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 2ber_1_A DATA FIRST_RESID 47 DATA SEQUENCE GEPLYTEQDL AVNGREGFPN YRIPALTVTP DGDLLASYDG RPTGIDAPGP DATA SEQUENCE NSILQRRSTD GGRTWGEQQV VSAGQTTAPI KGFSDPSYLV DRETGTIFNF DATA SEQUENCE HVYSQRQGFA GSRPGTDPAD PNVLHANVAT STDGGLTWSH RTITADITPD DATA SEQUENCE PGWRSRFAAS GEGIQLRYGP HAGRLIQQYT IINAAGAFQA VSVYSDDHGR DATA SEQUENCE TWRAGEAVGV GMDENKTVEL SDGRVLLNSR DSARSGYRKV AVSTDGGHSY DATA SEQUENCE GPVTIDRDLP DPTNNASIIR AFPDAPAGSA RAKVLLFSNA ASQTSRSQGT DATA SEQUENCE IRMScDDGQT WPVSKVFQPG SMSGSTLTAL PDGTYGLLYE PGTGIRYANF DATA SEQUENCE NLAWLGGIcA PFTIPDVALE PGQQVTVPVA VTNQSGIAVP KPSLQLDASP DATA SEQUENCE DWQVQGSVEP LMPGRQAKGQ VTITVPAGTT PGRYRVGATL RTSAGNASTT DATA SEQUENCE FTVTVGLLDQ ARMSIADVDS EETAREDGRA SNVIDGNPST FWHTEWSRAD DATA SEQUENCE APGYPHRISL DLGGTHTISG LQYTRRQNSA NEQVADYEIY TSLNGTTWDG DATA SEQUENCE PVASGRFTTS LAPQRAVFPA RDARYIRLVA LSEQTGHKYA AVAELEVEGQ DATA SEQUENCE R 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 47 G HA2 0.000 nan 3.960 nan 0.000 0.244 47 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 47 G C 0.000 174.962 174.900 0.103 0.000 0.946 47 G CA 0.000 45.160 45.100 0.099 0.000 0.502 48 E N 2.055 122.315 120.200 0.100 0.000 2.259 48 E HA 0.515 4.870 4.350 0.008 0.000 0.281 48 E C -1.980 174.710 176.600 0.150 0.000 1.037 48 E CA -1.593 54.872 56.400 0.109 0.000 0.854 48 E CB 1.128 30.882 29.700 0.090 0.000 1.051 48 E HN 0.205 nan 8.360 nan 0.000 0.409 49 P HA 0.032 nan 4.420 nan 0.000 0.265 49 P C -1.201 176.264 177.300 0.276 0.000 1.193 49 P CA -0.087 63.182 63.100 0.282 0.000 0.765 49 P CB 0.398 32.277 31.700 0.298 0.000 0.823 50 L N 5.288 126.698 121.223 0.311 0.000 2.381 50 L HA 0.639 4.984 4.340 0.008 0.000 0.274 50 L C -1.746 175.217 176.870 0.155 0.000 0.988 50 L CA -0.785 54.172 54.840 0.194 0.000 0.824 50 L CB 1.392 43.517 42.059 0.110 0.000 1.263 50 L HN 0.296 nan 8.230 nan 0.000 0.410 51 Y N 3.767 124.010 120.300 -0.096 0.000 2.362 51 Y HA 0.661 5.216 4.550 0.009 0.000 0.326 51 Y C -0.935 174.873 175.900 -0.154 0.000 1.083 51 Y CA -0.109 57.795 58.100 -0.327 0.000 1.073 51 Y CB 1.825 39.811 38.460 -0.791 0.000 1.211 51 Y HN 0.799 nan 8.280 nan 0.000 0.433 52 T N 2.273 116.444 114.554 -0.639 0.000 2.903 52 T HA 0.819 5.174 4.350 0.008 0.000 0.299 52 T C -1.266 173.156 174.700 -0.463 0.000 1.093 52 T CA -0.905 60.993 62.100 -0.336 0.000 1.002 52 T CB 2.502 71.280 68.868 -0.150 0.000 1.127 52 T HN 0.691 nan 8.240 nan 0.000 0.488 53 E N 1.121 121.213 120.200 -0.181 0.000 2.413 53 E HA 0.629 4.984 4.350 0.008 0.000 0.277 53 E C -1.504 175.074 176.600 -0.037 0.000 0.958 53 E CA -1.248 55.071 56.400 -0.136 0.000 0.779 53 E CB 2.043 31.709 29.700 -0.057 0.000 1.278 53 E HN 0.907 nan 8.360 nan 0.000 0.456 54 Q N 0.820 120.597 119.800 -0.039 0.000 2.353 54 Q HA 0.381 4.726 4.340 0.008 0.000 0.275 54 Q C -1.536 174.386 176.000 -0.130 0.000 1.029 54 Q CA -1.040 54.740 55.803 -0.038 0.000 0.848 54 Q CB 1.734 30.492 28.738 0.033 0.000 1.390 54 Q HN 0.385 nan 8.270 nan 0.000 0.401 55 D N 2.470 122.781 120.400 -0.149 0.000 2.390 55 D HA 0.144 4.789 4.640 0.008 0.000 0.249 55 D C 0.532 176.657 176.300 -0.293 0.000 1.144 55 D CA 0.119 53.983 54.000 -0.227 0.000 0.880 55 D CB 1.424 42.119 40.800 -0.175 0.000 1.182 55 D HN 0.566 nan 8.370 nan 0.000 0.451 56 L N 0.524 121.492 121.223 -0.425 0.000 2.470 56 L HA 0.269 4.614 4.340 0.008 0.000 0.219 56 L C 0.761 177.329 176.870 -0.505 0.000 1.071 56 L CA 0.259 54.796 54.840 -0.505 0.000 0.850 56 L CB 0.274 41.924 42.059 -0.682 0.000 1.040 56 L HN 0.312 nan 8.230 nan 0.000 0.475 57 A N 0.111 122.564 122.820 -0.613 0.000 2.459 57 A HA 0.663 4.987 4.320 0.008 0.000 0.296 57 A C -1.241 176.068 177.584 -0.459 0.000 1.039 57 A CA -0.302 51.283 52.037 -0.754 0.000 0.698 57 A CB 1.859 20.004 19.000 -1.425 0.000 1.261 57 A HN -0.167 nan 8.150 nan 0.000 0.405 58 V N 3.576 123.353 119.914 -0.229 0.000 2.407 58 V HA 0.257 4.382 4.120 0.008 0.000 0.291 58 V C -0.323 175.901 176.094 0.216 0.000 1.018 58 V CA -1.163 61.128 62.300 -0.014 0.000 0.842 58 V CB 1.480 33.290 31.823 -0.023 0.000 0.996 58 V HN 0.891 nan 8.190 nan 0.000 0.426 59 N N 3.531 122.377 118.700 0.243 0.000 2.219 59 N HA 0.059 4.804 4.740 0.008 0.000 0.263 59 N C 1.356 176.953 175.510 0.146 0.000 1.269 59 N CA 1.596 54.779 53.050 0.221 0.000 0.831 59 N CB 0.679 39.224 38.487 0.097 0.000 1.059 59 N HN 1.212 nan 8.380 nan 0.000 0.475 60 G N 1.078 109.952 108.800 0.123 0.000 2.159 60 G HA2 -0.272 3.693 3.960 0.008 0.000 0.256 60 G HA3 -0.272 3.693 3.960 0.008 0.000 0.256 60 G C -0.102 174.861 174.900 0.104 0.000 0.977 60 G CA 0.010 45.156 45.100 0.077 0.000 0.652 60 G HN 0.562 nan 8.290 nan 0.000 0.531 61 R N -0.179 120.434 120.500 0.189 0.000 2.740 61 R HA 0.621 4.966 4.340 0.008 0.000 0.282 61 R C 0.581 177.041 176.300 0.267 0.000 0.969 61 R CA -0.498 55.700 56.100 0.163 0.000 0.918 61 R CB 1.125 31.487 30.300 0.103 0.000 1.175 61 R HN 0.203 nan 8.270 nan 0.000 0.464 62 E N 0.223 120.531 120.200 0.181 0.000 3.547 62 E HA -0.188 4.167 4.350 0.008 0.000 0.309 62 E C 0.517 177.260 176.600 0.238 0.000 0.855 62 E CA 1.285 57.804 56.400 0.198 0.000 1.122 62 E CB -1.480 28.343 29.700 0.204 0.000 1.569 62 E HN 1.133 nan 8.360 nan 0.000 0.429 63 G N -0.901 107.970 108.800 0.117 0.000 2.205 63 G HA2 -0.159 3.806 3.960 0.008 0.000 0.180 63 G HA3 -0.159 3.806 3.960 0.008 0.000 0.180 63 G C -0.151 174.417 174.900 -0.555 0.000 1.004 63 G CA -0.139 44.847 45.100 -0.191 0.000 0.670 63 G HN 0.109 nan 8.290 nan 0.000 0.496 64 F N 0.041 119.959 119.950 -0.054 0.000 2.578 64 F HA 0.572 5.104 4.527 0.007 0.000 0.311 64 F C -1.548 174.069 175.800 -0.304 0.000 1.094 64 F CA -1.936 55.897 58.000 -0.278 0.000 0.923 64 F CB 2.403 41.029 39.000 -0.623 0.000 1.230 64 F HN -0.169 nan 8.300 nan 0.000 0.450 65 P HA -0.062 nan 4.420 nan 0.000 0.236 65 P C -0.595 176.650 177.300 -0.091 0.000 1.177 65 P CA 0.935 64.000 63.100 -0.058 0.000 0.773 65 P CB 0.679 32.356 31.700 -0.038 0.000 0.878 66 N N -0.900 117.677 118.700 -0.204 0.000 2.371 66 N HA 0.186 4.930 4.740 0.008 0.000 0.280 66 N C -1.952 173.345 175.510 -0.356 0.000 1.084 66 N CA -0.341 52.605 53.050 -0.173 0.000 0.892 66 N CB 1.557 39.992 38.487 -0.087 0.000 1.653 66 N HN -0.284 nan 8.380 nan 0.000 0.480 67 Y N 1.512 121.804 120.300 -0.012 0.000 2.406 67 Y HA 0.572 5.127 4.550 0.007 0.000 0.340 67 Y C 0.173 176.041 175.900 -0.053 0.000 0.975 67 Y CA -0.603 57.475 58.100 -0.037 0.000 1.056 67 Y CB 1.880 40.287 38.460 -0.088 0.000 1.210 67 Y HN 0.309 nan 8.280 nan 0.000 0.448 68 R N 2.405 122.977 120.500 0.121 0.000 2.752 68 R HA 0.634 4.979 4.340 0.008 0.000 0.271 68 R C -1.709 174.638 176.300 0.078 0.000 1.026 68 R CA -1.144 54.991 56.100 0.059 0.000 0.901 68 R CB 2.378 32.691 30.300 0.020 0.000 1.243 68 R HN 0.606 nan 8.270 nan 0.000 0.463 69 I N -0.301 120.302 120.570 0.054 0.000 6.421 69 I HA -0.108 4.066 4.170 0.008 0.000 0.126 69 I C -2.591 173.573 176.117 0.078 0.000 1.825 69 I CA -0.538 60.793 61.300 0.051 0.000 2.037 69 I CB -1.811 36.204 38.000 0.025 0.000 3.486 69 I HN 0.506 nan 8.210 nan 0.000 0.169 70 P HA 0.584 nan 4.420 nan 0.000 0.284 70 P C -0.465 176.896 177.300 0.101 0.000 1.253 70 P CA -0.073 63.090 63.100 0.107 0.000 0.800 70 P CB 2.266 34.018 31.700 0.088 0.000 0.961 71 A N 3.093 125.993 122.820 0.133 0.000 2.422 71 A HA 0.732 5.057 4.320 0.008 0.000 0.302 71 A C -1.678 176.122 177.584 0.360 0.000 1.041 71 A CA -0.653 51.482 52.037 0.163 0.000 0.708 71 A CB 1.213 20.187 19.000 -0.044 0.000 1.257 71 A HN 0.524 nan 8.150 nan 0.000 0.414 72 L N 1.165 122.639 121.223 0.419 0.000 2.482 72 L HA 0.885 5.230 4.340 0.008 0.000 0.263 72 L C -0.343 176.697 176.870 0.282 0.000 0.957 72 L CA 0.395 55.458 54.840 0.372 0.000 0.836 72 L CB 2.321 44.550 42.059 0.283 0.000 1.324 72 L HN 0.941 nan 8.230 nan 0.000 0.406 73 T N 2.468 117.070 114.554 0.081 0.000 2.762 73 T HA 0.751 5.106 4.350 0.008 0.000 0.301 73 T C -1.866 172.788 174.700 -0.077 0.000 1.299 73 T CA -0.349 61.737 62.100 -0.024 0.000 1.005 73 T CB 1.483 70.283 68.868 -0.114 0.000 1.377 73 T HN 0.366 nan 8.240 nan 0.000 0.504 74 V N 2.986 122.866 119.914 -0.057 0.000 2.487 74 V HA 0.554 4.679 4.120 0.008 0.000 0.298 74 V C 0.778 176.825 176.094 -0.078 0.000 1.028 74 V CA -0.743 61.516 62.300 -0.069 0.000 0.860 74 V CB 1.481 33.279 31.823 -0.042 0.000 0.991 74 V HN 1.125 nan 8.190 nan 0.000 0.427 75 T N 2.675 117.167 114.554 -0.103 0.000 2.828 75 T HA 0.299 4.654 4.350 0.008 0.000 0.290 75 T C -1.630 173.028 174.700 -0.069 0.000 1.019 75 T CA -1.538 60.505 62.100 -0.096 0.000 1.031 75 T CB 1.225 70.022 68.868 -0.117 0.000 1.001 75 T HN 0.421 nan 8.240 nan 0.000 0.531 76 P HA -0.053 nan 4.420 nan 0.000 0.218 76 P C 0.669 177.935 177.300 -0.056 0.000 1.146 76 P CA 0.993 64.065 63.100 -0.047 0.000 0.813 76 P CB 0.002 31.673 31.700 -0.048 0.000 0.778 77 D N -2.290 118.067 120.400 -0.072 0.000 2.328 77 D HA 0.162 4.806 4.640 0.008 0.000 0.221 77 D C 1.531 177.782 176.300 -0.081 0.000 1.072 77 D CA 0.794 54.749 54.000 -0.074 0.000 0.850 77 D CB -0.234 40.517 40.800 -0.081 0.000 0.922 77 D HN 0.146 nan 8.370 nan 0.000 0.516 78 G N 0.993 109.743 108.800 -0.084 0.000 2.175 78 G HA2 -0.227 3.738 3.960 0.008 0.000 0.244 78 G HA3 -0.227 3.738 3.960 0.008 0.000 0.244 78 G C -0.119 174.706 174.900 -0.124 0.000 0.982 78 G CA -0.334 44.711 45.100 -0.093 0.000 0.641 78 G HN 0.208 nan 8.290 nan 0.000 0.527 79 D N 0.296 120.616 120.400 -0.134 0.000 2.345 79 D HA 0.498 5.143 4.640 0.008 0.000 0.247 79 D C 0.586 176.778 176.300 -0.179 0.000 1.108 79 D CA -0.074 53.822 54.000 -0.174 0.000 0.894 79 D CB 1.194 41.901 40.800 -0.154 0.000 1.203 79 D HN 0.112 nan 8.370 nan 0.000 0.430 80 L N 2.127 123.200 121.223 -0.250 0.000 2.292 80 L HA 0.347 4.692 4.340 0.008 0.000 0.284 80 L C -0.144 176.670 176.870 -0.093 0.000 1.065 80 L CA -0.147 54.580 54.840 -0.189 0.000 0.806 80 L CB 0.726 42.613 42.059 -0.286 0.000 1.175 80 L HN 0.151 nan 8.230 nan 0.000 0.431 81 L N 3.354 124.567 121.223 -0.017 0.000 2.341 81 L HA 0.806 5.151 4.340 0.008 0.000 0.278 81 L C -0.229 176.806 176.870 0.274 0.000 1.005 81 L CA -0.697 54.192 54.840 0.082 0.000 0.818 81 L CB 1.797 43.748 42.059 -0.180 0.000 1.259 81 L HN 0.689 nan 8.230 nan 0.000 0.418 82 A N 2.311 125.380 122.820 0.416 0.000 2.304 82 A HA 0.718 5.043 4.320 0.008 0.000 0.314 82 A C -0.517 177.288 177.584 0.368 0.000 1.187 82 A CA -0.373 51.885 52.037 0.368 0.000 0.810 82 A CB 1.670 20.728 19.000 0.098 0.000 1.183 82 A HN 0.567 nan 8.150 nan 0.000 0.487 83 S N 1.394 117.290 115.700 0.326 0.000 2.566 83 S HA 0.951 5.425 4.470 0.008 0.000 0.298 83 S C -1.146 173.471 174.600 0.028 0.000 1.083 83 S CA -0.428 57.748 58.200 -0.040 0.000 0.978 83 S CB 0.972 63.984 63.200 -0.314 0.000 1.073 83 S HN 1.348 nan 8.310 nan 0.000 0.491 84 Y N -0.700 119.535 120.300 -0.108 0.000 2.732 84 Y HA 0.501 5.056 4.550 0.008 0.000 0.342 84 Y C -1.459 174.372 175.900 -0.115 0.000 1.203 84 Y CA -1.393 56.652 58.100 -0.092 0.000 1.092 84 Y CB -0.091 38.327 38.460 -0.069 0.000 1.345 84 Y HN 0.365 nan 8.280 nan 0.000 0.458 85 D N 1.022 121.447 120.400 0.042 0.000 2.350 85 D HA 0.449 5.094 4.640 0.008 0.000 0.249 85 D C 0.103 176.362 176.300 -0.068 0.000 1.119 85 D CA 0.582 54.539 54.000 -0.070 0.000 0.886 85 D CB 1.489 42.257 40.800 -0.053 0.000 1.195 85 D HN 0.962 nan 8.370 nan 0.000 0.437 86 G N 1.804 110.341 108.800 -0.437 0.000 2.332 86 G HA2 0.478 4.443 3.960 0.008 0.000 0.310 86 G HA3 0.478 4.443 3.960 0.008 0.000 0.310 86 G C -0.306 174.258 174.900 -0.559 0.000 1.123 86 G CA -0.756 43.726 45.100 -1.029 0.000 0.873 86 G HN 0.299 nan 8.290 nan 0.000 0.460 87 R N 3.391 123.727 120.500 -0.274 0.000 2.363 87 R HA 0.208 4.553 4.340 0.008 0.000 0.297 87 R C -2.083 174.266 176.300 0.081 0.000 1.208 87 R CA -1.535 54.535 56.100 -0.051 0.000 1.121 87 R CB 2.440 32.691 30.300 -0.081 0.000 1.124 87 R HN 0.308 nan 8.270 nan 0.000 0.561 88 P HA -0.143 nan 4.420 nan 0.000 0.221 88 P C 0.918 178.231 177.300 0.022 0.000 1.145 88 P CA 1.361 64.522 63.100 0.102 0.000 0.795 88 P CB 0.383 32.130 31.700 0.079 0.000 0.775 89 T N -6.823 107.737 114.554 0.010 0.000 3.145 89 T HA 0.449 4.804 4.350 0.008 0.000 0.281 89 T C 1.239 175.928 174.700 -0.019 0.000 1.003 89 T CA 0.133 62.227 62.100 -0.010 0.000 0.901 89 T CB -0.474 68.386 68.868 -0.013 0.000 1.112 89 T HN 0.170 nan 8.240 nan 0.000 0.535 90 G N 2.281 111.067 108.800 -0.022 0.000 2.225 90 G HA2 -0.237 3.727 3.960 0.008 0.000 0.267 90 G HA3 -0.237 3.727 3.960 0.008 0.000 0.267 90 G C 0.003 174.882 174.900 -0.034 0.000 1.024 90 G CA 0.669 45.750 45.100 -0.032 0.000 0.784 90 G HN 1.155 nan 8.290 nan 0.000 0.507 91 I N -4.204 116.343 120.570 -0.037 0.000 3.042 91 I HA 0.751 4.926 4.170 0.008 0.000 0.310 91 I C -0.235 175.848 176.117 -0.056 0.000 1.117 91 I CA -1.659 59.616 61.300 -0.043 0.000 1.003 91 I CB 1.494 39.470 38.000 -0.040 0.000 1.228 91 I HN -0.162 nan 8.210 nan 0.000 0.443 92 D N 2.179 122.538 120.400 -0.069 0.000 2.369 92 D HA 0.287 4.932 4.640 0.008 0.000 0.241 92 D C 0.368 176.611 176.300 -0.095 0.000 1.271 92 D CA 0.144 54.086 54.000 -0.097 0.000 0.942 92 D CB 0.624 41.347 40.800 -0.129 0.000 1.129 92 D HN 0.862 nan 8.370 nan 0.000 0.476 93 A N 1.406 124.156 122.820 -0.117 0.000 2.603 93 A HA 0.116 4.441 4.320 0.008 0.000 0.235 93 A C -1.548 175.979 177.584 -0.095 0.000 1.035 93 A CA -0.432 51.540 52.037 -0.109 0.000 0.755 93 A CB -0.198 18.727 19.000 -0.125 0.000 0.954 93 A HN 0.391 nan 8.150 nan 0.000 0.511 94 P HA 0.151 nan 4.420 nan 0.000 0.243 94 P C 0.600 177.855 177.300 -0.076 0.000 1.672 94 P CA 0.241 63.286 63.100 -0.093 0.000 1.000 94 P CB -0.235 31.408 31.700 -0.095 0.000 1.562 95 G N 2.987 111.749 108.800 -0.065 0.000 2.484 95 G HA2 0.072 4.037 3.960 0.008 0.000 0.235 95 G HA3 0.072 4.037 3.960 0.008 0.000 0.235 95 G C -1.839 173.035 174.900 -0.042 0.000 1.282 95 G CA -0.848 44.224 45.100 -0.046 0.000 0.857 95 G HN 0.131 nan 8.290 nan 0.000 0.571 96 P HA 0.034 nan 4.420 nan 0.000 0.232 96 P C -0.494 176.831 177.300 0.043 0.000 1.738 96 P CA -0.352 62.750 63.100 0.003 0.000 0.948 96 P CB -0.076 31.635 31.700 0.018 0.000 1.943 97 N N 0.392 119.098 118.700 0.011 0.000 2.513 97 N HA 0.197 4.942 4.740 0.008 0.000 0.274 97 N C 0.264 175.811 175.510 0.063 0.000 1.189 97 N CA 0.030 53.089 53.050 0.014 0.000 0.975 97 N CB 0.552 39.016 38.487 -0.038 0.000 1.157 97 N HN 0.107 nan 8.380 nan 0.000 0.465 98 S N 0.696 116.393 115.700 -0.006 0.000 2.537 98 S HA 0.508 4.983 4.470 0.008 0.000 0.301 98 S C 0.031 174.520 174.600 -0.185 0.000 1.092 98 S CA -0.760 57.420 58.200 -0.034 0.000 1.048 98 S CB 1.132 64.334 63.200 0.003 0.000 1.053 98 S HN 0.272 nan 8.310 nan 0.000 0.501 99 I N 3.256 123.679 120.570 -0.244 0.000 2.325 99 I HA 0.328 4.503 4.170 0.008 0.000 0.291 99 I C -0.187 175.694 176.117 -0.393 0.000 1.019 99 I CA -0.101 60.968 61.300 -0.385 0.000 1.302 99 I CB -0.104 37.533 38.000 -0.604 0.000 1.401 99 I HN 0.449 nan 8.210 nan 0.000 0.485 100 L N 5.863 126.798 121.223 -0.480 0.000 2.322 100 L HA 0.613 4.958 4.340 0.008 0.000 0.269 100 L C -0.154 176.389 176.870 -0.545 0.000 1.012 100 L CA -0.729 53.805 54.840 -0.510 0.000 0.815 100 L CB 1.887 43.544 42.059 -0.671 0.000 1.295 100 L HN 0.542 nan 8.230 nan 0.000 0.438 101 Q N 1.438 121.051 119.800 -0.312 0.000 2.309 101 Q HA 0.489 4.833 4.340 0.008 0.000 0.273 101 Q C -1.666 174.358 176.000 0.040 0.000 1.040 101 Q CA -0.776 54.967 55.803 -0.100 0.000 0.834 101 Q CB 2.639 31.426 28.738 0.082 0.000 1.345 101 Q HN 0.606 nan 8.270 nan 0.000 0.414 102 R N 1.954 122.556 120.500 0.170 0.000 2.711 102 R HA 0.580 4.925 4.340 0.008 0.000 0.284 102 R C -0.775 175.758 176.300 0.388 0.000 0.968 102 R CA -0.867 55.396 56.100 0.271 0.000 0.924 102 R CB 2.249 32.722 30.300 0.288 0.000 1.162 102 R HN 0.509 nan 8.270 nan 0.000 0.465 103 R N 0.811 121.489 120.500 0.297 0.000 2.562 103 R HA 0.333 4.678 4.340 0.008 0.000 0.298 103 R C -1.211 174.995 176.300 -0.156 0.000 0.961 103 R CA -0.292 55.870 56.100 0.102 0.000 0.881 103 R CB 2.028 32.342 30.300 0.024 0.000 1.159 103 R HN 0.565 nan 8.270 nan 0.000 0.450 104 S N 1.330 116.647 115.700 -0.638 0.000 2.449 104 S HA 0.197 4.671 4.470 0.008 0.000 0.310 104 S C 0.558 174.844 174.600 -0.523 0.000 1.096 104 S CA -0.551 57.097 58.200 -0.919 0.000 1.095 104 S CB 1.380 63.481 63.200 -1.832 0.000 1.007 104 S HN 0.717 nan 8.310 nan 0.000 0.474 105 T N 0.195 114.529 114.554 -0.367 0.000 3.105 105 T HA 0.205 4.559 4.350 0.008 0.000 0.253 105 T C 0.020 174.587 174.700 -0.221 0.000 1.047 105 T CA 0.012 61.963 62.100 -0.247 0.000 0.944 105 T CB -0.325 68.441 68.868 -0.169 0.000 1.016 105 T HN 0.637 nan 8.240 nan 0.000 0.544 106 D N 0.044 120.282 120.400 -0.270 0.000 2.804 106 D HA 0.361 5.005 4.640 0.008 0.000 0.308 106 D C 1.234 177.410 176.300 -0.208 0.000 1.371 106 D CA -0.455 53.423 54.000 -0.204 0.000 0.823 106 D CB -0.261 40.439 40.800 -0.168 0.000 1.126 106 D HN 0.307 nan 8.370 nan 0.000 0.467 107 G N -0.375 108.282 108.800 -0.239 0.000 2.160 107 G HA2 -0.009 3.956 3.960 0.008 0.000 0.251 107 G HA3 -0.009 3.956 3.960 0.008 0.000 0.251 107 G C 1.133 175.911 174.900 -0.202 0.000 1.008 107 G CA 0.325 45.311 45.100 -0.191 0.000 0.724 107 G HN 1.511 nan 8.290 nan 0.000 0.514 108 G N -1.527 107.026 108.800 -0.412 0.000 2.159 108 G HA2 -0.244 3.721 3.960 0.008 0.000 0.227 108 G HA3 -0.244 3.721 3.960 0.008 0.000 0.227 108 G C 1.016 175.839 174.900 -0.128 0.000 0.986 108 G CA 1.037 45.875 45.100 -0.437 0.000 0.651 108 G HN 0.872 nan 8.290 nan 0.000 0.523 109 R N 0.246 120.647 120.500 -0.166 0.000 2.073 109 R HA 0.191 4.536 4.340 0.008 0.000 0.229 109 R C 1.433 177.733 176.300 -0.000 0.000 1.120 109 R CA 1.773 57.859 56.100 -0.023 0.000 0.967 109 R CB -0.048 30.227 30.300 -0.042 0.000 0.862 109 R HN 0.656 nan 8.270 nan 0.000 0.436 110 T N -3.252 111.187 114.554 -0.192 0.000 2.900 110 T HA 0.496 4.851 4.350 0.008 0.000 0.303 110 T C -1.463 173.037 174.700 -0.334 0.000 1.142 110 T CA -0.933 61.127 62.100 -0.066 0.000 1.007 110 T CB 1.689 70.532 68.868 -0.042 0.000 1.156 110 T HN 0.120 nan 8.240 nan 0.000 0.490 111 W N 0.171 121.434 121.300 -0.062 0.000 2.915 111 W HA 0.699 5.364 4.660 0.009 0.000 0.337 111 W C 0.594 177.091 176.519 -0.037 0.000 1.102 111 W CA -0.607 56.699 57.345 -0.065 0.000 1.224 111 W CB 2.118 31.531 29.460 -0.077 0.000 1.416 111 W HN 1.189 nan 8.180 nan 0.000 0.503 112 G N 0.533 109.438 108.800 0.176 0.000 2.508 112 G HA2 0.373 4.337 3.960 0.008 0.000 0.278 112 G HA3 0.373 4.337 3.960 0.008 0.000 0.278 112 G C -0.277 174.699 174.900 0.127 0.000 1.389 112 G CA -0.698 44.464 45.100 0.103 0.000 1.050 112 G HN 0.549 nan 8.290 nan 0.000 0.522 113 E N -0.642 119.612 120.200 0.089 0.000 2.398 113 E HA 0.053 4.407 4.350 0.008 0.000 0.263 113 E C -0.073 176.587 176.600 0.100 0.000 1.046 113 E CA -0.296 56.155 56.400 0.086 0.000 0.908 113 E CB 0.709 30.448 29.700 0.066 0.000 0.963 113 E HN 0.417 nan 8.360 nan 0.000 0.431 114 Q N 2.182 122.042 119.800 0.100 0.000 2.262 114 Q HA -0.013 4.331 4.340 0.008 0.000 0.272 114 Q C -0.757 175.292 176.000 0.081 0.000 1.076 114 Q CA 0.328 56.190 55.803 0.098 0.000 0.905 114 Q CB 0.595 29.409 28.738 0.127 0.000 1.182 114 Q HN 0.475 nan 8.270 nan 0.000 0.390 115 Q N 1.988 121.821 119.800 0.055 0.000 2.297 115 Q HA 0.523 4.867 4.340 0.008 0.000 0.268 115 Q C -1.166 174.840 176.000 0.010 0.000 1.045 115 Q CA -1.042 54.794 55.803 0.055 0.000 0.861 115 Q CB 2.356 31.142 28.738 0.081 0.000 1.344 115 Q HN 0.430 nan 8.270 nan 0.000 0.452 116 V N 2.334 122.259 119.914 0.018 0.000 2.350 116 V HA 0.060 4.185 4.120 0.008 0.000 0.276 116 V C 0.861 176.915 176.094 -0.067 0.000 1.028 116 V CA -0.050 62.229 62.300 -0.035 0.000 0.860 116 V CB 1.134 32.959 31.823 0.004 0.000 0.990 116 V HN 0.733 nan 8.190 nan 0.000 0.453 117 V N 3.609 123.406 119.914 -0.195 0.000 2.302 117 V HA -0.009 4.115 4.120 0.008 0.000 0.243 117 V C 0.899 176.824 176.094 -0.282 0.000 1.036 117 V CA 1.308 63.398 62.300 -0.350 0.000 1.020 117 V CB 0.052 31.455 31.823 -0.699 0.000 0.657 117 V HN 0.810 nan 8.190 nan 0.000 0.453 118 S N -0.142 115.322 115.700 -0.394 0.000 2.647 118 S HA 0.758 5.232 4.470 0.008 0.000 0.300 118 S C -0.356 174.016 174.600 -0.379 0.000 1.129 118 S CA -0.375 57.483 58.200 -0.571 0.000 1.029 118 S CB 1.653 64.294 63.200 -0.931 0.000 1.007 118 S HN 0.496 nan 8.310 nan 0.000 0.484 119 A N 2.632 125.277 122.820 -0.292 0.000 2.276 119 A HA 0.742 5.067 4.320 0.008 0.000 0.300 119 A C 0.771 178.473 177.584 0.196 0.000 1.235 119 A CA -0.446 51.578 52.037 -0.022 0.000 0.867 119 A CB 0.016 19.004 19.000 -0.020 0.000 1.137 119 A HN 0.890 nan 8.150 nan 0.000 0.527 120 G N 0.644 109.607 108.800 0.270 0.000 2.667 120 G HA2 0.448 4.413 3.960 0.008 0.000 0.250 120 G HA3 0.448 4.413 3.960 0.008 0.000 0.250 120 G C -0.155 174.848 174.900 0.172 0.000 1.212 120 G CA -0.224 45.038 45.100 0.271 0.000 0.874 120 G HN 0.850 nan 8.290 nan 0.000 0.561 121 Q N -1.346 118.530 119.800 0.127 0.000 2.310 121 Q HA 0.361 4.706 4.340 0.008 0.000 0.270 121 Q C 0.877 176.907 176.000 0.050 0.000 1.025 121 Q CA -0.445 55.407 55.803 0.083 0.000 0.772 121 Q CB 1.323 30.113 28.738 0.086 0.000 1.253 121 Q HN 0.602 nan 8.270 nan 0.000 0.450 122 T N -0.795 113.780 114.554 0.036 0.000 3.067 122 T HA 0.036 4.391 4.350 0.008 0.000 0.257 122 T C 1.071 175.776 174.700 0.010 0.000 1.105 122 T CA 1.083 63.194 62.100 0.019 0.000 1.104 122 T CB 0.060 68.933 68.868 0.009 0.000 0.925 122 T HN 0.668 nan 8.240 nan 0.000 0.498 123 T N 0.324 114.886 114.554 0.013 0.000 2.292 123 T HA 0.732 5.087 4.350 0.008 0.000 0.205 123 T C 0.250 174.959 174.700 0.016 0.000 0.863 123 T CA -0.216 61.891 62.100 0.010 0.000 1.243 123 T CB 0.257 69.130 68.868 0.008 0.000 3.036 123 T HN 0.319 nan 8.240 nan 0.000 0.446 124 A N 3.184 126.015 122.820 0.018 0.000 2.253 124 A HA 0.680 5.004 4.320 0.008 0.000 0.316 124 A C -2.259 175.343 177.584 0.030 0.000 1.327 124 A CA -1.514 50.535 52.037 0.020 0.000 0.917 124 A CB -0.384 18.625 19.000 0.015 0.000 1.162 124 A HN 0.679 nan 8.150 nan 0.000 0.535 125 P HA 0.381 nan 4.420 nan 0.000 0.281 125 P C -0.392 176.929 177.300 0.034 0.000 1.249 125 P CA -0.370 62.749 63.100 0.032 0.000 0.810 125 P CB 0.838 32.563 31.700 0.043 0.000 1.008 126 I N 1.747 122.326 120.570 0.015 0.000 2.556 126 I HA 0.086 4.261 4.170 0.008 0.000 0.284 126 I C 0.981 177.100 176.117 0.003 0.000 1.114 126 I CA 0.534 61.838 61.300 0.006 0.000 1.418 126 I CB 0.050 38.042 38.000 -0.014 0.000 1.394 126 I HN 0.190 nan 8.210 nan 0.000 0.552 127 K N 3.957 124.364 120.400 0.012 0.000 2.469 127 K HA 0.738 5.062 4.320 0.008 0.000 0.254 127 K C -0.535 175.988 176.600 -0.128 0.000 0.939 127 K CA -0.753 55.518 56.287 -0.027 0.000 0.812 127 K CB 2.434 35.005 32.500 0.119 0.000 1.301 127 K HN 0.727 nan 8.250 nan 0.000 0.433 128 G N 1.397 109.993 108.800 -0.340 0.000 2.620 128 G HA2 0.735 4.700 3.960 0.008 0.000 0.301 128 G HA3 0.735 4.700 3.960 0.008 0.000 0.301 128 G C -1.668 172.845 174.900 -0.645 0.000 1.347 128 G CA -0.512 44.401 45.100 -0.311 0.000 0.971 128 G HN 0.319 nan 8.290 nan 0.000 0.488 129 F N 0.674 120.650 119.950 0.045 0.000 2.536 129 F HA 0.750 5.282 4.527 0.008 0.000 0.322 129 F C 0.341 176.104 175.800 -0.063 0.000 1.144 129 F CA -0.773 57.245 58.000 0.031 0.000 0.924 129 F CB 2.789 41.734 39.000 -0.092 0.000 1.181 129 F HN 0.503 nan 8.300 nan 0.000 0.438 130 S N 1.546 117.314 115.700 0.113 0.000 2.537 130 S HA 0.580 5.054 4.470 0.008 0.000 0.270 130 S C -1.844 172.793 174.600 0.061 0.000 1.142 130 S CA -0.610 57.603 58.200 0.023 0.000 0.870 130 S CB 1.070 64.252 63.200 -0.030 0.000 1.112 130 S HN 0.660 nan 8.310 nan 0.000 0.466 131 D N 1.671 122.080 120.400 0.016 0.000 3.293 131 D HA -0.064 4.581 4.640 0.008 0.000 0.252 131 D C -2.721 173.609 176.300 0.052 0.000 1.073 131 D CA 0.555 54.578 54.000 0.037 0.000 0.957 131 D CB -0.470 40.377 40.800 0.078 0.000 0.987 131 D HN 0.345 nan 8.370 nan 0.000 0.422 132 P HA 0.296 nan 4.420 nan 0.000 0.278 132 P C -0.547 176.722 177.300 -0.053 0.000 1.238 132 P CA -0.311 62.759 63.100 -0.050 0.000 0.794 132 P CB 1.728 33.298 31.700 -0.216 0.000 0.955 133 S N 2.305 117.995 115.700 -0.017 0.000 2.672 133 S HA 0.444 4.919 4.470 0.008 0.000 0.291 133 S C -1.173 173.504 174.600 0.128 0.000 1.145 133 S CA -0.596 57.624 58.200 0.033 0.000 1.013 133 S CB 0.163 63.371 63.200 0.013 0.000 1.017 133 S HN 0.236 nan 8.310 nan 0.000 0.487 134 Y N 3.410 123.830 120.300 0.199 0.000 2.336 134 Y HA 0.562 5.117 4.550 0.008 0.000 0.331 134 Y C 0.263 176.343 175.900 0.300 0.000 1.211 134 Y CA -0.388 57.860 58.100 0.246 0.000 1.346 134 Y CB 1.007 39.590 38.460 0.204 0.000 1.271 134 Y HN 0.568 nan 8.280 nan 0.000 0.538 135 L N 3.399 124.974 121.223 0.585 0.000 2.528 135 L HA 0.474 4.819 4.340 0.008 0.000 0.267 135 L C -1.775 175.416 176.870 0.535 0.000 0.961 135 L CA -0.708 54.449 54.840 0.527 0.000 0.866 135 L CB 1.345 43.778 42.059 0.624 0.000 1.248 135 L HN 0.352 nan 8.230 nan 0.000 0.404 136 V N 3.014 123.149 119.914 0.368 0.000 2.394 136 V HA 0.259 4.384 4.120 0.008 0.000 0.282 136 V C -0.180 176.093 176.094 0.297 0.000 1.031 136 V CA -0.540 61.923 62.300 0.273 0.000 0.881 136 V CB 1.524 33.434 31.823 0.144 0.000 0.982 136 V HN 0.602 nan 8.190 nan 0.000 0.451 137 D N 4.515 125.111 120.400 0.326 0.000 2.374 137 D HA 0.169 4.814 4.640 0.008 0.000 0.240 137 D C 1.096 177.503 176.300 0.178 0.000 1.229 137 D CA -0.155 54.033 54.000 0.314 0.000 0.895 137 D CB 0.714 41.770 40.800 0.427 0.000 1.046 137 D HN 0.437 nan 8.370 nan 0.000 0.498 138 R N 2.355 122.945 120.500 0.150 0.000 2.299 138 R HA 0.026 4.371 4.340 0.008 0.000 0.197 138 R C 1.212 177.555 176.300 0.071 0.000 0.971 138 R CA 0.405 56.559 56.100 0.089 0.000 1.030 138 R CB 0.579 30.926 30.300 0.078 0.000 0.932 138 R HN 0.526 nan 8.270 nan 0.000 0.477 139 E N -0.273 119.987 120.200 0.099 0.000 2.140 139 E HA -0.074 4.280 4.350 0.008 0.000 0.191 139 E C 1.582 178.158 176.600 -0.040 0.000 0.973 139 E CA 1.564 57.994 56.400 0.051 0.000 0.829 139 E CB 0.310 30.084 29.700 0.123 0.000 0.781 139 E HN 0.307 nan 8.360 nan 0.000 0.466 140 T N -3.687 110.841 114.554 -0.043 0.000 3.014 140 T HA 0.283 4.637 4.350 0.008 0.000 0.250 140 T C 1.607 176.277 174.700 -0.050 0.000 1.060 140 T CA 0.479 62.527 62.100 -0.087 0.000 1.040 140 T CB 0.861 69.664 68.868 -0.109 0.000 0.971 140 T HN 0.252 nan 8.240 nan 0.000 0.497 141 G N 1.111 109.899 108.800 -0.019 0.000 2.175 141 G HA2 -0.234 3.731 3.960 0.008 0.000 0.244 141 G HA3 -0.234 3.731 3.960 0.008 0.000 0.244 141 G C 0.214 175.066 174.900 -0.080 0.000 0.982 141 G CA 0.169 45.242 45.100 -0.045 0.000 0.641 141 G HN 0.729 nan 8.290 nan 0.000 0.527 142 T N 1.166 115.673 114.554 -0.079 0.000 2.907 142 T HA 0.591 4.945 4.350 0.008 0.000 0.298 142 T C 0.491 175.036 174.700 -0.259 0.000 1.017 142 T CA 0.350 62.320 62.100 -0.216 0.000 1.118 142 T CB 1.476 70.201 68.868 -0.238 0.000 0.948 142 T HN 0.338 nan 8.240 nan 0.000 0.531 143 I N 2.774 123.112 120.570 -0.386 0.000 2.465 143 I HA 0.467 4.642 4.170 0.008 0.000 0.291 143 I C -0.917 175.042 176.117 -0.263 0.000 1.014 143 I CA -0.828 60.365 61.300 -0.178 0.000 1.093 143 I CB 1.454 39.423 38.000 -0.051 0.000 1.267 143 I HN 0.502 nan 8.210 nan 0.000 0.431 144 F N 4.102 124.253 119.950 0.336 0.000 2.480 144 F HA 0.455 4.987 4.527 0.008 0.000 0.329 144 F C 0.327 176.266 175.800 0.232 0.000 1.091 144 F CA -0.748 57.382 58.000 0.217 0.000 0.972 144 F CB 1.263 40.257 39.000 -0.010 0.000 1.150 144 F HN 0.362 nan 8.300 nan 0.000 0.467 145 N N 2.953 121.743 118.700 0.150 0.000 2.531 145 N HA 0.299 5.044 4.740 0.008 0.000 0.268 145 N C -1.643 173.764 175.510 -0.173 0.000 1.023 145 N CA -0.322 52.701 53.050 -0.045 0.000 0.896 145 N CB 0.665 38.930 38.487 -0.370 0.000 1.233 145 N HN 0.377 nan 8.380 nan 0.000 0.512 146 F N 4.012 123.917 119.950 -0.076 0.000 2.399 146 F HA 0.384 4.916 4.527 0.008 0.000 0.342 146 F C 1.190 176.905 175.800 -0.142 0.000 1.106 146 F CA 0.101 57.972 58.000 -0.215 0.000 1.196 146 F CB 0.796 39.664 39.000 -0.220 0.000 1.163 146 F HN 0.419 nan 8.300 nan 0.000 0.547 147 H N -0.415 118.743 119.070 0.147 0.000 3.003 147 H HA 0.468 5.028 4.556 0.008 0.000 0.327 147 H C -1.263 174.187 175.328 0.202 0.000 1.353 147 H CA -1.353 54.767 56.048 0.119 0.000 1.142 147 H CB 0.493 30.299 29.762 0.073 0.000 1.864 147 H HN 0.537 nan 8.280 nan 0.000 0.529 148 V N -0.149 119.954 119.914 0.315 0.000 2.924 148 V HA 0.259 4.383 4.120 0.008 0.000 0.305 148 V C -0.615 175.702 176.094 0.371 0.000 1.073 148 V CA -0.399 62.065 62.300 0.273 0.000 1.098 148 V CB 0.546 32.454 31.823 0.142 0.000 1.000 148 V HN 0.721 nan 8.190 nan 0.000 0.484 149 Y N 4.824 125.216 120.300 0.154 0.000 2.376 149 Y HA 0.685 5.240 4.550 0.008 0.000 0.326 149 Y C 0.063 175.920 175.900 -0.072 0.000 0.970 149 Y CA -0.924 57.159 58.100 -0.028 0.000 1.248 149 Y CB 0.864 39.447 38.460 0.205 0.000 1.117 149 Y HN 1.070 nan 8.280 nan 0.000 0.476 150 S N 4.572 120.081 115.700 -0.317 0.000 2.608 150 S HA 0.634 5.109 4.470 0.008 0.000 0.291 150 S C -0.188 174.165 174.600 -0.411 0.000 1.146 150 S CA -0.518 57.474 58.200 -0.346 0.000 1.043 150 S CB 2.743 65.822 63.200 -0.201 0.000 1.037 150 S HN 0.837 nan 8.310 nan 0.000 0.520 151 Q N 0.883 120.485 119.800 -0.330 0.000 2.061 151 Q HA 0.340 4.685 4.340 0.008 0.000 0.159 151 Q C 1.910 177.828 176.000 -0.137 0.000 0.530 151 Q CA -0.524 55.153 55.803 -0.210 0.000 0.728 151 Q CB 0.127 28.740 28.738 -0.208 0.000 1.004 151 Q HN 0.676 nan 8.270 nan 0.000 0.426 152 R N -0.057 120.370 120.500 -0.122 0.000 2.127 152 R HA 0.120 4.465 4.340 0.008 0.000 0.217 152 R C 0.262 176.507 176.300 -0.090 0.000 1.074 152 R CA 0.678 56.726 56.100 -0.087 0.000 0.991 152 R CB 0.479 30.736 30.300 -0.072 0.000 0.895 152 R HN 0.208 nan 8.270 nan 0.000 0.450 153 Q N -0.579 119.154 119.800 -0.112 0.000 2.377 153 Q HA 0.415 4.760 4.340 0.008 0.000 0.271 153 Q C -0.083 175.856 176.000 -0.102 0.000 1.077 153 Q CA -0.439 55.304 55.803 -0.099 0.000 0.820 153 Q CB 2.064 30.742 28.738 -0.101 0.000 1.347 153 Q HN 0.173 nan 8.270 nan 0.000 0.444 154 G N -0.027 108.726 108.800 -0.078 0.000 2.641 154 G HA2 0.239 4.204 3.960 0.008 0.000 0.239 154 G HA3 0.239 4.204 3.960 0.008 0.000 0.239 154 G C 0.206 175.097 174.900 -0.015 0.000 1.402 154 G CA -0.338 44.726 45.100 -0.060 0.000 1.046 154 G HN 0.513 nan 8.290 nan 0.000 0.565 155 F N 1.207 121.037 119.950 -0.199 0.000 2.095 155 F HA -0.048 4.484 4.527 0.007 0.000 0.298 155 F C 2.701 178.418 175.800 -0.139 0.000 1.104 155 F CA 2.156 60.037 58.000 -0.199 0.000 1.232 155 F CB -0.360 38.435 39.000 -0.341 0.000 0.987 155 F HN 0.291 nan 8.300 nan 0.000 0.475 156 A N -0.222 122.531 122.820 -0.112 0.000 1.930 156 A HA 0.046 4.371 4.320 0.008 0.000 0.217 156 A C 2.371 179.859 177.584 -0.160 0.000 1.175 156 A CA 1.459 53.386 52.037 -0.183 0.000 0.627 156 A CB -1.627 17.350 19.000 -0.038 0.000 0.815 156 A HN 0.490 nan 8.150 nan 0.000 0.443 157 G N -0.962 107.772 108.800 -0.110 0.000 2.777 157 G HA2 0.200 4.165 3.960 0.008 0.000 0.211 157 G HA3 0.200 4.165 3.960 0.008 0.000 0.211 157 G C 0.824 175.663 174.900 -0.102 0.000 1.149 157 G CA 0.724 45.769 45.100 -0.092 0.000 0.785 157 G HN 0.509 nan 8.290 nan 0.000 0.536 158 S N 0.929 116.556 115.700 -0.123 0.000 2.558 158 S HA 0.225 4.700 4.470 0.008 0.000 0.293 158 S C 0.508 175.048 174.600 -0.100 0.000 1.292 158 S CA -0.291 57.840 58.200 -0.116 0.000 1.063 158 S CB 0.361 63.495 63.200 -0.110 0.000 0.831 158 S HN 0.215 nan 8.310 nan 0.000 0.499 159 R N 3.868 124.315 120.500 -0.089 0.000 2.596 159 R HA 0.518 4.863 4.340 0.008 0.000 0.267 159 R C -2.575 173.695 176.300 -0.050 0.000 1.026 159 R CA -2.558 53.505 56.100 -0.062 0.000 1.087 159 R CB -0.540 29.728 30.300 -0.053 0.000 1.132 159 R HN 0.457 nan 8.270 nan 0.000 0.531 160 P HA 0.259 nan 4.420 nan 0.000 0.269 160 P C -0.154 177.139 177.300 -0.011 0.000 1.209 160 P CA 0.242 63.339 63.100 -0.004 0.000 0.776 160 P CB 0.548 32.252 31.700 0.007 0.000 0.876 161 G N 0.352 109.153 108.800 0.001 0.000 2.334 161 G HA2 0.232 4.197 3.960 0.008 0.000 0.566 161 G HA3 0.232 4.197 3.960 0.008 0.000 0.566 161 G C -0.036 174.885 174.900 0.035 0.000 1.413 161 G CA -0.019 45.089 45.100 0.013 0.000 0.993 161 G HN 0.647 nan 8.290 nan 0.000 0.642 162 T N -2.579 112.027 114.554 0.087 0.000 3.087 162 T HA 0.312 4.666 4.350 0.008 0.000 0.283 162 T C 0.200 175.053 174.700 0.255 0.000 0.956 162 T CA 0.880 63.080 62.100 0.168 0.000 0.894 162 T CB 0.598 69.531 68.868 0.109 0.000 1.160 162 T HN 0.677 nan 8.240 nan 0.000 0.532 163 D N 3.200 123.718 120.400 0.197 0.000 2.371 163 D HA 0.214 4.859 4.640 0.008 0.000 0.256 163 D C -1.566 174.856 176.300 0.202 0.000 1.193 163 D CA -2.125 51.969 54.000 0.157 0.000 0.881 163 D CB 1.772 42.634 40.800 0.103 0.000 1.143 163 D HN 0.023 nan 8.370 nan 0.000 0.473 164 P HA -0.107 nan 4.420 nan 0.000 0.220 164 P C 0.662 177.991 177.300 0.048 0.000 1.144 164 P CA 1.184 64.156 63.100 -0.213 0.000 0.800 164 P CB 0.212 31.836 31.700 -0.127 0.000 0.772 165 A N -1.208 121.673 122.820 0.101 0.000 2.169 165 A HA -0.049 4.275 4.320 0.008 0.000 0.212 165 A C 1.140 178.796 177.584 0.120 0.000 1.153 165 A CA 0.352 52.455 52.037 0.111 0.000 0.756 165 A CB -0.806 18.240 19.000 0.077 0.000 0.813 165 A HN 0.057 nan 8.150 nan 0.000 0.471 166 D N 0.583 121.080 120.400 0.163 0.000 2.325 166 D HA 0.166 4.811 4.640 0.008 0.000 0.251 166 D C -1.737 174.602 176.300 0.066 0.000 1.196 166 D CA -1.876 52.186 54.000 0.103 0.000 0.866 166 D CB 1.344 42.201 40.800 0.095 0.000 1.101 166 D HN 0.136 nan 8.370 nan 0.000 0.476 167 P HA 0.024 nan 4.420 nan 0.000 0.249 167 P C 0.289 177.531 177.300 -0.097 0.000 1.229 167 P CA 0.195 63.261 63.100 -0.056 0.000 0.788 167 P CB 0.490 32.171 31.700 -0.032 0.000 1.072 168 N N -0.251 118.399 118.700 -0.083 0.000 2.336 168 N HA 0.058 4.803 4.740 0.008 0.000 0.189 168 N C 0.273 175.701 175.510 -0.138 0.000 1.113 168 N CA 0.240 53.233 53.050 -0.094 0.000 0.858 168 N CB 0.753 39.203 38.487 -0.062 0.000 0.970 168 N HN 0.090 nan 8.380 nan 0.000 0.471 169 V N 2.022 121.809 119.914 -0.212 0.000 2.481 169 V HA 0.204 4.329 4.120 0.008 0.000 0.286 169 V C 0.032 175.890 176.094 -0.393 0.000 1.042 169 V CA -0.901 61.197 62.300 -0.337 0.000 0.928 169 V CB 2.101 33.584 31.823 -0.566 0.000 0.986 169 V HN 0.027 nan 8.190 nan 0.000 0.462 170 L N 5.913 126.982 121.223 -0.256 0.000 2.325 170 L HA 0.365 4.709 4.340 0.008 0.000 0.284 170 L C 0.175 176.959 176.870 -0.143 0.000 1.089 170 L CA 0.503 55.244 54.840 -0.165 0.000 0.836 170 L CB -0.276 41.766 42.059 -0.029 0.000 1.184 170 L HN 0.589 nan 8.230 nan 0.000 0.444 171 H N 3.546 122.611 119.070 -0.009 0.000 2.505 171 H HA 0.524 5.085 4.556 0.008 0.000 0.355 171 H C -0.404 175.034 175.328 0.184 0.000 1.179 171 H CA -0.045 56.060 56.048 0.095 0.000 1.343 171 H CB 1.602 31.446 29.762 0.136 0.000 1.501 171 H HN 0.712 nan 8.280 nan 0.000 0.569 172 A N 3.290 126.334 122.820 0.373 0.000 2.249 172 A HA 0.315 4.639 4.320 0.008 0.000 0.314 172 A C 0.012 177.752 177.584 0.261 0.000 1.290 172 A CA -0.613 51.622 52.037 0.331 0.000 0.893 172 A CB -0.069 19.116 19.000 0.307 0.000 1.165 172 A HN 0.649 nan 8.150 nan 0.000 0.530 173 N N -0.002 118.813 118.700 0.192 0.000 2.404 173 N HA 0.666 5.410 4.740 0.008 0.000 0.297 173 N C -1.325 174.046 175.510 -0.232 0.000 1.163 173 N CA -0.386 52.678 53.050 0.023 0.000 0.864 173 N CB 2.093 40.627 38.487 0.077 0.000 1.247 173 N HN 0.431 nan 8.380 nan 0.000 0.510 174 V N 0.264 120.003 119.914 -0.291 0.000 2.668 174 V HA 0.803 4.928 4.120 0.008 0.000 0.304 174 V C -1.254 174.697 176.094 -0.239 0.000 1.071 174 V CA -0.621 61.383 62.300 -0.494 0.000 0.894 174 V CB 1.393 32.724 31.823 -0.819 0.000 1.008 174 V HN 0.800 nan 8.190 nan 0.000 0.425 175 A N 4.363 127.056 122.820 -0.211 0.000 2.301 175 A HA 0.869 5.194 4.320 0.008 0.000 0.312 175 A C 0.040 177.739 177.584 0.192 0.000 1.182 175 A CA -0.322 51.659 52.037 -0.093 0.000 0.826 175 A CB 1.105 19.963 19.000 -0.236 0.000 1.134 175 A HN 0.877 nan 8.150 nan 0.000 0.501 176 T N 1.399 116.073 114.554 0.201 0.000 2.841 176 T HA 0.582 4.937 4.350 0.008 0.000 0.283 176 T C -0.345 174.309 174.700 -0.077 0.000 1.000 176 T CA -0.338 61.803 62.100 0.069 0.000 0.977 176 T CB 1.401 70.293 68.868 0.041 0.000 0.979 176 T HN 0.749 nan 8.240 nan 0.000 0.446 177 S N 0.965 116.427 115.700 -0.398 0.000 2.521 177 S HA 0.536 5.011 4.470 0.008 0.000 0.295 177 S C 0.820 175.144 174.600 -0.461 0.000 1.098 177 S CA -0.601 57.194 58.200 -0.674 0.000 0.999 177 S CB 1.046 63.405 63.200 -1.403 0.000 1.034 177 S HN 0.823 nan 8.310 nan 0.000 0.483 178 T N -0.043 114.303 114.554 -0.347 0.000 3.092 178 T HA 0.228 4.583 4.350 0.008 0.000 0.258 178 T C 0.022 174.584 174.700 -0.230 0.000 1.031 178 T CA -0.010 61.942 62.100 -0.247 0.000 0.925 178 T CB -0.286 68.481 68.868 -0.169 0.000 1.036 178 T HN 0.625 nan 8.240 nan 0.000 0.544 179 D N 0.339 120.566 120.400 -0.289 0.000 2.720 179 D HA 0.338 4.983 4.640 0.008 0.000 0.285 179 D C 1.259 177.409 176.300 -0.250 0.000 1.359 179 D CA -0.435 53.424 54.000 -0.235 0.000 0.818 179 D CB -0.320 40.356 40.800 -0.207 0.000 1.108 179 D HN 0.336 nan 8.370 nan 0.000 0.474 180 G N -0.201 108.437 108.800 -0.271 0.000 2.176 180 G HA2 -0.005 3.960 3.960 0.008 0.000 0.252 180 G HA3 -0.005 3.960 3.960 0.008 0.000 0.252 180 G C 1.151 175.895 174.900 -0.260 0.000 1.024 180 G CA 0.328 45.290 45.100 -0.230 0.000 0.755 180 G HN 1.454 nan 8.290 nan 0.000 0.507 181 G N -1.597 106.928 108.800 -0.459 0.000 2.157 181 G HA2 -0.258 3.707 3.960 0.008 0.000 0.248 181 G HA3 -0.258 3.707 3.960 0.008 0.000 0.248 181 G C 1.264 175.968 174.900 -0.326 0.000 0.979 181 G CA 0.872 45.665 45.100 -0.512 0.000 0.650 181 G HN 1.238 nan 8.290 nan 0.000 0.529 182 L N 0.471 121.506 121.223 -0.314 0.000 2.027 182 L HA 0.170 4.514 4.340 0.008 0.000 0.206 182 L C 1.894 178.641 176.870 -0.205 0.000 1.074 182 L CA 1.978 56.710 54.840 -0.181 0.000 0.745 182 L CB -0.441 41.530 42.059 -0.148 0.000 0.898 182 L HN 0.650 nan 8.230 nan 0.000 0.433 183 T N -4.543 109.764 114.554 -0.412 0.000 2.896 183 T HA 0.497 4.851 4.350 0.008 0.000 0.297 183 T C -1.527 172.808 174.700 -0.608 0.000 1.108 183 T CA -0.719 61.197 62.100 -0.305 0.000 1.004 183 T CB 1.810 70.591 68.868 -0.145 0.000 1.159 183 T HN 0.060 nan 8.240 nan 0.000 0.499 184 W N 0.919 122.157 121.300 -0.103 0.000 3.022 184 W HA 0.635 5.300 4.660 0.008 0.000 0.335 184 W C -0.004 176.354 176.519 -0.268 0.000 1.133 184 W CA -0.715 56.500 57.345 -0.217 0.000 1.219 184 W CB 2.256 31.536 29.460 -0.299 0.000 1.409 184 W HN 0.999 nan 8.180 nan 0.000 0.507 185 S N 0.424 116.078 115.700 -0.076 0.000 2.681 185 S HA 0.724 5.199 4.470 0.008 0.000 0.299 185 S C -1.162 173.271 174.600 -0.278 0.000 1.113 185 S CA -0.798 57.349 58.200 -0.088 0.000 1.013 185 S CB 1.452 64.650 63.200 -0.004 0.000 1.076 185 S HN 0.517 nan 8.310 nan 0.000 0.534 186 H N -0.254 118.842 119.070 0.044 0.000 2.572 186 H HA 0.718 5.278 4.556 0.008 0.000 0.359 186 H C -0.340 174.988 175.328 0.000 0.000 1.134 186 H CA -0.654 55.395 56.048 0.001 0.000 1.187 186 H CB 1.433 31.151 29.762 -0.072 0.000 1.597 186 H HN 0.537 nan 8.280 nan 0.000 0.524 187 R N 1.040 121.600 120.500 0.099 0.000 2.725 187 R HA 0.484 4.829 4.340 0.008 0.000 0.277 187 R C -1.055 175.277 176.300 0.053 0.000 0.987 187 R CA -0.872 55.272 56.100 0.072 0.000 0.901 187 R CB 2.288 32.640 30.300 0.085 0.000 1.207 187 R HN 0.533 nan 8.270 nan 0.000 0.463 188 T N 3.050 117.635 114.554 0.052 0.000 2.749 188 T HA 0.291 4.646 4.350 0.008 0.000 0.287 188 T C 1.014 175.757 174.700 0.072 0.000 0.970 188 T CA -0.497 61.639 62.100 0.061 0.000 0.980 188 T CB 0.554 69.419 68.868 -0.004 0.000 0.924 188 T HN 0.616 nan 8.240 nan 0.000 0.456 189 I N -0.156 120.472 120.570 0.097 0.000 3.974 189 I HA 0.213 4.388 4.170 0.008 0.000 0.334 189 I C 1.551 177.733 176.117 0.110 0.000 1.437 189 I CA -0.434 60.928 61.300 0.103 0.000 1.113 189 I CB -0.274 37.778 38.000 0.085 0.000 1.063 189 I HN 0.392 nan 8.210 nan 0.000 0.400 190 T N 1.805 116.456 114.554 0.162 0.000 2.665 190 T HA -0.216 4.139 4.350 0.008 0.000 0.268 190 T C 2.156 176.928 174.700 0.120 0.000 1.035 190 T CA 2.158 64.369 62.100 0.185 0.000 1.151 190 T CB -0.232 68.861 68.868 0.375 0.000 0.862 190 T HN 0.615 nan 8.240 nan 0.000 0.438 191 A N 2.015 124.902 122.820 0.110 0.000 1.933 191 A HA -0.147 4.178 4.320 0.008 0.000 0.218 191 A C 2.097 179.706 177.584 0.042 0.000 1.175 191 A CA 1.609 53.688 52.037 0.069 0.000 0.628 191 A CB -0.541 18.497 19.000 0.063 0.000 0.814 191 A HN 0.408 nan 8.150 nan 0.000 0.444 192 D N 0.002 120.436 120.400 0.057 0.000 2.219 192 D HA -0.084 4.560 4.640 0.008 0.000 0.205 192 D C 1.524 177.838 176.300 0.023 0.000 0.970 192 D CA 1.551 55.581 54.000 0.050 0.000 0.851 192 D CB -0.205 40.657 40.800 0.104 0.000 0.943 192 D HN 0.764 nan 8.370 nan 0.000 0.488 193 I N -2.184 118.396 120.570 0.017 0.000 3.877 193 I HA 0.216 4.390 4.170 0.008 0.000 0.332 193 I C -0.397 175.746 176.117 0.043 0.000 1.525 193 I CA -0.109 61.184 61.300 -0.011 0.000 1.146 193 I CB 0.515 38.437 38.000 -0.129 0.000 1.137 193 I HN -0.370 nan 8.210 nan 0.000 0.424 194 T N 3.983 118.536 114.554 -0.002 0.000 3.327 194 T HA 0.353 4.707 4.350 0.008 0.000 0.373 194 T C -1.591 172.954 174.700 -0.258 0.000 1.589 194 T CA -0.685 61.387 62.100 -0.047 0.000 1.497 194 T CB 0.884 69.778 68.868 0.043 0.000 1.032 194 T HN 0.233 nan 8.240 nan 0.000 0.640 195 P HA 0.099 nan 4.420 nan 0.000 0.237 195 P C -0.130 176.867 177.300 -0.506 0.000 1.178 195 P CA 0.632 63.487 63.100 -0.408 0.000 0.766 195 P CB 0.507 31.989 31.700 -0.363 0.000 0.876 196 D N 0.236 120.152 120.400 -0.807 0.000 2.696 196 D HA 0.195 4.840 4.640 0.008 0.000 0.251 196 D C -2.135 173.895 176.300 -0.450 0.000 1.188 196 D CA -2.220 51.372 54.000 -0.680 0.000 0.876 196 D CB 2.373 42.560 40.800 -1.022 0.000 1.334 196 D HN -0.167 nan 8.370 nan 0.000 0.540 197 P HA 0.093 nan 4.420 nan 0.000 0.234 197 P C 1.219 178.509 177.300 -0.017 0.000 1.167 197 P CA 0.322 63.369 63.100 -0.088 0.000 0.763 197 P CB 0.288 31.952 31.700 -0.061 0.000 0.835 198 G N -1.528 107.266 108.800 -0.009 0.000 2.534 198 G HA2 -0.132 3.833 3.960 0.008 0.000 0.217 198 G HA3 -0.132 3.833 3.960 0.008 0.000 0.217 198 G C -0.150 174.916 174.900 0.276 0.000 1.128 198 G CA -0.197 44.968 45.100 0.109 0.000 0.784 198 G HN 0.162 nan 8.290 nan 0.000 0.542 199 W N 2.047 123.344 121.300 -0.005 0.000 2.581 199 W HA 0.407 5.072 4.660 0.009 0.000 0.359 199 W C 1.477 177.983 176.519 -0.021 0.000 1.167 199 W CA -1.544 55.797 57.345 -0.007 0.000 1.517 199 W CB -0.120 29.338 29.460 -0.003 0.000 1.519 199 W HN 0.271 nan 8.180 nan 0.000 0.431 200 R N 0.722 121.311 120.500 0.148 0.000 2.276 200 R HA 0.228 4.573 4.340 0.008 0.000 0.196 200 R C 0.416 176.713 176.300 -0.004 0.000 0.961 200 R CA 0.219 56.347 56.100 0.047 0.000 1.024 200 R CB 0.511 30.811 30.300 -0.000 0.000 0.940 200 R HN 0.144 nan 8.270 nan 0.000 0.480 201 S N 0.204 115.906 115.700 0.004 0.000 2.547 201 S HA 0.553 5.028 4.470 0.008 0.000 0.270 201 S C -1.977 172.702 174.600 0.131 0.000 1.150 201 S CA -0.986 57.212 58.200 -0.003 0.000 0.850 201 S CB 1.505 64.573 63.200 -0.221 0.000 1.118 201 S HN 0.454 nan 8.310 nan 0.000 0.461 202 R N 1.622 122.296 120.500 0.290 0.000 2.664 202 R HA 0.563 4.908 4.340 0.008 0.000 0.266 202 R C -2.098 174.503 176.300 0.502 0.000 1.046 202 R CA -0.766 55.556 56.100 0.369 0.000 0.885 202 R CB -0.212 30.234 30.300 0.243 0.000 1.254 202 R HN 0.861 nan 8.270 nan 0.000 0.465 203 F N -0.413 119.622 119.950 0.142 0.000 2.596 203 F HA 0.822 5.354 4.527 0.007 0.000 0.311 203 F C -0.667 174.961 175.800 -0.286 0.000 1.116 203 F CA -1.081 56.906 58.000 -0.022 0.000 0.957 203 F CB 1.849 40.749 39.000 -0.167 0.000 1.250 203 F HN 0.808 nan 8.300 nan 0.000 0.444 204 A N 2.515 124.946 122.820 -0.648 0.000 2.511 204 A HA 0.546 4.871 4.320 0.008 0.000 0.242 204 A C 0.443 177.639 177.584 -0.647 0.000 1.069 204 A CA 0.037 51.347 52.037 -1.211 0.000 0.763 204 A CB -0.311 18.050 19.000 -1.065 0.000 1.001 204 A HN 1.570 nan 8.150 nan 0.000 0.498 205 A N 3.543 125.964 122.820 -0.667 0.000 2.491 205 A HA 0.488 4.813 4.320 0.008 0.000 0.261 205 A C 1.023 178.475 177.584 -0.220 0.000 1.101 205 A CA 0.288 52.070 52.037 -0.426 0.000 0.772 205 A CB -0.580 18.202 19.000 -0.364 0.000 1.043 205 A HN 1.833 nan 8.150 nan 0.000 0.501 206 S N 2.565 118.214 115.700 -0.085 0.000 2.573 206 S HA 0.626 5.101 4.470 0.008 0.000 0.277 206 S C 0.902 175.490 174.600 -0.020 0.000 1.346 206 S CA 0.261 58.442 58.200 -0.032 0.000 1.034 206 S CB 0.992 64.200 63.200 0.014 0.000 0.879 206 S HN 2.504 nan 8.310 nan 0.000 0.528 207 G N 1.122 109.930 108.800 0.013 0.000 2.214 207 G HA2 0.060 4.024 3.960 0.008 0.000 0.200 207 G HA3 0.060 4.024 3.960 0.008 0.000 0.200 207 G C -0.928 174.035 174.900 0.105 0.000 1.126 207 G CA -0.119 45.014 45.100 0.055 0.000 1.284 207 G HN 1.058 nan 8.290 nan 0.000 0.493 208 E N 0.014 120.278 120.200 0.108 0.000 2.304 208 E HA 0.548 4.902 4.350 0.008 0.000 0.277 208 E C 0.354 177.031 176.600 0.128 0.000 0.898 208 E CA -0.133 56.367 56.400 0.168 0.000 0.764 208 E CB 1.292 31.114 29.700 0.203 0.000 1.216 208 E HN 0.965 nan 8.360 nan 0.000 0.419 209 G N 3.138 112.029 108.800 0.152 0.000 2.525 209 G HA2 0.602 4.567 3.960 0.008 0.000 0.287 209 G HA3 0.602 4.567 3.960 0.008 0.000 0.287 209 G C -0.022 174.978 174.900 0.167 0.000 1.350 209 G CA -0.458 44.718 45.100 0.126 0.000 1.039 209 G HN 0.605 nan 8.290 nan 0.000 0.513 210 I N -3.667 117.002 120.570 0.164 0.000 3.042 210 I HA 0.692 4.867 4.170 0.008 0.000 0.310 210 I C -1.060 175.157 176.117 0.167 0.000 1.117 210 I CA -1.178 60.212 61.300 0.150 0.000 1.003 210 I CB 2.530 40.597 38.000 0.112 0.000 1.228 210 I HN 0.492 nan 8.210 nan 0.000 0.443 211 Q N 3.427 123.309 119.800 0.137 0.000 2.330 211 Q HA 0.545 4.890 4.340 0.008 0.000 0.269 211 Q C -1.650 174.388 176.000 0.063 0.000 1.022 211 Q CA -0.801 55.077 55.803 0.125 0.000 0.796 211 Q CB 2.155 30.982 28.738 0.148 0.000 1.271 211 Q HN 0.768 nan 8.270 nan 0.000 0.450 212 L N 3.979 125.233 121.223 0.052 0.000 2.490 212 L HA 0.137 4.482 4.340 0.008 0.000 0.274 212 L C 1.079 177.936 176.870 -0.021 0.000 1.201 212 L CA -0.107 54.737 54.840 0.005 0.000 0.869 212 L CB 0.358 42.444 42.059 0.045 0.000 1.123 212 L HN 0.697 nan 8.230 nan 0.000 0.484 213 R N 1.814 122.227 120.500 -0.145 0.000 2.335 213 R HA 0.175 4.519 4.340 0.008 0.000 0.210 213 R C -0.547 175.764 176.300 0.019 0.000 0.892 213 R CA 0.212 56.237 56.100 -0.124 0.000 1.048 213 R CB 0.143 30.297 30.300 -0.244 0.000 1.067 213 R HN 0.363 nan 8.270 nan 0.000 0.524 214 Y N 0.348 120.680 120.300 0.054 0.000 2.487 214 Y HA 0.614 5.168 4.550 0.008 0.000 0.337 214 Y C 1.220 177.131 175.900 0.018 0.000 1.076 214 Y CA -0.964 57.157 58.100 0.035 0.000 1.115 214 Y CB 1.081 39.563 38.460 0.036 0.000 1.235 214 Y HN 0.334 nan 8.280 nan 0.000 0.468 215 G N 1.711 110.605 108.800 0.157 0.000 2.685 215 G HA2 -0.154 3.811 3.960 0.008 0.000 0.387 215 G HA3 -0.154 3.811 3.960 0.008 0.000 0.387 215 G C -2.045 172.826 174.900 -0.048 0.000 1.324 215 G CA -0.590 44.534 45.100 0.040 0.000 0.878 215 G HN 0.476 nan 8.290 nan 0.000 0.527 216 P HA 0.001 nan 4.420 nan 0.000 0.223 216 P C 0.814 177.931 177.300 -0.306 0.000 1.151 216 P CA 1.509 64.430 63.100 -0.298 0.000 0.787 216 P CB -0.077 31.336 31.700 -0.478 0.000 0.788 217 H N -0.601 118.470 119.070 0.001 0.000 2.519 217 H HA 0.427 4.987 4.556 0.008 0.000 0.289 217 H C 0.641 175.968 175.328 -0.001 0.000 1.040 217 H CA -0.719 55.319 56.048 -0.016 0.000 1.165 217 H CB -0.388 29.342 29.762 -0.052 0.000 1.462 217 H HN 0.065 nan 8.280 nan 0.000 0.555 218 A N 0.850 123.723 122.820 0.089 0.000 2.580 218 A HA 0.326 4.650 4.320 0.008 0.000 0.244 218 A C 1.572 179.198 177.584 0.070 0.000 1.045 218 A CA 1.178 53.263 52.037 0.080 0.000 0.761 218 A CB -0.415 18.634 19.000 0.081 0.000 0.962 218 A HN 0.655 nan 8.150 nan 0.000 0.512 219 G N 1.608 110.448 108.800 0.067 0.000 2.231 219 G HA2 -0.207 3.758 3.960 0.008 0.000 0.206 219 G HA3 -0.207 3.758 3.960 0.008 0.000 0.206 219 G C 0.490 175.392 174.900 0.005 0.000 0.996 219 G CA 0.210 45.347 45.100 0.061 0.000 0.645 219 G HN 1.086 nan 8.290 nan 0.000 0.498 220 R N 1.043 121.555 120.500 0.020 0.000 2.522 220 R HA 0.456 4.801 4.340 0.008 0.000 0.284 220 R C 0.084 176.429 176.300 0.076 0.000 1.032 220 R CA -0.139 55.972 56.100 0.019 0.000 1.049 220 R CB 0.025 30.338 30.300 0.022 0.000 0.956 220 R HN 0.277 nan 8.270 nan 0.000 0.422 221 L N 6.631 127.911 121.223 0.095 0.000 2.289 221 L HA 0.440 4.785 4.340 0.008 0.000 0.285 221 L C -0.157 176.909 176.870 0.327 0.000 1.049 221 L CA -0.590 54.384 54.840 0.224 0.000 0.804 221 L CB 1.281 43.497 42.059 0.262 0.000 1.195 221 L HN 0.572 nan 8.230 nan 0.000 0.428 222 I N 3.252 123.995 120.570 0.288 0.000 2.447 222 I HA 0.325 4.500 4.170 0.008 0.000 0.287 222 I C -0.648 175.562 176.117 0.155 0.000 1.023 222 I CA -0.564 60.889 61.300 0.257 0.000 1.083 222 I CB 2.066 40.172 38.000 0.178 0.000 1.245 222 I HN 0.525 nan 8.210 nan 0.000 0.434 223 Q N 5.567 125.409 119.800 0.069 0.000 2.321 223 Q HA 0.370 4.715 4.340 0.008 0.000 0.270 223 Q C -1.250 174.692 176.000 -0.098 0.000 1.032 223 Q CA -0.617 55.068 55.803 -0.196 0.000 0.784 223 Q CB 1.703 29.956 28.738 -0.807 0.000 1.264 223 Q HN 0.382 nan 8.270 nan 0.000 0.448 224 Q N 2.455 122.162 119.800 -0.156 0.000 2.299 224 Q HA 0.355 4.700 4.340 0.008 0.000 0.246 224 Q C -1.007 174.823 176.000 -0.283 0.000 0.935 224 Q CA 0.155 55.887 55.803 -0.118 0.000 0.887 224 Q CB 0.864 29.511 28.738 -0.153 0.000 1.223 224 Q HN 0.665 nan 8.270 nan 0.000 0.439 225 Y N -0.841 119.292 120.300 -0.277 0.000 2.605 225 Y HA 0.411 4.965 4.550 0.008 0.000 0.343 225 Y C 0.025 175.686 175.900 -0.398 0.000 1.036 225 Y CA -0.700 57.188 58.100 -0.352 0.000 1.065 225 Y CB 2.147 40.464 38.460 -0.239 0.000 1.288 225 Y HN 0.335 nan 8.280 nan 0.000 0.481 226 T N 3.898 118.221 114.554 -0.385 0.000 2.823 226 T HA 0.694 5.049 4.350 0.008 0.000 0.279 226 T C -0.668 173.972 174.700 -0.101 0.000 0.998 226 T CA -0.533 61.372 62.100 -0.324 0.000 0.994 226 T CB 0.446 68.983 68.868 -0.552 0.000 0.960 226 T HN 0.496 nan 8.240 nan 0.000 0.448 227 I N -0.255 120.239 120.570 -0.126 0.000 2.846 227 I HA 0.740 4.915 4.170 0.008 0.000 0.307 227 I C -1.098 174.941 176.117 -0.129 0.000 1.053 227 I CA -1.435 59.771 61.300 -0.157 0.000 1.050 227 I CB 1.715 39.361 38.000 -0.590 0.000 1.239 227 I HN 0.506 nan 8.210 nan 0.000 0.439 228 I N 3.740 124.218 120.570 -0.154 0.000 2.382 228 I HA 0.347 4.522 4.170 0.008 0.000 0.286 228 I C -0.499 175.577 176.117 -0.068 0.000 1.002 228 I CA -0.635 60.593 61.300 -0.119 0.000 1.135 228 I CB 1.314 39.149 38.000 -0.275 0.000 1.288 228 I HN 0.782 nan 8.210 nan 0.000 0.448 229 N N 5.319 124.005 118.700 -0.023 0.000 2.418 229 N HA 0.308 5.052 4.740 0.008 0.000 0.283 229 N C 0.858 176.437 175.510 0.114 0.000 1.267 229 N CA -0.374 52.735 53.050 0.098 0.000 0.975 229 N CB 0.633 39.182 38.487 0.104 0.000 1.167 229 N HN 0.566 nan 8.380 nan 0.000 0.581 230 A N -1.098 121.810 122.820 0.146 0.000 2.066 230 A HA 0.171 4.496 4.320 0.008 0.000 0.218 230 A C 1.947 179.570 177.584 0.065 0.000 1.157 230 A CA 1.370 53.463 52.037 0.093 0.000 0.670 230 A CB -1.294 17.759 19.000 0.087 0.000 0.804 230 A HN 0.839 nan 8.150 nan 0.000 0.453 231 A N -1.688 121.173 122.820 0.068 0.000 2.206 231 A HA 0.385 4.709 4.320 0.008 0.000 0.211 231 A C 1.842 179.451 177.584 0.041 0.000 1.158 231 A CA 1.284 53.350 52.037 0.048 0.000 0.761 231 A CB -0.827 18.201 19.000 0.047 0.000 0.801 231 A HN 1.795 nan 8.150 nan 0.000 0.473 232 G N -2.275 106.557 108.800 0.053 0.000 2.157 232 G HA2 0.090 4.055 3.960 0.008 0.000 0.248 232 G HA3 0.090 4.055 3.960 0.008 0.000 0.248 232 G C 0.401 175.358 174.900 0.096 0.000 0.979 232 G CA 0.308 45.444 45.100 0.061 0.000 0.650 232 G HN 1.566 nan 8.290 nan 0.000 0.529 233 A N 0.106 122.980 122.820 0.090 0.000 2.340 233 A HA 0.723 5.048 4.320 0.008 0.000 0.268 233 A C -0.083 177.669 177.584 0.280 0.000 1.100 233 A CA -0.277 51.819 52.037 0.098 0.000 0.803 233 A CB 0.315 19.345 19.000 0.050 0.000 1.043 233 A HN 0.558 nan 8.150 nan 0.000 0.488 234 F N 1.026 120.977 119.950 0.002 0.000 2.411 234 F HA 0.412 4.943 4.527 0.008 0.000 0.350 234 F C 0.850 176.636 175.800 -0.024 0.000 1.114 234 F CA -0.470 57.550 58.000 0.033 0.000 1.135 234 F CB 0.965 40.033 39.000 0.114 0.000 1.120 234 F HN 0.575 nan 8.300 nan 0.000 0.495 235 Q N 1.368 121.218 119.800 0.083 0.000 2.433 235 Q HA 0.801 5.146 4.340 0.008 0.000 0.279 235 Q C -0.925 175.011 176.000 -0.107 0.000 1.105 235 Q CA -1.332 54.446 55.803 -0.041 0.000 0.815 235 Q CB 2.920 31.582 28.738 -0.125 0.000 1.403 235 Q HN 0.684 nan 8.270 nan 0.000 0.435 236 A N 1.016 123.764 122.820 -0.120 0.000 2.304 236 A HA 0.736 5.061 4.320 0.008 0.000 0.301 236 A C -0.931 176.556 177.584 -0.163 0.000 1.132 236 A CA -0.489 51.449 52.037 -0.164 0.000 0.819 236 A CB 1.295 20.181 19.000 -0.190 0.000 1.094 236 A HN 0.403 nan 8.150 nan 0.000 0.492 237 V N 1.481 121.317 119.914 -0.129 0.000 2.932 237 V HA 0.550 4.675 4.120 0.008 0.000 0.307 237 V C -0.304 175.826 176.094 0.060 0.000 1.147 237 V CA -0.435 61.844 62.300 -0.034 0.000 0.951 237 V CB 2.561 34.334 31.823 -0.083 0.000 1.031 237 V HN 0.967 nan 8.190 nan 0.000 0.426 238 S N 3.920 119.728 115.700 0.180 0.000 2.513 238 S HA 0.616 5.091 4.470 0.008 0.000 0.276 238 S C -0.459 174.321 174.600 0.299 0.000 1.254 238 S CA -0.335 58.017 58.200 0.254 0.000 1.053 238 S CB 1.369 64.776 63.200 0.346 0.000 0.958 238 S HN 0.620 nan 8.310 nan 0.000 0.491 239 V N 5.299 125.369 119.914 0.261 0.000 2.435 239 V HA 0.593 4.718 4.120 0.008 0.000 0.290 239 V C -0.797 175.541 176.094 0.407 0.000 1.030 239 V CA -0.524 61.901 62.300 0.207 0.000 0.881 239 V CB 0.708 32.529 31.823 -0.002 0.000 0.983 239 V HN 0.869 nan 8.190 nan 0.000 0.445 240 Y N 2.054 122.544 120.300 0.317 0.000 2.588 240 Y HA 0.828 5.382 4.550 0.008 0.000 0.343 240 Y C -0.549 175.406 175.900 0.091 0.000 1.065 240 Y CA -1.136 57.129 58.100 0.275 0.000 1.038 240 Y CB 1.981 40.516 38.460 0.124 0.000 1.297 240 Y HN 0.416 nan 8.280 nan 0.000 0.467 241 S N 0.612 116.273 115.700 -0.065 0.000 2.557 241 S HA 0.376 4.850 4.470 0.008 0.000 0.291 241 S C -0.955 173.511 174.600 -0.223 0.000 1.116 241 S CA -0.641 57.258 58.200 -0.500 0.000 0.992 241 S CB 0.953 63.309 63.200 -1.408 0.000 1.028 241 S HN 0.773 nan 8.310 nan 0.000 0.484 242 D N 2.399 122.699 120.400 -0.167 0.000 2.363 242 D HA 0.136 4.780 4.640 0.008 0.000 0.214 242 D C -0.042 176.110 176.300 -0.247 0.000 1.093 242 D CA 0.262 54.177 54.000 -0.142 0.000 0.837 242 D CB 0.469 41.259 40.800 -0.016 0.000 0.948 242 D HN 0.736 nan 8.370 nan 0.000 0.507 243 D N -1.069 119.152 120.400 -0.297 0.000 2.819 243 D HA -0.010 4.634 4.640 0.008 0.000 0.326 243 D C 0.032 176.269 176.300 -0.105 0.000 1.408 243 D CA -0.584 53.301 54.000 -0.192 0.000 0.811 243 D CB -0.582 40.161 40.800 -0.095 0.000 1.148 243 D HN -0.024 nan 8.370 nan 0.000 0.457 244 H N 0.024 119.040 119.070 -0.090 0.000 2.862 244 H HA -0.126 4.435 4.556 0.008 0.000 0.290 244 H C 1.358 176.728 175.328 0.069 0.000 1.211 244 H CA 1.153 57.212 56.048 0.018 0.000 1.140 244 H CB -1.576 28.229 29.762 0.072 0.000 1.341 244 H HN 0.707 nan 8.280 nan 0.000 0.392 245 G N -0.257 108.401 108.800 -0.237 0.000 2.175 245 G HA2 -0.400 3.565 3.960 0.008 0.000 0.244 245 G HA3 -0.400 3.565 3.960 0.008 0.000 0.244 245 G C 1.074 175.897 174.900 -0.129 0.000 0.982 245 G CA 0.938 45.816 45.100 -0.370 0.000 0.641 245 G HN 0.605 nan 8.290 nan 0.000 0.527 246 R N 0.865 121.297 120.500 -0.113 0.000 2.075 246 R HA 0.100 4.445 4.340 0.008 0.000 0.232 246 R C 1.316 177.569 176.300 -0.078 0.000 1.126 246 R CA 2.141 58.233 56.100 -0.014 0.000 0.963 246 R CB -0.154 30.149 30.300 0.005 0.000 0.858 246 R HN 0.686 nan 8.270 nan 0.000 0.435 247 T N -2.928 111.466 114.554 -0.266 0.000 2.900 247 T HA 0.497 4.852 4.350 0.008 0.000 0.295 247 T C -1.263 173.136 174.700 -0.501 0.000 1.044 247 T CA -0.918 61.057 62.100 -0.208 0.000 0.995 247 T CB 1.414 70.215 68.868 -0.111 0.000 1.072 247 T HN 0.223 nan 8.240 nan 0.000 0.473 248 W N 1.411 122.679 121.300 -0.053 0.000 2.761 248 W HA 0.745 5.410 4.660 0.008 0.000 0.340 248 W C 0.203 176.624 176.519 -0.164 0.000 1.072 248 W CA -0.905 56.383 57.345 -0.094 0.000 1.215 248 W CB 1.902 31.353 29.460 -0.015 0.000 1.420 248 W HN 1.048 nan 8.180 nan 0.000 0.519 249 R N 1.100 121.548 120.500 -0.086 0.000 2.774 249 R HA 0.950 5.295 4.340 0.008 0.000 0.272 249 R C -1.154 175.000 176.300 -0.243 0.000 1.000 249 R CA -1.202 54.779 56.100 -0.198 0.000 0.906 249 R CB 1.389 31.497 30.300 -0.320 0.000 1.227 249 R HN 0.465 nan 8.270 nan 0.000 0.468 250 A N 1.101 123.864 122.820 -0.095 0.000 2.310 250 A HA 0.651 4.975 4.320 0.008 0.000 0.299 250 A C 0.342 177.993 177.584 0.112 0.000 1.147 250 A CA -0.035 52.029 52.037 0.045 0.000 0.818 250 A CB 0.928 20.051 19.000 0.205 0.000 1.096 250 A HN 0.879 nan 8.150 nan 0.000 0.495 251 G N 0.036 108.973 108.800 0.228 0.000 2.582 251 G HA2 0.439 4.404 3.960 0.008 0.000 0.232 251 G HA3 0.439 4.404 3.960 0.008 0.000 0.232 251 G C -0.118 174.784 174.900 0.004 0.000 1.458 251 G CA -0.370 44.764 45.100 0.056 0.000 1.062 251 G HN 0.831 nan 8.290 nan 0.000 0.566 252 E N -0.205 119.887 120.200 -0.180 0.000 2.259 252 E HA 0.494 4.849 4.350 0.008 0.000 0.281 252 E C 0.325 177.005 176.600 0.133 0.000 1.027 252 E CA -0.646 55.772 56.400 0.030 0.000 0.838 252 E CB 1.033 30.718 29.700 -0.025 0.000 1.066 252 E HN 0.538 nan 8.360 nan 0.000 0.401 253 A N 3.422 126.356 122.820 0.190 0.000 2.445 253 A HA 0.325 4.650 4.320 0.008 0.000 0.242 253 A C -0.547 177.078 177.584 0.068 0.000 1.075 253 A CA -0.413 51.657 52.037 0.054 0.000 0.777 253 A CB 1.019 19.982 19.000 -0.061 0.000 1.013 253 A HN 0.442 nan 8.150 nan 0.000 0.493 254 V N 1.728 121.653 119.914 0.018 0.000 2.789 254 V HA 0.753 4.878 4.120 0.008 0.000 0.311 254 V C 0.378 176.467 176.094 -0.009 0.000 1.073 254 V CA 1.043 63.362 62.300 0.032 0.000 0.921 254 V CB 1.222 33.079 31.823 0.057 0.000 1.009 254 V HN 2.692 nan 8.190 nan 0.000 0.426 255 G N 3.947 112.756 108.800 0.015 0.000 2.760 255 G HA2 0.213 4.178 3.960 0.008 0.000 0.246 255 G HA3 0.213 4.178 3.960 0.008 0.000 0.246 255 G C -0.686 174.221 174.900 0.013 0.000 1.359 255 G CA 0.118 45.224 45.100 0.010 0.000 0.861 255 G HN 2.090 nan 8.290 nan 0.000 0.541 256 V N -3.589 116.332 119.914 0.012 0.000 3.130 256 V HA 0.958 5.083 4.120 0.008 0.000 0.310 256 V C 1.497 177.594 176.094 0.004 0.000 1.158 256 V CA 0.316 62.623 62.300 0.012 0.000 1.029 256 V CB 1.075 32.898 31.823 0.001 0.000 1.057 256 V HN 3.087 nan 8.190 nan 0.000 0.436 257 G N 1.409 110.199 108.800 -0.016 0.000 2.283 257 G HA2 -0.177 3.788 3.960 0.008 0.000 0.280 257 G HA3 -0.177 3.788 3.960 0.008 0.000 0.280 257 G C 0.054 174.976 174.900 0.037 0.000 1.029 257 G CA 0.922 46.003 45.100 -0.032 0.000 0.840 257 G HN 0.781 nan 8.290 nan 0.000 0.505 258 M N -0.767 118.890 119.600 0.094 0.000 2.219 258 M HA 0.678 5.162 4.480 0.008 0.000 0.280 258 M C 0.594 177.011 176.300 0.195 0.000 1.189 258 M CA -0.373 54.984 55.300 0.095 0.000 1.010 258 M CB 0.751 33.372 32.600 0.036 0.000 1.422 258 M HN 0.272 nan 8.290 nan 0.000 0.504 259 D N -0.965 119.485 120.400 0.083 0.000 3.485 259 D HA 0.130 4.775 4.640 0.008 0.000 0.358 259 D C -1.294 174.935 176.300 -0.118 0.000 1.487 259 D CA -0.416 53.622 54.000 0.064 0.000 0.922 259 D CB 0.630 41.525 40.800 0.157 0.000 1.479 259 D HN 0.543 nan 8.370 nan 0.000 0.567 260 E N 1.008 121.124 120.200 -0.141 0.000 2.608 260 E HA 0.117 4.472 4.350 0.008 0.000 0.259 260 E C 0.074 176.586 176.600 -0.147 0.000 0.951 260 E CA 0.645 56.907 56.400 -0.229 0.000 0.945 260 E CB 0.036 29.675 29.700 -0.101 0.000 0.916 260 E HN 0.274 nan 8.360 nan 0.000 0.477 261 N N 1.838 120.427 118.700 -0.185 0.000 2.494 261 N HA 0.379 5.123 4.740 0.008 0.000 0.270 261 N C -1.199 174.244 175.510 -0.111 0.000 1.285 261 N CA -0.964 52.013 53.050 -0.122 0.000 0.812 261 N CB 1.816 40.219 38.487 -0.140 0.000 1.557 261 N HN 0.069 nan 8.380 nan 0.000 0.487 262 K N 0.430 120.799 120.400 -0.052 0.000 2.443 262 K HA 0.578 4.903 4.320 0.008 0.000 0.251 262 K C -0.585 176.026 176.600 0.019 0.000 0.972 262 K CA -0.429 55.849 56.287 -0.015 0.000 0.833 262 K CB 2.083 34.599 32.500 0.026 0.000 1.317 262 K HN 0.865 nan 8.250 nan 0.000 0.441 263 T N -2.796 111.786 114.554 0.048 0.000 2.916 263 T HA 0.735 5.090 4.350 0.008 0.000 0.292 263 T C -0.746 174.022 174.700 0.113 0.000 1.055 263 T CA -0.920 61.235 62.100 0.092 0.000 1.009 263 T CB 1.759 70.697 68.868 0.118 0.000 1.118 263 T HN 0.289 nan 8.240 nan 0.000 0.497 264 V N 0.303 120.296 119.914 0.131 0.000 2.969 264 V HA 0.520 4.645 4.120 0.008 0.000 0.304 264 V C -1.298 174.868 176.094 0.120 0.000 1.192 264 V CA -0.794 61.581 62.300 0.126 0.000 0.962 264 V CB 2.008 33.919 31.823 0.148 0.000 1.045 264 V HN 1.155 nan 8.190 nan 0.000 0.428 265 E N 5.360 125.614 120.200 0.090 0.000 2.194 265 E HA 0.480 4.835 4.350 0.008 0.000 0.284 265 E C -0.737 175.933 176.600 0.116 0.000 1.035 265 E CA -0.421 56.026 56.400 0.080 0.000 0.836 265 E CB 1.016 30.708 29.700 -0.014 0.000 1.070 265 E HN 0.657 nan 8.360 nan 0.000 0.401 266 L N 2.614 123.928 121.223 0.152 0.000 2.479 266 L HA 0.107 4.451 4.340 0.008 0.000 0.249 266 L C 1.918 178.937 176.870 0.249 0.000 1.178 266 L CA -0.145 54.792 54.840 0.161 0.000 0.811 266 L CB 0.876 43.007 42.059 0.120 0.000 1.187 266 L HN 0.703 nan 8.230 nan 0.000 0.480 267 S N -0.712 115.104 115.700 0.195 0.000 2.440 267 S HA -0.169 4.306 4.470 0.008 0.000 0.238 267 S C 0.926 175.573 174.600 0.078 0.000 1.010 267 S CA 1.229 59.541 58.200 0.186 0.000 0.972 267 S CB -0.406 62.849 63.200 0.092 0.000 0.774 267 S HN 0.834 nan 8.310 nan 0.000 0.501 268 D N -0.559 119.889 120.400 0.080 0.000 2.395 268 D HA 0.297 4.941 4.640 0.008 0.000 0.213 268 D C 1.369 177.716 176.300 0.079 0.000 1.110 268 D CA 0.423 54.432 54.000 0.014 0.000 0.835 268 D CB -0.401 40.406 40.800 0.012 0.000 0.965 268 D HN 0.541 nan 8.370 nan 0.000 0.505 269 G N 0.737 109.683 108.800 0.243 0.000 2.205 269 G HA2 -0.346 3.618 3.960 0.008 0.000 0.261 269 G HA3 -0.346 3.618 3.960 0.008 0.000 0.261 269 G C 0.437 175.433 174.900 0.160 0.000 0.980 269 G CA 0.049 45.322 45.100 0.288 0.000 0.632 269 G HN 0.455 nan 8.290 nan 0.000 0.533 270 R N -0.430 120.140 120.500 0.117 0.000 2.784 270 R HA 0.425 4.770 4.340 0.008 0.000 0.266 270 R C 0.024 176.388 176.300 0.106 0.000 1.044 270 R CA 0.122 56.274 56.100 0.087 0.000 1.151 270 R CB 0.817 31.160 30.300 0.071 0.000 1.037 270 R HN 0.108 nan 8.270 nan 0.000 0.478 271 V N 3.659 123.631 119.914 0.096 0.000 2.384 271 V HA 0.177 4.302 4.120 0.008 0.000 0.287 271 V C -0.503 175.720 176.094 0.215 0.000 1.020 271 V CA -0.773 61.613 62.300 0.143 0.000 0.850 271 V CB 1.380 33.278 31.823 0.125 0.000 0.987 271 V HN 0.411 nan 8.190 nan 0.000 0.436 272 L N 6.165 127.503 121.223 0.191 0.000 2.292 272 L HA 0.598 4.943 4.340 0.008 0.000 0.284 272 L C -0.591 176.384 176.870 0.174 0.000 1.065 272 L CA 0.058 55.011 54.840 0.188 0.000 0.806 272 L CB 1.242 43.395 42.059 0.157 0.000 1.175 272 L HN 0.659 nan 8.230 nan 0.000 0.431 273 L N 5.800 127.098 121.223 0.125 0.000 2.322 273 L HA 0.554 4.899 4.340 0.008 0.000 0.281 273 L C -0.937 175.940 176.870 0.011 0.000 1.014 273 L CA -0.263 54.567 54.840 -0.016 0.000 0.815 273 L CB 1.071 42.944 42.059 -0.310 0.000 1.247 273 L HN 0.737 nan 8.230 nan 0.000 0.421 274 N N 3.112 121.826 118.700 0.023 0.000 2.461 274 N HA 0.319 5.064 4.740 0.008 0.000 0.284 274 N C -1.951 173.580 175.510 0.035 0.000 1.049 274 N CA -0.144 52.943 53.050 0.061 0.000 0.889 274 N CB 2.071 40.646 38.487 0.148 0.000 1.365 274 N HN 0.577 nan 8.380 nan 0.000 0.499 275 S N 2.362 118.074 115.700 0.020 0.000 2.526 275 S HA 0.428 4.903 4.470 0.008 0.000 0.293 275 S C -0.332 174.284 174.600 0.028 0.000 1.092 275 S CA -0.794 57.405 58.200 -0.001 0.000 0.980 275 S CB 1.469 64.647 63.200 -0.036 0.000 1.048 275 S HN 0.646 nan 8.310 nan 0.000 0.483 276 R N 2.005 122.519 120.500 0.022 0.000 2.640 276 R HA 0.060 4.405 4.340 0.008 0.000 0.270 276 R C -0.940 175.385 176.300 0.042 0.000 1.024 276 R CA 0.181 56.302 56.100 0.035 0.000 1.085 276 R CB 0.271 30.590 30.300 0.031 0.000 0.963 276 R HN 0.591 nan 8.270 nan 0.000 0.426 277 D N 2.114 122.540 120.400 0.043 0.000 2.454 277 D HA 0.067 4.712 4.640 0.008 0.000 0.225 277 D C 0.578 176.902 176.300 0.041 0.000 1.081 277 D CA -0.317 53.707 54.000 0.041 0.000 0.864 277 D CB 1.257 42.081 40.800 0.040 0.000 1.040 277 D HN 0.566 nan 8.370 nan 0.000 0.517 278 S N 2.233 117.969 115.700 0.060 0.000 2.507 278 S HA -0.085 4.389 4.470 0.008 0.000 0.235 278 S C 1.733 176.312 174.600 -0.036 0.000 0.988 278 S CA 0.484 58.713 58.200 0.048 0.000 0.944 278 S CB -0.003 63.255 63.200 0.098 0.000 0.762 278 S HN 0.404 nan 8.310 nan 0.000 0.526 279 A N 1.458 124.256 122.820 -0.036 0.000 2.238 279 A HA 0.300 4.625 4.320 0.008 0.000 0.208 279 A C 0.921 178.496 177.584 -0.015 0.000 1.177 279 A CA -0.245 51.768 52.037 -0.041 0.000 0.804 279 A CB -0.581 18.397 19.000 -0.037 0.000 0.823 279 A HN 0.488 nan 8.150 nan 0.000 0.482 280 R N -0.702 119.795 120.500 -0.005 0.000 3.336 280 R HA -0.173 4.171 4.340 0.008 0.000 0.260 280 R C 1.176 177.473 176.300 -0.005 0.000 1.032 280 R CA 0.585 56.679 56.100 -0.010 0.000 0.693 280 R CB -2.697 27.594 30.300 -0.015 0.000 1.134 280 R HN 0.802 nan 8.270 nan 0.000 0.433 281 S N -0.902 114.811 115.700 0.022 0.000 2.423 281 S HA 0.004 4.479 4.470 0.008 0.000 0.231 281 S C 1.619 176.225 174.600 0.011 0.000 1.014 281 S CA 0.963 59.208 58.200 0.075 0.000 0.965 281 S CB 0.414 63.714 63.200 0.167 0.000 0.785 281 S HN 1.109 nan 8.310 nan 0.000 0.495 282 G N -0.543 108.176 108.800 -0.136 0.000 2.157 282 G HA2 -0.189 3.776 3.960 0.008 0.000 0.239 282 G HA3 -0.189 3.776 3.960 0.008 0.000 0.239 282 G C -0.169 174.245 174.900 -0.810 0.000 0.982 282 G CA 0.289 45.131 45.100 -0.430 0.000 0.650 282 G HN 0.582 nan 8.290 nan 0.000 0.527 283 Y N -0.687 119.598 120.300 -0.026 0.000 2.638 283 Y HA 0.789 5.344 4.550 0.009 0.000 0.339 283 Y C 0.571 176.454 175.900 -0.029 0.000 1.084 283 Y CA -1.445 56.633 58.100 -0.037 0.000 1.068 283 Y CB 0.847 39.282 38.460 -0.042 0.000 1.294 283 Y HN 0.002 nan 8.280 nan 0.000 0.480 284 R N 1.238 121.815 120.500 0.128 0.000 2.490 284 R HA 0.359 4.704 4.340 0.008 0.000 0.278 284 R C -0.841 175.492 176.300 0.055 0.000 1.069 284 R CA -0.667 55.471 56.100 0.064 0.000 1.080 284 R CB 0.678 30.978 30.300 0.001 0.000 1.030 284 R HN 0.645 nan 8.270 nan 0.000 0.491 285 K N 0.902 121.326 120.400 0.040 0.000 2.110 285 K HA 0.436 4.760 4.320 0.008 0.000 0.263 285 K C -0.232 176.378 176.600 0.017 0.000 0.975 285 K CA -0.678 55.624 56.287 0.025 0.000 0.895 285 K CB 1.682 34.193 32.500 0.018 0.000 1.060 285 K HN 0.452 nan 8.250 nan 0.000 0.448 286 V N -1.682 118.244 119.914 0.020 0.000 3.007 286 V HA 0.976 5.100 4.120 0.008 0.000 0.311 286 V C -1.216 174.900 176.094 0.035 0.000 1.120 286 V CA -0.806 61.513 62.300 0.032 0.000 0.980 286 V CB 1.696 33.555 31.823 0.060 0.000 1.033 286 V HN 0.884 nan 8.190 nan 0.000 0.429 287 A N 2.009 124.860 122.820 0.052 0.000 2.612 287 A HA 0.912 5.236 4.320 0.008 0.000 0.293 287 A C -1.418 176.289 177.584 0.204 0.000 1.075 287 A CA -0.191 51.908 52.037 0.104 0.000 0.680 287 A CB 1.895 20.944 19.000 0.082 0.000 1.279 287 A HN 2.199 nan 8.150 nan 0.000 0.411 288 V N 0.420 120.485 119.914 0.252 0.000 2.823 288 V HA 0.843 4.968 4.120 0.008 0.000 0.312 288 V C -0.267 175.933 176.094 0.177 0.000 1.072 288 V CA 0.037 62.481 62.300 0.240 0.000 0.937 288 V CB 2.111 34.011 31.823 0.128 0.000 1.013 288 V HN 1.494 nan 8.190 nan 0.000 0.430 289 S N 2.523 118.241 115.700 0.030 0.000 2.482 289 S HA 0.538 5.013 4.470 0.008 0.000 0.303 289 S C 0.636 175.180 174.600 -0.093 0.000 1.091 289 S CA 0.168 58.215 58.200 -0.256 0.000 1.057 289 S CB 1.678 64.461 63.200 -0.695 0.000 1.031 289 S HN 1.116 nan 8.310 nan 0.000 0.485 290 T N -0.133 114.375 114.554 -0.077 0.000 3.054 290 T HA 0.201 4.556 4.350 0.008 0.000 0.255 290 T C 0.074 174.770 174.700 -0.007 0.000 1.035 290 T CA 0.020 62.109 62.100 -0.019 0.000 0.941 290 T CB -0.284 68.583 68.868 -0.003 0.000 1.026 290 T HN 0.636 nan 8.240 nan 0.000 0.533 291 D N 0.489 120.859 120.400 -0.049 0.000 2.788 291 D HA 0.346 4.991 4.640 0.008 0.000 0.289 291 D C 1.266 177.511 176.300 -0.091 0.000 1.340 291 D CA -0.473 53.523 54.000 -0.007 0.000 0.831 291 D CB -0.324 40.468 40.800 -0.015 0.000 1.103 291 D HN 0.339 nan 8.370 nan 0.000 0.476 292 G N -0.362 108.413 108.800 -0.043 0.000 2.160 292 G HA2 -0.035 3.929 3.960 0.008 0.000 0.251 292 G HA3 -0.035 3.929 3.960 0.008 0.000 0.251 292 G C 1.137 175.891 174.900 -0.243 0.000 1.008 292 G CA 0.344 45.387 45.100 -0.094 0.000 0.724 292 G HN 1.487 nan 8.290 nan 0.000 0.514 293 G N -1.787 106.861 108.800 -0.253 0.000 2.176 293 G HA2 -0.218 3.747 3.960 0.008 0.000 0.232 293 G HA3 -0.218 3.747 3.960 0.008 0.000 0.232 293 G C 0.671 175.421 174.900 -0.250 0.000 0.986 293 G CA 1.480 46.444 45.100 -0.227 0.000 0.643 293 G HN 1.730 nan 8.290 nan 0.000 0.522 294 H N 1.239 120.068 119.070 -0.401 0.000 2.363 294 H HA 0.367 4.928 4.556 0.008 0.000 0.301 294 H C 1.598 176.867 175.328 -0.097 0.000 1.074 294 H CA 2.571 58.491 56.048 -0.213 0.000 1.354 294 H CB 0.187 29.813 29.762 -0.226 0.000 1.397 294 H HN 0.854 nan 8.280 nan 0.000 0.516 295 S N -1.584 113.958 115.700 -0.263 0.000 2.588 295 S HA 0.466 4.941 4.470 0.008 0.000 0.275 295 S C -1.545 172.777 174.600 -0.464 0.000 1.130 295 S CA -0.986 57.081 58.200 -0.222 0.000 0.855 295 S CB 1.717 64.906 63.200 -0.019 0.000 1.116 295 S HN 0.211 nan 8.310 nan 0.000 0.472 296 Y N 0.011 120.323 120.300 0.020 0.000 2.562 296 Y HA 0.733 5.288 4.550 0.008 0.000 0.343 296 Y C 1.168 177.086 175.900 0.030 0.000 1.025 296 Y CA -0.350 57.766 58.100 0.026 0.000 1.082 296 Y CB 1.733 40.205 38.460 0.020 0.000 1.264 296 Y HN 1.072 nan 8.280 nan 0.000 0.478 297 G N 0.688 109.590 108.800 0.170 0.000 2.494 297 G HA2 0.406 4.371 3.960 0.008 0.000 0.270 297 G HA3 0.406 4.371 3.960 0.008 0.000 0.270 297 G C -2.597 172.371 174.900 0.113 0.000 1.423 297 G CA -1.405 43.764 45.100 0.114 0.000 1.055 297 G HN 0.373 nan 8.290 nan 0.000 0.536 298 P HA 0.194 nan 4.420 nan 0.000 0.265 298 P C -0.343 176.990 177.300 0.055 0.000 1.187 298 P CA -0.244 62.890 63.100 0.057 0.000 0.766 298 P CB 0.792 32.516 31.700 0.041 0.000 0.820 299 V N 3.433 123.371 119.914 0.040 0.000 2.509 299 V HA 0.423 4.548 4.120 0.008 0.000 0.284 299 V C 0.768 176.874 176.094 0.020 0.000 1.047 299 V CA 0.016 62.332 62.300 0.027 0.000 0.952 299 V CB 1.073 32.904 31.823 0.013 0.000 0.988 299 V HN 0.763 nan 8.190 nan 0.000 0.469 300 T N 2.207 116.772 114.554 0.018 0.000 2.916 300 T HA 0.765 5.120 4.350 0.008 0.000 0.292 300 T C -0.691 174.010 174.700 0.002 0.000 1.064 300 T CA -0.787 61.317 62.100 0.006 0.000 1.011 300 T CB 1.724 70.595 68.868 0.005 0.000 1.152 300 T HN 0.152 nan 8.240 nan 0.000 0.510 301 I N 2.006 122.566 120.570 -0.017 0.000 2.472 301 I HA 0.335 4.510 4.170 0.008 0.000 0.290 301 I C 0.202 176.283 176.117 -0.059 0.000 1.016 301 I CA -0.208 61.075 61.300 -0.028 0.000 1.348 301 I CB 0.988 38.952 38.000 -0.060 0.000 1.417 301 I HN 0.683 nan 8.210 nan 0.000 0.521 302 D N 5.709 126.083 120.400 -0.043 0.000 2.443 302 D HA 0.180 4.825 4.640 0.008 0.000 0.221 302 D C 0.889 177.117 176.300 -0.121 0.000 1.097 302 D CA -0.369 53.599 54.000 -0.053 0.000 0.865 302 D CB 0.755 41.547 40.800 -0.012 0.000 1.034 302 D HN 0.255 nan 8.370 nan 0.000 0.511 303 R N 2.111 122.468 120.500 -0.238 0.000 2.285 303 R HA -0.046 4.298 4.340 0.008 0.000 0.213 303 R C 0.419 176.649 176.300 -0.116 0.000 1.068 303 R CA 0.522 56.363 56.100 -0.432 0.000 1.004 303 R CB 0.164 30.222 30.300 -0.403 0.000 0.873 303 R HN 0.524 nan 8.270 nan 0.000 0.467 304 D N 0.148 120.527 120.400 -0.034 0.000 2.340 304 D HA 0.051 4.696 4.640 0.008 0.000 0.220 304 D C 0.228 176.482 176.300 -0.076 0.000 1.039 304 D CA 0.361 54.364 54.000 0.005 0.000 0.866 304 D CB 0.467 41.317 40.800 0.084 0.000 0.913 304 D HN 0.125 nan 8.370 nan 0.000 0.523 305 L N 2.818 123.993 121.223 -0.081 0.000 2.502 305 L HA 0.273 4.618 4.340 0.008 0.000 0.247 305 L C -2.418 174.468 176.870 0.026 0.000 1.180 305 L CA -1.609 53.104 54.840 -0.211 0.000 0.956 305 L CB 1.563 43.308 42.059 -0.523 0.000 1.282 305 L HN -0.314 nan 8.230 nan 0.000 0.470 306 P HA 0.038 nan 4.420 nan 0.000 0.269 306 P C -0.975 176.257 177.300 -0.114 0.000 1.209 306 P CA 0.256 63.275 63.100 -0.136 0.000 0.776 306 P CB 1.662 33.282 31.700 -0.134 0.000 0.876 307 D N 2.726 123.016 120.400 -0.184 0.000 2.803 307 D HA 0.161 4.805 4.640 0.008 0.000 0.218 307 D C -2.399 173.825 176.300 -0.126 0.000 1.245 307 D CA -1.808 52.137 54.000 -0.090 0.000 0.821 307 D CB 2.836 43.628 40.800 -0.013 0.000 1.626 307 D HN 0.093 nan 8.370 nan 0.000 0.487 308 P HA 0.140 nan 4.420 nan 0.000 0.261 308 P C -0.805 176.463 177.300 -0.053 0.000 1.352 308 P CA 0.277 63.327 63.100 -0.084 0.000 0.891 308 P CB 0.018 31.674 31.700 -0.073 0.000 1.383 309 T N -1.325 113.207 114.554 -0.037 0.000 3.455 309 T HA -0.102 4.253 4.350 0.008 0.000 0.416 309 T C -0.471 174.230 174.700 0.002 0.000 0.766 309 T CA 0.116 62.211 62.100 -0.008 0.000 2.199 309 T CB -2.230 66.636 68.868 -0.003 0.000 1.725 309 T HN 0.417 nan 8.240 nan 0.000 0.751 310 N N 0.413 119.117 118.700 0.006 0.000 3.227 310 N HA 0.465 5.210 4.740 0.008 0.000 0.241 310 N C -1.034 174.479 175.510 0.004 0.000 1.480 310 N CA -0.711 52.342 53.050 0.005 0.000 0.886 310 N CB 1.066 39.548 38.487 -0.008 0.000 1.406 310 N HN 0.252 nan 8.380 nan 0.000 0.514 311 N N -0.001 118.699 118.700 -0.000 0.000 2.354 311 N HA 0.700 5.445 4.740 0.008 0.000 0.246 311 N C -1.079 174.401 175.510 -0.050 0.000 1.285 311 N CA 0.394 53.435 53.050 -0.014 0.000 0.925 311 N CB 0.687 39.170 38.487 -0.006 0.000 1.174 311 N HN 0.654 nan 8.380 nan 0.000 0.478 312 A N -0.557 122.212 122.820 -0.085 0.000 2.566 312 A HA 0.568 4.892 4.320 0.008 0.000 0.290 312 A C -1.245 176.216 177.584 -0.205 0.000 1.071 312 A CA -0.518 51.380 52.037 -0.232 0.000 0.658 312 A CB 0.400 19.226 19.000 -0.291 0.000 1.285 312 A HN 0.743 nan 8.150 nan 0.000 0.427 313 S N -0.129 115.364 115.700 -0.344 0.000 2.548 313 S HA 0.840 5.314 4.470 0.008 0.000 0.286 313 S C -0.912 173.613 174.600 -0.125 0.000 1.098 313 S CA -0.517 57.590 58.200 -0.156 0.000 0.930 313 S CB 1.527 64.680 63.200 -0.079 0.000 1.070 313 S HN 1.625 nan 8.310 nan 0.000 0.480 314 I N 3.160 123.778 120.570 0.080 0.000 2.571 314 I HA 0.633 4.808 4.170 0.008 0.000 0.289 314 I C -1.570 174.654 176.117 0.179 0.000 1.115 314 I CA -1.227 60.211 61.300 0.229 0.000 1.045 314 I CB 1.493 39.725 38.000 0.386 0.000 1.238 314 I HN 0.980 nan 8.210 nan 0.000 0.424 315 I N 4.005 124.683 120.570 0.180 0.000 2.969 315 I HA 0.585 4.759 4.170 0.008 0.000 0.307 315 I C -0.881 175.314 176.117 0.129 0.000 1.149 315 I CA -1.079 60.305 61.300 0.140 0.000 1.008 315 I CB 1.878 39.948 38.000 0.118 0.000 1.232 315 I HN 0.393 nan 8.210 nan 0.000 0.435 316 R N 2.549 123.116 120.500 0.112 0.000 2.401 316 R HA 0.299 4.644 4.340 0.008 0.000 0.299 316 R C 0.849 177.175 176.300 0.043 0.000 1.064 316 R CA 0.474 56.631 56.100 0.095 0.000 1.000 316 R CB 1.358 31.722 30.300 0.107 0.000 0.973 316 R HN 0.972 nan 8.270 nan 0.000 0.438 317 A N 3.750 126.532 122.820 -0.062 0.000 1.969 317 A HA -0.057 4.268 4.320 0.008 0.000 0.218 317 A C 0.338 177.598 177.584 -0.540 0.000 1.169 317 A CA 1.084 52.915 52.037 -0.343 0.000 0.635 317 A CB 0.056 18.729 19.000 -0.545 0.000 0.810 317 A HN 0.542 nan 8.150 nan 0.000 0.445 318 F N -0.545 119.514 119.950 0.183 0.000 2.550 318 F HA 0.331 4.862 4.527 0.008 0.000 0.348 318 F C -1.829 174.042 175.800 0.119 0.000 1.219 318 F CA -2.337 55.751 58.000 0.146 0.000 1.203 318 F CB 1.331 40.407 39.000 0.126 0.000 1.436 318 F HN 0.046 nan 8.300 nan 0.000 0.541 319 P HA -0.083 nan 4.420 nan 0.000 0.226 319 P C 0.361 177.728 177.300 0.111 0.000 1.153 319 P CA 1.214 64.388 63.100 0.124 0.000 0.777 319 P CB 0.485 32.240 31.700 0.091 0.000 0.794 320 D N -0.426 120.063 120.400 0.149 0.000 2.349 320 D HA 0.184 4.829 4.640 0.008 0.000 0.214 320 D C 0.883 177.282 176.300 0.164 0.000 1.063 320 D CA -0.007 54.072 54.000 0.132 0.000 0.847 320 D CB 0.082 40.950 40.800 0.113 0.000 0.933 320 D HN 0.116 nan 8.370 nan 0.000 0.513 321 A N 1.844 124.789 122.820 0.208 0.000 2.407 321 A HA 0.446 4.771 4.320 0.008 0.000 0.248 321 A C -2.216 175.507 177.584 0.232 0.000 1.082 321 A CA -0.875 51.274 52.037 0.187 0.000 0.785 321 A CB 0.129 19.245 19.000 0.193 0.000 1.020 321 A HN -0.093 nan 8.150 nan 0.000 0.489 322 P HA 0.370 nan 4.420 nan 0.000 0.274 322 P C -0.253 177.067 177.300 0.033 0.000 1.237 322 P CA -0.124 63.051 63.100 0.126 0.000 0.793 322 P CB 0.639 32.363 31.700 0.041 0.000 0.977 323 A N 1.652 124.317 122.820 -0.259 0.000 2.540 323 A HA 0.406 4.731 4.320 0.008 0.000 0.239 323 A C 1.533 178.970 177.584 -0.246 0.000 1.061 323 A CA 0.874 52.536 52.037 -0.625 0.000 0.758 323 A CB -1.523 16.865 19.000 -1.020 0.000 0.991 323 A HN 0.878 nan 8.150 nan 0.000 0.502 324 G N 1.377 110.084 108.800 -0.154 0.000 2.225 324 G HA2 -0.223 3.741 3.960 0.008 0.000 0.254 324 G HA3 -0.223 3.741 3.960 0.008 0.000 0.254 324 G C 0.729 175.609 174.900 -0.032 0.000 0.988 324 G CA 1.000 46.054 45.100 -0.077 0.000 0.625 324 G HN 2.198 nan 8.290 nan 0.000 0.527 325 S N 0.373 116.064 115.700 -0.014 0.000 2.593 325 S HA 0.702 5.177 4.470 0.008 0.000 0.269 325 S C 1.770 176.378 174.600 0.014 0.000 1.334 325 S CA 0.522 58.721 58.200 -0.002 0.000 1.015 325 S CB 1.687 64.889 63.200 0.004 0.000 0.912 325 S HN 1.726 nan 8.310 nan 0.000 0.541 326 A N 2.026 124.844 122.820 -0.003 0.000 1.908 326 A HA -0.114 4.211 4.320 0.008 0.000 0.218 326 A C 2.377 179.979 177.584 0.030 0.000 1.181 326 A CA 1.408 53.448 52.037 0.005 0.000 0.627 326 A CB -0.737 18.254 19.000 -0.015 0.000 0.818 326 A HN 0.907 nan 8.150 nan 0.000 0.445 327 R N -0.749 119.744 120.500 -0.011 0.000 2.115 327 R HA -0.048 4.296 4.340 0.008 0.000 0.230 327 R C 2.272 178.705 176.300 0.222 0.000 1.111 327 R CA 1.027 57.125 56.100 -0.004 0.000 0.976 327 R CB -0.387 29.738 30.300 -0.291 0.000 0.870 327 R HN 0.512 nan 8.270 nan 0.000 0.445 328 A N 1.045 123.965 122.820 0.167 0.000 2.172 328 A HA -0.111 4.213 4.320 0.008 0.000 0.216 328 A C 1.561 179.256 177.584 0.185 0.000 1.154 328 A CA 1.040 53.209 52.037 0.220 0.000 0.701 328 A CB -0.058 19.074 19.000 0.220 0.000 0.789 328 A HN 0.192 nan 8.150 nan 0.000 0.465 329 K N -0.546 119.936 120.400 0.136 0.000 2.426 329 K HA 0.170 4.495 4.320 0.008 0.000 0.193 329 K C -0.331 176.312 176.600 0.072 0.000 1.028 329 K CA -0.005 56.331 56.287 0.081 0.000 1.047 329 K CB 0.432 32.955 32.500 0.039 0.000 0.821 329 K HN 0.269 nan 8.250 nan 0.000 0.513 330 V N 2.868 122.873 119.914 0.152 0.000 2.461 330 V HA 0.235 4.360 4.120 0.008 0.000 0.275 330 V C -0.116 176.037 176.094 0.098 0.000 1.047 330 V CA -0.370 62.014 62.300 0.139 0.000 0.955 330 V CB 0.892 32.890 31.823 0.293 0.000 0.988 330 V HN 0.123 nan 8.190 nan 0.000 0.471 331 L N 5.780 127.033 121.223 0.049 0.000 2.354 331 L HA 0.658 5.002 4.340 0.008 0.000 0.269 331 L C -0.724 176.283 176.870 0.228 0.000 1.005 331 L CA -0.599 54.317 54.840 0.127 0.000 0.819 331 L CB 2.175 44.318 42.059 0.139 0.000 1.311 331 L HN 0.408 nan 8.230 nan 0.000 0.423 332 L N 2.046 123.411 121.223 0.236 0.000 2.342 332 L HA 0.585 4.930 4.340 0.008 0.000 0.271 332 L C -1.189 175.896 176.870 0.359 0.000 1.008 332 L CA -0.490 54.508 54.840 0.263 0.000 0.818 332 L CB 2.280 44.352 42.059 0.022 0.000 1.296 332 L HN 0.395 nan 8.230 nan 0.000 0.427 333 F N 1.742 121.773 119.950 0.134 0.000 2.569 333 F HA 0.618 5.149 4.527 0.007 0.000 0.312 333 F C -0.593 175.186 175.800 -0.035 0.000 1.109 333 F CA -0.348 57.634 58.000 -0.030 0.000 0.919 333 F CB 2.099 40.872 39.000 -0.378 0.000 1.211 333 F HN 0.405 nan 8.300 nan 0.000 0.446 334 S N 5.768 121.042 115.700 -0.710 0.000 2.557 334 S HA 0.806 5.280 4.470 0.008 0.000 0.291 334 S C -1.419 172.736 174.600 -0.741 0.000 1.116 334 S CA -0.539 57.362 58.200 -0.499 0.000 0.992 334 S CB 1.873 64.939 63.200 -0.225 0.000 1.028 334 S HN 1.025 nan 8.310 nan 0.000 0.484 335 N N 1.061 119.540 118.700 -0.367 0.000 3.308 335 N HA 0.487 5.232 4.740 0.008 0.000 0.276 335 N C -1.575 173.877 175.510 -0.096 0.000 1.533 335 N CA -0.635 52.277 53.050 -0.229 0.000 0.878 335 N CB 0.997 39.351 38.487 -0.222 0.000 1.566 335 N HN 0.920 nan 8.380 nan 0.000 0.546 336 A N -0.373 122.394 122.820 -0.088 0.000 2.309 336 A HA 0.696 5.021 4.320 0.008 0.000 0.290 336 A C 1.027 178.563 177.584 -0.080 0.000 1.206 336 A CA 0.026 51.995 52.037 -0.113 0.000 0.850 336 A CB -0.093 18.849 19.000 -0.097 0.000 1.118 336 A HN 0.958 nan 8.150 nan 0.000 0.523 337 A N 2.422 125.185 122.820 -0.096 0.000 2.067 337 A HA 0.203 4.528 4.320 0.008 0.000 0.217 337 A C 1.561 179.087 177.584 -0.097 0.000 1.156 337 A CA 1.066 53.058 52.037 -0.075 0.000 0.683 337 A CB -0.377 18.580 19.000 -0.072 0.000 0.808 337 A HN 0.962 nan 8.150 nan 0.000 0.455 338 S N -0.506 115.130 115.700 -0.107 0.000 2.560 338 S HA 0.104 4.578 4.470 0.008 0.000 0.284 338 S C 0.790 175.319 174.600 -0.119 0.000 1.327 338 S CA -0.156 57.979 58.200 -0.108 0.000 1.055 338 S CB 0.609 63.748 63.200 -0.100 0.000 0.868 338 S HN 0.554 nan 8.310 nan 0.000 0.506 339 Q N 1.660 121.380 119.800 -0.134 0.000 2.392 339 Q HA 0.046 4.391 4.340 0.008 0.000 0.203 339 Q C 1.555 177.483 176.000 -0.121 0.000 0.917 339 Q CA 0.898 56.605 55.803 -0.160 0.000 0.939 339 Q CB 0.339 28.951 28.738 -0.210 0.000 1.063 339 Q HN 0.971 nan 8.270 nan 0.000 0.516 340 T N -3.646 110.849 114.554 -0.098 0.000 2.971 340 T HA 0.158 4.513 4.350 0.008 0.000 0.252 340 T C 0.721 175.380 174.700 -0.068 0.000 1.022 340 T CA 0.236 62.288 62.100 -0.080 0.000 0.980 340 T CB 0.522 69.344 68.868 -0.076 0.000 1.044 340 T HN 0.107 nan 8.240 nan 0.000 0.501 341 S N 0.209 115.867 115.700 -0.070 0.000 2.638 341 S HA 0.578 5.052 4.470 0.008 0.000 0.274 341 S C -1.041 173.521 174.600 -0.064 0.000 1.157 341 S CA -1.264 56.900 58.200 -0.060 0.000 0.826 341 S CB 1.454 64.621 63.200 -0.056 0.000 1.139 341 S HN 0.230 nan 8.310 nan 0.000 0.474 342 R N 1.767 122.236 120.500 -0.052 0.000 3.247 342 R HA 0.413 4.758 4.340 0.008 0.000 0.212 342 R C -0.032 176.229 176.300 -0.064 0.000 1.604 342 R CA 0.092 56.161 56.100 -0.052 0.000 1.279 342 R CB -0.449 29.832 30.300 -0.031 0.000 1.277 342 R HN 0.786 nan 8.270 nan 0.000 0.669 343 S N -0.372 115.273 115.700 -0.092 0.000 2.656 343 S HA 0.221 4.696 4.470 0.008 0.000 0.273 343 S C -0.623 173.878 174.600 -0.165 0.000 1.168 343 S CA -1.141 56.989 58.200 -0.117 0.000 0.817 343 S CB 1.689 64.833 63.200 -0.094 0.000 1.146 343 S HN 0.519 nan 8.310 nan 0.000 0.475 344 Q N -0.299 119.377 119.800 -0.207 0.000 2.464 344 Q HA -0.116 4.229 4.340 0.008 0.000 0.304 344 Q C 0.469 176.257 176.000 -0.354 0.000 1.401 344 Q CA 0.480 56.135 55.803 -0.247 0.000 0.806 344 Q CB -2.289 26.348 28.738 -0.168 0.000 1.134 344 Q HN 1.169 nan 8.270 nan 0.000 0.411 345 G N 1.022 109.469 108.800 -0.589 0.000 2.225 345 G HA2 0.242 4.207 3.960 0.008 0.000 0.245 345 G HA3 0.242 4.207 3.960 0.008 0.000 0.245 345 G C -0.033 174.304 174.900 -0.938 0.000 1.249 345 G CA 0.465 44.985 45.100 -0.967 0.000 0.919 345 G HN 0.145 nan 8.290 nan 0.000 0.486 346 T N 2.976 117.355 114.554 -0.291 0.000 2.916 346 T HA 0.406 4.761 4.350 0.008 0.000 0.298 346 T C -0.203 174.629 174.700 0.220 0.000 1.031 346 T CA -0.539 61.564 62.100 0.005 0.000 0.993 346 T CB 1.484 70.333 68.868 -0.032 0.000 1.045 346 T HN 0.290 nan 8.240 nan 0.000 0.454 347 I N 3.141 123.847 120.570 0.228 0.000 2.353 347 I HA 0.490 4.665 4.170 0.008 0.000 0.293 347 I C 0.591 176.785 176.117 0.127 0.000 0.992 347 I CA -0.567 60.801 61.300 0.114 0.000 1.268 347 I CB 1.073 39.048 38.000 -0.042 0.000 1.387 347 I HN 0.497 nan 8.210 nan 0.000 0.478 348 R N 5.300 125.919 120.500 0.198 0.000 2.854 348 R HA 0.775 5.120 4.340 0.008 0.000 0.271 348 R C -0.791 175.750 176.300 0.403 0.000 0.996 348 R CA -0.916 55.338 56.100 0.258 0.000 0.961 348 R CB 2.892 33.308 30.300 0.192 0.000 1.182 348 R HN 0.574 nan 8.270 nan 0.000 0.479 349 M N 0.881 120.743 119.600 0.437 0.000 2.326 349 M HA 0.335 4.820 4.480 0.008 0.000 0.292 349 M C -1.369 175.078 176.300 0.244 0.000 1.081 349 M CA -0.339 55.182 55.300 0.370 0.000 0.919 349 M CB 2.356 35.074 32.600 0.196 0.000 1.634 349 M HN 0.554 nan 8.290 nan 0.000 0.451 350 S N 2.552 118.192 115.700 -0.100 0.000 2.475 350 S HA 0.511 4.985 4.470 0.008 0.000 0.298 350 S C -0.024 174.451 174.600 -0.208 0.000 1.119 350 S CA -0.753 57.154 58.200 -0.488 0.000 1.085 350 S CB 0.955 63.351 63.200 -1.340 0.000 1.028 350 S HN 0.935 nan 8.310 nan 0.000 0.489 351 c N 2.711 121.222 118.600 -0.148 0.000 2.974 351 c HA 0.370 4.945 4.570 0.008 0.000 0.282 351 c C 0.452 174.501 174.090 -0.068 0.000 1.292 351 c CA -0.548 55.750 56.329 -0.050 0.000 1.710 351 c CB -1.618 40.890 42.510 -0.003 0.000 2.036 351 c HN 0.914 nan 8.230 nan 0.000 0.629 352 D N -1.447 118.868 120.400 -0.143 0.000 2.908 352 D HA 0.119 4.764 4.640 0.008 0.000 0.361 352 D C -0.155 176.063 176.300 -0.137 0.000 1.416 352 D CA -0.215 53.715 54.000 -0.117 0.000 0.796 352 D CB -0.719 40.016 40.800 -0.109 0.000 1.185 352 D HN 0.004 nan 8.370 nan 0.000 0.451 353 D N 0.237 120.562 120.400 -0.125 0.000 2.945 353 D HA -0.127 4.518 4.640 0.008 0.000 0.225 353 D C 1.278 177.495 176.300 -0.138 0.000 1.158 353 D CA 1.647 55.601 54.000 -0.077 0.000 0.805 353 D CB -1.392 39.399 40.800 -0.015 0.000 1.098 353 D HN 0.793 nan 8.370 nan 0.000 0.426 354 G N -0.597 107.988 108.800 -0.358 0.000 2.143 354 G HA2 -0.392 3.573 3.960 0.008 0.000 0.249 354 G HA3 -0.392 3.573 3.960 0.008 0.000 0.249 354 G C 1.015 175.721 174.900 -0.322 0.000 0.981 354 G CA 0.705 45.510 45.100 -0.491 0.000 0.665 354 G HN 0.379 nan 8.290 nan 0.000 0.528 355 Q N 0.036 119.678 119.800 -0.264 0.000 2.046 355 Q HA 0.013 4.357 4.340 0.008 0.000 0.200 355 Q C 1.740 177.626 176.000 -0.191 0.000 0.975 355 Q CA 2.030 57.738 55.803 -0.160 0.000 0.836 355 Q CB -0.217 28.457 28.738 -0.107 0.000 0.896 355 Q HN 0.992 nan 8.270 nan 0.000 0.428 356 T N -4.276 110.083 114.554 -0.324 0.000 2.901 356 T HA 0.516 4.870 4.350 0.008 0.000 0.293 356 T C -1.263 173.156 174.700 -0.468 0.000 1.084 356 T CA -0.842 61.109 62.100 -0.248 0.000 1.008 356 T CB 1.112 69.912 68.868 -0.113 0.000 1.170 356 T HN 0.207 nan 8.240 nan 0.000 0.509 357 W N 1.802 123.077 121.300 -0.041 0.000 2.104 357 W HA 0.372 5.037 4.660 0.009 0.000 0.291 357 W C -1.993 174.513 176.519 -0.021 0.000 0.936 357 W CA -1.971 55.353 57.345 -0.034 0.000 1.856 357 W CB 1.230 30.648 29.460 -0.070 0.000 2.036 357 W HN 0.596 nan 8.180 nan 0.000 0.393 358 P HA -0.084 nan 4.420 nan 0.000 0.220 358 P C 0.364 177.740 177.300 0.126 0.000 1.148 358 P CA 1.220 64.383 63.100 0.105 0.000 0.803 358 P CB 0.776 32.535 31.700 0.098 0.000 0.782 359 V N 0.596 120.599 119.914 0.148 0.000 2.459 359 V HA 0.462 4.587 4.120 0.008 0.000 0.295 359 V C 0.158 176.326 176.094 0.122 0.000 1.029 359 V CA -0.354 62.017 62.300 0.119 0.000 0.874 359 V CB 1.612 33.504 31.823 0.115 0.000 0.985 359 V HN 0.215 nan 8.190 nan 0.000 0.438 360 S N 4.092 119.826 115.700 0.057 0.000 2.541 360 S HA 0.824 5.299 4.470 0.008 0.000 0.271 360 S C -1.203 173.361 174.600 -0.059 0.000 1.133 360 S CA -0.922 57.295 58.200 0.028 0.000 0.876 360 S CB 2.297 65.516 63.200 0.031 0.000 1.105 360 S HN 0.731 nan 8.310 nan 0.000 0.470 361 K N 1.699 122.046 120.400 -0.088 0.000 2.525 361 K HA 0.570 4.895 4.320 0.008 0.000 0.254 361 K C -1.583 174.994 176.600 -0.037 0.000 0.934 361 K CA -0.783 55.395 56.287 -0.181 0.000 0.802 361 K CB 2.199 34.376 32.500 -0.538 0.000 1.295 361 K HN 0.616 nan 8.250 nan 0.000 0.433 362 V N 6.112 125.993 119.914 -0.055 0.000 2.508 362 V HA 0.086 4.210 4.120 0.008 0.000 0.281 362 V C 0.728 176.858 176.094 0.059 0.000 1.041 362 V CA 0.208 62.471 62.300 -0.061 0.000 1.016 362 V CB 0.270 32.020 31.823 -0.121 0.000 0.984 362 V HN 0.792 nan 8.190 nan 0.000 0.478 363 F N 2.380 122.289 119.950 -0.068 0.000 2.678 363 F HA 0.433 4.966 4.527 0.010 0.000 0.291 363 F C 0.794 176.449 175.800 -0.242 0.000 1.123 363 F CA -0.157 57.715 58.000 -0.213 0.000 1.395 363 F CB 0.319 39.144 39.000 -0.292 0.000 1.121 363 F HN 0.459 nan 8.300 nan 0.000 0.592 364 Q N 2.021 121.405 119.800 -0.694 0.000 2.589 364 Q HA 0.387 4.731 4.340 0.008 0.000 0.245 364 Q C -2.388 173.391 176.000 -0.369 0.000 0.931 364 Q CA -2.484 53.041 55.803 -0.464 0.000 0.730 364 Q CB 1.699 30.085 28.738 -0.587 0.000 1.315 364 Q HN -0.085 nan 8.270 nan 0.000 0.469 365 P HA -0.007 nan 4.420 nan 0.000 0.220 365 P C 0.489 177.711 177.300 -0.130 0.000 1.148 365 P CA 0.989 63.995 63.100 -0.157 0.000 0.803 365 P CB 0.379 32.020 31.700 -0.098 0.000 0.782 366 G N -0.279 108.459 108.800 -0.103 0.000 2.666 366 G HA2 0.186 4.150 3.960 0.008 0.000 0.207 366 G HA3 0.186 4.150 3.960 0.008 0.000 0.207 366 G C -0.426 174.431 174.900 -0.072 0.000 1.481 366 G CA -0.256 44.803 45.100 -0.067 0.000 1.071 366 G HN 0.109 nan 8.290 nan 0.000 0.572 367 S N -0.212 115.470 115.700 -0.030 0.000 2.552 367 S HA 0.385 4.860 4.470 0.008 0.000 0.289 367 S C -0.061 174.545 174.600 0.010 0.000 1.304 367 S CA 0.241 58.431 58.200 -0.015 0.000 1.063 367 S CB 0.020 63.224 63.200 0.006 0.000 0.848 367 S HN 0.401 nan 8.310 nan 0.000 0.499 368 M N 5.021 124.617 119.600 -0.007 0.000 2.400 368 M HA 0.165 4.650 4.480 0.008 0.000 0.192 368 M C -0.091 176.226 176.300 0.028 0.000 0.977 368 M CA -0.152 55.164 55.300 0.028 0.000 0.965 368 M CB 0.810 33.306 32.600 -0.173 0.000 2.816 368 M HN 0.675 nan 8.290 nan 0.000 0.413 369 S N 0.778 116.523 115.700 0.076 0.000 2.602 369 S HA 0.708 5.183 4.470 0.008 0.000 0.240 369 S C 0.515 175.147 174.600 0.054 0.000 0.992 369 S CA 0.040 58.266 58.200 0.042 0.000 0.971 369 S CB 0.474 63.690 63.200 0.026 0.000 0.855 369 S HN 0.921 nan 8.310 nan 0.000 0.481 370 G N 0.509 109.365 108.800 0.094 0.000 2.442 370 G HA2 0.494 4.459 3.960 0.008 0.000 0.296 370 G HA3 0.494 4.459 3.960 0.008 0.000 0.296 370 G C -1.291 173.690 174.900 0.134 0.000 1.564 370 G CA -0.129 45.018 45.100 0.079 0.000 0.828 370 G HN 1.020 nan 8.290 nan 0.000 0.571 371 S N -1.096 114.654 115.700 0.084 0.000 2.558 371 S HA 0.846 5.320 4.470 0.008 0.000 0.277 371 S C -1.092 173.526 174.600 0.030 0.000 1.143 371 S CA -0.309 57.950 58.200 0.098 0.000 0.865 371 S CB 2.089 65.343 63.200 0.090 0.000 1.102 371 S HN 1.543 nan 8.310 nan 0.000 0.454 372 T N 1.767 116.351 114.554 0.051 0.000 2.933 372 T HA 0.619 4.974 4.350 0.008 0.000 0.305 372 T C -1.526 173.215 174.700 0.070 0.000 1.092 372 T CA -0.601 61.529 62.100 0.051 0.000 1.008 372 T CB 0.871 69.792 68.868 0.089 0.000 1.102 372 T HN 0.690 nan 8.240 nan 0.000 0.469 373 L N 2.791 124.056 121.223 0.069 0.000 2.325 373 L HA 0.768 5.113 4.340 0.008 0.000 0.278 373 L C 0.273 177.227 176.870 0.141 0.000 1.023 373 L CA -0.644 54.261 54.840 0.108 0.000 0.811 373 L CB 2.172 44.290 42.059 0.097 0.000 1.249 373 L HN 0.580 nan 8.230 nan 0.000 0.431 374 T N 1.343 115.996 114.554 0.166 0.000 2.900 374 T HA 0.673 5.027 4.350 0.008 0.000 0.303 374 T C -1.015 173.783 174.700 0.164 0.000 1.142 374 T CA -0.445 61.750 62.100 0.159 0.000 1.007 374 T CB 1.649 70.605 68.868 0.145 0.000 1.156 374 T HN 0.625 nan 8.240 nan 0.000 0.490 375 A N 4.286 127.186 122.820 0.132 0.000 2.354 375 A HA 0.685 5.009 4.320 0.008 0.000 0.281 375 A C -0.122 177.410 177.584 -0.087 0.000 1.174 375 A CA -0.388 51.662 52.037 0.021 0.000 0.828 375 A CB -0.159 18.885 19.000 0.073 0.000 1.099 375 A HN 0.793 nan 8.150 nan 0.000 0.516 376 L N 3.521 124.608 121.223 -0.226 0.000 2.379 376 L HA 0.282 4.626 4.340 0.008 0.000 0.269 376 L C -1.426 175.352 176.870 -0.153 0.000 1.084 376 L CA -1.817 52.928 54.840 -0.158 0.000 0.802 376 L CB 1.136 43.098 42.059 -0.161 0.000 1.175 376 L HN 0.487 nan 8.230 nan 0.000 0.448 377 P HA -0.159 nan 4.420 nan 0.000 0.221 377 P C 0.512 177.765 177.300 -0.079 0.000 1.145 377 P CA 0.947 64.003 63.100 -0.074 0.000 0.795 377 P CB 0.043 31.707 31.700 -0.060 0.000 0.775 378 D N -2.049 118.290 120.400 -0.103 0.000 2.328 378 D HA 0.079 4.724 4.640 0.008 0.000 0.226 378 D C 1.412 177.649 176.300 -0.106 0.000 1.066 378 D CA 0.511 54.458 54.000 -0.088 0.000 0.861 378 D CB -0.857 39.895 40.800 -0.080 0.000 0.912 378 D HN 0.191 nan 8.370 nan 0.000 0.521 379 G N -0.133 108.570 108.800 -0.162 0.000 2.199 379 G HA2 -0.293 3.672 3.960 0.008 0.000 0.254 379 G HA3 -0.293 3.672 3.960 0.008 0.000 0.254 379 G C 0.598 175.251 174.900 -0.412 0.000 0.982 379 G CA 0.702 45.689 45.100 -0.188 0.000 0.632 379 G HN 0.821 nan 8.290 nan 0.000 0.529 380 T N -2.030 112.248 114.554 -0.459 0.000 2.880 380 T HA 0.710 5.065 4.350 0.008 0.000 0.279 380 T C -0.275 173.798 174.700 -1.044 0.000 0.990 380 T CA -0.568 61.167 62.100 -0.607 0.000 0.938 380 T CB 1.765 70.455 68.868 -0.298 0.000 1.206 380 T HN 0.488 nan 8.240 nan 0.000 0.573 381 Y N -1.089 118.924 120.300 -0.478 0.000 2.391 381 Y HA 0.617 5.172 4.550 0.008 0.000 0.341 381 Y C 0.742 176.382 175.900 -0.433 0.000 0.965 381 Y CA -0.952 56.835 58.100 -0.522 0.000 1.067 381 Y CB 2.077 40.005 38.460 -0.886 0.000 1.199 381 Y HN 1.103 nan 8.280 nan 0.000 0.450 382 G N 1.994 110.776 108.800 -0.029 0.000 2.425 382 G HA2 0.539 4.504 3.960 0.008 0.000 0.302 382 G HA3 0.539 4.504 3.960 0.008 0.000 0.302 382 G C -1.757 173.180 174.900 0.062 0.000 1.159 382 G CA -0.472 44.667 45.100 0.064 0.000 0.865 382 G HN 0.507 nan 8.290 nan 0.000 0.515 383 L N 1.957 123.140 121.223 -0.066 0.000 2.555 383 L HA 0.518 4.862 4.340 0.008 0.000 0.264 383 L C -1.462 175.412 176.870 0.007 0.000 0.972 383 L CA -0.752 54.069 54.840 -0.032 0.000 0.876 383 L CB 1.745 43.723 42.059 -0.135 0.000 1.216 383 L HN 0.415 nan 8.230 nan 0.000 0.415 384 L N 6.593 127.892 121.223 0.127 0.000 2.272 384 L HA 0.701 5.046 4.340 0.008 0.000 0.289 384 L C -1.050 175.921 176.870 0.168 0.000 1.032 384 L CA -0.138 54.786 54.840 0.140 0.000 0.810 384 L CB 0.900 43.061 42.059 0.170 0.000 1.205 384 L HN 0.653 nan 8.230 nan 0.000 0.422 385 Y N 1.496 121.780 120.300 -0.027 0.000 2.625 385 Y HA 0.627 5.181 4.550 0.007 0.000 0.338 385 Y C -1.138 174.763 175.900 0.002 0.000 1.123 385 Y CA -1.191 56.920 58.100 0.018 0.000 1.046 385 Y CB 1.163 39.686 38.460 0.105 0.000 1.299 385 Y HN 0.542 nan 8.280 nan 0.000 0.464 386 E N 3.086 123.396 120.200 0.184 0.000 2.046 386 E HA 0.256 4.611 4.350 0.008 0.000 0.279 386 E C -2.265 174.423 176.600 0.147 0.000 0.989 386 E CA -2.021 54.409 56.400 0.049 0.000 0.798 386 E CB 1.332 31.075 29.700 0.073 0.000 1.086 386 E HN 0.486 nan 8.360 nan 0.000 0.399 387 P HA 0.101 nan 4.420 nan 0.000 0.255 387 P C 0.723 178.050 177.300 0.045 0.000 1.248 387 P CA 0.328 63.488 63.100 0.100 0.000 0.807 387 P CB 0.686 32.373 31.700 -0.021 0.000 1.150 388 G N -0.927 107.880 108.800 0.012 0.000 2.238 388 G HA2 -0.253 3.712 3.960 0.008 0.000 0.217 388 G HA3 -0.253 3.712 3.960 0.008 0.000 0.217 388 G C 0.950 175.846 174.900 -0.007 0.000 0.996 388 G CA 0.597 45.700 45.100 0.005 0.000 0.632 388 G HN 0.409 nan 8.290 nan 0.000 0.503 389 T N -1.723 112.815 114.554 -0.027 0.000 3.069 389 T HA 0.572 4.926 4.350 0.008 0.000 0.252 389 T C 1.769 176.451 174.700 -0.031 0.000 1.053 389 T CA 1.585 63.668 62.100 -0.028 0.000 0.964 389 T CB 1.086 69.926 68.868 -0.048 0.000 1.005 389 T HN 2.225 nan 8.240 nan 0.000 0.532 390 G N 1.631 110.399 108.800 -0.053 0.000 2.013 390 G HA2 0.130 4.095 3.960 0.008 0.000 0.076 390 G HA3 0.130 4.095 3.960 0.008 0.000 0.076 390 G C -1.665 173.119 174.900 -0.194 0.000 1.053 390 G CA -0.433 44.633 45.100 -0.058 0.000 1.230 390 G HN 0.339 nan 8.290 nan 0.000 0.431 391 I N 1.442 121.790 120.570 -0.370 0.000 2.466 391 I HA 0.617 4.792 4.170 0.008 0.000 0.289 391 I C 0.016 175.840 176.117 -0.489 0.000 1.026 391 I CA -0.457 60.562 61.300 -0.468 0.000 1.078 391 I CB 1.640 39.194 38.000 -0.743 0.000 1.249 391 I HN 0.651 nan 8.210 nan 0.000 0.429 392 R N 4.909 125.106 120.500 -0.504 0.000 2.621 392 R HA 0.414 4.758 4.340 0.008 0.000 0.292 392 R C -1.790 174.289 176.300 -0.368 0.000 0.969 392 R CA -0.645 55.155 56.100 -0.499 0.000 0.887 392 R CB 2.204 32.087 30.300 -0.695 0.000 1.180 392 R HN 0.514 nan 8.270 nan 0.000 0.450 393 Y N 2.992 123.070 120.300 -0.370 0.000 2.335 393 Y HA 0.607 5.162 4.550 0.008 0.000 0.339 393 Y C -1.124 174.702 175.900 -0.123 0.000 0.987 393 Y CA -0.425 57.534 58.100 -0.235 0.000 1.140 393 Y CB 1.432 39.691 38.460 -0.335 0.000 1.173 393 Y HN 0.725 nan 8.280 nan 0.000 0.486 394 A N 5.146 127.466 122.820 -0.832 0.000 2.380 394 A HA 0.652 4.976 4.320 0.008 0.000 0.315 394 A C -1.464 175.530 177.584 -0.983 0.000 1.101 394 A CA -0.874 50.706 52.037 -0.763 0.000 0.771 394 A CB 1.253 19.994 19.000 -0.431 0.000 1.287 394 A HN 0.754 nan 8.150 nan 0.000 0.436 395 N N 0.072 118.328 118.700 -0.741 0.000 2.371 395 N HA 0.706 5.451 4.740 0.008 0.000 0.291 395 N C -1.243 174.043 175.510 -0.372 0.000 1.053 395 N CA -0.499 52.270 53.050 -0.469 0.000 0.870 395 N CB 1.144 39.473 38.487 -0.263 0.000 1.503 395 N HN 0.616 nan 8.380 nan 0.000 0.485 396 F N 1.101 120.888 119.950 -0.272 0.000 2.629 396 F HA 0.714 5.247 4.527 0.009 0.000 0.316 396 F C -0.808 175.072 175.800 0.133 0.000 1.081 396 F CA -1.058 56.858 58.000 -0.141 0.000 0.954 396 F CB 1.048 39.905 39.000 -0.238 0.000 1.337 396 F HN 0.421 nan 8.300 nan 0.000 0.474 397 N N 0.972 119.867 118.700 0.324 0.000 2.545 397 N HA 0.399 5.143 4.740 0.008 0.000 0.289 397 N C -0.145 175.703 175.510 0.564 0.000 1.279 397 N CA -1.014 52.221 53.050 0.308 0.000 0.824 397 N CB 1.063 39.667 38.487 0.196 0.000 1.395 397 N HN 0.827 nan 8.380 nan 0.000 0.526 398 L N -0.488 120.997 121.223 0.438 0.000 2.201 398 L HA 0.009 4.354 4.340 0.008 0.000 0.212 398 L C 2.302 179.362 176.870 0.318 0.000 1.105 398 L CA 1.358 56.437 54.840 0.399 0.000 0.775 398 L CB -0.669 41.589 42.059 0.332 0.000 0.913 398 L HN 0.773 nan 8.230 nan 0.000 0.440 399 A N -0.120 122.873 122.820 0.288 0.000 1.940 399 A HA -0.278 4.046 4.320 0.008 0.000 0.219 399 A C 2.005 179.735 177.584 0.243 0.000 1.176 399 A CA 1.643 53.815 52.037 0.225 0.000 0.631 399 A CB -0.970 18.148 19.000 0.197 0.000 0.814 399 A HN 0.643 nan 8.150 nan 0.000 0.446 400 W N 0.371 121.790 121.300 0.198 0.000 2.355 400 W HA -0.170 4.494 4.660 0.007 0.000 0.309 400 W C 1.693 178.302 176.519 0.151 0.000 1.206 400 W CA 1.820 59.281 57.345 0.193 0.000 1.284 400 W CB -0.423 29.211 29.460 0.291 0.000 1.145 400 W HN 0.287 nan 8.180 nan 0.000 0.502 401 L N 1.679 122.970 121.223 0.114 0.000 2.042 401 L HA 0.087 4.431 4.340 0.008 0.000 0.210 401 L C 2.056 178.783 176.870 -0.239 0.000 1.076 401 L CA 2.701 57.414 54.840 -0.212 0.000 0.749 401 L CB -1.247 40.919 42.059 0.178 0.000 0.893 401 L HN 0.415 nan 8.230 nan 0.000 0.432 402 G N -1.600 107.164 108.800 -0.060 0.000 2.149 402 G HA2 -0.159 3.805 3.960 0.008 0.000 0.235 402 G HA3 -0.159 3.805 3.960 0.008 0.000 0.235 402 G C 0.538 175.424 174.900 -0.024 0.000 1.018 402 G CA 0.179 45.243 45.100 -0.059 0.000 0.728 402 G HN 0.882 nan 8.290 nan 0.000 0.508 403 G N -1.006 107.806 108.800 0.021 0.000 2.462 403 G HA2 0.696 4.661 3.960 0.008 0.000 0.319 403 G HA3 0.696 4.661 3.960 0.008 0.000 0.319 403 G C -0.250 174.685 174.900 0.058 0.000 1.171 403 G CA -0.547 44.577 45.100 0.041 0.000 0.920 403 G HN 0.907 nan 8.290 nan 0.000 0.499 404 I N -0.356 120.249 120.570 0.059 0.000 2.530 404 I HA 0.301 4.476 4.170 0.008 0.000 0.297 404 I C -0.306 175.853 176.117 0.070 0.000 1.011 404 I CA -0.951 60.385 61.300 0.059 0.000 1.107 404 I CB 1.731 39.756 38.000 0.042 0.000 1.285 404 I HN 0.375 nan 8.210 nan 0.000 0.436 405 c N 7.297 125.935 118.600 0.063 0.000 2.645 405 c HA 0.512 5.087 4.570 0.008 0.000 0.451 405 c C 0.735 174.858 174.090 0.054 0.000 1.018 405 c CA -0.210 56.152 56.329 0.055 0.000 1.180 405 c CB -2.072 40.465 42.510 0.044 0.000 1.563 405 c HN 0.648 nan 8.230 nan 0.000 0.551 406 A N 4.431 127.300 122.820 0.082 0.000 3.300 406 A HA 0.486 4.811 4.320 0.008 0.000 0.300 406 A C -2.591 175.108 177.584 0.192 0.000 1.099 406 A CA -0.774 51.322 52.037 0.098 0.000 0.846 406 A CB 0.296 19.336 19.000 0.068 0.000 1.255 406 A HN 0.502 nan 8.150 nan 0.000 0.519 407 P HA 0.385 nan 4.420 nan 0.000 0.265 407 P C -0.651 176.792 177.300 0.239 0.000 1.193 407 P CA 0.517 63.702 63.100 0.142 0.000 0.765 407 P CB 0.204 31.927 31.700 0.038 0.000 0.823 408 F N -0.753 119.204 119.950 0.012 0.000 2.643 408 F HA 0.769 5.300 4.527 0.008 0.000 0.314 408 F C -0.717 175.086 175.800 0.006 0.000 1.096 408 F CA -1.055 56.947 58.000 0.004 0.000 0.953 408 F CB 1.560 40.560 39.000 0.000 0.000 1.345 408 F HN 0.323 nan 8.300 nan 0.000 0.468 409 T N 0.223 114.832 114.554 0.091 0.000 2.863 409 T HA 0.815 5.170 4.350 0.008 0.000 0.285 409 T C -1.001 173.710 174.700 0.020 0.000 1.009 409 T CA -0.605 61.483 62.100 -0.020 0.000 0.989 409 T CB 1.706 70.569 68.868 -0.007 0.000 1.004 409 T HN 0.747 nan 8.240 nan 0.000 0.455 410 I N 3.647 124.176 120.570 -0.067 0.000 2.499 410 I HA 0.425 4.600 4.170 0.008 0.000 0.288 410 I C -2.291 173.730 176.117 -0.161 0.000 1.048 410 I CA -2.528 58.657 61.300 -0.191 0.000 1.062 410 I CB 2.902 40.621 38.000 -0.468 0.000 1.238 410 I HN 0.539 nan 8.210 nan 0.000 0.426 411 P HA 0.207 nan 4.420 nan 0.000 0.276 411 P C -1.108 176.212 177.300 0.035 0.000 1.244 411 P CA -0.407 62.672 63.100 -0.036 0.000 0.801 411 P CB 0.771 32.454 31.700 -0.029 0.000 1.006 412 D N -0.247 120.223 120.400 0.116 0.000 2.423 412 D HA 0.234 4.879 4.640 0.008 0.000 0.238 412 D C -0.210 176.177 176.300 0.145 0.000 1.142 412 D CA 0.332 54.446 54.000 0.190 0.000 0.884 412 D CB 0.626 41.505 40.800 0.132 0.000 1.199 412 D HN 0.005 nan 8.370 nan 0.000 0.438 413 V N 0.151 120.178 119.914 0.188 0.000 2.971 413 V HA 0.707 4.832 4.120 0.008 0.000 0.309 413 V C -1.453 174.710 176.094 0.116 0.000 1.130 413 V CA -0.602 61.777 62.300 0.131 0.000 0.964 413 V CB 2.056 33.956 31.823 0.129 0.000 1.029 413 V HN 0.677 nan 8.190 nan 0.000 0.427 414 A N 5.539 128.401 122.820 0.070 0.000 2.365 414 A HA 0.997 5.322 4.320 0.008 0.000 0.318 414 A C -1.268 176.328 177.584 0.020 0.000 1.091 414 A CA -0.456 51.612 52.037 0.050 0.000 0.763 414 A CB 1.497 20.521 19.000 0.039 0.000 1.248 414 A HN 1.657 nan 8.150 nan 0.000 0.442 415 L N -1.185 120.035 121.223 -0.004 0.000 2.654 415 L HA 0.807 5.151 4.340 0.008 0.000 0.257 415 L C -0.824 176.016 176.870 -0.051 0.000 1.093 415 L CA -1.052 53.766 54.840 -0.037 0.000 0.903 415 L CB 0.523 42.540 42.059 -0.071 0.000 1.520 415 L HN 0.485 nan 8.230 nan 0.000 0.402 416 E N 0.938 121.102 120.200 -0.061 0.000 2.248 416 E HA 0.518 4.872 4.350 0.008 0.000 0.272 416 E C -2.538 173.995 176.600 -0.112 0.000 1.008 416 E CA -2.113 54.249 56.400 -0.063 0.000 0.856 416 E CB 0.580 30.256 29.700 -0.040 0.000 1.120 416 E HN 0.509 nan 8.360 nan 0.000 0.397 417 P HA 0.004 nan 4.420 nan 0.000 0.266 417 P C 0.627 177.855 177.300 -0.121 0.000 1.195 417 P CA 0.627 63.643 63.100 -0.141 0.000 0.768 417 P CB 0.316 31.964 31.700 -0.086 0.000 0.838 418 G N 0.771 109.482 108.800 -0.148 0.000 2.147 418 G HA2 -0.223 3.742 3.960 0.008 0.000 0.244 418 G HA3 -0.223 3.742 3.960 0.008 0.000 0.244 418 G C -0.066 174.771 174.900 -0.105 0.000 1.005 418 G CA -0.114 44.920 45.100 -0.110 0.000 0.713 418 G HN 0.625 nan 8.290 nan 0.000 0.515 419 Q N -1.131 118.587 119.800 -0.136 0.000 2.496 419 Q HA 0.676 5.021 4.340 0.008 0.000 0.286 419 Q C -0.330 175.593 176.000 -0.129 0.000 1.103 419 Q CA -0.850 54.887 55.803 -0.110 0.000 0.813 419 Q CB 1.852 30.534 28.738 -0.094 0.000 1.444 419 Q HN 0.392 nan 8.270 nan 0.000 0.443 420 Q N 0.667 120.414 119.800 -0.089 0.000 2.413 420 Q HA 0.744 5.088 4.340 0.008 0.000 0.276 420 Q C -2.006 173.964 176.000 -0.051 0.000 1.099 420 Q CA -0.602 55.156 55.803 -0.076 0.000 0.814 420 Q CB 2.534 31.240 28.738 -0.053 0.000 1.379 420 Q HN 0.458 nan 8.270 nan 0.000 0.436 421 V N 1.582 121.475 119.914 -0.034 0.000 3.087 421 V HA 0.618 4.743 4.120 0.008 0.000 0.306 421 V C -1.464 174.632 176.094 0.003 0.000 1.187 421 V CA -0.239 62.053 62.300 -0.013 0.000 0.999 421 V CB 2.837 34.656 31.823 -0.007 0.000 1.049 421 V HN 0.967 nan 8.190 nan 0.000 0.431 422 T N 4.617 119.171 114.554 -0.001 0.000 2.807 422 T HA 0.675 5.030 4.350 0.008 0.000 0.279 422 T C -0.626 174.065 174.700 -0.014 0.000 0.993 422 T CA -0.323 61.776 62.100 -0.002 0.000 0.970 422 T CB 1.390 70.254 68.868 -0.007 0.000 0.950 422 T HN 1.035 nan 8.240 nan 0.000 0.441 423 V N 1.632 121.525 119.914 -0.034 0.000 2.715 423 V HA 0.839 4.964 4.120 0.008 0.000 0.310 423 V C -2.734 173.315 176.094 -0.076 0.000 1.054 423 V CA -2.986 59.274 62.300 -0.068 0.000 0.928 423 V CB 1.629 33.368 31.823 -0.139 0.000 1.007 423 V HN 0.601 nan 8.190 nan 0.000 0.437 424 P HA 0.434 nan 4.420 nan 0.000 0.281 424 P C -0.887 176.379 177.300 -0.056 0.000 1.249 424 P CA -0.326 62.744 63.100 -0.049 0.000 0.810 424 P CB 1.804 33.485 31.700 -0.032 0.000 1.008 425 V N 1.657 121.554 119.914 -0.028 0.000 2.459 425 V HA 0.648 4.773 4.120 0.008 0.000 0.295 425 V C 0.217 176.328 176.094 0.028 0.000 1.029 425 V CA -0.741 61.569 62.300 0.015 0.000 0.874 425 V CB 1.418 33.244 31.823 0.005 0.000 0.985 425 V HN 0.759 nan 8.190 nan 0.000 0.438 426 A N 4.541 127.405 122.820 0.074 0.000 2.340 426 A HA 0.776 5.100 4.320 0.008 0.000 0.297 426 A C -0.836 176.819 177.584 0.118 0.000 1.195 426 A CA -0.467 51.607 52.037 0.061 0.000 0.769 426 A CB 1.181 20.206 19.000 0.042 0.000 1.163 426 A HN 0.649 nan 8.150 nan 0.000 0.472 427 V N 2.622 122.582 119.914 0.077 0.000 2.370 427 V HA 0.385 4.510 4.120 0.008 0.000 0.279 427 V C 0.312 176.442 176.094 0.061 0.000 1.029 427 V CA -0.203 62.153 62.300 0.092 0.000 0.870 427 V CB 1.383 33.194 31.823 -0.020 0.000 0.984 427 V HN 0.824 nan 8.190 nan 0.000 0.451 428 T N 4.421 119.023 114.554 0.079 0.000 2.762 428 T HA 0.191 4.545 4.350 0.008 0.000 0.303 428 T C 0.193 174.916 174.700 0.039 0.000 0.977 428 T CA -0.226 61.900 62.100 0.044 0.000 0.961 428 T CB 0.049 68.938 68.868 0.035 0.000 0.944 428 T HN 0.622 nan 8.240 nan 0.000 0.481 429 N N 3.046 121.759 118.700 0.022 0.000 2.402 429 N HA 0.091 4.836 4.740 0.008 0.000 0.252 429 N C 0.727 176.245 175.510 0.014 0.000 1.118 429 N CA -0.094 52.967 53.050 0.017 0.000 0.945 429 N CB 0.722 39.213 38.487 0.006 0.000 1.147 429 N HN 0.539 nan 8.380 nan 0.000 0.495 430 Q N 1.043 120.854 119.800 0.018 0.000 2.247 430 Q HA 0.053 4.397 4.340 0.008 0.000 0.204 430 Q C 1.164 177.173 176.000 0.014 0.000 0.872 430 Q CA -0.030 55.779 55.803 0.012 0.000 0.951 430 Q CB 0.357 29.100 28.738 0.008 0.000 1.099 430 Q HN 0.760 nan 8.270 nan 0.000 0.501 431 S N -0.796 114.914 115.700 0.017 0.000 2.461 431 S HA 0.052 4.526 4.470 0.008 0.000 0.228 431 S C 1.703 176.311 174.600 0.012 0.000 1.005 431 S CA 0.700 58.912 58.200 0.020 0.000 0.942 431 S CB -0.018 63.196 63.200 0.022 0.000 0.776 431 S HN 0.487 nan 8.310 nan 0.000 0.514 432 G N 1.429 110.233 108.800 0.007 0.000 2.184 432 G HA2 -0.269 3.695 3.960 0.008 0.000 0.264 432 G HA3 -0.269 3.695 3.960 0.008 0.000 0.264 432 G C 0.068 174.970 174.900 0.003 0.000 0.975 432 G CA 0.576 45.677 45.100 0.003 0.000 0.642 432 G HN 1.174 nan 8.290 nan 0.000 0.536 433 I N -2.606 117.967 120.570 0.005 0.000 2.957 433 I HA 0.917 5.092 4.170 0.008 0.000 0.310 433 I C 0.248 176.365 176.117 0.000 0.000 1.063 433 I CA -1.182 60.120 61.300 0.003 0.000 1.033 433 I CB 2.117 40.121 38.000 0.007 0.000 1.230 433 I HN 0.438 nan 8.210 nan 0.000 0.447 434 A N 3.639 126.458 122.820 -0.001 0.000 2.363 434 A HA 0.651 4.976 4.320 0.008 0.000 0.270 434 A C -0.399 177.182 177.584 -0.005 0.000 1.121 434 A CA -0.425 51.609 52.037 -0.004 0.000 0.800 434 A CB 0.679 19.676 19.000 -0.004 0.000 1.052 434 A HN 0.596 nan 8.150 nan 0.000 0.493 435 V N 5.845 125.753 119.914 -0.010 0.000 2.305 435 V HA 0.254 4.379 4.120 0.008 0.000 0.275 435 V C -1.602 174.482 176.094 -0.017 0.000 1.020 435 V CA -0.828 61.464 62.300 -0.013 0.000 0.811 435 V CB 1.451 33.263 31.823 -0.019 0.000 1.031 435 V HN 0.878 nan 8.190 nan 0.000 0.439 436 P HA -0.052 nan 4.420 nan 0.000 0.221 436 P C 0.330 177.619 177.300 -0.018 0.000 1.150 436 P CA 0.964 64.055 63.100 -0.014 0.000 0.800 436 P CB 0.429 32.124 31.700 -0.009 0.000 0.787 437 K N 0.323 120.711 120.400 -0.019 0.000 3.029 437 K HA 0.296 4.620 4.320 0.008 0.000 0.169 437 K C -2.467 174.116 176.600 -0.029 0.000 1.090 437 K CA -1.407 54.867 56.287 -0.022 0.000 0.883 437 K CB 1.085 33.576 32.500 -0.015 0.000 1.080 437 K HN 0.160 nan 8.250 nan 0.000 0.613 438 P HA 0.087 nan 4.420 nan 0.000 0.274 438 P C -0.365 176.900 177.300 -0.058 0.000 1.237 438 P CA -0.231 62.836 63.100 -0.056 0.000 0.793 438 P CB 1.312 32.965 31.700 -0.080 0.000 0.977 439 S N 0.611 116.274 115.700 -0.062 0.000 2.599 439 S HA 0.685 5.160 4.470 0.008 0.000 0.294 439 S C -1.017 173.541 174.600 -0.071 0.000 1.094 439 S CA -0.796 57.372 58.200 -0.054 0.000 0.931 439 S CB 1.374 64.556 63.200 -0.030 0.000 1.093 439 S HN 0.312 nan 8.310 nan 0.000 0.488 440 L N 1.508 122.699 121.223 -0.052 0.000 2.356 440 L HA 0.565 4.909 4.340 0.008 0.000 0.277 440 L C -0.665 176.211 176.870 0.010 0.000 0.996 440 L CA -0.212 54.602 54.840 -0.043 0.000 0.822 440 L CB 1.778 43.804 42.059 -0.055 0.000 1.256 440 L HN 0.969 nan 8.230 nan 0.000 0.413 441 Q N 4.455 124.276 119.800 0.035 0.000 2.333 441 Q HA 0.640 4.985 4.340 0.008 0.000 0.268 441 Q C -1.850 174.199 176.000 0.082 0.000 1.007 441 Q CA -0.645 55.187 55.803 0.047 0.000 0.810 441 Q CB 1.490 30.247 28.738 0.032 0.000 1.264 441 Q HN 0.674 nan 8.270 nan 0.000 0.452 442 L N 2.907 124.182 121.223 0.085 0.000 2.325 442 L HA 0.436 4.781 4.340 0.008 0.000 0.278 442 L C -0.583 176.319 176.870 0.053 0.000 1.023 442 L CA -0.616 54.288 54.840 0.108 0.000 0.811 442 L CB 1.723 43.873 42.059 0.152 0.000 1.249 442 L HN 0.597 nan 8.230 nan 0.000 0.431 443 D N 2.356 122.771 120.400 0.025 0.000 2.464 443 D HA 0.686 5.331 4.640 0.008 0.000 0.243 443 D C -0.899 175.347 176.300 -0.090 0.000 1.104 443 D CA -0.066 53.916 54.000 -0.030 0.000 0.883 443 D CB 1.222 42.002 40.800 -0.032 0.000 1.050 443 D HN 0.618 nan 8.370 nan 0.000 0.524 444 A N 2.038 124.788 122.820 -0.117 0.000 2.524 444 A HA 0.715 5.039 4.320 0.008 0.000 0.286 444 A C -0.172 177.197 177.584 -0.358 0.000 1.203 444 A CA -0.735 51.147 52.037 -0.257 0.000 0.736 444 A CB 0.995 19.897 19.000 -0.163 0.000 1.322 444 A HN 0.335 nan 8.150 nan 0.000 0.424 445 S N 2.133 117.398 115.700 -0.725 0.000 2.558 445 S HA 0.160 4.634 4.470 0.008 0.000 0.293 445 S C -1.411 173.000 174.600 -0.316 0.000 1.292 445 S CA 0.063 57.876 58.200 -0.644 0.000 1.063 445 S CB 0.361 62.886 63.200 -1.125 0.000 0.831 445 S HN 0.565 nan 8.310 nan 0.000 0.499 446 P HA -0.104 nan 4.420 nan 0.000 0.225 446 P C 0.529 177.840 177.300 0.017 0.000 1.148 446 P CA 0.945 64.014 63.100 -0.051 0.000 0.779 446 P CB -0.004 31.671 31.700 -0.042 0.000 0.780 447 D N -2.743 117.687 120.400 0.050 0.000 2.339 447 D HA -0.046 4.599 4.640 0.008 0.000 0.217 447 D C 0.176 176.653 176.300 0.295 0.000 1.050 447 D CA -0.236 53.850 54.000 0.144 0.000 0.856 447 D CB -0.576 40.305 40.800 0.135 0.000 0.922 447 D HN 0.050 nan 8.370 nan 0.000 0.518 448 W N 1.080 122.350 121.300 -0.050 0.000 2.359 448 W HA 0.520 5.185 4.660 0.008 0.000 0.344 448 W C 0.103 176.604 176.519 -0.030 0.000 1.170 448 W CA -0.928 56.384 57.345 -0.056 0.000 1.296 448 W CB 0.282 29.693 29.460 -0.081 0.000 1.197 448 W HN -0.238 nan 8.180 nan 0.000 0.618 449 Q N 0.885 120.797 119.800 0.187 0.000 2.347 449 Q HA 0.580 4.925 4.340 0.008 0.000 0.262 449 Q C -0.954 175.124 176.000 0.130 0.000 0.980 449 Q CA -0.435 55.439 55.803 0.119 0.000 0.867 449 Q CB 1.704 30.476 28.738 0.057 0.000 1.242 449 Q HN 0.149 nan 8.270 nan 0.000 0.453 450 V N 3.522 123.516 119.914 0.134 0.000 2.623 450 V HA 0.576 4.701 4.120 0.008 0.000 0.304 450 V C -0.722 175.435 176.094 0.105 0.000 1.054 450 V CA -0.757 61.630 62.300 0.145 0.000 0.882 450 V CB 1.754 33.697 31.823 0.200 0.000 1.002 450 V HN 0.816 nan 8.190 nan 0.000 0.424 451 Q N 3.116 122.971 119.800 0.091 0.000 2.462 451 Q HA 0.905 5.249 4.340 0.008 0.000 0.285 451 Q C -0.602 175.434 176.000 0.060 0.000 1.035 451 Q CA -0.934 54.908 55.803 0.066 0.000 0.799 451 Q CB 3.058 31.822 28.738 0.043 0.000 1.452 451 Q HN 0.854 nan 8.270 nan 0.000 0.404 452 G N 0.145 108.971 108.800 0.043 0.000 2.682 452 G HA2 0.696 4.661 3.960 0.008 0.000 0.290 452 G HA3 0.696 4.661 3.960 0.008 0.000 0.290 452 G C -1.380 173.520 174.900 0.000 0.000 1.425 452 G CA -0.295 44.820 45.100 0.025 0.000 0.807 452 G HN 0.999 nan 8.290 nan 0.000 0.482 453 S N -2.119 113.570 115.700 -0.018 0.000 2.579 453 S HA 0.820 5.295 4.470 0.008 0.000 0.272 453 S C -1.519 173.049 174.600 -0.053 0.000 1.141 453 S CA -0.716 57.465 58.200 -0.032 0.000 0.843 453 S CB 1.803 64.990 63.200 -0.022 0.000 1.122 453 S HN 1.946 nan 8.310 nan 0.000 0.468 454 V N 0.681 120.556 119.914 -0.065 0.000 2.888 454 V HA 0.554 4.679 4.120 0.008 0.000 0.309 454 V C -0.927 175.130 176.094 -0.062 0.000 1.114 454 V CA -0.626 61.626 62.300 -0.080 0.000 0.940 454 V CB 1.922 33.662 31.823 -0.139 0.000 1.021 454 V HN 1.084 nan 8.190 nan 0.000 0.426 455 E N 5.276 125.444 120.200 -0.052 0.000 2.392 455 E HA 0.317 4.671 4.350 0.008 0.000 0.256 455 E C -2.450 174.124 176.600 -0.042 0.000 1.145 455 E CA -1.512 54.864 56.400 -0.039 0.000 0.929 455 E CB 0.507 30.189 29.700 -0.030 0.000 0.998 455 E HN 0.561 nan 8.360 nan 0.000 0.442 456 P HA -0.055 nan 4.420 nan 0.000 0.266 456 P C -0.763 176.520 177.300 -0.030 0.000 1.193 456 P CA 0.490 63.572 63.100 -0.030 0.000 0.770 456 P CB 0.386 32.073 31.700 -0.021 0.000 0.836 457 L N 3.434 124.639 121.223 -0.030 0.000 2.326 457 L HA 0.399 4.744 4.340 0.008 0.000 0.278 457 L C 0.529 177.390 176.870 -0.016 0.000 1.092 457 L CA -0.014 54.812 54.840 -0.025 0.000 0.810 457 L CB 0.219 42.263 42.059 -0.026 0.000 1.153 457 L HN 0.318 nan 8.230 nan 0.000 0.439 458 M N 3.803 123.396 119.600 -0.012 0.000 2.465 458 M HA 0.434 4.919 4.480 0.008 0.000 0.316 458 M C -2.449 173.848 176.300 -0.005 0.000 1.121 458 M CA -1.876 53.419 55.300 -0.008 0.000 0.934 458 M CB 2.518 35.113 32.600 -0.008 0.000 1.692 458 M HN 0.222 nan 8.290 nan 0.000 0.444 459 P HA 0.048 nan 4.420 nan 0.000 0.264 459 P C 0.681 177.979 177.300 -0.003 0.000 1.183 459 P CA 0.937 64.035 63.100 -0.002 0.000 0.763 459 P CB 0.383 32.082 31.700 -0.003 0.000 0.807 460 G N 1.901 110.700 108.800 -0.001 0.000 2.187 460 G HA2 -0.288 3.677 3.960 0.008 0.000 0.261 460 G HA3 -0.288 3.677 3.960 0.008 0.000 0.261 460 G C 0.143 175.042 174.900 -0.002 0.000 1.000 460 G CA 0.025 45.124 45.100 -0.002 0.000 0.718 460 G HN 0.593 nan 8.290 nan 0.000 0.519 461 R N -0.731 119.768 120.500 -0.001 0.000 2.854 461 R HA 0.496 4.841 4.340 0.008 0.000 0.271 461 R C -0.253 176.047 176.300 0.000 0.000 0.994 461 R CA -0.961 55.138 56.100 -0.002 0.000 0.945 461 R CB 1.025 31.322 30.300 -0.004 0.000 1.194 461 R HN 0.212 nan 8.270 nan 0.000 0.476 462 Q N 0.528 120.328 119.800 0.001 0.000 2.259 462 Q HA 0.463 4.807 4.340 0.008 0.000 0.249 462 Q C -0.715 175.283 176.000 -0.003 0.000 0.914 462 Q CA -0.234 55.572 55.803 0.004 0.000 0.904 462 Q CB 1.972 30.713 28.738 0.005 0.000 1.213 462 Q HN 0.601 nan 8.270 nan 0.000 0.428 463 A N 2.455 125.272 122.820 -0.006 0.000 2.355 463 A HA 0.557 4.881 4.320 0.008 0.000 0.324 463 A C -0.537 177.036 177.584 -0.018 0.000 1.117 463 A CA -0.802 51.224 52.037 -0.018 0.000 0.785 463 A CB 1.061 20.041 19.000 -0.032 0.000 1.254 463 A HN 0.714 nan 8.150 nan 0.000 0.453 464 K N 1.108 121.495 120.400 -0.022 0.000 2.118 464 K HA 0.803 5.128 4.320 0.008 0.000 0.254 464 K C 0.058 176.637 176.600 -0.035 0.000 0.961 464 K CA -0.194 56.080 56.287 -0.022 0.000 0.876 464 K CB 1.864 34.354 32.500 -0.017 0.000 1.077 464 K HN 0.897 nan 8.250 nan 0.000 0.440 465 G N 0.504 109.283 108.800 -0.035 0.000 2.749 465 G HA2 0.440 4.405 3.960 0.008 0.000 0.300 465 G HA3 0.440 4.405 3.960 0.008 0.000 0.300 465 G C -1.924 172.956 174.900 -0.034 0.000 1.352 465 G CA -0.879 44.195 45.100 -0.043 0.000 0.789 465 G HN 0.806 nan 8.290 nan 0.000 0.509 466 Q N -1.658 118.122 119.800 -0.033 0.000 2.435 466 Q HA 0.711 5.055 4.340 0.008 0.000 0.282 466 Q C -2.040 173.949 176.000 -0.019 0.000 1.020 466 Q CA -0.990 54.796 55.803 -0.029 0.000 0.820 466 Q CB 2.541 31.267 28.738 -0.021 0.000 1.436 466 Q HN 0.514 nan 8.270 nan 0.000 0.395 467 V N 1.431 121.332 119.914 -0.021 0.000 2.531 467 V HA 0.527 4.652 4.120 0.008 0.000 0.301 467 V C -0.692 175.421 176.094 0.031 0.000 1.034 467 V CA -0.452 61.859 62.300 0.018 0.000 0.865 467 V CB 2.076 33.913 31.823 0.023 0.000 0.995 467 V HN 0.939 nan 8.190 nan 0.000 0.424 468 T N 5.955 120.538 114.554 0.048 0.000 2.829 468 T HA 0.761 5.116 4.350 0.008 0.000 0.282 468 T C -0.461 174.285 174.700 0.077 0.000 0.990 468 T CA -0.197 61.929 62.100 0.045 0.000 1.028 468 T CB 1.304 70.187 68.868 0.024 0.000 0.951 468 T HN 0.359 nan 8.240 nan 0.000 0.460 469 I N 2.490 123.099 120.570 0.066 0.000 2.418 469 I HA 0.355 4.529 4.170 0.008 0.000 0.287 469 I C 0.073 176.166 176.117 -0.039 0.000 1.008 469 I CA -0.382 60.959 61.300 0.069 0.000 1.104 469 I CB 2.109 40.177 38.000 0.113 0.000 1.264 469 I HN 0.557 nan 8.210 nan 0.000 0.438 470 T N 5.363 119.879 114.554 -0.063 0.000 2.807 470 T HA 0.618 4.973 4.350 0.008 0.000 0.279 470 T C -0.433 174.068 174.700 -0.332 0.000 0.993 470 T CA -0.576 61.431 62.100 -0.155 0.000 0.970 470 T CB 1.746 70.564 68.868 -0.084 0.000 0.950 470 T HN 0.158 nan 8.240 nan 0.000 0.441 471 V N 5.746 125.364 119.914 -0.493 0.000 2.448 471 V HA 0.385 4.510 4.120 0.008 0.000 0.295 471 V C -2.306 173.521 176.094 -0.446 0.000 1.025 471 V CA -2.322 59.476 62.300 -0.837 0.000 0.859 471 V CB 1.643 32.809 31.823 -1.095 0.000 0.988 471 V HN 0.681 nan 8.190 nan 0.000 0.431 472 P HA 0.180 nan 4.420 nan 0.000 0.269 472 P C -0.180 177.043 177.300 -0.128 0.000 1.209 472 P CA 0.042 63.053 63.100 -0.148 0.000 0.776 472 P CB 0.501 32.170 31.700 -0.052 0.000 0.876 473 A N 2.565 125.336 122.820 -0.082 0.000 2.555 473 A HA 0.379 4.704 4.320 0.008 0.000 0.233 473 A C 1.624 179.187 177.584 -0.034 0.000 1.060 473 A CA 0.981 52.983 52.037 -0.058 0.000 0.759 473 A CB -1.411 17.567 19.000 -0.037 0.000 0.995 473 A HN 0.871 nan 8.150 nan 0.000 0.506 474 G N 0.988 109.773 108.800 -0.024 0.000 2.268 474 G HA2 -0.233 3.732 3.960 0.008 0.000 0.240 474 G HA3 -0.233 3.732 3.960 0.008 0.000 0.240 474 G C 0.634 175.546 174.900 0.020 0.000 1.010 474 G CA 0.554 45.655 45.100 0.000 0.000 0.618 474 G HN 1.353 nan 8.290 nan 0.000 0.516 475 T N 2.758 117.318 114.554 0.009 0.000 2.923 475 T HA 0.380 4.734 4.350 0.008 0.000 0.304 475 T C 0.868 175.630 174.700 0.103 0.000 1.044 475 T CA 1.164 63.300 62.100 0.059 0.000 1.141 475 T CB 0.664 69.519 68.868 -0.022 0.000 1.023 475 T HN 0.358 nan 8.240 nan 0.000 0.533 476 T N 6.497 121.162 114.554 0.184 0.000 2.901 476 T HA 0.220 4.575 4.350 0.008 0.000 0.301 476 T C -2.060 172.784 174.700 0.239 0.000 1.012 476 T CA -0.908 61.299 62.100 0.178 0.000 1.135 476 T CB 0.500 69.468 68.868 0.167 0.000 0.936 476 T HN 0.346 nan 8.240 nan 0.000 0.539 477 P HA 0.432 nan 4.420 nan 0.000 0.266 477 P C 0.138 177.537 177.300 0.165 0.000 1.195 477 P CA 0.223 63.414 63.100 0.152 0.000 0.768 477 P CB 0.580 32.319 31.700 0.065 0.000 0.838 478 G N 1.534 110.460 108.800 0.210 0.000 2.322 478 G HA2 0.314 4.278 3.960 0.008 0.000 0.295 478 G HA3 0.314 4.278 3.960 0.008 0.000 0.295 478 G C -1.726 173.215 174.900 0.068 0.000 1.369 478 G CA -0.898 44.218 45.100 0.027 0.000 0.821 478 G HN 0.356 nan 8.290 nan 0.000 0.536 479 R N -0.147 120.287 120.500 -0.110 0.000 2.295 479 R HA 0.498 4.843 4.340 0.008 0.000 0.324 479 R C -1.484 174.731 176.300 -0.142 0.000 0.968 479 R CA -0.493 55.603 56.100 -0.006 0.000 0.837 479 R CB 1.561 31.854 30.300 -0.012 0.000 1.133 479 R HN 0.498 nan 8.270 nan 0.000 0.450 480 Y N 1.570 121.899 120.300 0.048 0.000 2.326 480 Y HA 0.305 4.860 4.550 0.008 0.000 0.331 480 Y C 0.344 176.187 175.900 -0.096 0.000 0.962 480 Y CA -0.978 57.111 58.100 -0.018 0.000 1.167 480 Y CB 1.568 40.071 38.460 0.072 0.000 1.148 480 Y HN 0.326 nan 8.280 nan 0.000 0.463 481 R N 1.808 122.282 120.500 -0.044 0.000 2.438 481 R HA 0.589 4.933 4.340 0.008 0.000 0.287 481 R C -1.541 174.629 176.300 -0.216 0.000 1.077 481 R CA -0.186 55.839 56.100 -0.124 0.000 1.034 481 R CB 0.535 30.773 30.300 -0.104 0.000 0.993 481 R HN 0.507 nan 8.270 nan 0.000 0.459 482 V N 3.754 123.439 119.914 -0.382 0.000 2.531 482 V HA 0.546 4.671 4.120 0.008 0.000 0.301 482 V C 0.426 176.326 176.094 -0.323 0.000 1.034 482 V CA -0.784 61.242 62.300 -0.457 0.000 0.865 482 V CB 1.927 33.280 31.823 -0.783 0.000 0.995 482 V HN 0.928 nan 8.190 nan 0.000 0.424 483 G N 2.845 111.569 108.800 -0.126 0.000 2.420 483 G HA2 0.677 4.642 3.960 0.008 0.000 0.284 483 G HA3 0.677 4.642 3.960 0.008 0.000 0.284 483 G C -0.425 174.548 174.900 0.122 0.000 1.177 483 G CA -0.007 45.093 45.100 0.001 0.000 0.841 483 G HN 1.195 nan 8.290 nan 0.000 0.527 484 A N 1.406 124.351 122.820 0.208 0.000 2.381 484 A HA 0.770 5.094 4.320 0.008 0.000 0.299 484 A C -0.266 177.531 177.584 0.356 0.000 1.049 484 A CA -0.564 51.664 52.037 0.319 0.000 0.715 484 A CB 1.737 21.030 19.000 0.489 0.000 1.222 484 A HN 0.639 nan 8.150 nan 0.000 0.428 485 T N 2.821 117.532 114.554 0.262 0.000 2.815 485 T HA 0.421 4.775 4.350 0.008 0.000 0.289 485 T C -0.541 174.219 174.700 0.100 0.000 1.000 485 T CA -0.246 61.986 62.100 0.220 0.000 0.958 485 T CB 0.875 69.808 68.868 0.107 0.000 0.944 485 T HN 0.612 nan 8.240 nan 0.000 0.442 486 L N 5.034 126.274 121.223 0.028 0.000 2.369 486 L HA 0.391 4.736 4.340 0.008 0.000 0.279 486 L C 0.077 176.916 176.870 -0.053 0.000 1.108 486 L CA 0.298 55.031 54.840 -0.179 0.000 0.852 486 L CB -0.113 41.692 42.059 -0.423 0.000 1.169 486 L HN 0.482 nan 8.230 nan 0.000 0.452 487 R N 3.612 124.079 120.500 -0.054 0.000 2.387 487 R HA 0.639 4.984 4.340 0.008 0.000 0.314 487 R C -0.469 175.812 176.300 -0.033 0.000 0.958 487 R CA -0.407 55.677 56.100 -0.027 0.000 0.846 487 R CB 1.603 31.893 30.300 -0.017 0.000 1.147 487 R HN 0.783 nan 8.270 nan 0.000 0.447 488 T N -2.270 112.272 114.554 -0.021 0.000 2.864 488 T HA 0.131 4.486 4.350 0.008 0.000 0.299 488 T C 1.161 175.857 174.700 -0.006 0.000 1.166 488 T CA -0.619 61.470 62.100 -0.018 0.000 1.007 488 T CB 1.622 70.479 68.868 -0.019 0.000 1.219 488 T HN 0.445 nan 8.240 nan 0.000 0.506 489 S N 0.423 116.121 115.700 -0.004 0.000 2.440 489 S HA 0.001 4.476 4.470 0.008 0.000 0.238 489 S C 1.892 176.498 174.600 0.011 0.000 1.010 489 S CA 0.682 58.885 58.200 0.004 0.000 0.972 489 S CB -0.794 62.408 63.200 0.004 0.000 0.774 489 S HN 1.212 nan 8.310 nan 0.000 0.501 490 A N 0.725 123.552 122.820 0.011 0.000 2.345 490 A HA 0.658 4.983 4.320 0.008 0.000 0.225 490 A C 1.073 178.672 177.584 0.025 0.000 1.243 490 A CA 0.191 52.240 52.037 0.020 0.000 0.875 490 A CB -0.549 18.463 19.000 0.019 0.000 0.929 490 A HN 1.427 nan 8.150 nan 0.000 0.502 491 G N -0.689 108.121 108.800 0.017 0.000 2.371 491 G HA2 0.135 4.100 3.960 0.008 0.000 0.663 491 G HA3 0.135 4.100 3.960 0.008 0.000 0.663 491 G C -1.663 173.245 174.900 0.013 0.000 1.311 491 G CA -0.747 44.363 45.100 0.016 0.000 0.985 491 G HN 0.281 nan 8.290 nan 0.000 0.566 492 N N -0.393 118.316 118.700 0.015 0.000 2.328 492 N HA 0.918 5.663 4.740 0.008 0.000 0.299 492 N C 0.047 175.598 175.510 0.069 0.000 1.179 492 N CA 0.379 53.446 53.050 0.028 0.000 0.793 492 N CB 1.987 40.480 38.487 0.011 0.000 1.366 492 N HN 1.459 nan 8.380 nan 0.000 0.493 493 A N -0.214 122.685 122.820 0.133 0.000 2.569 493 A HA 0.872 5.197 4.320 0.008 0.000 0.290 493 A C -0.882 176.919 177.584 0.363 0.000 1.136 493 A CA -0.491 51.685 52.037 0.231 0.000 0.710 493 A CB 1.061 20.243 19.000 0.303 0.000 1.303 493 A HN 0.748 nan 8.150 nan 0.000 0.413 494 S N -0.807 115.060 115.700 0.278 0.000 2.625 494 S HA 0.900 5.374 4.470 0.008 0.000 0.271 494 S C -0.562 173.904 174.600 -0.223 0.000 1.161 494 S CA -0.030 58.280 58.200 0.183 0.000 0.820 494 S CB 1.624 64.891 63.200 0.112 0.000 1.137 494 S HN 1.668 nan 8.310 nan 0.000 0.470 495 T N 0.315 114.694 114.554 -0.292 0.000 2.731 495 T HA 0.844 5.199 4.350 0.008 0.000 0.300 495 T C -1.454 173.217 174.700 -0.049 0.000 1.283 495 T CA 0.082 61.997 62.100 -0.308 0.000 1.005 495 T CB 1.472 69.942 68.868 -0.663 0.000 1.420 495 T HN 1.480 nan 8.240 nan 0.000 0.503 496 T N 0.266 114.826 114.554 0.011 0.000 2.896 496 T HA 0.858 5.213 4.350 0.008 0.000 0.297 496 T C -1.059 173.774 174.700 0.221 0.000 1.108 496 T CA -0.819 61.334 62.100 0.089 0.000 1.004 496 T CB 1.459 70.333 68.868 0.010 0.000 1.159 496 T HN 0.762 nan 8.240 nan 0.000 0.499 497 F N -1.561 118.397 119.950 0.013 0.000 2.662 497 F HA 0.805 5.338 4.527 0.011 0.000 0.312 497 F C -0.998 174.837 175.800 0.059 0.000 1.113 497 F CA -1.174 56.844 58.000 0.030 0.000 0.951 497 F CB 1.335 40.359 39.000 0.040 0.000 1.344 497 F HN 0.575 nan 8.300 nan 0.000 0.462 498 T N 1.989 116.633 114.554 0.150 0.000 2.771 498 T HA 0.549 4.903 4.350 0.008 0.000 0.281 498 T C -0.765 174.033 174.700 0.163 0.000 0.982 498 T CA -0.590 61.549 62.100 0.064 0.000 0.978 498 T CB 1.544 70.457 68.868 0.076 0.000 0.930 498 T HN 0.544 nan 8.240 nan 0.000 0.447 499 V N 4.325 124.329 119.914 0.150 0.000 2.364 499 V HA 0.318 4.443 4.120 0.008 0.000 0.272 499 V C 0.551 176.812 176.094 0.279 0.000 1.036 499 V CA -0.567 61.883 62.300 0.251 0.000 0.880 499 V CB 1.074 33.101 31.823 0.340 0.000 0.991 499 V HN 0.941 nan 8.190 nan 0.000 0.460 500 T N 5.118 119.789 114.554 0.194 0.000 2.767 500 T HA 0.523 4.878 4.350 0.008 0.000 0.288 500 T C -0.200 174.586 174.700 0.143 0.000 0.963 500 T CA -0.255 61.952 62.100 0.179 0.000 1.019 500 T CB 1.379 70.310 68.868 0.105 0.000 0.923 500 T HN 0.357 nan 8.240 nan 0.000 0.468 501 V N 2.842 122.873 119.914 0.194 0.000 2.409 501 V HA 0.625 4.750 4.120 0.008 0.000 0.291 501 V C 1.095 177.243 176.094 0.089 0.000 1.020 501 V CA -0.312 62.046 62.300 0.096 0.000 0.848 501 V CB 1.095 32.968 31.823 0.083 0.000 0.990 501 V HN 1.165 nan 8.190 nan 0.000 0.430 502 G N 4.670 113.487 108.800 0.028 0.000 2.168 502 G HA2 -0.231 3.734 3.960 0.008 0.000 0.257 502 G HA3 -0.231 3.734 3.960 0.008 0.000 0.257 502 G C -0.180 174.729 174.900 0.016 0.000 0.997 502 G CA 0.512 45.621 45.100 0.016 0.000 0.708 502 G HN 0.570 nan 8.290 nan 0.000 0.520 503 L N 0.072 121.306 121.223 0.020 0.000 2.341 503 L HA 0.568 4.913 4.340 0.008 0.000 0.278 503 L C 1.120 177.974 176.870 -0.027 0.000 1.005 503 L CA -1.239 53.602 54.840 0.003 0.000 0.818 503 L CB 1.554 43.624 42.059 0.019 0.000 1.259 503 L HN -0.013 nan 8.230 nan 0.000 0.418 504 L N 1.310 122.493 121.223 -0.066 0.000 2.479 504 L HA 0.063 4.408 4.340 0.008 0.000 0.270 504 L C 0.390 177.206 176.870 -0.090 0.000 1.236 504 L CA -0.100 54.656 54.840 -0.140 0.000 0.823 504 L CB 0.211 42.122 42.059 -0.247 0.000 1.098 504 L HN 0.573 nan 8.230 nan 0.000 0.500 505 D N 0.936 121.276 120.400 -0.100 0.000 2.338 505 D HA 0.023 4.667 4.640 0.008 0.000 0.255 505 D C 0.870 177.145 176.300 -0.041 0.000 1.237 505 D CA 0.221 54.193 54.000 -0.048 0.000 0.883 505 D CB 1.071 41.854 40.800 -0.029 0.000 1.087 505 D HN 0.413 nan 8.370 nan 0.000 0.485 506 Q N 2.602 122.389 119.800 -0.022 0.000 2.234 506 Q HA -0.167 4.178 4.340 0.008 0.000 0.206 506 Q C 1.727 177.723 176.000 -0.007 0.000 0.980 506 Q CA 1.286 57.082 55.803 -0.012 0.000 0.869 506 Q CB 0.062 28.798 28.738 -0.003 0.000 0.912 506 Q HN 0.626 nan 8.270 nan 0.000 0.436 507 A N 1.095 123.912 122.820 -0.004 0.000 2.067 507 A HA -0.147 4.178 4.320 0.008 0.000 0.219 507 A C 1.703 179.288 177.584 0.002 0.000 1.158 507 A CA 0.941 52.978 52.037 0.001 0.000 0.661 507 A CB -0.142 18.861 19.000 0.004 0.000 0.801 507 A HN 0.222 nan 8.150 nan 0.000 0.452 508 R N -1.291 119.208 120.500 -0.001 0.000 2.317 508 R HA 0.309 4.654 4.340 0.008 0.000 0.208 508 R C -0.065 176.236 176.300 0.002 0.000 0.914 508 R CA -0.084 56.019 56.100 0.006 0.000 1.060 508 R CB 0.035 30.346 30.300 0.019 0.000 1.015 508 R HN 0.469 nan 8.270 nan 0.000 0.498 509 M N 0.465 120.064 119.600 -0.002 0.000 2.444 509 M HA 0.257 4.742 4.480 0.008 0.000 0.319 509 M C 0.018 176.326 176.300 0.013 0.000 1.183 509 M CA -0.333 54.969 55.300 0.003 0.000 1.032 509 M CB 2.011 34.612 32.600 0.002 0.000 1.569 509 M HN -0.048 nan 8.290 nan 0.000 0.468 510 S N 0.718 116.433 115.700 0.025 0.000 2.596 510 S HA 0.609 5.084 4.470 0.008 0.000 0.270 510 S C -0.875 173.747 174.600 0.037 0.000 1.155 510 S CA -1.099 57.118 58.200 0.028 0.000 0.827 510 S CB 1.140 64.362 63.200 0.035 0.000 1.130 510 S HN 0.511 nan 8.310 nan 0.000 0.467 511 I N 2.298 122.877 120.570 0.016 0.000 2.406 511 I HA 0.279 4.454 4.170 0.008 0.000 0.293 511 I C 1.507 177.650 176.117 0.042 0.000 1.101 511 I CA -0.217 61.083 61.300 0.000 0.000 1.334 511 I CB -0.008 37.959 38.000 -0.055 0.000 1.421 511 I HN 0.982 nan 8.210 nan 0.000 0.513 512 A N 6.243 129.120 122.820 0.096 0.000 1.872 512 A HA -0.049 4.276 4.320 0.008 0.000 0.214 512 A C 0.468 178.096 177.584 0.073 0.000 1.187 512 A CA 1.284 53.404 52.037 0.138 0.000 0.614 512 A CB -0.177 18.982 19.000 0.264 0.000 0.826 512 A HN 0.800 nan 8.150 nan 0.000 0.442 513 D N -4.226 116.195 120.400 0.035 0.000 2.623 513 D HA 0.523 5.168 4.640 0.008 0.000 0.241 513 D C -1.057 175.195 176.300 -0.080 0.000 1.241 513 D CA -0.415 53.580 54.000 -0.009 0.000 0.788 513 D CB 1.678 42.484 40.800 0.010 0.000 1.413 513 D HN 0.418 nan 8.370 nan 0.000 0.429 514 V N 0.719 120.589 119.914 -0.074 0.000 2.969 514 V HA 0.333 4.458 4.120 0.008 0.000 0.304 514 V C -0.355 175.752 176.094 0.022 0.000 1.192 514 V CA -0.453 61.780 62.300 -0.113 0.000 0.962 514 V CB 2.107 33.790 31.823 -0.234 0.000 1.045 514 V HN 0.846 nan 8.190 nan 0.000 0.428 515 D N 2.953 123.420 120.400 0.111 0.000 2.224 515 D HA 0.034 4.678 4.640 0.008 0.000 0.205 515 D C 0.591 177.001 176.300 0.183 0.000 0.965 515 D CA 1.212 55.303 54.000 0.151 0.000 0.852 515 D CB 0.747 41.663 40.800 0.194 0.000 0.947 515 D HN 0.551 nan 8.370 nan 0.000 0.494 516 S N -0.710 115.146 115.700 0.259 0.000 2.556 516 S HA 0.351 4.826 4.470 0.008 0.000 0.280 516 S C -2.094 172.715 174.600 0.348 0.000 1.141 516 S CA -0.820 57.521 58.200 0.234 0.000 0.883 516 S CB 1.446 64.769 63.200 0.204 0.000 1.103 516 S HN 0.381 nan 8.310 nan 0.000 0.453 517 E N 1.773 122.115 120.200 0.237 0.000 2.366 517 E HA 0.580 4.935 4.350 0.008 0.000 0.278 517 E C -1.336 175.321 176.600 0.096 0.000 0.923 517 E CA -0.950 55.612 56.400 0.271 0.000 0.761 517 E CB 1.559 31.442 29.700 0.304 0.000 1.231 517 E HN 0.349 nan 8.360 nan 0.000 0.443 518 E N 1.284 121.518 120.200 0.056 0.000 2.167 518 E HA 0.224 4.579 4.350 0.008 0.000 0.284 518 E C -0.126 176.430 176.600 -0.073 0.000 1.016 518 E CA -0.074 56.258 56.400 -0.112 0.000 0.817 518 E CB 1.237 30.798 29.700 -0.232 0.000 1.080 518 E HN 0.673 nan 8.360 nan 0.000 0.397 519 T N 0.687 115.171 114.554 -0.117 0.000 3.041 519 T HA 0.371 4.726 4.350 0.008 0.000 0.276 519 T C 1.286 175.911 174.700 -0.126 0.000 0.948 519 T CA 0.252 62.299 62.100 -0.088 0.000 0.885 519 T CB 0.401 69.241 68.868 -0.047 0.000 1.175 519 T HN 0.274 nan 8.240 nan 0.000 0.529 520 A N 2.371 125.072 122.820 -0.199 0.000 1.874 520 A HA 0.225 4.550 4.320 0.008 0.000 0.214 520 A C 2.411 179.878 177.584 -0.195 0.000 1.189 520 A CA 0.454 52.376 52.037 -0.192 0.000 0.615 520 A CB -0.143 18.720 19.000 -0.227 0.000 0.830 520 A HN 0.264 nan 8.150 nan 0.000 0.443 521 R N -0.260 120.063 120.500 -0.296 0.000 2.308 521 R HA 0.168 4.513 4.340 0.008 0.000 0.202 521 R C -0.049 176.241 176.300 -0.018 0.000 0.898 521 R CA 0.865 56.853 56.100 -0.187 0.000 1.046 521 R CB 0.183 30.261 30.300 -0.370 0.000 1.026 521 R HN 0.883 nan 8.270 nan 0.000 0.512 522 E N -0.470 119.705 120.200 -0.041 0.000 2.429 522 E HA 0.077 4.432 4.350 0.008 0.000 0.280 522 E C -1.698 174.886 176.600 -0.026 0.000 1.068 522 E CA -0.750 55.667 56.400 0.028 0.000 0.837 522 E CB 0.859 30.657 29.700 0.164 0.000 1.357 522 E HN -0.262 nan 8.360 nan 0.000 0.455 523 D N 1.048 121.413 120.400 -0.059 0.000 2.508 523 D HA 0.253 4.898 4.640 0.008 0.000 0.224 523 D C 0.115 176.341 176.300 -0.123 0.000 1.171 523 D CA 0.054 53.998 54.000 -0.092 0.000 1.006 523 D CB 0.242 40.971 40.800 -0.118 0.000 1.073 523 D HN 0.592 nan 8.370 nan 0.000 0.513 524 G N 2.921 111.720 108.800 -0.003 0.000 3.609 524 G HA2 0.034 3.999 3.960 0.008 0.000 0.280 524 G HA3 0.034 3.999 3.960 0.008 0.000 0.280 524 G C 0.609 175.635 174.900 0.209 0.000 1.155 524 G CA -0.542 44.631 45.100 0.122 0.000 0.876 524 G HN 0.283 nan 8.290 nan 0.000 0.535 525 R N 0.220 120.789 120.500 0.114 0.000 2.537 525 R HA 0.131 4.475 4.340 0.008 0.000 0.281 525 R C 1.741 178.165 176.300 0.207 0.000 0.988 525 R CA 0.313 56.490 56.100 0.129 0.000 1.077 525 R CB 0.739 31.066 30.300 0.045 0.000 0.932 525 R HN 0.225 nan 8.270 nan 0.000 0.409 526 A N 2.560 125.474 122.820 0.156 0.000 1.948 526 A HA -0.249 4.076 4.320 0.008 0.000 0.220 526 A C 2.096 179.653 177.584 -0.044 0.000 1.177 526 A CA 2.180 54.158 52.037 -0.097 0.000 0.636 526 A CB -0.592 18.206 19.000 -0.338 0.000 0.815 526 A HN 0.867 nan 8.150 nan 0.000 0.449 527 S N 0.320 116.015 115.700 -0.009 0.000 2.469 527 S HA -0.170 4.304 4.470 0.008 0.000 0.238 527 S C 1.431 176.043 174.600 0.020 0.000 0.998 527 S CA 1.203 59.401 58.200 -0.004 0.000 0.957 527 S CB -0.682 62.517 63.200 -0.003 0.000 0.764 527 S HN 0.578 nan 8.310 nan 0.000 0.514 528 N N 2.080 120.810 118.700 0.050 0.000 2.443 528 N HA -0.063 4.682 4.740 0.008 0.000 0.184 528 N C 1.793 177.345 175.510 0.071 0.000 1.037 528 N CA 1.310 54.389 53.050 0.049 0.000 0.896 528 N CB -0.662 37.848 38.487 0.038 0.000 0.959 528 N HN 0.688 nan 8.380 nan 0.000 0.442 529 V N -0.453 119.514 119.914 0.089 0.000 2.970 529 V HA -0.012 4.112 4.120 0.008 0.000 0.260 529 V C 1.380 177.500 176.094 0.043 0.000 1.100 529 V CA 1.106 63.457 62.300 0.085 0.000 1.122 529 V CB -0.784 31.098 31.823 0.097 0.000 0.721 529 V HN 0.339 nan 8.190 nan 0.000 0.483 530 I N -1.084 119.502 120.570 0.026 0.000 3.707 530 I HA 0.429 4.604 4.170 0.008 0.000 0.330 530 I C 0.891 177.014 176.117 0.010 0.000 1.572 530 I CA 0.154 61.462 61.300 0.014 0.000 1.104 530 I CB 0.214 38.219 38.000 0.009 0.000 1.240 530 I HN 0.223 nan 8.210 nan 0.000 0.475 531 D N 1.073 121.480 120.400 0.012 0.000 2.340 531 D HA 0.111 4.756 4.640 0.008 0.000 0.217 531 D C 1.564 177.868 176.300 0.006 0.000 1.081 531 D CA 0.346 54.350 54.000 0.006 0.000 0.842 531 D CB 0.223 41.024 40.800 0.003 0.000 0.934 531 D HN 0.447 nan 8.370 nan 0.000 0.511 532 G N 0.686 109.490 108.800 0.006 0.000 2.180 532 G HA2 -0.338 3.626 3.960 0.008 0.000 0.263 532 G HA3 -0.338 3.626 3.960 0.008 0.000 0.263 532 G C 0.055 174.958 174.900 0.005 0.000 0.989 532 G CA 0.307 45.410 45.100 0.004 0.000 0.692 532 G HN 0.594 nan 8.290 nan 0.000 0.526 533 N N 0.211 118.916 118.700 0.008 0.000 2.446 533 N HA 0.473 5.217 4.740 0.008 0.000 0.265 533 N C -1.098 174.419 175.510 0.012 0.000 0.975 533 N CA -2.251 50.806 53.050 0.012 0.000 0.928 533 N CB 2.068 40.562 38.487 0.012 0.000 1.160 533 N HN -0.003 nan 8.380 nan 0.000 0.495 534 P HA 0.053 nan 4.420 nan 0.000 0.237 534 P C 0.452 177.773 177.300 0.035 0.000 1.178 534 P CA 0.564 63.663 63.100 -0.002 0.000 0.766 534 P CB 0.468 32.149 31.700 -0.032 0.000 0.876 535 S N -0.883 114.842 115.700 0.041 0.000 2.558 535 S HA 0.045 4.520 4.470 0.008 0.000 0.217 535 S C 1.028 175.675 174.600 0.078 0.000 0.975 535 S CA 0.445 58.685 58.200 0.066 0.000 0.912 535 S CB -0.391 62.829 63.200 0.034 0.000 0.776 535 S HN 0.392 nan 8.310 nan 0.000 0.526 536 T N 0.659 115.238 114.554 0.041 0.000 2.912 536 T HA 0.759 5.114 4.350 0.008 0.000 0.288 536 T C -0.710 174.011 174.700 0.034 0.000 1.030 536 T CA -0.926 61.118 62.100 -0.092 0.000 1.020 536 T CB 1.520 70.331 68.868 -0.096 0.000 1.056 536 T HN 0.141 nan 8.240 nan 0.000 0.480 537 F N -1.172 118.819 119.950 0.069 0.000 2.613 537 F HA 0.725 5.257 4.527 0.008 0.000 0.310 537 F C -1.093 174.822 175.800 0.193 0.000 1.085 537 F CA -2.213 55.850 58.000 0.105 0.000 0.945 537 F CB 0.778 39.813 39.000 0.058 0.000 1.298 537 F HN 0.837 nan 8.300 nan 0.000 0.455 538 W N 4.629 126.077 121.300 0.246 0.000 2.253 538 W HA 0.380 5.044 4.660 0.006 0.000 0.322 538 W C -1.122 175.611 176.519 0.357 0.000 1.342 538 W CA 0.012 57.484 57.345 0.211 0.000 1.218 538 W CB 0.113 29.647 29.460 0.123 0.000 1.205 538 W HN 0.726 nan 8.180 nan 0.000 0.551 539 H N 4.488 123.555 119.070 -0.005 0.000 2.538 539 H HA 0.278 4.840 4.556 0.009 0.000 0.353 539 H C -0.045 175.016 175.328 -0.445 0.000 1.109 539 H CA -0.131 55.767 56.048 -0.250 0.000 1.192 539 H CB 1.643 31.511 29.762 0.177 0.000 1.555 539 H HN 0.480 nan 8.280 nan 0.000 0.518 540 T N 0.864 115.145 114.554 -0.456 0.000 2.860 540 T HA 0.048 4.403 4.350 0.008 0.000 0.299 540 T C 0.503 175.256 174.700 0.089 0.000 1.045 540 T CA -0.825 61.146 62.100 -0.215 0.000 1.071 540 T CB 0.944 69.485 68.868 -0.545 0.000 0.985 540 T HN 0.647 nan 8.240 nan 0.000 0.537 541 E N 1.732 121.968 120.200 0.060 0.000 2.465 541 E HA -0.012 4.342 4.350 0.008 0.000 0.260 541 E C 0.408 176.997 176.600 -0.018 0.000 0.980 541 E CA -0.376 56.006 56.400 -0.030 0.000 0.927 541 E CB 0.157 29.851 29.700 -0.010 0.000 0.934 541 E HN 0.891 nan 8.360 nan 0.000 0.459 542 W N 3.378 124.510 121.300 -0.279 0.000 2.835 542 W HA 0.099 4.765 4.660 0.009 0.000 0.278 542 W C 1.003 177.426 176.519 -0.160 0.000 1.075 542 W CA 0.345 57.427 57.345 -0.440 0.000 1.439 542 W CB -0.472 28.398 29.460 -0.983 0.000 0.927 542 W HN 0.516 nan 8.180 nan 0.000 0.604 543 S N 1.126 116.405 115.700 -0.702 0.000 2.603 543 S HA 0.244 4.719 4.470 0.008 0.000 0.220 543 S C 0.558 175.027 174.600 -0.220 0.000 0.967 543 S CA -0.115 57.696 58.200 -0.648 0.000 0.920 543 S CB -0.263 62.280 63.200 -1.095 0.000 0.773 543 S HN 0.154 nan 8.310 nan 0.000 0.529 544 R N -0.298 120.139 120.500 -0.104 0.000 2.670 544 R HA 0.670 5.015 4.340 0.008 0.000 0.289 544 R C 0.851 177.196 176.300 0.075 0.000 0.965 544 R CA -0.010 56.083 56.100 -0.012 0.000 0.899 544 R CB 1.395 31.682 30.300 -0.022 0.000 1.173 544 R HN 0.178 nan 8.270 nan 0.000 0.456 545 A N 1.583 124.451 122.820 0.080 0.000 2.015 545 A HA -0.162 4.163 4.320 0.008 0.000 0.219 545 A C 1.113 178.758 177.584 0.100 0.000 1.163 545 A CA 1.664 53.765 52.037 0.107 0.000 0.646 545 A CB -0.273 18.777 19.000 0.082 0.000 0.806 545 A HN 0.826 nan 8.150 nan 0.000 0.448 546 D N 0.003 120.448 120.400 0.075 0.000 2.328 546 D HA 0.349 4.994 4.640 0.008 0.000 0.226 546 D C 0.629 176.980 176.300 0.085 0.000 1.066 546 D CA 0.417 54.458 54.000 0.068 0.000 0.861 546 D CB -0.638 40.189 40.800 0.045 0.000 0.912 546 D HN 0.357 nan 8.370 nan 0.000 0.521 547 A N 1.717 124.607 122.820 0.117 0.000 2.425 547 A HA 0.413 4.737 4.320 0.008 0.000 0.242 547 A C -2.004 175.682 177.584 0.169 0.000 1.077 547 A CA -0.953 51.171 52.037 0.144 0.000 0.781 547 A CB -0.141 18.969 19.000 0.183 0.000 1.020 547 A HN 0.139 nan 8.150 nan 0.000 0.494 548 P HA 0.293 nan 4.420 nan 0.000 0.272 548 P C 0.354 177.780 177.300 0.210 0.000 1.223 548 P CA 0.228 63.422 63.100 0.157 0.000 0.784 548 P CB 0.939 32.726 31.700 0.146 0.000 0.923 549 G N 0.579 109.419 108.800 0.067 0.000 2.702 549 G HA2 0.401 4.366 3.960 0.008 0.000 0.254 549 G HA3 0.401 4.366 3.960 0.008 0.000 0.254 549 G C -0.976 173.694 174.900 -0.383 0.000 1.380 549 G CA -0.700 44.400 45.100 0.000 0.000 1.042 549 G HN 0.358 nan 8.290 nan 0.000 0.557 550 Y N 1.312 121.388 120.300 -0.374 0.000 2.379 550 Y HA 0.299 4.854 4.550 0.008 0.000 0.337 550 Y C -1.017 174.727 175.900 -0.261 0.000 1.238 550 Y CA -0.844 56.973 58.100 -0.472 0.000 1.405 550 Y CB 0.486 38.827 38.460 -0.199 0.000 1.310 550 Y HN 0.259 nan 8.280 nan 0.000 0.569 551 P HA 0.188 nan 4.420 nan 0.000 0.277 551 P C -1.019 176.098 177.300 -0.304 0.000 1.240 551 P CA -0.114 62.959 63.100 -0.045 0.000 0.798 551 P CB 1.140 32.862 31.700 0.037 0.000 0.979 552 H N 0.860 119.925 119.070 -0.009 0.000 2.693 552 H HA 0.623 5.183 4.556 0.007 0.000 0.348 552 H C 0.119 175.534 175.328 0.145 0.000 1.222 552 H CA -0.451 55.611 56.048 0.022 0.000 1.270 552 H CB 2.245 31.948 29.762 -0.098 0.000 1.798 552 H HN 0.438 nan 8.280 nan 0.000 0.592 553 R N 0.998 121.705 120.500 0.346 0.000 2.561 553 R HA 0.418 4.762 4.340 0.008 0.000 0.266 553 R C -2.005 174.285 176.300 -0.016 0.000 1.091 553 R CA -0.513 55.668 56.100 0.135 0.000 0.927 553 R CB 1.963 32.263 30.300 0.001 0.000 1.240 553 R HN 0.677 nan 8.270 nan 0.000 0.449 554 I N 2.617 123.094 120.570 -0.155 0.000 2.534 554 I HA 0.438 4.613 4.170 0.008 0.000 0.288 554 I C -1.439 174.568 176.117 -0.184 0.000 1.077 554 I CA -0.319 60.757 61.300 -0.374 0.000 1.051 554 I CB 2.353 39.844 38.000 -0.848 0.000 1.234 554 I HN 0.635 nan 8.210 nan 0.000 0.425 555 S N 7.471 123.093 115.700 -0.130 0.000 2.521 555 S HA 0.682 5.157 4.470 0.008 0.000 0.295 555 S C -0.817 173.839 174.600 0.092 0.000 1.098 555 S CA -0.651 57.556 58.200 0.011 0.000 0.999 555 S CB 1.843 65.065 63.200 0.037 0.000 1.034 555 S HN 0.448 nan 8.310 nan 0.000 0.483 556 L N 2.125 123.458 121.223 0.182 0.000 2.329 556 L HA 0.533 4.877 4.340 0.008 0.000 0.279 556 L C -0.530 176.498 176.870 0.264 0.000 1.014 556 L CA -0.886 54.052 54.840 0.164 0.000 0.814 556 L CB 1.338 43.460 42.059 0.105 0.000 1.257 556 L HN 0.519 nan 8.230 nan 0.000 0.424 557 D N 2.744 123.268 120.400 0.207 0.000 2.313 557 D HA 0.228 4.872 4.640 0.008 0.000 0.239 557 D C 0.634 176.917 176.300 -0.027 0.000 1.142 557 D CA -0.152 53.900 54.000 0.086 0.000 0.847 557 D CB 1.519 42.415 40.800 0.160 0.000 1.082 557 D HN 0.419 nan 8.370 nan 0.000 0.480 558 L N 3.035 124.193 121.223 -0.107 0.000 2.552 558 L HA 0.181 4.525 4.340 0.008 0.000 0.227 558 L C 1.813 178.676 176.870 -0.011 0.000 1.146 558 L CA 0.506 55.322 54.840 -0.040 0.000 0.858 558 L CB -0.214 41.846 42.059 0.001 0.000 0.969 558 L HN 0.755 nan 8.230 nan 0.000 0.451 559 G N -0.381 108.386 108.800 -0.055 0.000 2.175 559 G HA2 -0.124 3.841 3.960 0.008 0.000 0.244 559 G HA3 -0.124 3.841 3.960 0.008 0.000 0.244 559 G C 0.396 175.290 174.900 -0.009 0.000 0.982 559 G CA -0.244 44.847 45.100 -0.015 0.000 0.641 559 G HN 0.746 nan 8.290 nan 0.000 0.527 560 G N -2.137 106.650 108.800 -0.022 0.000 2.338 560 G HA2 0.596 4.561 3.960 0.008 0.000 0.295 560 G HA3 0.596 4.561 3.960 0.008 0.000 0.295 560 G C -0.763 174.079 174.900 -0.098 0.000 1.461 560 G CA 0.450 45.508 45.100 -0.070 0.000 0.817 560 G HN 0.864 nan 8.290 nan 0.000 0.556 561 T N 1.071 115.502 114.554 -0.205 0.000 2.817 561 T HA 0.628 4.983 4.350 0.008 0.000 0.293 561 T C -0.549 173.944 174.700 -0.345 0.000 0.964 561 T CA 0.307 62.309 62.100 -0.164 0.000 1.085 561 T CB 0.615 69.410 68.868 -0.121 0.000 0.921 561 T HN 0.517 nan 8.240 nan 0.000 0.502 562 H N 0.059 119.123 119.070 -0.010 0.000 2.895 562 H HA 0.393 4.954 4.556 0.009 0.000 0.373 562 H C -0.201 175.145 175.328 0.030 0.000 1.174 562 H CA -0.665 55.388 56.048 0.007 0.000 1.144 562 H CB 1.260 31.027 29.762 0.009 0.000 1.793 562 H HN 0.445 nan 8.280 nan 0.000 0.551 563 T N 3.824 118.464 114.554 0.144 0.000 2.799 563 T HA 0.359 4.713 4.350 0.008 0.000 0.296 563 T C 0.324 175.097 174.700 0.120 0.000 0.947 563 T CA -0.173 61.994 62.100 0.113 0.000 1.141 563 T CB -0.675 68.235 68.868 0.070 0.000 0.891 563 T HN 0.437 nan 8.240 nan 0.000 0.533 564 I N 0.089 120.741 120.570 0.137 0.000 2.785 564 I HA 0.748 4.922 4.170 0.008 0.000 0.302 564 I C 0.321 176.441 176.117 0.005 0.000 1.069 564 I CA -0.949 60.413 61.300 0.103 0.000 1.045 564 I CB 2.572 40.692 38.000 0.199 0.000 1.236 564 I HN 0.502 nan 8.210 nan 0.000 0.429 565 S N 1.510 117.022 115.700 -0.315 0.000 2.993 565 S HA 0.676 5.150 4.470 0.008 0.000 0.257 565 S C 0.120 174.019 174.600 -1.168 0.000 0.997 565 S CA -0.004 57.729 58.200 -0.778 0.000 1.191 565 S CB 0.268 63.271 63.200 -0.328 0.000 1.143 565 S HN 1.422 nan 8.310 nan 0.000 0.655 566 G N 0.795 109.060 108.800 -0.892 0.000 2.519 566 G HA2 0.540 4.505 3.960 0.008 0.000 0.292 566 G HA3 0.540 4.505 3.960 0.008 0.000 0.292 566 G C -2.509 172.405 174.900 0.024 0.000 1.507 566 G CA -0.708 44.148 45.100 -0.407 0.000 0.806 566 G HN 0.413 nan 8.290 nan 0.000 0.523 567 L N 0.235 121.563 121.223 0.175 0.000 2.381 567 L HA 0.624 4.969 4.340 0.008 0.000 0.274 567 L C -0.281 176.673 176.870 0.139 0.000 0.988 567 L CA -0.540 54.414 54.840 0.190 0.000 0.824 567 L CB 1.980 44.196 42.059 0.262 0.000 1.263 567 L HN 0.600 nan 8.230 nan 0.000 0.410 568 Q N 4.273 124.129 119.800 0.092 0.000 2.290 568 Q HA 0.303 4.647 4.340 0.008 0.000 0.259 568 Q C -1.648 174.377 176.000 0.041 0.000 0.941 568 Q CA -0.552 55.286 55.803 0.058 0.000 0.912 568 Q CB 2.200 30.949 28.738 0.019 0.000 1.244 568 Q HN 0.614 nan 8.270 nan 0.000 0.441 569 Y N 1.360 121.542 120.300 -0.197 0.000 2.341 569 Y HA 0.412 4.963 4.550 0.003 0.000 0.337 569 Y C -0.979 174.739 175.900 -0.303 0.000 1.014 569 Y CA -0.348 57.548 58.100 -0.339 0.000 1.111 569 Y CB 1.674 39.610 38.460 -0.874 0.000 1.194 569 Y HN 0.435 nan 8.280 nan 0.000 0.462 570 T N 7.145 121.243 114.554 -0.759 0.000 2.809 570 T HA 0.386 4.741 4.350 0.008 0.000 0.284 570 T C -0.630 173.476 174.700 -0.989 0.000 0.992 570 T CA -0.960 60.698 62.100 -0.736 0.000 0.957 570 T CB 0.628 69.298 68.868 -0.329 0.000 0.942 570 T HN 0.790 nan 8.240 nan 0.000 0.439 571 R N 2.235 122.148 120.500 -0.978 0.000 2.738 571 R HA 0.323 4.668 4.340 0.008 0.000 0.268 571 R C 0.314 176.446 176.300 -0.280 0.000 1.062 571 R CA -0.815 54.947 56.100 -0.564 0.000 1.158 571 R CB 0.831 30.975 30.300 -0.261 0.000 1.046 571 R HN 0.520 nan 8.270 nan 0.000 0.493 572 R N 1.165 121.542 120.500 -0.205 0.000 2.504 572 R HA -0.124 4.221 4.340 0.008 0.000 0.291 572 R C 0.422 176.620 176.300 -0.170 0.000 0.974 572 R CA 0.339 56.311 56.100 -0.213 0.000 1.077 572 R CB 0.614 30.648 30.300 -0.443 0.000 0.926 572 R HN 0.710 nan 8.270 nan 0.000 0.407 573 Q N 2.117 121.854 119.800 -0.105 0.000 2.302 573 Q HA -0.068 4.276 4.340 0.008 0.000 0.202 573 Q C 0.446 176.400 176.000 -0.077 0.000 0.936 573 Q CA 0.985 56.740 55.803 -0.080 0.000 0.886 573 Q CB 0.193 28.907 28.738 -0.041 0.000 0.986 573 Q HN 0.726 nan 8.270 nan 0.000 0.487 574 N N -0.637 118.012 118.700 -0.085 0.000 2.275 574 N HA 0.070 4.815 4.740 0.008 0.000 0.236 574 N C -0.670 174.775 175.510 -0.109 0.000 1.154 574 N CA -0.125 52.883 53.050 -0.070 0.000 0.866 574 N CB 0.863 39.338 38.487 -0.021 0.000 1.093 574 N HN -0.131 nan 8.380 nan 0.000 0.515 575 S N -1.349 114.259 115.700 -0.154 0.000 2.535 575 S HA 0.678 5.153 4.470 0.008 0.000 0.272 575 S C -0.751 173.751 174.600 -0.163 0.000 1.149 575 S CA -0.169 57.929 58.200 -0.169 0.000 0.888 575 S CB 1.129 64.195 63.200 -0.223 0.000 1.110 575 S HN 0.247 nan 8.310 nan 0.000 0.463 576 A N 3.063 125.797 122.820 -0.143 0.000 2.343 576 A HA 0.337 4.662 4.320 0.008 0.000 0.223 576 A C 0.912 178.408 177.584 -0.147 0.000 1.214 576 A CA 0.012 51.980 52.037 -0.113 0.000 0.900 576 A CB -0.156 18.798 19.000 -0.076 0.000 0.942 576 A HN 0.682 nan 8.150 nan 0.000 0.507 577 N N 0.646 119.199 118.700 -0.244 0.000 2.268 577 N HA 0.111 4.855 4.740 0.008 0.000 0.204 577 N C -0.518 174.810 175.510 -0.304 0.000 1.124 577 N CA 0.454 53.235 53.050 -0.447 0.000 0.838 577 N CB 0.545 38.621 38.487 -0.685 0.000 0.994 577 N HN 0.491 nan 8.380 nan 0.000 0.489 578 E N -0.343 119.757 120.200 -0.167 0.000 3.306 578 E HA 0.173 4.528 4.350 0.008 0.000 0.197 578 E C -0.635 175.947 176.600 -0.031 0.000 0.980 578 E CA -0.193 56.147 56.400 -0.100 0.000 1.259 578 E CB 0.385 29.900 29.700 -0.310 0.000 1.112 578 E HN 0.148 nan 8.360 nan 0.000 0.458 579 Q N 0.965 120.782 119.800 0.029 0.000 2.294 579 Q HA 0.290 4.635 4.340 0.008 0.000 0.257 579 Q C -0.110 175.996 176.000 0.176 0.000 0.955 579 Q CA -0.579 55.291 55.803 0.111 0.000 0.936 579 Q CB 1.741 30.533 28.738 0.090 0.000 1.188 579 Q HN 0.085 nan 8.270 nan 0.000 0.420 580 V N 2.467 122.526 119.914 0.243 0.000 2.694 580 V HA 0.007 4.132 4.120 0.008 0.000 0.306 580 V C 0.613 176.828 176.094 0.202 0.000 1.054 580 V CA 0.857 63.283 62.300 0.210 0.000 1.161 580 V CB 0.532 32.418 31.823 0.104 0.000 0.916 580 V HN 1.015 nan 8.190 nan 0.000 0.490 581 A N 4.153 127.062 122.820 0.148 0.000 2.336 581 A HA 0.323 4.648 4.320 0.008 0.000 0.212 581 A C 0.478 178.100 177.584 0.063 0.000 2.317 581 A CA -0.238 51.860 52.037 0.101 0.000 1.564 581 A CB -0.098 18.905 19.000 0.006 0.000 1.096 581 A HN 0.709 nan 8.150 nan 0.000 0.441 582 D N 0.536 120.923 120.400 -0.022 0.000 2.389 582 D HA 0.446 5.091 4.640 0.008 0.000 0.247 582 D C -1.002 175.283 176.300 -0.025 0.000 1.128 582 D CA 0.877 54.815 54.000 -0.103 0.000 0.884 582 D CB 0.631 41.360 40.800 -0.120 0.000 1.194 582 D HN 0.456 nan 8.370 nan 0.000 0.441 583 Y N -1.672 118.509 120.300 -0.198 0.000 2.588 583 Y HA 0.619 5.171 4.550 0.004 0.000 0.343 583 Y C -0.948 174.871 175.900 -0.134 0.000 1.065 583 Y CA -1.196 56.812 58.100 -0.154 0.000 1.038 583 Y CB 1.369 39.658 38.460 -0.286 0.000 1.297 583 Y HN 0.166 nan 8.280 nan 0.000 0.467 584 E N 2.397 122.659 120.200 0.103 0.000 2.317 584 E HA 0.615 4.970 4.350 0.008 0.000 0.270 584 E C -1.432 175.242 176.600 0.122 0.000 0.885 584 E CA -0.915 55.487 56.400 0.004 0.000 0.760 584 E CB 3.079 32.754 29.700 -0.042 0.000 1.227 584 E HN 0.637 nan 8.360 nan 0.000 0.434 585 I N 2.621 123.171 120.570 -0.033 0.000 2.404 585 I HA 0.380 4.555 4.170 0.008 0.000 0.293 585 I C -1.008 174.952 176.117 -0.261 0.000 0.992 585 I CA -0.661 60.629 61.300 -0.017 0.000 1.149 585 I CB 0.779 38.791 38.000 0.020 0.000 1.315 585 I HN 0.456 nan 8.210 nan 0.000 0.446 586 Y N 2.820 123.108 120.300 -0.019 0.000 2.562 586 Y HA 0.600 5.155 4.550 0.009 0.000 0.343 586 Y C 0.446 176.483 175.900 0.228 0.000 1.025 586 Y CA -0.677 57.461 58.100 0.065 0.000 1.082 586 Y CB 2.425 40.931 38.460 0.076 0.000 1.264 586 Y HN 0.534 nan 8.280 nan 0.000 0.478 587 T N -1.816 113.013 114.554 0.458 0.000 2.901 587 T HA 0.752 5.107 4.350 0.008 0.000 0.293 587 T C -0.943 173.927 174.700 0.282 0.000 1.084 587 T CA -0.961 61.370 62.100 0.386 0.000 1.008 587 T CB 1.822 70.785 68.868 0.158 0.000 1.170 587 T HN 0.541 nan 8.240 nan 0.000 0.509 588 S N 0.451 116.191 115.700 0.068 0.000 2.614 588 S HA 0.448 4.923 4.470 0.008 0.000 0.275 588 S C 0.475 175.078 174.600 0.005 0.000 1.161 588 S CA -0.878 57.202 58.200 -0.199 0.000 0.969 588 S CB 1.130 63.781 63.200 -0.915 0.000 1.059 588 S HN 0.767 nan 8.310 nan 0.000 0.482 589 L N 3.446 124.659 121.223 -0.017 0.000 2.179 589 L HA 0.033 4.378 4.340 0.008 0.000 0.208 589 L C 1.648 178.555 176.870 0.062 0.000 1.096 589 L CA 1.198 56.054 54.840 0.026 0.000 0.779 589 L CB -0.178 41.883 42.059 0.003 0.000 0.922 589 L HN 0.838 nan 8.230 nan 0.000 0.443 590 N N -1.887 116.799 118.700 -0.024 0.000 2.159 590 N HA 0.100 4.844 4.740 0.008 0.000 0.217 590 N C 1.014 176.411 175.510 -0.188 0.000 1.223 590 N CA 0.726 53.763 53.050 -0.022 0.000 0.896 590 N CB 1.070 39.515 38.487 -0.070 0.000 1.064 590 N HN 0.113 nan 8.380 nan 0.000 0.518 591 G N -0.402 108.059 108.800 -0.566 0.000 2.232 591 G HA2 -0.334 3.631 3.960 0.008 0.000 0.226 591 G HA3 -0.334 3.631 3.960 0.008 0.000 0.226 591 G C 0.968 175.344 174.900 -0.873 0.000 0.996 591 G CA 0.908 45.255 45.100 -1.256 0.000 0.626 591 G HN 0.708 nan 8.290 nan 0.000 0.509 592 T N -3.012 111.193 114.554 -0.580 0.000 2.987 592 T HA 0.416 4.771 4.350 0.008 0.000 0.248 592 T C 1.090 175.580 174.700 -0.350 0.000 0.997 592 T CA 1.548 63.448 62.100 -0.333 0.000 1.013 592 T CB 0.712 69.484 68.868 -0.160 0.000 1.077 592 T HN 1.161 nan 8.240 nan 0.000 0.483 593 T N 1.221 115.530 114.554 -0.408 0.000 2.744 593 T HA 0.502 4.857 4.350 0.008 0.000 0.291 593 T C -1.562 172.919 174.700 -0.365 0.000 0.957 593 T CA -0.786 61.167 62.100 -0.244 0.000 1.002 593 T CB 0.062 68.864 68.868 -0.111 0.000 0.919 593 T HN 0.432 nan 8.240 nan 0.000 0.468 594 W N 3.649 124.936 121.300 -0.021 0.000 2.478 594 W HA 0.476 5.140 4.660 0.008 0.000 0.318 594 W C -0.163 176.415 176.519 0.099 0.000 1.062 594 W CA -0.841 56.517 57.345 0.022 0.000 1.210 594 W CB 1.160 30.572 29.460 -0.080 0.000 1.325 594 W HN 0.530 nan 8.180 nan 0.000 0.496 595 D N 1.920 122.530 120.400 0.350 0.000 2.168 595 D HA 0.651 5.296 4.640 0.008 0.000 0.246 595 D C 0.512 176.982 176.300 0.284 0.000 1.050 595 D CA 0.240 54.390 54.000 0.249 0.000 0.857 595 D CB 1.841 42.718 40.800 0.128 0.000 1.169 595 D HN 0.605 nan 8.370 nan 0.000 0.453 596 G N 1.863 110.765 108.800 0.171 0.000 2.350 596 G HA2 0.073 4.038 3.960 0.008 0.000 0.282 596 G HA3 0.073 4.038 3.960 0.008 0.000 0.282 596 G C -2.889 171.908 174.900 -0.172 0.000 1.314 596 G CA -0.991 44.033 45.100 -0.127 0.000 0.915 596 G HN 0.330 nan 8.290 nan 0.000 0.499 597 P HA 0.291 nan 4.420 nan 0.000 0.264 597 P C 1.251 178.319 177.300 -0.386 0.000 1.193 597 P CA 0.379 63.034 63.100 -0.742 0.000 0.763 597 P CB 1.128 32.526 31.700 -0.503 0.000 0.810 598 V N 0.227 119.900 119.914 -0.402 0.000 3.235 598 V HA 0.464 4.589 4.120 0.008 0.000 0.259 598 V C 0.592 176.567 176.094 -0.199 0.000 1.133 598 V CA 1.003 63.111 62.300 -0.319 0.000 1.128 598 V CB -0.823 30.660 31.823 -0.565 0.000 0.757 598 V HN 0.601 nan 8.190 nan 0.000 0.469 599 A N 0.106 122.819 122.820 -0.177 0.000 2.594 599 A HA 0.857 5.182 4.320 0.008 0.000 0.295 599 A C -0.435 177.097 177.584 -0.086 0.000 1.071 599 A CA 0.193 52.230 52.037 -0.002 0.000 0.685 599 A CB 1.642 20.782 19.000 0.233 0.000 1.285 599 A HN 1.149 nan 8.150 nan 0.000 0.405 600 S N -0.262 115.335 115.700 -0.171 0.000 2.596 600 S HA 0.996 5.471 4.470 0.008 0.000 0.270 600 S C -0.122 174.056 174.600 -0.702 0.000 1.155 600 S CA -0.058 57.846 58.200 -0.493 0.000 0.827 600 S CB 1.307 64.297 63.200 -0.350 0.000 1.130 600 S HN 2.710 nan 8.310 nan 0.000 0.467 601 G N 0.299 108.384 108.800 -1.191 0.000 2.336 601 G HA2 0.494 4.459 3.960 0.008 0.000 0.286 601 G HA3 0.494 4.459 3.960 0.008 0.000 0.286 601 G C -2.064 172.307 174.900 -0.881 0.000 1.269 601 G CA -0.947 43.635 45.100 -0.863 0.000 0.873 601 G HN 0.792 nan 8.290 nan 0.000 0.494 602 R N -0.033 120.248 120.500 -0.365 0.000 2.473 602 R HA 0.578 4.923 4.340 0.008 0.000 0.303 602 R C -0.815 175.522 176.300 0.062 0.000 1.002 602 R CA -0.645 55.370 56.100 -0.142 0.000 0.884 602 R CB 0.601 30.848 30.300 -0.089 0.000 1.173 602 R HN 0.275 nan 8.270 nan 0.000 0.464 603 F N 1.239 121.342 119.950 0.255 0.000 2.485 603 F HA 0.105 4.633 4.527 0.001 0.000 0.327 603 F C 1.686 177.553 175.800 0.112 0.000 1.203 603 F CA 0.250 58.335 58.000 0.142 0.000 1.295 603 F CB 0.609 39.588 39.000 -0.034 0.000 1.191 603 F HN 0.474 nan 8.300 nan 0.000 0.588 604 T N -3.229 111.539 114.554 0.356 0.000 2.892 604 T HA 0.346 4.701 4.350 0.008 0.000 0.280 604 T C 0.826 175.638 174.700 0.185 0.000 1.004 604 T CA 0.039 62.264 62.100 0.208 0.000 0.950 604 T CB 1.059 70.019 68.868 0.154 0.000 1.309 604 T HN 0.626 nan 8.240 nan 0.000 0.592 605 T N -1.798 112.823 114.554 0.112 0.000 3.144 605 T HA 0.233 4.588 4.350 0.008 0.000 0.249 605 T C 0.951 175.676 174.700 0.041 0.000 1.089 605 T CA -0.074 62.072 62.100 0.075 0.000 0.989 605 T CB -0.522 68.373 68.868 0.046 0.000 0.992 605 T HN 0.659 nan 8.240 nan 0.000 0.540 606 S N 0.819 116.549 115.700 0.050 0.000 2.552 606 S HA 0.162 4.637 4.470 0.008 0.000 0.289 606 S C 1.210 175.791 174.600 -0.033 0.000 1.304 606 S CA -0.565 57.643 58.200 0.013 0.000 1.063 606 S CB -0.015 63.202 63.200 0.027 0.000 0.848 606 S HN 0.498 nan 8.310 nan 0.000 0.499 607 L N 3.618 124.809 121.223 -0.052 0.000 2.376 607 L HA 0.113 4.458 4.340 0.008 0.000 0.219 607 L C 1.508 178.312 176.870 -0.110 0.000 1.133 607 L CA 0.512 55.300 54.840 -0.087 0.000 0.816 607 L CB -0.701 41.316 42.059 -0.071 0.000 0.933 607 L HN 0.733 nan 8.230 nan 0.000 0.449 608 A N -0.132 122.636 122.820 -0.086 0.000 2.287 608 A HA 0.469 4.794 4.320 0.008 0.000 0.273 608 A C -2.222 175.296 177.584 -0.111 0.000 1.091 608 A CA -1.342 50.641 52.037 -0.090 0.000 0.817 608 A CB -0.291 18.673 19.000 -0.060 0.000 1.069 608 A HN -0.092 nan 8.150 nan 0.000 0.492 609 P HA 0.082 nan 4.420 nan 0.000 0.264 609 P C -0.939 176.335 177.300 -0.044 0.000 1.183 609 P CA 0.626 63.664 63.100 -0.104 0.000 0.763 609 P CB 0.241 31.893 31.700 -0.079 0.000 0.807 610 Q N 2.871 122.654 119.800 -0.028 0.000 2.322 610 Q HA 0.406 4.750 4.340 0.008 0.000 0.265 610 Q C -0.203 175.880 176.000 0.138 0.000 0.985 610 Q CA -0.683 55.170 55.803 0.082 0.000 0.849 610 Q CB 2.206 31.026 28.738 0.137 0.000 1.274 610 Q HN 0.328 nan 8.270 nan 0.000 0.449 611 R N 0.988 121.583 120.500 0.158 0.000 2.349 611 R HA 0.593 4.938 4.340 0.008 0.000 0.299 611 R C -0.661 175.773 176.300 0.222 0.000 1.027 611 R CA -0.352 55.840 56.100 0.154 0.000 0.958 611 R CB 1.116 31.475 30.300 0.098 0.000 1.047 611 R HN 0.551 nan 8.270 nan 0.000 0.468 612 A N 3.230 126.185 122.820 0.225 0.000 2.293 612 A HA 0.404 4.729 4.320 0.008 0.000 0.312 612 A C -0.191 177.535 177.584 0.237 0.000 1.309 612 A CA -0.716 51.481 52.037 0.267 0.000 0.839 612 A CB 0.751 19.906 19.000 0.259 0.000 1.155 612 A HN 0.568 nan 8.150 nan 0.000 0.501 613 V N 1.188 121.204 119.914 0.170 0.000 2.713 613 V HA 1.019 5.144 4.120 0.008 0.000 0.307 613 V C -0.682 175.495 176.094 0.139 0.000 1.052 613 V CA -0.893 61.417 62.300 0.018 0.000 0.967 613 V CB 1.028 32.837 31.823 -0.024 0.000 1.019 613 V HN 1.139 nan 8.190 nan 0.000 0.459 614 F N 0.606 120.594 119.950 0.063 0.000 2.654 614 F HA 0.910 5.441 4.527 0.007 0.000 0.308 614 F C -3.102 172.725 175.800 0.045 0.000 1.108 614 F CA -2.789 55.241 58.000 0.050 0.000 0.957 614 F CB 0.575 39.605 39.000 0.050 0.000 1.309 614 F HN 0.346 nan 8.300 nan 0.000 0.446 615 P HA 0.207 nan 4.420 nan 0.000 0.264 615 P C -0.454 176.961 177.300 0.192 0.000 1.183 615 P CA 0.178 63.365 63.100 0.147 0.000 0.763 615 P CB 0.514 32.293 31.700 0.130 0.000 0.807 616 A N 4.520 127.394 122.820 0.090 0.000 2.540 616 A HA 0.310 4.634 4.320 0.008 0.000 0.239 616 A C 0.585 178.255 177.584 0.144 0.000 1.061 616 A CA 0.345 52.434 52.037 0.087 0.000 0.758 616 A CB -0.247 18.776 19.000 0.038 0.000 0.991 616 A HN 0.682 nan 8.150 nan 0.000 0.502 617 R N 1.497 122.110 120.500 0.189 0.000 2.680 617 R HA 0.516 4.860 4.340 0.008 0.000 0.269 617 R C -2.018 174.374 176.300 0.153 0.000 1.026 617 R CA -0.955 55.246 56.100 0.168 0.000 0.889 617 R CB 1.089 31.506 30.300 0.195 0.000 1.241 617 R HN 0.429 nan 8.270 nan 0.000 0.463 618 D N 0.865 121.328 120.400 0.105 0.000 2.264 618 D HA 0.606 5.251 4.640 0.008 0.000 0.250 618 D C -0.693 175.661 176.300 0.090 0.000 1.113 618 D CA 0.265 54.316 54.000 0.085 0.000 0.871 618 D CB 1.776 42.603 40.800 0.045 0.000 1.167 618 D HN 0.731 nan 8.370 nan 0.000 0.447 619 A N 2.275 125.153 122.820 0.097 0.000 2.577 619 A HA 0.420 4.744 4.320 0.008 0.000 0.297 619 A C 0.446 178.065 177.584 0.057 0.000 1.060 619 A CA -0.718 51.376 52.037 0.095 0.000 0.697 619 A CB 1.451 20.541 19.000 0.151 0.000 1.281 619 A HN 0.484 nan 8.150 nan 0.000 0.402 620 R N 0.012 120.499 120.500 -0.021 0.000 2.237 620 R HA 0.270 4.614 4.340 0.008 0.000 0.195 620 R C -0.793 175.251 176.300 -0.426 0.000 0.956 620 R CA 0.947 56.895 56.100 -0.253 0.000 1.029 620 R CB 0.135 30.151 30.300 -0.474 0.000 0.972 620 R HN 0.710 nan 8.270 nan 0.000 0.493 621 Y N -0.451 119.879 120.300 0.050 0.000 2.512 621 Y HA 0.484 5.038 4.550 0.007 0.000 0.348 621 Y C -0.641 175.414 175.900 0.259 0.000 0.990 621 Y CA -1.176 56.997 58.100 0.122 0.000 1.033 621 Y CB 1.984 40.459 38.460 0.026 0.000 1.259 621 Y HN -0.137 nan 8.280 nan 0.000 0.461 622 I N 2.787 123.646 120.570 0.482 0.000 2.569 622 I HA 0.553 4.728 4.170 0.008 0.000 0.290 622 I C -1.319 175.010 176.117 0.353 0.000 1.088 622 I CA -0.860 60.695 61.300 0.425 0.000 1.047 622 I CB 1.601 39.775 38.000 0.291 0.000 1.237 622 I HN 0.779 nan 8.210 nan 0.000 0.421 623 R N 7.013 127.660 120.500 0.244 0.000 2.534 623 R HA 0.536 4.881 4.340 0.008 0.000 0.301 623 R C -1.996 174.345 176.300 0.069 0.000 0.961 623 R CA -0.741 55.346 56.100 -0.021 0.000 0.871 623 R CB 1.759 31.730 30.300 -0.548 0.000 1.170 623 R HN 0.604 nan 8.270 nan 0.000 0.446 624 L N 5.802 127.067 121.223 0.069 0.000 2.255 624 L HA 0.343 4.688 4.340 0.008 0.000 0.289 624 L C -1.270 175.684 176.870 0.140 0.000 1.046 624 L CA -0.329 54.598 54.840 0.144 0.000 0.816 624 L CB 1.582 43.747 42.059 0.176 0.000 1.197 624 L HN 0.418 nan 8.230 nan 0.000 0.427 625 V N 5.648 125.671 119.914 0.182 0.000 2.385 625 V HA 0.543 4.668 4.120 0.008 0.000 0.269 625 V C 0.704 176.944 176.094 0.243 0.000 1.043 625 V CA -0.301 62.105 62.300 0.177 0.000 0.906 625 V CB 0.870 32.794 31.823 0.167 0.000 0.995 625 V HN 0.924 nan 8.190 nan 0.000 0.467 626 A N 5.719 128.714 122.820 0.292 0.000 2.478 626 A HA 0.565 4.890 4.320 0.008 0.000 0.327 626 A C 0.901 178.719 177.584 0.389 0.000 1.431 626 A CA -0.380 51.881 52.037 0.372 0.000 1.014 626 A CB 0.093 19.372 19.000 0.465 0.000 1.143 626 A HN 0.895 nan 8.150 nan 0.000 0.532 627 L N 1.897 123.272 121.223 0.254 0.000 2.093 627 L HA -0.017 4.328 4.340 0.008 0.000 0.208 627 L C 1.367 178.313 176.870 0.127 0.000 1.085 627 L CA 1.473 56.413 54.840 0.166 0.000 0.755 627 L CB -0.226 41.862 42.059 0.048 0.000 0.904 627 L HN 0.818 nan 8.230 nan 0.000 0.435 628 S N -2.450 113.237 115.700 -0.022 0.000 2.596 628 S HA 0.404 4.879 4.470 0.008 0.000 0.270 628 S C -0.972 173.242 174.600 -0.643 0.000 1.155 628 S CA -1.002 56.911 58.200 -0.479 0.000 0.827 628 S CB 2.574 65.621 63.200 -0.254 0.000 1.130 628 S HN 0.002 nan 8.310 nan 0.000 0.467 629 E N 0.180 119.840 120.200 -0.900 0.000 2.222 629 E HA 0.282 4.637 4.350 0.008 0.000 0.272 629 E C 0.581 177.091 176.600 -0.151 0.000 0.982 629 E CA -0.587 55.586 56.400 -0.378 0.000 0.842 629 E CB 1.377 30.913 29.700 -0.273 0.000 1.144 629 E HN 0.686 nan 8.360 nan 0.000 0.397 630 Q N 0.617 120.408 119.800 -0.016 0.000 2.156 630 Q HA -0.160 4.185 4.340 0.008 0.000 0.211 630 Q C 1.256 177.253 176.000 -0.007 0.000 0.995 630 Q CA 2.369 58.180 55.803 0.013 0.000 0.877 630 Q CB -0.284 28.486 28.738 0.053 0.000 0.920 630 Q HN 0.629 nan 8.270 nan 0.000 0.416 631 T N -4.916 109.650 114.554 0.019 0.000 3.380 631 T HA 0.505 4.860 4.350 0.008 0.000 0.289 631 T C 0.774 175.395 174.700 -0.131 0.000 1.012 631 T CA 0.288 62.371 62.100 -0.028 0.000 0.944 631 T CB 0.642 69.524 68.868 0.022 0.000 1.172 631 T HN 0.387 nan 8.240 nan 0.000 0.502 632 G N 1.420 110.135 108.800 -0.142 0.000 2.160 632 G HA2 -0.253 3.711 3.960 0.008 0.000 0.251 632 G HA3 -0.253 3.711 3.960 0.008 0.000 0.251 632 G C -0.035 174.750 174.900 -0.192 0.000 1.008 632 G CA 0.233 45.214 45.100 -0.200 0.000 0.724 632 G HN 0.795 nan 8.290 nan 0.000 0.514 633 H N -0.820 118.196 119.070 -0.091 0.000 2.639 633 H HA 0.450 5.011 4.556 0.007 0.000 0.373 633 H C 1.557 176.884 175.328 -0.000 0.000 1.372 633 H CA 0.832 56.845 56.048 -0.058 0.000 1.448 633 H CB 0.605 30.349 29.762 -0.029 0.000 1.544 633 H HN 0.141 nan 8.280 nan 0.000 0.615 634 K N -0.032 120.356 120.400 -0.020 0.000 2.243 634 K HA -0.007 4.317 4.320 0.008 0.000 0.201 634 K C -0.498 176.146 176.600 0.073 0.000 1.051 634 K CA 0.621 56.840 56.287 -0.113 0.000 0.970 634 K CB 0.358 32.493 32.500 -0.608 0.000 0.755 634 K HN 0.378 nan 8.250 nan 0.000 0.465 635 Y N -0.098 120.401 120.300 0.332 0.000 2.496 635 Y HA 0.551 5.105 4.550 0.007 0.000 0.331 635 Y C -0.087 175.748 175.900 -0.107 0.000 1.140 635 Y CA -1.676 56.427 58.100 0.006 0.000 1.166 635 Y CB 1.549 39.995 38.460 -0.024 0.000 1.249 635 Y HN -0.100 nan 8.280 nan 0.000 0.479 636 A N 1.075 123.630 122.820 -0.442 0.000 2.342 636 A HA 0.924 5.248 4.320 0.008 0.000 0.323 636 A C -1.052 176.044 177.584 -0.813 0.000 1.125 636 A CA -0.468 51.292 52.037 -0.463 0.000 0.785 636 A CB 0.640 19.283 19.000 -0.596 0.000 1.221 636 A HN 0.901 nan 8.150 nan 0.000 0.463 637 A N 1.499 123.995 122.820 -0.541 0.000 2.414 637 A HA 0.763 5.088 4.320 0.008 0.000 0.306 637 A C -1.173 176.347 177.584 -0.106 0.000 1.054 637 A CA -0.506 51.243 52.037 -0.480 0.000 0.724 637 A CB 1.588 20.229 19.000 -0.598 0.000 1.267 637 A HN 1.337 nan 8.150 nan 0.000 0.418 638 V N 1.555 121.535 119.914 0.110 0.000 2.623 638 V HA 0.551 4.676 4.120 0.008 0.000 0.304 638 V C 0.889 177.111 176.094 0.214 0.000 1.054 638 V CA 0.142 62.582 62.300 0.233 0.000 0.882 638 V CB 1.332 33.456 31.823 0.502 0.000 1.002 638 V HN 1.294 nan 8.190 nan 0.000 0.424 639 A N 3.743 126.595 122.820 0.053 0.000 1.903 639 A HA 0.277 4.602 4.320 0.008 0.000 0.213 639 A C 0.657 178.275 177.584 0.057 0.000 1.185 639 A CA 0.843 52.936 52.037 0.094 0.000 0.628 639 A CB 0.146 19.154 19.000 0.014 0.000 0.830 639 A HN 0.794 nan 8.150 nan 0.000 0.446 640 E N -1.170 119.018 120.200 -0.019 0.000 2.366 640 E HA 0.617 4.971 4.350 0.008 0.000 0.278 640 E C -1.849 174.750 176.600 -0.002 0.000 0.923 640 E CA -0.524 55.871 56.400 -0.009 0.000 0.761 640 E CB 2.016 31.690 29.700 -0.043 0.000 1.231 640 E HN 0.204 nan 8.360 nan 0.000 0.443 641 L N 2.058 123.302 121.223 0.035 0.000 2.381 641 L HA 0.487 4.832 4.340 0.008 0.000 0.274 641 L C -0.346 176.543 176.870 0.033 0.000 0.988 641 L CA -0.660 54.211 54.840 0.051 0.000 0.824 641 L CB 1.648 43.755 42.059 0.079 0.000 1.263 641 L HN 0.400 nan 8.230 nan 0.000 0.410 642 E N 2.602 122.821 120.200 0.031 0.000 2.312 642 E HA 0.556 4.911 4.350 0.008 0.000 0.267 642 E C -1.330 175.295 176.600 0.041 0.000 0.894 642 E CA -0.780 55.634 56.400 0.024 0.000 0.773 642 E CB 3.512 33.217 29.700 0.008 0.000 1.241 642 E HN 0.165 nan 8.360 nan 0.000 0.432 643 V N 1.877 121.809 119.914 0.030 0.000 2.417 643 V HA 0.183 4.307 4.120 0.008 0.000 0.291 643 V C -0.120 175.979 176.094 0.009 0.000 1.024 643 V CA -0.783 61.543 62.300 0.044 0.000 0.861 643 V CB 1.414 33.267 31.823 0.050 0.000 0.985 643 V HN 0.545 nan 8.190 nan 0.000 0.436 644 E N 3.459 123.659 120.200 -0.001 0.000 2.180 644 E HA 0.591 4.945 4.350 0.008 0.000 0.283 644 E C 0.414 176.987 176.600 -0.044 0.000 1.061 644 E CA 0.038 56.417 56.400 -0.034 0.000 0.861 644 E CB 1.366 31.026 29.700 -0.066 0.000 1.056 644 E HN 0.934 nan 8.360 nan 0.000 0.407 645 G N 2.480 111.264 108.800 -0.028 0.000 2.441 645 G HA2 0.132 4.097 3.960 0.008 0.000 0.294 645 G HA3 0.132 4.097 3.960 0.008 0.000 0.294 645 G C -1.479 173.424 174.900 0.004 0.000 1.393 645 G CA -0.913 44.184 45.100 -0.006 0.000 0.796 645 G HN 0.390 nan 8.290 nan 0.000 0.494 646 Q N 0.568 120.399 119.800 0.051 0.000 2.278 646 Q HA 0.442 4.787 4.340 0.008 0.000 0.257 646 Q C 0.588 176.682 176.000 0.157 0.000 0.928 646 Q CA -0.416 55.429 55.803 0.071 0.000 0.932 646 Q CB 1.905 30.683 28.738 0.066 0.000 1.221 646 Q HN 0.415 nan 8.270 nan 0.000 0.434 647 R N 0.000 120.560 120.500 0.101 0.000 2.786 647 R HA 0.000 4.345 4.340 0.008 0.000 0.208 647 R CA 0.000 56.195 56.100 0.159 0.000 0.921 647 R CB 0.000 30.335 30.300 0.059 0.000 0.687 647 R HN 0.000 nan 8.270 nan 0.000 0.535