.000 2.518 412 F HA 0.674 5.168 4.527 -0.056 0.000 0.323 412 F C -2.496 173.422 175.800 0.197 0.000 1.129 412 F CA -2.378 55.649 58.000 0.045 0.000 0.920 412 F CB 2.114 41.116 39.000 0.004 0.000 1.160 412 F HN 0.319 nan 8.300 nan 0.000 0.440 413 P HA 0.034 nan 4.420 nan 0.000 0.271 413 P C -0.806 176.307 177.300 -0.312 0.000 1.218 413 P CA -0.129 62.863 63.100 -0.180 0.000 0.780 413 P CB 0.685 31.964 31.700 -0.701 0.000 0.901 414 D N 1.754 121.935 120.400 -0.366 0.000 2.479 414 D HA 0.093 4.708 4.640 -0.041 0.000 0.218 414 D C -0.066 175.968 176.300 -0.444 0.000 1.131 414 D CA -0.347 53.481 54.000 -0.287 0.000 0.916 414 D CB -0.295 40.408 40.800 -0.162 0.000 1.022 414 D HN 0.242 nan 8.370 nan 0.000 0.515 415 Y N 1.131 121.165 120.300 -0.442 0.000 2.616 415 Y HA -0.053 4.472 4.550 -0.041 0.000 0.296 415 Y C 2.560 178.124 175.900 -0.560 0.000 1.154 415 Y CA 1.037 58.841 58.100 -0.494 0.000 1.325 415 Y CB -0.131 37.951 38.460 -0.630 0.000 1.007 415 Y HN 0.436 nan 8.280 nan 0.000 0.542 416 T N -2.787 111.430 114.554 -0.562 0.000 3.055 416 T HA -0.059 4.266 4.350 -0.041 0.000 0.265 416 T C 0.782 175.206 174.700 -0.460 0.000 1.111 416 T CA 0.104 61.625 62.100 -0.965 0.000 1.118 416 T CB -0.328 67.599 68.868 -1.570 0.000 0.909 416 T HN 0.062 nan 8.240 nan 0.000 0.501 417 N N 2.904 121.416 118.700 -0.312 0.000 2.411 417 N HA 0.197 4.912 4.740 -0.041 0.000 0.259 417 N C -1.625 173.736 175.510 -0.250 0.000 1.103 417 N CA -2.383 50.469 53.050 -0.331 0.000 0.954 417 N CB 1.745 40.064 38.487 -0.280 0.000 1.085 417 N HN 0.020 nan 8.380 nan 0.000 0.485 418 P HA -0.149 nan 4.420 nan 0.000 0.217 418 P C 0.542 177.796 177.300 -0.076 0.000 1.148 418 P CA 1.223 64.261 63.100 -0.104 0.000 0.828 418 P CB 0.408 32.061 31.700 -0.079 0.000 0.783 419 N N -0.800 117.829 118.700 -0.119 0.000 2.309 419 N HA -0.104 4.612 4.740 -0.041 0.000 0.182 419 N C 1.927 177.415 175.510 -0.036 0.000 1.018 419 N CA 0.619 53.621 53.050 -0.080 0.000 0.876 419 N CB -1.309 37.103 38.487 -0.125 0.000 0.972 419 N HN 0.206 nan 8.380 nan 0.000 0.434 420 C N 0.943 120.193 119.300 -0.083 0.000 2.425 420 C HA 0.083 4.518 4.460 -0.041 0.000 0.277 420 C C 2.713 177.842 174.990 0.231 0.000 1.280 420 C CA 1.051 60.061 59.018 -0.014 0.000 1.744 420 C CB -1.141 26.475 27.740 -0.208 0.000 1.989 420 C HN 0.468 nan 8.230 nan 0.000 0.491 421 A N -0.202 122.710 122.820 0.152 0.000 1.969 421 A HA -0.030 4.265 4.320 -0.041 0.000 0.218 421 A C 2.281 180.001 177.584 0.226 0.000 1.169 421 A CA 2.058 54.234 52.037 0.233 0.000 0.635 421 A CB -0.650 18.423 19.000 0.123 0.000 0.810 421 A HN 0.462 nan 8.150 nan 0.000 0.445 422 V N -1.849 118.153 119.914 0.146 0.000 2.307 422 V HA -0.256 3.840 4.120 -0.041 0.000 0.245 422 V C 2.193 178.372 176.094 0.142 0.000 1.045 422 V CA 1.851 64.216 62.300 0.108 0.000 1.024 422 V CB -1.028 30.828 31.823 0.056 0.000 0.651 422 V HN 0.910 nan 8.190 nan 0.000 0.449 423 W N -0.211 121.088 121.300 -0.001 0.000 2.335 423 W HA -0.227 4.410 4.660 -0.038 0.000 0.311 423 W C 2.512 179.091 176.519 0.101 0.000 1.213 423 W CA 1.755 59.089 57.345 -0.019 0.000 1.274 423 W CB -0.460 28.930 29.460 -0.116 0.000 1.148 423 W HN 0.371 nan 8.180 nan 0.000 0.498 424 W N 1.103 122.288 121.300 -0.192 0.000 2.355 424 W HA -0.246 4.390 4.660 -0.040 0.000 0.309 424 W C 2.029 178.465 176.519 -0.137 0.000 1.206 424 W CA 2.191 59.328 57.345 -0.346 0.000 1.284 424 W CB -0.624 28.968 29.460 0.220 0.000 1.145 424 W HN -0.212 nan 8.180 nan 0.000 0.502 425 T N 0.756 115.373 114.554 0.104 0.000 2.684 425 T HA -0.279 4.046 4.350 -0.041 0.000 0.267 425 T C 1.615 176.246 174.700 -0.115 0.000 1.036 425 T CA 2.114 64.217 62.100 0.005 0.000 1.148 425 T CB -0.424 68.459 68.868 0.024 0.000 0.863 425 T HN -0.073 nan 8.240 nan 0.000 0.436 426 K N 1.231 121.526 120.400 -0.175 0.000 2.097 426 K HA -0.083 4.212 4.320 -0.041 0.000 0.206 426 K C 2.211 178.584 176.600 -0.378 0.000 1.049 426 K CA 1.181 57.339 56.287 -0.216 0.000 0.933 426 K CB -0.227 32.173 32.500 -0.166 0.000 0.717 426 K HN 0.173 nan 8.250 nan 0.000 0.442 427 E N -0.430 119.344 120.200 -0.709 0.000 2.077 427 E HA -0.145 4.180 4.350 -0.041 0.000 0.193 427 E C 1.995 177.978 176.600 -1.028 0.000 0.989 427 E CA 1.074 56.766 56.400 -1.179 0.000 0.800 427 E CB -0.324 28.084 29.700 -2.152 0.000 0.746 427 E HN 0.324 nan 8.360 nan 0.000 0.452 428 F N 1.671 121.213 119.950 -0.680 0.000 2.146 428 F HA -0.080 4.422 4.527 -0.041 0.000 0.298 428 F C 2.369 178.152 175.800 -0.028 0.000 1.096 428 F CA 1.034 58.916 58.000 -0.197 0.000 1.275 428 F CB -0.224 38.663 39.000 -0.189 0.000 1.008 428 F HN 0.028 nan 8.300 nan 0.000 0.480 429 E N 0.415 120.631 120.200 0.027 0.000 2.049 429 E HA -0.245 4.081 4.350 -0.041 0.000 0.198 429 E C 2.271 178.890 176.600 0.032 0.000 1.007 429 E CA 1.665 58.056 56.400 -0.014 0.000 0.809 429 E CB -0.514 29.143 29.700 -0.072 0.000 0.749 429 E HN 0.383 nan 8.360 nan 0.000 0.450 430 L N -0.113 121.098 121.223 -0.019 0.000 2.042 430 L HA -0.193 4.122 4.340 -0.041 0.000 0.210 430 L C 2.479 179.450 176.870 0.168 0.000 1.076 430 L CA 0.976 55.830 54.840 0.023 0.000 0.749 430 L CB -0.397 41.630 42.059 -0.054 0.000 0.893 430 L HN 0.120 nan 8.230 nan 0.000 0.432 431 F N -0.419 119.566 119.950 0.059 0.000 2.259 431 F HA -0.173 4.332 4.527 -0.038 0.000 0.298 431 F C 2.674 178.668 175.800 0.323 0.000 1.088 431 F CA 1.300 59.442 58.000 0.237 0.000 1.358 431 F CB -0.466 38.752 39.000 0.364 0.000 1.040 431 F HN 0.132 nan 8.300 nan 0.000 0.505 432 H N -0.035 119.174 119.070 0.231 0.000 2.457 432 H HA -0.105 4.426 4.556 -0.041 0.000 0.294 432 H C 1.429 176.643 175.328 -0.190 0.000 1.064 432 H CA 1.251 57.218 56.048 -0.136 0.000 1.330 432 H CB -0.004 29.528 29.762 -0.383 0.000 1.395 432 H HN 0.197 nan 8.280 nan 0.000 0.541 433 N N 0.654 119.316 118.700 -0.064 0.000 2.364 433 N HA -0.115 4.601 4.740 -0.041 0.000 0.183 433 N C 1.706 177.136 175.510 -0.134 0.000 1.022 433 N CA 0.944 53.936 53.050 -0.096 0.000 0.883 433 N CB -0.052 38.423 38.487 -0.020 0.000 0.965 433 N HN 0.650 nan 8.380 nan 0.000 0.438 434 Q N -0.700 119.004 119.800 -0.160 0.000 2.387 434 Q HA 0.213 4.529 4.340 -0.041 0.000 0.208 434 Q C -0.249 175.569 176.000 -0.304 0.000 0.935 434 Q CA 0.506 56.230 55.803 -0.131 0.000 0.891 434 Q CB 1.034 29.787 28.738 0.025 0.000 1.007 434 Q HN -0.006 nan 8.270 nan 0.000 0.548 435 V N 2.212 121.808 119.914 -0.530 0.000 2.409 435 V HA 0.170 4.265 4.120 -0.041 0.000 0.290 435 V C -0.633 175.115 176.094 -0.576 0.000 1.017 435 V CA -0.446 61.479 62.300 -0.624 0.000 0.841 435 V CB 1.576 32.904 31.823 -0.824 0.000 1.003 435 V HN 0.184 nan 8.190 nan 0.000 0.426 436 E N 4.961 124.804 120.200 -0.595 0.000 2.110 436 E HA 0.198 4.523 4.350 -0.041 0.000 0.300 436 E C -0.188 176.237 176.600 -0.291 0.000 1.278 436 E CA -0.294 55.666 56.400 -0.734 0.000 1.365 436 E CB 0.095 29.517 29.700 -0.462 0.000 1.283 436 E HN 0.682 nan 8.360 nan 0.000 0.490 437 F N -0.834 119.103 119.950 -0.023 0.000 2.490 437 F HA 0.143 4.646 4.527 -0.039 0.000 0.336 437 F C 0.817 176.863 175.800 0.409 0.000 1.178 437 F CA -0.312 57.780 58.000 0.152 0.000 1.301 437 F CB 0.664 39.776 39.000 0.187 0.000 1.175 437 F HN -0.037 nan 8.300 nan 0.000 0.593 438 D N 0.327 120.949 120.400 0.369 0.000 2.454 438 D HA 0.252 4.867 4.640 -0.041 0.000 0.214 438 D C 0.681 177.020 176.300 0.064 0.000 1.088 438 D CA 0.588 54.614 54.000 0.043 0.000 0.855 438 D CB 1.164 41.794 40.800 -0.284 0.000 1.025 438 D HN 0.763 nan 8.370 nan 0.000 0.502 439 G N 0.278 109.343 108.800 0.441 0.000 2.682 439 G HA2 0.635 4.571 3.960 -0.041 0.000 0.290 439 G HA3 0.635 4.571 3.960 -0.041 0.000 0.290 439 G C -1.644 173.546 174.900 0.482 0.000 1.425 439 G CA -0.595 44.807 45.100 0.503 0.000 0.807 439 G HN -0.025 nan 8.290 nan 0.000 0.482 440 I N -0.186 120.591 120.570 0.344 0.000 2.582 440 I HA 0.408 4.554 4.170 -0.041 0.000 0.292 440 I C -1.485 174.785 176.117 0.255 0.000 1.066 440 I CA -0.617 60.833 61.300 0.250 0.000 1.053 440 I CB 2.774 40.858 38.000 0.140 0.000 1.241 440 I HN 0.553 nan 8.210 nan 0.000 0.421 441 W N 9.121 130.461 121.300 0.066 0.000 2.336 441 W HA 0.599 5.236 4.660 -0.038 0.000 0.315 441 W C -1.058 175.520 176.519 0.099 0.000 1.016 441 W CA -1.909 55.452 57.345 0.025 0.000 1.318 441 W CB 0.748 30.216 29.460 0.015 0.000 1.247 441 W HN 0.327 nan 8.180 nan 0.000 0.414 442 I N 3.773 124.573 120.570 0.383 0.000 2.315 442 I HA 0.515 4.660 4.170 -0.041 0.000 0.291 442 I C -0.455 175.844 176.117 0.304 0.000 1.006 442 I CA -0.221 61.241 61.300 0.269 0.000 1.265 442 I CB 1.332 39.482 38.000 0.250 0.000 1.387 442 I HN 0.255 nan 8.210 nan 0.000 0.475 443 D N 5.574 126.070 120.400 0.160 0.000 2.493 443 D HA 0.502 5.117 4.640 -0.041 0.000 0.239 443 D C 0.365 176.771 176.300 0.175 0.000 1.049 443 D CA -0.333 53.794 54.000 0.212 0.000 1.008 443 D CB 1.394 42.186 40.800 -0.013 0.000 1.398 443 D HN 0.641 nan 8.370 nan 0.000 0.513 444 M N 0.605 120.312 119.600 0.179 0.000 2.762 444 M HA -0.221 4.234 4.480 -0.041 0.000 0.190 444 M C -0.170 176.192 176.300 0.104 0.000 0.586 444 M CA 0.528 55.909 55.300 0.135 0.000 0.620 444 M CB -2.888 29.779 32.600 0.111 0.000 2.269 444 M HN 0.584 nan 8.290 nan 0.000 0.563 445 N N -0.474 118.304 118.700 0.131 0.000 2.376 445 N HA 0.269 4.984 4.740 -0.041 0.000 0.249 445 N C 0.657 176.223 175.510 0.092 0.000 1.140 445 N CA -0.058 53.090 53.050 0.162 0.000 0.870 445 N CB 0.218 38.850 38.487 0.242 0.000 1.124 445 N HN 0.245 nan 8.380 nan 0.000 0.505 446 E N -0.212 119.981 120.200 -0.011 0.000 2.150 446 E HA -0.011 4.315 4.350 -0.041 0.000 0.193 446 E C 0.344 176.680 176.600 -0.440 0.000 0.985 446 E CA 0.454 56.776 56.400 -0.130 0.000 0.814 446 E CB 0.163 29.845 29.700 -0.030 0.000 0.752 446 E HN 0.272 nan 8.360 nan 0.000 0.466 447 V N 0.196 119.793 119.914 -0.528 0.000 2.644 447 V HA 0.250 4.345 4.120 -0.041 0.000 0.295 447 V C -0.093 175.866 176.094 -0.226 0.000 1.053 447 V CA -0.449 61.577 62.300 -0.457 0.000 0.987 447 V CB 1.782 33.008 31.823 -0.995 0.000 1.006 447 V HN 0.116 nan 8.190 nan 0.000 0.472 448 S N 5.260 120.901 115.700 -0.098 0.000 2.537 448 S HA 0.434 4.879 4.470 -0.041 0.000 0.275 448 S C -0.418 174.131 174.600 -0.084 0.000 1.272 448 S CA -0.498 57.684 58.200 -0.031 0.000 1.050 448 S CB 0.326 63.551 63.200 0.042 0.000 0.961 448 S HN 0.869 nan 8.310 nan 0.000 0.496 449 N N 3.389 122.065 118.700 -0.039 0.000 2.295 449 N HA 0.397 5.113 4.740 -0.041 0.000 0.293 449 N C -0.359 175.228 175.510 0.127 0.000 1.040 449 N CA -0.773 52.260 53.050 -0.029 0.000 0.840 449 N CB 0.694 39.144 38.487 -0.061 0.000 1.468 449 N HN 0.464 nan 8.380 nan 0.000 0.478 450 F N 0.761 120.676 119.950 -0.058 0.000 2.710 450 F HA 0.080 4.576 4.527 -0.052 0.000 0.298 450 F C 1.050 176.831 175.800 -0.033 0.000 1.137 450 F CA 0.003 57.954 58.000 -0.081 0.000 1.444 450 F CB -0.552 38.364 39.000 -0.140 0.000 1.111 450 F HN 0.267 nan 8.300 nan 0.000 0.580 451 V N -2.673 117.337 119.914 0.161 0.000 2.881 451 V HA 0.501 4.596 4.120 -0.041 0.000 0.316 451 V C -0.364 175.784 176.094 0.090 0.000 1.070 451 V CA -1.159 61.200 62.300 0.097 0.000 0.976 451 V CB 1.805 33.665 31.823 0.062 0.000 1.038 451 V HN -0.224 nan 8.190 nan 0.000 0.446 452 D N 2.238 122.694 120.400 0.094 0.000 2.352 452 D HA 0.527 5.143 4.640 -0.041 0.000 0.245 452 D C 1.087 177.454 176.300 0.111 0.000 1.224 452 D CA 1.511 55.610 54.000 0.166 0.000 0.879 452 D CB 0.751 41.697 40.800 0.242 0.000 1.057 452 D HN 1.266 nan 8.370 nan 0.000 0.491 453 G N 2.666 111.526 108.800 0.100 0.000 4.526 453 G HA2 -0.267 3.669 3.960 -0.041 0.000 0.217 453 G HA3 -0.267 3.669 3.960 -0.041 0.000 0.217 453 G C 0.362 175.233 174.900 -0.048 0.000 1.428 453 G CA 0.528 45.628 45.100 0.000 0.000 0.928 453 G HN 1.174 nan 8.290 nan 0.000 0.639 454 S N -1.895 113.779 115.700 -0.042 0.000 2.636 454 S HA 0.588 5.033 4.470 -0.041 0.000 0.266 454 S C 1.050 175.643 174.600 -0.012 0.000 1.147 454 S CA 0.493 58.682 58.200 -0.017 0.000 0.815 454 S CB 1.119 64.303 63.200 -0.027 0.000 1.119 454 S HN 1.919 nan 8.310 nan 0.000 0.470 455 V N -0.256 119.658 119.914 -0.001 0.000 2.867 455 V HA 0.089 4.185 4.120 -0.041 0.000 0.260 455 V C 1.402 177.482 176.094 -0.024 0.000 1.099 455 V CA 1.989 64.284 62.300 -0.009 0.000 1.122 455 V CB -1.170 30.645 31.823 -0.013 0.000 0.708 455 V HN 1.341 nan 8.190 nan 0.000 0.490 456 S N -0.822 114.857 115.700 -0.035 0.000 2.588 456 S HA 0.590 5.035 4.470 -0.041 0.000 0.245 456 S C 1.020 175.575 174.600 -0.075 0.000 1.021 456 S CA 0.383 58.556 58.200 -0.046 0.000 1.006 456 S CB -0.251 62.925 63.200 -0.039 0.000 0.830 456 S HN 1.813 nan 8.310 nan 0.000 0.468 457 G N 0.753 109.499 108.800 -0.090 0.000 2.569 457 G HA2 -0.246 3.690 3.960 -0.041 0.000 0.259 457 G HA3 -0.246 3.690 3.960 -0.041 0.000 0.259 457 G C -0.255 174.511 174.900 -0.223 0.000 1.263 457 G CA -0.231 44.771 45.100 -0.162 0.000 0.928 457 G HN 1.064 nan 8.290 nan 0.000 0.572 458 C N -0.489 118.601 119.300 -0.349 0.000 2.626 458 C HA 0.735 5.170 4.460 -0.041 0.000 0.310 458 C C 0.644 175.476 174.990 -0.262 0.000 1.191 458 C CA -0.062 58.739 59.018 -0.360 0.000 1.517 458 C CB 1.333 28.657 27.740 -0.693 0.000 2.102 458 C HN 0.997 nan 8.230 nan 0.000 0.479 459 S N 1.479 117.085 115.700 -0.156 0.000 2.572 459 S HA 0.204 4.649 4.470 -0.041 0.000 0.279 459 S C 0.276 174.829 174.600 -0.078 0.000 1.341 459 S CA -0.039 58.104 58.200 -0.096 0.000 1.043 459 S CB 0.272 63.438 63.200 -0.057 0.000 0.887 459 S HN 0.801 nan 8.310 nan 0.000 0.516 460 T N 4.501 119.031 114.554 -0.040 0.000 2.779 460 T HA 0.434 4.759 4.350 -0.041 0.000 0.296 460 T C 0.187 174.893 174.700 0.010 0.000 0.938 460 T CA -0.420 61.682 62.100 0.004 0.000 1.119 460 T CB -0.443 68.437 68.868 0.020 0.000 0.891 460 T HN 0.839 nan 8.240 nan 0.000 0.526 461 N N 1.534 120.250 118.700 0.026 0.000 3.261 461 N HA 0.148 4.864 4.740 -0.041 0.000 0.248 461 N C 0.306 175.828 175.510 0.020 0.000 1.498 461 N CA -0.958 52.100 53.050 0.013 0.000 0.884 461 N CB 0.240 38.724 38.487 -0.006 0.000 1.428 461 N HN 0.263 nan 8.380 nan 0.000 0.517 462 N N -0.215 118.479 118.700 -0.011 0.000 2.512 462 N HA -0.035 4.680 4.740 -0.041 0.000 0.183 462 N C 0.662 176.122 175.510 -0.083 0.000 1.073 462 N CA 0.721 53.757 53.050 -0.024 0.000 0.911 462 N CB -0.048 38.417 38.487 -0.037 0.000 0.964 462 N HN 0.593 nan 8.380 nan 0.000 0.447 463 L N 0.372 121.529 121.223 -0.109 0.000 2.130 463 L HA 0.059 4.375 4.340 -0.041 0.000 0.200 463 L C 1.679 178.645 176.870 0.160 0.000 1.075 463 L CA 0.950 55.707 54.840 -0.138 0.000 0.768 463 L CB -0.573 41.408 42.059 -0.130 0.000 0.933 463 L HN 0.100 nan 8.230 nan 0.000 0.451 464 N N -0.133 118.658 118.700 0.151 0.000 2.331 464 N HA -0.059 4.656 4.740 -0.041 0.000 0.180 464 N C 0.137 175.857 175.510 0.350 0.000 1.019 464 N CA 0.589 53.812 53.050 0.289 0.000 0.881 464 N CB 0.198 38.767 38.487 0.137 0.000 0.972 464 N HN 0.290 nan 8.380 nan 0.000 0.435 465 N N 0.962 119.786 118.700 0.207 0.000 2.790 465 N HA 0.212 4.927 4.740 -0.041 0.000 0.256 465 N C -2.852 172.714 175.510 0.094 0.000 1.409 465 N CA -0.773 52.374 53.050 0.162 0.000 0.799 465 N CB 1.868 40.456 38.487 0.169 0.000 1.170 465 N HN 0.133 nan 8.380 nan 0.000 0.507 466 P HA 0.302 nan 4.420 nan 0.000 0.278 466 P C -1.811 175.549 177.300 0.100 0.000 1.266 466 P CA -0.886 62.280 63.100 0.109 0.000 0.807 466 P CB 1.034 32.852 31.700 0.197 0.000 1.094 467 P HA -0.035 nan 4.420 nan 0.000 0.218 467 P C 0.093 177.551 177.300 0.263 0.000 1.148 467 P CA 1.382 64.624 63.100 0.237 0.000 0.822 467 P CB 0.013 31.904 31.700 0.318 0.000 0.784 468 F N -0.256 119.676 119.950 -0.029 0.000 2.547 468 F HA 0.479 4.983 4.527 -0.038 0.000 0.316 468 F C -0.938 174.781 175.800 -0.136 0.000 1.121 468 F CA -0.629 57.237 58.000 -0.225 0.000 0.911 468 F CB 1.747 40.414 39.000 -0.555 0.000 1.179 468 F HN -0.431 nan 8.300 nan 0.000 0.443 469 T N 7.363 121.322 114.554 -0.991 0.000 2.786 469 T HA 0.423 4.749 4.350 -0.041 0.000 0.283 469 T C -2.608 171.429 174.700 -1.105 0.000 0.992 469 T CA -1.273 60.360 62.100 -0.779 0.000 0.954 469 T CB 1.494 70.023 68.868 -0.565 0.000 0.934 469 T HN 0.293 nan 8.240 nan 0.000 0.440 470 P HA 0.120 nan 4.420 nan 0.000 0.271 470 P C 0.188 177.295 177.300 -0.321 0.000 1.238 470 P CA -0.585 62.310 63.100 -0.341 0.000 0.794 470 P CB 0.432 32.080 31.700 -0.086 0.000 0.959 471 R N 1.569 121.960 120.500 -0.181 0.000 4.860 471 R HA 0.191 4.507 4.340 -0.041 0.000 0.191 471 R C 0.503 176.732 176.300 -0.120 0.000 1.936 471 R CA -0.188 55.812 56.100 -0.167 0.000 1.609 471 R CB -1.425 28.799 30.300 -0.128 0.000 1.392 471 R HN 0.428 nan 8.270 nan 0.000 0.844 472 I N -1.845 118.640 120.570 -0.142 0.000 2.938 472 I HA 0.097 4.242 4.170 -0.041 0.000 0.285 472 I C 0.317 176.397 176.117 -0.061 0.000 1.182 472 I CA -1.001 60.257 61.300 -0.070 0.000 1.388 472 I CB 0.358 38.295 38.000 -0.106 0.000 1.390 472 I HN 0.112 nan 8.210 nan 0.000 0.600 473 L N 5.685 126.906 121.223 -0.002 0.000 2.559 473 L HA 0.050 4.365 4.340 -0.041 0.000 0.274 473 L C 0.307 177.170 176.870 -0.010 0.000 1.205 473 L CA 1.237 56.078 54.840 0.001 0.000 0.907 473 L CB -0.681 41.396 42.059 0.030 0.000 1.153 473 L HN 0.859 nan 8.230 nan 0.000 0.490 474 D N 2.928 123.322 120.400 -0.011 0.000 2.439 474 D HA -0.212 4.403 4.640 -0.041 0.000 0.172 474 D C 1.103 177.420 176.300 0.028 0.000 1.026 474 D CA 1.525 55.537 54.000 0.020 0.000 1.043 474 D CB -1.296 39.522 40.800 0.031 0.000 1.098 474 D HN 1.265 nan 8.370 nan 0.000 0.467 475 G N -0.038 108.702 108.800 -0.099 0.000 2.148 475 G HA2 -0.332 3.603 3.960 -0.041 0.000 0.254 475 G HA3 -0.332 3.603 3.960 -0.041 0.000 0.254 475 G C -0.056 174.534 174.900 -0.517 0.000 0.981 475 G CA 0.830 45.762 45.100 -0.280 0.000 0.670 475 G HN 0.492 nan 8.290 nan 0.000 0.528 476 Y N -1.435 118.635 120.300 -0.384 0.000 2.477 476 Y HA 0.568 5.102 4.550 -0.027 0.000 0.347 476 Y C 1.450 176.953 175.900 -0.662 0.000 0.981 476 Y CA -1.150 56.578 58.100 -0.620 0.000 1.033 476 Y CB 1.447 39.294 38.460 -1.023 0.000 1.245 476 Y HN -0.080 nan 8.280 nan 0.000 0.455 477 L N 1.516 122.447 121.223 -0.487 0.000 2.083 477 L HA -0.204 4.111 4.340 -0.041 0.000 0.209 477 L C 1.598 178.390 176.870 -0.130 0.000 1.083 477 L CA 1.652 56.244 54.840 -0.413 0.000 0.752 477 L CB -0.315 41.532 42.059 -0.354 0.000 0.899 477 L HN 0.738 nan 8.230 nan 0.000 0.433 478 F N -2.327 117.660 119.950 0.062 0.000 2.797 478 F HA 0.191 4.712 4.527 -0.010 0.000 0.302 478 F C 1.177 177.009 175.800 0.054 0.000 1.130 478 F CA -1.557 56.477 58.000 0.056 0.000 1.387 478 F CB -1.695 37.327 39.000 0.036 0.000 1.107 478 F HN -0.105 nan 8.300 nan 0.000 0.577 479 C N 4.492 123.717 119.300 -0.125 0.000 2.592 479 C HA 0.092 4.527 4.460 -0.041 0.000 0.408 479 C C 1.273 176.315 174.990 0.086 0.000 1.436 479 C CA -0.385 58.629 59.018 -0.006 0.000 1.595 479 C CB -1.118 26.580 27.740 -0.070 0.000 2.487 479 C HN 0.627 nan 8.230 nan 0.000 0.610 480 K N 3.391 123.856 120.400 0.108 0.000 3.016 480 K HA -0.179 4.116 4.320 -0.041 0.000 0.262 480 K C 0.135 176.788 176.600 0.088 0.000 1.043 480 K CA 1.457 57.810 56.287 0.109 0.000 0.761 480 K CB -2.000 30.568 32.500 0.113 0.000 1.230 480 K HN 1.015 nan 8.250 nan 0.000 0.485 481 T N -1.918 112.685 114.554 0.082 0.000 2.598 481 T HA 0.663 4.988 4.350 -0.041 0.000 0.289 481 T C -0.849 173.825 174.700 -0.044 0.000 1.056 481 T CA -0.778 61.332 62.100 0.017 0.000 1.088 481 T CB 0.856 69.811 68.868 0.146 0.000 1.519 481 T HN 0.078 nan 8.240 nan 0.000 0.488 482 L N 1.396 122.557 121.223 -0.104 0.000 2.399 482 L HA 0.452 4.767 4.340 -0.041 0.000 0.266 482 L C 0.549 177.437 176.870 0.030 0.000 1.114 482 L CA -1.092 53.664 54.840 -0.141 0.000 0.804 482 L CB 0.624 42.524 42.059 -0.265 0.000 1.146 482 L HN 0.711 nan 8.230 nan 0.000 0.451 483 C N 2.507 121.810 119.300 0.004 0.000 2.431 483 C HA -0.084 4.351 4.460 -0.041 0.000 0.397 483 C C 2.068 177.114 174.990 0.094 0.000 1.436 483 C CA -0.384 58.653 59.018 0.032 0.000 1.596 483 C CB -0.107 27.613 27.740 -0.032 0.000 2.550 483 C HN 0.746 nan 8.230 nan 0.000 0.596 484 M N 2.627 122.324 119.600 0.161 0.000 2.476 484 M HA -0.044 4.411 4.480 -0.041 0.000 0.262 484 M C 1.573 177.967 176.300 0.156 0.000 1.079 484 M CA 1.384 56.809 55.300 0.209 0.000 1.104 484 M CB -0.922 31.866 32.600 0.313 0.000 1.409 484 M HN 0.831 nan 8.290 nan 0.000 0.467 485 D N -0.308 120.144 120.400 0.086 0.000 2.328 485 D HA 0.213 4.829 4.640 -0.041 0.000 0.221 485 D C 0.506 176.830 176.300 0.042 0.000 1.072 485 D CA -0.064 53.966 54.000 0.049 0.000 0.850 485 D CB -0.441 40.368 40.800 0.015 0.000 0.922 485 D HN 0.072 nan 8.370 nan 0.000 0.516 486 A N 0.079 122.927 122.820 0.047 0.000 2.466 486 A HA 0.429 4.725 4.320 -0.041 0.000 0.238 486 A C -0.063 177.555 177.584 0.058 0.000 1.074 486 A CA -0.298 51.764 52.037 0.041 0.000 0.774 486 A CB 0.684 19.698 19.000 0.024 0.000 1.015 486 A HN 0.122 nan 8.150 nan 0.000 0.498 487 V N 2.535 122.484 119.914 0.058 0.000 2.531 487 V HA 0.410 4.505 4.120 -0.041 0.000 0.301 487 V C -0.059 176.077 176.094 0.070 0.000 1.034 487 V CA -0.298 62.040 62.300 0.064 0.000 0.865 487 V CB 1.333 33.189 31.823 0.055 0.000 0.995 487 V HN 1.055 nan 8.190 nan 0.000 0.424 488 Q N 1.443 121.290 119.800 0.079 0.000 2.496 488 Q HA 0.408 4.724 4.340 -0.041 0.000 0.286 488 Q C 0.853 176.915 176.000 0.104 0.000 1.103 488 Q CA -0.843 55.002 55.803 0.071 0.000 0.813 488 Q CB 2.056 30.826 28.738 0.054 0.000 1.444 488 Q HN 0.838 nan 8.270 nan 0.000 0.443 489 H N 0.541 119.604 119.070 -0.013 0.000 2.321 489 H HA -0.179 4.352 4.556 -0.042 0.000 0.295 489 H C 0.673 176.138 175.328 0.227 0.000 1.102 489 H CA 2.128 58.202 56.048 0.042 0.000 1.266 489 H CB 0.337 30.072 29.762 -0.045 0.000 1.363 489 H HN 0.644 nan 8.280 nan 0.000 0.492 490 W N 0.945 122.218 121.300 -0.044 0.000 2.800 490 W HA 0.257 4.893 4.660 -0.040 0.000 0.249 490 W C 1.272 177.843 176.519 0.087 0.000 1.294 490 W CA 1.277 58.611 57.345 -0.017 0.000 1.402 490 W CB -0.383 29.146 29.460 0.116 0.000 1.126 490 W HN 0.473 nan 8.180 nan 0.000 0.652 491 G N -0.697 108.259 108.800 0.259 0.000 2.350 491 G HA2 0.033 3.968 3.960 -0.041 0.000 0.276 491 G HA3 0.033 3.968 3.960 -0.041 0.000 0.276 491 G C -1.009 173.951 174.900 0.100 0.000 1.313 491 G CA -1.154 44.048 45.100 0.170 0.000 0.903 491 G HN -0.179 nan 8.290 nan 0.000 0.490 492 K N -0.061 120.371 120.400 0.054 0.000 2.118 492 K HA 0.332 4.627 4.320 -0.041 0.000 0.264 492 K C 1.255 177.896 176.600 0.068 0.000 1.000 492 K CA -0.365 55.960 56.287 0.063 0.000 0.929 492 K CB 1.654 34.191 32.500 0.063 0.000 1.021 492 K HN 0.532 nan 8.250 nan 0.000 0.463 493 Q N 1.506 121.369 119.800 0.104 0.000 2.152 493 Q HA -0.267 4.049 4.340 -0.041 0.000 0.206 493 Q C 1.538 177.638 176.000 0.167 0.000 0.985 493 Q CA 1.801 57.686 55.803 0.136 0.000 0.863 493 Q CB -0.363 28.457 28.738 0.136 0.000 0.904 493 Q HN 0.680 nan 8.270 nan 0.000 0.422 494 Y N 0.568 120.888 120.300 0.034 0.000 2.139 494 Y HA -0.311 4.212 4.550 -0.045 0.000 0.282 494 Y C 1.452 177.329 175.900 -0.039 0.000 1.179 494 Y CA 2.402 60.514 58.100 0.021 0.000 1.161 494 Y CB -0.071 38.384 38.460 -0.009 0.000 0.970 494 Y HN 0.268 nan 8.280 nan 0.000 0.511 495 D N -0.574 119.780 120.400 -0.076 0.000 2.277 495 D HA 0.003 4.618 4.640 -0.041 0.000 0.209 495 D C 1.741 177.752 176.300 -0.482 0.000 0.970 495 D CA 1.595 55.291 54.000 -0.507 0.000 0.874 495 D CB -0.006 40.118 40.800 -1.125 0.000 0.982 495 D HN 0.645 nan 8.370 nan 0.000 0.504 496 I N -2.352 118.099 120.570 -0.199 0.000 4.018 496 I HA 0.162 4.308 4.170 -0.041 0.000 0.337 496 I C 1.934 178.090 176.117 0.065 0.000 1.327 496 I CA -0.223 61.072 61.300 -0.010 0.000 1.100 496 I CB -0.054 38.041 38.000 0.159 0.000 1.025 496 I HN -0.131 nan 8.210 nan 0.000 0.396 497 H N 2.938 121.994 119.070 -0.024 0.000 2.319 497 H HA -0.194 4.336 4.556 -0.043 0.000 0.297 497 H C 1.138 176.407 175.328 -0.098 0.000 1.097 497 H CA 2.432 58.450 56.048 -0.050 0.000 1.285 497 H CB -0.127 29.588 29.762 -0.080 0.000 1.368 497 H HN 0.556 nan 8.280 nan 0.000 0.495 498 N N 0.072 118.751 118.700 -0.035 0.000 2.573 498 N HA -0.039 4.676 4.740 -0.041 0.000 0.187 498 N C 1.233 176.673 175.510 -0.117 0.000 1.107 498 N CA 0.072 53.082 53.050 -0.067 0.000 0.918 498 N CB 0.195 38.736 38.487 0.089 0.000 0.966 498 N HN 0.355 nan 8.380 nan 0.000 0.448 499 L N -0.885 120.267 121.223 -0.118 0.000 2.640 499 L HA 0.081 4.397 4.340 -0.041 0.000 0.230 499 L C 1.426 178.371 176.870 0.125 0.000 1.123 499 L CA -0.116 54.715 54.840 -0.014 0.000 0.900 499 L CB -0.145 41.975 42.059 0.102 0.000 1.146 499 L HN 0.194 nan 8.230 nan 0.000 0.484 500 Y N 1.454 121.715 120.300 -0.064 0.000 2.163 500 Y HA -0.152 4.377 4.550 -0.036 0.000 0.288 500 Y C 2.354 178.230 175.900 -0.040 0.000 1.136 500 Y CA 1.886 59.949 58.100 -0.062 0.000 1.147 500 Y CB -0.053 38.327 38.460 -0.134 0.000 0.987 500 Y HN 0.125 nan 8.280 nan 0.000 0.509 501 G N -1.495 107.416 108.800 0.185 0.000 2.422 501 G HA2 -0.330 3.606 3.960 -0.041 0.000 0.218 501 G HA3 -0.330 3.606 3.960 -0.041 0.000 0.218 501 G C 1.476 176.407 174.900 0.051 0.000 1.140 501 G CA 0.830 46.000 45.100 0.117 0.000 0.775 501 G HN 0.577 nan 8.290 nan 0.000 0.545 502 Y N 2.859 123.161 120.300 0.004 0.000 2.145 502 Y HA -0.220 4.304 4.550 -0.042 0.000 0.286 502 Y C 3.109 178.920 175.900 -0.147 0.000 1.145 502 Y CA 2.117 60.225 58.100 0.013 0.000 1.148 502 Y CB -0.371 38.185 38.460 0.160 0.000 0.981 502 Y HN 0.294 nan 8.280 nan 0.000 0.507 503 S N 0.123 115.715 115.700 -0.181 0.000 2.382 503 S HA -0.298 4.148 4.470 -0.041 0.000 0.228 503 S C 2.185 176.445 174.600 -0.567 0.000 1.027 503 S CA 1.443 59.387 58.200 -0.426 0.000 0.991 503 S CB -0.850 62.053 63.200 -0.494 0.000 0.823 503 S HN 0.689 nan 8.310 nan 0.000 0.469 504 M N 1.664 120.863 119.600 -0.669 0.000 2.132 504 M HA -0.004 4.451 4.480 -0.041 0.000 0.263 504 M C 2.373 178.318 176.300 -0.591 0.000 1.065 504 M CA 1.664 56.350 55.300 -1.023 0.000 1.122 504 M CB -0.569 31.446 32.600 -0.974 0.000 1.365 504 M HN 0.496 nan 8.290 nan 0.000 0.411 505 A N -0.362 122.215 122.820 -0.405 0.000 1.933 505 A HA -0.117 4.179 4.320 -0.041 0.000 0.218 505 A C 2.027 179.297 177.584 -0.524 0.000 1.175 505 A CA 1.830 53.683 52.037 -0.306 0.000 0.628 505 A CB -1.091 17.813 19.000 -0.160 0.000 0.814 505 A HN 0.423 nan 8.150 nan 0.000 0.444 506 V N -0.163 119.235 119.914 -0.860 0.000 2.295 506 V HA -0.257 3.838 4.120 -0.041 0.000 0.246 506 V C 3.073 178.896 176.094 -0.451 0.000 1.049 506 V CA 1.984 63.660 62.300 -1.040 0.000 1.024 506 V CB -1.262 29.965 31.823 -0.995 0.000 0.648 506 V HN 0.619 nan 8.190 nan 0.000 0.447 507 A N -0.366 122.260 122.820 -0.323 0.000 1.908 507 A HA -0.239 4.057 4.320 -0.041 0.000 0.218 507 A C 2.389 180.056 177.584 0.138 0.000 1.181 507 A CA 2.587 54.582 52.037 -0.070 0.000 0.627 507 A CB -0.957 17.983 19.000 -0.099 0.000 0.818 507 A HN 0.518 nan 8.150 nan 0.000 0.445 508 T N 0.140 114.751 114.554 0.095 0.000 2.777 508 T HA 0.038 4.364 4.350 -0.041 0.000 0.266 508 T C 2.247 176.969 174.700 0.037 0.000 1.040 508 T CA 1.441 63.666 62.100 0.209 0.000 1.141 508 T CB -0.436 68.559 68.868 0.212 0.000 0.868 508 T HN 0.597 nan 8.240 nan 0.000 0.444 509 A N 1.496 124.322 122.820 0.011 0.000 1.908 509 A HA -0.148 4.147 4.320 -0.041 0.000 0.218 509 A C 2.196 179.818 177.584 0.064 0.000 1.181 509 A CA 2.029 54.110 52.037 0.074 0.000 0.627 509 A CB -0.645 18.481 19.000 0.211 0.000 0.818 509 A HN 0.458 nan 8.150 nan 0.000 0.445 510 E N 0.279 120.504 120.200 0.041 0.000 2.058 510 E HA -0.128 4.198 4.350 -0.041 0.000 0.194 510 E C 2.037 178.662 176.600 0.042 0.000 0.997 510 E CA 1.740 58.171 56.400 0.051 0.000 0.801 510 E CB -0.502 29.227 29.700 0.049 0.000 0.746 510 E HN 0.491 nan 8.360 nan 0.000 0.450 511 A N 0.639 123.485 122.820 0.042 0.000 1.933 511 A HA -0.082 4.214 4.320 -0.041 0.000 0.218 511 A C 2.429 179.946 177.584 -0.111 0.000 1.175 511 A CA 2.077 54.088 52.037 -0.044 0.000 0.628 511 A CB -1.002 17.907 19.000 -0.151 0.000 0.814 511 A HN 0.387 nan 8.150 nan 0.000 0.444 512 A N -0.073 122.716 122.820 -0.051 0.000 1.978 512 A HA -0.175 4.120 4.320 -0.041 0.000 0.220 512 A C 2.030 179.642 177.584 0.047 0.000 1.170 512 A CA 1.765 53.839 52.037 0.063 0.000 0.636 512 A CB -0.442 18.670 19.000 0.186 0.000 0.810 512 A HN 0.583 nan 8.150 nan 0.000 0.448 513 K N -1.040 119.376 120.400 0.026 0.000 2.152 513 K HA -0.109 4.186 4.320 -0.041 0.000 0.206 513 K C 1.802 178.390 176.600 -0.021 0.000 1.048 513 K CA 1.762 58.062 56.287 0.021 0.000 0.933 513 K CB -0.224 32.292 32.500 0.026 0.000 0.721 513 K HN 0.483 nan 8.250 nan 0.000 0.447 514 T N 0.088 114.602 114.554 -0.067 0.000 2.983 514 T HA 0.003 4.329 4.350 -0.041 0.000 0.250 514 T C 1.936 176.516 174.700 -0.201 0.000 1.037 514 T CA 0.437 62.475 62.100 -0.103 0.000 1.142 514 T CB 0.192 69.007 68.868 -0.088 0.000 0.876 514 T HN -0.095 nan 8.240 nan 0.000 0.455 515 V N 0.635 120.344 119.914 -0.342 0.000 2.591 515 V HA 0.091 4.187 4.120 -0.041 0.000 0.249 515 V C 0.335 175.875 176.094 -0.923 0.000 1.053 515 V CA 1.156 63.033 62.300 -0.705 0.000 1.068 515 V CB -0.406 30.858 31.823 -0.932 0.000 0.689 515 V HN 0.386 nan 8.190 nan 0.000 0.462 516 F N 0.298 120.128 119.950 -0.200 0.000 2.449 516 F HA 0.461 4.963 4.527 -0.042 0.000 0.329 516 F C -2.604 173.144 175.800 -0.087 0.000 1.245 516 F CA -3.412 54.495 58.000 -0.156 0.000 1.193 516 F CB 0.049 38.983 39.000 -0.109 0.000 1.425 516 F HN 0.031 nan 8.300 nan 0.000 0.544 517 P HA 0.068 nan 4.420 nan 0.000 0.263 517 P C 0.291 177.617 177.300 0.043 0.000 1.195 517 P CA 0.578 63.692 63.100 0.022 0.000 0.762 517 P CB 0.372 32.067 31.700 -0.008 0.000 0.799 518 N N -0.201 118.524 118.700 0.041 0.000 2.753 518 N HA -0.165 4.551 4.740 -0.041 0.000 0.251 518 N C -0.244 175.286 175.510 0.033 0.000 1.097 518 N CA 1.286 54.356 53.050 0.034 0.000 0.786 518 N CB -0.714 37.787 38.487 0.024 0.000 1.137 518 N HN 0.454 nan 8.380 nan 0.000 0.566 519 K N 0.626 121.059 120.400 0.055 0.000 2.166 519 K HA 0.375 4.671 4.320 -0.041 0.000 0.245 519 K C 1.386 177.996 176.600 0.018 0.000 0.967 519 K CA -0.614 55.693 56.287 0.034 0.000 0.863 519 K CB 1.224 33.752 32.500 0.046 0.000 1.107 519 K HN 0.041 nan 8.250 nan 0.000 0.436 520 R N 0.486 120.967 120.500 -0.032 0.000 2.090 520 R HA -0.072 4.243 4.340 -0.041 0.000 0.228 520 R C 0.996 177.251 176.300 -0.075 0.000 1.110 520 R CA 1.026 57.087 56.100 -0.064 0.000 0.973 520 R CB -0.095 30.131 30.300 -0.123 0.000 0.869 520 R HN 0.891 nan 8.270 nan 0.000 0.440 521 S N -0.818 114.811 115.700 -0.118 0.000 3.525 521 S HA -0.311 4.134 4.470 -0.041 0.000 0.629 521 S C -0.607 173.964 174.600 -0.048 0.000 2.621 521 S CA 1.138 59.237 58.200 -0.169 0.000 3.752 521 S CB -0.786 62.174 63.200 -0.399 0.000 0.260 521 S HN 0.308 nan 8.310 nan 0.000 1.214 522 F N 0.660 120.521 119.950 -0.150 0.000 2.639 522 F HA 0.711 5.213 4.527 -0.040 0.000 0.326 522 F C -1.267 174.521 175.800 -0.021 0.000 1.150 522 F CA -0.681 57.220 58.000 -0.165 0.000 1.057 522 F CB 0.769 39.656 39.000 -0.188 0.000 1.300 522 F HN 0.584 nan 8.300 nan 0.000 0.486 523 I N 6.825 127.036 120.570 -0.598 0.000 2.436 523 I HA 0.462 4.607 4.170 -0.041 0.000 0.289 523 I C -1.538 174.089 176.117 -0.817 0.000 1.010 523 I CA -1.062 59.936 61.300 -0.503 0.000 1.098 523 I CB 1.959 39.854 38.000 -0.175 0.000 1.266 523 I HN 0.518 nan 8.210 nan 0.000 0.434 524 L N 6.110 126.948 121.223 -0.642 0.000 2.313 524 L HA 0.650 4.965 4.340 -0.041 0.000 0.283 524 L C -0.351 176.555 176.870 0.059 0.000 1.013 524 L CA 0.285 54.848 54.840 -0.462 0.000 0.816 524 L CB 1.775 43.519 42.059 -0.525 0.000 1.236 524 L HN 0.619 nan 8.230 nan 0.000 0.419 525 T N 3.661 118.313 114.554 0.163 0.000 2.887 525 T HA 0.431 4.756 4.350 -0.041 0.000 0.288 525 T C 0.706 175.632 174.700 0.377 0.000 1.021 525 T CA -0.440 61.842 62.100 0.304 0.000 1.000 525 T CB 1.624 70.588 68.868 0.161 0.000 1.034 525 T HN 0.828 nan 8.240 nan 0.000 0.467 526 R N 1.908 122.569 120.500 0.268 0.000 2.048 526 R HA 0.230 4.545 4.340 -0.041 0.000 0.224 526 R C 0.878 177.199 176.300 0.035 0.000 1.163 526 R CA 0.442 56.443 56.100 -0.166 0.000 0.956 526 R CB -0.372 29.704 30.300 -0.374 0.000 0.849 526 R HN 0.552 nan 8.270 nan 0.000 0.435 527 S N 0.253 116.008 115.700 0.092 0.000 2.548 527 S HA 0.184 4.629 4.470 -0.041 0.000 0.277 527 S C -0.525 174.145 174.600 0.116 0.000 1.315 527 S CA -0.314 57.959 58.200 0.121 0.000 1.050 527 S CB 0.921 64.191 63.200 0.117 0.000 0.918 527 S HN 0.441 nan 8.310 nan 0.000 0.497 528 T N 2.160 116.784 114.554 0.116 0.000 2.896 528 T HA 0.732 5.058 4.350 -0.041 0.000 0.297 528 T C -1.015 173.846 174.700 0.268 0.000 1.108 528 T CA -0.698 61.505 62.100 0.171 0.000 1.004 528 T CB 1.288 70.206 68.868 0.083 0.000 1.159 528 T HN 0.481 nan 8.240 nan 0.000 0.499 529 F N 0.934 120.964 119.950 0.133 0.000 2.654 529 F HA 0.771 5.274 4.527 -0.040 0.000 0.334 529 F C -0.071 175.760 175.800 0.052 0.000 1.078 529 F CA -1.140 56.886 58.000 0.043 0.000 0.986 529 F CB 1.355 40.318 39.000 -0.061 0.000 1.362 529 F HN 1.018 nan 8.300 nan 0.000 0.498 530 A N 1.456 123.833 122.820 -0.740 0.000 2.561 530 A HA 0.414 4.709 4.320 -0.041 0.000 0.251 530 A C 1.045 178.598 177.584 -0.051 0.000 1.062 530 A CA 1.026 52.806 52.037 -0.429 0.000 0.761 530 A CB -1.320 17.339 19.000 -0.569 0.000 0.986 530 A HN 2.047 nan 8.150 nan 0.000 0.510 531 G N 1.745 110.535 108.800 -0.016 0.000 2.176 531 G HA2 -0.257 3.678 3.960 -0.041 0.000 0.232 531 G HA3 -0.257 3.678 3.960 -0.041 0.000 0.232 531 G C 1.247 176.352 174.900 0.342 0.000 0.986 531 G CA 0.710 45.908 45.100 0.162 0.000 0.643 531 G HN 1.024 nan 8.290 nan 0.000 0.522 532 S N 0.312 116.248 115.700 0.394 0.000 2.419 532 S HA 0.036 4.481 4.470 -0.041 0.000 0.233 532 S C 2.487 177.240 174.600 0.254 0.000 1.016 532 S CA 1.786 60.251 58.200 0.442 0.000 0.974 532 S CB -0.423 62.987 63.200 0.350 0.000 0.786 532 S HN 1.282 nan 8.310 nan 0.000 0.492 533 G N 1.433 110.307 108.800 0.124 0.000 2.470 533 G HA2 -0.234 3.702 3.960 -0.041 0.000 0.220 533 G HA3 -0.234 3.702 3.960 -0.041 0.000 0.220 533 G C 1.222 176.067 174.900 -0.092 0.000 1.121 533 G CA 0.813 45.935 45.100 0.037 0.000 0.766 533 G HN 0.506 nan 8.290 nan 0.000 0.553 534 K N -0.629 119.628 120.400 -0.238 0.000 2.280 534 K HA -0.014 4.282 4.320 -0.041 0.000 0.202 534 K C 1.413 177.580 176.600 -0.722 0.000 1.047 534 K CA 0.991 56.941 56.287 -0.562 0.000 0.942 534 K CB -0.145 31.858 32.500 -0.829 0.000 0.739 534 K HN 0.408 nan 8.250 nan 0.000 0.457 535 F N -0.721 119.204 119.950 -0.042 0.000 2.637 535 F HA 0.378 4.881 4.527 -0.040 0.000 0.284 535 F C 0.518 176.262 175.800 -0.094 0.000 1.105 535 F CA -0.254 57.706 58.000 -0.067 0.000 1.356 535 F CB 0.700 39.648 39.000 -0.086 0.000 1.096 535 F HN -0.076 nan 8.300 nan 0.000 0.616 536 A N -0.021 122.842 122.820 0.071 0.000 2.572 536 A HA 0.834 5.129 4.320 -0.041 0.000 0.295 536 A C -0.730 176.809 177.584 -0.076 0.000 1.072 536 A CA -0.435 51.576 52.037 -0.043 0.000 0.691 536 A CB 0.508 19.513 19.000 0.007 0.000 1.291 536 A HN 0.130 nan 8.150 nan 0.000 0.404 537 A N 0.200 122.887 122.820 -0.222 0.000 2.296 537 A HA 0.655 4.951 4.320 -0.041 0.000 0.264 537 A C -0.133 177.376 177.584 -0.125 0.000 1.097 537 A CA 0.242 52.156 52.037 -0.205 0.000 0.811 537 A CB 0.139 18.905 19.000 -0.390 0.000 1.072 537 A HN 1.605 nan 8.150 nan 0.000 0.495 538 H N -1.607 117.314 119.070 -0.247 0.000 2.851 538 H HA 0.547 5.078 4.556 -0.042 0.000 0.372 538 H C -1.258 173.981 175.328 -0.148 0.000 1.158 538 H CA -0.755 55.165 56.048 -0.213 0.000 1.159 538 H CB 1.066 30.616 29.762 -0.353 0.000 1.757 538 H HN 0.861 nan 8.280 nan 0.000 0.546 539 W N 5.458 126.185 121.300 -0.956 0.000 2.706 539 W HA 0.458 5.093 4.660 -0.042 0.000 0.346 539 W C -0.979 174.950 176.519 -0.984 0.000 1.071 539 W CA -1.200 55.704 57.345 -0.736 0.000 1.206 539 W CB 1.002 30.274 29.460 -0.312 0.000 1.413 539 W HN 0.503 nan 8.180 nan 0.000 0.542 540 L N 4.118 124.990 121.223 -0.585 0.000 2.650 540 L HA 0.303 4.618 4.340 -0.041 0.000 0.235 540 L C 1.217 177.878 176.870 -0.349 0.000 1.149 540 L CA 0.853 55.446 54.840 -0.412 0.000 0.887 540 L CB -1.276 40.746 42.059 -0.062 0.000 1.021 540 L HN 1.027 nan 8.230 nan 0.000 0.441 541 G N 0.192 108.443 108.800 -0.916 0.000 2.545 541 G HA2 -0.225 3.711 3.960 -0.041 0.000 0.216 541 G HA3 -0.225 3.711 3.960 -0.041 0.000 0.216 541 G C -0.677 174.185 174.900 -0.062 0.000 1.314 541 G CA -0.514 44.115 45.100 -0.785 0.000 0.906 541 G HN 0.181 nan 8.290 nan 0.000 0.563 542 D N 2.572 123.004 120.400 0.052 0.000 2.608 542 D HA 0.233 4.848 4.640 -0.041 0.000 0.224 542 D C 1.242 177.727 176.300 0.307 0.000 1.123 542 D CA 0.193 54.241 54.000 0.081 0.000 1.030 542 D CB -0.517 40.356 40.800 0.122 0.000 1.093 542 D HN 0.608 nan 8.370 nan 0.000 0.497 543 N N -0.142 118.754 118.700 0.327 0.000 2.381 543 N HA 0.215 4.931 4.740 -0.041 0.000 0.289 543 N C -0.129 175.589 175.510 0.347 0.000 1.288 543 N CA -0.217 53.046 53.050 0.355 0.000 0.960 543 N CB 0.329 39.045 38.487 0.381 0.000 1.116 543 N HN -0.131 nan 8.380 nan 0.000 0.557 544 T N -1.454 113.288 114.554 0.314 0.000 2.903 544 T HA 0.651 4.977 4.350 -0.041 0.000 0.299 544 T C -0.557 174.279 174.700 0.226 0.000 1.093 544 T CA -0.585 61.640 62.100 0.207 0.000 1.002 544 T CB 1.519 70.498 68.868 0.186 0.000 1.127 544 T HN 0.703 nan 8.240 nan 0.000 0.488 545 A N 2.751 125.635 122.820 0.107 0.000 3.026 545 A HA 0.505 4.801 4.320 -0.041 0.000 0.272 545 A C 0.818 178.457 177.584 0.091 0.000 1.782 545 A CA -0.294 51.829 52.037 0.144 0.000 1.451 545 A CB -1.239 17.768 19.000 0.013 0.000 1.081 545 A HN 0.813 nan 8.150 nan 0.000 0.611 546 T N -4.104 110.505 114.554 0.092 0.000 2.916 546 T HA 0.441 4.766 4.350 -0.041 0.000 0.292 546 T C 0.441 175.015 174.700 -0.211 0.000 1.055 546 T CA -0.699 61.384 62.100 -0.028 0.000 1.009 546 T CB 0.760 69.631 68.868 0.005 0.000 1.118 546 T HN 0.432 nan 8.240 nan 0.000 0.497 547 W N 0.614 121.817 121.300 -0.161 0.000 2.374 547 W HA 0.026 4.661 4.660 -0.041 0.000 0.288 547 W C 1.855 178.118 176.519 -0.426 0.000 1.218 547 W CA 0.975 58.160 57.345 -0.267 0.000 1.245 547 W CB -0.369 28.980 29.460 -0.184 0.000 1.126 547 W HN 0.741 nan 8.180 nan 0.000 0.545 548 D N 0.321 120.529 120.400 -0.321 0.000 2.104 548 D HA -0.179 4.436 4.640 -0.041 0.000 0.194 548 D C 1.339 176.949 176.300 -1.151 0.000 0.994 548 D CA 1.821 55.265 54.000 -0.927 0.000 0.830 548 D CB -0.595 39.486 40.800 -1.199 0.000 0.959 548 D HN 0.171 nan 8.370 nan 0.000 0.452 549 D N -0.063 119.981 120.400 -0.593 0.000 2.144 549 D HA -0.128 4.487 4.640 -0.041 0.000 0.199 549 D C 1.983 178.129 176.300 -0.256 0.000 0.984 549 D CA 0.341 54.256 54.000 -0.141 0.000 0.834 549 D CB -0.133 40.807 40.800 0.233 0.000 0.955 549 D HN 0.096 nan 8.370 nan 0.000 0.465 550 L N 0.833 121.585 121.223 -0.784 0.000 1.994 550 L HA -0.125 4.191 4.340 -0.041 0.000 0.208 550 L C 1.964 178.592 176.870 -0.404 0.000 1.071 550 L CA 1.722 55.889 54.840 -1.123 0.000 0.745 550 L CB -0.256 40.985 42.059 -1.363 0.000 0.892 550 L HN -0.132 nan 8.230 nan 0.000 0.431 551 R N -1.251 119.081 120.500 -0.279 0.000 2.091 551 R HA -0.215 4.100 4.340 -0.041 0.000 0.238 551 R C 2.019 178.438 176.300 0.198 0.000 1.136 551 R CA 1.953 58.027 56.100 -0.044 0.000 0.959 551 R CB -0.622 29.634 30.300 -0.072 0.000 0.856 551 R HN 0.477 nan 8.270 nan 0.000 0.437 552 W N 0.770 122.125 121.300 0.091 0.000 2.595 552 W HA -0.028 4.607 4.660 -0.041 0.000 0.257 552 W C 2.412 179.009 176.519 0.130 0.000 1.267 552 W CA 0.922 58.342 57.345 0.124 0.000 1.300 552 W CB -0.920 28.616 29.460 0.126 0.000 1.120 552 W HN 0.200 nan 8.180 nan 0.000 0.618 553 S N 0.063 115.964 115.700 0.334 0.000 2.382 553 S HA -0.184 4.262 4.470 -0.041 0.000 0.228 553 S C 1.800 176.528 174.600 0.214 0.000 1.027 553 S CA 1.207 59.571 58.200 0.274 0.000 0.991 553 S CB -0.776 62.621 63.200 0.330 0.000 0.823 553 S HN 0.225 nan 8.310 nan 0.000 0.469 554 I N 2.426 123.125 120.570 0.216 0.000 2.163 554 I HA -0.035 4.110 4.170 -0.041 0.000 0.240 554 I C -0.759 175.390 176.117 0.053 0.000 1.081 554 I CA 0.858 62.216 61.300 0.096 0.000 1.353 554 I CB -1.272 36.793 38.000 0.108 0.000 1.054 554 I HN 0.251 nan 8.210 nan 0.000 0.407 555 P HA -0.129 nan 4.420 nan 0.000 0.218 555 P C 1.583 178.974 177.300 0.152 0.000 1.148 555 P CA 1.632 64.830 63.100 0.163 0.000 0.822 555 P CB -0.248 31.596 31.700 0.241 0.000 0.784 556 G N -0.420 108.480 108.800 0.166 0.000 2.408 556 G HA2 -0.199 3.736 3.960 -0.041 0.000 0.217 556 G HA3 -0.199 3.736 3.960 -0.041 0.000 0.217 556 G C 1.626 176.683 174.900 0.262 0.000 1.150 556 G CA 0.497 45.734 45.100 0.227 0.000 0.776 556 G HN 0.162 nan 8.290 nan 0.000 0.542 557 V N 0.826 120.809 119.914 0.115 0.000 2.358 557 V HA -0.075 4.021 4.120 -0.041 0.000 0.246 557 V C 2.910 179.010 176.094 0.011 0.000 1.047 557 V CA 1.301 63.641 62.300 0.066 0.000 1.035 557 V CB -0.334 31.465 31.823 -0.040 0.000 0.658 557 V HN 0.339 nan 8.190 nan 0.000 0.452 558 L N -0.402 120.749 121.223 -0.120 0.000 2.046 558 L HA -0.211 4.105 4.340 -0.041 0.000 0.208 558 L C 2.549 179.338 176.870 -0.135 0.000 1.077 558 L CA 1.766 56.458 54.840 -0.245 0.000 0.747 558 L CB -0.661 41.001 42.059 -0.662 0.000 0.896 558 L HN 0.373 nan 8.230 nan 0.000 0.432 559 E N -0.188 119.987 120.200 -0.042 0.000 2.058 559 E HA -0.229 4.097 4.350 -0.041 0.000 0.194 559 E C 2.079 178.168 176.600 -0.852 0.000 0.997 559 E CA 1.469 57.662 56.400 -0.346 0.000 0.801 559 E CB -0.183 29.388 29.700 -0.215 0.000 0.746 559 E HN 0.328 nan 8.360 nan 0.000 0.450 560 F N 1.367 121.156 119.950 -0.268 0.000 2.269 560 F HA -0.140 4.362 4.527 -0.042 0.000 0.301 560 F C 2.086 177.836 175.800 -0.084 0.000 1.082 560 F CA 0.823 58.779 58.000 -0.074 0.000 1.360 560 F CB -0.160 38.932 39.000 0.153 0.000 1.041 560 F HN 0.047 nan 8.300 nan 0.000 0.512 561 N N 0.463 119.165 118.700 0.004 0.000 2.120 561 N HA -0.143 4.572 4.740 -0.041 0.000 0.188 561 N C 2.004 177.465 175.510 -0.081 0.000 1.024 561 N CA 1.166 54.194 53.050 -0.038 0.000 0.852 561 N CB -0.337 38.107 38.487 -0.071 0.000 1.003 561 N HN 0.297 nan 8.380 nan 0.000 0.424 562 L N 0.096 121.222 121.223 -0.161 0.000 2.079 562 L HA -0.153 4.163 4.340 -0.041 0.000 0.210 562 L C 1.491 178.353 176.870 -0.014 0.000 1.081 562 L CA 1.107 55.899 54.840 -0.080 0.000 0.752 562 L CB -0.531 41.486 42.059 -0.069 0.000 0.896 562 L HN 0.087 nan 8.230 nan 0.000 0.433 563 F N 0.219 120.183 119.950 0.024 0.000 2.811 563 F HA 0.226 4.729 4.527 -0.040 0.000 0.301 563 F C 1.829 177.610 175.800 -0.031 0.000 1.151 563 F CA 0.135 58.146 58.000 0.019 0.000 1.412 563 F CB -1.168 37.762 39.000 -0.117 0.000 1.113 563 F HN 0.193 nan 8.300 nan 0.000 0.579 564 G N 1.139 109.982 108.800 0.071 0.000 2.176 564 G HA2 -0.306 3.629 3.960 -0.041 0.000 0.252 564 G HA3 -0.306 3.629 3.960 -0.041 0.000 0.252 564 G C 0.223 175.148 174.900 0.042 0.000 1.024 564 G CA 0.087 45.162 45.100 -0.041 0.000 0.755 564 G HN 0.407 nan 8.290 nan 0.000 0.507 565 I N 0.953 121.626 120.570 0.172 0.000 2.692 565 I HA 0.201 4.347 4.170 -0.041 0.000 0.285 565 I C -1.024 175.218 176.117 0.209 0.000 1.191 565 I CA -2.117 59.314 61.300 0.218 0.000 1.128 565 I CB 1.255 39.476 38.000 0.368 0.000 1.585 565 I HN -0.070 nan 8.210 nan 0.000 0.558 566 P HA -0.126 nan 4.420 nan 0.000 0.222 566 P C 0.829 178.267 177.300 0.230 0.000 1.153 566 P CA 0.843 63.993 63.100 0.083 0.000 0.798 566 P CB 0.390 32.011 31.700 -0.131 0.000 0.796 567 M N 1.186 121.007 119.600 0.368 0.000 2.557 567 M HA 0.280 4.736 4.480 -0.041 0.000 0.328 567 M C -1.027 175.406 176.300 0.223 0.000 1.423 567 M CA -0.090 55.437 55.300 0.379 0.000 1.418 567 M CB -0.184 32.566 32.600 0.249 0.000 1.381 567 M HN -0.285 nan 8.290 nan 0.000 0.467 568 V N 4.064 124.137 119.914 0.265 0.000 3.012 568 V HA 1.026 5.121 4.120 -0.041 0.000 0.307 568 V C -0.708 175.511 176.094 0.208 0.000 1.166 568 V CA 0.013 62.413 62.300 0.166 0.000 0.974 568 V CB 2.364 34.254 31.823 0.113 0.000 1.040 568 V HN 0.828 nan 8.190 nan 0.000 0.428 569 G N 4.886 113.773 108.800 0.145 0.000 2.523 569 G HA2 0.680 4.615 3.960 -0.041 0.000 0.291 569 G HA3 0.680 4.615 3.960 -0.041 0.000 0.291 569 G C -3.541 171.291 174.900 -0.114 0.000 1.450 569 G CA -0.596 44.428 45.100 -0.126 0.000 0.790 569 G HN 0.676 nan 8.290 nan 0.000 0.496 570 P HA 0.347 nan 4.420 nan 0.000 0.306 570 P C -1.046 176.271 177.300 0.028 0.000 1.309 570 P CA -0.423 62.669 63.100 -0.014 0.000 0.759 570 P CB 1.151 32.922 31.700 0.118 0.000 1.314 571 D N 0.214 120.669 120.400 0.093 0.000 2.352 571 D HA 0.268 4.883 4.640 -0.041 0.000 0.245 571 D C 0.392 176.472 176.300 -0.368 0.000 1.224 571 D CA 0.119 54.111 54.000 -0.014 0.000 0.879 571 D CB -0.395 40.509 40.800 0.173 0.000 1.057 571 D HN 0.210 nan 8.370 nan 0.000 0.491 572 I N 1.757 122.092 120.570 -0.391 0.000 2.648 572 I HA -0.115 4.030 4.170 -0.041 0.000 0.284 572 I C 1.039 176.641 176.117 -0.858 0.000 1.153 572 I CA -0.019 60.827 61.300 -0.757 0.000 1.426 572 I CB 0.461 38.343 38.000 -0.197 0.000 1.381 572 I HN 0.619 nan 8.210 nan 0.000 0.571 573 c N 3.809 121.539 118.600 -1.450 0.000 5.851 573 c HA -0.118 4.427 4.570 -0.041 0.000 0.284 573 c C 0.764 174.517 174.090 -0.561 0.000 2.047 573 c CA 0.272 56.224 56.329 -0.629 0.000 1.805 573 c CB -2.300 40.090 42.510 -0.200 0.000 2.836 573 c HN 1.461 nan 8.230 nan 0.000 0.468 574 G N -1.333 107.032 108.800 -0.725 0.000 3.226 574 G HA2 0.199 4.135 3.960 -0.041 0.000 0.685 574 G HA3 0.199 4.135 3.960 -0.041 0.000 0.685 574 G C -0.387 174.458 174.900 -0.091 0.000 1.207 574 G CA 0.107 45.037 45.100 -0.285 0.000 0.877 574 G HN 0.953 nan 8.290 nan 0.000 0.585 575 F N 2.735 122.623 119.950 -0.103 0.000 2.000 575 F HA 0.433 4.935 4.527 -0.042 0.000 0.295 575 F C 2.068 177.800 175.800 -0.114 0.000 1.159 575 F CA 2.469 60.430 58.000 -0.066 0.000 1.171 575 F CB -0.383 38.665 39.000 0.081 0.000 0.971 575 F HN 1.110 nan 8.300 nan 0.000 0.479 576 A N 0.798 123.561 122.820 -0.095 0.000 2.425 576 A HA 0.501 4.797 4.320 -0.041 0.000 0.249 576 A C -0.762 176.388 177.584 -0.723 0.000 1.084 576 A CA -0.239 51.519 52.037 -0.464 0.000 0.781 576 A CB -0.018 18.977 19.000 -0.009 0.000 1.019 576 A HN 0.617 nan 8.150 nan 0.000 0.490 577 L N 0.601 120.886 121.223 -1.564 0.000 0.584 577 L HA -0.124 4.192 4.340 -0.041 0.000 0.356 577 L C -0.776 175.764 176.870 -0.550 0.000 1.004 577 L CA 0.074 54.410 54.840 -0.840 0.000 1.223 577 L CB -1.014 40.876 42.059 -0.283 0.000 0.014 577 L HN 0.894 nan 8.230 nan 0.000 0.091 578 D N 0.847 121.153 120.400 -0.157 0.000 2.425 578 D HA 0.292 4.907 4.640 -0.041 0.000 0.247 578 D C 0.433 176.728 176.300 -0.008 0.000 1.147 578 D CA 0.255 54.249 54.000 -0.011 0.000 0.879 578 D CB 0.801 41.634 40.800 0.055 0.000 1.179 578 D HN 0.550 nan 8.370 nan 0.000 0.456 579 T N 2.589 117.164 114.554 0.035 0.000 2.771 579 T HA 0.369 4.695 4.350 -0.041 0.000 0.291 579 T C -2.398 172.383 174.700 0.135 0.000 0.954 579 T CA -1.886 60.258 62.100 0.072 0.000 1.045 579 T CB 0.677 69.597 68.868 0.086 0.000 0.917 579 T HN 0.091 nan 8.240 nan 0.000 0.484 580 P HA 0.132 nan 4.420 nan 0.000 0.269 580 P C 0.888 178.291 177.300 0.171 0.000 1.209 580 P CA -0.240 62.950 63.100 0.150 0.000 0.776 580 P CB 0.597 32.392 31.700 0.158 0.000 0.876 581 E N 2.229 122.562 120.200 0.221 0.000 2.130 581 E HA -0.263 4.063 4.350 -0.041 0.000 0.196 581 E C 1.436 178.060 176.600 0.041 0.000 0.998 581 E CA 1.626 58.126 56.400 0.167 0.000 0.806 581 E CB 0.053 29.880 29.700 0.212 0.000 0.738 581 E HN 0.602 nan 8.360 nan 0.000 0.459 582 E N -0.024 120.252 120.200 0.127 0.000 2.107 582 E HA -0.165 4.161 4.350 -0.041 0.000 0.191 582 E C 2.396 179.068 176.600 0.121 0.000 0.982 582 E CA 0.709 57.217 56.400 0.179 0.000 0.809 582 E CB -0.081 29.803 29.700 0.308 0.000 0.756 582 E HN 0.208 nan 8.360 nan 0.000 0.459 583 L N 0.762 121.969 121.223 -0.028 0.000 2.027 583 L HA -0.121 4.195 4.340 -0.041 0.000 0.206 583 L C 2.474 179.219 176.870 -0.209 0.000 1.074 583 L CA 1.738 56.250 54.840 -0.548 0.000 0.745 583 L CB -0.905 40.712 42.059 -0.736 0.000 0.898 583 L HN 0.291 nan 8.230 nan 0.000 0.433 584 c N 0.113 118.666 118.600 -0.079 0.000 2.425 584 c HA -0.138 4.407 4.570 -0.041 0.000 0.277 584 c C 3.093 177.115 174.090 -0.113 0.000 1.280 584 c CA 1.106 57.396 56.329 -0.066 0.000 1.744 584 c CB -0.933 41.482 42.510 -0.158 0.000 1.989 584 c HN 0.721 nan 8.230 nan 0.000 0.491 585 R N 0.044 120.453 120.500 -0.152 0.000 2.073 585 R HA -0.080 4.235 4.340 -0.041 0.000 0.234 585 R C 2.408 178.702 176.300 -0.009 0.000 1.134 585 R CA 1.415 57.452 56.100 -0.105 0.000 0.952 585 R CB -0.298 29.958 30.300 -0.074 0.000 0.850 585 R HN 0.356 nan 8.270 nan 0.000 0.433 586 R N -0.143 120.365 120.500 0.014 0.000 2.096 586 R HA -0.160 4.155 4.340 -0.041 0.000 0.235 586 R C 1.881 178.213 176.300 0.054 0.000 1.127 586 R CA 1.006 57.125 56.100 0.031 0.000 0.968 586 R CB -0.895 29.451 30.300 0.075 0.000 0.861 586 R HN 0.463 nan 8.270 nan 0.000 0.440 587 W N 0.694 121.914 121.300 -0.134 0.000 2.418 587 W HA 0.014 4.649 4.660 -0.041 0.000 0.292 587 W C 1.727 178.221 176.519 -0.041 0.000 1.213 587 W CA 0.560 57.859 57.345 -0.077 0.000 1.283 587 W CB -0.143 29.267 29.460 -0.082 0.000 1.119 587 W HN -0.018 nan 8.180 nan 0.000 0.542 588 M N 0.347 120.055 119.600 0.179 0.000 2.117 588 M HA -0.216 4.239 4.480 -0.041 0.000 0.262 588 M C 1.927 178.253 176.300 0.044 0.000 1.065 588 M CA 1.611 56.947 55.300 0.061 0.000 1.114 588 M CB -1.465 31.110 32.600 -0.042 0.000 1.361 588 M HN 0.125 nan 8.290 nan 0.000 0.408 589 Q N -0.293 119.529 119.800 0.037 0.000 2.061 589 Q HA -0.209 4.107 4.340 -0.041 0.000 0.204 589 Q C 2.067 178.061 176.000 -0.011 0.000 0.984 589 Q CA 1.332 57.114 55.803 -0.034 0.000 0.846 589 Q CB -0.339 28.323 28.738 -0.126 0.000 0.902 589 Q HN 0.324 nan 8.270 nan 0.000 0.421 590 L N 0.252 121.478 121.223 0.005 0.000 2.027 590 L HA 0.007 4.323 4.340 -0.041 0.000 0.206 590 L C 2.113 178.899 176.870 -0.140 0.000 1.074 590 L CA 2.241 57.067 54.840 -0.023 0.000 0.745 590 L CB -1.082 40.940 42.059 -0.061 0.000 0.898 590 L HN 0.178 nan 8.230 nan 0.000 0.433 591 G N -0.919 107.820 108.800 -0.101 0.000 2.462 591 G HA2 -0.265 3.671 3.960 -0.041 0.000 0.220 591 G HA3 -0.265 3.671 3.960 -0.041 0.000 0.220 591 G C 1.565 176.483 174.900 0.031 0.000 1.121 591 G CA 0.746 45.810 45.100 -0.060 0.000 0.758 591 G HN 0.653 nan 8.290 nan 0.000 0.559 592 A N -0.052 122.721 122.820 -0.079 0.000 2.125 592 A HA 0.206 4.502 4.320 -0.041 0.000 0.219 592 A C 1.582 178.792 177.584 -0.623 0.000 1.156 592 A CA 0.852 52.687 52.037 -0.337 0.000 0.671 592 A CB -0.333 18.372 19.000 -0.491 0.000 0.794 592 A HN 0.352 nan 8.150 nan 0.000 0.459 593 F N -2.634 117.400 119.950 0.140 0.000 2.654 593 F HA 0.321 4.823 4.527 -0.041 0.000 0.303 593 F C -0.174 176.071 175.800 0.741 0.000 1.099 593 F CA -1.010 57.217 58.000 0.378 0.000 1.270 593 F CB -0.024 38.914 39.000 -0.104 0.000 1.024 593 F HN 0.034 nan 8.300 nan 0.000 0.548 594 Y N 2.096 122.760 120.300 0.607 0.000 2.346 594 Y HA 0.194 4.720 4.550 -0.040 0.000 0.330 594 Y C -1.203 174.953 175.900 0.428 0.000 1.178 594 Y CA -2.962 55.424 58.100 0.477 0.000 1.331 594 Y CB -0.020 38.617 38.460 0.296 0.000 1.253 594 Y HN -0.144 nan 8.280 nan 0.000 0.529 595 P HA -0.163 nan 4.420 nan 0.000 0.217 595 P C -0.139 177.420 177.300 0.431 0.000 1.150 595 P CA 1.330 64.667 63.100 0.394 0.000 0.832 595 P CB 0.189 32.074 31.700 0.309 0.000 0.787 596 F N 0.436 120.524 119.950 0.230 0.000 2.361 596 F HA 0.531 5.034 4.527 -0.041 0.000 0.364 596 F C -0.156 175.726 175.800 0.137 0.000 1.117 596 F CA -1.486 56.573 58.000 0.097 0.000 1.071 596 F CB 0.928 39.936 39.000 0.014 0.000 1.188 596 F HN -0.333 nan 8.300 nan 0.000 0.464 597 S N 7.844 123.322 115.700 -0.370 0.000 2.528 597 S HA 0.507 4.953 4.470 -0.041 0.000 0.303 597 S C -0.664 173.645 174.600 -0.486 0.000 1.123 597 S CA -0.592 57.535 58.200 -0.121 0.000 1.138 597 S CB -0.091 63.262 63.200 0.256 0.000 0.984 597 S HN 0.855 nan 8.310 nan 0.000 0.474 598 R N 3.976 124.071 120.500 -0.675 0.000 2.538 598 R HA 0.343 4.658 4.340 -0.041 0.000 0.292 598 R C -1.377 174.692 176.300 -0.384 0.000 1.008 598 R CA -0.644 55.003 56.100 -0.754 0.000 0.896 598 R CB 0.877 30.521 30.300 -1.093 0.000 1.187 598 R HN 0.561 nan 8.270 nan 0.000 0.440 599 N N 3.093 121.597 118.700 -0.327 0.000 2.414 599 N HA 0.107 4.822 4.740 -0.041 0.000 0.256 599 N C -1.602 173.865 175.510 -0.072 0.000 1.029 599 N CA 0.012 53.005 53.050 -0.096 0.000 0.948 599 N CB 0.852 39.421 38.487 0.136 0.000 1.102 599 N HN 0.666 nan 8.380 nan 0.000 0.496 600 H N 2.303 121.285 119.070 -0.146 0.000 2.821 600 H HA 0.571 5.102 4.556 -0.042 0.000 0.373 600 H C -1.420 173.966 175.328 0.096 0.000 1.165 600 H CA -0.697 55.325 56.048 -0.042 0.000 1.154 600 H CB 1.228 30.920 29.762 -0.116 0.000 1.765 600 H HN 0.570 nan 8.280 nan 0.000 0.549 601 N N 1.483 119.964 118.700 -0.366 0.000 2.277 601 N HA 0.443 5.158 4.740 -0.041 0.000 0.286 601 N C -0.393 174.781 175.510 -0.560 0.000 1.140 601 N CA 0.024 52.878 53.050 -0.327 0.000 0.799 601 N CB 2.254 40.640 38.487 -0.168 0.000 1.596 601 N HN 0.878 nan 8.380 nan 0.000 0.473 602 G N 0.120 108.416 108.800 -0.840 0.000 2.563 602 G HA2 0.214 4.149 3.960 -0.041 0.000 0.283 602 G HA3 0.214 4.149 3.960 -0.041 0.000 0.283 602 G C -0.623 174.115 174.900 -0.269 0.000 1.309 602 G CA -0.322 44.253 45.100 -0.875 0.000 1.022 602 G HN 0.669 nan 8.290 nan 0.000 0.501 603 Q N -0.715 118.892 119.800 -0.323 0.000 2.313 603 Q HA 0.412 4.727 4.340 -0.041 0.000 0.266 603 Q C 1.255 176.831 176.000 -0.707 0.000 0.989 603 Q CA 0.751 56.198 55.803 -0.594 0.000 0.890 603 Q CB 0.448 28.704 28.738 -0.803 0.000 1.200 603 Q HN 1.245 nan 8.270 nan 0.000 0.396 604 G N 2.541 111.018 108.800 -0.538 0.000 2.304 604 G HA2 -0.319 3.616 3.960 -0.041 0.000 0.252 604 G HA3 -0.319 3.616 3.960 -0.041 0.000 0.252 604 G C -0.511 174.123 174.900 -0.443 0.000 1.014 604 G CA 0.343 45.150 45.100 -0.490 0.000 0.619 604 G HN 0.647 nan 8.290 nan 0.000 0.525 605 Y N 1.730 121.926 120.300 -0.172 0.000 2.357 605 Y HA 0.422 4.947 4.550 -0.042 0.000 0.340 605 Y C 1.246 177.069 175.900 -0.128 0.000 1.260 605 Y CA -0.100 57.916 58.100 -0.140 0.000 1.425 605 Y CB 0.460 38.825 38.460 -0.159 0.000 1.326 605 Y HN 0.448 nan 8.280 nan 0.000 0.580 606 K N 1.679 122.119 120.400 0.067 0.000 2.469 606 K HA -0.037 4.258 4.320 -0.041 0.000 0.274 606 K C -0.843 175.729 176.600 -0.047 0.000 0.983 606 K CA -0.616 55.659 56.287 -0.021 0.000 0.974 606 K CB 0.348 32.829 32.500 -0.032 0.000 0.913 606 K HN 0.509 nan 8.250 nan 0.000 0.493 607 D N 2.489 122.835 120.400 -0.089 0.000 2.506 607 D HA -0.101 4.514 4.640 -0.041 0.000 0.234 607 D C 0.484 176.712 176.300 -0.119 0.000 1.143 607 D CA 0.616 54.563 54.000 -0.087 0.000 0.871 607 D CB 0.849 41.598 40.800 -0.085 0.000 1.190 607 D HN 0.709 nan 8.370 nan 0.000 0.459 608 Q N 0.206 120.009 119.800 0.006 0.000 2.064 608 Q HA 0.051 4.367 4.340 -0.041 0.000 0.213 608 Q C -0.553 175.636 176.000 0.314 0.000 0.779 608 Q CA -0.584 55.338 55.803 0.197 0.000 1.032 608 Q CB 0.299 29.149 28.738 0.186 0.000 1.203 608 Q HN 0.488 nan 8.270 nan 0.000 0.457 609 D N 1.260 121.773 120.400 0.189 0.000 2.449 609 D HA 0.001 4.616 4.640 -0.041 0.000 0.236 609 D C -1.769 174.704 176.300 0.287 0.000 1.149 609 D CA -1.010 53.109 54.000 0.199 0.000 0.878 609 D CB 1.375 42.262 40.800 0.144 0.000 1.198 609 D HN -0.121 nan 8.370 nan 0.000 0.446 610 P HA -0.169 nan 4.420 nan 0.000 0.215 610 P C 1.296 178.752 177.300 0.260 0.000 1.157 610 P CA 2.240 65.453 63.100 0.188 0.000 0.874 610 P CB -0.011 31.688 31.700 -0.002 0.000 0.790 611 A N -0.260 122.654 122.820 0.156 0.000 2.119 611 A HA -0.105 4.190 4.320 -0.041 0.000 0.217 611 A C 2.240 179.896 177.584 0.121 0.000 1.153 611 A CA 1.558 53.670 52.037 0.125 0.000 0.692 611 A CB -1.500 17.549 19.000 0.081 0.000 0.799 611 A HN 0.318 nan 8.150 nan 0.000 0.458 612 S N -0.785 114.979 115.700 0.106 0.000 2.442 612 S HA -0.106 4.339 4.470 -0.041 0.000 0.236 612 S C 1.309 175.804 174.600 -0.175 0.000 1.007 612 S CA 1.019 59.181 58.200 -0.062 0.000 0.965 612 S CB -0.832 62.267 63.200 -0.169 0.000 0.773 612 S HN 0.438 nan 8.310 nan 0.000 0.504 613 F N 2.539 122.500 119.950 0.019 0.000 2.802 613 F HA 0.396 4.899 4.527 -0.041 0.000 0.300 613 F C 1.546 177.356 175.800 0.017 0.000 1.168 613 F CA 0.472 58.483 58.000 0.019 0.000 1.433 613 F CB -0.302 38.710 39.000 0.020 0.000 1.115 613 F HN 0.514 nan 8.300 nan 0.000 0.582 614 G N -0.295 108.587 108.800 0.136 0.000 2.885 614 G HA2 0.158 4.094 3.960 -0.041 0.000 0.685 614 G HA3 0.158 4.094 3.960 -0.041 0.000 0.685 614 G C 0.440 175.388 174.900 0.081 0.000 1.216 614 G CA -0.747 44.405 45.100 0.087 0.000 0.790 614 G HN 0.262 nan 8.290 nan 0.000 0.631 615 A N 0.574 123.426 122.820 0.053 0.000 2.024 615 A HA 0.100 4.395 4.320 -0.041 0.000 0.220 615 A C 1.550 179.156 177.584 0.037 0.000 1.164 615 A CA 2.354 54.416 52.037 0.043 0.000 0.643 615 A CB -0.019 19.000 19.000 0.031 0.000 0.806 615 A HN 0.636 nan 8.150 nan 0.000 0.451 616 D N -0.498 119.924 120.400 0.037 0.000 2.538 616 D HA 0.126 4.741 4.640 -0.041 0.000 0.231 616 D C 0.163 176.483 176.300 0.033 0.000 1.229 616 D CA 0.429 54.445 54.000 0.028 0.000 0.828 616 D CB 0.318 41.130 40.800 0.020 0.000 1.035 616 D HN 0.478 nan 8.370 nan 0.000 0.495 617 S N 0.158 115.890 115.700 0.053 0.000 2.585 617 S HA 0.081 4.526 4.470 -0.041 0.000 0.273 617 S C 1.362 175.983 174.600 0.035 0.000 1.339 617 S CA -0.640 57.597 58.200 0.063 0.000 1.028 617 S CB 1.901 65.173 63.200 0.119 0.000 0.906 617 S HN 0.038 nan 8.310 nan 0.000 0.528 618 L N 2.143 123.383 121.223 0.028 0.000 2.079 618 L HA -0.030 4.285 4.340 -0.041 0.000 0.210 618 L C 2.125 178.990 176.870 -0.009 0.000 1.081 618 L CA 1.649 56.494 54.840 0.009 0.000 0.752 618 L CB -0.887 41.181 42.059 0.014 0.000 0.896 618 L HN 0.917 nan 8.230 nan 0.000 0.433 619 L N -1.633 119.569 121.223 -0.035 0.000 2.017 619 L HA -0.198 4.117 4.340 -0.041 0.000 0.208 619 L C 2.399 179.220 176.870 -0.082 0.000 1.073 619 L CA 1.537 56.303 54.840 -0.123 0.000 0.745 619 L CB -0.317 41.526 42.059 -0.360 0.000 0.894 619 L HN 0.391 nan 8.230 nan 0.000 0.432 620 L N 0.425 121.635 121.223 -0.021 0.000 2.017 620 L HA -0.207 4.108 4.340 -0.041 0.000 0.208 620 L C 2.252 179.111 176.870 -0.017 0.000 1.073 620 L CA 1.762 56.600 54.840 -0.005 0.000 0.745 620 L CB -1.017 41.067 42.059 0.042 0.000 0.894 620 L HN 0.327 nan 8.230 nan 0.000 0.432 621 N N -0.808 117.887 118.700 -0.008 0.000 2.069 621 N HA -0.199 4.517 4.740 -0.041 0.000 0.191 621 N C 2.070 177.576 175.510 -0.008 0.000 1.031 621 N CA 1.611 54.652 53.050 -0.015 0.000 0.852 621 N CB -0.594 37.878 38.487 -0.026 0.000 1.018 621 N HN 0.442 nan 8.380 nan 0.000 0.423 622 S N 0.209 115.914 115.700 0.009 0.000 2.368 622 S HA -0.022 4.423 4.470 -0.041 0.000 0.224 622 S C 2.049 176.725 174.600 0.127 0.000 1.029 622 S CA 1.151 59.400 58.200 0.081 0.000 0.988 622 S CB -0.216 63.059 63.200 0.125 0.000 0.838 622 S HN 0.262 nan 8.310 nan 0.000 0.462 623 S N 1.381 117.098 115.700 0.029 0.000 2.359 623 S HA -0.173 4.272 4.470 -0.041 0.000 0.223 623 S C 1.940 176.484 174.600 -0.093 0.000 1.039 623 S CA 1.633 59.804 58.200 -0.049 0.000 1.042 623 S CB -0.512 62.603 63.200 -0.141 0.000 0.915 623 S HN 0.604 nan 8.310 nan 0.000 0.439 624 R N 0.321 120.770 120.500 -0.086 0.000 2.096 624 R HA -0.146 4.169 4.340 -0.041 0.000 0.235 624 R C 2.400 178.645 176.300 -0.092 0.000 1.127 624 R CA 1.465 57.499 56.100 -0.109 0.000 0.968 624 R CB -0.429 29.829 30.300 -0.069 0.000 0.861 624 R HN 0.597 nan 8.270 nan 0.000 0.440 625 H N -0.694 118.276 119.070 -0.167 0.000 2.293 625 H HA -0.187 4.344 4.556 -0.041 0.000 0.300 625 H C 1.370 176.516 175.328 -0.304 0.000 1.082 625 H CA 2.254 58.145 56.048 -0.262 0.000 1.308 625 H CB -0.148 29.384 29.762 -0.383 0.000 1.375 625 H HN 0.329 nan 8.280 nan 0.000 0.495 626 Y N 0.365 120.619 120.300 -0.077 0.000 2.337 626 Y HA -0.069 4.456 4.550 -0.041 0.000 0.293 626 Y C 2.877 178.639 175.900 -0.230 0.000 1.123 626 Y CA 0.270 58.302 58.100 -0.112 0.000 1.201 626 Y CB 0.071 38.569 38.460 0.062 0.000 1.011 626 Y HN 0.107 nan 8.280 nan 0.000 0.545 627 L N -0.217 120.938 121.223 -0.113 0.000 2.131 627 L HA -0.248 4.067 4.340 -0.041 0.000 0.210 627 L C 1.661 178.465 176.870 -0.109 0.000 1.092 627 L CA 1.520 56.265 54.840 -0.157 0.000 0.759 627 L CB -0.505 41.383 42.059 -0.285 0.000 0.903 627 L HN 0.315 nan 8.230 nan 0.000 0.435 628 N N -0.146 118.457 118.700 -0.162 0.000 2.244 628 N HA -0.115 4.601 4.740 -0.041 0.000 0.183 628 N C 1.888 177.392 175.510 -0.011 0.000 1.016 628 N CA 0.758 53.745 53.050 -0.106 0.000 0.866 628 N CB 0.052 38.461 38.487 -0.131 0.000 0.980 628 N HN 0.253 nan 8.380 nan 0.000 0.430 629 I N 0.757 121.273 120.570 -0.090 0.000 2.202 629 I HA -0.247 3.899 4.170 -0.041 0.000 0.242 629 I C 2.583 178.742 176.117 0.071 0.000 1.091 629 I CA 0.796 62.083 61.300 -0.022 0.000 1.368 629 I CB -0.216 37.731 38.000 -0.089 0.000 1.058 629 I HN 0.152 nan 8.210 nan 0.000 0.410 630 R N 0.538 121.035 120.500 -0.006 0.000 2.094 630 R HA -0.260 4.055 4.340 -0.041 0.000 0.239 630 R C 2.474 178.979 176.300 0.341 0.000 1.137 630 R CA 2.175 58.342 56.100 0.111 0.000 0.943 630 R CB -0.530 29.767 30.300 -0.004 0.000 0.850 630 R HN 0.223 nan 8.270 nan 0.000 0.433 631 Y N 0.941 121.310 120.300 0.115 0.000 2.224 631 Y HA -0.158 4.367 4.550 -0.041 0.000 0.289 631 Y C 2.666 178.696 175.900 0.217 0.000 1.146 631 Y CA 1.886 60.086 58.100 0.165 0.000 1.182 631 Y CB -0.709 37.824 38.460 0.122 0.000 0.983 631 Y HN 0.165 nan 8.280 nan 0.000 0.524 632 T N 0.152 114.913 114.554 0.344 0.000 2.759 632 T HA -0.183 4.143 4.350 -0.041 0.000 0.269 632 T C 1.684 176.599 174.700 0.359 0.000 1.042 632 T CA 1.358 63.640 62.100 0.302 0.000 1.140 632 T CB -0.485 68.538 68.868 0.258 0.000 0.864 632 T HN 0.229 nan 8.240 nan 0.000 0.455 633 L N 0.618 122.085 121.223 0.407 0.000 2.629 633 L HA 0.282 4.597 4.340 -0.041 0.000 0.230 633 L C 1.795 179.031 176.870 0.609 0.000 1.151 633 L CA -0.094 55.079 54.840 0.556 0.000 0.924 633 L CB -0.343 42.102 42.059 0.642 0.000 1.137 633 L HN 0.233 nan 8.230 nan 0.000 0.457 634 L N 0.388 121.870 121.223 0.431 0.000 2.079 634 L HA -0.155 4.161 4.340 -0.041 0.000 0.210 634 L C -0.225 176.896 176.870 0.418 0.000 1.081 634 L CA 1.447 56.455 54.840 0.280 0.000 0.752 634 L CB -1.415 40.655 42.059 0.018 0.000 0.896 634 L HN 0.278 nan 8.230 nan 0.000 0.433 635 P HA -0.221 nan 4.420 nan 0.000 0.217 635 P C 1.265 178.989 177.300 0.706 0.000 1.150 635 P CA 1.260 64.820 63.100 0.768 0.000 0.832 635 P CB -0.046 32.065 31.700 0.686 0.000 0.787 636 Y N 0.530 121.149 120.300 0.533 0.000 2.089 636 Y HA -0.178 4.348 4.550 -0.041 0.000 0.282 636 Y C 2.138 178.281 175.900 0.405 0.000 1.139 636 Y CA 1.202 59.607 58.100 0.508 0.000 1.123 636 Y CB -1.258 37.565 38.460 0.605 0.000 0.980 636 Y HN -0.239 nan 8.280 nan 0.000 0.493 637 L N -0.367 120.984 121.223 0.213 0.000 2.021 637 L HA -0.282 4.033 4.340 -0.041 0.000 0.215 637 L C 2.254 179.212 176.870 0.146 0.000 1.074 637 L CA 2.184 56.955 54.840 -0.116 0.000 0.760 637 L CB -1.478 40.420 42.059 -0.268 0.000 0.889 637 L HN 0.434 nan 8.230 nan 0.000 0.433 638 Y N 0.050 120.426 120.300 0.126 0.000 2.181 638 Y HA -0.245 4.280 4.550 -0.041 0.000 0.288 638 Y C 2.519 178.597 175.900 0.297 0.000 1.146 638 Y CA 2.154 60.370 58.100 0.194 0.000 1.164 638 Y CB -0.809 37.781 38.460 0.216 0.000 0.982 638 Y HN 0.240 nan 8.280 nan 0.000 0.515 639 T N 0.900 115.650 114.554 0.327 0.000 2.867 639 T HA -0.137 4.188 4.350 -0.041 0.000 0.268 639 T C 2.119 176.877 174.700 0.097 0.000 1.057 639 T CA 1.448 63.713 62.100 0.276 0.000 1.136 639 T CB -0.402 68.715 68.868 0.414 0.000 0.874 639 T HN 0.276 nan 8.240 nan 0.000 0.466 640 L N -0.409 120.780 121.223 -0.056 0.000 2.056 640 L HA -0.011 4.304 4.340 -0.041 0.000 0.207 640 L C 2.224 178.934 176.870 -0.267 0.000 1.078 640 L CA 1.336 56.040 54.840 -0.226 0.000 0.749 640 L CB -0.569 41.234 42.059 -0.426 0.000 0.901 640 L HN 0.219 nan 8.230 nan 0.000 0.433 641 F N -0.620 119.209 119.950 -0.202 0.000 2.171 641 F HA -0.258 4.244 4.527 -0.041 0.000 0.300 641 F C 2.360 177.986 175.800 -0.291 0.000 1.090 641 F CA 1.512 59.379 58.000 -0.222 0.000 1.293 641 F CB -0.585 38.301 39.000 -0.190 0.000 1.013 641 F HN -0.002 nan 8.300 nan 0.000 0.486 642 F N 1.108 120.822 119.950 -0.393 0.000 2.126 642 F HA -0.199 4.303 4.527 -0.041 0.000 0.299 642 F C 2.364 177.920 175.800 -0.407 0.000 1.096 642 F CA 1.543 59.135 58.000 -0.680 0.000 1.255 642 F CB -0.293 37.899 39.000 -1.347 0.000 0.997 642 F HN -0.269 nan 8.300 nan 0.000 0.479 643 R N 0.826 120.995 120.500 -0.552 0.000 2.090 643 R HA 0.028 4.343 4.340 -0.041 0.000 0.228 643 R C 2.451 178.499 176.300 -0.421 0.000 1.110 643 R CA 1.104 56.869 56.100 -0.558 0.000 0.973 643 R CB -1.595 28.547 30.300 -0.263 0.000 0.869 643 R HN 0.450 nan 8.270 nan 0.000 0.440 644 A N 0.351 122.980 122.820 -0.318 0.000 1.877 644 A HA -0.232 4.063 4.320 -0.041 0.000 0.216 644 A C 2.096 179.531 177.584 -0.248 0.000 1.186 644 A CA 1.937 53.819 52.037 -0.257 0.000 0.620 644 A CB -0.753 18.104 19.000 -0.239 0.000 0.822 644 A HN 0.451 nan 8.150 nan 0.000 0.443 645 H N 0.630 119.503 119.070 -0.329 0.000 2.353 645 H HA -0.090 4.442 4.556 -0.041 0.000 0.300 645 H C 2.279 177.382 175.328 -0.374 0.000 1.090 645 H CA 2.398 58.256 56.048 -0.317 0.000 1.327 645 H CB 0.003 29.593 29.762 -0.286 0.000 1.383 645 H HN 0.533 nan 8.280 nan 0.000 0.508 646 S N -1.468 113.867 115.700 -0.609 0.000 2.483 646 S HA 0.089 4.534 4.470 -0.041 0.000 0.221 646 S C 2.105 176.431 174.600 -0.457 0.000 1.030 646 S CA 0.318 58.142 58.200 -0.626 0.000 0.925 646 S CB 0.387 63.075 63.200 -0.854 0.000 0.795 646 S HN 0.426 nan 8.310 nan 0.000 0.511 647 R N 0.180 120.426 120.500 -0.424 0.000 2.412 647 R HA 0.361 4.677 4.340 -0.041 0.000 0.212 647 R C 1.099 177.249 176.300 -0.250 0.000 0.878 647 R CA 0.835 56.760 56.100 -0.292 0.000 1.022 647 R CB 0.526 30.670 30.300 -0.261 0.000 1.265 647 R HN 0.545 nan 8.270 nan 0.000 0.620 648 G N 1.619 110.254 108.800 -0.275 0.000 2.138 648 G HA2 -0.192 3.743 3.960 -0.041 0.000 0.193 648 G HA3 -0.192 3.743 3.960 -0.041 0.000 0.193 648 G C -0.820 173.965 174.900 -0.192 0.000 0.998 648 G CA 0.072 45.024 45.100 -0.246 0.000 0.668 648 G HN 0.359 nan 8.290 nan 0.000 0.516 649 D N 1.491 121.783 120.400 -0.180 0.000 2.378 649 D HA 0.466 5.081 4.640 -0.041 0.000 0.238 649 D C 1.485 177.705 176.300 -0.133 0.000 1.180 649 D CA 1.043 54.968 54.000 -0.125 0.000 0.895 649 D CB 0.692 41.416 40.800 -0.127 0.000 1.192 649 D HN 0.450 nan 8.370 nan 0.000 0.438 650 T N -2.081 112.429 114.554 -0.074 0.000 2.828 650 T HA 0.349 4.674 4.350 -0.041 0.000 0.290 650 T C 0.931 175.525 174.700 -0.177 0.000 1.019 650 T CA -0.807 61.230 62.100 -0.105 0.000 1.031 650 T CB 0.928 69.766 68.868 -0.050 0.000 1.001 650 T HN 0.060 nan 8.240 nan 0.000 0.531 651 V N 0.472 120.235 119.914 -0.252 0.000 2.868 651 V HA 0.429 4.524 4.120 -0.041 0.000 0.227 651 V C 1.634 177.627 176.094 -0.169 0.000 1.136 651 V CA 0.497 62.567 62.300 -0.383 0.000 1.206 651 V CB -0.847 30.481 31.823 -0.824 0.000 0.997 651 V HN 1.152 nan 8.190 nan 0.000 0.505 652 A N 1.736 124.518 122.820 -0.063 0.000 2.451 652 A HA 0.507 4.803 4.320 -0.041 0.000 0.266 652 A C 0.198 177.829 177.584 0.078 0.000 1.119 652 A CA 0.327 52.481 52.037 0.195 0.000 0.786 652 A CB -0.235 18.863 19.000 0.164 0.000 1.061 652 A HN 0.462 nan 8.150 nan 0.000 0.503 653 R N 3.241 123.837 120.500 0.160 0.000 2.628 653 R HA 0.533 4.848 4.340 -0.041 0.000 0.288 653 R C -3.106 173.179 176.300 -0.026 0.000 0.980 653 R CA -2.005 54.083 56.100 -0.020 0.000 0.891 653 R CB 2.032 32.367 30.300 0.059 0.000 1.188 653 R HN 0.388 nan 8.270 nan 0.000 0.450 654 P HA 0.030 nan 4.420 nan 0.000 0.272 654 P C 0.339 177.708 177.300 0.115 0.000 1.223 654 P CA -0.339 62.675 63.100 -0.144 0.000 0.784 654 P CB 0.632 32.172 31.700 -0.267 0.000 0.923 655 L N 2.300 123.663 121.223 0.234 0.000 2.043 655 L HA -0.200 4.115 4.340 -0.041 0.000 0.212 655 L C 2.085 179.252 176.870 0.494 0.000 1.075 655 L CA 1.917 57.007 54.840 0.417 0.000 0.752 655 L CB -1.586 40.702 42.059 0.381 0.000 0.891 655 L HN 0.433 nan 8.230 nan 0.000 0.432 656 L N -3.441 118.037 121.223 0.426 0.000 2.265 656 L HA -0.153 4.162 4.340 -0.041 0.000 0.215 656 L C 2.242 179.413 176.870 0.501 0.000 1.117 656 L CA 1.624 56.759 54.840 0.492 0.000 0.782 656 L CB -1.241 41.093 42.059 0.457 0.000 0.914 656 L HN 0.319 nan 8.230 nan 0.000 0.441 657 H N -0.259 118.941 119.070 0.217 0.000 2.457 657 H HA -0.007 4.525 4.556 -0.041 0.000 0.294 657 H C 1.344 176.803 175.328 0.218 0.000 1.064 657 H CA 1.109 57.282 56.048 0.207 0.000 1.330 657 H CB 0.448 30.277 29.762 0.111 0.000 1.395 657 H HN 0.513 nan 8.280 nan 0.000 0.541 658 E N -0.016 120.269 120.200 0.141 0.000 2.389 658 E HA 0.024 4.350 4.350 -0.041 0.000 0.199 658 E C 0.049 176.219 176.600 -0.717 0.000 0.978 658 E CA 0.283 56.475 56.400 -0.347 0.000 0.912 658 E CB 0.460 29.736 29.700 -0.706 0.000 0.907 658 E HN 0.331 nan 8.360 nan 0.000 0.494 659 F N 0.558 120.547 119.950 0.066 0.000 2.841 659 F HA 0.135 4.637 4.527 -0.041 0.000 0.358 659 F C 0.861 176.697 175.800 0.060 0.000 1.261 659 F CA -0.903 57.101 58.000 0.007 0.000 1.233 659 F CB -0.439 38.671 39.000 0.183 0.000 1.008 659 F HN -0.037 nan 8.300 nan 0.000 0.507 660 Y N -1.016 119.523 120.300 0.398 0.000 2.403 660 Y HA -0.089 4.436 4.550 -0.041 0.000 0.291 660 Y C 1.595 177.837 175.900 0.570 0.000 1.143 660 Y CA 0.826 59.216 58.100 0.484 0.000 1.257 660 Y CB -1.094 37.520 38.460 0.256 0.000 0.984 660 Y HN 0.206 nan 8.280 nan 0.000 0.550 661 E N 0.142 120.495 120.200 0.254 0.000 2.409 661 E HA -0.133 4.192 4.350 -0.041 0.000 0.198 661 E C -0.009 176.726 176.600 0.227 0.000 1.024 661 E CA 0.804 57.386 56.400 0.303 0.000 0.861 661 E CB -0.005 29.792 29.700 0.161 0.000 0.788 661 E HN 0.339 nan 8.360 nan 0.000 0.521 662 D N 0.611 121.130 120.400 0.198 0.000 2.454 662 D HA -0.014 4.601 4.640 -0.041 0.000 0.225 662 D C 0.683 176.801 176.300 -0.303 0.000 1.081 662 D CA -0.402 53.608 54.000 0.016 0.000 0.864 662 D CB 0.373 41.253 40.800 0.133 0.000 1.040 662 D HN -0.042 nan 8.370 nan 0.000 0.517 663 N N 1.987 120.244 118.700 -0.739 0.000 2.443 663 N HA -0.171 4.545 4.740 -0.041 0.000 0.184 663 N C 0.796 175.779 175.510 -0.877 0.000 1.037 663 N CA 0.583 52.653 53.050 -1.634 0.000 0.896 663 N CB -0.179 37.348 38.487 -1.600 0.000 0.959 663 N HN 0.120 nan 8.380 nan 0.000 0.442 664 S N -0.315 115.047 115.700 -0.563 0.000 2.469 664 S HA -0.093 4.352 4.470 -0.041 0.000 0.238 664 S C 1.716 175.976 174.600 -0.566 0.000 0.998 664 S CA 1.454 59.293 58.200 -0.601 0.000 0.957 664 S CB -0.526 62.121 63.200 -0.921 0.000 0.764 664 S HN 0.824 nan 8.310 nan 0.000 0.514 665 T N -2.540 111.837 114.554 -0.294 0.000 3.065 665 T HA 0.042 4.367 4.350 -0.041 0.000 0.252 665 T C 1.107 176.006 174.700 0.331 0.000 1.099 665 T CA -0.150 61.974 62.100 0.041 0.000 1.063 665 T CB -0.288 68.741 68.868 0.267 0.000 0.948 665 T HN 0.380 nan 8.240 nan 0.000 0.506 666 W N 3.458 124.836 121.300 0.131 0.000 2.465 666 W HA 0.158 4.793 4.660 -0.041 0.000 0.268 666 W C 1.039 177.744 176.519 0.310 0.000 1.242 666 W CA 0.645 58.139 57.345 0.248 0.000 1.248 666 W CB -0.467 29.125 29.460 0.220 0.000 1.118 666 W HN 0.609 nan 8.180 nan 0.000 0.587 667 D N -1.907 118.745 120.400 0.420 0.000 2.469 667 D HA 0.070 4.685 4.640 -0.041 0.000 0.215 667 D C 0.177 176.708 176.300 0.385 0.000 1.154 667 D CA -0.011 54.220 54.000 0.385 0.000 0.832 667 D CB -0.766 40.196 40.800 0.271 0.000 1.008 667 D HN -0.244 nan 8.370 nan 0.000 0.506 668 V N 2.266 122.356 119.914 0.292 0.000 2.450 668 V HA 0.119 4.215 4.120 -0.041 0.000 0.281 668 V C 0.634 176.886 176.094 0.264 0.000 1.019 668 V CA 0.449 62.863 62.300 0.190 0.000 1.062 668 V CB 0.002 31.901 31.823 0.126 0.000 0.979 668 V HN 0.529 nan 8.190 nan 0.000 0.477 669 H N 1.503 120.675 119.070 0.170 0.000 3.367 669 H HA 0.315 4.847 4.556 -0.041 0.000 0.257 669 H C 0.995 176.406 175.328 0.138 0.000 1.201 669 H CA -0.258 55.884 56.048 0.156 0.000 1.102 669 H CB 0.170 30.067 29.762 0.225 0.000 1.656 669 H HN 0.504 nan 8.280 nan 0.000 0.662 670 Q N 0.517 120.193 119.800 -0.206 0.000 2.282 670 Q HA 0.243 4.559 4.340 -0.041 0.000 0.206 670 Q C -0.308 175.704 176.000 0.020 0.000 0.878 670 Q CA 0.235 55.975 55.803 -0.105 0.000 0.944 670 Q CB 0.899 29.522 28.738 -0.192 0.000 1.100 670 Q HN 0.565 nan 8.270 nan 0.000 0.509 671 Q N -0.245 119.600 119.800 0.076 0.000 2.456 671 Q HA 0.587 4.902 4.340 -0.041 0.000 0.284 671 Q C -1.179 174.982 176.000 0.268 0.000 1.061 671 Q CA -0.755 55.107 55.803 0.098 0.000 0.799 671 Q CB 2.243 30.964 28.738 -0.028 0.000 1.445 671 Q HN 0.089 nan 8.270 nan 0.000 0.411 672 F N -1.665 118.284 119.950 -0.002 0.000 2.745 672 F HA 0.742 5.245 4.527 -0.040 0.000 0.316 672 F C -1.991 173.862 175.800 0.089 0.000 1.155 672 F CA -1.374 56.652 58.000 0.044 0.000 0.937 672 F CB 1.104 40.137 39.000 0.056 0.000 1.361 672 F HN 0.314 nan 8.300 nan 0.000 0.472 673 L N 1.139 122.480 121.223 0.197 0.000 2.334 673 L HA 0.380 4.696 4.340 -0.041 0.000 0.273 673 L C -1.319 175.794 176.870 0.405 0.000 1.013 673 L CA -0.702 54.251 54.840 0.188 0.000 0.816 673 L CB 1.389 43.621 42.059 0.288 0.000 1.278 673 L HN 0.558 nan 8.230 nan 0.000 0.431 674 W N 2.491 123.866 121.300 0.125 0.000 2.358 674 W HA 0.495 5.130 4.660 -0.041 0.000 0.307 674 W C 0.950 177.611 176.519 0.237 0.000 1.203 674 W CA 0.154 57.632 57.345 0.222 0.000 1.279 674 W CB 0.131 29.791 29.460 0.334 0.000 1.264 674 W HN 0.801 nan 8.180 nan 0.000 0.474 675 G N 5.726 114.674 108.800 0.247 0.000 2.581 675 G HA2 -0.298 3.637 3.960 -0.041 0.000 0.291 675 G HA3 -0.298 3.637 3.960 -0.041 0.000 0.291 675 G C -1.334 173.692 174.900 0.210 0.000 1.277 675 G CA 0.294 45.484 45.100 0.149 0.000 0.959 675 G HN 0.358 nan 8.290 nan 0.000 0.554 676 P HA 0.157 nan 4.420 nan 0.000 0.235 676 P C 1.293 178.514 177.300 -0.132 0.000 1.177 676 P CA 2.043 65.104 63.100 -0.065 0.000 0.785 676 P CB 0.171 31.729 31.700 -0.236 0.000 0.885 677 G N -0.758 108.127 108.800 0.142 0.000 2.944 677 G HA2 0.232 4.167 3.960 -0.041 0.000 0.223 677 G HA3 0.232 4.167 3.960 -0.041 0.000 0.223 677 G C -0.143 175.108 174.900 0.584 0.000 1.071 677 G CA 0.169 45.420 45.100 0.252 0.000 0.806 677 G HN 0.191 nan 8.290 nan 0.000 0.538 678 L N 1.521 123.054 121.223 0.518 0.000 2.319 678 L HA 0.726 5.041 4.340 -0.041 0.000 0.281 678 L C -1.201 175.745 176.870 0.126 0.000 1.005 678 L CA -1.134 53.859 54.840 0.255 0.000 0.828 678 L CB 1.812 43.951 42.059 0.135 0.000 1.227 678 L HN -0.064 nan 8.230 nan 0.000 0.415 679 L N 6.565 127.814 121.223 0.043 0.000 2.264 679 L HA 0.599 4.914 4.340 -0.041 0.000 0.289 679 L C -0.883 175.765 176.870 -0.370 0.000 1.044 679 L CA 0.134 54.863 54.840 -0.185 0.000 0.807 679 L CB 0.921 42.692 42.059 -0.479 0.000 1.192 679 L HN 0.574 nan 8.230 nan 0.000 0.425 680 I N 4.457 124.701 120.570 -0.543 0.000 2.354 680 I HA 0.409 4.554 4.170 -0.041 0.000 0.292 680 I C -0.134 175.716 176.117 -0.444 0.000 0.989 680 I CA 0.041 60.930 61.300 -0.686 0.000 1.188 680 I CB 1.700 39.028 38.000 -1.121 0.000 1.342 680 I HN 0.554 nan 8.210 nan 0.000 0.457 681 T N 6.987 121.337 114.554 -0.339 0.000 3.141 681 T HA 0.328 4.653 4.350 -0.041 0.000 0.377 681 T C -2.598 171.993 174.700 -0.182 0.000 1.258 681 T CA -1.129 60.843 62.100 -0.213 0.000 1.263 681 T CB 0.827 69.584 68.868 -0.184 0.000 1.066 681 T HN 0.306 nan 8.240 nan 0.000 0.546 682 P HA 0.333 nan 4.420 nan 0.000 0.277 682 P C -0.289 176.974 177.300 -0.063 0.000 1.240 682 P CA -0.447 62.592 63.100 -0.102 0.000 0.798 682 P CB 1.069 32.740 31.700 -0.048 0.000 0.979 683 V N 3.887 123.777 119.914 -0.039 0.000 2.455 683 V HA 0.053 4.149 4.120 -0.041 0.000 0.273 683 V C 1.402 177.540 176.094 0.073 0.000 1.045 683 V CA 0.405 62.707 62.300 0.003 0.000 0.976 683 V CB 0.101 31.935 31.823 0.019 0.000 0.993 683 V HN 0.444 nan 8.190 nan 0.000 0.475 684 L N 3.603 124.863 121.223 0.061 0.000 3.016 684 L HA 0.444 4.760 4.340 -0.041 0.000 0.267 684 L C -0.153 176.810 176.870 0.154 0.000 1.182 684 L CA 0.119 55.036 54.840 0.129 0.000 0.997 684 L CB 0.457 42.537 42.059 0.034 0.000 1.354 684 L HN 0.565 nan 8.230 nan 0.000 0.569 685 D N 1.022 121.375 120.400 -0.077 0.000 2.505 685 D HA 0.140 4.755 4.640 -0.041 0.000 0.249 685 D C -0.525 175.193 176.300 -0.969 0.000 1.082 685 D CA -0.352 53.395 54.000 -0.423 0.000 0.839 685 D CB 2.397 43.039 40.800 -0.263 0.000 1.317 685 D HN 0.002 nan 8.370 nan 0.000 0.497 686 E N 0.324 119.542 120.200 -1.636 0.000 2.558 686 E HA 0.167 4.493 4.350 -0.041 0.000 0.255 686 E C 1.026 177.233 176.600 -0.655 0.000 0.968 686 E CA 0.745 56.194 56.400 -1.585 0.000 0.939 686 E CB 0.226 29.144 29.700 -1.303 0.000 0.921 686 E HN 0.756 nan 8.360 nan 0.000 0.477 687 G N 2.529 111.091 108.800 -0.397 0.000 2.199 687 G HA2 -0.324 3.611 3.960 -0.041 0.000 0.254 687 G HA3 -0.324 3.611 3.960 -0.041 0.000 0.254 687 G C 0.243 175.054 174.900 -0.149 0.000 0.982 687 G CA 0.081 45.066 45.100 -0.191 0.000 0.632 687 G HN 0.858 nan 8.290 nan 0.000 0.529 688 A N 0.063 122.770 122.820 -0.188 0.000 2.388 688 A HA 0.686 4.981 4.320 -0.041 0.000 0.257 688 A C 0.687 178.234 177.584 -0.062 0.000 1.095 688 A CA 0.501 52.465 52.037 -0.123 0.000 0.791 688 A CB 0.368 19.283 19.000 -0.142 0.000 1.029 688 A HN 0.405 nan 8.150 nan 0.000 0.489 689 E N 0.799 120.971 120.200 -0.046 0.000 2.887 689 E HA 0.169 4.495 4.350 -0.041 0.000 0.206 689 E C -0.826 175.759 176.600 -0.025 0.000 0.983 689 E CA 0.074 56.461 56.400 -0.022 0.000 1.141 689 E CB 0.499 30.192 29.700 -0.012 0.000 1.061 689 E HN 0.623 nan 8.360 nan 0.000 0.468 690 K N 0.306 120.680 120.400 -0.043 0.000 2.536 690 K HA 0.561 4.856 4.320 -0.041 0.000 0.269 690 K C -1.689 174.868 176.600 -0.071 0.000 0.965 690 K CA -0.734 55.521 56.287 -0.053 0.000 0.860 690 K CB 3.226 35.691 32.500 -0.059 0.000 1.423 690 K HN -0.130 nan 8.250 nan 0.000 0.438 691 V N 2.796 122.656 119.914 -0.091 0.000 2.808 691 V HA 0.402 4.497 4.120 -0.041 0.000 0.308 691 V C -1.320 174.688 176.094 -0.143 0.000 1.099 691 V CA -0.839 61.397 62.300 -0.107 0.000 0.920 691 V CB 2.018 33.781 31.823 -0.100 0.000 1.014 691 V HN 0.687 nan 8.190 nan 0.000 0.425 692 M N 5.266 124.787 119.600 -0.131 0.000 2.194 692 M HA 0.556 5.011 4.480 -0.041 0.000 0.347 692 M C 0.101 176.309 176.300 -0.154 0.000 1.439 692 M CA 0.395 55.608 55.300 -0.146 0.000 1.131 692 M CB 0.325 32.861 32.600 -0.106 0.000 1.733 692 M HN 0.832 nan 8.290 nan 0.000 0.467 693 A N 4.529 127.222 122.820 -0.212 0.000 2.469 693 A HA 0.666 4.962 4.320 -0.041 0.000 0.299 693 A C -1.815 175.651 177.584 -0.197 0.000 1.098 693 A CA -0.651 51.259 52.037 -0.212 0.000 0.737 693 A CB 1.400 20.223 19.000 -0.295 0.000 1.312 693 A HN 0.672 nan 8.150 nan 0.000 0.414 694 Y N 1.419 121.559 120.300 -0.267 0.000 2.326 694 Y HA 0.511 5.036 4.550 -0.041 0.000 0.337 694 Y C -0.485 175.204 175.900 -0.352 0.000 1.023 694 Y CA -0.367 57.575 58.100 -0.264 0.000 1.143 694 Y CB 1.448 39.804 38.460 -0.173 0.000 1.183 694 Y HN 0.395 nan 8.280 nan 0.000 0.485 695 V N 9.718 129.020 119.914 -1.020 0.000 2.318 695 V HA 0.307 4.403 4.120 -0.041 0.000 0.271 695 V C -2.134 173.425 176.094 -0.892 0.000 1.030 695 V CA -2.044 59.733 62.300 -0.872 0.000 0.844 695 V CB 0.745 32.223 31.823 -0.576 0.000 1.015 695 V HN 0.727 nan 8.190 nan 0.000 0.460 696 P HA 0.040 nan 4.420 nan 0.000 0.272 696 P C -0.198 177.029 177.300 -0.121 0.000 1.254 696 P CA -0.343 62.501 63.100 -0.427 0.000 0.795 696 P CB 0.475 31.488 31.700 -1.144 0.000 1.022 697 D N 0.206 120.535 120.400 -0.119 0.000 2.541 697 D HA 0.343 4.959 4.640 -0.041 0.000 0.231 697 D C -0.675 175.666 176.300 0.069 0.000 1.163 697 D CA 0.514 54.535 54.000 0.035 0.000 1.077 697 D CB -1.242 39.625 40.800 0.111 0.000 1.110 697 D HN 0.328 nan 8.370 nan 0.000 0.499 698 A N 1.631 124.439 122.820 -0.018 0.000 2.601 698 A HA 0.480 4.775 4.320 -0.041 0.000 0.291 698 A C -1.007 176.347 177.584 -0.384 0.000 1.075 698 A CA -0.735 51.164 52.037 -0.231 0.000 0.671 698 A CB 1.000 19.689 19.000 -0.519 0.000 1.277 698 A HN 0.050 nan 8.150 nan 0.000 0.417 699 V N 0.643 120.326 119.914 -0.386 0.000 2.572 699 V HA 0.279 4.375 4.120 -0.041 0.000 0.291 699 V C -0.736 174.968 176.094 -0.650 0.000 1.039 699 V CA 0.812 62.876 62.300 -0.395 0.000 1.055 699 V CB -0.056 31.601 31.823 -0.276 0.000 0.969 699 V HN 0.698 nan 8.190 nan 0.000 0.482 700 W N 4.133 125.252 121.300 -0.301 0.000 2.844 700 W HA 0.667 5.302 4.660 -0.041 0.000 0.340 700 W C -1.015 175.289 176.519 -0.358 0.000 1.093 700 W CA -0.623 56.602 57.345 -0.201 0.000 1.212 700 W CB 1.439 30.850 29.460 -0.083 0.000 1.422 700 W HN 0.404 nan 8.180 nan 0.000 0.515 701 Y N 1.242 121.769 120.300 0.378 0.000 2.376 701 Y HA 0.156 4.681 4.550 -0.041 0.000 0.340 701 Y C 0.415 176.451 175.900 0.226 0.000 0.965 701 Y CA -1.323 56.910 58.100 0.221 0.000 1.078 701 Y CB 1.195 39.720 38.460 0.107 0.000 1.193 701 Y HN 0.307 nan 8.280 nan 0.000 0.452 702 D N 2.247 122.818 120.400 0.285 0.000 2.520 702 D HA -0.168 4.448 4.640 -0.041 0.000 0.243 702 D C 0.694 176.991 176.300 -0.004 0.000 1.160 702 D CA 0.589 54.606 54.000 0.029 0.000 0.877 702 D CB 0.563 41.377 40.800 0.023 0.000 1.150 702 D HN 0.800 nan 8.370 nan 0.000 0.494 703 Y N 4.649 124.837 120.300 -0.186 0.000 2.165 703 Y HA -0.200 4.325 4.550 -0.041 0.000 0.286 703 Y C 1.919 177.763 175.900 -0.094 0.000 1.155 703 Y CA 1.723 59.734 58.100 -0.149 0.000 1.164 703 Y CB 0.270 38.607 38.460 -0.205 0.000 0.978 703 Y HN 0.531 nan 8.280 nan 0.000 0.513 704 E N -1.037 119.158 120.200 -0.009 0.000 2.076 704 E HA -0.131 4.195 4.350 -0.041 0.000 0.190 704 E C 2.146 178.677 176.600 -0.114 0.000 0.979 704 E CA 1.716 58.090 56.400 -0.043 0.000 0.807 704 E CB -0.147 29.620 29.700 0.112 0.000 0.761 704 E HN 0.626 nan 8.360 nan 0.000 0.454 705 T N -3.138 111.370 114.554 -0.076 0.000 3.035 705 T HA 0.165 4.491 4.350 -0.041 0.000 0.259 705 T C 1.666 176.309 174.700 -0.095 0.000 1.078 705 T CA 0.743 62.798 62.100 -0.075 0.000 1.132 705 T CB 0.442 69.284 68.868 -0.044 0.000 0.900 705 T HN 0.290 nan 8.240 nan 0.000 0.480 706 G N 1.630 110.375 108.800 -0.092 0.000 2.179 706 G HA2 -0.283 3.653 3.960 -0.041 0.000 0.260 706 G HA3 -0.283 3.653 3.960 -0.041 0.000 0.260 706 G C 0.297 175.231 174.900 0.056 0.000 0.977 706 G CA 0.455 45.510 45.100 -0.076 0.000 0.641 706 G HN 1.377 nan 8.290 nan 0.000 0.533 707 S N -0.398 115.339 115.700 0.062 0.000 2.565 707 S HA 0.538 4.984 4.470 -0.041 0.000 0.276 707 S C 0.253 174.959 174.600 0.176 0.000 1.326 707 S CA 0.226 58.483 58.200 0.094 0.000 1.045 707 S CB 1.715 64.917 63.200 0.003 0.000 0.918 707 S HN 0.643 nan 8.310 nan 0.000 0.505 708 Q N 2.134 122.034 119.800 0.168 0.000 2.297 708 Q HA 0.314 4.629 4.340 -0.041 0.000 0.267 708 Q C 0.140 176.058 176.000 -0.136 0.000 1.006 708 Q CA -0.722 55.054 55.803 -0.044 0.000 0.896 708 Q CB 0.605 29.287 28.738 -0.094 0.000 1.186 708 Q HN 0.790 nan 8.270 nan 0.000 0.392 709 V N 2.536 122.345 119.914 -0.176 0.000 2.924 709 V HA 0.159 4.254 4.120 -0.041 0.000 0.305 709 V C 1.054 176.926 176.094 -0.369 0.000 1.073 709 V CA 0.107 62.191 62.300 -0.361 0.000 1.098 709 V CB 1.205 32.792 31.823 -0.394 0.000 1.000 709 V HN 1.013 nan 8.190 nan 0.000 0.484 710 R N 1.826 121.982 120.500 -0.572 0.000 2.153 710 R HA 0.091 4.406 4.340 -0.041 0.000 0.218 710 R C 0.334 176.509 176.300 -0.208 0.000 1.072 710 R CA 0.240 56.123 56.100 -0.362 0.000 0.990 710 R CB -0.146 29.951 30.300 -0.339 0.000 0.889 710 R HN 0.711 nan 8.270 nan 0.000 0.452 711 W N 2.311 123.560 121.300 -0.084 0.000 2.181 711 W HA 0.321 4.957 4.660 -0.041 0.000 0.335 711 W C 0.301 176.768 176.519 -0.087 0.000 1.310 711 W CA -0.594 56.681 57.345 -0.116 0.000 1.226 711 W CB 0.146 29.491 29.460 -0.192 0.000 1.155 711 W HN 0.139 nan 8.180 nan 0.000 0.565 712 R N 2.164 122.741 120.500 0.127 0.000 2.522 712 R HA 0.124 4.439 4.340 -0.041 0.000 0.273 712 R C -0.150 176.126 176.300 -0.039 0.000 1.133 712 R CA -0.839 55.295 56.100 0.057 0.000 0.969 712 R CB 0.884 31.212 30.300 0.047 0.000 1.235 712 R HN 0.568 nan 8.270 nan 0.000 0.433 713 K N 2.983 123.303 120.400 -0.133 0.000 3.244 713 K HA -0.243 4.052 4.320 -0.041 0.000 0.270 713 K C -1.551 174.941 176.600 -0.180 0.000 1.016 713 K CA 1.778 57.977 56.287 -0.147 0.000 0.754 713 K CB -0.743 31.768 32.500 0.018 0.000 1.326 713 K HN 0.790 nan 8.250 nan 0.000 0.465 714 Q N -0.667 118.821 119.800 -0.520 0.000 2.578 714 Q HA 0.329 4.644 4.340 -0.041 0.000 0.284 714 Q C -1.559 174.184 176.000 -0.427 0.000 0.960 714 Q CA -1.376 54.266 55.803 -0.269 0.000 0.809 714 Q CB 1.028 29.685 28.738 -0.136 0.000 1.462 714 Q HN 0.116 nan 8.270 nan 0.000 0.392 715 K N 1.257 121.593 120.400 -0.107 0.000 2.249 715 K HA 0.522 4.817 4.320 -0.041 0.000 0.280 715 K C -0.522 175.894 176.600 -0.307 0.000 1.033 715 K CA -0.343 55.874 56.287 -0.117 0.000 0.946 715 K CB 1.213 33.715 32.500 0.004 0.000 1.005 715 K HN 0.532 nan 8.250 nan 0.000 0.469 716 V N 0.542 120.177 119.914 -0.464 0.000 3.078 716 V HA 0.494 4.590 4.120 -0.041 0.000 0.311 716 V C -1.186 174.618 176.094 -0.482 0.000 1.138 716 V CA -1.055 60.857 62.300 -0.647 0.000 1.007 716 V CB 1.705 32.675 31.823 -1.421 0.000 1.045 716 V HN 0.892 nan 8.190 nan 0.000 0.432 717 E N 3.165 123.135 120.200 -0.384 0.000 2.081 717 E HA 0.544 4.869 4.350 -0.041 0.000 0.281 717 E C -0.526 175.909 176.600 -0.274 0.000 0.986 717 E CA -0.566 55.678 56.400 -0.260 0.000 0.796 717 E CB 1.642 31.255 29.700 -0.146 0.000 1.085 717 E HN 0.790 nan 8.360 nan 0.000 0.398 718 M N 3.480 122.914 119.600 -0.276 0.000 2.180 718 M HA 0.140 4.595 4.480 -0.041 0.000 0.358 718 M C -0.456 175.825 176.300 -0.031 0.000 1.233 718 M CA -0.445 54.753 55.300 -0.169 0.000 1.114 718 M CB 0.969 33.458 32.600 -0.184 0.000 1.594 718 M HN 0.528 nan 8.290 nan 0.000 0.467 719 E N 6.641 126.878 120.200 0.062 0.000 2.180 719 E HA 0.262 4.587 4.350 -0.041 0.000 0.283 719 E C -1.135 175.490 176.600 0.042 0.000 1.061 719 E CA 0.033 56.459 56.400 0.044 0.000 0.861 719 E CB 0.587 30.326 29.700 0.065 0.000 1.056 719 E HN 0.661 nan 8.360 nan 0.000 0.407 720 L N 5.701 126.933 121.223 0.015 0.000 2.490 720 L HA 0.269 4.584 4.340 -0.041 0.000 0.256 720 L C -2.292 174.587 176.870 0.015 0.000 1.089 720 L CA -1.922 52.927 54.840 0.015 0.000 0.916 720 L CB 1.563 43.617 42.059 -0.008 0.000 1.188 720 L HN 0.159 nan 8.230 nan 0.000 0.476 721 P HA 0.036 nan 4.420 nan 0.000 0.272 721 P C 1.073 178.393 177.300 0.033 0.000 1.254 721 P CA -0.126 62.987 63.100 0.022 0.000 0.795 721 P CB 0.856 32.568 31.700 0.020 0.000 1.022 722 G N 0.643 109.463 108.800 0.033 0.000 2.501 722 G HA2 -0.231 3.704 3.960 -0.041 0.000 0.220 722 G HA3 -0.231 3.704 3.960 -0.041 0.000 0.220 722 G C 0.720 175.655 174.900 0.058 0.000 1.114 722 G CA 0.774 45.901 45.100 0.046 0.000 0.757 722 G HN 0.639 nan 8.290 nan 0.000 0.559 723 D N -0.920 119.516 120.400 0.060 0.000 2.340 723 D HA 0.112 4.728 4.640 -0.041 0.000 0.217 723 D C 0.435 176.860 176.300 0.208 0.000 1.081 723 D CA 0.104 54.159 54.000 0.091 0.000 0.842 723 D CB 0.325 41.135 40.800 0.017 0.000 0.934 723 D HN -0.029 nan 8.370 nan 0.000 0.511 724 K N 0.569 121.065 120.400 0.160 0.000 2.375 724 K HA 0.564 4.860 4.320 -0.041 0.000 0.249 724 K C -0.733 175.855 176.600 -0.019 0.000 0.942 724 K CA -0.863 55.534 56.287 0.183 0.000 0.806 724 K CB 2.913 35.483 32.500 0.116 0.000 1.227 724 K HN 0.127 nan 8.250 nan 0.000 0.430 725 I N -0.792 119.648 120.570 -0.216 0.000 2.689 725 I HA 0.491 4.636 4.170 -0.041 0.000 0.299 725 I C -0.092 175.868 176.117 -0.262 0.000 1.059 725 I CA -0.675 60.430 61.300 -0.324 0.000 1.055 725 I CB 2.082 39.735 38.000 -0.577 0.000 1.243 725 I HN 0.622 nan 8.210 nan 0.000 0.425 726 G N 7.227 115.903 108.800 -0.207 0.000 2.361 726 G HA2 0.478 4.414 3.960 -0.041 0.000 0.260 726 G HA3 0.478 4.414 3.960 -0.041 0.000 0.260 726 G C -1.003 173.704 174.900 -0.321 0.000 1.261 726 G CA -0.271 44.740 45.100 -0.149 0.000 0.897 726 G HN 0.541 nan 8.290 nan 0.000 0.499 727 L N 2.746 123.714 121.223 -0.426 0.000 2.439 727 L HA 0.402 4.718 4.340 -0.041 0.000 0.270 727 L C -0.996 175.538 176.870 -0.560 0.000 0.972 727 L CA -0.859 53.687 54.840 -0.491 0.000 0.836 727 L CB 2.270 44.019 42.059 -0.518 0.000 1.255 727 L HN 0.600 nan 8.230 nan 0.000 0.404 728 H N 2.799 121.802 119.070 -0.112 0.000 2.717 728 H HA 0.582 5.114 4.556 -0.041 0.000 0.366 728 H C -0.901 174.583 175.328 0.260 0.000 1.132 728 H CA -0.501 55.606 56.048 0.098 0.000 1.180 728 H CB 2.277 32.064 29.762 0.041 0.000 1.678 728 H HN 0.361 nan 8.280 nan 0.000 0.537 729 L N 2.314 123.789 121.223 0.419 0.000 2.289 729 L HA 0.432 4.747 4.340 -0.041 0.000 0.285 729 L C 0.514 177.730 176.870 0.576 0.000 1.049 729 L CA -0.622 54.419 54.840 0.336 0.000 0.804 729 L CB 1.162 43.226 42.059 0.009 0.000 1.195 729 L HN 0.428 nan 8.230 nan 0.000 0.428 730 R N 1.869 122.657 120.500 0.479 0.000 2.316 730 R HA 0.239 4.555 4.340 -0.041 0.000 0.314 730 R C 0.270 176.757 176.300 0.312 0.000 1.069 730 R CA -0.324 55.775 56.100 -0.001 0.000 0.959 730 R CB 0.859 31.085 30.300 -0.123 0.000 0.987 730 R HN 0.815 nan 8.270 nan 0.000 0.446 731 G N 1.747 110.617 108.800 0.118 0.000 2.305 731 G HA2 0.316 4.251 3.960 -0.041 0.000 0.243 731 G HA3 0.316 4.251 3.960 -0.041 0.000 0.243 731 G C 0.814 175.843 174.900 0.215 0.000 1.288 731 G CA 0.344 45.606 45.100 0.270 0.000 0.901 731 G HN 0.934 nan 8.290 nan 0.000 0.516 732 G N 0.706 109.593 108.800 0.145 0.000 2.192 732 G HA2 -0.187 3.749 3.960 -0.041 0.000 0.193 732 G HA3 -0.187 3.749 3.960 -0.041 0.000 0.193 732 G C -0.052 174.558 174.900 -0.482 0.000 0.999 732 G CA 0.099 45.114 45.100 -0.141 0.000 0.659 732 G HN 0.793 nan 8.290 nan 0.000 0.503 733 Y N -0.326 119.989 120.300 0.025 0.000 2.485 733 Y HA 0.759 5.285 4.550 -0.041 0.000 0.345 733 Y C 0.470 176.203 175.900 -0.279 0.000 0.998 733 Y CA -1.124 56.869 58.100 -0.178 0.000 1.059 733 Y CB 1.730 40.002 38.460 -0.313 0.000 1.234 733 Y HN 0.071 nan 8.280 nan 0.000 0.461 734 I N 3.536 123.961 120.570 -0.243 0.000 2.389 734 I HA 0.342 4.487 4.170 -0.041 0.000 0.288 734 I C -1.385 174.556 176.117 -0.293 0.000 0.999 734 I CA -0.553 60.652 61.300 -0.158 0.000 1.129 734 I CB 1.097 39.081 38.000 -0.027 0.000 1.288 734 I HN 0.402 nan 8.210 nan 0.000 0.444 735 F N 7.465 127.422 119.950 0.013 0.000 2.402 735 F HA 0.429 4.931 4.527 -0.041 0.000 0.355 735 F C -2.143 173.695 175.800 0.065 0.000 1.123 735 F CA -2.505 55.498 58.000 0.005 0.000 1.021 735 F CB 1.243 40.173 39.000 -0.117 0.000 1.160 735 F HN 0.207 nan 8.300 nan 0.000 0.451 736 P HA 0.209 nan 4.420 nan 0.000 0.280 736 P C -0.528 177.028 177.300 0.426 0.000 1.244 736 P CA -0.179 63.141 63.100 0.366 0.000 0.784 736 P CB 1.570 33.593 31.700 0.538 0.000 0.913 737 T N -0.147 114.610 114.554 0.337 0.000 2.901 737 T HA 0.597 4.922 4.350 -0.041 0.000 0.293 737 T C -1.016 173.827 174.700 0.239 0.000 1.084 737 T CA -0.780 61.506 62.100 0.311 0.000 1.008 737 T CB 2.056 71.072 68.868 0.247 0.000 1.170 737 T HN 0.476 nan 8.240 nan 0.000 0.509 738 Q N 0.713 120.652 119.800 0.231 0.000 2.284 738 Q HA 0.296 4.611 4.340 -0.041 0.000 0.269 738 Q C -1.023 175.077 176.000 0.167 0.000 1.026 738 Q CA -0.616 55.282 55.803 0.159 0.000 0.831 738 Q CB 2.255 31.103 28.738 0.183 0.000 1.322 738 Q HN 0.861 nan 8.270 nan 0.000 0.419 739 Q N 5.136 125.002 119.800 0.109 0.000 2.269 739 Q HA 0.078 4.394 4.340 -0.041 0.000 0.300 739 Q C -2.062 174.021 176.000 0.139 0.000 1.070 739 Q CA -0.794 55.071 55.803 0.102 0.000 0.957 739 Q CB 0.589 29.362 28.738 0.059 0.000 1.131 739 Q HN 0.356 nan 8.270 nan 0.000 0.377 740 P HA 0.125 nan 4.420 nan 0.000 0.276 740 P C -1.269 176.112 177.300 0.134 0.000 1.244 740 P CA -0.180 63.039 63.100 0.197 0.000 0.801 740 P CB 0.947 32.750 31.700 0.172 0.000 1.006 741 N N -1.403 117.396 118.700 0.164 0.000 2.774 741 N HA 0.200 4.916 4.740 -0.041 0.000 0.264 741 N C 0.912 176.448 175.510 0.044 0.000 1.415 741 N CA -0.484 52.618 53.050 0.087 0.000 0.815 741 N CB 1.266 39.813 38.487 0.099 0.000 1.514 741 N HN 0.289 nan 8.380 nan 0.000 0.523 742 T N -2.426 112.130 114.554 0.003 0.000 3.118 742 T HA 0.037 4.362 4.350 -0.041 0.000 0.260 742 T C 0.698 175.433 174.700 0.057 0.000 1.139 742 T CA 0.847 62.919 62.100 -0.048 0.000 1.085 742 T CB -0.620 68.238 68.868 -0.017 0.000 0.934 742 T HN 0.569 nan 8.240 nan 0.000 0.518 743 T N -1.882 112.768 114.554 0.160 0.000 2.896 743 T HA 0.494 4.820 4.350 -0.041 0.000 0.297 743 T C 1.078 175.959 174.700 0.302 0.000 1.108 743 T CA -0.078 62.166 62.100 0.240 0.000 1.004 743 T CB 1.782 70.694 68.868 0.074 0.000 1.159 743 T HN 0.085 nan 8.240 nan 0.000 0.499 744 T N 0.112 114.839 114.554 0.288 0.000 2.951 744 T HA -0.049 4.276 4.350 -0.041 0.000 0.268 744 T C 1.922 176.703 174.700 0.133 0.000 1.073 744 T CA 0.820 63.067 62.100 0.244 0.000 1.134 744 T CB -0.497 68.541 68.868 0.283 0.000 0.884 744 T HN 0.426 nan 8.240 nan 0.000 0.479 745 L N 1.960 123.229 121.223 0.077 0.000 2.021 745 L HA 0.014 4.330 4.340 -0.041 0.000 0.215 745 L C 2.815 179.699 176.870 0.023 0.000 1.074 745 L CA 2.161 57.007 54.840 0.011 0.000 0.760 745 L CB -1.159 40.879 42.059 -0.034 0.000 0.889 745 L HN 0.378 nan 8.230 nan 0.000 0.433 746 A N -1.413 121.436 122.820 0.049 0.000 1.898 746 A HA -0.120 4.175 4.320 -0.041 0.000 0.214 746 A C 2.422 180.057 177.584 0.085 0.000 1.183 746 A CA 1.532 53.600 52.037 0.052 0.000 0.622 746 A CB -1.004 18.023 19.000 0.045 0.000 0.824 746 A HN 0.636 nan 8.150 nan 0.000 0.444 747 S N 0.120 115.907 115.700 0.144 0.000 2.399 747 S HA -0.165 4.280 4.470 -0.041 0.000 0.231 747 S C 1.853 176.549 174.600 0.160 0.000 1.022 747 S CA 1.146 59.454 58.200 0.181 0.000 0.983 747 S CB -0.496 62.882 63.200 0.296 0.000 0.803 747 S HN 0.577 nan 8.310 nan 0.000 0.480 748 R N 1.337 121.914 120.500 0.128 0.000 2.241 748 R HA 0.101 4.416 4.340 -0.041 0.000 0.224 748 R C 1.698 178.077 176.300 0.131 0.000 1.101 748 R CA 1.088 57.271 56.100 0.139 0.000 0.995 748 R CB -0.160 30.113 30.300 -0.047 0.000 0.870 748 R HN 0.517 nan 8.270 nan 0.000 0.463 749 K N -0.229 120.213 120.400 0.069 0.000 2.404 749 K HA 0.081 4.377 4.320 -0.041 0.000 0.194 749 K C 0.073 176.675 176.600 0.002 0.000 1.023 749 K CA -0.079 56.227 56.287 0.031 0.000 1.094 749 K CB 0.266 32.778 32.500 0.020 0.000 0.841 749 K HN 0.060 nan 8.250 nan 0.000 0.523 750 N N 1.590 120.298 118.700 0.015 0.000 2.463 750 N HA 0.196 4.912 4.740 -0.041 0.000 0.270 750 N C -2.680 172.797 175.510 -0.054 0.000 1.205 750 N CA -2.070 50.979 53.050 -0.002 0.000 0.974 750 N CB 0.391 38.900 38.487 0.038 0.000 1.197 750 N HN -0.210 nan 8.380 nan 0.000 0.504 751 P HA 0.060 nan 4.420 nan 0.000 0.266 751 P C -0.360 176.884 177.300 -0.093 0.000 1.195 751 P CA 0.352 63.398 63.100 -0.089 0.000 0.768 751 P CB 0.541 32.212 31.700 -0.049 0.000 0.838 752 L N 1.665 122.780 121.223 -0.179 0.000 2.400 752 L HA 0.849 5.164 4.340 -0.041 0.000 0.264 752 L C 1.088 177.997 176.870 0.065 0.000 1.061 752 L CA -0.447 54.311 54.840 -0.136 0.000 0.799 752 L CB 1.036 42.797 42.059 -0.497 0.000 1.240 752 L HN 0.408 nan 8.230 nan 0.000 0.461 753 G N 0.086 109.013 108.800 0.212 0.000 2.694 753 G HA2 0.725 4.661 3.960 -0.041 0.000 0.290 753 G HA3 0.725 4.661 3.960 -0.041 0.000 0.290 753 G C -1.701 173.314 174.900 0.191 0.000 1.386 753 G CA -0.623 44.597 45.100 0.199 0.000 0.872 753 G HN 0.347 nan 8.290 nan 0.000 0.475 754 L N 0.349 121.567 121.223 -0.009 0.000 2.365 754 L HA 0.563 4.879 4.340 -0.041 0.000 0.273 754 L C -0.629 176.195 176.870 -0.077 0.000 1.000 754 L CA -0.801 53.945 54.840 -0.158 0.000 0.819 754 L CB 2.343 44.121 42.059 -0.468 0.000 1.284 754 L HN 0.316 nan 8.230 nan 0.000 0.418 755 I N 4.139 124.716 120.570 0.012 0.000 2.330 755 I HA 0.370 4.515 4.170 -0.041 0.000 0.289 755 I C -0.411 175.764 176.117 0.096 0.000 1.001 755 I CA -0.324 60.998 61.300 0.037 0.000 1.193 755 I CB 1.629 39.665 38.000 0.061 0.000 1.345 755 I HN 0.413 nan 8.210 nan 0.000 0.461 756 I N 6.166 126.730 120.570 -0.009 0.000 2.306 756 I HA 0.369 4.514 4.170 -0.041 0.000 0.288 756 I C 0.426 176.533 176.117 -0.016 0.000 1.036 756 I CA -0.271 61.034 61.300 0.007 0.000 1.221 756 I CB 1.314 39.296 38.000 -0.029 0.000 1.385 756 I HN 0.615 nan 8.210 nan 0.000 0.472 757 A N 8.308 131.186 122.820 0.096 0.000 2.294 757 A HA 0.578 4.874 4.320 -0.041 0.000 0.316 757 A C -0.156 177.522 177.584 0.158 0.000 1.359 757 A CA -0.471 51.579 52.037 0.021 0.000 0.956 757 A CB 0.104 19.329 19.000 0.376 0.000 1.155 757 A HN 0.691 nan 8.150 nan 0.000 0.544 758 L N 2.769 124.052 121.223 0.100 0.000 2.416 758 L HA 0.194 4.509 4.340 -0.041 0.000 0.272 758 L C 0.632 177.654 176.870 0.252 0.000 1.161 758 L CA -0.611 54.335 54.840 0.177 0.000 0.845 758 L CB 0.570 42.722 42.059 0.154 0.000 1.119 758 L HN 0.880 nan 8.230 nan 0.000 0.464 759 D N 1.100 121.584 120.400 0.140 0.000 2.440 759 D HA 0.032 4.648 4.640 -0.041 0.000 0.269 759 D C 0.662 177.007 176.300 0.075 0.000 1.249 759 D CA -0.446 53.608 54.000 0.089 0.000 1.055 759 D CB 0.486 41.307 40.800 0.034 0.000 1.104 759 D HN 0.454 nan 8.370 nan 0.000 0.561 760 E N -1.052 119.170 120.200 0.038 0.000 2.265 760 E HA -0.087 4.238 4.350 -0.041 0.000 0.196 760 E C 0.820 177.440 176.600 0.033 0.000 0.996 760 E CA 0.868 57.286 56.400 0.030 0.000 0.832 760 E CB -0.290 29.418 29.700 0.014 0.000 0.756 760 E HN 0.326 nan 8.360 nan 0.000 0.491 761 N N 0.844 119.564 118.700 0.033 0.000 2.322 761 N HA 0.005 4.721 4.740 -0.041 0.000 0.194 761 N C -0.463 175.073 175.510 0.043 0.000 1.126 761 N CA 0.194 53.262 53.050 0.030 0.000 0.845 761 N CB 0.573 39.072 38.487 0.020 0.000 0.976 761 N HN -0.077 nan 8.380 nan 0.000 0.475 762 K N 0.482 120.921 120.400 0.066 0.000 3.117 762 K HA -0.171 4.124 4.320 -0.041 0.000 0.269 762 K C -0.524 176.134 176.600 0.096 0.000 1.098 762 K CA 0.752 57.098 56.287 0.099 0.000 0.785 762 K CB -2.087 30.476 32.500 0.104 0.000 1.242 762 K HN 0.538 nan 8.250 nan 0.000 0.491 763 E N -0.786 119.454 120.200 0.066 0.000 2.359 763 E HA 0.840 5.165 4.350 -0.041 0.000 0.266 763 E C -0.658 175.955 176.600 0.021 0.000 0.920 763 E CA -0.817 55.608 56.400 0.041 0.000 0.788 763 E CB 2.247 31.954 29.700 0.011 0.000 1.279 763 E HN 0.261 nan 8.360 nan 0.000 0.438 764 A N 1.433 124.252 122.820 -0.001 0.000 2.597 764 A HA 0.606 4.901 4.320 -0.041 0.000 0.292 764 A C -1.621 175.931 177.584 -0.055 0.000 1.057 764 A CA -0.824 51.181 52.037 -0.053 0.000 0.674 764 A CB 1.624 20.629 19.000 0.009 0.000 1.278 764 A HN 0.407 nan 8.150 nan 0.000 0.416 765 K N -0.144 120.179 120.400 -0.128 0.000 2.508 765 K HA 0.746 5.042 4.320 -0.041 0.000 0.260 765 K C -0.314 176.299 176.600 0.022 0.000 0.949 765 K CA -0.400 55.865 56.287 -0.036 0.000 0.834 765 K CB 2.880 35.335 32.500 -0.076 0.000 1.365 765 K HN 1.445 nan 8.250 nan 0.000 0.437 766 G N 0.539 109.449 108.800 0.184 0.000 2.606 766 G HA2 0.531 4.467 3.960 -0.041 0.000 0.300 766 G HA3 0.531 4.467 3.960 -0.041 0.000 0.300 766 G C -1.755 173.348 174.900 0.340 0.000 1.360 766 G CA -0.631 44.648 45.100 0.297 0.000 0.783 766 G HN 0.652 nan 8.290 nan 0.000 0.484 767 E N -1.853 118.589 120.200 0.404 0.000 2.445 767 E HA 0.703 5.029 4.350 -0.041 0.000 0.279 767 E C -2.179 174.692 176.600 0.453 0.000 1.018 767 E CA -1.049 55.470 56.400 0.197 0.000 0.816 767 E CB 2.475 32.280 29.700 0.175 0.000 1.356 767 E HN 0.851 nan 8.360 nan 0.000 0.462 768 L N 1.394 122.812 121.223 0.324 0.000 2.516 768 L HA 0.539 4.854 4.340 -0.041 0.000 0.267 768 L C -1.971 175.149 176.870 0.417 0.000 0.957 768 L CA -0.596 54.554 54.840 0.518 0.000 0.860 768 L CB 1.725 44.212 42.059 0.712 0.000 1.265 768 L HN 0.663 nan 8.230 nan 0.000 0.403 769 F N 5.675 125.781 119.950 0.260 0.000 2.404 769 F HA 0.659 5.161 4.527 -0.041 0.000 0.339 769 F C -1.321 174.702 175.800 0.372 0.000 1.105 769 F CA -0.170 57.856 58.000 0.044 0.000 1.087 769 F CB 0.942 39.694 39.000 -0.414 0.000 1.143 769 F HN 0.618 nan 8.300 nan 0.000 0.491 770 W N 8.759 129.643 121.300 -0.692 0.000 3.132 770 W HA 0.263 4.899 4.660 -0.040 0.000 0.337 770 W C -1.799 174.392 176.519 -0.547 0.000 1.082 770 W CA -0.655 56.468 57.345 -0.370 0.000 1.242 770 W CB 1.875 31.322 29.460 -0.021 0.000 1.354 770 W HN 0.753 nan 8.180 nan 0.000 0.461 771 D N 1.403 121.284 120.400 -0.865 0.000 2.904 771 D HA 0.162 4.778 4.640 -0.041 0.000 0.290 771 D C 0.581 176.237 176.300 -1.073 0.000 1.180 771 D CA -0.211 53.248 54.000 -0.903 0.000 1.065 771 D CB 0.094 40.533 40.800 -0.601 0.000 1.386 771 D HN 0.247 nan 8.370 nan 0.000 0.599 772 D N -1.677 118.107 120.400 -1.027 0.000 2.349 772 D HA 0.157 4.773 4.640 -0.041 0.000 0.224 772 D C 1.557 177.594 176.300 -0.439 0.000 1.029 772 D CA 0.934 54.551 54.000 -0.639 0.000 0.879 772 D CB -0.297 40.258 40.800 -0.409 0.000 0.906 772 D HN 0.886 nan 8.370 nan 0.000 0.528 773 G N 0.815 109.367 108.800 -0.413 0.000 2.179 773 G HA2 -0.351 3.585 3.960 -0.041 0.000 0.260 773 G HA3 -0.351 3.585 3.960 -0.041 0.000 0.260 773 G C 0.677 175.481 174.900 -0.161 0.000 0.977 773 G CA 0.706 45.593 45.100 -0.355 0.000 0.641 773 G HN 0.611 nan 8.290 nan 0.000 0.533 774 E N -2.308 117.816 120.200 -0.127 0.000 2.626 774 E HA 0.139 4.465 4.350 -0.041 0.000 0.194 774 E C 0.355 176.922 176.600 -0.056 0.000 0.950 774 E CA 0.346 56.704 56.400 -0.070 0.000 1.583 774 E CB -0.023 29.669 29.700 -0.014 0.000 1.881 774 E HN 0.231 nan 8.360 nan 0.000 0.979 775 T N 2.237 116.751 114.554 -0.067 0.000 2.901 775 T HA 0.116 4.442 4.350 -0.041 0.000 0.301 775 T C -0.216 174.465 174.700 -0.031 0.000 1.012 775 T CA -0.056 62.020 62.100 -0.039 0.000 1.135 775 T CB 1.292 70.135 68.868 -0.041 0.000 0.936 775 T HN 0.077 nan 8.240 nan 0.000 0.539 776 K N 1.991 122.383 120.400 -0.013 0.000 2.326 776 K HA 0.064 4.359 4.320 -0.041 0.000 0.275 776 K C -0.026 176.580 176.600 0.009 0.000 1.018 776 K CA -0.192 56.088 56.287 -0.012 0.000 0.962 776 K CB 0.310 32.813 32.500 0.005 0.000 0.953 776 K HN 0.603 nan 8.250 nan 0.000 0.475 777 D N 1.258 121.666 120.400 0.013 0.000 3.090 777 D HA -0.160 4.455 4.640 -0.041 0.000 0.215 777 D C 0.876 177.231 176.300 0.092 0.000 1.140 777 D CA 1.578 55.613 54.000 0.060 0.000 0.937 777 D CB -1.430 39.407 40.800 0.062 0.000 1.108 777 D HN 0.854 nan 8.370 nan 0.000 0.420 778 T N -3.358 111.243 114.554 0.079 0.000 2.881 778 T HA -0.073 4.252 4.350 -0.041 0.000 0.270 778 T C 1.927 176.790 174.700 0.272 0.000 1.068 778 T CA 1.446 63.626 62.100 0.133 0.000 1.131 778 T CB -0.139 68.773 68.868 0.072 0.000 0.871 778 T HN 0.179 nan 8.240 nan 0.000 0.479 779 V N 1.806 121.858 119.914 0.230 0.000 2.379 779 V HA 0.121 4.216 4.120 -0.041 0.000 0.243 779 V C 3.244 179.536 176.094 0.330 0.000 1.035 779 V CA 1.258 63.735 62.300 0.295 0.000 1.035 779 V CB -1.338 30.617 31.823 0.219 0.000 0.673 779 V HN 0.621 nan 8.190 nan 0.000 0.457 780 A N 0.663 123.619 122.820 0.227 0.000 1.940 780 A HA -0.256 4.039 4.320 -0.041 0.000 0.219 780 A C 1.856 179.537 177.584 0.162 0.000 1.176 780 A CA 2.332 54.471 52.037 0.170 0.000 0.631 780 A CB -0.847 18.227 19.000 0.123 0.000 0.814 780 A HN 0.711 nan 8.150 nan 0.000 0.446 781 N N -0.224 118.573 118.700 0.162 0.000 2.398 781 N HA 0.047 4.762 4.740 -0.041 0.000 0.188 781 N C -0.588 175.013 175.510 0.151 0.000 1.122 781 N CA 0.001 53.130 53.050 0.132 0.000 0.866 781 N CB 0.118 38.667 38.487 0.103 0.000 0.970 781 N HN 0.165 nan 8.380 nan 0.000 0.462 782 K N 0.311 120.857 120.400 0.244 0.000 3.257 782 K HA -0.144 4.151 4.320 -0.041 0.000 0.270 782 K C -1.072 175.568 176.600 0.067 0.000 0.984 782 K CA 0.349 56.745 56.287 0.183 0.000 0.739 782 K CB -1.976 30.554 32.500 0.049 0.000 1.351 782 K HN 0.061 nan 8.250 nan 0.000 0.463 783 V N 2.186 122.221 119.914 0.202 0.000 2.220 783 V HA 0.387 4.483 4.120 -0.041 0.000 0.265 783 V C -0.287 175.941 176.094 0.224 0.000 1.078 783 V CA -0.544 61.846 62.300 0.150 0.000 0.872 783 V CB -0.703 31.197 31.823 0.129 0.000 1.121 783 V HN 0.402 nan 8.190 nan 0.000 0.460 784 Y N 2.107 122.446 120.300 0.066 0.000 2.713 784 Y HA 0.799 5.324 4.550 -0.041 0.000 0.335 784 Y C -1.607 174.305 175.900 0.021 0.000 1.222 784 Y CA -1.829 56.241 58.100 -0.049 0.000 1.061 784 Y CB 1.663 40.007 38.460 -0.195 0.000 1.314 784 Y HN 0.218 nan 8.280 nan 0.000 0.453 785 L N 2.776 124.103 121.223 0.172 0.000 2.296 785 L HA 0.764 5.080 4.340 -0.041 0.000 0.286 785 L C -1.775 175.211 176.870 0.194 0.000 1.023 785 L CA -0.813 54.115 54.840 0.147 0.000 0.812 785 L CB 1.443 43.628 42.059 0.209 0.000 1.223 785 L HN 0.742 nan 8.230 nan 0.000 0.421 786 L N 6.607 127.943 121.223 0.189 0.000 2.376 786 L HA 0.690 5.006 4.340 -0.041 0.000 0.275 786 L C -0.655 176.276 176.870 0.102 0.000 0.987 786 L CA -0.175 54.792 54.840 0.211 0.000 0.828 786 L CB 1.138 43.389 42.059 0.320 0.000 1.249 786 L HN 0.942 nan 8.230 nan 0.000 0.409 787 C N 1.709 121.030 119.300 0.035 0.000 2.719 787 C HA 0.893 5.328 4.460 -0.041 0.000 0.327 787 C C -0.575 174.187 174.990 -0.381 0.000 1.238 787 C CA -0.801 58.134 59.018 -0.138 0.000 1.727 787 C CB 1.886 29.544 27.740 -0.135 0.000 2.256 787 C HN 0.773 nan 8.230 nan 0.000 0.489 788 E N 0.396 120.327 120.200 -0.448 0.000 2.248 788 E HA 0.602 4.927 4.350 -0.041 0.000 0.267 788 E C -1.607 174.673 176.600 -0.533 0.000 0.877 788 E CA -0.134 56.014 56.400 -0.419 0.000 0.759 788 E CB 1.973 31.599 29.700 -0.123 0.000 1.182 788 E HN 0.647 nan 8.360 nan 0.000 0.418 789 F N 0.792 120.774 119.950 0.052 0.000 2.495 789 F HA 0.465 4.967 4.527 -0.041 0.000 0.327 789 F C 0.521 176.328 175.800 0.012 0.000 1.103 789 F CA -0.766 57.242 58.000 0.014 0.000 0.949 789 F CB 1.813 40.802 39.000 -0.019 0.000 1.142 789 F HN 0.250 nan 8.300 nan 0.000 0.457 790 S N 0.795 116.605 115.700 0.184 0.000 2.541 790 S HA 0.874 5.319 4.470 -0.041 0.000 0.271 790 S C -1.620 173.037 174.600 0.094 0.000 1.133 790 S CA -0.820 57.443 58.200 0.105 0.000 0.876 790 S CB 1.711 64.943 63.200 0.053 0.000 1.105 790 S HN 0.387 nan 8.310 nan 0.000 0.470 791 V N 2.201 122.160 119.914 0.075 0.000 2.531 791 V HA 0.831 4.926 4.120 -0.041 0.000 0.301 791 V C -0.555 175.559 176.094 0.034 0.000 1.034 791 V CA -0.296 62.051 62.300 0.080 0.000 0.865 791 V CB 1.635 33.553 31.823 0.159 0.000 0.995 791 V HN 1.212 nan 8.190 nan 0.000 0.424 792 T N 1.799 116.344 114.554 -0.014 0.000 3.071 792 T HA 0.452 4.777 4.350 -0.041 0.000 0.311 792 T C -0.909 173.744 174.700 -0.080 0.000 1.042 792 T CA -0.947 61.138 62.100 -0.024 0.000 1.028 792 T CB 1.660 70.513 68.868 -0.024 0.000 1.068 792 T HN 0.611 nan 8.240 nan 0.000 0.451 793 Q N 2.358 122.125 119.800 -0.055 0.000 3.456 793 Q HA -0.270 4.045 4.340 -0.041 0.000 0.333 793 Q C 0.340 176.164 176.000 -0.293 0.000 1.468 793 Q CA 1.465 57.216 55.803 -0.087 0.000 0.845 793 Q CB -1.529 27.192 28.738 -0.028 0.000 1.207 793 Q HN 1.128 nan 8.270 nan 0.000 0.540 794 N N -0.526 117.840 118.700 -0.556 0.000 2.909 794 N HA -0.252 4.463 4.740 -0.041 0.000 0.242 794 N C -0.229 174.402 175.510 -1.465 0.000 0.975 794 N CA 1.546 53.856 53.050 -1.233 0.000 0.921 794 N CB -0.457 37.660 38.487 -0.616 0.000 1.112 794 N HN 0.764 nan 8.380 nan 0.000 0.581 795 R N 0.464 120.339 120.500 -1.041 0.000 2.508 795 R HA 0.475 4.790 4.340 -0.041 0.000 0.283 795 R C -1.938 174.231 176.300 -0.218 0.000 1.120 795 R CA -0.753 55.008 56.100 -0.565 0.000 0.958 795 R CB 0.877 30.999 30.300 -0.296 0.000 1.215 795 R HN 0.101 nan 8.270 nan 0.000 0.427 796 L N 3.195 124.427 121.223 0.014 0.000 2.295 796 L HA 0.497 4.812 4.340 -0.041 0.000 0.285 796 L C -0.957 175.981 176.870 0.114 0.000 1.035 796 L CA 0.265 55.196 54.840 0.150 0.000 0.806 796 L CB 1.543 43.752 42.059 0.250 0.000 1.214 796 L HN 0.632 nan 8.230 nan 0.000 0.426 797 E N 4.064 124.331 120.200 0.112 0.000 2.171 797 E HA 0.516 4.842 4.350 -0.041 0.000 0.271 797 E C -1.294 175.404 176.600 0.163 0.000 0.916 797 E CA -0.892 55.576 56.400 0.115 0.000 0.774 797 E CB 2.351 32.091 29.700 0.066 0.000 1.128 797 E HN 0.444 nan 8.360 nan 0.000 0.403 798 V N 3.635 123.662 119.914 0.189 0.000 2.347 798 V HA 0.280 4.375 4.120 -0.041 0.000 0.280 798 V C -0.173 175.983 176.094 0.103 0.000 1.021 798 V CA -0.741 61.681 62.300 0.203 0.000 0.847 798 V CB 0.935 32.958 31.823 0.333 0.000 0.990 798 V HN 0.645 nan 8.190 nan 0.000 0.444 799 N N 4.314 123.019 118.700 0.009 0.000 2.342 799 N HA 0.519 5.235 4.740 -0.041 0.000 0.293 799 N C -1.365 174.130 175.510 -0.024 0.000 1.026 799 N CA -0.647 52.401 53.050 -0.002 0.000 0.857 799 N CB 2.156 40.636 38.487 -0.013 0.000 1.256 799 N HN 0.395 nan 8.380 nan 0.000 0.484 800 I N 2.409 122.980 120.570 0.002 0.000 2.312 800 I HA 0.091 4.236 4.170 -0.041 0.000 0.290 800 I C 1.634 177.757 176.117 0.011 0.000 1.008 800 I CA -0.147 61.159 61.300 0.010 0.000 1.226 800 I CB 0.873 38.887 38.000 0.023 0.000 1.371 800 I HN 0.567 nan 8.210 nan 0.000 0.468 801 S N 4.645 120.358 115.700 0.021 0.000 2.483 801 S HA 0.116 4.562 4.470 -0.041 0.000 0.221 801 S C 0.585 175.198 174.600 0.022 0.000 1.030 801 S CA 0.008 58.228 58.200 0.033 0.000 0.925 801 S CB 0.377 63.613 63.200 0.059 0.000 0.795 801 S HN 0.640 nan 8.310 nan 0.000 0.511 802 Q N 0.453 120.259 119.800 0.008 0.000 2.331 802 Q HA 0.653 4.968 4.340 -0.041 0.000 0.272 802 Q C -1.124 174.833 176.000 -0.072 0.000 1.062 802 Q CA -0.272 55.482 55.803 -0.082 0.000 0.806 802 Q CB 2.199 30.801 28.738 -0.228 0.000 1.312 802 Q HN 0.082 nan 8.270 nan 0.000 0.431 803 S N 2.066 117.716 115.700 -0.082 0.000 2.694 803 S HA 0.213 4.659 4.470 -0.041 0.000 0.232 803 S C -0.336 174.246 174.600 -0.031 0.000 1.017 803 S CA 0.287 58.468 58.200 -0.031 0.000 1.139 803 S CB -0.094 63.098 63.200 -0.013 0.000 1.247 803 S HN 0.727 nan 8.310 nan 0.000 0.452 804 T N -0.890 113.635 114.554 -0.048 0.000 3.134 804 T HA 0.329 4.654 4.350 -0.041 0.000 0.260 804 T C -0.367 174.396 174.700 0.105 0.000 1.027 804 T CA -0.288 61.809 62.100 -0.005 0.000 0.913 804 T CB -0.219 68.621 68.868 -0.046 0.000 1.046 804 T HN 0.453 nan 8.240 nan 0.000 0.553 805 Y N 1.205 121.494 120.300 -0.018 0.000 2.396 805 Y HA 0.600 5.126 4.550 -0.041 0.000 0.332 805 Y C -1.154 174.771 175.900 0.042 0.000 1.034 805 Y CA -1.705 56.405 58.100 0.017 0.000 1.057 805 Y CB 1.719 40.195 38.460 0.028 0.000 1.220 805 Y HN 0.005 nan 8.280 nan 0.000 0.440 806 K N 5.511 125.529 120.400 -0.635 0.000 2.394 806 K HA 0.223 4.519 4.320 -0.041 0.000 0.260 806 K C -1.082 175.065 176.600 -0.755 0.000 0.967 806 K CA -0.658 55.339 56.287 -0.483 0.000 0.855 806 K CB 0.797 33.157 32.500 -0.233 0.000 1.101 806 K HN 0.741 nan 8.250 nan 0.000 0.433 807 D N 5.523 125.632 120.400 -0.485 0.000 2.450 807 D HA 0.005 4.620 4.640 -0.041 0.000 0.247 807 D C -1.328 174.897 176.300 -0.126 0.000 1.162 807 D CA -1.216 52.674 54.000 -0.183 0.000 0.879 807 D CB 1.374 42.307 40.800 0.223 0.000 1.163 807 D HN 0.439 nan 8.370 nan 0.000 0.472 808 P HA -0.012 nan 4.420 nan 0.000 0.245 808 P C 0.012 177.293 177.300 -0.032 0.000 1.212 808 P CA 0.368 63.434 63.100 -0.058 0.000 0.774 808 P CB 0.141 31.821 31.700 -0.033 0.000 0.999 809 N N 0.888 119.581 118.700 -0.013 0.000 2.421 809 N HA -0.017 4.698 4.740 -0.041 0.000 0.201 809 N C 0.137 175.619 175.510 -0.046 0.000 1.198 809 N CA -0.128 52.911 53.050 -0.018 0.000 0.838 809 N CB -0.777 37.714 38.487 0.007 0.000 1.011 809 N HN -0.058 nan 8.380 nan 0.000 0.463 810 N N 0.728 119.391 118.700 -0.060 0.000 2.738 810 N HA -0.181 4.535 4.740 -0.041 0.000 0.249 810 N C -1.145 174.300 175.510 -0.107 0.000 1.047 810 N CA 0.377 53.384 53.050 -0.071 0.000 0.707 810 N CB -1.198 37.258 38.487 -0.052 0.000 0.937 810 N HN 0.288 nan 8.380 nan 0.000 0.545 811 L N -0.187 120.943 121.223 -0.155 0.000 2.397 811 L HA 0.645 4.961 4.340 -0.041 0.000 0.271 811 L C 0.926 177.622 176.870 -0.291 0.000 1.148 811 L CA 0.154 54.843 54.840 -0.251 0.000 0.825 811 L CB 1.108 42.940 42.059 -0.378 0.000 1.117 811 L HN 0.405 nan 8.230 nan 0.000 0.456 812 A N 2.469 125.091 122.820 -0.331 0.000 2.606 812 A HA 0.676 4.972 4.320 -0.041 0.000 0.293 812 A C -1.260 176.088 177.584 -0.394 0.000 1.082 812 A CA -0.619 51.220 52.037 -0.330 0.000 0.685 812 A CB 0.875 19.780 19.000 -0.158 0.000 1.284 812 A HN 0.412 nan 8.150 nan 0.000 0.408 813 F N 2.409 122.287 119.950 -0.120 0.000 2.471 813 F HA 0.227 4.730 4.527 -0.041 0.000 0.365 813 F C 1.544 177.267 175.800 -0.128 0.000 1.095 813 F CA 0.054 57.982 58.000 -0.120 0.000 1.174 813 F CB 0.727 39.652 39.000 -0.125 0.000 1.105 813 F HN 0.676 nan 8.300 nan 0.000 0.535 814 N N 1.437 120.158 118.700 0.036 0.000 2.184 814 N HA 0.050 4.765 4.740 -0.041 0.000 0.206 814 N C -0.422 175.084 175.510 -0.007 0.000 1.151 814 N CA -0.013 53.032 53.050 -0.008 0.000 0.878 814 N CB 0.453 38.920 38.487 -0.033 0.000 1.014 814 N HN 0.722 nan 8.380 nan 0.000 0.512 815 E N 0.287 120.497 120.200 0.016 0.000 2.321 815 E HA 0.443 4.769 4.350 -0.041 0.000 0.281 815 E C -1.622 174.959 176.600 -0.032 0.000 0.910 815 E CA -0.578 55.812 56.400 -0.018 0.000 0.770 815 E CB 1.775 31.465 29.700 -0.017 0.000 1.225 815 E HN 0.111 nan 8.360 nan 0.000 0.417 816 I N 3.932 124.454 120.570 -0.080 0.000 2.418 816 I HA 0.343 4.488 4.170 -0.041 0.000 0.287 816 I C -0.544 175.492 176.117 -0.135 0.000 1.008 816 I CA -0.732 60.495 61.300 -0.123 0.000 1.104 816 I CB 1.829 39.737 38.000 -0.154 0.000 1.264 816 I HN 0.286 nan 8.210 nan 0.000 0.438 817 K N 7.615 127.936 120.400 -0.131 0.000 2.265 817 K HA 0.652 4.947 4.320 -0.041 0.000 0.267 817 K C -1.259 175.243 176.600 -0.164 0.000 0.994 817 K CA -0.447 55.753 56.287 -0.145 0.000 0.860 817 K CB 1.193 33.609 32.500 -0.141 0.000 1.099 817 K HN 0.554 nan 8.250 nan 0.000 0.448 818 I N 6.222 126.681 120.570 -0.185 0.000 2.378 818 I HA 0.279 4.425 4.170 -0.041 0.000 0.291 818 I C -0.546 175.455 176.117 -0.194 0.000 0.992 818 I CA -0.884 60.303 61.300 -0.189 0.000 1.154 818 I CB 1.344 39.196 38.000 -0.246 0.000 1.315 818 I HN 0.426 nan 8.210 nan 0.000 0.448 819 L N 5.336 126.382 121.223 -0.294 0.000 2.322 819 L HA 0.608 4.923 4.340 -0.041 0.000 0.279 819 L C 0.988 177.653 176.870 -0.342 0.000 1.036 819 L CA -0.596 53.949 54.840 -0.491 0.000 0.807 819 L CB 1.510 42.908 42.059 -1.101 0.000 1.226 819 L HN 0.923 nan 8.230 nan 0.000 0.433 820 G N 1.023 109.794 108.800 -0.049 0.000 2.182 820 G HA2 -0.238 3.697 3.960 -0.041 0.000 0.248 820 G HA3 -0.238 3.697 3.960 -0.041 0.000 0.248 820 G C 0.055 175.044 174.900 0.149 0.000 1.042 820 G CA 0.404 45.640 45.100 0.226 0.000 0.775 820 G HN 0.681 nan 8.290 nan 0.000 0.501 821 T N -0.389 114.243 114.554 0.129 0.000 2.888 821 T HA 0.565 4.891 4.350 -0.041 0.000 0.284 821 T C 0.273 175.090 174.700 0.196 0.000 1.017 821 T CA -0.545 61.647 62.100 0.154 0.000 1.022 821 T CB 1.223 70.162 68.868 0.119 0.000 1.013 821 T HN 0.169 nan 8.240 nan 0.000 0.465 822 E N 1.987 122.245 120.200 0.096 0.000 2.392 822 E HA 0.115 4.441 4.350 -0.041 0.000 0.256 822 E C 0.122 176.627 176.600 -0.159 0.000 1.145 822 E CA -0.276 56.145 56.400 0.035 0.000 0.929 822 E CB 0.440 30.077 29.700 -0.104 0.000 0.998 822 E HN 0.711 nan 8.360 nan 0.000 0.442 823 E N 2.378 122.228 120.200 -0.584 0.000 2.606 823 E HA -0.013 4.313 4.350 -0.041 0.000 0.248 823 E C -2.093 174.278 176.600 -0.382 0.000 1.005 823 E CA -1.140 54.611 56.400 -1.081 0.000 0.946 823 E CB 0.283 29.519 29.700 -0.774 0.000 0.928 823 E HN 0.025 nan 8.360 nan 0.000 0.494 824 P HA 0.062 nan 4.420 nan 0.000 0.275 824 P C -1.232 175.954 177.300 -0.190 0.000 1.228 824 P CA -0.342 62.564 63.100 -0.323 0.000 0.786 824 P CB 1.416 32.757 31.700 -0.599 0.000 0.927 825 S N 0.424 116.075 115.700 -0.082 0.000 2.595 825 S HA 0.502 4.947 4.470 -0.041 0.000 0.281 825 S C -0.549 174.056 174.600 0.007 0.000 1.117 825 S CA -0.766 57.408 58.200 -0.042 0.000 0.873 825 S CB 0.657 63.838 63.200 -0.031 0.000 1.108 825 S HN 0.378 nan 8.310 nan 0.000 0.477 826 N N -0.300 118.404 118.700 0.006 0.000 2.714 826 N HA -0.111 4.605 4.740 -0.041 0.000 0.253 826 N C -0.526 175.015 175.510 0.052 0.000 1.024 826 N CA 0.707 53.769 53.050 0.021 0.000 0.726 826 N CB -1.868 36.629 38.487 0.015 0.000 0.908 826 N HN 0.678 nan 8.380 nan 0.000 0.542 827 V N 0.387 120.333 119.914 0.053 0.000 2.479 827 V HA 0.199 4.295 4.120 -0.041 0.000 0.281 827 V C 1.076 177.213 176.094 0.072 0.000 1.031 827 V CA 0.301 62.656 62.300 0.092 0.000 1.038 827 V CB 1.243 33.089 31.823 0.038 0.000 0.981 827 V HN 0.304 nan 8.190 nan 0.000 0.478 828 T N 4.533 119.143 114.554 0.094 0.000 2.863 828 T HA 0.626 4.952 4.350 -0.041 0.000 0.285 828 T C -0.546 174.207 174.700 0.090 0.000 1.009 828 T CA -0.439 61.704 62.100 0.072 0.000 0.989 828 T CB 1.941 70.842 68.868 0.054 0.000 1.004 828 T HN 0.341 nan 8.240 nan 0.000 0.455 829 V N 3.505 123.470 119.914 0.085 0.000 2.487 829 V HA 0.496 4.592 4.120 -0.041 0.000 0.298 829 V C -0.295 175.890 176.094 0.152 0.000 1.028 829 V CA -0.870 61.498 62.300 0.114 0.000 0.860 829 V CB 1.723 33.592 31.823 0.077 0.000 0.991 829 V HN 0.719 nan 8.190 nan 0.000 0.427 830 K N 2.911 123.426 120.400 0.192 0.000 2.259 830 K HA 0.536 4.831 4.320 -0.041 0.000 0.252 830 K C -0.898 175.880 176.600 0.298 0.000 0.936 830 K CA -0.737 55.665 56.287 0.190 0.000 0.810 830 K CB 2.286 34.854 32.500 0.113 0.000 1.143 830 K HN 0.843 nan 8.250 nan 0.000 0.427 831 H N 3.214 122.344 119.070 0.098 0.000 2.539 831 H HA 0.141 4.672 4.556 -0.041 0.000 0.332 831 H C -0.319 174.947 175.328 -0.103 0.000 1.031 831 H CA -0.456 55.551 56.048 -0.069 0.000 1.206 831 H CB 0.644 30.395 29.762 -0.018 0.000 1.446 831 H HN 0.661 nan 8.280 nan 0.000 0.496 832 N N 3.673 122.319 118.700 -0.091 0.000 2.696 832 N HA -0.218 4.497 4.740 -0.041 0.000 0.249 832 N C 1.017 176.478 175.510 -0.083 0.000 1.090 832 N CA 1.529 54.490 53.050 -0.147 0.000 0.716 832 N CB -1.139 37.170 38.487 -0.297 0.000 1.020 832 N HN 1.083 nan 8.380 nan 0.000 0.548 833 G N -2.847 105.940 108.800 -0.022 0.000 2.194 833 G HA2 -0.294 3.642 3.960 -0.041 0.000 0.236 833 G HA3 -0.294 3.642 3.960 -0.041 0.000 0.236 833 G C -0.082 174.819 174.900 0.002 0.000 0.987 833 G CA 0.200 45.296 45.100 -0.007 0.000 0.635 833 G HN 0.418 nan 8.290 nan 0.000 0.520 834 V N 3.262 123.177 119.914 0.002 0.000 2.370 834 V HA 0.559 4.654 4.120 -0.041 0.000 0.283 834 V C -1.867 174.264 176.094 0.062 0.000 1.023 834 V CA -1.616 60.691 62.300 0.012 0.000 0.857 834 V CB 1.876 33.684 31.823 -0.025 0.000 0.985 834 V HN 0.200 nan 8.190 nan 0.000 0.443 835 P HA 0.294 nan 4.420 nan 0.000 0.285 835 P C 0.040 177.378 177.300 0.063 0.000 1.259 835 P CA 0.458 63.602 63.100 0.073 0.000 0.794 835 P CB 1.465 33.197 31.700 0.053 0.000 0.940 839 S N 4.621 120.327 115.700 0.011 0.000 2.596 839 S HA 0.756 5.202 4.470 -0.041 0.000 0.318 839 S C -2.347 172.252 174.600 -0.002 0.000 1.097 839 S CA -1.084 57.121 58.200 0.009 0.000 1.080 839 S CB 0.673 63.877 63.200 0.007 0.000 0.991 839 S HN 0.800 nan 8.310 nan 0.000 0.471 840 P HA 0.230 nan 4.420 nan 0.000 0.273 840 P C -0.506 176.779 177.300 -0.024 0.000 1.250 840 P CA -0.311 62.776 63.100 -0.020 0.000 0.793 840 P CB 0.265 31.948 31.700 -0.030 0.000 1.011 841 T N 0.498 115.034 114.554 -0.029 0.000 2.832 841 T HA 0.304 4.630 4.350 -0.041 0.000 0.296 841 T C -0.029 174.646 174.700 -0.042 0.000 0.968 841 T CA -0.176 61.906 62.100 -0.030 0.000 1.107 841 T CB 0.268 69.121 68.868 -0.026 0.000 0.916 841 T HN 0.101 nan 8.240 nan 0.000 0.517 842 V N 4.262 124.152 119.914 -0.039 0.000 2.444 842 V HA 0.429 4.524 4.120 -0.041 0.000 0.294 842 V C 0.225 176.309 176.094 -0.017 0.000 1.022 842 V CA -0.824 61.447 62.300 -0.049 0.000 0.850 842 V CB 1.961 33.740 31.823 -0.072 0.000 0.992 842 V HN 0.943 nan 8.190 nan 0.000 0.426 843 T N 4.752 119.300 114.554 -0.011 0.000 2.824 843 T HA 0.597 4.922 4.350 -0.041 0.000 0.280 843 T C -1.221 173.526 174.700 0.078 0.000 0.995 843 T CA -0.310 61.798 62.100 0.015 0.000 1.009 843 T CB 1.201 70.057 68.868 -0.019 0.000 0.955 843 T HN 0.542 nan 8.240 nan 0.000 0.452 844 Y N 2.016 122.275 120.300 -0.067 0.000 2.442 844 Y HA 0.455 4.981 4.550 -0.041 0.000 0.344 844 Y C -1.150 174.719 175.900 -0.052 0.000 0.976 844 Y CA -1.489 56.572 58.100 -0.067 0.000 1.040 844 Y CB 1.645 40.069 38.460 -0.058 0.000 1.228 844 Y HN 0.513 nan 8.280 nan 0.000 0.451 845 D N 2.965 122.881 120.400 -0.807 0.000 2.460 845 D HA 0.159 4.775 4.640 -0.041 0.000 0.232 845 D C 0.494 176.227 176.300 -0.945 0.000 1.079 845 D CA 0.100 53.723 54.000 -0.627 0.000 0.864 845 D CB 1.389 41.965 40.800 -0.374 0.000 1.048 845 D HN 0.670 nan 8.370 nan 0.000 0.523 846 S N 2.878 118.210 115.700 -0.614 0.000 2.428 846 S HA -0.134 4.311 4.470 -0.041 0.000 0.230 846 S C 1.541 176.041 174.600 -0.166 0.000 1.014 846 S CA 0.307 58.313 58.200 -0.324 0.000 0.957 846 S CB -0.070 63.146 63.200 0.027 0.000 0.784 846 S HN 0.585 nan 8.310 nan 0.000 0.499 847 N N 0.904 119.507 118.700 -0.162 0.000 2.142 847 N HA -0.042 4.673 4.740 -0.041 0.000 0.186 847 N C 1.227 176.675 175.510 -0.103 0.000 1.023 847 N CA 1.149 54.138 53.050 -0.102 0.000 0.852 847 N CB -0.123 38.310 38.487 -0.090 0.000 0.998 847 N HN 0.305 nan 8.380 nan 0.000 0.424 848 L N 1.444 122.577 121.223 -0.149 0.000 2.509 848 L HA 0.159 4.474 4.340 -0.041 0.000 0.222 848 L C 0.351 177.170 176.870 -0.085 0.000 1.123 848 L CA 0.661 55.436 54.840 -0.108 0.000 0.856 848 L CB -0.278 41.708 42.059 -0.122 0.000 0.985 848 L HN 0.069 nan 8.230 nan 0.000 0.456 849 K N -0.282 120.032 120.400 -0.144 0.000 3.150 849 K HA -0.136 4.159 4.320 -0.041 0.000 0.267 849 K C -0.670 175.922 176.600 -0.012 0.000 1.028 849 K CA 0.264 56.535 56.287 -0.026 0.000 0.753 849 K CB -2.555 30.003 32.500 0.097 0.000 1.288 849 K HN 0.096 nan 8.250 nan 0.000 0.473 850 V N 0.031 119.839 119.914 -0.177 0.000 2.540 850 V HA 0.720 4.816 4.120 -0.041 0.000 0.302 850 V C 0.316 176.379 176.094 -0.052 0.000 1.035 850 V CA -0.680 61.551 62.300 -0.116 0.000 0.873 850 V CB 2.029 33.755 31.823 -0.160 0.000 0.992 850 V HN 0.426 nan 8.190 nan 0.000 0.428 851 A N 5.880 128.729 122.820 0.047 0.000 2.337 851 A HA 0.938 5.233 4.320 -0.041 0.000 0.329 851 A C -0.838 176.701 177.584 -0.075 0.000 1.146 851 A CA -0.557 51.524 52.037 0.073 0.000 0.800 851 A CB 0.896 19.887 19.000 -0.014 0.000 1.220 851 A HN 0.772 nan 8.150 nan 0.000 0.472 852 I N 2.642 123.170 120.570 -0.070 0.000 2.436 852 I HA 0.367 4.512 4.170 -0.041 0.000 0.289 852 I C -0.809 175.249 176.117 -0.098 0.000 1.010 852 I CA -0.263 60.978 61.300 -0.097 0.000 1.098 852 I CB 1.821 39.771 38.000 -0.083 0.000 1.266 852 I HN 0.493 nan 8.210 nan 0.000 0.434 853 I N 5.142 125.640 120.570 -0.119 0.000 2.336 853 I HA 0.453 4.599 4.170 -0.041 0.000 0.292 853 I C 0.232 176.301 176.117 -0.079 0.000 0.991 853 I CA -0.018 61.217 61.300 -0.109 0.000 1.227 853 I CB 1.860 39.776 38.000 -0.139 0.000 1.366 853 I HN 0.557 nan 8.210 nan 0.000 0.466 854 T N 2.497 117.014 114.554 -0.061 0.000 2.716 854 T HA 0.276 4.601 4.350 -0.041 0.000 0.286 854 T C -0.770 173.906 174.700 -0.041 0.000 1.052 854 T CA -0.171 61.900 62.100 -0.048 0.000 1.024 854 T CB 1.227 70.070 68.868 -0.042 0.000 1.349 854 T HN 0.731 nan 8.240 nan 0.000 0.525 855 D N 0.506 120.885 120.400 -0.035 0.000 2.699 855 D HA -0.141 4.474 4.640 -0.041 0.000 0.239 855 D C -0.685 175.593 176.300 -0.036 0.000 1.136 855 D CA 0.887 54.869 54.000 -0.031 0.000 0.668 855 D CB -1.275 39.510 40.800 -0.025 0.000 1.060 855 D HN 0.528 nan 8.370 nan 0.000 0.429 856 I N 0.085 120.628 120.570 -0.045 0.000 2.865 856 I HA 0.470 4.615 4.170 -0.041 0.000 0.302 856 I C -1.186 174.888 176.117 -0.072 0.000 1.140 856 I CA -0.887 60.375 61.300 -0.063 0.000 1.021 856 I CB 1.997 39.953 38.000 -0.073 0.000 1.233 856 I HN -0.043 nan 8.210 nan 0.000 0.427 857 D N 6.501 126.838 120.400 -0.105 0.000 2.472 857 D HA 0.310 4.925 4.640 -0.041 0.000 0.248 857 D C -1.495 174.687 176.300 -0.198 0.000 1.271 857 D CA -0.216 53.720 54.000 -0.107 0.000 0.888 857 D CB 0.667 41.427 40.800 -0.067 0.000 1.337 857 D HN 0.286 nan 8.370 nan 0.000 0.526 858 L N 3.620 124.693 121.223 -0.250 0.000 2.270 858 L HA 0.404 4.719 4.340 -0.041 0.000 0.286 858 L C 0.223 177.050 176.870 -0.072 0.000 1.059 858 L CA -0.795 53.715 54.840 -0.549 0.000 0.839 858 L CB 0.688 42.416 42.059 -0.551 0.000 1.221 858 L HN 0.231 nan 8.230 nan 0.000 0.431 859 L N 3.789 125.060 121.223 0.081 0.000 2.499 859 L HA 0.033 4.348 4.340 -0.041 0.000 0.273 859 L C 0.354 177.318 176.870 0.156 0.000 1.195 859 L CA -0.394 54.498 54.840 0.087 0.000 0.882 859 L CB 0.367 42.476 42.059 0.082 0.000 1.133 859 L HN 0.422 nan 8.230 nan 0.000 0.483 860 L N 4.133 125.328 121.223 -0.046 0.000 2.559 860 L HA 0.197 4.512 4.340 -0.041 0.000 0.274 860 L C 1.068 177.970 176.870 0.053 0.000 1.205 860 L CA 1.644 56.459 54.840 -0.041 0.000 0.907 860 L CB 0.298 42.166 42.059 -0.318 0.000 1.153 860 L HN 0.840 nan 8.230 nan 0.000 0.490 861 G N 2.396 111.279 108.800 0.138 0.000 2.176 861 G HA2 -0.171 3.764 3.960 -0.041 0.000 0.232 861 G HA3 -0.171 3.764 3.960 -0.041 0.000 0.232 861 G C 0.156 175.111 174.900 0.093 0.000 0.986 861 G CA 0.017 45.175 45.100 0.097 0.000 0.643 861 G HN 0.560 nan 8.290 nan 0.000 0.522 862 E N -0.031 120.250 120.200 0.135 0.000 2.244 862 E HA 0.727 5.052 4.350 -0.041 0.000 0.266 862 E C 0.225 176.797 176.600 -0.047 0.000 0.914 862 E CA 0.014 56.422 56.400 0.013 0.000 0.794 862 E CB 1.814 31.433 29.700 -0.136 0.000 1.210 862 E HN 0.749 nan 8.360 nan 0.000 0.414 863 A N 2.443 125.177 122.820 -0.144 0.000 2.331 863 A HA 0.607 4.903 4.320 -0.041 0.000 0.283 863 A C -1.205 176.207 177.584 -0.287 0.000 1.142 863 A CA -0.122 51.862 52.037 -0.087 0.000 0.812 863 A CB 0.172 19.152 19.000 -0.033 0.000 1.074 863 A HN 0.515 nan 8.150 nan 0.000 0.497 864 Y N -0.371 120.005 120.300 0.126 0.000 2.588 864 Y HA 0.556 5.082 4.550 -0.041 0.000 0.343 864 Y C 0.248 176.201 175.900 0.090 0.000 1.065 864 Y CA -0.466 57.702 58.100 0.114 0.000 1.038 864 Y CB 2.618 41.127 38.460 0.082 0.000 1.297 864 Y HN 0.580 nan 8.280 nan 0.000 0.467 865 T N 2.197 116.906 114.554 0.258 0.000 2.824 865 T HA 0.629 4.954 4.350 -0.041 0.000 0.282 865 T C -1.226 173.572 174.700 0.164 0.000 0.993 865 T CA -0.669 61.528 62.100 0.162 0.000 0.967 865 T CB 1.244 70.166 68.868 0.090 0.000 0.960 865 T HN 0.304 nan 8.240 nan 0.000 0.441 866 V N 3.497 123.504 119.914 0.154 0.000 2.448 866 V HA 0.507 4.603 4.120 -0.041 0.000 0.295 866 V C -0.158 176.049 176.094 0.188 0.000 1.025 866 V CA -0.769 61.642 62.300 0.186 0.000 0.859 866 V CB 1.678 33.626 31.823 0.208 0.000 0.988 866 V HN 0.853 nan 8.190 nan 0.000 0.431 867 E N 3.605 123.895 120.200 0.149 0.000 2.288 867 E HA 0.682 5.007 4.350 -0.041 0.000 0.268 867 E C -1.475 175.213 176.600 0.147 0.000 0.885 867 E CA -0.686 55.695 56.400 -0.031 0.000 0.767 867 E CB 2.740 32.391 29.700 -0.083 0.000 1.220 867 E HN 0.726 nan 8.360 nan 0.000 0.427 868 W N 0.880 122.119 121.300 -0.101 0.000 3.042 868 W HA 0.818 5.454 4.660 -0.041 0.000 0.342 868 W C -1.414 174.975 176.519 -0.217 0.000 1.240 868 W CA -0.920 56.328 57.345 -0.162 0.000 1.166 868 W CB 0.429 29.763 29.460 -0.210 0.000 1.469 868 W HN 0.539 nan 8.180 nan 0.000 0.579 869 A N 0.746 123.557 122.820 -0.015 0.000 2.312 869 A HA 0.836 5.132 4.320 -0.041 0.000 0.310 869 A C -0.970 176.501 177.584 -0.187 0.000 1.139 869 A CA -0.632 51.338 52.037 -0.111 0.000 0.886 869 A CB 1.007 19.986 19.000 -0.035 0.000 1.350 869 A HN 0.804 nan 8.150 nan 0.000 0.479 870 H N 0.000 119.118 119.070 0.079 0.000 2.539 870 H HA 0.000 4.531 4.556 -0.041 0.000 0.296 870 H CA 0.000 56.080 56.048 0.053 0.000 1.023 870 H CB 0.000 29.796 29.762 0.056 0.000 1.292 870 H HN 0.000 nan 8.280 nan 0.000 0.496