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 1ozf_1_A DATA FIRST_RESID 7 DATA SEQUENCE VRQWAHGADL VVSQLEAQGV RQVFGIPGAK IDKVFDSLLD SSIRIIPVRH DATA SEQUENCE EANAAFMAAA VGRITGKAGV ALVTSGPGCS NLITGMATAN SEGDPVVALG DATA SEQUENCE GAVKRADKAK QVHQSMDTVA MFSPVTKYAI EVTAPDALAE VVSNAFRAAE DATA SEQUENCE QGRPGSAFVS LPQDVVDGPV SGKVLPAXXX PQMGAAPDDA IDQVAKLIAQ DATA SEQUENCE AKNPIFLLGL MASQPENSKA LRRLLETSHI PVTSTYQAAG AVNQDNFSRF DATA SEQUENCE AGRVGLFNNQ AGDRLLQLAD LVICIGYSPV EYEPAMWNSG NATLVHIDVL DATA SEQUENCE PAYEERNYTP DVELVGDIAG TLNKLAQNID HRLVLSPQAA EILRDRQHQR DATA SEQUENCE ELLDRRGAQL NQFALHPLRI VRAMQDIVNS DVTLTVDMGS FHIWIARYLY DATA SEQUENCE TFRARQVMIS NGQQTMGVAL PWAIGAWLVN PERKVVSVSG DGGFLQSSME DATA SEQUENCE LETAVRLKAN VLHLIWVDNG YNMVAIQEEK KYQRLSGVEF GPMDFKAYAE DATA SEQUENCE SFGAKGFAVE SAEALEPTLR AAMDVDGPAV VAIPVDYRDN PLLMGQLH 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 0.000 176.095 176.094 0.001 0.000 1.182 7 V CA 0.000 62.339 62.300 0.066 0.000 1.235 7 V CB 0.000 31.872 31.823 0.081 0.000 1.184 8 R N 0.481 120.972 120.500 -0.015 0.000 2.912 8 R HA 0.713 5.053 4.340 0.000 0.000 0.262 8 R C -1.352 174.792 176.300 -0.260 0.000 1.057 8 R CA -1.041 54.895 56.100 -0.273 0.000 0.981 8 R CB 1.640 31.520 30.300 -0.700 0.000 1.201 8 R HN 0.778 nan 8.270 nan 0.000 0.484 9 Q N 1.059 120.670 119.800 -0.315 0.000 2.360 9 Q HA 0.185 4.525 4.340 0.000 0.000 0.254 9 Q C -1.250 174.601 176.000 -0.248 0.000 0.975 9 Q CA 0.056 55.764 55.803 -0.158 0.000 0.912 9 Q CB 0.860 29.531 28.738 -0.111 0.000 1.212 9 Q HN 0.362 nan 8.270 nan 0.000 0.452 10 W N 0.685 121.962 121.300 -0.039 0.000 2.417 10 W HA 0.475 5.135 4.660 0.000 0.000 0.317 10 W C 1.147 177.608 176.519 -0.097 0.000 1.121 10 W CA -0.601 56.716 57.345 -0.046 0.000 1.208 10 W CB 1.025 30.473 29.460 -0.021 0.000 1.253 10 W HN 0.713 nan 8.180 nan 0.000 0.533 11 A N 2.150 124.999 122.820 0.047 0.000 1.933 11 A HA -0.080 4.240 4.320 0.000 0.000 0.218 11 A C 0.418 177.721 177.584 -0.469 0.000 1.175 11 A CA 1.292 53.175 52.037 -0.256 0.000 0.628 11 A CB -0.488 18.303 19.000 -0.347 0.000 0.814 11 A HN 0.640 nan 8.150 nan 0.000 0.444 12 H N -3.316 115.849 119.070 0.160 0.000 2.851 12 H HA 0.367 4.923 4.556 0.000 0.000 0.372 12 H C 1.174 176.541 175.328 0.064 0.000 1.158 12 H CA -0.241 55.864 56.048 0.096 0.000 1.159 12 H CB 1.331 31.136 29.762 0.070 0.000 1.757 12 H HN 0.118 nan 8.280 nan 0.000 0.546 13 G N 0.956 109.832 108.800 0.126 0.000 2.448 13 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 13 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 13 G C 1.506 176.369 174.900 -0.062 0.000 1.127 13 G CA 0.862 45.953 45.100 -0.014 0.000 0.766 13 G HN 0.647 nan 8.290 nan 0.000 0.552 14 A N 1.155 123.985 122.820 0.017 0.000 1.972 14 A HA -0.053 4.267 4.320 0.000 0.000 0.219 14 A C 2.056 179.616 177.584 -0.040 0.000 1.169 14 A CA 1.951 53.976 52.037 -0.020 0.000 0.635 14 A CB -0.278 18.722 19.000 -0.001 0.000 0.810 14 A HN 0.286 nan 8.150 nan 0.000 0.446 15 D N -0.479 119.942 120.400 0.035 0.000 2.144 15 D HA -0.109 4.531 4.640 0.000 0.000 0.200 15 D C 1.800 177.944 176.300 -0.260 0.000 0.978 15 D CA 1.133 55.174 54.000 0.068 0.000 0.833 15 D CB -0.281 40.739 40.800 0.367 0.000 0.961 15 D HN 0.392 nan 8.370 nan 0.000 0.470 16 L N 0.635 121.479 121.223 -0.631 0.000 2.109 16 L HA -0.074 4.266 4.340 0.000 0.000 0.207 16 L C 2.160 178.698 176.870 -0.555 0.000 1.086 16 L CA 1.097 55.244 54.840 -1.154 0.000 0.760 16 L CB -0.346 40.974 42.059 -1.232 0.000 0.910 16 L HN -0.178 nan 8.230 nan 0.000 0.437 17 V N -1.131 118.584 119.914 -0.331 0.000 2.295 17 V HA -0.266 3.854 4.120 0.000 0.000 0.246 17 V C 2.505 178.497 176.094 -0.170 0.000 1.049 17 V CA 1.718 63.895 62.300 -0.205 0.000 1.024 17 V CB -0.465 31.275 31.823 -0.138 0.000 0.648 17 V HN 0.318 nan 8.190 nan 0.000 0.447 18 V N -0.184 119.642 119.914 -0.147 0.000 2.343 18 V HA -0.241 3.879 4.120 0.000 0.000 0.247 18 V C 2.536 178.569 176.094 -0.101 0.000 1.051 18 V CA 2.327 64.565 62.300 -0.103 0.000 1.036 18 V CB -0.665 31.122 31.823 -0.059 0.000 0.654 18 V HN 0.554 nan 8.190 nan 0.000 0.451 19 S N -0.756 114.867 115.700 -0.128 0.000 2.402 19 S HA -0.247 4.223 4.470 0.000 0.000 0.229 19 S C 1.983 176.511 174.600 -0.121 0.000 1.021 19 S CA 1.530 59.683 58.200 -0.078 0.000 0.974 19 S CB -0.273 62.903 63.200 -0.040 0.000 0.800 19 S HN 0.592 nan 8.310 nan 0.000 0.484 20 Q N 1.414 121.102 119.800 -0.186 0.000 2.119 20 Q HA 0.095 4.435 4.340 0.000 0.000 0.201 20 Q C 1.892 177.747 176.000 -0.241 0.000 0.972 20 Q CA 1.266 56.950 55.803 -0.198 0.000 0.847 20 Q CB -0.489 28.130 28.738 -0.199 0.000 0.903 20 Q HN 0.503 nan 8.270 nan 0.000 0.433 21 L N 0.095 121.199 121.223 -0.198 0.000 2.046 21 L HA -0.188 4.152 4.340 0.000 0.000 0.208 21 L C 2.255 179.017 176.870 -0.181 0.000 1.077 21 L CA 1.578 56.299 54.840 -0.199 0.000 0.747 21 L CB -0.479 41.528 42.059 -0.087 0.000 0.896 21 L HN 0.326 nan 8.230 nan 0.000 0.432 22 E N 0.252 120.376 120.200 -0.126 0.000 2.077 22 E HA -0.203 4.147 4.350 0.000 0.000 0.193 22 E C 2.314 178.848 176.600 -0.110 0.000 0.989 22 E CA 1.126 57.471 56.400 -0.091 0.000 0.800 22 E CB -0.175 29.494 29.700 -0.051 0.000 0.746 22 E HN 0.491 nan 8.360 nan 0.000 0.452 23 A N 1.311 124.053 122.820 -0.129 0.000 1.972 23 A HA -0.191 4.129 4.320 0.000 0.000 0.219 23 A C 1.986 179.459 177.584 -0.185 0.000 1.169 23 A CA 1.130 53.089 52.037 -0.130 0.000 0.635 23 A CB -0.189 18.737 19.000 -0.124 0.000 0.810 23 A HN 0.113 nan 8.150 nan 0.000 0.446 24 Q N -1.417 118.205 119.800 -0.298 0.000 2.444 24 Q HA 0.123 4.463 4.340 0.000 0.000 0.206 24 Q C 1.214 177.088 176.000 -0.210 0.000 0.948 24 Q CA 0.781 56.346 55.803 -0.395 0.000 0.946 24 Q CB -0.052 28.111 28.738 -0.959 0.000 1.027 24 Q HN 0.998 nan 8.270 nan 0.000 0.513 25 G N 0.638 109.355 108.800 -0.139 0.000 2.136 25 G HA2 -0.256 3.704 3.960 0.000 0.000 0.242 25 G HA3 -0.256 3.704 3.960 0.000 0.000 0.242 25 G C 0.211 175.088 174.900 -0.038 0.000 0.989 25 G CA 0.218 45.276 45.100 -0.070 0.000 0.682 25 G HN 0.234 nan 8.290 nan 0.000 0.522 26 V N 0.995 120.881 119.914 -0.047 0.000 2.529 26 V HA 0.150 4.270 4.120 0.000 0.000 0.292 26 V C 1.805 177.885 176.094 -0.023 0.000 1.028 26 V CA 0.681 62.984 62.300 0.005 0.000 1.074 26 V CB 1.068 32.907 31.823 0.027 0.000 0.958 26 V HN 0.477 nan 8.190 nan 0.000 0.481 27 R N 2.869 123.357 120.500 -0.019 0.000 2.206 27 R HA 0.143 4.483 4.340 0.000 0.000 0.198 27 R C 0.385 176.638 176.300 -0.079 0.000 0.986 27 R CA 0.307 56.382 56.100 -0.042 0.000 1.029 27 R CB 0.330 30.612 30.300 -0.030 0.000 0.966 27 R HN 0.868 nan 8.270 nan 0.000 0.487 28 Q N -0.108 119.619 119.800 -0.121 0.000 2.534 28 Q HA 0.375 4.715 4.340 0.000 0.000 0.290 28 Q C -1.407 174.394 176.000 -0.332 0.000 0.991 28 Q CA -0.797 54.861 55.803 -0.241 0.000 0.783 28 Q CB 1.913 30.451 28.738 -0.332 0.000 1.470 28 Q HN -0.136 nan 8.270 nan 0.000 0.406 29 V N 1.480 121.153 119.914 -0.402 0.000 2.656 29 V HA 0.586 4.706 4.120 0.000 0.000 0.307 29 V C -1.092 174.759 176.094 -0.405 0.000 1.051 29 V CA -0.576 61.523 62.300 -0.337 0.000 0.893 29 V CB 1.566 33.248 31.823 -0.235 0.000 0.999 29 V HN 0.677 nan 8.190 nan 0.000 0.426 30 F N 2.326 122.301 119.950 0.042 0.000 2.450 30 F HA 0.931 5.457 4.527 -0.000 0.000 0.332 30 F C 0.858 176.721 175.800 0.105 0.000 1.093 30 F CA 0.052 58.105 58.000 0.089 0.000 1.003 30 F CB 2.076 41.137 39.000 0.102 0.000 1.151 30 F HN 0.766 nan 8.300 nan 0.000 0.474 31 G N 1.846 110.852 108.800 0.345 0.000 2.317 31 G HA2 0.464 4.424 3.960 0.000 0.000 0.293 31 G HA3 0.464 4.424 3.960 0.000 0.000 0.293 31 G C -2.126 172.979 174.900 0.341 0.000 1.287 31 G CA -0.914 44.389 45.100 0.339 0.000 0.850 31 G HN 0.537 nan 8.290 nan 0.000 0.515 32 I N 2.037 122.784 120.570 0.295 0.000 2.534 32 I HA 0.392 4.562 4.170 0.000 0.000 0.288 32 I C -2.279 173.748 176.117 -0.150 0.000 1.077 32 I CA -1.991 59.340 61.300 0.050 0.000 1.051 32 I CB 3.115 41.120 38.000 0.008 0.000 1.234 32 I HN 0.315 nan 8.210 nan 0.000 0.425 33 P HA 0.428 nan 4.420 nan 0.000 0.276 33 P C -0.482 176.616 177.300 -0.337 0.000 1.252 33 P CA -0.066 62.494 63.100 -0.900 0.000 0.802 33 P CB 1.778 32.722 31.700 -1.261 0.000 1.035 34 G N -1.412 107.258 108.800 -0.216 0.000 2.646 34 G HA2 0.431 4.391 3.960 0.000 0.000 0.291 34 G HA3 0.431 4.391 3.960 0.000 0.000 0.291 34 G C 0.507 175.371 174.900 -0.059 0.000 1.445 34 G CA -0.055 44.984 45.100 -0.101 0.000 0.814 34 G HN 0.383 nan 8.290 nan 0.000 0.495 35 A N 0.394 123.191 122.820 -0.038 0.000 1.884 35 A HA -0.117 4.203 4.320 0.000 0.000 0.219 35 A C 2.271 179.855 177.584 0.000 0.000 1.197 35 A CA 2.582 54.607 52.037 -0.020 0.000 0.637 35 A CB -0.476 18.516 19.000 -0.014 0.000 0.827 35 A HN 0.533 nan 8.150 nan 0.000 0.450 36 K N -1.338 119.069 120.400 0.012 0.000 2.152 36 K HA -0.021 4.299 4.320 0.000 0.000 0.206 36 K C 1.336 177.960 176.600 0.041 0.000 1.048 36 K CA 1.260 57.562 56.287 0.026 0.000 0.933 36 K CB -0.225 32.294 32.500 0.033 0.000 0.721 36 K HN 0.512 nan 8.250 nan 0.000 0.447 37 I N 0.489 121.098 120.570 0.065 0.000 4.082 37 I HA -0.015 4.155 4.170 0.000 0.000 0.337 37 I C 0.160 176.390 176.117 0.188 0.000 1.352 37 I CA -0.134 61.239 61.300 0.122 0.000 1.097 37 I CB 0.225 38.337 38.000 0.186 0.000 1.048 37 I HN 0.121 nan 8.210 nan 0.000 0.393 38 D N 0.295 120.754 120.400 0.099 0.000 2.265 38 D HA -0.278 4.362 4.640 0.000 0.000 0.208 38 D C 1.913 178.281 176.300 0.113 0.000 0.977 38 D CA 1.036 55.093 54.000 0.096 0.000 0.871 38 D CB -0.251 40.541 40.800 -0.014 0.000 0.925 38 D HN 0.130 nan 8.370 nan 0.000 0.485 39 K N 0.518 120.948 120.400 0.051 0.000 2.148 39 K HA -0.007 4.313 4.320 0.000 0.000 0.204 39 K C 1.810 178.419 176.600 0.016 0.000 1.050 39 K CA 0.694 56.971 56.287 -0.016 0.000 0.942 39 K CB -0.292 32.155 32.500 -0.088 0.000 0.724 39 K HN 0.133 nan 8.250 nan 0.000 0.446 40 V N 0.351 120.299 119.914 0.057 0.000 2.358 40 V HA -0.162 3.958 4.120 0.000 0.000 0.246 40 V C 1.851 177.938 176.094 -0.012 0.000 1.047 40 V CA 1.598 63.895 62.300 -0.003 0.000 1.035 40 V CB -0.579 31.212 31.823 -0.052 0.000 0.658 40 V HN 0.170 nan 8.190 nan 0.000 0.452 41 F N 0.871 120.807 119.950 -0.024 0.000 2.171 41 F HA -0.172 4.355 4.527 0.000 0.000 0.300 41 F C 2.217 178.006 175.800 -0.018 0.000 1.090 41 F CA 2.014 60.004 58.000 -0.016 0.000 1.293 41 F CB -0.493 38.500 39.000 -0.011 0.000 1.013 41 F HN 0.259 nan 8.300 nan 0.000 0.486 42 D N -0.606 119.891 120.400 0.161 0.000 2.097 42 D HA -0.150 4.490 4.640 0.000 0.000 0.197 42 D C 2.163 178.488 176.300 0.042 0.000 0.984 42 D CA 1.642 55.687 54.000 0.075 0.000 0.826 42 D CB -0.058 40.757 40.800 0.024 0.000 0.973 42 D HN 0.038 nan 8.370 nan 0.000 0.460 43 S N -0.505 115.209 115.700 0.023 0.000 2.423 43 S HA -0.053 4.417 4.470 0.000 0.000 0.231 43 S C 1.956 176.564 174.600 0.012 0.000 1.014 43 S CA 0.377 58.591 58.200 0.024 0.000 0.965 43 S CB -0.239 62.973 63.200 0.020 0.000 0.785 43 S HN 0.322 nan 8.310 nan 0.000 0.495 44 L N 1.038 122.254 121.223 -0.012 0.000 2.265 44 L HA -0.048 4.292 4.340 0.000 0.000 0.215 44 L C 1.936 178.806 176.870 -0.000 0.000 1.117 44 L CA 0.681 55.502 54.840 -0.031 0.000 0.782 44 L CB -0.518 41.490 42.059 -0.085 0.000 0.914 44 L HN 0.315 nan 8.230 nan 0.000 0.441 45 L N -0.528 120.709 121.223 0.024 0.000 2.191 45 L HA -0.183 4.157 4.340 0.000 0.000 0.212 45 L C 1.003 177.888 176.870 0.025 0.000 1.103 45 L CA 0.912 55.770 54.840 0.030 0.000 0.769 45 L CB -0.328 41.754 42.059 0.039 0.000 0.908 45 L HN 0.307 nan 8.230 nan 0.000 0.438 46 D N -0.294 120.123 120.400 0.029 0.000 2.460 46 D HA 0.083 4.723 4.640 0.000 0.000 0.229 46 D C 0.681 176.997 176.300 0.028 0.000 1.170 46 D CA 0.208 54.227 54.000 0.033 0.000 0.827 46 D CB 0.318 41.147 40.800 0.048 0.000 0.973 46 D HN 0.285 nan 8.370 nan 0.000 0.496 47 S N -0.890 114.818 115.700 0.014 0.000 2.811 47 S HA 0.363 4.833 4.470 0.000 0.000 0.311 47 S C 0.940 175.538 174.600 -0.003 0.000 1.152 47 S CA -0.444 57.759 58.200 0.006 0.000 0.864 47 S CB 1.696 64.892 63.200 -0.006 0.000 1.226 47 S HN -0.060 nan 8.310 nan 0.000 0.541 48 S N -0.413 115.281 115.700 -0.011 0.000 2.575 48 S HA 0.329 4.799 4.470 0.000 0.000 0.215 48 S C 0.399 174.983 174.600 -0.027 0.000 0.966 48 S CA -0.420 57.771 58.200 -0.015 0.000 0.911 48 S CB -0.835 62.356 63.200 -0.016 0.000 0.780 48 S HN 0.611 nan 8.310 nan 0.000 0.514 49 I N 2.762 123.310 120.570 -0.037 0.000 2.416 49 I HA 0.256 4.426 4.170 0.000 0.000 0.288 49 I C 0.711 176.793 176.117 -0.060 0.000 1.051 49 I CA -0.493 60.773 61.300 -0.057 0.000 1.375 49 I CB 0.730 38.687 38.000 -0.072 0.000 1.407 49 I HN 0.143 nan 8.210 nan 0.000 0.516 50 R N 7.024 127.482 120.500 -0.070 0.000 2.347 50 R HA 0.379 4.719 4.340 0.000 0.000 0.304 50 R C -0.633 175.611 176.300 -0.092 0.000 1.072 50 R CA -0.443 55.620 56.100 -0.061 0.000 0.980 50 R CB 0.533 30.801 30.300 -0.053 0.000 0.986 50 R HN 0.586 nan 8.270 nan 0.000 0.448 51 I N 6.715 127.259 120.570 -0.043 0.000 2.337 51 I HA 0.136 4.306 4.170 0.000 0.000 0.291 51 I C 0.056 176.177 176.117 0.007 0.000 1.046 51 I CA -0.081 61.205 61.300 -0.023 0.000 1.324 51 I CB 0.890 38.930 38.000 0.067 0.000 1.409 51 I HN 0.514 nan 8.210 nan 0.000 0.494 52 I N 9.218 129.768 120.570 -0.034 0.000 2.371 52 I HA 0.293 4.463 4.170 0.000 0.000 0.282 52 I C -2.352 173.866 176.117 0.168 0.000 1.031 52 I CA -1.914 59.413 61.300 0.044 0.000 1.180 52 I CB 1.194 39.165 38.000 -0.048 0.000 1.336 52 I HN 0.241 nan 8.210 nan 0.000 0.467 53 P HA 0.142 nan 4.420 nan 0.000 0.281 53 P C -0.342 177.072 177.300 0.190 0.000 1.252 53 P CA -0.182 63.032 63.100 0.190 0.000 0.778 53 P CB 1.064 32.842 31.700 0.131 0.000 0.895 54 V N 2.156 122.187 119.914 0.195 0.000 3.234 54 V HA 0.556 4.676 4.120 0.000 0.000 0.317 54 V C 1.004 177.176 176.094 0.130 0.000 1.147 54 V CA -0.587 61.820 62.300 0.178 0.000 1.037 54 V CB 2.048 33.991 31.823 0.201 0.000 1.148 54 V HN 0.213 nan 8.190 nan 0.000 0.455 55 R N -0.613 119.965 120.500 0.129 0.000 2.308 55 R HA 0.338 4.678 4.340 0.000 0.000 0.202 55 R C 0.132 176.514 176.300 0.136 0.000 0.898 55 R CA 0.400 56.570 56.100 0.116 0.000 1.046 55 R CB -0.338 30.038 30.300 0.125 0.000 1.026 55 R HN 0.924 nan 8.270 nan 0.000 0.512 56 H N -0.005 119.096 119.070 0.051 0.000 3.042 56 H HA 0.157 4.713 4.556 -0.000 0.000 0.345 56 H C -0.081 175.264 175.328 0.028 0.000 1.052 56 H CA -0.178 55.889 56.048 0.033 0.000 1.311 56 H CB 1.680 31.455 29.762 0.022 0.000 1.810 56 H HN -0.212 nan 8.280 nan 0.000 0.505 57 E N 3.162 123.319 120.200 -0.071 0.000 2.130 57 E HA -0.160 4.190 4.350 0.000 0.000 0.196 57 E C 2.035 178.688 176.600 0.088 0.000 0.998 57 E CA 1.859 58.280 56.400 0.036 0.000 0.806 57 E CB 0.087 29.772 29.700 -0.026 0.000 0.738 57 E HN 0.665 nan 8.360 nan 0.000 0.459 58 A N 1.457 124.428 122.820 0.252 0.000 1.917 58 A HA -0.277 4.043 4.320 0.000 0.000 0.219 58 A C 1.798 179.163 177.584 -0.365 0.000 1.182 58 A CA 1.897 53.874 52.037 -0.100 0.000 0.633 58 A CB -0.589 18.369 19.000 -0.071 0.000 0.819 58 A HN 0.199 nan 8.150 nan 0.000 0.448 59 N N 0.257 118.941 118.700 -0.026 0.000 2.381 59 N HA -0.040 4.700 4.740 0.000 0.000 0.182 59 N C 1.779 177.284 175.510 -0.007 0.000 1.025 59 N CA 1.235 54.325 53.050 0.066 0.000 0.888 59 N CB -0.493 38.073 38.487 0.133 0.000 0.965 59 N HN 0.518 nan 8.380 nan 0.000 0.438 60 A N 1.217 124.038 122.820 0.002 0.000 1.902 60 A HA 0.040 4.360 4.320 0.000 0.000 0.217 60 A C 2.395 179.947 177.584 -0.054 0.000 1.181 60 A CA 1.760 53.818 52.037 0.035 0.000 0.623 60 A CB -0.708 18.384 19.000 0.154 0.000 0.818 60 A HN 0.297 nan 8.150 nan 0.000 0.443 61 A N -1.094 121.661 122.820 -0.108 0.000 1.930 61 A HA 0.008 4.328 4.320 0.000 0.000 0.217 61 A C 2.043 179.604 177.584 -0.037 0.000 1.175 61 A CA 1.300 53.272 52.037 -0.108 0.000 0.627 61 A CB -0.763 18.116 19.000 -0.202 0.000 0.815 61 A HN 0.537 nan 8.150 nan 0.000 0.443 62 F N -0.656 119.306 119.950 0.021 0.000 2.146 62 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 62 F C 2.631 178.493 175.800 0.102 0.000 1.096 62 F CA 1.183 59.222 58.000 0.066 0.000 1.275 62 F CB -0.334 38.599 39.000 -0.113 0.000 1.008 62 F HN 0.126 nan 8.300 nan 0.000 0.480 63 M N -0.025 119.587 119.600 0.020 0.000 2.159 63 M HA -0.185 4.295 4.480 0.000 0.000 0.263 63 M C 2.503 178.585 176.300 -0.362 0.000 1.063 63 M CA 1.663 56.762 55.300 -0.334 0.000 1.110 63 M CB -0.530 31.436 32.600 -1.056 0.000 1.374 63 M HN 0.200 nan 8.290 nan 0.000 0.411 64 A N 0.282 122.946 122.820 -0.261 0.000 1.930 64 A HA -0.014 4.306 4.320 0.000 0.000 0.217 64 A C 2.354 179.998 177.584 0.101 0.000 1.175 64 A CA 1.749 53.816 52.037 0.050 0.000 0.627 64 A CB -0.845 18.239 19.000 0.141 0.000 0.815 64 A HN 0.488 nan 8.150 nan 0.000 0.443 65 A N -0.043 122.861 122.820 0.140 0.000 1.902 65 A HA 0.161 4.481 4.320 0.000 0.000 0.217 65 A C 2.491 180.114 177.584 0.066 0.000 1.181 65 A CA 2.027 54.158 52.037 0.158 0.000 0.623 65 A CB -0.966 18.228 19.000 0.325 0.000 0.818 65 A HN 1.020 nan 8.150 nan 0.000 0.443 66 A N -0.576 122.289 122.820 0.075 0.000 1.902 66 A HA 0.006 4.326 4.320 0.000 0.000 0.217 66 A C 2.210 179.802 177.584 0.012 0.000 1.181 66 A CA 1.746 53.761 52.037 -0.038 0.000 0.623 66 A CB -0.905 18.128 19.000 0.055 0.000 0.818 66 A HN 0.391 nan 8.150 nan 0.000 0.443 67 V N -0.082 119.881 119.914 0.082 0.000 2.407 67 V HA -0.180 3.940 4.120 0.000 0.000 0.248 67 V C 2.776 178.914 176.094 0.074 0.000 1.055 67 V CA 1.935 64.303 62.300 0.114 0.000 1.049 67 V CB -1.383 30.573 31.823 0.222 0.000 0.662 67 V HN 0.615 nan 8.190 nan 0.000 0.455 68 G N -0.460 108.378 108.800 0.064 0.000 2.404 68 G HA2 -0.278 3.682 3.960 0.000 0.000 0.215 68 G HA3 -0.278 3.682 3.960 0.000 0.000 0.215 68 G C 1.715 176.620 174.900 0.009 0.000 1.174 68 G CA 0.830 45.956 45.100 0.043 0.000 0.780 68 G HN 0.427 nan 8.290 nan 0.000 0.537 69 R N -0.035 120.450 120.500 -0.024 0.000 2.120 69 R HA 0.062 4.402 4.340 0.000 0.000 0.234 69 R C 2.405 178.676 176.300 -0.049 0.000 1.123 69 R CA 1.038 57.104 56.100 -0.057 0.000 0.975 69 R CB -0.235 29.986 30.300 -0.131 0.000 0.866 69 R HN 0.454 nan 8.270 nan 0.000 0.446 70 I N -0.334 120.215 120.570 -0.036 0.000 2.339 70 I HA -0.159 4.011 4.170 0.000 0.000 0.245 70 I C 2.346 178.457 176.117 -0.009 0.000 1.096 70 I CA 1.452 62.736 61.300 -0.026 0.000 1.408 70 I CB -0.227 37.764 38.000 -0.016 0.000 1.092 70 I HN 0.300 nan 8.210 nan 0.000 0.423 71 T N -2.191 112.368 114.554 0.008 0.000 3.014 71 T HA 0.182 4.532 4.350 0.000 0.000 0.263 71 T C 1.708 176.416 174.700 0.014 0.000 1.078 71 T CA 0.809 62.917 62.100 0.013 0.000 1.135 71 T CB 0.345 69.231 68.868 0.030 0.000 0.895 71 T HN 0.516 nan 8.240 nan 0.000 0.480 72 G N 1.270 110.079 108.800 0.016 0.000 2.195 72 G HA2 -0.211 3.749 3.960 0.000 0.000 0.246 72 G HA3 -0.211 3.749 3.960 0.000 0.000 0.246 72 G C -0.022 174.900 174.900 0.036 0.000 0.984 72 G CA 0.145 45.254 45.100 0.016 0.000 0.633 72 G HN 0.696 nan 8.290 nan 0.000 0.525 73 K N 0.743 121.174 120.400 0.053 0.000 2.164 73 K HA 0.721 5.041 4.320 0.000 0.000 0.258 73 K C 0.537 177.202 176.600 0.109 0.000 0.951 73 K CA -0.175 56.166 56.287 0.091 0.000 0.844 73 K CB 1.921 34.476 32.500 0.091 0.000 1.099 73 K HN 0.549 nan 8.250 nan 0.000 0.435 74 A N 1.846 124.747 122.820 0.135 0.000 2.546 74 A HA 0.223 4.543 4.320 0.000 0.000 0.243 74 A C 0.553 178.198 177.584 0.100 0.000 1.063 74 A CA 0.262 52.330 52.037 0.051 0.000 0.757 74 A CB -0.210 18.683 19.000 -0.178 0.000 0.991 74 A HN 0.801 nan 8.150 nan 0.000 0.503 75 G N 0.622 109.475 108.800 0.088 0.000 2.503 75 G HA2 0.496 4.456 3.960 0.000 0.000 0.257 75 G HA3 0.496 4.456 3.960 0.000 0.000 0.257 75 G C -0.493 174.486 174.900 0.131 0.000 1.214 75 G CA -0.308 44.897 45.100 0.174 0.000 0.839 75 G HN 0.903 nan 8.290 nan 0.000 0.559 76 V N 0.614 120.650 119.914 0.203 0.000 2.540 76 V HA 0.728 4.848 4.120 0.000 0.000 0.302 76 V C 0.327 176.538 176.094 0.195 0.000 1.035 76 V CA -0.742 61.633 62.300 0.126 0.000 0.873 76 V CB 1.324 33.210 31.823 0.104 0.000 0.992 76 V HN 1.115 nan 8.190 nan 0.000 0.428 77 A N 4.541 127.436 122.820 0.125 0.000 2.350 77 A HA 0.936 5.256 4.320 0.000 0.000 0.324 77 A C -1.313 176.310 177.584 0.065 0.000 1.118 77 A CA -0.566 51.561 52.037 0.150 0.000 0.783 77 A CB 1.490 20.573 19.000 0.137 0.000 1.236 77 A HN 0.858 nan 8.150 nan 0.000 0.457 78 L N 3.429 124.693 121.223 0.068 0.000 2.404 78 L HA 0.723 5.063 4.340 0.000 0.000 0.272 78 L C -0.597 176.396 176.870 0.205 0.000 0.980 78 L CA -0.407 54.444 54.840 0.018 0.000 0.836 78 L CB 1.689 43.587 42.059 -0.268 0.000 1.238 78 L HN 0.993 nan 8.230 nan 0.000 0.408 79 V N 1.061 121.092 119.914 0.194 0.000 3.102 79 V HA 0.741 4.861 4.120 0.000 0.000 0.312 79 V C -0.053 176.152 176.094 0.185 0.000 1.135 79 V CA -0.396 62.034 62.300 0.216 0.000 1.022 79 V CB 1.639 33.558 31.823 0.160 0.000 1.056 79 V HN 0.754 nan 8.190 nan 0.000 0.436 80 T N 1.187 115.822 114.554 0.134 0.000 2.810 80 T HA 0.487 4.837 4.350 0.000 0.000 0.277 80 T C 0.656 175.412 174.700 0.094 0.000 0.973 80 T CA 0.417 62.574 62.100 0.096 0.000 0.949 80 T CB 0.943 69.835 68.868 0.039 0.000 1.075 80 T HN 1.675 nan 8.240 nan 0.000 0.537 81 S N 0.277 116.024 115.700 0.077 0.000 2.606 81 S HA 0.537 5.007 4.470 0.000 0.000 0.257 81 S C 1.273 175.915 174.600 0.071 0.000 1.327 81 S CA -0.071 58.181 58.200 0.085 0.000 0.984 81 S CB -0.245 62.995 63.200 0.066 0.000 0.941 81 S HN 1.632 nan 8.310 nan 0.000 0.576 82 G N 1.516 110.361 108.800 0.075 0.000 2.622 82 G HA2 -0.278 3.682 3.960 0.000 0.000 0.307 82 G HA3 -0.278 3.682 3.960 0.000 0.000 0.307 82 G C -1.130 173.797 174.900 0.045 0.000 1.226 82 G CA 0.249 45.381 45.100 0.053 0.000 0.997 82 G HN 0.734 nan 8.290 nan 0.000 0.551 83 P HA -0.100 nan 4.420 nan 0.000 0.218 83 P C 1.963 179.268 177.300 0.008 0.000 1.146 83 P CA 2.644 65.746 63.100 0.004 0.000 0.813 83 P CB -0.764 30.930 31.700 -0.011 0.000 0.778 84 G N -0.001 108.814 108.800 0.025 0.000 2.476 84 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 84 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 84 G C 1.719 176.673 174.900 0.090 0.000 1.164 84 G CA 1.134 46.258 45.100 0.040 0.000 0.768 84 G HN 0.275 nan 8.290 nan 0.000 0.560 85 C N 1.026 120.407 119.300 0.135 0.000 2.486 85 C HA 0.052 4.512 4.460 0.000 0.000 0.279 85 C C 3.474 178.591 174.990 0.210 0.000 1.302 85 C CA 1.189 60.344 59.018 0.228 0.000 1.720 85 C CB -0.659 27.247 27.740 0.276 0.000 2.030 85 C HN 0.598 nan 8.230 nan 0.000 0.490 86 S N 1.794 117.538 115.700 0.074 0.000 2.419 86 S HA -0.155 4.315 4.470 0.000 0.000 0.233 86 S C 1.330 175.906 174.600 -0.039 0.000 1.016 86 S CA 1.617 59.790 58.200 -0.046 0.000 0.974 86 S CB -0.664 62.504 63.200 -0.054 0.000 0.786 86 S HN 0.584 nan 8.310 nan 0.000 0.492 87 N N 1.221 119.928 118.700 0.011 0.000 2.512 87 N HA 0.219 4.959 4.740 0.000 0.000 0.183 87 N C 1.282 176.823 175.510 0.051 0.000 1.073 87 N CA 0.524 53.594 53.050 0.034 0.000 0.911 87 N CB -0.390 38.059 38.487 -0.062 0.000 0.964 87 N HN 0.466 nan 8.380 nan 0.000 0.447 88 L N -0.301 120.962 121.223 0.066 0.000 2.416 88 L HA 0.168 4.508 4.340 0.000 0.000 0.216 88 L C 1.705 178.589 176.870 0.022 0.000 1.098 88 L CA 0.090 54.977 54.840 0.077 0.000 0.840 88 L CB -0.036 42.163 42.059 0.232 0.000 0.981 88 L HN 0.090 nan 8.230 nan 0.000 0.462 89 I N 0.082 120.583 120.570 -0.114 0.000 2.113 89 I HA -0.413 3.757 4.170 0.000 0.000 0.242 89 I C 2.398 178.421 176.117 -0.157 0.000 1.057 89 I CA 1.967 63.075 61.300 -0.320 0.000 1.314 89 I CB -0.728 36.970 38.000 -0.504 0.000 1.022 89 I HN 0.271 nan 8.210 nan 0.000 0.408 90 T N 0.351 114.836 114.554 -0.114 0.000 2.788 90 T HA -0.104 4.246 4.350 0.000 0.000 0.268 90 T C 1.862 176.542 174.700 -0.033 0.000 1.044 90 T CA 1.412 63.483 62.100 -0.048 0.000 1.139 90 T CB -0.650 68.214 68.868 -0.006 0.000 0.867 90 T HN 0.631 nan 8.240 nan 0.000 0.454 91 G N 1.582 110.249 108.800 -0.221 0.000 2.421 91 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 91 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 91 G C 1.528 176.401 174.900 -0.044 0.000 1.171 91 G CA 0.635 45.484 45.100 -0.418 0.000 0.775 91 G HN 0.300 nan 8.290 nan 0.000 0.543 92 M N 1.143 120.762 119.600 0.031 0.000 2.175 92 M HA 0.098 4.578 4.480 0.000 0.000 0.264 92 M C 2.960 179.329 176.300 0.115 0.000 1.063 92 M CA 1.175 56.552 55.300 0.128 0.000 1.119 92 M CB -1.189 31.577 32.600 0.277 0.000 1.377 92 M HN 0.319 nan 8.290 nan 0.000 0.415 93 A N -0.093 122.770 122.820 0.072 0.000 1.898 93 A HA -0.107 4.213 4.320 0.000 0.000 0.216 93 A C 2.339 179.985 177.584 0.102 0.000 1.181 93 A CA 2.083 54.157 52.037 0.061 0.000 0.620 93 A CB -1.054 17.953 19.000 0.012 0.000 0.819 93 A HN 0.453 nan 8.150 nan 0.000 0.442 94 T N 0.456 115.104 114.554 0.156 0.000 2.708 94 T HA -0.058 4.292 4.350 0.000 0.000 0.266 94 T C 2.244 177.084 174.700 0.234 0.000 1.037 94 T CA 1.711 63.946 62.100 0.225 0.000 1.146 94 T CB -0.494 68.605 68.868 0.385 0.000 0.865 94 T HN 0.590 nan 8.240 nan 0.000 0.435 95 A N 1.851 124.814 122.820 0.239 0.000 1.902 95 A HA -0.173 4.147 4.320 0.000 0.000 0.217 95 A C 2.201 179.863 177.584 0.131 0.000 1.181 95 A CA 2.064 54.222 52.037 0.201 0.000 0.623 95 A CB -0.912 18.194 19.000 0.176 0.000 0.818 95 A HN 0.482 nan 8.150 nan 0.000 0.443 96 N N -0.088 118.681 118.700 0.114 0.000 2.166 96 N HA -0.105 4.635 4.740 0.000 0.000 0.186 96 N C 1.881 177.433 175.510 0.071 0.000 1.019 96 N CA 1.760 54.862 53.050 0.085 0.000 0.856 96 N CB -0.212 38.325 38.487 0.083 0.000 0.993 96 N HN 0.360 nan 8.380 nan 0.000 0.426 97 S N 0.059 115.806 115.700 0.078 0.000 2.368 97 S HA -0.050 4.420 4.470 0.000 0.000 0.225 97 S C 1.217 175.855 174.600 0.064 0.000 1.030 97 S CA 0.936 59.174 58.200 0.062 0.000 0.999 97 S CB -0.202 63.037 63.200 0.065 0.000 0.844 97 S HN 0.390 nan 8.310 nan 0.000 0.459 98 E N 0.277 120.530 120.200 0.088 0.000 2.502 98 E HA 0.180 4.530 4.350 0.000 0.000 0.194 98 E C 1.202 177.827 176.600 0.043 0.000 1.062 98 E CA 0.404 56.847 56.400 0.072 0.000 0.867 98 E CB -0.451 29.305 29.700 0.093 0.000 0.888 98 E HN 0.524 nan 8.360 nan 0.000 0.510 99 G N 2.260 111.088 108.800 0.047 0.000 2.198 99 G HA2 -0.209 3.751 3.960 0.000 0.000 0.257 99 G HA3 -0.209 3.751 3.960 0.000 0.000 0.257 99 G C -0.620 174.295 174.900 0.025 0.000 1.042 99 G CA 0.095 45.214 45.100 0.032 0.000 0.791 99 G HN 0.138 nan 8.290 nan 0.000 0.502 100 D N 1.265 121.689 120.400 0.039 0.000 2.274 100 D HA 0.380 5.020 4.640 0.000 0.000 0.239 100 D C -2.069 174.254 176.300 0.037 0.000 1.104 100 D CA -1.223 52.795 54.000 0.030 0.000 0.840 100 D CB 1.855 42.682 40.800 0.045 0.000 1.100 100 D HN 0.178 nan 8.370 nan 0.000 0.477 101 P HA 0.074 nan 4.420 nan 0.000 0.271 101 P C -0.571 176.726 177.300 -0.005 0.000 1.233 101 P CA -0.175 62.927 63.100 0.003 0.000 0.764 101 P CB 0.943 32.645 31.700 0.003 0.000 0.825 102 V N 4.837 124.734 119.914 -0.028 0.000 2.733 102 V HA 0.252 4.372 4.120 0.000 0.000 0.306 102 V C -0.091 175.931 176.094 -0.120 0.000 1.084 102 V CA -0.748 61.530 62.300 -0.037 0.000 0.905 102 V CB 2.712 34.558 31.823 0.038 0.000 1.010 102 V HN 0.220 nan 8.190 nan 0.000 0.424 103 V N 3.747 123.529 119.914 -0.221 0.000 2.378 103 V HA 0.792 4.912 4.120 0.000 0.000 0.288 103 V C 0.318 176.322 176.094 -0.150 0.000 1.016 103 V CA -0.416 61.701 62.300 -0.304 0.000 0.840 103 V CB 1.707 33.070 31.823 -0.766 0.000 0.994 103 V HN 1.010 nan 8.190 nan 0.000 0.431 104 A N 6.568 129.335 122.820 -0.089 0.000 2.276 104 A HA 0.859 5.179 4.320 0.000 0.000 0.316 104 A C -0.745 176.735 177.584 -0.173 0.000 1.229 104 A CA -0.472 51.540 52.037 -0.042 0.000 0.851 104 A CB 0.583 19.631 19.000 0.079 0.000 1.165 104 A HN 0.811 nan 8.150 nan 0.000 0.513 105 L N 3.121 124.263 121.223 -0.135 0.000 2.294 105 L HA 0.605 4.945 4.340 0.000 0.000 0.283 105 L C 0.602 177.391 176.870 -0.135 0.000 1.015 105 L CA -0.390 54.328 54.840 -0.204 0.000 0.831 105 L CB 1.778 43.761 42.059 -0.127 0.000 1.217 105 L HN 0.805 nan 8.230 nan 0.000 0.420 106 G N 1.654 110.309 108.800 -0.240 0.000 2.461 106 G HA2 0.580 4.540 3.960 0.000 0.000 0.323 106 G HA3 0.580 4.540 3.960 0.000 0.000 0.323 106 G C -0.077 174.818 174.900 -0.008 0.000 1.229 106 G CA -0.503 44.597 45.100 0.001 0.000 0.941 106 G HN 0.626 nan 8.290 nan 0.000 0.477 107 G N -0.431 108.406 108.800 0.061 0.000 2.606 107 G HA2 0.701 4.661 3.960 0.000 0.000 0.252 107 G HA3 0.701 4.661 3.960 0.000 0.000 0.252 107 G C -0.027 174.912 174.900 0.066 0.000 1.206 107 G CA 0.512 45.642 45.100 0.050 0.000 0.861 107 G HN 1.473 nan 8.290 nan 0.000 0.561 108 A N -0.660 122.187 122.820 0.046 0.000 2.610 108 A HA 0.706 5.026 4.320 0.000 0.000 0.291 108 A C 0.025 177.630 177.584 0.036 0.000 1.086 108 A CA -0.044 52.026 52.037 0.054 0.000 0.677 108 A CB 0.729 19.762 19.000 0.055 0.000 1.278 108 A HN 2.048 nan 8.150 nan 0.000 0.414 109 V N -0.783 119.152 119.914 0.036 0.000 3.432 109 V HA 0.296 4.416 4.120 0.000 0.000 0.304 109 V C 0.397 176.503 176.094 0.020 0.000 1.107 109 V CA -0.400 61.915 62.300 0.025 0.000 1.153 109 V CB -0.336 31.500 31.823 0.022 0.000 1.072 109 V HN 0.836 nan 8.190 nan 0.000 0.485 110 K N 1.265 121.675 120.400 0.016 0.000 2.380 110 K HA 0.164 4.484 4.320 0.000 0.000 0.267 110 K C 1.458 178.064 176.600 0.011 0.000 0.990 110 K CA -0.046 56.249 56.287 0.013 0.000 0.946 110 K CB 0.440 32.947 32.500 0.013 0.000 0.937 110 K HN 0.574 nan 8.250 nan 0.000 0.491 111 R N 1.143 121.649 120.500 0.009 0.000 2.113 111 R HA -0.221 4.119 4.340 0.000 0.000 0.244 111 R C 1.739 178.041 176.300 0.004 0.000 1.142 111 R CA 1.967 58.071 56.100 0.007 0.000 0.953 111 R CB -0.368 29.936 30.300 0.006 0.000 0.860 111 R HN 0.682 nan 8.270 nan 0.000 0.438 112 A N 1.049 123.871 122.820 0.004 0.000 2.278 112 A HA -0.022 4.298 4.320 0.000 0.000 0.212 112 A C 0.136 177.718 177.584 -0.003 0.000 1.213 112 A CA -0.266 51.771 52.037 -0.000 0.000 0.840 112 A CB -0.103 18.898 19.000 0.002 0.000 0.866 112 A HN 0.124 nan 8.150 nan 0.000 0.489 113 D N 1.369 121.769 120.400 -0.001 0.000 2.472 113 D HA -0.029 4.611 4.640 0.000 0.000 0.248 113 D C 1.135 177.427 176.300 -0.013 0.000 1.174 113 D CA 0.307 54.305 54.000 -0.003 0.000 0.883 113 D CB 0.782 41.584 40.800 0.002 0.000 1.149 113 D HN 0.555 nan 8.370 nan 0.000 0.488 114 K N 2.895 123.285 120.400 -0.015 0.000 2.442 114 K HA -0.063 4.257 4.320 0.000 0.000 0.198 114 K C 1.474 178.052 176.600 -0.036 0.000 1.042 114 K CA 0.763 57.034 56.287 -0.027 0.000 0.958 114 K CB 0.031 32.519 32.500 -0.021 0.000 0.766 114 K HN 0.253 nan 8.250 nan 0.000 0.474 115 A N 2.214 125.020 122.820 -0.024 0.000 2.121 115 A HA -0.099 4.221 4.320 0.000 0.000 0.218 115 A C 1.732 179.293 177.584 -0.038 0.000 1.154 115 A CA 1.010 53.034 52.037 -0.022 0.000 0.679 115 A CB -0.244 18.754 19.000 -0.003 0.000 0.795 115 A HN 0.354 nan 8.150 nan 0.000 0.458 116 K N -0.488 119.886 120.400 -0.044 0.000 2.103 116 K HA -0.115 4.205 4.320 0.000 0.000 0.204 116 K C 2.080 178.579 176.600 -0.169 0.000 1.052 116 K CA 1.436 57.689 56.287 -0.056 0.000 0.945 116 K CB -0.156 32.328 32.500 -0.027 0.000 0.722 116 K HN 0.583 nan 8.250 nan 0.000 0.443 117 Q N 0.585 120.280 119.800 -0.176 0.000 2.230 117 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 117 Q C 1.833 177.592 176.000 -0.402 0.000 0.963 117 Q CA 1.200 56.842 55.803 -0.268 0.000 0.866 117 Q CB 0.163 28.818 28.738 -0.139 0.000 0.931 117 Q HN 0.259 nan 8.270 nan 0.000 0.452 118 V N -3.087 116.681 119.914 -0.245 0.000 3.633 118 V HA 0.058 4.178 4.120 0.000 0.000 0.283 118 V C -0.111 175.940 176.094 -0.072 0.000 1.305 118 V CA -0.068 62.145 62.300 -0.146 0.000 1.153 118 V CB -0.667 31.128 31.823 -0.048 0.000 0.950 118 V HN 0.383 nan 8.190 nan 0.000 0.432 119 H N 0.169 119.243 119.070 0.007 0.000 2.791 119 H HA -0.226 4.330 4.556 -0.000 0.000 0.302 119 H C 1.456 176.788 175.328 0.007 0.000 1.198 119 H CA 1.242 57.294 56.048 0.007 0.000 1.145 119 H CB -1.496 28.269 29.762 0.004 0.000 1.385 119 H HN 0.702 nan 8.280 nan 0.000 0.409 120 Q N 1.233 121.071 119.800 0.063 0.000 2.432 120 Q HA 0.048 4.388 4.340 0.000 0.000 0.205 120 Q C 0.401 176.427 176.000 0.044 0.000 0.945 120 Q CA 0.915 56.745 55.803 0.045 0.000 0.924 120 Q CB 0.674 29.424 28.738 0.020 0.000 1.016 120 Q HN 0.512 nan 8.270 nan 0.000 0.503 121 S N -0.772 114.959 115.700 0.052 0.000 2.500 121 S HA 0.539 5.009 4.470 0.000 0.000 0.301 121 S C -0.128 174.513 174.600 0.068 0.000 1.092 121 S CA -0.939 57.292 58.200 0.052 0.000 1.030 121 S CB 1.051 64.277 63.200 0.043 0.000 1.031 121 S HN 0.247 nan 8.310 nan 0.000 0.483 122 M N 2.866 122.503 119.600 0.060 0.000 2.261 122 M HA 0.005 4.485 4.480 0.000 0.000 0.350 122 M C 0.193 176.539 176.300 0.077 0.000 1.343 122 M CA 0.371 55.706 55.300 0.059 0.000 1.003 122 M CB 0.022 32.650 32.600 0.048 0.000 1.848 122 M HN 0.723 nan 8.290 nan 0.000 0.456 123 D N 2.935 123.377 120.400 0.069 0.000 2.551 123 D HA 0.026 4.666 4.640 0.000 0.000 0.223 123 D C 1.254 177.602 176.300 0.081 0.000 1.144 123 D CA -0.075 53.973 54.000 0.080 0.000 1.025 123 D CB 0.397 41.236 40.800 0.065 0.000 1.085 123 D HN 0.701 nan 8.370 nan 0.000 0.506 124 T N -1.134 113.496 114.554 0.127 0.000 2.788 124 T HA -0.164 4.186 4.350 0.000 0.000 0.268 124 T C 2.065 176.882 174.700 0.195 0.000 1.044 124 T CA 0.874 63.069 62.100 0.159 0.000 1.139 124 T CB -0.352 68.658 68.868 0.236 0.000 0.867 124 T HN 0.144 nan 8.240 nan 0.000 0.454 125 V N 2.282 122.332 119.914 0.226 0.000 2.287 125 V HA -0.137 3.983 4.120 0.000 0.000 0.248 125 V C 3.246 179.415 176.094 0.125 0.000 1.053 125 V CA 1.785 64.213 62.300 0.213 0.000 1.027 125 V CB -1.448 30.462 31.823 0.144 0.000 0.646 125 V HN 0.703 nan 8.190 nan 0.000 0.447 126 A N -0.763 122.102 122.820 0.074 0.000 1.933 126 A HA -0.223 4.097 4.320 0.000 0.000 0.218 126 A C 2.214 179.794 177.584 -0.007 0.000 1.175 126 A CA 2.163 54.218 52.037 0.030 0.000 0.628 126 A CB -0.464 18.545 19.000 0.015 0.000 0.814 126 A HN 0.518 nan 8.150 nan 0.000 0.444 127 M N -2.143 117.435 119.600 -0.037 0.000 2.175 127 M HA -0.044 4.436 4.480 0.000 0.000 0.264 127 M C 1.797 177.937 176.300 -0.266 0.000 1.063 127 M CA 1.477 56.678 55.300 -0.165 0.000 1.119 127 M CB -0.334 32.127 32.600 -0.232 0.000 1.377 127 M HN 0.442 nan 8.290 nan 0.000 0.415 128 F N -0.292 119.535 119.950 -0.205 0.000 2.416 128 F HA -0.010 4.517 4.527 0.000 0.000 0.296 128 F C 2.568 178.317 175.800 -0.085 0.000 1.099 128 F CA 0.689 58.563 58.000 -0.210 0.000 1.427 128 F CB -0.385 38.374 39.000 -0.402 0.000 1.079 128 F HN 0.025 nan 8.300 nan 0.000 0.536 129 S N 0.676 116.443 115.700 0.112 0.000 2.380 129 S HA -0.187 4.283 4.470 0.000 0.000 0.229 129 S C -0.466 174.161 174.600 0.045 0.000 1.043 129 S CA 1.777 60.022 58.200 0.075 0.000 1.038 129 S CB -1.269 61.958 63.200 0.045 0.000 0.872 129 S HN 0.246 nan 8.310 nan 0.000 0.456 130 P HA 0.013 nan 4.420 nan 0.000 0.221 130 P C 1.007 178.306 177.300 -0.002 0.000 1.150 130 P CA 0.798 63.893 63.100 -0.008 0.000 0.800 130 P CB -0.047 31.629 31.700 -0.040 0.000 0.787 131 V N -5.048 114.869 119.914 0.004 0.000 3.214 131 V HA 0.322 4.442 4.120 0.000 0.000 0.330 131 V C 0.246 176.391 176.094 0.085 0.000 1.403 131 V CA 0.117 62.430 62.300 0.021 0.000 1.143 131 V CB -0.748 31.059 31.823 -0.027 0.000 1.098 131 V HN 0.059 nan 8.190 nan 0.000 0.463 132 T N -3.689 110.932 114.554 0.111 0.000 2.901 132 T HA 0.465 4.815 4.350 0.000 0.000 0.293 132 T C 0.331 175.104 174.700 0.123 0.000 1.084 132 T CA -0.273 61.913 62.100 0.144 0.000 1.008 132 T CB 2.705 71.698 68.868 0.208 0.000 1.170 132 T HN 0.064 nan 8.240 nan 0.000 0.509 133 K N -0.616 119.867 120.400 0.137 0.000 2.262 133 K HA 0.166 4.486 4.320 0.000 0.000 0.200 133 K C -0.667 176.063 176.600 0.217 0.000 1.049 133 K CA 0.060 56.429 56.287 0.138 0.000 0.979 133 K CB 0.245 32.811 32.500 0.110 0.000 0.773 133 K HN 0.625 nan 8.250 nan 0.000 0.474 134 Y N -0.205 120.130 120.300 0.059 0.000 2.358 134 Y HA 0.461 5.011 4.550 0.000 0.000 0.324 134 Y C -1.952 173.997 175.900 0.083 0.000 1.123 134 Y CA -0.967 57.165 58.100 0.053 0.000 1.067 134 Y CB 1.716 40.190 38.460 0.023 0.000 1.230 134 Y HN -0.029 nan 8.280 nan 0.000 0.429 135 A N 7.537 130.193 122.820 -0.273 0.000 2.381 135 A HA 0.854 5.174 4.320 0.000 0.000 0.299 135 A C -1.864 175.520 177.584 -0.334 0.000 1.049 135 A CA -0.633 51.319 52.037 -0.142 0.000 0.715 135 A CB 1.044 20.108 19.000 0.106 0.000 1.222 135 A HN 0.880 nan 8.150 nan 0.000 0.428 136 I N 0.755 121.134 120.570 -0.318 0.000 2.908 136 I HA 0.452 4.622 4.170 0.000 0.000 0.300 136 I C -1.375 174.634 176.117 -0.181 0.000 1.385 136 I CA -0.361 60.772 61.300 -0.278 0.000 1.004 136 I CB 2.158 39.894 38.000 -0.440 0.000 1.309 136 I HN 0.825 nan 8.210 nan 0.000 0.449 137 E N 4.948 125.089 120.200 -0.099 0.000 2.171 137 E HA 0.475 4.825 4.350 0.000 0.000 0.271 137 E C -1.508 175.055 176.600 -0.062 0.000 0.916 137 E CA -0.700 55.654 56.400 -0.076 0.000 0.774 137 E CB 2.033 31.724 29.700 -0.015 0.000 1.128 137 E HN 0.431 nan 8.360 nan 0.000 0.403 138 V N 4.683 124.557 119.914 -0.067 0.000 2.446 138 V HA 0.032 4.152 4.120 0.000 0.000 0.276 138 V C 1.265 177.344 176.094 -0.025 0.000 1.030 138 V CA 0.900 63.175 62.300 -0.043 0.000 1.033 138 V CB 0.676 32.469 31.823 -0.049 0.000 0.993 138 V HN 0.962 nan 8.190 nan 0.000 0.477 139 T N 1.350 115.895 114.554 -0.014 0.000 2.971 139 T HA 0.356 4.706 4.350 0.000 0.000 0.252 139 T C 0.603 175.302 174.700 -0.002 0.000 1.022 139 T CA 0.505 62.602 62.100 -0.006 0.000 0.980 139 T CB 0.467 69.335 68.868 -0.001 0.000 1.044 139 T HN 0.733 nan 8.240 nan 0.000 0.501 140 A N 2.456 125.274 122.820 -0.003 0.000 2.328 140 A HA 0.708 5.028 4.320 0.000 0.000 0.318 140 A C -1.815 175.766 177.584 -0.004 0.000 1.347 140 A CA -1.704 50.333 52.037 0.001 0.000 0.842 140 A CB 1.227 20.230 19.000 0.004 0.000 1.148 140 A HN 0.071 nan 8.150 nan 0.000 0.499 141 P HA -0.230 nan 4.420 nan 0.000 0.217 141 P C 0.939 178.234 177.300 -0.009 0.000 1.151 141 P CA 1.770 64.867 63.100 -0.005 0.000 0.849 141 P CB 0.188 31.892 31.700 0.007 0.000 0.787 142 D N -0.865 119.537 120.400 0.003 0.000 2.348 142 D HA -0.047 4.593 4.640 0.000 0.000 0.216 142 D C 1.026 177.325 176.300 -0.002 0.000 0.970 142 D CA 0.694 54.699 54.000 0.009 0.000 0.889 142 D CB -0.405 40.407 40.800 0.020 0.000 0.912 142 D HN 0.141 nan 8.370 nan 0.000 0.524 143 A N 0.200 123.015 122.820 -0.008 0.000 2.610 143 A HA 0.290 4.610 4.320 0.000 0.000 0.286 143 A C 1.497 179.068 177.584 -0.023 0.000 1.306 143 A CA -0.469 51.563 52.037 -0.008 0.000 0.942 143 A CB -0.199 18.803 19.000 0.004 0.000 1.112 143 A HN 0.132 nan 8.150 nan 0.000 0.527 144 L N 0.045 121.239 121.223 -0.048 0.000 1.988 144 L HA -0.039 4.301 4.340 0.000 0.000 0.207 144 L C 2.593 179.414 176.870 -0.083 0.000 1.071 144 L CA 2.637 57.433 54.840 -0.073 0.000 0.744 144 L CB -0.788 41.205 42.059 -0.111 0.000 0.893 144 L HN 0.391 nan 8.230 nan 0.000 0.433 145 A N -1.007 121.745 122.820 -0.113 0.000 1.933 145 A HA -0.263 4.057 4.320 0.000 0.000 0.218 145 A C 2.288 179.838 177.584 -0.058 0.000 1.175 145 A CA 1.740 53.709 52.037 -0.114 0.000 0.628 145 A CB -0.747 18.171 19.000 -0.136 0.000 0.814 145 A HN 0.638 nan 8.150 nan 0.000 0.444 146 E N -0.025 120.154 120.200 -0.035 0.000 2.038 146 E HA -0.172 4.178 4.350 0.000 0.000 0.195 146 E C 1.882 178.491 176.600 0.014 0.000 1.000 146 E CA 1.861 58.255 56.400 -0.009 0.000 0.803 146 E CB -0.191 29.510 29.700 0.002 0.000 0.750 146 E HN 0.315 nan 8.360 nan 0.000 0.448 147 V N 0.722 120.654 119.914 0.029 0.000 2.343 147 V HA -0.225 3.895 4.120 0.000 0.000 0.247 147 V C 2.521 178.671 176.094 0.093 0.000 1.051 147 V CA 1.441 63.792 62.300 0.085 0.000 1.036 147 V CB -0.229 31.632 31.823 0.064 0.000 0.654 147 V HN 0.218 nan 8.190 nan 0.000 0.451 148 V N -0.398 119.548 119.914 0.053 0.000 2.343 148 V HA -0.261 3.859 4.120 0.000 0.000 0.247 148 V C 2.668 178.865 176.094 0.173 0.000 1.051 148 V CA 2.358 64.721 62.300 0.105 0.000 1.036 148 V CB -0.701 31.152 31.823 0.049 0.000 0.654 148 V HN 0.619 nan 8.190 nan 0.000 0.451 149 S N 0.499 116.232 115.700 0.055 0.000 2.356 149 S HA -0.220 4.250 4.470 0.000 0.000 0.223 149 S C 1.904 176.524 174.600 0.033 0.000 1.032 149 S CA 1.875 60.089 58.200 0.023 0.000 1.005 149 S CB -0.455 62.724 63.200 -0.034 0.000 0.867 149 S HN 0.665 nan 8.310 nan 0.000 0.449 150 N N 1.684 120.366 118.700 -0.031 0.000 2.309 150 N HA 0.042 4.782 4.740 0.000 0.000 0.182 150 N C 1.817 177.085 175.510 -0.403 0.000 1.018 150 N CA 1.154 54.097 53.050 -0.178 0.000 0.876 150 N CB -0.768 37.618 38.487 -0.168 0.000 0.972 150 N HN 0.529 nan 8.380 nan 0.000 0.434 151 A N 0.348 123.021 122.820 -0.245 0.000 1.898 151 A HA -0.059 4.261 4.320 0.000 0.000 0.216 151 A C 1.960 179.431 177.584 -0.188 0.000 1.181 151 A CA 0.891 52.775 52.037 -0.255 0.000 0.620 151 A CB -0.768 18.258 19.000 0.043 0.000 0.819 151 A HN 0.145 nan 8.150 nan 0.000 0.442 152 F N -0.109 119.762 119.950 -0.131 0.000 2.146 152 F HA -0.086 4.441 4.527 0.000 0.000 0.298 152 F C 2.565 178.306 175.800 -0.098 0.000 1.096 152 F CA 1.697 59.646 58.000 -0.086 0.000 1.275 152 F CB -0.300 38.661 39.000 -0.065 0.000 1.008 152 F HN 0.093 nan 8.300 nan 0.000 0.480 153 R N -0.064 120.467 120.500 0.052 0.000 2.081 153 R HA -0.136 4.204 4.340 0.000 0.000 0.235 153 R C 2.407 178.665 176.300 -0.071 0.000 1.131 153 R CA 1.296 57.387 56.100 -0.015 0.000 0.960 153 R CB -0.829 29.442 30.300 -0.047 0.000 0.856 153 R HN 0.267 nan 8.270 nan 0.000 0.436 154 A N 0.894 123.608 122.820 -0.176 0.000 1.972 154 A HA -0.073 4.247 4.320 0.000 0.000 0.219 154 A C 2.253 179.793 177.584 -0.073 0.000 1.169 154 A CA 1.669 53.605 52.037 -0.169 0.000 0.635 154 A CB -0.442 18.338 19.000 -0.367 0.000 0.810 154 A HN 0.411 nan 8.150 nan 0.000 0.446 155 A N -0.383 122.388 122.820 -0.082 0.000 1.935 155 A HA 0.024 4.344 4.320 0.000 0.000 0.214 155 A C 1.838 179.410 177.584 -0.020 0.000 1.178 155 A CA 1.237 53.242 52.037 -0.052 0.000 0.640 155 A CB -0.215 18.712 19.000 -0.120 0.000 0.825 155 A HN 0.580 nan 8.150 nan 0.000 0.447 156 E N -0.363 119.835 120.200 -0.005 0.000 2.340 156 E HA 0.031 4.381 4.350 0.000 0.000 0.194 156 E C 0.556 177.165 176.600 0.016 0.000 0.996 156 E CA -0.004 56.408 56.400 0.020 0.000 0.869 156 E CB 0.119 29.853 29.700 0.056 0.000 0.835 156 E HN 0.661 nan 8.360 nan 0.000 0.493 157 Q N -0.073 119.731 119.800 0.008 0.000 2.249 157 Q HA 0.369 4.709 4.340 0.000 0.000 0.226 157 Q C 0.759 176.766 176.000 0.012 0.000 0.983 157 Q CA 0.045 55.853 55.803 0.008 0.000 0.930 157 Q CB 1.239 29.978 28.738 0.002 0.000 1.193 157 Q HN 0.193 nan 8.270 nan 0.000 0.508 158 G N 1.104 109.914 108.800 0.017 0.000 2.611 158 G HA2 -0.379 3.581 3.960 0.000 0.000 0.301 158 G HA3 -0.379 3.581 3.960 0.000 0.000 0.301 158 G C -0.308 174.608 174.900 0.026 0.000 1.233 158 G CA 0.386 45.502 45.100 0.026 0.000 0.993 158 G HN 0.621 nan 8.290 nan 0.000 0.553 159 R N 1.873 122.392 120.500 0.031 0.000 2.210 159 R HA 0.491 4.831 4.340 0.000 0.000 0.338 159 R C -2.190 174.125 176.300 0.025 0.000 1.062 159 R CA -1.438 54.679 56.100 0.028 0.000 0.902 159 R CB 0.684 31.003 30.300 0.031 0.000 1.050 159 R HN 0.297 nan 8.270 nan 0.000 0.461 160 P HA 0.076 nan 4.420 nan 0.000 0.267 160 P C -0.439 176.877 177.300 0.027 0.000 1.201 160 P CA 0.135 63.246 63.100 0.019 0.000 0.775 160 P CB 0.915 32.623 31.700 0.015 0.000 0.854 161 G N -0.265 108.552 108.800 0.029 0.000 2.489 161 G HA2 0.502 4.462 3.960 0.000 0.000 0.305 161 G HA3 0.502 4.462 3.960 0.000 0.000 0.305 161 G C -1.245 173.681 174.900 0.044 0.000 1.311 161 G CA -0.479 44.648 45.100 0.045 0.000 0.813 161 G HN 0.530 nan 8.290 nan 0.000 0.480 162 S N -1.131 114.611 115.700 0.070 0.000 2.617 162 S HA 0.855 5.325 4.470 0.000 0.000 0.283 162 S C -0.033 174.627 174.600 0.099 0.000 1.189 162 S CA 0.150 58.395 58.200 0.074 0.000 1.036 162 S CB 1.795 65.059 63.200 0.108 0.000 1.014 162 S HN 2.063 nan 8.310 nan 0.000 0.522 163 A N 1.577 124.444 122.820 0.078 0.000 2.393 163 A HA 0.751 5.071 4.320 0.000 0.000 0.306 163 A C -1.363 176.287 177.584 0.110 0.000 1.050 163 A CA -0.678 51.447 52.037 0.147 0.000 0.724 163 A CB 1.030 20.108 19.000 0.129 0.000 1.248 163 A HN 0.943 nan 8.150 nan 0.000 0.424 164 F N 2.732 122.639 119.950 -0.072 0.000 2.482 164 F HA 0.669 5.196 4.527 0.000 0.000 0.331 164 F C -1.065 174.613 175.800 -0.204 0.000 1.115 164 F CA -0.749 57.092 58.000 -0.264 0.000 0.955 164 F CB 1.972 40.631 39.000 -0.568 0.000 1.136 164 F HN 0.341 nan 8.300 nan 0.000 0.452 165 V N 5.091 124.374 119.914 -1.052 0.000 2.407 165 V HA 0.346 4.466 4.120 0.000 0.000 0.291 165 V C -0.325 175.131 176.094 -1.063 0.000 1.018 165 V CA -0.790 61.043 62.300 -0.779 0.000 0.842 165 V CB 1.376 32.996 31.823 -0.338 0.000 0.996 165 V HN 0.819 nan 8.190 nan 0.000 0.426 166 S N 5.940 121.170 115.700 -0.783 0.000 2.489 166 S HA 0.639 5.109 4.470 0.000 0.000 0.277 166 S C -0.520 173.947 174.600 -0.221 0.000 1.230 166 S CA -0.457 57.480 58.200 -0.438 0.000 1.053 166 S CB 0.166 63.315 63.200 -0.085 0.000 0.955 166 S HN 0.578 nan 8.310 nan 0.000 0.488 167 L N 7.148 128.278 121.223 -0.155 0.000 2.313 167 L HA 0.403 4.743 4.340 0.000 0.000 0.273 167 L C -2.361 174.488 176.870 -0.035 0.000 1.028 167 L CA -2.207 52.579 54.840 -0.090 0.000 0.871 167 L CB 1.354 43.360 42.059 -0.089 0.000 1.242 167 L HN 0.444 nan 8.230 nan 0.000 0.434 168 P HA -0.063 nan 4.420 nan 0.000 0.264 168 P C 0.479 177.782 177.300 0.004 0.000 1.183 168 P CA 0.140 63.240 63.100 -0.000 0.000 0.763 168 P CB 0.714 32.414 31.700 0.000 0.000 0.807 169 Q N 3.289 123.097 119.800 0.013 0.000 2.112 169 Q HA -0.289 4.051 4.340 0.000 0.000 0.206 169 Q C 1.352 177.364 176.000 0.021 0.000 0.987 169 Q CA 2.248 58.061 55.803 0.017 0.000 0.858 169 Q CB -0.244 28.505 28.738 0.019 0.000 0.905 169 Q HN 0.540 nan 8.270 nan 0.000 0.420 170 D N -0.670 119.743 120.400 0.021 0.000 2.178 170 D HA -0.138 4.502 4.640 0.000 0.000 0.201 170 D C 1.861 178.179 176.300 0.031 0.000 0.980 170 D CA 1.183 55.200 54.000 0.027 0.000 0.842 170 D CB -0.462 40.351 40.800 0.022 0.000 0.948 170 D HN 0.261 nan 8.370 nan 0.000 0.472 171 V N 1.347 121.272 119.914 0.018 0.000 2.358 171 V HA -0.208 3.912 4.120 0.000 0.000 0.246 171 V C 2.913 179.018 176.094 0.018 0.000 1.047 171 V CA 1.743 64.050 62.300 0.012 0.000 1.035 171 V CB -0.368 31.451 31.823 -0.006 0.000 0.658 171 V HN 0.311 nan 8.190 nan 0.000 0.452 172 V N -2.029 117.894 119.914 0.016 0.000 2.719 172 V HA -0.063 4.057 4.120 0.000 0.000 0.252 172 V C 1.893 178.026 176.094 0.066 0.000 1.065 172 V CA 1.803 64.115 62.300 0.020 0.000 1.086 172 V CB -0.703 31.121 31.823 0.000 0.000 0.700 172 V HN 0.406 nan 8.190 nan 0.000 0.467 173 D N 1.560 122.003 120.400 0.072 0.000 2.183 173 D HA 0.168 4.808 4.640 0.000 0.000 0.205 173 D C 1.458 177.911 176.300 0.255 0.000 0.962 173 D CA 1.294 55.369 54.000 0.124 0.000 0.849 173 D CB -0.381 40.460 40.800 0.068 0.000 0.978 173 D HN 0.606 nan 8.370 nan 0.000 0.488 174 G N 1.071 109.956 108.800 0.141 0.000 2.599 174 G HA2 0.369 4.329 3.960 0.000 0.000 0.264 174 G HA3 0.369 4.329 3.960 0.000 0.000 0.264 174 G C -2.396 172.554 174.900 0.084 0.000 1.200 174 G CA -0.888 44.276 45.100 0.106 0.000 0.896 174 G HN -0.035 nan 8.290 nan 0.000 0.536 175 P HA 0.379 nan 4.420 nan 0.000 0.276 175 P C -0.354 176.985 177.300 0.064 0.000 1.244 175 P CA -0.181 62.938 63.100 0.031 0.000 0.801 175 P CB 1.631 33.328 31.700 -0.005 0.000 1.006 176 V N -2.355 117.628 119.914 0.115 0.000 3.188 176 V HA 0.797 4.917 4.120 0.000 0.000 0.305 176 V C -0.823 175.400 176.094 0.216 0.000 1.232 176 V CA -1.093 61.276 62.300 0.115 0.000 1.043 176 V CB 1.636 33.492 31.823 0.056 0.000 1.068 176 V HN 0.703 nan 8.190 nan 0.000 0.439 177 S N 0.384 116.191 115.700 0.177 0.000 2.659 177 S HA 1.000 5.470 4.470 0.000 0.000 0.312 177 S C -0.147 174.576 174.600 0.205 0.000 1.114 177 S CA 0.140 58.468 58.200 0.213 0.000 1.063 177 S CB 0.854 64.117 63.200 0.104 0.000 0.996 177 S HN 2.406 nan 8.310 nan 0.000 0.478 178 G N 2.025 111.023 108.800 0.331 0.000 2.488 178 G HA2 0.632 4.592 3.960 0.000 0.000 0.301 178 G HA3 0.632 4.592 3.960 0.000 0.000 0.301 178 G C -1.969 173.157 174.900 0.377 0.000 1.339 178 G CA -1.021 44.213 45.100 0.225 0.000 0.803 178 G HN 0.926 nan 8.290 nan 0.000 0.482 179 K N -1.309 119.220 120.400 0.216 0.000 2.444 179 K HA 0.793 5.113 4.320 0.000 0.000 0.252 179 K C -1.132 175.540 176.600 0.121 0.000 0.993 179 K CA -0.922 55.508 56.287 0.239 0.000 0.847 179 K CB 2.384 34.967 32.500 0.138 0.000 1.340 179 K HN 0.323 nan 8.250 nan 0.000 0.446 180 V N 2.662 122.658 119.914 0.136 0.000 2.488 180 V HA 0.143 4.263 4.120 0.000 0.000 0.277 180 V C -0.058 176.039 176.094 0.004 0.000 1.046 180 V CA -0.534 61.784 62.300 0.030 0.000 0.986 180 V CB 0.493 32.350 31.823 0.056 0.000 0.989 180 V HN 0.515 nan 8.190 nan 0.000 0.475 181 L N 7.944 129.146 121.223 -0.035 0.000 2.278 181 L HA 0.370 4.710 4.340 0.000 0.000 0.287 181 L C -2.220 174.618 176.870 -0.053 0.000 1.072 181 L CA -1.695 53.124 54.840 -0.035 0.000 0.819 181 L CB 0.845 42.880 42.059 -0.041 0.000 1.176 181 L HN 0.417 nan 8.230 nan 0.000 0.435 182 P HA 0.049 nan 4.420 nan 0.000 0.267 182 P C -0.086 177.177 177.300 -0.061 0.000 1.200 182 P CA -0.063 63.009 63.100 -0.048 0.000 0.772 182 P CB 0.728 32.411 31.700 -0.029 0.000 0.855 188 Q N 1.530 121.331 119.800 0.001 0.000 2.903 188 Q HA 0.466 4.806 4.340 0.000 0.000 0.243 188 Q C 0.152 176.155 176.000 0.004 0.000 1.366 188 Q CA 0.576 56.380 55.803 0.002 0.000 0.898 188 Q CB -1.250 27.489 28.738 0.001 0.000 1.718 188 Q HN 0.475 nan 8.270 nan 0.000 0.557 189 M N 1.578 121.181 119.600 0.005 0.000 2.238 189 M HA 0.667 5.147 4.480 0.000 0.000 0.350 189 M C 0.454 176.759 176.300 0.007 0.000 1.138 189 M CA -0.482 54.823 55.300 0.008 0.000 1.040 189 M CB 1.652 34.258 32.600 0.010 0.000 1.639 189 M HN 0.533 nan 8.290 nan 0.000 0.451 190 G N 2.543 111.348 108.800 0.008 0.000 2.504 190 G HA2 0.631 4.591 3.960 0.000 0.000 0.288 190 G HA3 0.631 4.591 3.960 0.000 0.000 0.288 190 G C -0.340 174.565 174.900 0.009 0.000 1.182 190 G CA -0.504 44.600 45.100 0.008 0.000 0.894 190 G HN 1.007 nan 8.290 nan 0.000 0.521 191 A N 0.015 122.840 122.820 0.008 0.000 2.407 191 A HA 0.593 4.913 4.320 0.000 0.000 0.257 191 A C 1.270 178.862 177.584 0.013 0.000 1.131 191 A CA 0.546 52.588 52.037 0.008 0.000 0.803 191 A CB -0.419 18.585 19.000 0.007 0.000 1.083 191 A HN 1.877 nan 8.150 nan 0.000 0.512 192 A N -0.058 122.772 122.820 0.016 0.000 2.366 192 A HA 0.531 4.851 4.320 0.000 0.000 0.250 192 A C -2.220 175.376 177.584 0.021 0.000 1.099 192 A CA -0.945 51.105 52.037 0.022 0.000 0.794 192 A CB -1.026 17.989 19.000 0.026 0.000 1.056 192 A HN 0.618 nan 8.150 nan 0.000 0.499 193 P HA 0.048 nan 4.420 nan 0.000 0.265 193 P C -0.034 177.278 177.300 0.021 0.000 1.193 193 P CA -0.023 63.090 63.100 0.021 0.000 0.765 193 P CB 0.446 32.159 31.700 0.022 0.000 0.823 194 D N 1.781 122.192 120.400 0.018 0.000 2.182 194 D HA -0.172 4.468 4.640 0.000 0.000 0.201 194 D C 0.972 177.283 176.300 0.019 0.000 0.986 194 D CA 1.361 55.372 54.000 0.018 0.000 0.847 194 D CB -0.064 40.744 40.800 0.014 0.000 0.942 194 D HN 0.472 nan 8.370 nan 0.000 0.467 195 D N 0.522 120.933 120.400 0.018 0.000 2.149 195 D HA -0.056 4.584 4.640 0.000 0.000 0.201 195 D C 2.050 178.362 176.300 0.021 0.000 0.972 195 D CA 0.726 54.737 54.000 0.018 0.000 0.835 195 D CB 0.078 40.887 40.800 0.016 0.000 0.966 195 D HN 0.114 nan 8.370 nan 0.000 0.476 196 A N 0.904 123.739 122.820 0.024 0.000 1.929 196 A HA -0.066 4.254 4.320 0.000 0.000 0.216 196 A C 2.334 179.938 177.584 0.033 0.000 1.176 196 A CA 0.522 52.577 52.037 0.029 0.000 0.628 196 A CB -0.523 18.497 19.000 0.033 0.000 0.816 196 A HN 0.126 nan 8.150 nan 0.000 0.444 197 I N 0.058 120.647 120.570 0.032 0.000 2.179 197 I HA -0.252 3.918 4.170 0.000 0.000 0.242 197 I C 1.843 177.982 176.117 0.036 0.000 1.088 197 I CA 1.560 62.882 61.300 0.036 0.000 1.357 197 I CB -0.518 37.501 38.000 0.032 0.000 1.051 197 I HN 0.270 nan 8.210 nan 0.000 0.409 198 D N 0.364 120.782 120.400 0.030 0.000 2.149 198 D HA -0.252 4.388 4.640 0.000 0.000 0.198 198 D C 2.043 178.360 176.300 0.028 0.000 0.990 198 D CA 1.216 55.232 54.000 0.027 0.000 0.839 198 D CB -0.299 40.513 40.800 0.021 0.000 0.948 198 D HN 0.458 nan 8.370 nan 0.000 0.460 199 Q N 0.698 120.515 119.800 0.028 0.000 2.061 199 Q HA -0.141 4.199 4.340 0.000 0.000 0.204 199 Q C 2.167 178.186 176.000 0.032 0.000 0.984 199 Q CA 1.304 57.123 55.803 0.027 0.000 0.846 199 Q CB 0.114 28.868 28.738 0.025 0.000 0.902 199 Q HN 0.089 nan 8.270 nan 0.000 0.421 200 V N 1.088 121.026 119.914 0.040 0.000 2.358 200 V HA -0.242 3.878 4.120 0.000 0.000 0.246 200 V C 2.415 178.539 176.094 0.051 0.000 1.047 200 V CA 1.660 63.989 62.300 0.048 0.000 1.035 200 V CB -1.094 30.766 31.823 0.062 0.000 0.658 200 V HN 0.522 nan 8.190 nan 0.000 0.452 201 A N -0.207 122.645 122.820 0.052 0.000 1.978 201 A HA -0.246 4.074 4.320 0.000 0.000 0.220 201 A C 2.289 179.902 177.584 0.048 0.000 1.170 201 A CA 1.971 54.042 52.037 0.057 0.000 0.636 201 A CB -0.390 18.641 19.000 0.051 0.000 0.810 201 A HN 0.574 nan 8.150 nan 0.000 0.448 202 K N -0.575 119.847 120.400 0.037 0.000 2.167 202 K HA 0.127 4.447 4.320 0.000 0.000 0.203 202 K C 1.736 178.355 176.600 0.030 0.000 1.052 202 K CA 0.869 57.175 56.287 0.030 0.000 0.956 202 K CB -0.243 32.270 32.500 0.022 0.000 0.735 202 K HN 0.448 nan 8.250 nan 0.000 0.451 203 L N 0.827 122.067 121.223 0.029 0.000 2.093 203 L HA -0.146 4.194 4.340 0.000 0.000 0.208 203 L C 2.270 179.152 176.870 0.019 0.000 1.085 203 L CA 1.050 55.903 54.840 0.022 0.000 0.755 203 L CB -0.331 41.740 42.059 0.020 0.000 0.904 203 L HN 0.161 nan 8.230 nan 0.000 0.435 204 I N -0.019 120.567 120.570 0.027 0.000 2.202 204 I HA -0.260 3.910 4.170 0.000 0.000 0.242 204 I C 2.720 178.867 176.117 0.050 0.000 1.091 204 I CA 1.150 62.463 61.300 0.022 0.000 1.368 204 I CB -0.415 37.611 38.000 0.043 0.000 1.058 204 I HN 0.189 nan 8.210 nan 0.000 0.410 205 A N -0.255 122.610 122.820 0.076 0.000 2.125 205 A HA -0.254 4.066 4.320 0.000 0.000 0.219 205 A C 2.277 179.918 177.584 0.096 0.000 1.156 205 A CA 1.654 53.762 52.037 0.118 0.000 0.671 205 A CB -0.509 18.537 19.000 0.077 0.000 0.794 205 A HN 0.588 nan 8.150 nan 0.000 0.459 206 Q N -0.832 119.000 119.800 0.053 0.000 2.392 206 Q HA 0.340 4.680 4.340 0.000 0.000 0.219 206 Q C 0.794 176.808 176.000 0.024 0.000 0.895 206 Q CA 0.463 56.288 55.803 0.037 0.000 0.929 206 Q CB 0.020 28.773 28.738 0.024 0.000 1.077 206 Q HN 0.534 nan 8.270 nan 0.000 0.532 207 A N 0.704 123.531 122.820 0.013 0.000 2.440 207 A HA 0.420 4.740 4.320 0.000 0.000 0.251 207 A C 0.775 178.353 177.584 -0.011 0.000 1.089 207 A CA 0.621 52.654 52.037 -0.006 0.000 0.779 207 A CB 0.663 19.646 19.000 -0.028 0.000 1.022 207 A HN 0.425 nan 8.150 nan 0.000 0.492 208 K N 1.383 121.775 120.400 -0.013 0.000 2.308 208 K HA 0.137 4.457 4.320 0.000 0.000 0.197 208 K C 0.467 177.051 176.600 -0.027 0.000 1.049 208 K CA 1.343 57.621 56.287 -0.016 0.000 0.991 208 K CB -0.250 32.246 32.500 -0.008 0.000 0.836 208 K HN 0.841 nan 8.250 nan 0.000 0.500 209 N N 1.086 119.768 118.700 -0.030 0.000 2.703 209 N HA 0.176 4.916 4.740 0.000 0.000 0.283 209 N C -3.092 172.385 175.510 -0.056 0.000 1.851 209 N CA -1.396 51.632 53.050 -0.036 0.000 0.826 209 N CB 2.329 40.803 38.487 -0.022 0.000 1.239 209 N HN 0.265 nan 8.380 nan 0.000 0.495 210 P HA 0.361 nan 4.420 nan 0.000 0.279 210 P C -0.636 176.548 177.300 -0.194 0.000 1.252 210 P CA -0.381 62.629 63.100 -0.150 0.000 0.811 210 P CB 2.080 33.667 31.700 -0.188 0.000 1.035 211 I N 0.279 120.689 120.570 -0.267 0.000 2.787 211 I HA 0.396 4.566 4.170 0.000 0.000 0.294 211 I C -1.588 174.346 176.117 -0.306 0.000 1.365 211 I CA -1.135 60.016 61.300 -0.248 0.000 1.029 211 I CB 1.562 39.490 38.000 -0.121 0.000 1.313 211 I HN 0.116 nan 8.210 nan 0.000 0.431 212 F N 6.887 126.806 119.950 -0.051 0.000 2.408 212 F HA 0.510 5.037 4.527 -0.000 0.000 0.344 212 F C -0.406 175.307 175.800 -0.145 0.000 1.112 212 F CA -0.775 57.176 58.000 -0.080 0.000 1.096 212 F CB 1.743 40.704 39.000 -0.066 0.000 1.129 212 F HN 0.235 nan 8.300 nan 0.000 0.486 213 L N 5.856 127.078 121.223 -0.001 0.000 2.294 213 L HA 0.507 4.847 4.340 0.000 0.000 0.283 213 L C -1.172 175.629 176.870 -0.114 0.000 1.015 213 L CA -0.450 54.263 54.840 -0.212 0.000 0.831 213 L CB 0.654 42.376 42.059 -0.562 0.000 1.217 213 L HN 0.459 nan 8.230 nan 0.000 0.420 214 L N 5.111 126.293 121.223 -0.068 0.000 2.312 214 L HA 0.769 5.109 4.340 0.000 0.000 0.281 214 L C 0.814 177.711 176.870 0.044 0.000 1.070 214 L CA -0.316 54.517 54.840 -0.013 0.000 0.805 214 L CB 1.128 43.173 42.059 -0.022 0.000 1.174 214 L HN 0.766 nan 8.230 nan 0.000 0.434 215 G N 0.906 109.775 108.800 0.115 0.000 3.108 215 G HA2 0.401 4.361 3.960 0.000 0.000 0.268 215 G HA3 0.401 4.361 3.960 0.000 0.000 0.268 215 G C 0.287 175.240 174.900 0.088 0.000 1.361 215 G CA -0.726 44.484 45.100 0.183 0.000 1.047 215 G HN 0.507 nan 8.290 nan 0.000 0.540 216 L N -0.111 121.157 121.223 0.075 0.000 1.976 216 L HA -0.179 4.161 4.340 0.000 0.000 0.223 216 L C 2.692 179.574 176.870 0.020 0.000 1.081 216 L CA 2.392 57.255 54.840 0.037 0.000 0.784 216 L CB -0.405 41.671 42.059 0.028 0.000 0.896 216 L HN 0.387 nan 8.230 nan 0.000 0.438 217 M N -0.623 118.991 119.600 0.024 0.000 2.346 217 M HA -0.115 4.365 4.480 0.000 0.000 0.263 217 M C 2.271 178.565 176.300 -0.009 0.000 1.064 217 M CA 1.538 56.843 55.300 0.008 0.000 1.083 217 M CB -1.995 30.612 32.600 0.012 0.000 1.399 217 M HN 0.531 nan 8.290 nan 0.000 0.435 218 A N 0.002 122.817 122.820 -0.009 0.000 2.066 218 A HA -0.040 4.280 4.320 0.000 0.000 0.218 218 A C 2.266 179.821 177.584 -0.048 0.000 1.157 218 A CA 1.602 53.616 52.037 -0.040 0.000 0.670 218 A CB -0.598 18.376 19.000 -0.044 0.000 0.804 218 A HN 0.588 nan 8.150 nan 0.000 0.453 219 S N -0.744 114.936 115.700 -0.033 0.000 2.575 219 S HA 0.078 4.548 4.470 0.000 0.000 0.215 219 S C 0.515 175.092 174.600 -0.039 0.000 0.966 219 S CA -0.372 57.804 58.200 -0.040 0.000 0.911 219 S CB -0.135 63.045 63.200 -0.032 0.000 0.780 219 S HN 0.453 nan 8.310 nan 0.000 0.514 220 Q N 2.639 122.421 119.800 -0.031 0.000 2.330 220 Q HA 0.180 4.520 4.340 0.000 0.000 0.279 220 Q C -1.499 174.482 176.000 -0.032 0.000 1.024 220 Q CA -1.852 53.935 55.803 -0.027 0.000 0.900 220 Q CB 0.231 28.959 28.738 -0.018 0.000 1.221 220 Q HN 0.227 nan 8.270 nan 0.000 0.396 221 P HA -0.231 nan 4.420 nan 0.000 0.217 221 P C 0.829 178.113 177.300 -0.027 0.000 1.148 221 P CA 1.481 64.564 63.100 -0.028 0.000 0.828 221 P CB 0.239 31.925 31.700 -0.022 0.000 0.783 222 E N -0.359 119.828 120.200 -0.022 0.000 2.409 222 E HA -0.124 4.226 4.350 0.000 0.000 0.198 222 E C 0.869 177.452 176.600 -0.029 0.000 1.024 222 E CA 0.785 57.172 56.400 -0.021 0.000 0.861 222 E CB -0.711 28.981 29.700 -0.014 0.000 0.788 222 E HN 0.257 nan 8.360 nan 0.000 0.521 223 N N 0.599 119.277 118.700 -0.037 0.000 2.205 223 N HA 0.008 4.748 4.740 0.000 0.000 0.201 223 N C 1.372 176.844 175.510 -0.063 0.000 1.128 223 N CA 0.382 53.402 53.050 -0.049 0.000 0.867 223 N CB 0.600 39.055 38.487 -0.053 0.000 0.996 223 N HN 0.088 nan 8.380 nan 0.000 0.503 224 S N 1.563 117.229 115.700 -0.057 0.000 2.365 224 S HA -0.236 4.234 4.470 0.000 0.000 0.225 224 S C 2.286 176.846 174.600 -0.067 0.000 1.039 224 S CA 2.337 60.498 58.200 -0.065 0.000 1.033 224 S CB -0.014 63.154 63.200 -0.052 0.000 0.887 224 S HN 0.505 nan 8.310 nan 0.000 0.447 225 K N 0.897 121.266 120.400 -0.051 0.000 2.026 225 K HA 0.233 4.553 4.320 0.000 0.000 0.208 225 K C 2.395 178.962 176.600 -0.054 0.000 1.048 225 K CA 1.737 57.997 56.287 -0.045 0.000 0.929 225 K CB -1.647 30.835 32.500 -0.031 0.000 0.713 225 K HN 0.645 nan 8.250 nan 0.000 0.439 226 A N 0.502 123.287 122.820 -0.058 0.000 1.933 226 A HA 0.064 4.384 4.320 0.000 0.000 0.218 226 A C 2.396 179.918 177.584 -0.103 0.000 1.175 226 A CA 1.741 53.738 52.037 -0.066 0.000 0.628 226 A CB -0.406 18.558 19.000 -0.060 0.000 0.814 226 A HN 0.547 nan 8.150 nan 0.000 0.444 227 L N -0.228 120.918 121.223 -0.129 0.000 2.027 227 L HA -0.070 4.270 4.340 0.000 0.000 0.206 227 L C 2.411 179.160 176.870 -0.201 0.000 1.074 227 L CA 2.340 57.062 54.840 -0.197 0.000 0.745 227 L CB -0.683 41.261 42.059 -0.192 0.000 0.898 227 L HN 0.451 nan 8.230 nan 0.000 0.433 228 R N -0.614 119.801 120.500 -0.143 0.000 2.091 228 R HA -0.219 4.121 4.340 0.000 0.000 0.238 228 R C 2.599 178.852 176.300 -0.077 0.000 1.136 228 R CA 1.850 57.880 56.100 -0.117 0.000 0.959 228 R CB -0.312 29.945 30.300 -0.070 0.000 0.856 228 R HN 0.377 nan 8.270 nan 0.000 0.437 229 R N 0.259 120.725 120.500 -0.058 0.000 2.081 229 R HA -0.153 4.187 4.340 0.000 0.000 0.235 229 R C 2.258 178.550 176.300 -0.014 0.000 1.131 229 R CA 1.492 57.579 56.100 -0.021 0.000 0.960 229 R CB -0.312 29.978 30.300 -0.018 0.000 0.856 229 R HN 0.263 nan 8.270 nan 0.000 0.436 230 L N 1.014 122.197 121.223 -0.067 0.000 2.093 230 L HA -0.075 4.265 4.340 0.000 0.000 0.208 230 L C 1.937 178.790 176.870 -0.029 0.000 1.085 230 L CA 1.526 56.329 54.840 -0.062 0.000 0.755 230 L CB -0.266 41.689 42.059 -0.174 0.000 0.904 230 L HN 0.221 nan 8.230 nan 0.000 0.435 231 L N -0.700 120.443 121.223 -0.133 0.000 2.056 231 L HA -0.178 4.162 4.340 0.000 0.000 0.207 231 L C 2.551 179.527 176.870 0.176 0.000 1.078 231 L CA 1.628 56.392 54.840 -0.127 0.000 0.749 231 L CB -0.583 41.138 42.059 -0.563 0.000 0.901 231 L HN 0.413 nan 8.230 nan 0.000 0.433 232 E N -0.263 120.034 120.200 0.161 0.000 2.106 232 E HA -0.178 4.172 4.350 0.000 0.000 0.192 232 E C 1.894 178.692 176.600 0.331 0.000 0.984 232 E CA 1.588 58.172 56.400 0.307 0.000 0.806 232 E CB 0.185 29.990 29.700 0.175 0.000 0.750 232 E HN 0.376 nan 8.360 nan 0.000 0.458 233 T N -0.289 114.387 114.554 0.204 0.000 2.896 233 T HA -0.108 4.242 4.350 0.000 0.000 0.263 233 T C 2.032 176.842 174.700 0.184 0.000 1.050 233 T CA 1.333 63.524 62.100 0.152 0.000 1.140 233 T CB -0.084 68.848 68.868 0.106 0.000 0.877 233 T HN 0.271 nan 8.240 nan 0.000 0.457 234 S N -0.044 115.810 115.700 0.257 0.000 2.427 234 S HA -0.003 4.467 4.470 0.000 0.000 0.224 234 S C 0.773 175.584 174.600 0.352 0.000 1.047 234 S CA 0.598 58.959 58.200 0.268 0.000 0.953 234 S CB -0.336 63.059 63.200 0.325 0.000 0.824 234 S HN 0.470 nan 8.310 nan 0.000 0.502 235 H N 0.494 119.731 119.070 0.277 0.000 2.862 235 H HA -0.060 4.496 4.556 0.000 0.000 0.290 235 H C -0.625 174.870 175.328 0.279 0.000 1.211 235 H CA 0.677 56.908 56.048 0.305 0.000 1.140 235 H CB -2.309 27.524 29.762 0.118 0.000 1.341 235 H HN 0.542 nan 8.280 nan 0.000 0.392 236 I N 0.932 121.755 120.570 0.421 0.000 2.428 236 I HA 0.191 4.361 4.170 0.000 0.000 0.289 236 I C -1.619 174.716 176.117 0.363 0.000 1.019 236 I CA -1.786 59.653 61.300 0.232 0.000 1.351 236 I CB 1.078 39.072 38.000 -0.010 0.000 1.412 236 I HN -0.067 nan 8.210 nan 0.000 0.513 237 P HA 0.046 nan 4.420 nan 0.000 0.267 237 P C -1.104 176.363 177.300 0.277 0.000 1.201 237 P CA 0.052 63.289 63.100 0.228 0.000 0.775 237 P CB 0.557 32.288 31.700 0.050 0.000 0.854 238 V N 1.081 121.171 119.914 0.292 0.000 2.760 238 V HA 0.595 4.715 4.120 0.000 0.000 0.309 238 V C -0.124 175.961 176.094 -0.015 0.000 1.077 238 V CA -0.380 62.038 62.300 0.197 0.000 0.910 238 V CB 2.221 34.175 31.823 0.218 0.000 1.008 238 V HN 0.521 nan 8.190 nan 0.000 0.424 239 T N 2.433 116.932 114.554 -0.092 0.000 2.900 239 T HA 0.743 5.093 4.350 0.000 0.000 0.295 239 T C -0.785 173.825 174.700 -0.150 0.000 1.044 239 T CA -0.222 61.728 62.100 -0.249 0.000 0.995 239 T CB 1.748 70.455 68.868 -0.268 0.000 1.072 239 T HN 0.772 nan 8.240 nan 0.000 0.473 240 S N 1.577 117.189 115.700 -0.148 0.000 2.570 240 S HA 0.687 5.157 4.470 0.000 0.000 0.286 240 S C -0.018 174.457 174.600 -0.209 0.000 1.099 240 S CA -0.964 57.176 58.200 -0.101 0.000 0.913 240 S CB 1.763 64.978 63.200 0.024 0.000 1.085 240 S HN 1.006 nan 8.310 nan 0.000 0.480 241 T N -0.610 113.868 114.554 -0.127 0.000 2.816 241 T HA 0.353 4.703 4.350 0.000 0.000 0.282 241 T C 0.513 175.115 174.700 -0.162 0.000 0.993 241 T CA -0.296 61.733 62.100 -0.119 0.000 0.994 241 T CB 0.021 68.956 68.868 0.112 0.000 1.025 241 T HN 0.501 nan 8.240 nan 0.000 0.529 242 Y N 0.106 120.411 120.300 0.008 0.000 2.421 242 Y HA -0.025 4.525 4.550 0.000 0.000 0.292 242 Y C 2.889 178.805 175.900 0.027 0.000 1.136 242 Y CA 0.941 59.056 58.100 0.025 0.000 1.255 242 Y CB -0.396 38.080 38.460 0.026 0.000 0.991 242 Y HN 0.665 nan 8.280 nan 0.000 0.552 243 Q N -0.787 119.095 119.800 0.137 0.000 2.515 243 Q HA 0.070 4.410 4.340 0.000 0.000 0.212 243 Q C 1.142 177.167 176.000 0.041 0.000 0.970 243 Q CA 0.663 56.516 55.803 0.084 0.000 0.941 243 Q CB 0.143 28.927 28.738 0.076 0.000 0.998 243 Q HN 0.433 nan 8.270 nan 0.000 0.518 244 A N -0.863 121.973 122.820 0.027 0.000 2.630 244 A HA 0.508 4.828 4.320 0.000 0.000 0.287 244 A C 1.442 179.020 177.584 -0.009 0.000 1.040 244 A CA 0.337 52.375 52.037 0.002 0.000 0.971 244 A CB 0.227 19.231 19.000 0.007 0.000 1.241 244 A HN 0.237 nan 8.150 nan 0.000 0.558 245 A N 0.026 122.846 122.820 -0.001 0.000 1.948 245 A HA 0.023 4.343 4.320 0.000 0.000 0.220 245 A C 2.049 179.627 177.584 -0.011 0.000 1.177 245 A CA 2.165 54.204 52.037 0.003 0.000 0.636 245 A CB -0.723 18.330 19.000 0.088 0.000 0.815 245 A HN 1.019 nan 8.150 nan 0.000 0.449 246 G N -1.771 107.013 108.800 -0.027 0.000 2.880 246 G HA2 0.294 4.254 3.960 0.000 0.000 0.209 246 G HA3 0.294 4.254 3.960 0.000 0.000 0.209 246 G C 1.390 176.247 174.900 -0.072 0.000 1.157 246 G CA 0.946 46.015 45.100 -0.052 0.000 0.779 246 G HN 0.715 nan 8.290 nan 0.000 0.539 247 A N -0.363 122.417 122.820 -0.067 0.000 1.930 247 A HA 0.412 4.732 4.320 0.000 0.000 0.217 247 A C 0.791 178.303 177.584 -0.120 0.000 1.175 247 A CA 1.101 53.089 52.037 -0.082 0.000 0.627 247 A CB 0.111 19.070 19.000 -0.068 0.000 0.815 247 A HN 0.302 nan 8.150 nan 0.000 0.443 248 V N -0.720 119.100 119.914 -0.157 0.000 3.087 248 V HA 0.496 4.616 4.120 0.000 0.000 0.306 248 V C -1.126 174.616 176.094 -0.587 0.000 1.187 248 V CA -0.948 61.192 62.300 -0.266 0.000 0.999 248 V CB 2.076 33.795 31.823 -0.173 0.000 1.049 248 V HN 0.450 nan 8.190 nan 0.000 0.431 249 N N 0.644 118.950 118.700 -0.657 0.000 2.647 249 N HA 0.353 5.093 4.740 0.000 0.000 0.266 249 N C 0.446 175.557 175.510 -0.665 0.000 1.373 249 N CA -0.587 51.950 53.050 -0.854 0.000 0.807 249 N CB 2.244 40.537 38.487 -0.322 0.000 1.513 249 N HN 0.629 nan 8.380 nan 0.000 0.505 250 Q N 0.473 120.058 119.800 -0.359 0.000 2.096 250 Q HA -0.181 4.159 4.340 0.000 0.000 0.208 250 Q C 0.849 176.880 176.000 0.052 0.000 0.993 250 Q CA 2.533 58.388 55.803 0.087 0.000 0.862 250 Q CB -0.248 28.652 28.738 0.271 0.000 0.915 250 Q HN 0.767 nan 8.270 nan 0.000 0.416 251 D N -0.921 119.490 120.400 0.018 0.000 2.178 251 D HA -0.177 4.463 4.640 0.000 0.000 0.201 251 D C 0.807 177.118 176.300 0.019 0.000 0.980 251 D CA 1.524 55.538 54.000 0.023 0.000 0.842 251 D CB -0.629 40.181 40.800 0.017 0.000 0.948 251 D HN 0.640 nan 8.370 nan 0.000 0.472 252 N N -1.191 117.514 118.700 0.008 0.000 2.280 252 N HA 0.088 4.828 4.740 0.000 0.000 0.192 252 N C -0.682 174.924 175.510 0.160 0.000 1.109 252 N CA -0.412 52.665 53.050 0.045 0.000 0.855 252 N CB 0.126 38.615 38.487 0.003 0.000 0.974 252 N HN 0.082 nan 8.380 nan 0.000 0.482 253 F N 0.935 120.854 119.950 -0.052 0.000 2.787 253 F HA 0.318 4.845 4.527 -0.000 0.000 0.340 253 F C 0.886 176.697 175.800 0.018 0.000 1.232 253 F CA -1.494 56.487 58.000 -0.031 0.000 1.051 253 F CB 1.048 40.043 39.000 -0.008 0.000 1.330 253 F HN 0.044 nan 8.300 nan 0.000 0.522 254 S N 3.864 119.303 115.700 -0.435 0.000 2.419 254 S HA -0.121 4.349 4.470 0.000 0.000 0.235 254 S C 1.248 175.629 174.600 -0.365 0.000 1.019 254 S CA 0.934 58.940 58.200 -0.324 0.000 0.982 254 S CB -0.276 62.755 63.200 -0.281 0.000 0.789 254 S HN 0.752 nan 8.310 nan 0.000 0.490 255 R N 0.107 120.146 120.500 -0.769 0.000 2.586 255 R HA 0.346 4.686 4.340 0.000 0.000 0.306 255 R C -0.620 175.719 176.300 0.065 0.000 1.079 255 R CA -0.460 55.410 56.100 -0.384 0.000 1.083 255 R CB -0.162 29.874 30.300 -0.440 0.000 1.306 255 R HN 0.428 nan 8.270 nan 0.000 0.567 256 F N 0.787 120.775 119.950 0.064 0.000 2.443 256 F HA 0.220 4.747 4.527 -0.000 0.000 0.353 256 F C 0.839 176.672 175.800 0.054 0.000 1.101 256 F CA -0.642 57.472 58.000 0.191 0.000 1.226 256 F CB 0.972 40.080 39.000 0.180 0.000 1.140 256 F HN -0.010 nan 8.300 nan 0.000 0.557 257 A N 4.437 126.842 122.820 -0.691 0.000 2.503 257 A HA 0.598 4.918 4.320 0.000 0.000 0.263 257 A C 0.758 177.930 177.584 -0.687 0.000 1.258 257 A CA 0.281 52.004 52.037 -0.523 0.000 0.936 257 A CB -1.122 17.700 19.000 -0.296 0.000 1.070 257 A HN 1.769 nan 8.150 nan 0.000 0.522 258 G N -0.424 107.550 108.800 -1.376 0.000 2.707 258 G HA2 -0.074 3.886 3.960 0.000 0.000 0.686 258 G HA3 -0.074 3.886 3.960 0.000 0.000 0.686 258 G C -0.628 173.967 174.900 -0.508 0.000 1.315 258 G CA -0.804 43.888 45.100 -0.679 0.000 0.832 258 G HN 0.584 nan 8.290 nan 0.000 0.573 259 R N -0.841 119.544 120.500 -0.192 0.000 2.404 259 R HA 0.608 4.948 4.340 0.000 0.000 0.291 259 R C 0.723 176.798 176.300 -0.376 0.000 1.025 259 R CA -0.138 55.741 56.100 -0.368 0.000 0.991 259 R CB 1.597 31.489 30.300 -0.680 0.000 1.053 259 R HN 1.131 nan 8.270 nan 0.000 0.479 260 V N -0.404 119.237 119.914 -0.456 0.000 2.667 260 V HA 0.920 5.040 4.120 0.000 0.000 0.308 260 V C 0.786 176.450 176.094 -0.717 0.000 1.048 260 V CA 0.034 62.051 62.300 -0.471 0.000 0.928 260 V CB 1.493 33.050 31.823 -0.442 0.000 1.004 260 V HN 0.911 nan 8.190 nan 0.000 0.444 261 G N 1.748 110.188 108.800 -0.600 0.000 2.273 261 G HA2 -0.120 3.840 3.960 0.000 0.000 0.162 261 G HA3 -0.120 3.840 3.960 0.000 0.000 0.162 261 G C -0.150 174.789 174.900 0.065 0.000 1.006 261 G CA 0.382 45.275 45.100 -0.344 0.000 0.704 261 G HN 1.143 nan 8.290 nan 0.000 0.487 262 L N -0.831 120.347 121.223 -0.074 0.000 2.658 262 L HA 0.679 5.019 4.340 0.000 0.000 0.201 262 L C 0.002 176.435 176.870 -0.728 0.000 1.050 262 L CA 0.335 54.918 54.840 -0.428 0.000 0.893 262 L CB 0.223 41.837 42.059 -0.742 0.000 1.503 262 L HN 0.049 nan 8.230 nan 0.000 0.485 263 F N 1.181 120.971 119.950 -0.268 0.000 2.399 263 F HA 0.275 4.802 4.527 0.000 0.000 0.334 263 F C 0.953 176.369 175.800 -0.640 0.000 1.097 263 F CA -0.612 57.182 58.000 -0.342 0.000 1.076 263 F CB 0.590 39.481 39.000 -0.181 0.000 1.162 263 F HN 0.176 nan 8.300 nan 0.000 0.495 264 N N 0.585 119.114 118.700 -0.284 0.000 2.362 264 N HA -0.014 4.726 4.740 0.000 0.000 0.211 264 N C -0.408 175.120 175.510 0.030 0.000 1.170 264 N CA -0.116 52.846 53.050 -0.146 0.000 0.828 264 N CB -0.777 37.789 38.487 0.132 0.000 1.034 264 N HN 0.772 nan 8.380 nan 0.000 0.475 265 N N -1.827 116.877 118.700 0.007 0.000 2.142 265 N HA 0.015 4.755 4.740 0.000 0.000 0.233 265 N C -0.755 174.750 175.510 -0.010 0.000 1.335 265 N CA -0.557 52.501 53.050 0.012 0.000 0.837 265 N CB 0.229 38.709 38.487 -0.012 0.000 1.238 265 N HN -0.066 nan 8.380 nan 0.000 0.501 266 Q N 1.074 120.872 119.800 -0.003 0.000 2.330 266 Q HA 0.120 4.460 4.340 0.000 0.000 0.279 266 Q C 1.092 177.067 176.000 -0.042 0.000 1.024 266 Q CA 0.239 56.019 55.803 -0.038 0.000 0.900 266 Q CB 1.359 30.075 28.738 -0.037 0.000 1.221 266 Q HN 0.434 nan 8.270 nan 0.000 0.396 267 A N 3.210 125.976 122.820 -0.091 0.000 2.015 267 A HA -0.094 4.226 4.320 0.000 0.000 0.219 267 A C 1.907 179.439 177.584 -0.087 0.000 1.163 267 A CA 1.654 53.639 52.037 -0.085 0.000 0.646 267 A CB -0.601 18.329 19.000 -0.116 0.000 0.806 267 A HN 0.838 nan 8.150 nan 0.000 0.448 268 G N -0.194 108.528 108.800 -0.131 0.000 2.418 268 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 268 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 268 G C 1.218 176.094 174.900 -0.040 0.000 1.158 268 G CA 1.135 46.154 45.100 -0.136 0.000 0.771 268 G HN 0.482 nan 8.290 nan 0.000 0.545 269 D N 0.348 120.768 120.400 0.032 0.000 2.117 269 D HA -0.046 4.594 4.640 0.000 0.000 0.198 269 D C 2.707 179.073 176.300 0.111 0.000 0.982 269 D CA 0.540 54.626 54.000 0.144 0.000 0.828 269 D CB -0.115 40.818 40.800 0.222 0.000 0.967 269 D HN 0.237 nan 8.370 nan 0.000 0.464 270 R N 0.330 120.866 120.500 0.060 0.000 2.075 270 R HA -0.019 4.321 4.340 0.000 0.000 0.232 270 R C 2.613 178.931 176.300 0.031 0.000 1.126 270 R CA 0.460 56.587 56.100 0.045 0.000 0.963 270 R CB -0.398 29.914 30.300 0.020 0.000 0.858 270 R HN 0.238 nan 8.270 nan 0.000 0.435 271 L N 0.638 121.865 121.223 0.006 0.000 2.093 271 L HA -0.156 4.184 4.340 0.000 0.000 0.208 271 L C 2.409 179.287 176.870 0.014 0.000 1.085 271 L CA 0.995 55.831 54.840 -0.007 0.000 0.755 271 L CB -0.348 41.688 42.059 -0.038 0.000 0.904 271 L HN 0.166 nan 8.230 nan 0.000 0.435 272 L N -0.813 120.432 121.223 0.037 0.000 2.083 272 L HA -0.233 4.107 4.340 0.000 0.000 0.209 272 L C 2.670 179.631 176.870 0.152 0.000 1.083 272 L CA 1.277 56.174 54.840 0.096 0.000 0.752 272 L CB -0.399 41.748 42.059 0.147 0.000 0.899 272 L HN 0.326 nan 8.230 nan 0.000 0.433 273 Q N -0.519 119.359 119.800 0.129 0.000 2.079 273 Q HA -0.227 4.113 4.340 0.000 0.000 0.200 273 Q C 2.179 178.218 176.000 0.064 0.000 0.974 273 Q CA 1.371 57.235 55.803 0.102 0.000 0.840 273 Q CB -0.195 28.593 28.738 0.083 0.000 0.898 273 Q HN 0.358 nan 8.270 nan 0.000 0.430 274 L N 0.427 121.678 121.223 0.046 0.000 2.240 274 L HA 0.180 4.520 4.340 0.000 0.000 0.211 274 L C 0.561 177.444 176.870 0.021 0.000 1.106 274 L CA 0.470 55.325 54.840 0.026 0.000 0.793 274 L CB -0.526 41.540 42.059 0.012 0.000 0.927 274 L HN -0.004 nan 8.230 nan 0.000 0.446 275 A N 0.572 123.409 122.820 0.028 0.000 2.587 275 A HA 0.031 4.351 4.320 0.000 0.000 0.233 275 A C 0.899 178.495 177.584 0.021 0.000 1.049 275 A CA 0.616 52.663 52.037 0.017 0.000 0.754 275 A CB -0.182 18.831 19.000 0.022 0.000 0.977 275 A HN 0.627 nan 8.150 nan 0.000 0.509 276 D N 0.410 120.812 120.400 0.004 0.000 2.398 276 D HA 0.214 4.854 4.640 0.000 0.000 0.210 276 D C -0.187 176.116 176.300 0.005 0.000 1.094 276 D CA 0.074 54.078 54.000 0.007 0.000 0.839 276 D CB 0.252 41.052 40.800 -0.000 0.000 0.963 276 D HN 0.326 nan 8.370 nan 0.000 0.506 277 L N 0.930 122.150 121.223 -0.005 0.000 2.639 277 L HA 0.377 4.717 4.340 0.000 0.000 0.264 277 L C -2.016 174.835 176.870 -0.030 0.000 0.948 277 L CA -0.689 54.143 54.840 -0.013 0.000 0.912 277 L CB 2.110 44.147 42.059 -0.037 0.000 1.294 277 L HN -0.209 nan 8.230 nan 0.000 0.412 278 V N 6.362 126.285 119.914 0.016 0.000 2.448 278 V HA 0.550 4.670 4.120 0.000 0.000 0.295 278 V C -0.043 176.070 176.094 0.032 0.000 1.025 278 V CA -0.342 61.964 62.300 0.010 0.000 0.859 278 V CB 1.760 33.649 31.823 0.109 0.000 0.988 278 V HN 0.611 nan 8.190 nan 0.000 0.431 279 I N 4.153 124.720 120.570 -0.005 0.000 2.382 279 I HA 0.363 4.533 4.170 0.000 0.000 0.285 279 I C -0.301 175.921 176.117 0.175 0.000 1.007 279 I CA -0.167 61.202 61.300 0.114 0.000 1.142 279 I CB 1.331 39.429 38.000 0.162 0.000 1.289 279 I HN 0.527 nan 8.210 nan 0.000 0.453 280 C N 7.205 126.611 119.300 0.177 0.000 2.388 280 C HA 0.545 5.005 4.460 0.000 0.000 0.362 280 C C 0.374 175.457 174.990 0.155 0.000 1.266 280 C CA -0.483 58.632 59.018 0.162 0.000 2.028 280 C CB -0.118 27.836 27.740 0.358 0.000 2.440 280 C HN 0.532 nan 8.230 nan 0.000 0.547 281 I N 2.724 123.359 120.570 0.109 0.000 2.410 281 I HA 0.432 4.602 4.170 0.000 0.000 0.286 281 I C 0.987 177.142 176.117 0.062 0.000 1.009 281 I CA 0.024 61.348 61.300 0.039 0.000 1.111 281 I CB 1.197 39.177 38.000 -0.034 0.000 1.262 281 I HN 0.953 nan 8.210 nan 0.000 0.443 282 G N 4.491 113.309 108.800 0.031 0.000 2.283 282 G HA2 -0.328 3.632 3.960 0.000 0.000 0.280 282 G HA3 -0.328 3.632 3.960 0.000 0.000 0.280 282 G C -0.405 174.580 174.900 0.141 0.000 1.029 282 G CA 0.239 45.370 45.100 0.053 0.000 0.840 282 G HN 0.667 nan 8.290 nan 0.000 0.505 283 Y N 0.662 121.008 120.300 0.077 0.000 2.361 283 Y HA 0.684 5.234 4.550 0.000 0.000 0.332 283 Y C 0.072 176.078 175.900 0.177 0.000 1.101 283 Y CA -0.803 57.365 58.100 0.114 0.000 1.137 283 Y CB 2.056 40.584 38.460 0.113 0.000 1.207 283 Y HN 0.323 nan 8.280 nan 0.000 0.463 284 S N 6.176 121.394 115.700 -0.804 0.000 2.521 284 S HA 0.439 4.909 4.470 0.000 0.000 0.295 284 S C -2.250 171.647 174.600 -1.172 0.000 1.098 284 S CA -1.910 55.874 58.200 -0.693 0.000 0.999 284 S CB 1.710 64.737 63.200 -0.289 0.000 1.034 284 S HN 0.594 nan 8.310 nan 0.000 0.483 285 P HA -0.117 nan 4.420 nan 0.000 0.220 285 P C 1.454 178.605 177.300 -0.248 0.000 1.144 285 P CA 1.089 63.901 63.100 -0.479 0.000 0.800 285 P CB -0.128 31.428 31.700 -0.240 0.000 0.772 286 V N -2.636 117.115 119.914 -0.272 0.000 2.970 286 V HA -0.133 3.987 4.120 0.000 0.000 0.260 286 V C 1.737 177.801 176.094 -0.049 0.000 1.100 286 V CA 1.478 63.687 62.300 -0.152 0.000 1.122 286 V CB -1.242 30.478 31.823 -0.172 0.000 0.721 286 V HN 0.103 nan 8.190 nan 0.000 0.483 287 E N -0.659 119.506 120.200 -0.058 0.000 2.216 287 E HA 0.026 4.376 4.350 0.000 0.000 0.192 287 E C -0.071 176.724 176.600 0.325 0.000 0.988 287 E CA 0.930 57.394 56.400 0.108 0.000 0.834 287 E CB 0.178 29.944 29.700 0.111 0.000 0.772 287 E HN 0.710 nan 8.360 nan 0.000 0.479 288 Y N 0.675 121.101 120.300 0.210 0.000 2.282 288 Y HA 0.137 4.687 4.550 -0.000 0.000 0.317 288 Y C -1.436 174.664 175.900 0.333 0.000 1.236 288 Y CA -1.813 56.458 58.100 0.285 0.000 1.134 288 Y CB 0.792 39.457 38.460 0.341 0.000 1.267 288 Y HN -0.234 nan 8.280 nan 0.000 0.410 289 E N 8.279 128.484 120.200 0.009 0.000 2.905 289 E HA 0.026 4.376 4.350 0.000 0.000 0.240 289 E C -2.104 174.290 176.600 -0.343 0.000 0.990 289 E CA -0.632 55.673 56.400 -0.159 0.000 0.954 289 E CB 0.890 30.496 29.700 -0.156 0.000 0.908 289 E HN 0.471 nan 8.360 nan 0.000 0.532 290 P HA -0.176 nan 4.420 nan 0.000 0.219 290 P C 0.660 177.472 177.300 -0.813 0.000 1.146 290 P CA 1.860 64.570 63.100 -0.651 0.000 0.808 290 P CB 0.136 31.651 31.700 -0.308 0.000 0.779 291 A N -1.251 121.302 122.820 -0.445 0.000 2.125 291 A HA -0.147 4.173 4.320 0.000 0.000 0.219 291 A C 1.944 179.331 177.584 -0.328 0.000 1.156 291 A CA 1.335 53.171 52.037 -0.335 0.000 0.671 291 A CB -1.153 17.723 19.000 -0.208 0.000 0.794 291 A HN 0.062 nan 8.150 nan 0.000 0.459 292 M N -1.186 118.176 119.600 -0.397 0.000 2.419 292 M HA -0.009 4.471 4.480 0.000 0.000 0.264 292 M C 1.754 178.018 176.300 -0.060 0.000 1.082 292 M CA 0.758 55.899 55.300 -0.264 0.000 1.119 292 M CB -0.878 31.482 32.600 -0.400 0.000 1.398 292 M HN 0.983 nan 8.290 nan 0.000 0.453 293 W N -1.976 119.223 121.300 -0.169 0.000 2.977 293 W HA 0.289 4.949 4.660 -0.000 0.000 0.236 293 W C 0.068 176.572 176.519 -0.025 0.000 1.053 293 W CA -0.455 56.860 57.345 -0.050 0.000 1.375 293 W CB -0.505 28.954 29.460 -0.001 0.000 0.814 293 W HN 0.052 nan 8.180 nan 0.000 0.713 294 N N 3.054 121.301 118.700 -0.756 0.000 2.415 294 N HA 0.068 4.808 4.740 0.000 0.000 0.250 294 N C 0.991 176.353 175.510 -0.247 0.000 1.127 294 N CA 0.744 53.453 53.050 -0.568 0.000 0.945 294 N CB 1.295 39.159 38.487 -1.040 0.000 1.196 294 N HN 0.110 nan 8.380 nan 0.000 0.499 295 S N 1.930 117.584 115.700 -0.076 0.000 2.562 295 S HA 0.135 4.605 4.470 0.000 0.000 0.221 295 S C 1.487 176.058 174.600 -0.049 0.000 0.975 295 S CA 0.369 58.538 58.200 -0.051 0.000 0.918 295 S CB -0.263 62.936 63.200 -0.002 0.000 0.772 295 S HN 0.741 nan 8.310 nan 0.000 0.531 296 G N 2.313 111.083 108.800 -0.051 0.000 2.212 296 G HA2 -0.302 3.658 3.960 0.000 0.000 0.266 296 G HA3 -0.302 3.658 3.960 0.000 0.000 0.266 296 G C 0.614 175.506 174.900 -0.014 0.000 0.978 296 G CA 0.358 45.433 45.100 -0.040 0.000 0.632 296 G HN 0.570 nan 8.290 nan 0.000 0.537 297 N N 1.218 119.917 118.700 -0.001 0.000 2.370 297 N HA 0.435 5.175 4.740 0.000 0.000 0.198 297 N C 0.634 176.154 175.510 0.016 0.000 1.156 297 N CA 1.046 54.099 53.050 0.005 0.000 0.839 297 N CB 0.469 38.960 38.487 0.006 0.000 0.989 297 N HN 0.959 nan 8.380 nan 0.000 0.468 298 A N -0.257 122.579 122.820 0.027 0.000 2.435 298 A HA 0.542 4.862 4.320 0.000 0.000 0.304 298 A C -0.040 177.564 177.584 0.034 0.000 1.064 298 A CA -0.532 51.527 52.037 0.036 0.000 0.727 298 A CB 0.959 19.995 19.000 0.062 0.000 1.284 298 A HN 0.020 nan 8.150 nan 0.000 0.415 299 T N 1.589 116.159 114.554 0.026 0.000 2.916 299 T HA 0.356 4.706 4.350 0.000 0.000 0.303 299 T C -0.310 174.414 174.700 0.041 0.000 1.025 299 T CA 0.619 62.733 62.100 0.022 0.000 1.142 299 T CB 0.048 68.926 68.868 0.016 0.000 0.947 299 T HN 0.574 nan 8.240 nan 0.000 0.544 300 L N 5.683 126.928 121.223 0.036 0.000 2.325 300 L HA 0.611 4.951 4.340 0.000 0.000 0.281 300 L C -0.937 175.968 176.870 0.057 0.000 1.004 300 L CA -0.466 54.410 54.840 0.060 0.000 0.823 300 L CB 1.326 43.402 42.059 0.028 0.000 1.236 300 L HN 0.417 nan 8.230 nan 0.000 0.415 301 V N 4.427 124.402 119.914 0.101 0.000 2.459 301 V HA 0.391 4.511 4.120 0.000 0.000 0.295 301 V C -0.953 175.265 176.094 0.208 0.000 1.029 301 V CA -0.673 61.700 62.300 0.121 0.000 0.874 301 V CB 1.424 33.309 31.823 0.102 0.000 0.985 301 V HN 0.823 nan 8.190 nan 0.000 0.438 302 H N 4.820 123.952 119.070 0.104 0.000 2.587 302 H HA 0.661 5.217 4.556 0.000 0.000 0.325 302 H C -0.983 174.436 175.328 0.151 0.000 1.012 302 H CA -0.507 55.646 56.048 0.175 0.000 1.213 302 H CB 1.012 30.868 29.762 0.157 0.000 1.431 302 H HN 0.590 nan 8.280 nan 0.000 0.492 303 I N 5.179 125.613 120.570 -0.228 0.000 2.382 303 I HA 0.326 4.496 4.170 0.000 0.000 0.286 303 I C -0.726 175.216 176.117 -0.292 0.000 1.002 303 I CA -0.414 60.775 61.300 -0.186 0.000 1.135 303 I CB 1.451 39.427 38.000 -0.040 0.000 1.288 303 I HN 0.657 nan 8.210 nan 0.000 0.448 304 D N 3.027 123.287 120.400 -0.234 0.000 2.725 304 D HA 0.151 4.791 4.640 0.000 0.000 0.292 304 D C 0.299 176.587 176.300 -0.021 0.000 1.288 304 D CA -0.495 53.430 54.000 -0.124 0.000 0.784 304 D CB 1.853 42.570 40.800 -0.138 0.000 1.308 304 D HN 0.192 nan 8.370 nan 0.000 0.429 305 V N -0.828 119.096 119.914 0.016 0.000 3.380 305 V HA 0.362 4.482 4.120 0.000 0.000 0.268 305 V C 0.523 176.654 176.094 0.061 0.000 1.168 305 V CA 0.765 63.085 62.300 0.032 0.000 1.156 305 V CB -1.014 30.826 31.823 0.027 0.000 0.785 305 V HN 0.302 nan 8.190 nan 0.000 0.487 306 L N -0.797 120.486 121.223 0.100 0.000 2.415 306 L HA 0.606 4.946 4.340 0.000 0.000 0.256 306 L C -2.726 174.282 176.870 0.230 0.000 1.010 306 L CA -2.133 52.788 54.840 0.136 0.000 0.826 306 L CB 2.475 44.608 42.059 0.125 0.000 1.405 306 L HN -0.157 nan 8.230 nan 0.000 0.410 307 P HA 0.088 nan 4.420 nan 0.000 0.269 307 P C -0.870 176.543 177.300 0.188 0.000 1.217 307 P CA -0.165 63.049 63.100 0.190 0.000 0.783 307 P CB 0.559 32.320 31.700 0.102 0.000 0.898 308 A N 2.180 124.998 122.820 -0.004 0.000 2.351 308 A HA 0.171 4.491 4.320 0.000 0.000 0.257 308 A C -0.734 176.865 177.584 0.025 0.000 1.087 308 A CA -0.131 51.771 52.037 -0.225 0.000 0.798 308 A CB -0.400 18.213 19.000 -0.645 0.000 1.033 308 A HN 0.591 nan 8.150 nan 0.000 0.488 309 Y N 1.889 122.202 120.300 0.022 0.000 2.650 309 Y HA 0.243 4.793 4.550 0.000 0.000 0.343 309 Y C 0.494 176.446 175.900 0.088 0.000 1.078 309 Y CA -0.142 57.980 58.100 0.037 0.000 1.356 309 Y CB -0.198 38.268 38.460 0.011 0.000 1.204 309 Y HN 0.765 nan 8.280 nan 0.000 0.508 310 E N 4.440 124.502 120.200 -0.230 0.000 2.534 310 E HA -0.074 4.276 4.350 0.000 0.000 0.264 310 E C -0.297 176.209 176.600 -0.157 0.000 0.981 310 E CA 0.754 57.058 56.400 -0.160 0.000 0.948 310 E CB 0.574 30.158 29.700 -0.194 0.000 0.934 310 E HN 0.683 nan 8.360 nan 0.000 0.459 311 E N 1.657 121.869 120.200 0.019 0.000 2.407 311 E HA 0.052 4.402 4.350 0.000 0.000 0.279 311 E C 0.282 176.901 176.600 0.032 0.000 1.012 311 E CA -0.600 55.840 56.400 0.068 0.000 0.800 311 E CB 1.268 31.098 29.700 0.217 0.000 1.276 311 E HN 0.473 nan 8.360 nan 0.000 0.452 312 R N 1.475 121.980 120.500 0.009 0.000 2.134 312 R HA -0.166 4.174 4.340 0.000 0.000 0.248 312 R C 0.502 176.778 176.300 -0.041 0.000 1.143 312 R CA 2.249 58.335 56.100 -0.024 0.000 0.957 312 R CB -0.114 30.168 30.300 -0.031 0.000 0.867 312 R HN 0.360 nan 8.270 nan 0.000 0.441 313 N N -0.994 117.681 118.700 -0.042 0.000 2.380 313 N HA -0.003 4.737 4.740 0.000 0.000 0.255 313 N C -1.255 174.244 175.510 -0.020 0.000 1.158 313 N CA 0.115 53.101 53.050 -0.106 0.000 0.878 313 N CB 0.977 39.332 38.487 -0.220 0.000 1.138 313 N HN 0.225 nan 8.380 nan 0.000 0.509 314 Y N 0.975 121.217 120.300 -0.095 0.000 2.583 314 Y HA 0.061 4.611 4.550 0.000 0.000 0.303 314 Y C -0.746 175.148 175.900 -0.010 0.000 1.108 314 Y CA -0.897 57.192 58.100 -0.018 0.000 1.252 314 Y CB 0.075 38.582 38.460 0.078 0.000 1.114 314 Y HN -0.077 nan 8.280 nan 0.000 0.594 315 T N 1.795 116.219 114.554 -0.216 0.000 3.154 315 T HA 0.501 4.851 4.350 0.000 0.000 0.381 315 T C -2.794 171.760 174.700 -0.244 0.000 1.368 315 T CA -2.219 59.757 62.100 -0.206 0.000 1.155 315 T CB 0.804 69.604 68.868 -0.113 0.000 1.120 315 T HN 0.190 nan 8.240 nan 0.000 0.570 316 P HA 0.098 nan 4.420 nan 0.000 0.263 316 P C 0.469 177.709 177.300 -0.100 0.000 1.175 316 P CA -0.022 62.940 63.100 -0.230 0.000 0.761 316 P CB 0.617 32.189 31.700 -0.214 0.000 0.794 317 D N 1.022 121.392 120.400 -0.050 0.000 2.194 317 D HA 0.000 4.640 4.640 0.000 0.000 0.204 317 D C 0.362 176.661 176.300 -0.002 0.000 0.964 317 D CA 1.301 55.287 54.000 -0.023 0.000 0.846 317 D CB 0.382 41.177 40.800 -0.008 0.000 0.962 317 D HN 0.110 nan 8.370 nan 0.000 0.490 318 V N 0.869 120.795 119.914 0.019 0.000 2.760 318 V HA 0.290 4.410 4.120 0.000 0.000 0.309 318 V C -0.627 175.516 176.094 0.081 0.000 1.077 318 V CA -0.743 61.582 62.300 0.042 0.000 0.910 318 V CB 2.787 34.637 31.823 0.046 0.000 1.008 318 V HN -0.151 nan 8.190 nan 0.000 0.424 319 E N 4.171 124.425 120.200 0.090 0.000 2.185 319 E HA 0.533 4.883 4.350 0.000 0.000 0.261 319 E C -1.377 175.290 176.600 0.112 0.000 0.879 319 E CA -0.517 55.974 56.400 0.152 0.000 0.756 319 E CB 2.085 31.882 29.700 0.162 0.000 1.152 319 E HN 0.529 nan 8.360 nan 0.000 0.416 320 L N 3.962 125.242 121.223 0.095 0.000 2.287 320 L HA 0.394 4.734 4.340 0.000 0.000 0.280 320 L C -0.581 176.314 176.870 0.042 0.000 1.055 320 L CA -0.793 54.080 54.840 0.056 0.000 0.863 320 L CB 0.770 42.853 42.059 0.040 0.000 1.245 320 L HN 0.207 nan 8.230 nan 0.000 0.432 321 V N 2.574 122.522 119.914 0.058 0.000 2.472 321 V HA 0.935 5.055 4.120 0.000 0.000 0.290 321 V C 0.654 176.770 176.094 0.036 0.000 1.037 321 V CA -0.055 62.278 62.300 0.055 0.000 0.908 321 V CB 1.198 33.069 31.823 0.079 0.000 0.985 321 V HN 0.976 nan 8.190 nan 0.000 0.454 322 G N 3.399 112.214 108.800 0.026 0.000 2.339 322 G HA2 0.029 3.989 3.960 0.000 0.000 0.275 322 G HA3 0.029 3.989 3.960 0.000 0.000 0.275 322 G C -1.190 173.716 174.900 0.010 0.000 1.323 322 G CA -0.560 44.551 45.100 0.019 0.000 0.927 322 G HN 0.636 nan 8.290 nan 0.000 0.486 323 D N 0.628 121.032 120.400 0.006 0.000 2.363 323 D HA 0.167 4.807 4.640 0.000 0.000 0.263 323 D C 1.783 178.079 176.300 -0.007 0.000 1.258 323 D CA -0.134 53.866 54.000 -0.000 0.000 0.907 323 D CB 0.571 41.371 40.800 -0.000 0.000 1.107 323 D HN 0.354 nan 8.370 nan 0.000 0.495 324 I N 3.708 124.270 120.570 -0.014 0.000 2.163 324 I HA -0.335 3.835 4.170 0.000 0.000 0.243 324 I C 2.479 178.578 176.117 -0.031 0.000 1.085 324 I CA 1.341 62.626 61.300 -0.026 0.000 1.347 324 I CB -0.240 37.741 38.000 -0.032 0.000 1.044 324 I HN 0.486 nan 8.210 nan 0.000 0.408 325 A N 0.912 123.715 122.820 -0.029 0.000 1.908 325 A HA -0.156 4.164 4.320 0.000 0.000 0.218 325 A C 2.431 180.001 177.584 -0.024 0.000 1.181 325 A CA 2.050 54.068 52.037 -0.032 0.000 0.627 325 A CB -1.446 17.538 19.000 -0.027 0.000 0.818 325 A HN 0.491 nan 8.150 nan 0.000 0.445 326 G N -1.344 107.448 108.800 -0.015 0.000 2.402 326 G HA2 -0.118 3.842 3.960 0.000 0.000 0.216 326 G HA3 -0.118 3.842 3.960 0.000 0.000 0.216 326 G C 1.566 176.463 174.900 -0.005 0.000 1.162 326 G CA 1.600 46.695 45.100 -0.008 0.000 0.777 326 G HN 0.434 nan 8.290 nan 0.000 0.539 327 T N 1.425 115.975 114.554 -0.006 0.000 2.777 327 T HA 0.010 4.360 4.350 0.000 0.000 0.266 327 T C 2.386 177.084 174.700 -0.003 0.000 1.040 327 T CA 0.708 62.809 62.100 0.000 0.000 1.141 327 T CB -0.149 68.720 68.868 0.000 0.000 0.868 327 T HN 0.120 nan 8.240 nan 0.000 0.444 328 L N 0.950 122.159 121.223 -0.023 0.000 2.109 328 L HA -0.043 4.297 4.340 0.000 0.000 0.207 328 L C 2.570 179.425 176.870 -0.025 0.000 1.086 328 L CA 0.868 55.685 54.840 -0.039 0.000 0.760 328 L CB -0.602 41.406 42.059 -0.085 0.000 0.910 328 L HN 0.225 nan 8.230 nan 0.000 0.437 329 N N 0.685 119.373 118.700 -0.019 0.000 2.106 329 N HA -0.153 4.587 4.740 0.000 0.000 0.188 329 N C 1.789 177.302 175.510 0.004 0.000 1.029 329 N CA 1.227 54.271 53.050 -0.010 0.000 0.848 329 N CB -0.051 38.430 38.487 -0.009 0.000 1.007 329 N HN 0.325 nan 8.380 nan 0.000 0.423 330 K N 0.462 120.867 120.400 0.008 0.000 2.057 330 K HA -0.099 4.221 4.320 0.000 0.000 0.207 330 K C 1.938 178.553 176.600 0.026 0.000 1.049 330 K CA 0.638 56.934 56.287 0.016 0.000 0.931 330 K CB -0.203 32.306 32.500 0.015 0.000 0.714 330 K HN 0.012 nan 8.250 nan 0.000 0.440 331 L N 1.115 122.356 121.223 0.031 0.000 2.046 331 L HA -0.124 4.216 4.340 0.000 0.000 0.208 331 L C 2.215 179.121 176.870 0.059 0.000 1.077 331 L CA 1.714 56.585 54.840 0.052 0.000 0.747 331 L CB -0.696 41.403 42.059 0.066 0.000 0.896 331 L HN 0.130 nan 8.230 nan 0.000 0.432 332 A N -1.233 121.614 122.820 0.045 0.000 1.978 332 A HA -0.270 4.050 4.320 0.000 0.000 0.220 332 A C 2.118 179.731 177.584 0.049 0.000 1.170 332 A CA 1.834 53.901 52.037 0.050 0.000 0.636 332 A CB -0.568 18.448 19.000 0.027 0.000 0.810 332 A HN 0.680 nan 8.150 nan 0.000 0.448 333 Q N -0.449 119.372 119.800 0.036 0.000 2.436 333 Q HA -0.003 4.337 4.340 0.000 0.000 0.209 333 Q C 0.335 176.356 176.000 0.034 0.000 0.965 333 Q CA 0.635 56.456 55.803 0.031 0.000 0.910 333 Q CB -0.023 28.729 28.738 0.022 0.000 0.980 333 Q HN 0.592 nan 8.270 nan 0.000 0.491 334 N N 0.300 119.026 118.700 0.043 0.000 2.321 334 N HA 0.217 4.957 4.740 0.000 0.000 0.242 334 N C -0.685 174.859 175.510 0.057 0.000 1.141 334 N CA 0.183 53.258 53.050 0.043 0.000 0.864 334 N CB 0.947 39.458 38.487 0.040 0.000 1.100 334 N HN 0.165 nan 8.380 nan 0.000 0.510 335 I N 0.773 121.386 120.570 0.071 0.000 2.355 335 I HA 0.152 4.322 4.170 0.000 0.000 0.288 335 I C 0.501 176.675 176.117 0.095 0.000 0.999 335 I CA -0.470 60.892 61.300 0.103 0.000 1.163 335 I CB 1.680 39.756 38.000 0.127 0.000 1.316 335 I HN -0.190 nan 8.210 nan 0.000 0.454 336 D N 4.269 124.720 120.400 0.084 0.000 2.249 336 D HA -0.006 4.634 4.640 0.000 0.000 0.205 336 D C 0.348 176.713 176.300 0.108 0.000 0.962 336 D CA 1.200 55.214 54.000 0.024 0.000 0.860 336 D CB 0.260 40.992 40.800 -0.113 0.000 0.955 336 D HN 0.699 nan 8.370 nan 0.000 0.505 337 H N -2.304 116.776 119.070 0.017 0.000 3.008 337 H HA 0.568 5.124 4.556 0.000 0.000 0.354 337 H C -0.539 174.798 175.328 0.015 0.000 1.252 337 H CA -1.169 54.882 56.048 0.006 0.000 1.117 337 H CB 1.427 31.189 29.762 0.001 0.000 1.857 337 H HN -0.350 nan 8.280 nan 0.000 0.547 338 R N 0.856 121.350 120.500 -0.010 0.000 2.539 338 R HA 0.156 4.496 4.340 0.000 0.000 0.275 338 R C -0.423 175.754 176.300 -0.206 0.000 1.077 338 R CA -0.922 55.124 56.100 -0.091 0.000 1.097 338 R CB 0.972 31.156 30.300 -0.193 0.000 1.018 338 R HN 0.442 nan 8.270 nan 0.000 0.483 339 L N 2.837 123.999 121.223 -0.101 0.000 2.455 339 L HA 0.075 4.415 4.340 0.000 0.000 0.272 339 L C -0.725 176.092 176.870 -0.088 0.000 1.174 339 L CA 0.368 55.130 54.840 -0.129 0.000 0.869 339 L CB 0.986 43.026 42.059 -0.032 0.000 1.130 339 L HN 0.256 nan 8.230 nan 0.000 0.474 340 V N 7.158 127.003 119.914 -0.114 0.000 2.348 340 V HA 0.237 4.357 4.120 0.000 0.000 0.270 340 V C 0.464 176.532 176.094 -0.044 0.000 1.037 340 V CA -0.675 61.587 62.300 -0.063 0.000 0.872 340 V CB 0.888 32.677 31.823 -0.057 0.000 1.002 340 V HN 0.644 nan 8.190 nan 0.000 0.464 341 L N 4.721 125.927 121.223 -0.028 0.000 2.525 341 L HA 0.101 4.441 4.340 0.000 0.000 0.278 341 L C 1.155 178.010 176.870 -0.024 0.000 1.218 341 L CA 0.412 55.236 54.840 -0.026 0.000 0.878 341 L CB 0.556 42.600 42.059 -0.025 0.000 1.127 341 L HN 0.850 nan 8.230 nan 0.000 0.492 342 S N 2.598 118.284 115.700 -0.024 0.000 2.593 342 S HA 0.232 4.702 4.470 0.000 0.000 0.269 342 S C -1.774 172.816 174.600 -0.018 0.000 1.334 342 S CA -1.158 57.031 58.200 -0.019 0.000 1.015 342 S CB 1.114 64.303 63.200 -0.017 0.000 0.912 342 S HN 0.420 nan 8.310 nan 0.000 0.541 343 P HA -0.116 nan 4.420 nan 0.000 0.216 343 P C 1.317 178.607 177.300 -0.017 0.000 1.150 343 P CA 1.266 64.356 63.100 -0.015 0.000 0.843 343 P CB 0.009 31.701 31.700 -0.013 0.000 0.787 344 Q N -0.498 119.293 119.800 -0.015 0.000 2.046 344 Q HA -0.082 4.258 4.340 0.000 0.000 0.200 344 Q C 2.313 178.303 176.000 -0.018 0.000 0.975 344 Q CA 1.987 57.781 55.803 -0.014 0.000 0.836 344 Q CB -1.627 27.105 28.738 -0.010 0.000 0.896 344 Q HN 0.161 nan 8.270 nan 0.000 0.428 345 A N 0.818 123.626 122.820 -0.020 0.000 1.883 345 A HA -0.132 4.188 4.320 0.000 0.000 0.217 345 A C 2.300 179.866 177.584 -0.029 0.000 1.186 345 A CA 1.993 54.015 52.037 -0.025 0.000 0.624 345 A CB -1.180 17.804 19.000 -0.027 0.000 0.822 345 A HN 0.383 nan 8.150 nan 0.000 0.444 346 A N -0.478 122.325 122.820 -0.028 0.000 1.978 346 A HA -0.167 4.153 4.320 0.000 0.000 0.220 346 A C 1.954 179.519 177.584 -0.030 0.000 1.170 346 A CA 2.240 54.258 52.037 -0.031 0.000 0.636 346 A CB -0.451 18.533 19.000 -0.027 0.000 0.810 346 A HN 0.583 nan 8.150 nan 0.000 0.448 347 E N 0.398 120.583 120.200 -0.027 0.000 2.072 347 E HA -0.112 4.238 4.350 0.000 0.000 0.191 347 E C 1.675 178.258 176.600 -0.027 0.000 0.985 347 E CA 1.380 57.764 56.400 -0.026 0.000 0.801 347 E CB -0.404 29.283 29.700 -0.023 0.000 0.750 347 E HN 0.640 nan 8.360 nan 0.000 0.452 348 I N 0.226 120.780 120.570 -0.027 0.000 2.286 348 I HA -0.242 3.928 4.170 0.000 0.000 0.248 348 I C 2.193 178.287 176.117 -0.040 0.000 1.115 348 I CA 0.841 62.123 61.300 -0.030 0.000 1.392 348 I CB -0.214 37.769 38.000 -0.029 0.000 1.065 348 I HN 0.163 nan 8.210 nan 0.000 0.418 349 L N 0.026 121.222 121.223 -0.044 0.000 2.217 349 L HA -0.147 4.193 4.340 0.000 0.000 0.211 349 L C 2.669 179.514 176.870 -0.042 0.000 1.107 349 L CA 0.927 55.736 54.840 -0.052 0.000 0.783 349 L CB -0.444 41.581 42.059 -0.056 0.000 0.919 349 L HN 0.175 nan 8.230 nan 0.000 0.442 350 R N 0.148 120.628 120.500 -0.032 0.000 2.092 350 R HA -0.138 4.202 4.340 0.000 0.000 0.231 350 R C 1.839 178.136 176.300 -0.005 0.000 1.119 350 R CA 1.343 57.430 56.100 -0.022 0.000 0.970 350 R CB 0.016 30.299 30.300 -0.028 0.000 0.864 350 R HN 0.307 nan 8.270 nan 0.000 0.440 351 D N -0.457 119.938 120.400 -0.009 0.000 2.149 351 D HA -0.154 4.486 4.640 0.000 0.000 0.201 351 D C 1.751 178.057 176.300 0.010 0.000 0.972 351 D CA 0.859 54.871 54.000 0.020 0.000 0.835 351 D CB -0.131 40.672 40.800 0.004 0.000 0.966 351 D HN 0.232 nan 8.370 nan 0.000 0.476 352 R N 0.964 121.437 120.500 -0.044 0.000 2.115 352 R HA -0.127 4.213 4.340 0.000 0.000 0.230 352 R C 2.165 178.394 176.300 -0.118 0.000 1.111 352 R CA 1.128 57.166 56.100 -0.104 0.000 0.976 352 R CB -0.026 30.201 30.300 -0.123 0.000 0.870 352 R HN 0.128 nan 8.270 nan 0.000 0.445 353 Q N -0.632 119.133 119.800 -0.059 0.000 2.084 353 Q HA -0.258 4.082 4.340 0.000 0.000 0.202 353 Q C 1.843 177.836 176.000 -0.011 0.000 0.978 353 Q CA 2.024 57.802 55.803 -0.041 0.000 0.844 353 Q CB -0.135 28.597 28.738 -0.009 0.000 0.898 353 Q HN 0.506 nan 8.270 nan 0.000 0.426 354 H N 0.405 119.431 119.070 -0.073 0.000 2.357 354 H HA -0.128 4.428 4.556 0.000 0.000 0.301 354 H C 2.105 177.391 175.328 -0.070 0.000 1.082 354 H CA 2.285 58.299 56.048 -0.057 0.000 1.342 354 H CB -0.028 29.707 29.762 -0.045 0.000 1.389 354 H HN 0.460 nan 8.280 nan 0.000 0.511 355 Q N 0.052 119.740 119.800 -0.187 0.000 2.119 355 Q HA -0.127 4.213 4.340 0.000 0.000 0.201 355 Q C 2.229 178.065 176.000 -0.273 0.000 0.972 355 Q CA 1.205 56.851 55.803 -0.262 0.000 0.847 355 Q CB -0.199 28.423 28.738 -0.194 0.000 0.903 355 Q HN 0.376 nan 8.270 nan 0.000 0.433 356 R N 0.720 121.040 120.500 -0.300 0.000 2.092 356 R HA -0.103 4.237 4.340 0.000 0.000 0.231 356 R C 2.091 178.339 176.300 -0.088 0.000 1.119 356 R CA 1.552 57.444 56.100 -0.346 0.000 0.970 356 R CB -0.054 29.948 30.300 -0.496 0.000 0.864 356 R HN 0.406 nan 8.270 nan 0.000 0.440 357 E N 0.670 120.809 120.200 -0.101 0.000 2.077 357 E HA -0.151 4.199 4.350 0.000 0.000 0.193 357 E C 1.888 178.450 176.600 -0.065 0.000 0.989 357 E CA 1.038 57.409 56.400 -0.049 0.000 0.800 357 E CB 0.031 29.704 29.700 -0.045 0.000 0.746 357 E HN 0.236 nan 8.360 nan 0.000 0.452 358 L N 0.147 121.265 121.223 -0.175 0.000 2.093 358 L HA -0.151 4.189 4.340 0.000 0.000 0.208 358 L C 2.271 179.134 176.870 -0.012 0.000 1.085 358 L CA 0.683 55.441 54.840 -0.135 0.000 0.755 358 L CB -0.279 41.632 42.059 -0.246 0.000 0.904 358 L HN 0.202 nan 8.230 nan 0.000 0.435 359 L N -0.794 120.439 121.223 0.017 0.000 2.291 359 L HA -0.082 4.258 4.340 0.000 0.000 0.214 359 L C 0.436 177.520 176.870 0.357 0.000 1.120 359 L CA 0.342 55.285 54.840 0.172 0.000 0.799 359 L CB -0.399 41.691 42.059 0.053 0.000 0.925 359 L HN 0.193 nan 8.230 nan 0.000 0.446 360 D N -0.270 120.279 120.400 0.249 0.000 2.357 360 D HA 0.217 4.857 4.640 0.000 0.000 0.242 360 D C 0.530 176.892 176.300 0.103 0.000 1.153 360 D CA 0.289 54.412 54.000 0.204 0.000 0.918 360 D CB 0.640 41.533 40.800 0.155 0.000 1.181 360 D HN -0.114 nan 8.370 nan 0.000 0.435 361 R N 0.034 120.563 120.500 0.049 0.000 2.416 361 R HA 0.042 4.382 4.340 0.000 0.000 0.247 361 R C 0.675 176.959 176.300 -0.026 0.000 1.178 361 R CA -0.137 55.965 56.100 0.005 0.000 1.278 361 R CB 0.092 30.386 30.300 -0.010 0.000 1.386 361 R HN 0.399 nan 8.270 nan 0.000 0.765 362 R N -1.193 119.297 120.500 -0.018 0.000 2.328 362 R HA 0.027 4.367 4.340 0.000 0.000 0.207 362 R C 0.887 177.167 176.300 -0.033 0.000 1.056 362 R CA 1.614 57.694 56.100 -0.034 0.000 1.016 362 R CB 0.250 30.535 30.300 -0.024 0.000 0.872 362 R HN 0.235 nan 8.270 nan 0.000 0.471 363 G N 0.040 108.825 108.800 -0.025 0.000 3.192 363 G HA2 0.373 4.333 3.960 0.000 0.000 0.239 363 G HA3 0.373 4.333 3.960 0.000 0.000 0.239 363 G C 0.162 175.044 174.900 -0.030 0.000 1.084 363 G CA 0.087 45.172 45.100 -0.025 0.000 0.784 363 G HN 0.416 nan 8.290 nan 0.000 0.540 364 A N 0.070 122.867 122.820 -0.039 0.000 2.322 364 A HA 0.551 4.871 4.320 0.000 0.000 0.269 364 A C 1.233 178.785 177.584 -0.054 0.000 1.094 364 A CA -0.121 51.889 52.037 -0.047 0.000 0.807 364 A CB 0.993 19.957 19.000 -0.060 0.000 1.047 364 A HN 0.157 nan 8.150 nan 0.000 0.487 365 Q N 0.715 120.484 119.800 -0.051 0.000 1.990 365 Q HA 0.014 4.354 4.340 0.000 0.000 0.200 365 Q C 0.434 176.398 176.000 -0.060 0.000 0.980 365 Q CA 1.846 57.620 55.803 -0.048 0.000 0.832 365 Q CB -0.533 28.182 28.738 -0.038 0.000 0.897 365 Q HN 0.783 nan 8.270 nan 0.000 0.427 366 L N 1.633 122.813 121.223 -0.071 0.000 3.739 366 L HA -0.247 4.093 4.340 0.000 0.000 0.442 366 L C -0.280 176.559 176.870 -0.051 0.000 1.241 366 L CA 0.385 55.174 54.840 -0.085 0.000 0.819 366 L CB -1.700 40.287 42.059 -0.119 0.000 1.679 366 L HN 0.526 nan 8.230 nan 0.000 0.889 367 N N 0.250 118.932 118.700 -0.030 0.000 2.279 367 N HA 0.012 4.752 4.740 0.000 0.000 0.226 367 N C 0.509 176.033 175.510 0.024 0.000 1.126 367 N CA -0.347 52.696 53.050 -0.012 0.000 0.846 367 N CB 0.306 38.781 38.487 -0.021 0.000 1.050 367 N HN 0.784 nan 8.380 nan 0.000 0.502 368 Q N 0.042 119.861 119.800 0.031 0.000 2.443 368 Q HA 0.280 4.620 4.340 0.000 0.000 0.232 368 Q C -1.337 174.741 176.000 0.130 0.000 1.026 368 Q CA -0.269 55.572 55.803 0.063 0.000 0.924 368 Q CB 0.796 29.559 28.738 0.042 0.000 1.256 368 Q HN 0.189 nan 8.270 nan 0.000 0.519 369 F N 0.031 119.950 119.950 -0.053 0.000 2.588 369 F HA 0.569 5.096 4.527 0.000 0.000 0.318 369 F C -0.927 174.837 175.800 -0.059 0.000 1.155 369 F CA -0.602 57.357 58.000 -0.069 0.000 0.967 369 F CB 1.635 40.598 39.000 -0.062 0.000 1.236 369 F HN 0.920 nan 8.300 nan 0.000 0.455 370 A N 5.531 127.978 122.820 -0.622 0.000 2.507 370 A HA 0.349 4.669 4.320 0.000 0.000 0.235 370 A C -0.149 177.157 177.584 -0.463 0.000 1.070 370 A CA -0.281 51.177 52.037 -0.965 0.000 0.768 370 A CB 0.038 18.611 19.000 -0.711 0.000 1.011 370 A HN 0.853 nan 8.150 nan 0.000 0.502 371 L N 2.268 123.237 121.223 -0.423 0.000 2.514 371 L HA 0.012 4.352 4.340 0.000 0.000 0.280 371 L C 1.188 177.867 176.870 -0.319 0.000 1.223 371 L CA 0.048 54.724 54.840 -0.273 0.000 0.864 371 L CB 0.110 41.984 42.059 -0.309 0.000 1.118 371 L HN 0.774 nan 8.230 nan 0.000 0.494 372 H N 4.802 123.694 119.070 -0.296 0.000 2.610 372 H HA 0.119 4.675 4.556 0.000 0.000 0.336 372 H C -1.875 173.170 175.328 -0.472 0.000 1.087 372 H CA -1.808 54.057 56.048 -0.305 0.000 1.405 372 H CB 1.838 31.483 29.762 -0.195 0.000 1.460 372 H HN 0.332 nan 8.280 nan 0.000 0.538 373 P HA -0.212 nan 4.420 nan 0.000 0.217 373 P C 1.644 178.617 177.300 -0.546 0.000 1.151 373 P CA 0.786 63.339 63.100 -0.912 0.000 0.849 373 P CB 0.261 30.870 31.700 -1.819 0.000 0.787 374 L N -0.716 120.389 121.223 -0.198 0.000 2.141 374 L HA -0.087 4.253 4.340 0.000 0.000 0.209 374 L C 2.389 179.158 176.870 -0.168 0.000 1.094 374 L CA 1.799 56.574 54.840 -0.108 0.000 0.763 374 L CB -1.031 41.044 42.059 0.027 0.000 0.908 374 L HN -0.223 nan 8.230 nan 0.000 0.437 375 R N -0.092 120.320 120.500 -0.147 0.000 2.092 375 R HA -0.049 4.291 4.340 0.000 0.000 0.231 375 R C 2.091 178.260 176.300 -0.219 0.000 1.119 375 R CA 1.701 57.700 56.100 -0.170 0.000 0.970 375 R CB -0.646 29.571 30.300 -0.139 0.000 0.864 375 R HN 0.474 nan 8.270 nan 0.000 0.440 376 I N -0.349 120.025 120.570 -0.327 0.000 2.252 376 I HA -0.203 3.967 4.170 0.000 0.000 0.245 376 I C 1.965 177.987 176.117 -0.158 0.000 1.102 376 I CA 0.868 61.938 61.300 -0.382 0.000 1.385 376 I CB -0.215 37.260 38.000 -0.875 0.000 1.064 376 I HN -0.052 nan 8.210 nan 0.000 0.414 377 V N 1.009 120.875 119.914 -0.081 0.000 2.407 377 V HA -0.270 3.850 4.120 0.000 0.000 0.248 377 V C 2.649 178.663 176.094 -0.135 0.000 1.055 377 V CA 1.797 64.121 62.300 0.040 0.000 1.049 377 V CB -0.835 30.956 31.823 -0.055 0.000 0.662 377 V HN 0.432 nan 8.190 nan 0.000 0.455 378 R N 0.322 120.703 120.500 -0.199 0.000 2.075 378 R HA -0.132 4.208 4.340 0.000 0.000 0.232 378 R C 2.294 178.499 176.300 -0.158 0.000 1.126 378 R CA 1.664 57.641 56.100 -0.207 0.000 0.963 378 R CB -0.403 29.792 30.300 -0.175 0.000 0.858 378 R HN 0.478 nan 8.270 nan 0.000 0.435 379 A N 0.891 123.634 122.820 -0.128 0.000 1.933 379 A HA -0.144 4.176 4.320 0.000 0.000 0.218 379 A C 2.222 179.770 177.584 -0.060 0.000 1.175 379 A CA 1.401 53.376 52.037 -0.103 0.000 0.628 379 A CB -0.365 18.563 19.000 -0.120 0.000 0.814 379 A HN 0.338 nan 8.150 nan 0.000 0.444 380 M N -1.162 118.435 119.600 -0.004 0.000 2.175 380 M HA -0.194 4.286 4.480 0.000 0.000 0.264 380 M C 2.346 178.707 176.300 0.101 0.000 1.063 380 M CA 1.480 56.857 55.300 0.129 0.000 1.119 380 M CB -0.349 32.463 32.600 0.354 0.000 1.377 380 M HN 0.481 nan 8.290 nan 0.000 0.415 381 Q N 0.232 119.946 119.800 -0.142 0.000 2.167 381 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 381 Q C 1.446 177.367 176.000 -0.133 0.000 0.970 381 Q CA 1.051 56.663 55.803 -0.319 0.000 0.855 381 Q CB -0.048 28.386 28.738 -0.507 0.000 0.911 381 Q HN 0.470 nan 8.270 nan 0.000 0.438 382 D N 0.485 120.827 120.400 -0.096 0.000 2.178 382 D HA -0.121 4.519 4.640 0.000 0.000 0.202 382 D C 1.826 178.106 176.300 -0.033 0.000 0.974 382 D CA 1.090 55.051 54.000 -0.066 0.000 0.841 382 D CB 0.063 40.822 40.800 -0.069 0.000 0.953 382 D HN 0.466 nan 8.370 nan 0.000 0.478 383 I N -2.212 118.351 120.570 -0.011 0.000 3.645 383 I HA 0.073 4.243 4.170 0.000 0.000 0.300 383 I C 0.423 176.564 176.117 0.039 0.000 1.260 383 I CA -0.026 61.277 61.300 0.005 0.000 1.365 383 I CB 0.342 38.339 38.000 -0.005 0.000 1.077 383 I HN -0.353 nan 8.210 nan 0.000 0.439 384 V N 4.790 124.751 119.914 0.078 0.000 2.353 384 V HA 0.229 4.349 4.120 0.000 0.000 0.264 384 V C -0.409 175.740 176.094 0.092 0.000 1.049 384 V CA -0.287 62.086 62.300 0.122 0.000 0.896 384 V CB -0.249 31.733 31.823 0.264 0.000 1.025 384 V HN 0.641 nan 8.190 nan 0.000 0.475 385 N N 2.566 121.305 118.700 0.064 0.000 2.906 385 N HA 0.308 5.048 4.740 0.000 0.000 0.327 385 N C 1.125 176.663 175.510 0.046 0.000 1.344 385 N CA -0.233 52.844 53.050 0.045 0.000 0.823 385 N CB 0.731 39.234 38.487 0.027 0.000 1.351 385 N HN 0.274 nan 8.380 nan 0.000 0.604 386 S N -2.210 113.510 115.700 0.032 0.000 2.500 386 S HA -0.113 4.357 4.470 0.000 0.000 0.239 386 S C 0.144 174.760 174.600 0.027 0.000 0.989 386 S CA 0.892 59.108 58.200 0.027 0.000 0.951 386 S CB -0.494 62.717 63.200 0.017 0.000 0.759 386 S HN 0.580 nan 8.310 nan 0.000 0.523 387 D N 0.644 121.064 120.400 0.033 0.000 2.395 387 D HA 0.287 4.927 4.640 0.000 0.000 0.213 387 D C -0.532 175.798 176.300 0.049 0.000 1.110 387 D CA 0.131 54.152 54.000 0.035 0.000 0.835 387 D CB 1.127 41.947 40.800 0.034 0.000 0.965 387 D HN 0.263 nan 8.370 nan 0.000 0.505 388 V N 1.037 120.982 119.914 0.053 0.000 2.495 388 V HA 0.251 4.371 4.120 0.000 0.000 0.298 388 V C 0.435 176.566 176.094 0.061 0.000 1.031 388 V CA -0.517 61.823 62.300 0.066 0.000 0.871 388 V CB 2.124 33.988 31.823 0.068 0.000 0.988 388 V HN -0.117 nan 8.190 nan 0.000 0.432 389 T N 5.729 120.324 114.554 0.068 0.000 2.882 389 T HA 0.604 4.954 4.350 0.000 0.000 0.287 389 T C -0.581 174.149 174.700 0.050 0.000 0.992 389 T CA -0.110 62.022 62.100 0.052 0.000 1.076 389 T CB 1.165 70.071 68.868 0.063 0.000 0.961 389 T HN 0.446 nan 8.240 nan 0.000 0.490 390 L N 3.662 124.896 121.223 0.018 0.000 2.381 390 L HA 0.662 5.002 4.340 0.000 0.000 0.274 390 L C -0.045 176.827 176.870 0.005 0.000 0.988 390 L CA -0.254 54.584 54.840 -0.004 0.000 0.824 390 L CB 1.813 43.827 42.059 -0.075 0.000 1.263 390 L HN 0.767 nan 8.230 nan 0.000 0.410 391 T N 2.114 116.706 114.554 0.063 0.000 2.855 391 T HA 0.824 5.174 4.350 0.000 0.000 0.281 391 T C -0.708 174.083 174.700 0.151 0.000 1.007 391 T CA -0.712 61.490 62.100 0.170 0.000 1.009 391 T CB 1.610 70.669 68.868 0.319 0.000 0.983 391 T HN 0.390 nan 8.240 nan 0.000 0.455 392 V N 3.069 123.120 119.914 0.228 0.000 2.531 392 V HA 0.425 4.545 4.120 0.000 0.000 0.301 392 V C 0.170 176.442 176.094 0.297 0.000 1.034 392 V CA -0.925 61.486 62.300 0.185 0.000 0.865 392 V CB 1.634 33.469 31.823 0.020 0.000 0.995 392 V HN 1.026 nan 8.190 nan 0.000 0.424 393 D N 2.134 122.726 120.400 0.321 0.000 2.425 393 D HA 0.369 5.009 4.640 0.000 0.000 0.274 393 D C -0.446 176.066 176.300 0.353 0.000 1.242 393 D CA -0.434 53.721 54.000 0.259 0.000 1.060 393 D CB 1.355 42.307 40.800 0.253 0.000 1.112 393 D HN 0.418 nan 8.370 nan 0.000 0.561 394 M N -0.332 119.363 119.600 0.158 0.000 2.364 394 M HA 0.503 4.983 4.480 0.000 0.000 0.334 394 M C -0.405 175.783 176.300 -0.187 0.000 1.107 394 M CA -0.018 55.200 55.300 -0.136 0.000 0.988 394 M CB 1.176 33.654 32.600 -0.203 0.000 1.673 394 M HN 0.441 nan 8.290 nan 0.000 0.441 395 G N 1.230 109.689 108.800 -0.568 0.000 2.359 395 G HA2 0.149 4.109 3.960 0.000 0.000 0.293 395 G HA3 0.149 4.109 3.960 0.000 0.000 0.293 395 G C -0.238 174.243 174.900 -0.698 0.000 1.300 395 G CA -0.082 44.744 45.100 -0.457 0.000 0.888 395 G HN 0.810 nan 8.290 nan 0.000 0.541 396 S N -0.968 114.503 115.700 -0.382 0.000 2.370 396 S HA -0.148 4.322 4.470 0.000 0.000 0.226 396 S C 2.387 176.876 174.600 -0.186 0.000 1.033 396 S CA 2.870 60.878 58.200 -0.319 0.000 1.011 396 S CB -0.700 62.202 63.200 -0.498 0.000 0.852 396 S HN 1.378 nan 8.310 nan 0.000 0.457 397 F N 0.956 120.890 119.950 -0.026 0.000 2.250 397 F HA 0.009 4.536 4.527 -0.000 0.000 0.301 397 F C 2.051 177.715 175.800 -0.227 0.000 1.077 397 F CA 1.492 59.205 58.000 -0.478 0.000 1.348 397 F CB -1.498 36.574 39.000 -1.547 0.000 1.040 397 F HN 0.431 nan 8.300 nan 0.000 0.509 398 H N 0.513 118.879 119.070 -1.174 0.000 2.353 398 H HA -0.112 4.444 4.556 0.000 0.000 0.300 398 H C 2.024 177.207 175.328 -0.242 0.000 1.090 398 H CA 2.108 57.783 56.048 -0.623 0.000 1.327 398 H CB 0.031 29.361 29.762 -0.720 0.000 1.383 398 H HN 0.202 nan 8.280 nan 0.000 0.508 399 I N -0.375 120.181 120.570 -0.023 0.000 2.315 399 I HA -0.258 3.912 4.170 0.000 0.000 0.248 399 I C 1.797 177.999 176.117 0.142 0.000 1.117 399 I CA 0.894 62.209 61.300 0.025 0.000 1.404 399 I CB -1.552 36.362 38.000 -0.143 0.000 1.071 399 I HN 0.470 nan 8.210 nan 0.000 0.419 400 W N 1.360 122.750 121.300 0.150 0.000 2.355 400 W HA -0.125 4.535 4.660 -0.000 0.000 0.309 400 W C 2.643 179.389 176.519 0.379 0.000 1.206 400 W CA 0.817 58.347 57.345 0.308 0.000 1.284 400 W CB -0.509 29.157 29.460 0.343 0.000 1.145 400 W HN -0.016 nan 8.180 nan 0.000 0.502 401 I N -0.070 120.764 120.570 0.441 0.000 2.252 401 I HA -0.294 3.876 4.170 0.000 0.000 0.245 401 I C 2.544 178.838 176.117 0.295 0.000 1.102 401 I CA 1.323 62.828 61.300 0.342 0.000 1.385 401 I CB -0.913 37.106 38.000 0.032 0.000 1.064 401 I HN -0.033 nan 8.210 nan 0.000 0.414 402 A N 0.862 123.804 122.820 0.204 0.000 1.902 402 A HA -0.256 4.064 4.320 0.000 0.000 0.217 402 A C 2.317 180.167 177.584 0.443 0.000 1.181 402 A CA 1.869 54.092 52.037 0.311 0.000 0.623 402 A CB -0.532 18.610 19.000 0.237 0.000 0.818 402 A HN 0.310 nan 8.150 nan 0.000 0.443 403 R N -1.155 119.539 120.500 0.324 0.000 2.127 403 R HA -0.135 4.205 4.340 0.000 0.000 0.238 403 R C 0.549 176.735 176.300 -0.190 0.000 1.134 403 R CA 1.648 57.561 56.100 -0.311 0.000 0.975 403 R CB -0.672 29.358 30.300 -0.449 0.000 0.865 403 R HN 0.576 nan 8.270 nan 0.000 0.447 404 Y N -0.268 120.151 120.300 0.200 0.000 2.658 404 Y HA 0.275 4.825 4.550 -0.000 0.000 0.276 404 Y C 1.106 177.043 175.900 0.063 0.000 1.167 404 Y CA -0.369 57.742 58.100 0.018 0.000 1.230 404 Y CB 0.247 38.717 38.460 0.017 0.000 1.144 404 Y HN -0.044 nan 8.280 nan 0.000 0.529 405 L N -0.330 121.105 121.223 0.353 0.000 2.261 405 L HA -0.270 4.070 4.340 0.000 0.000 0.216 405 L C 2.169 179.204 176.870 0.274 0.000 1.114 405 L CA 1.552 56.611 54.840 0.366 0.000 0.777 405 L CB -0.480 41.760 42.059 0.303 0.000 0.910 405 L HN 0.557 nan 8.230 nan 0.000 0.440 406 Y N -1.290 119.150 120.300 0.234 0.000 2.574 406 Y HA -0.113 4.437 4.550 -0.000 0.000 0.294 406 Y C 2.334 178.308 175.900 0.123 0.000 1.142 406 Y CA 0.983 59.181 58.100 0.164 0.000 1.314 406 Y CB -1.195 37.354 38.460 0.147 0.000 0.991 406 Y HN 0.141 nan 8.280 nan 0.000 0.555 407 T N -3.752 110.529 114.554 -0.454 0.000 3.069 407 T HA 0.228 4.578 4.350 0.000 0.000 0.252 407 T C -0.210 174.289 174.700 -0.335 0.000 1.053 407 T CA -0.425 61.424 62.100 -0.419 0.000 0.964 407 T CB -0.752 67.754 68.868 -0.605 0.000 1.005 407 T HN 0.122 nan 8.240 nan 0.000 0.532 408 F N 2.232 122.140 119.950 -0.071 0.000 2.391 408 F HA 0.564 5.091 4.527 0.000 0.000 0.359 408 F C 0.772 176.557 175.800 -0.024 0.000 1.122 408 F CA -1.279 56.703 58.000 -0.030 0.000 1.120 408 F CB 1.181 40.178 39.000 -0.005 0.000 1.142 408 F HN -0.210 nan 8.300 nan 0.000 0.483 409 R N 2.692 123.262 120.500 0.117 0.000 4.048 409 R HA 0.436 4.776 4.340 0.000 0.000 0.290 409 R C -0.114 176.233 176.300 0.078 0.000 1.519 409 R CA -0.301 55.839 56.100 0.067 0.000 1.446 409 R CB 0.215 30.531 30.300 0.025 0.000 1.455 409 R HN 0.571 nan 8.270 nan 0.000 0.706 410 A N 0.127 123.010 122.820 0.104 0.000 2.302 410 A HA 0.275 4.595 4.320 0.000 0.000 0.285 410 A C 1.135 178.740 177.584 0.035 0.000 1.105 410 A CA -0.543 51.539 52.037 0.075 0.000 0.816 410 A CB 0.621 19.666 19.000 0.075 0.000 1.067 410 A HN 0.573 nan 8.150 nan 0.000 0.489 411 R N -0.279 120.238 120.500 0.028 0.000 2.091 411 R HA -0.128 4.212 4.340 0.000 0.000 0.238 411 R C 0.255 176.554 176.300 -0.002 0.000 1.136 411 R CA 2.184 58.291 56.100 0.012 0.000 0.959 411 R CB -0.087 30.223 30.300 0.016 0.000 0.856 411 R HN 0.883 nan 8.270 nan 0.000 0.437 412 Q N -1.791 118.008 119.800 -0.002 0.000 2.527 412 Q HA 0.455 4.795 4.340 0.000 0.000 0.280 412 Q C -1.696 174.287 176.000 -0.029 0.000 0.977 412 Q CA -1.072 54.718 55.803 -0.023 0.000 0.837 412 Q CB 2.208 30.927 28.738 -0.031 0.000 1.454 412 Q HN -0.077 nan 8.270 nan 0.000 0.387 413 V N 1.869 121.753 119.914 -0.051 0.000 2.638 413 V HA 0.484 4.604 4.120 0.000 0.000 0.306 413 V C -0.697 175.336 176.094 -0.101 0.000 1.052 413 V CA -0.611 61.649 62.300 -0.068 0.000 0.885 413 V CB 1.886 33.666 31.823 -0.071 0.000 0.999 413 V HN 0.801 nan 8.190 nan 0.000 0.424 414 M N 5.470 124.994 119.600 -0.126 0.000 2.047 414 M HA 0.526 5.006 4.480 0.000 0.000 0.342 414 M C 0.319 176.555 176.300 -0.106 0.000 1.058 414 M CA 0.028 55.167 55.300 -0.268 0.000 0.991 414 M CB 1.550 33.849 32.600 -0.502 0.000 1.474 414 M HN 0.764 nan 8.290 nan 0.000 0.419 415 I N 0.051 120.591 120.570 -0.051 0.000 4.866 415 I HA 0.132 4.302 4.170 0.000 0.000 0.325 415 I C 0.726 176.973 176.117 0.216 0.000 1.240 415 I CA 0.294 61.656 61.300 0.103 0.000 1.355 415 I CB 0.917 38.905 38.000 -0.021 0.000 1.395 415 I HN 0.559 nan 8.210 nan 0.000 0.479 416 S N 2.350 118.128 115.700 0.131 0.000 2.563 416 S HA -0.025 4.445 4.470 0.000 0.000 0.294 416 S C 0.115 174.840 174.600 0.209 0.000 1.279 416 S CA 0.588 58.884 58.200 0.161 0.000 1.069 416 S CB -0.238 63.028 63.200 0.110 0.000 0.828 416 S HN 0.508 nan 8.310 nan 0.000 0.497 417 N N 3.035 121.830 118.700 0.159 0.000 2.884 417 N HA 0.203 4.943 4.740 0.000 0.000 0.211 417 N C 0.737 176.258 175.510 0.018 0.000 1.442 417 N CA 0.246 53.379 53.050 0.138 0.000 0.757 417 N CB 0.044 38.613 38.487 0.138 0.000 1.461 417 N HN 0.611 nan 8.380 nan 0.000 0.557 418 G N 0.538 109.359 108.800 0.035 0.000 2.469 418 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 418 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 418 G C 1.009 175.894 174.900 -0.024 0.000 1.150 418 G CA 0.783 45.883 45.100 0.000 0.000 0.763 418 G HN 0.422 nan 8.290 nan 0.000 0.561 419 Q N -0.296 119.502 119.800 -0.004 0.000 2.436 419 Q HA 0.017 4.357 4.340 0.000 0.000 0.209 419 Q C 0.892 176.857 176.000 -0.058 0.000 0.965 419 Q CA 0.440 56.231 55.803 -0.020 0.000 0.910 419 Q CB 0.021 28.765 28.738 0.010 0.000 0.980 419 Q HN 0.692 nan 8.270 nan 0.000 0.491 420 Q N 0.169 119.919 119.800 -0.083 0.000 2.487 420 Q HA -0.124 4.216 4.340 0.000 0.000 0.279 420 Q C -0.836 175.084 176.000 -0.132 0.000 1.228 420 Q CA 0.497 56.212 55.803 -0.147 0.000 0.873 420 Q CB -2.135 26.500 28.738 -0.172 0.000 1.260 420 Q HN 0.218 nan 8.270 nan 0.000 0.471 421 T N 1.616 116.106 114.554 -0.106 0.000 2.799 421 T HA 0.348 4.698 4.350 0.000 0.000 0.296 421 T C 0.642 175.218 174.700 -0.206 0.000 0.947 421 T CA -0.149 61.879 62.100 -0.120 0.000 1.141 421 T CB 0.304 69.130 68.868 -0.071 0.000 0.891 421 T HN 0.290 nan 8.240 nan 0.000 0.533 422 M N 1.421 120.924 119.600 -0.161 0.000 2.288 422 M HA 0.641 5.121 4.480 0.000 0.000 0.334 422 M C 1.058 177.226 176.300 -0.220 0.000 1.150 422 M CA -0.116 55.094 55.300 -0.149 0.000 1.118 422 M CB 0.698 33.266 32.600 -0.054 0.000 1.501 422 M HN 0.723 nan 8.290 nan 0.000 0.462 423 G N 0.987 109.649 108.800 -0.231 0.000 2.176 423 G HA2 -0.247 3.713 3.960 0.000 0.000 0.232 423 G HA3 -0.247 3.713 3.960 0.000 0.000 0.232 423 G C 0.377 174.940 174.900 -0.562 0.000 0.986 423 G CA 0.509 45.442 45.100 -0.278 0.000 0.643 423 G HN 1.274 nan 8.290 nan 0.000 0.522 424 V N -1.815 117.544 119.914 -0.925 0.000 2.719 424 V HA 0.455 4.575 4.120 0.000 0.000 0.252 424 V C 2.833 178.276 176.094 -1.085 0.000 1.065 424 V CA 1.742 63.093 62.300 -1.583 0.000 1.086 424 V CB -0.886 29.515 31.823 -2.370 0.000 0.700 424 V HN 1.341 nan 8.190 nan 0.000 0.467 425 A N 1.361 123.881 122.820 -0.500 0.000 1.849 425 A HA -0.211 4.109 4.320 0.000 0.000 0.217 425 A C 2.198 179.827 177.584 0.076 0.000 1.202 425 A CA 2.492 54.498 52.037 -0.050 0.000 0.629 425 A CB -0.925 18.134 19.000 0.098 0.000 0.834 425 A HN 0.583 nan 8.150 nan 0.000 0.447 426 L N 0.534 121.788 121.223 0.052 0.000 1.989 426 L HA -0.064 4.276 4.340 0.000 0.000 0.211 426 L C -0.711 176.188 176.870 0.049 0.000 1.071 426 L CA 2.553 57.427 54.840 0.057 0.000 0.749 426 L CB -1.328 40.657 42.059 -0.123 0.000 0.890 426 L HN 0.178 nan 8.230 nan 0.000 0.431 427 P HA -0.160 nan 4.420 nan 0.000 0.217 427 P C 1.177 178.581 177.300 0.172 0.000 1.150 427 P CA 1.379 64.512 63.100 0.056 0.000 0.832 427 P CB -0.283 31.464 31.700 0.079 0.000 0.787 428 W N 0.175 121.485 121.300 0.017 0.000 2.358 428 W HA 0.012 4.672 4.660 0.000 0.000 0.303 428 W C 2.560 179.114 176.519 0.057 0.000 1.208 428 W CA 1.060 58.419 57.345 0.024 0.000 1.274 428 W CB -1.675 27.784 29.460 -0.000 0.000 1.138 428 W HN -0.054 nan 8.180 nan 0.000 0.515 429 A N 0.065 123.070 122.820 0.309 0.000 1.902 429 A HA -0.166 4.154 4.320 0.000 0.000 0.217 429 A C 2.048 179.784 177.584 0.255 0.000 1.181 429 A CA 1.789 53.970 52.037 0.240 0.000 0.623 429 A CB -0.953 18.166 19.000 0.198 0.000 0.818 429 A HN 0.213 nan 8.150 nan 0.000 0.443 430 I N -0.410 120.293 120.570 0.222 0.000 2.226 430 I HA -0.197 3.973 4.170 0.000 0.000 0.245 430 I C 2.661 178.984 176.117 0.344 0.000 1.100 430 I CA 1.152 62.611 61.300 0.265 0.000 1.374 430 I CB -0.612 37.499 38.000 0.185 0.000 1.057 430 I HN 0.411 nan 8.210 nan 0.000 0.413 431 G N 0.407 109.347 108.800 0.232 0.000 2.402 431 G HA2 -0.169 3.791 3.960 0.000 0.000 0.216 431 G HA3 -0.169 3.791 3.960 0.000 0.000 0.216 431 G C 1.867 176.903 174.900 0.226 0.000 1.162 431 G CA 0.729 45.953 45.100 0.207 0.000 0.777 431 G HN 0.475 nan 8.290 nan 0.000 0.539 432 A N -0.060 122.884 122.820 0.207 0.000 1.930 432 A HA -0.038 4.282 4.320 0.000 0.000 0.217 432 A C 2.126 179.823 177.584 0.189 0.000 1.175 432 A CA 1.542 53.673 52.037 0.157 0.000 0.627 432 A CB -0.659 18.423 19.000 0.136 0.000 0.815 432 A HN 0.560 nan 8.150 nan 0.000 0.443 433 W N 0.571 121.929 121.300 0.097 0.000 2.381 433 W HA -0.086 4.574 4.660 0.000 0.000 0.301 433 W C 1.606 178.184 176.519 0.098 0.000 1.205 433 W CA 1.622 59.021 57.345 0.091 0.000 1.285 433 W CB -0.287 29.230 29.460 0.096 0.000 1.133 433 W HN 0.229 nan 8.180 nan 0.000 0.521 434 L N 0.015 121.315 121.223 0.129 0.000 2.265 434 L HA -0.214 4.126 4.340 0.000 0.000 0.215 434 L C 2.079 178.872 176.870 -0.128 0.000 1.117 434 L CA 0.790 55.592 54.840 -0.063 0.000 0.782 434 L CB -0.827 41.379 42.059 0.244 0.000 0.914 434 L HN -0.114 nan 8.230 nan 0.000 0.441 435 V N -0.615 119.270 119.914 -0.048 0.000 2.591 435 V HA -0.138 3.982 4.120 0.000 0.000 0.249 435 V C 0.148 176.171 176.094 -0.118 0.000 1.053 435 V CA 1.283 63.555 62.300 -0.046 0.000 1.068 435 V CB -0.416 31.412 31.823 0.008 0.000 0.689 435 V HN 0.519 nan 8.190 nan 0.000 0.462 436 N N -0.298 118.291 118.700 -0.185 0.000 2.726 436 N HA 0.222 4.962 4.740 0.000 0.000 0.253 436 N C -2.248 173.031 175.510 -0.386 0.000 1.530 436 N CA -0.847 52.083 53.050 -0.201 0.000 0.772 436 N CB 1.386 39.819 38.487 -0.090 0.000 1.220 436 N HN 0.143 nan 8.380 nan 0.000 0.508 437 P HA -0.201 nan 4.420 nan 0.000 0.226 437 P C 0.647 177.752 177.300 -0.325 0.000 1.146 437 P CA 1.262 63.710 63.100 -1.085 0.000 0.773 437 P CB 0.471 31.567 31.700 -1.007 0.000 0.772 438 E N -0.909 119.198 120.200 -0.155 0.000 2.385 438 E HA -0.002 4.348 4.350 0.000 0.000 0.194 438 E C 0.872 177.511 176.600 0.064 0.000 1.013 438 E CA 0.393 56.792 56.400 -0.002 0.000 0.866 438 E CB -0.192 29.499 29.700 -0.016 0.000 0.832 438 E HN 0.137 nan 8.360 nan 0.000 0.500 439 R N 1.079 121.610 120.500 0.052 0.000 2.553 439 R HA 0.449 4.789 4.340 0.000 0.000 0.263 439 R C -0.076 176.360 176.300 0.225 0.000 1.066 439 R CA -0.731 55.432 56.100 0.106 0.000 1.135 439 R CB 0.668 31.007 30.300 0.066 0.000 1.148 439 R HN -0.048 nan 8.270 nan 0.000 0.558 440 K N -0.073 120.437 120.400 0.183 0.000 2.123 440 K HA 0.435 4.755 4.320 0.000 0.000 0.259 440 K C -1.146 175.563 176.600 0.182 0.000 0.960 440 K CA -0.539 55.865 56.287 0.195 0.000 0.872 440 K CB 1.385 33.956 32.500 0.118 0.000 1.079 440 K HN 0.244 nan 8.250 nan 0.000 0.440 441 V N 3.442 123.463 119.914 0.179 0.000 2.656 441 V HA 0.501 4.621 4.120 0.000 0.000 0.307 441 V C -1.035 175.117 176.094 0.097 0.000 1.051 441 V CA -1.001 61.389 62.300 0.150 0.000 0.893 441 V CB 1.976 33.924 31.823 0.207 0.000 0.999 441 V HN 0.526 nan 8.190 nan 0.000 0.426 442 V N 3.594 123.554 119.914 0.077 0.000 2.409 442 V HA 0.614 4.734 4.120 0.000 0.000 0.291 442 V C 0.047 176.163 176.094 0.035 0.000 1.020 442 V CA -0.339 61.987 62.300 0.044 0.000 0.848 442 V CB 2.089 33.931 31.823 0.032 0.000 0.990 442 V HN 1.027 nan 8.190 nan 0.000 0.430 443 S N 4.140 119.851 115.700 0.018 0.000 2.537 443 S HA 0.864 5.334 4.470 0.000 0.000 0.301 443 S C -0.833 173.604 174.600 -0.271 0.000 1.092 443 S CA -0.813 57.392 58.200 0.009 0.000 1.048 443 S CB 2.130 65.462 63.200 0.221 0.000 1.053 443 S HN 0.720 nan 8.310 nan 0.000 0.501 444 V N 1.920 121.679 119.914 -0.259 0.000 2.808 444 V HA 0.879 4.999 4.120 0.000 0.000 0.308 444 V C -0.666 175.144 176.094 -0.474 0.000 1.099 444 V CA 0.304 62.341 62.300 -0.437 0.000 0.920 444 V CB 1.783 33.472 31.823 -0.223 0.000 1.014 444 V HN 1.516 nan 8.190 nan 0.000 0.425 445 S N 4.214 119.488 115.700 -0.711 0.000 2.688 445 S HA 0.899 5.369 4.470 0.000 0.000 0.275 445 S C -0.118 173.911 174.600 -0.953 0.000 1.175 445 S CA -0.194 57.541 58.200 -0.774 0.000 0.818 445 S CB 1.324 64.528 63.200 0.005 0.000 1.157 445 S HN 1.496 nan 8.310 nan 0.000 0.482 446 G N -0.231 108.279 108.800 -0.484 0.000 2.557 446 G HA2 0.477 4.437 3.960 0.000 0.000 0.302 446 G HA3 0.477 4.437 3.960 0.000 0.000 0.302 446 G C -0.012 174.947 174.900 0.099 0.000 1.311 446 G CA -0.187 44.896 45.100 -0.028 0.000 1.030 446 G HN 0.775 nan 8.290 nan 0.000 0.509 447 D N -0.903 119.609 120.400 0.187 0.000 2.183 447 D HA -0.022 4.618 4.640 0.000 0.000 0.203 447 D C 2.160 178.639 176.300 0.297 0.000 0.969 447 D CA 1.169 55.298 54.000 0.215 0.000 0.842 447 D CB -0.710 40.328 40.800 0.396 0.000 0.957 447 D HN 0.461 nan 8.370 nan 0.000 0.484 448 G N 0.669 109.714 108.800 0.408 0.000 2.433 448 G HA2 -0.150 3.810 3.960 0.000 0.000 0.216 448 G HA3 -0.150 3.810 3.960 0.000 0.000 0.216 448 G C 1.726 176.796 174.900 0.283 0.000 1.186 448 G CA 0.910 46.274 45.100 0.439 0.000 0.779 448 G HN 0.453 nan 8.290 nan 0.000 0.543 449 G N 0.246 109.199 108.800 0.255 0.000 2.402 449 G HA2 -0.161 3.799 3.960 0.000 0.000 0.216 449 G HA3 -0.161 3.799 3.960 0.000 0.000 0.216 449 G C 1.629 176.576 174.900 0.079 0.000 1.162 449 G CA 0.913 46.093 45.100 0.134 0.000 0.777 449 G HN 0.337 nan 8.290 nan 0.000 0.539 450 F N 0.957 120.891 119.950 -0.027 0.000 2.091 450 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 450 F C 2.148 177.885 175.800 -0.105 0.000 1.103 450 F CA 1.174 59.105 58.000 -0.116 0.000 1.228 450 F CB -0.332 38.575 39.000 -0.155 0.000 0.984 450 F HN 0.085 nan 8.300 nan 0.000 0.477 451 L N 0.363 121.509 121.223 -0.127 0.000 2.551 451 L HA -0.088 4.252 4.340 0.000 0.000 0.228 451 L C 2.058 178.825 176.870 -0.173 0.000 1.153 451 L CA 1.319 56.026 54.840 -0.221 0.000 0.851 451 L CB -0.776 41.230 42.059 -0.087 0.000 0.959 451 L HN 0.304 nan 8.230 nan 0.000 0.451 452 Q N -1.898 117.819 119.800 -0.139 0.000 2.354 452 Q HA 0.046 4.386 4.340 0.000 0.000 0.203 452 Q C 1.447 177.348 176.000 -0.165 0.000 0.933 452 Q CA 1.164 56.894 55.803 -0.122 0.000 0.901 452 Q CB 0.316 29.006 28.738 -0.080 0.000 1.007 452 Q HN 0.630 nan 8.270 nan 0.000 0.495 453 S N -1.579 113.993 115.700 -0.214 0.000 2.847 453 S HA 0.041 4.511 4.470 0.000 0.000 0.254 453 S C 1.502 175.940 174.600 -0.269 0.000 1.039 453 S CA 0.173 58.260 58.200 -0.188 0.000 1.113 453 S CB 0.289 63.404 63.200 -0.142 0.000 1.092 453 S HN 0.206 nan 8.310 nan 0.000 0.620 454 S N 3.224 118.647 115.700 -0.460 0.000 2.465 454 S HA -0.165 4.305 4.470 0.000 0.000 0.241 454 S C 2.185 176.619 174.600 -0.275 0.000 1.000 454 S CA 0.997 58.818 58.200 -0.631 0.000 0.964 454 S CB -0.895 61.642 63.200 -1.106 0.000 0.763 454 S HN 0.716 nan 8.310 nan 0.000 0.512 455 M N 0.749 120.309 119.600 -0.065 0.000 2.279 455 M HA 0.041 4.521 4.480 0.000 0.000 0.264 455 M C 0.922 177.253 176.300 0.052 0.000 1.062 455 M CA 1.540 56.907 55.300 0.111 0.000 1.099 455 M CB -1.259 31.416 32.600 0.125 0.000 1.394 455 M HN 0.085 nan 8.290 nan 0.000 0.426 456 E N 1.450 121.621 120.200 -0.047 0.000 2.516 456 E HA 0.116 4.466 4.350 0.000 0.000 0.199 456 E C 2.129 178.663 176.600 -0.109 0.000 1.069 456 E CA 0.288 56.671 56.400 -0.028 0.000 0.876 456 E CB -0.604 29.087 29.700 -0.015 0.000 0.843 456 E HN 0.630 nan 8.360 nan 0.000 0.530 457 L N 0.560 121.599 121.223 -0.306 0.000 2.141 457 L HA -0.124 4.216 4.340 0.000 0.000 0.209 457 L C 2.504 179.236 176.870 -0.230 0.000 1.094 457 L CA 0.937 55.484 54.840 -0.489 0.000 0.763 457 L CB -0.116 41.190 42.059 -1.255 0.000 0.908 457 L HN 0.089 nan 8.230 nan 0.000 0.437 458 E N -0.036 120.193 120.200 0.048 0.000 2.072 458 E HA -0.179 4.171 4.350 0.000 0.000 0.191 458 E C 1.915 178.585 176.600 0.116 0.000 0.985 458 E CA 1.742 58.297 56.400 0.258 0.000 0.801 458 E CB 0.070 29.963 29.700 0.321 0.000 0.750 458 E HN 0.365 nan 8.360 nan 0.000 0.452 459 T N 1.065 115.671 114.554 0.087 0.000 2.708 459 T HA -0.116 4.234 4.350 0.000 0.000 0.266 459 T C 1.893 176.629 174.700 0.060 0.000 1.037 459 T CA 1.757 63.912 62.100 0.092 0.000 1.146 459 T CB -0.358 68.577 68.868 0.112 0.000 0.865 459 T HN 0.336 nan 8.240 nan 0.000 0.435 460 A N 0.964 123.787 122.820 0.006 0.000 1.883 460 A HA -0.076 4.244 4.320 0.000 0.000 0.217 460 A C 2.601 180.145 177.584 -0.067 0.000 1.186 460 A CA 1.549 53.553 52.037 -0.055 0.000 0.624 460 A CB -1.103 17.841 19.000 -0.094 0.000 0.822 460 A HN 0.351 nan 8.150 nan 0.000 0.444 461 V N -0.134 119.767 119.914 -0.022 0.000 2.343 461 V HA -0.246 3.874 4.120 0.000 0.000 0.247 461 V C 2.641 178.746 176.094 0.018 0.000 1.051 461 V CA 2.236 64.536 62.300 0.001 0.000 1.036 461 V CB -0.787 31.069 31.823 0.055 0.000 0.654 461 V HN 0.593 nan 8.190 nan 0.000 0.451 462 R N -0.398 120.129 120.500 0.045 0.000 2.096 462 R HA -0.094 4.246 4.340 0.000 0.000 0.235 462 R C 2.063 178.402 176.300 0.066 0.000 1.127 462 R CA 1.415 57.551 56.100 0.061 0.000 0.968 462 R CB -0.152 30.195 30.300 0.078 0.000 0.861 462 R HN 0.450 nan 8.270 nan 0.000 0.440 463 L N 0.208 121.466 121.223 0.059 0.000 2.558 463 L HA 0.076 4.416 4.340 0.000 0.000 0.225 463 L C 0.428 177.311 176.870 0.020 0.000 1.128 463 L CA 0.330 55.231 54.840 0.101 0.000 0.868 463 L CB 0.062 42.221 42.059 0.166 0.000 1.006 463 L HN 0.126 nan 8.230 nan 0.000 0.454 464 K N 0.009 120.368 120.400 -0.069 0.000 3.071 464 K HA -0.178 4.142 4.320 0.000 0.000 0.265 464 K C 0.306 176.652 176.600 -0.423 0.000 1.060 464 K CA 0.315 56.532 56.287 -0.116 0.000 0.767 464 K CB -1.548 30.963 32.500 0.017 0.000 1.241 464 K HN 0.359 nan 8.250 nan 0.000 0.486 465 A N 1.359 123.754 122.820 -0.709 0.000 2.492 465 A HA 0.127 4.447 4.320 0.000 0.000 0.254 465 A C 0.527 177.458 177.584 -1.088 0.000 1.091 465 A CA -0.023 51.052 52.037 -1.603 0.000 0.768 465 A CB 0.184 18.630 19.000 -0.923 0.000 1.028 465 A HN 0.357 nan 8.150 nan 0.000 0.498 466 N N 2.455 120.350 118.700 -1.343 0.000 3.178 466 N HA 0.291 5.031 4.740 0.000 0.000 0.300 466 N C -0.945 174.395 175.510 -0.284 0.000 1.242 466 N CA 0.153 52.934 53.050 -0.447 0.000 1.192 466 N CB -0.193 38.288 38.487 -0.009 0.000 1.463 466 N HN 0.294 nan 8.380 nan 0.000 0.539 467 V N 2.166 121.929 119.914 -0.252 0.000 2.513 467 V HA 0.427 4.547 4.120 0.000 0.000 0.299 467 V C -0.348 175.741 176.094 -0.009 0.000 1.035 467 V CA -1.058 61.195 62.300 -0.079 0.000 0.889 467 V CB 1.696 33.484 31.823 -0.059 0.000 0.988 467 V HN 0.235 nan 8.190 nan 0.000 0.440 468 L N 4.616 125.857 121.223 0.031 0.000 2.294 468 L HA 0.592 4.932 4.340 0.000 0.000 0.283 468 L C -0.691 176.212 176.870 0.055 0.000 1.015 468 L CA -0.196 54.666 54.840 0.036 0.000 0.831 468 L CB 0.981 43.042 42.059 0.004 0.000 1.217 468 L HN 0.771 nan 8.230 nan 0.000 0.420 469 H N 4.748 123.816 119.070 -0.004 0.000 2.488 469 H HA 0.625 5.181 4.556 0.000 0.000 0.322 469 H C -1.266 174.018 175.328 -0.074 0.000 1.078 469 H CA -0.402 55.636 56.048 -0.017 0.000 1.260 469 H CB 1.004 30.781 29.762 0.025 0.000 1.425 469 H HN 0.686 nan 8.280 nan 0.000 0.471 470 L N 6.898 127.795 121.223 -0.543 0.000 2.307 470 L HA 0.408 4.748 4.340 0.000 0.000 0.284 470 L C -0.466 176.143 176.870 -0.435 0.000 1.023 470 L CA -0.686 53.949 54.840 -0.343 0.000 0.810 470 L CB 1.536 43.492 42.059 -0.171 0.000 1.231 470 L HN 0.602 nan 8.230 nan 0.000 0.423 471 I N 1.416 121.796 120.570 -0.317 0.000 2.355 471 I HA 0.215 4.385 4.170 0.000 0.000 0.288 471 I C -1.016 174.996 176.117 -0.174 0.000 0.999 471 I CA -0.403 60.684 61.300 -0.354 0.000 1.163 471 I CB 1.348 38.903 38.000 -0.742 0.000 1.316 471 I HN 0.487 nan 8.210 nan 0.000 0.454 472 W N 6.420 127.474 121.300 -0.410 0.000 2.387 472 W HA 0.393 5.053 4.660 -0.000 0.000 0.310 472 W C -0.343 176.047 176.519 -0.216 0.000 1.181 472 W CA -0.513 56.656 57.345 -0.293 0.000 1.333 472 W CB 0.775 30.111 29.460 -0.208 0.000 1.286 472 W HN 0.081 nan 8.180 nan 0.000 0.455 473 V N 5.595 125.478 119.914 -0.051 0.000 2.370 473 V HA 0.185 4.305 4.120 0.000 0.000 0.279 473 V C 0.535 176.616 176.094 -0.022 0.000 1.029 473 V CA -0.432 61.871 62.300 0.005 0.000 0.870 473 V CB 1.487 33.335 31.823 0.041 0.000 0.984 473 V HN 0.631 nan 8.190 nan 0.000 0.451 474 D N 2.839 123.273 120.400 0.058 0.000 2.525 474 D HA 0.007 4.647 4.640 0.000 0.000 0.231 474 D C 0.259 176.538 176.300 -0.034 0.000 1.216 474 D CA -0.270 53.736 54.000 0.009 0.000 0.813 474 D CB 0.162 41.051 40.800 0.149 0.000 1.108 474 D HN 0.462 nan 8.370 nan 0.000 0.524 475 N N 0.512 119.217 118.700 0.007 0.000 2.758 475 N HA -0.079 4.661 4.740 0.000 0.000 0.248 475 N C 0.125 175.061 175.510 -0.957 0.000 1.076 475 N CA 1.490 54.466 53.050 -0.124 0.000 0.696 475 N CB -1.354 37.115 38.487 -0.031 0.000 0.979 475 N HN 0.715 nan 8.380 nan 0.000 0.550 476 G N -1.441 106.625 108.800 -1.223 0.000 2.356 476 G HA2 0.389 4.349 3.960 0.000 0.000 0.294 476 G HA3 0.389 4.349 3.960 0.000 0.000 0.294 476 G C -1.554 173.029 174.900 -0.528 0.000 1.423 476 G CA -1.000 43.250 45.100 -1.416 0.000 0.806 476 G HN 0.084 nan 8.290 nan 0.000 0.527 477 Y N 2.273 122.496 120.300 -0.128 0.000 2.714 477 Y HA 0.200 4.750 4.550 -0.000 0.000 0.333 477 Y C 1.889 177.795 175.900 0.010 0.000 1.220 477 Y CA -0.534 57.607 58.100 0.069 0.000 1.513 477 Y CB 0.629 39.154 38.460 0.107 0.000 1.435 477 Y HN 0.635 nan 8.280 nan 0.000 0.489 478 N N 2.475 121.264 118.700 0.149 0.000 2.120 478 N HA -0.221 4.519 4.740 0.000 0.000 0.188 478 N C 1.909 177.382 175.510 -0.061 0.000 1.024 478 N CA 1.293 54.354 53.050 0.018 0.000 0.852 478 N CB 0.089 38.527 38.487 -0.082 0.000 1.003 478 N HN 0.687 nan 8.380 nan 0.000 0.424 479 M N 0.564 120.126 119.600 -0.062 0.000 2.202 479 M HA -0.122 4.358 4.480 0.000 0.000 0.262 479 M C 1.658 177.913 176.300 -0.076 0.000 1.063 479 M CA 1.144 56.373 55.300 -0.119 0.000 1.097 479 M CB 0.230 32.738 32.600 -0.154 0.000 1.382 479 M HN -0.016 nan 8.290 nan 0.000 0.413 480 V N -0.186 119.720 119.914 -0.014 0.000 2.649 480 V HA -0.076 4.044 4.120 0.000 0.000 0.248 480 V C 2.509 178.613 176.094 0.017 0.000 1.054 480 V CA 1.406 63.704 62.300 -0.004 0.000 1.073 480 V CB -1.033 30.801 31.823 0.018 0.000 0.699 480 V HN 0.571 nan 8.190 nan 0.000 0.463 481 A N 1.310 124.149 122.820 0.033 0.000 1.902 481 A HA -0.169 4.151 4.320 0.000 0.000 0.217 481 A C 2.125 179.709 177.584 -0.001 0.000 1.181 481 A CA 1.983 54.037 52.037 0.030 0.000 0.623 481 A CB -0.586 18.431 19.000 0.029 0.000 0.818 481 A HN 0.680 nan 8.150 nan 0.000 0.443 482 I N -3.015 117.535 120.570 -0.034 0.000 2.676 482 I HA -0.209 3.961 4.170 0.000 0.000 0.259 482 I C 2.011 178.089 176.117 -0.064 0.000 1.194 482 I CA 1.537 62.808 61.300 -0.049 0.000 1.473 482 I CB -0.540 37.414 38.000 -0.076 0.000 1.096 482 I HN 0.324 nan 8.210 nan 0.000 0.443 483 Q N 1.445 121.205 119.800 -0.067 0.000 2.163 483 Q HA -0.080 4.260 4.340 0.000 0.000 0.198 483 Q C 2.013 177.939 176.000 -0.123 0.000 0.954 483 Q CA 1.242 56.989 55.803 -0.094 0.000 0.851 483 Q CB -0.029 28.660 28.738 -0.081 0.000 0.928 483 Q HN 0.624 nan 8.270 nan 0.000 0.459 484 E N 1.112 121.287 120.200 -0.042 0.000 2.106 484 E HA -0.210 4.140 4.350 0.000 0.000 0.192 484 E C 1.853 178.431 176.600 -0.037 0.000 0.984 484 E CA 0.832 57.245 56.400 0.021 0.000 0.806 484 E CB 0.037 29.840 29.700 0.172 0.000 0.750 484 E HN 0.339 nan 8.360 nan 0.000 0.458 485 E N 1.540 121.727 120.200 -0.021 0.000 2.077 485 E HA -0.232 4.118 4.350 0.000 0.000 0.193 485 E C 2.124 178.683 176.600 -0.068 0.000 0.989 485 E CA 1.074 57.464 56.400 -0.017 0.000 0.800 485 E CB 0.065 29.763 29.700 -0.004 0.000 0.746 485 E HN 0.024 nan 8.360 nan 0.000 0.452 486 K N 0.415 120.750 120.400 -0.108 0.000 2.148 486 K HA -0.148 4.172 4.320 0.000 0.000 0.204 486 K C 1.717 178.196 176.600 -0.202 0.000 1.050 486 K CA 1.251 57.464 56.287 -0.124 0.000 0.942 486 K CB 0.155 32.586 32.500 -0.115 0.000 0.724 486 K HN 0.003 nan 8.250 nan 0.000 0.446 487 K N -1.138 119.033 120.400 -0.383 0.000 2.276 487 K HA 0.009 4.329 4.320 0.000 0.000 0.198 487 K C 1.032 177.256 176.600 -0.627 0.000 1.052 487 K CA 0.730 56.633 56.287 -0.640 0.000 0.984 487 K CB 0.349 32.194 32.500 -1.092 0.000 0.836 487 K HN 0.212 nan 8.250 nan 0.000 0.490 488 Y N 0.152 120.450 120.300 -0.003 0.000 2.471 488 Y HA 0.192 4.742 4.550 0.000 0.000 0.249 488 Y C -0.117 175.784 175.900 0.002 0.000 1.116 488 Y CA -0.654 57.446 58.100 -0.001 0.000 1.240 488 Y CB 0.626 39.086 38.460 -0.001 0.000 1.251 488 Y HN -0.083 nan 8.280 nan 0.000 0.527 489 Q N 1.228 121.076 119.800 0.080 0.000 2.481 489 Q HA -0.231 4.109 4.340 0.000 0.000 0.272 489 Q C -0.496 175.549 176.000 0.076 0.000 1.157 489 Q CA 1.088 56.925 55.803 0.057 0.000 0.935 489 Q CB -1.646 27.119 28.738 0.044 0.000 1.338 489 Q HN 0.725 nan 8.270 nan 0.000 0.494 490 R N -1.454 119.111 120.500 0.109 0.000 2.664 490 R HA 0.734 5.074 4.340 0.000 0.000 0.266 490 R C -1.338 175.024 176.300 0.104 0.000 1.046 490 R CA -1.109 55.044 56.100 0.088 0.000 0.885 490 R CB 1.154 31.499 30.300 0.075 0.000 1.254 490 R HN 0.009 nan 8.270 nan 0.000 0.465 491 L N 1.468 122.733 121.223 0.070 0.000 2.331 491 L HA 0.688 5.028 4.340 0.000 0.000 0.275 491 L C -0.345 176.559 176.870 0.057 0.000 1.022 491 L CA -0.957 53.925 54.840 0.069 0.000 0.812 491 L CB 2.105 44.192 42.059 0.047 0.000 1.257 491 L HN 0.964 nan 8.230 nan 0.000 0.435 492 S N -0.588 115.152 115.700 0.066 0.000 2.614 492 S HA 0.591 5.061 4.470 0.000 0.000 0.275 492 S C 0.281 174.926 174.600 0.075 0.000 1.161 492 S CA -0.149 58.082 58.200 0.051 0.000 0.969 492 S CB 1.657 64.870 63.200 0.022 0.000 1.059 492 S HN 1.111 nan 8.310 nan 0.000 0.482 493 G N 1.328 110.177 108.800 0.082 0.000 2.203 493 G HA2 -0.264 3.696 3.960 0.000 0.000 0.263 493 G HA3 -0.264 3.696 3.960 0.000 0.000 0.263 493 G C 0.496 175.524 174.900 0.212 0.000 1.012 493 G CA 0.696 45.874 45.100 0.130 0.000 0.749 493 G HN 2.082 nan 8.290 nan 0.000 0.512 494 V N -3.722 116.282 119.914 0.150 0.000 3.380 494 V HA 0.573 4.693 4.120 0.000 0.000 0.307 494 V C 0.347 176.391 176.094 -0.082 0.000 1.434 494 V CA 0.364 62.760 62.300 0.161 0.000 1.075 494 V CB 0.254 32.153 31.823 0.128 0.000 0.954 494 V HN 0.342 nan 8.190 nan 0.000 0.444 495 E N 1.454 121.599 120.200 -0.092 0.000 2.210 495 E HA 0.704 5.054 4.350 0.000 0.000 0.266 495 E C -1.189 175.331 176.600 -0.134 0.000 0.883 495 E CA -0.656 55.604 56.400 -0.233 0.000 0.761 495 E CB 2.286 31.920 29.700 -0.109 0.000 1.156 495 E HN 0.499 nan 8.360 nan 0.000 0.412 496 F N -0.569 119.330 119.950 -0.084 0.000 2.706 496 F HA 0.784 5.311 4.527 -0.000 0.000 0.328 496 F C 0.424 176.196 175.800 -0.046 0.000 1.123 496 F CA -1.407 56.548 58.000 -0.074 0.000 0.978 496 F CB 0.018 38.943 39.000 -0.125 0.000 1.404 496 F HN 0.405 nan 8.300 nan 0.000 0.497 497 G N 0.247 109.231 108.800 0.307 0.000 2.599 497 G HA2 0.549 4.509 3.960 0.000 0.000 0.264 497 G HA3 0.549 4.509 3.960 0.000 0.000 0.264 497 G C -2.745 172.267 174.900 0.188 0.000 1.200 497 G CA -1.368 43.833 45.100 0.168 0.000 0.896 497 G HN 0.648 nan 8.290 nan 0.000 0.536 498 P HA 0.441 nan 4.420 nan 0.000 0.278 498 P C -0.781 176.470 177.300 -0.082 0.000 1.266 498 P CA -0.351 62.773 63.100 0.040 0.000 0.807 498 P CB 1.592 33.305 31.700 0.022 0.000 1.094 499 M N 0.081 119.539 119.600 -0.236 0.000 2.531 499 M HA 0.227 4.707 4.480 0.000 0.000 0.286 499 M C -0.821 175.184 176.300 -0.493 0.000 1.232 499 M CA -0.634 54.384 55.300 -0.470 0.000 0.877 499 M CB 2.495 34.561 32.600 -0.889 0.000 1.726 499 M HN 0.215 nan 8.290 nan 0.000 0.463 500 D N 1.282 121.493 120.400 -0.314 0.000 2.468 500 D HA 0.252 4.893 4.640 0.000 0.000 0.218 500 D C 0.081 176.322 176.300 -0.099 0.000 1.155 500 D CA 0.059 53.978 54.000 -0.136 0.000 0.924 500 D CB 0.158 40.937 40.800 -0.035 0.000 1.029 500 D HN 0.407 nan 8.370 nan 0.000 0.515 501 F N 1.950 121.949 119.950 0.081 0.000 2.234 501 F HA -0.048 4.479 4.527 0.000 0.000 0.299 501 F C 2.483 178.377 175.800 0.156 0.000 1.087 501 F CA 0.551 58.614 58.000 0.104 0.000 1.340 501 F CB 0.117 39.088 39.000 -0.048 0.000 1.031 501 F HN 0.299 nan 8.300 nan 0.000 0.500 502 K N 0.936 121.487 120.400 0.253 0.000 2.026 502 K HA -0.182 4.138 4.320 0.000 0.000 0.208 502 K C 2.247 178.932 176.600 0.143 0.000 1.048 502 K CA 1.390 57.771 56.287 0.156 0.000 0.929 502 K CB -0.319 32.227 32.500 0.077 0.000 0.713 502 K HN 0.197 nan 8.250 nan 0.000 0.439 503 A N 0.152 123.049 122.820 0.128 0.000 1.969 503 A HA -0.158 4.162 4.320 0.000 0.000 0.218 503 A C 2.013 179.696 177.584 0.165 0.000 1.169 503 A CA 1.152 53.249 52.037 0.100 0.000 0.635 503 A CB -0.783 18.252 19.000 0.058 0.000 0.810 503 A HN 0.590 nan 8.150 nan 0.000 0.445 504 Y N 0.707 121.090 120.300 0.139 0.000 2.097 504 Y HA -0.155 4.395 4.550 -0.000 0.000 0.282 504 Y C 2.674 178.810 175.900 0.394 0.000 1.152 504 Y CA 1.624 59.870 58.100 0.243 0.000 1.136 504 Y CB -0.522 38.133 38.460 0.324 0.000 0.975 504 Y HN 0.311 nan 8.280 nan 0.000 0.498 505 A N 0.420 123.546 122.820 0.509 0.000 1.858 505 A HA -0.224 4.096 4.320 0.000 0.000 0.216 505 A C 2.040 179.790 177.584 0.277 0.000 1.190 505 A CA 1.983 54.256 52.037 0.393 0.000 0.617 505 A CB -0.835 18.341 19.000 0.294 0.000 0.827 505 A HN 0.655 nan 8.150 nan 0.000 0.443 506 E N 0.448 120.745 120.200 0.162 0.000 2.265 506 E HA -0.150 4.200 4.350 0.000 0.000 0.196 506 E C 2.136 178.773 176.600 0.062 0.000 0.996 506 E CA 1.198 57.647 56.400 0.082 0.000 0.832 506 E CB -0.259 29.452 29.700 0.019 0.000 0.756 506 E HN 0.801 nan 8.360 nan 0.000 0.491 507 S N 0.088 115.809 115.700 0.035 0.000 2.474 507 S HA -0.095 4.375 4.470 0.000 0.000 0.235 507 S C 1.550 176.051 174.600 -0.165 0.000 0.997 507 S CA 0.540 58.675 58.200 -0.108 0.000 0.949 507 S CB -0.289 62.769 63.200 -0.236 0.000 0.766 507 S HN 0.158 nan 8.310 nan 0.000 0.517 508 F N 1.633 121.524 119.950 -0.098 0.000 2.619 508 F HA 0.400 4.927 4.527 0.000 0.000 0.293 508 F C 2.109 177.884 175.800 -0.040 0.000 1.119 508 F CA 0.365 58.320 58.000 -0.076 0.000 1.445 508 F CB 0.013 38.973 39.000 -0.066 0.000 1.119 508 F HN 0.428 nan 8.300 nan 0.000 0.573 509 G N 0.008 108.898 108.800 0.149 0.000 2.168 509 G HA2 -0.020 3.940 3.960 0.000 0.000 0.197 509 G HA3 -0.020 3.940 3.960 0.000 0.000 0.197 509 G C 0.156 175.101 174.900 0.075 0.000 0.997 509 G CA -0.255 44.894 45.100 0.081 0.000 0.658 509 G HN 0.570 nan 8.290 nan 0.000 0.513 510 A N -0.018 122.862 122.820 0.101 0.000 2.269 510 A HA 0.776 5.096 4.320 0.000 0.000 0.319 510 A C 0.325 177.941 177.584 0.054 0.000 1.110 510 A CA -0.509 51.569 52.037 0.069 0.000 0.847 510 A CB 0.748 19.784 19.000 0.061 0.000 1.161 510 A HN 0.135 nan 8.150 nan 0.000 0.497 511 K N 0.847 121.280 120.400 0.056 0.000 2.297 511 K HA 0.410 4.730 4.320 0.000 0.000 0.286 511 K C 0.211 176.812 176.600 0.002 0.000 1.053 511 K CA 0.224 56.512 56.287 0.002 0.000 0.940 511 K CB 0.856 33.425 32.500 0.115 0.000 1.019 511 K HN 0.777 nan 8.250 nan 0.000 0.475 512 G N 2.237 110.921 108.800 -0.192 0.000 2.420 512 G HA2 0.740 4.700 3.960 0.000 0.000 0.331 512 G HA3 0.740 4.700 3.960 0.000 0.000 0.331 512 G C -1.214 173.452 174.900 -0.391 0.000 1.168 512 G CA -0.462 44.583 45.100 -0.091 0.000 0.936 512 G HN 0.324 nan 8.290 nan 0.000 0.479 513 F N -0.182 119.795 119.950 0.045 0.000 2.613 513 F HA 0.719 5.246 4.527 0.000 0.000 0.310 513 F C 0.132 175.950 175.800 0.030 0.000 1.085 513 F CA -0.928 57.088 58.000 0.026 0.000 0.945 513 F CB 2.846 41.848 39.000 0.002 0.000 1.298 513 F HN 0.692 nan 8.300 nan 0.000 0.455 514 A N 1.696 124.646 122.820 0.217 0.000 2.446 514 A HA 0.668 4.988 4.320 0.000 0.000 0.282 514 A C -1.390 176.266 177.584 0.120 0.000 1.102 514 A CA -0.693 51.433 52.037 0.148 0.000 0.737 514 A CB 0.623 19.703 19.000 0.133 0.000 1.212 514 A HN 0.526 nan 8.150 nan 0.000 0.434 515 V N 2.981 122.954 119.914 0.097 0.000 2.540 515 V HA 0.042 4.162 4.120 0.000 0.000 0.297 515 V C 0.898 177.077 176.094 0.142 0.000 1.024 515 V CA 0.798 63.148 62.300 0.083 0.000 1.105 515 V CB 0.377 32.234 31.823 0.058 0.000 0.938 515 V HN 0.985 nan 8.190 nan 0.000 0.482 516 E N 2.540 122.709 120.200 -0.052 0.000 2.526 516 E HA 0.196 4.546 4.350 0.000 0.000 0.208 516 E C 0.287 176.215 176.600 -1.120 0.000 0.997 516 E CA 0.250 56.458 56.400 -0.320 0.000 0.961 516 E CB 0.844 30.426 29.700 -0.196 0.000 1.030 516 E HN 0.826 nan 8.360 nan 0.000 0.483 517 S N -1.594 113.642 115.700 -0.773 0.000 2.578 517 S HA 0.493 4.963 4.470 0.000 0.000 0.272 517 S C 0.531 175.030 174.600 -0.167 0.000 1.145 517 S CA -0.365 57.400 58.200 -0.725 0.000 0.835 517 S CB 1.220 64.148 63.200 -0.454 0.000 1.104 517 S HN -0.038 nan 8.310 nan 0.000 0.458 518 A N 1.229 124.036 122.820 -0.021 0.000 1.908 518 A HA -0.038 4.282 4.320 0.000 0.000 0.218 518 A C 1.766 179.318 177.584 -0.053 0.000 1.181 518 A CA 2.206 54.247 52.037 0.006 0.000 0.627 518 A CB -1.340 17.668 19.000 0.012 0.000 0.818 518 A HN 0.913 nan 8.150 nan 0.000 0.445 519 E N 0.037 120.193 120.200 -0.073 0.000 2.171 519 E HA -0.115 4.235 4.350 0.000 0.000 0.197 519 E C 1.971 178.527 176.600 -0.073 0.000 0.997 519 E CA 1.391 57.747 56.400 -0.072 0.000 0.810 519 E CB -0.442 29.213 29.700 -0.075 0.000 0.738 519 E HN 0.619 nan 8.360 nan 0.000 0.467 520 A N -0.043 122.727 122.820 -0.084 0.000 2.169 520 A HA 0.034 4.354 4.320 0.000 0.000 0.212 520 A C 1.866 179.407 177.584 -0.071 0.000 1.153 520 A CA 0.192 52.186 52.037 -0.072 0.000 0.756 520 A CB -0.300 18.655 19.000 -0.074 0.000 0.813 520 A HN 0.225 nan 8.150 nan 0.000 0.471 521 L N 0.539 121.717 121.223 -0.075 0.000 1.944 521 L HA -0.206 4.134 4.340 0.000 0.000 0.218 521 L C 2.168 178.974 176.870 -0.107 0.000 1.075 521 L CA 2.759 57.543 54.840 -0.093 0.000 0.767 521 L CB -0.905 41.092 42.059 -0.104 0.000 0.890 521 L HN 0.409 nan 8.230 nan 0.000 0.434 522 E N -0.265 119.876 120.200 -0.097 0.000 2.049 522 E HA -0.193 4.157 4.350 0.000 0.000 0.198 522 E C -0.147 176.394 176.600 -0.099 0.000 1.007 522 E CA 2.173 58.516 56.400 -0.095 0.000 0.809 522 E CB -1.792 27.860 29.700 -0.080 0.000 0.749 522 E HN 0.465 nan 8.360 nan 0.000 0.450 523 P HA -0.130 nan 4.420 nan 0.000 0.215 523 P C 1.143 178.370 177.300 -0.123 0.000 1.153 523 P CA 1.704 64.754 63.100 -0.082 0.000 0.853 523 P CB -0.032 31.633 31.700 -0.058 0.000 0.788 524 T N -0.249 114.219 114.554 -0.144 0.000 2.737 524 T HA -0.084 4.266 4.350 0.000 0.000 0.265 524 T C 1.764 176.233 174.700 -0.386 0.000 1.038 524 T CA 1.045 62.992 62.100 -0.254 0.000 1.144 524 T CB -0.951 67.818 68.868 -0.166 0.000 0.866 524 T HN 0.049 nan 8.240 nan 0.000 0.434 525 L N 0.459 121.529 121.223 -0.254 0.000 2.083 525 L HA -0.105 4.235 4.340 0.000 0.000 0.209 525 L C 2.875 179.622 176.870 -0.205 0.000 1.083 525 L CA 1.201 55.904 54.840 -0.229 0.000 0.752 525 L CB -0.438 41.532 42.059 -0.147 0.000 0.899 525 L HN 0.128 nan 8.230 nan 0.000 0.433 526 R N 0.634 121.035 120.500 -0.164 0.000 2.066 526 R HA -0.101 4.239 4.340 0.000 0.000 0.232 526 R C 2.259 178.480 176.300 -0.131 0.000 1.131 526 R CA 1.757 57.787 56.100 -0.117 0.000 0.955 526 R CB -0.680 29.569 30.300 -0.085 0.000 0.851 526 R HN 0.297 nan 8.270 nan 0.000 0.432 527 A N 0.055 122.767 122.820 -0.179 0.000 1.933 527 A HA -0.010 4.310 4.320 0.000 0.000 0.218 527 A C 2.325 179.782 177.584 -0.213 0.000 1.175 527 A CA 1.718 53.665 52.037 -0.149 0.000 0.628 527 A CB -0.962 17.970 19.000 -0.114 0.000 0.814 527 A HN 0.466 nan 8.150 nan 0.000 0.444 528 A N -1.097 121.439 122.820 -0.474 0.000 1.930 528 A HA -0.081 4.239 4.320 0.000 0.000 0.217 528 A C 2.158 179.663 177.584 -0.131 0.000 1.175 528 A CA 1.827 53.619 52.037 -0.408 0.000 0.627 528 A CB -0.446 18.206 19.000 -0.580 0.000 0.815 528 A HN 0.403 nan 8.150 nan 0.000 0.443 529 M N 0.128 119.656 119.600 -0.120 0.000 2.159 529 M HA -0.115 4.365 4.480 0.000 0.000 0.263 529 M C 0.954 177.246 176.300 -0.014 0.000 1.063 529 M CA 1.358 56.629 55.300 -0.048 0.000 1.110 529 M CB -1.242 31.333 32.600 -0.043 0.000 1.374 529 M HN 0.342 nan 8.290 nan 0.000 0.411 530 D N -0.063 120.326 120.400 -0.019 0.000 2.348 530 D HA 0.003 4.643 4.640 0.000 0.000 0.216 530 D C 0.481 176.800 176.300 0.032 0.000 0.970 530 D CA 0.190 54.195 54.000 0.009 0.000 0.889 530 D CB 0.042 40.845 40.800 0.006 0.000 0.912 530 D HN 0.106 nan 8.370 nan 0.000 0.524 531 V N 1.844 121.783 119.914 0.042 0.000 2.599 531 V HA -0.084 4.036 4.120 0.000 0.000 0.300 531 V C 0.476 176.601 176.094 0.052 0.000 1.034 531 V CA -0.044 62.299 62.300 0.071 0.000 1.115 531 V CB 0.942 32.837 31.823 0.120 0.000 0.934 531 V HN -0.035 nan 8.190 nan 0.000 0.485 532 D N 4.032 124.463 120.400 0.051 0.000 2.483 532 D HA 0.532 5.172 4.640 0.000 0.000 0.220 532 D C 0.344 176.661 176.300 0.028 0.000 1.173 532 D CA 1.381 55.410 54.000 0.047 0.000 0.964 532 D CB 0.081 40.914 40.800 0.054 0.000 1.046 532 D HN 0.903 nan 8.370 nan 0.000 0.517 533 G N 2.994 111.791 108.800 -0.004 0.000 2.357 533 G HA2 0.028 3.988 3.960 0.000 0.000 0.289 533 G HA3 0.028 3.988 3.960 0.000 0.000 0.289 533 G C -3.026 171.833 174.900 -0.068 0.000 1.302 533 G CA -1.019 44.047 45.100 -0.056 0.000 0.936 533 G HN 0.206 nan 8.290 nan 0.000 0.513 534 P HA 0.512 nan 4.420 nan 0.000 0.271 534 P C -0.325 176.992 177.300 0.027 0.000 1.216 534 P CA 0.590 63.656 63.100 -0.057 0.000 0.771 534 P CB 1.551 33.201 31.700 -0.083 0.000 0.864 535 A N 3.024 125.882 122.820 0.064 0.000 2.539 535 A HA 0.676 4.996 4.320 0.000 0.000 0.296 535 A C -1.305 176.372 177.584 0.155 0.000 1.073 535 A CA -0.624 51.502 52.037 0.148 0.000 0.700 535 A CB 1.679 20.801 19.000 0.203 0.000 1.296 535 A HN 0.290 nan 8.150 nan 0.000 0.405 536 V N 1.137 121.174 119.914 0.205 0.000 2.638 536 V HA 0.584 4.704 4.120 0.000 0.000 0.306 536 V C -0.810 175.391 176.094 0.180 0.000 1.052 536 V CA -0.547 61.847 62.300 0.155 0.000 0.885 536 V CB 1.758 33.659 31.823 0.131 0.000 0.999 536 V HN 0.732 nan 8.190 nan 0.000 0.424 537 V N 3.655 123.601 119.914 0.054 0.000 2.407 537 V HA 0.725 4.845 4.120 0.000 0.000 0.291 537 V C 0.369 176.413 176.094 -0.084 0.000 1.018 537 V CA -0.617 61.706 62.300 0.037 0.000 0.842 537 V CB 1.741 33.531 31.823 -0.054 0.000 0.996 537 V HN 0.999 nan 8.190 nan 0.000 0.426 538 A N 6.609 129.401 122.820 -0.046 0.000 2.320 538 A HA 0.818 5.138 4.320 0.000 0.000 0.287 538 A C -0.374 177.154 177.584 -0.092 0.000 1.181 538 A CA -0.211 51.752 52.037 -0.122 0.000 0.831 538 A CB 0.095 19.119 19.000 0.039 0.000 1.102 538 A HN 0.805 nan 8.150 nan 0.000 0.513 539 I N 4.313 124.774 120.570 -0.182 0.000 2.437 539 I HA 0.248 4.418 4.170 0.000 0.000 0.279 539 I C -2.536 173.416 176.117 -0.275 0.000 1.028 539 I CA -2.052 59.110 61.300 -0.229 0.000 1.142 539 I CB 1.981 39.747 38.000 -0.390 0.000 1.266 539 I HN 0.377 nan 8.210 nan 0.000 0.461 540 P HA 0.011 nan 4.420 nan 0.000 0.264 540 P C -0.564 176.458 177.300 -0.463 0.000 1.193 540 P CA 0.155 63.066 63.100 -0.315 0.000 0.763 540 P CB 0.996 32.451 31.700 -0.409 0.000 0.810 541 V N 3.250 122.885 119.914 -0.465 0.000 2.769 541 V HA 0.427 4.547 4.120 0.000 0.000 0.312 541 V C -1.000 174.780 176.094 -0.523 0.000 1.061 541 V CA -0.729 61.216 62.300 -0.592 0.000 0.931 541 V CB 2.188 33.550 31.823 -0.768 0.000 1.010 541 V HN 0.347 nan 8.190 nan 0.000 0.433 542 D N 4.091 124.216 120.400 -0.458 0.000 2.443 542 D HA 0.257 4.897 4.640 0.000 0.000 0.221 542 D C -0.050 176.134 176.300 -0.194 0.000 1.097 542 D CA 0.080 53.915 54.000 -0.275 0.000 0.865 542 D CB 0.637 41.311 40.800 -0.210 0.000 1.034 542 D HN 0.623 nan 8.370 nan 0.000 0.511 543 Y N 2.332 122.602 120.300 -0.049 0.000 2.470 543 Y HA 0.126 4.676 4.550 -0.000 0.000 0.302 543 Y C 2.069 178.008 175.900 0.066 0.000 1.194 543 Y CA -0.434 57.692 58.100 0.044 0.000 1.271 543 Y CB 0.459 38.987 38.460 0.114 0.000 1.092 543 Y HN 0.234 nan 8.280 nan 0.000 0.513 544 R N -0.050 120.545 120.500 0.160 0.000 2.152 544 R HA -0.148 4.192 4.340 0.000 0.000 0.232 544 R C 0.780 177.177 176.300 0.161 0.000 1.117 544 R CA 1.322 57.501 56.100 0.131 0.000 0.981 544 R CB -0.040 30.309 30.300 0.082 0.000 0.870 544 R HN 0.326 nan 8.270 nan 0.000 0.451 545 D N -0.117 120.403 120.400 0.199 0.000 2.340 545 D HA -0.020 4.620 4.640 0.000 0.000 0.220 545 D C 1.032 177.541 176.300 0.348 0.000 1.039 545 D CA 0.284 54.452 54.000 0.280 0.000 0.866 545 D CB -0.112 40.917 40.800 0.381 0.000 0.913 545 D HN 0.077 nan 8.370 nan 0.000 0.523 546 N N 1.076 120.001 118.700 0.374 0.000 2.132 546 N HA -0.153 4.587 4.740 0.000 0.000 0.191 546 N C -1.069 174.490 175.510 0.082 0.000 1.015 546 N CA 1.108 54.322 53.050 0.274 0.000 0.864 546 N CB -1.312 37.284 38.487 0.181 0.000 1.006 546 N HN 0.282 nan 8.380 nan 0.000 0.430 547 P HA -0.108 nan 4.420 nan 0.000 0.216 547 P C 1.565 178.881 177.300 0.028 0.000 1.150 547 P CA 0.872 63.993 63.100 0.035 0.000 0.843 547 P CB -0.009 31.719 31.700 0.047 0.000 0.787 548 L N -1.745 119.518 121.223 0.068 0.000 2.042 548 L HA -0.184 4.156 4.340 0.000 0.000 0.210 548 L C 2.364 179.229 176.870 -0.009 0.000 1.076 548 L CA 1.181 56.057 54.840 0.059 0.000 0.749 548 L CB -1.065 41.072 42.059 0.131 0.000 0.893 548 L HN 0.042 nan 8.230 nan 0.000 0.432 549 L N -0.569 120.596 121.223 -0.096 0.000 2.056 549 L HA -0.153 4.187 4.340 0.000 0.000 0.207 549 L C 2.455 179.240 176.870 -0.140 0.000 1.078 549 L CA 1.653 56.339 54.840 -0.256 0.000 0.749 549 L CB -0.378 41.230 42.059 -0.751 0.000 0.901 549 L HN 0.144 nan 8.230 nan 0.000 0.433 550 M N -0.479 119.050 119.600 -0.118 0.000 2.358 550 M HA -0.010 4.470 4.480 0.000 0.000 0.264 550 M C 2.150 178.429 176.300 -0.035 0.000 1.064 550 M CA 1.199 56.451 55.300 -0.080 0.000 1.093 550 M CB -2.209 30.343 32.600 -0.080 0.000 1.401 550 M HN 0.414 nan 8.290 nan 0.000 0.440 551 G N -0.309 108.479 108.800 -0.021 0.000 2.559 551 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 551 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 551 G C 1.474 176.383 174.900 0.015 0.000 1.126 551 G CA 0.191 45.291 45.100 -0.001 0.000 0.778 551 G HN 0.547 nan 8.290 nan 0.000 0.543 552 Q N -0.618 119.199 119.800 0.029 0.000 2.319 552 Q HA 0.313 4.653 4.340 0.000 0.000 0.202 552 Q C 0.569 176.650 176.000 0.135 0.000 0.896 552 Q CA -0.347 55.502 55.803 0.077 0.000 0.942 552 Q CB 0.418 29.192 28.738 0.060 0.000 1.083 552 Q HN 0.370 nan 8.270 nan 0.000 0.510 553 L N 0.433 121.688 121.223 0.053 0.000 2.453 553 L HA 0.153 4.493 4.340 0.000 0.000 0.261 553 L C 0.686 177.556 176.870 -0.001 0.000 1.179 553 L CA -0.325 54.481 54.840 -0.057 0.000 0.813 553 L CB 0.414 42.409 42.059 -0.106 0.000 1.110 553 L HN 0.216 nan 8.230 nan 0.000 0.466 554 H N 0.000 119.044 119.070 -0.044 0.000 2.539 554 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 554 H CA 0.000 56.049 56.048 0.001 0.000 1.023 554 H CB 0.000 29.778 29.762 0.026 0.000 1.292 554 H HN 0.000 nan 8.280 nan 0.000 0.496