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 2zuv_1_B DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NXXXXXXXXA VLALGKKIYN DATA SEQUENCE AYFPTRAHNE WITLHMDETP QVYLLTDRIL AESDTVDIPL MESFFAEQLK DATA SEQUENCE PNRDADPHKY WEVVDRTTGE VVDSANWTLD ADEDTVHVSG VAAWHEYTVS DATA SEQUENCE FLAYIIWDPV EMYNHLTNDW GDKEHEIPFD IYHPATRKFV FDTFEQWLKD DATA SEQUENCE SPQTDVVRFT TFFYQFTLLF DEKRREKVVD WFGCACTVSP RALDDFEAKY DATA SEQUENCE GYRLRPEDFV DGGAYNSAWR VPRKAQRDWI DFLSGFVREN VKQLADMSHA DATA SEQUENCE AGKEAMMFLG DQWIGTEPYK DGFDELGLDA VVGSIGDGTT TRMIADIPGV DATA SEQUENCE KYTEGRFLPY FFPDTFYEGN DPSIEGLDNW RKARRAILRS PISRMGYGGY DATA SEQUENCE LSLAAKFPKF VDTVTHIANE FRDIHDRTGG VAAEGELNVA ILNSWGKMRS DATA SEQUENCE WMAFTVAHAL PNKQTYSYYG ILESLSGMRV NVRFISFDDV LAHGIDSDID DATA SEQUENCE VIINGGPVDT AFTGGDVWTN PKLVETVRAW VRGGGAFVGV GEPSSAPRFQ DATA SEQUENCE TGRFFQLADV IGVDEERYQT LSVDKYFPPV VPDHFITADV PVDPAAREAW DATA SEQUENCE EQAGYRIPLS GCGGGQSIKP LGGIDFGEPV LNTYPVNENV TLLRADGGQV DATA SEQUENCE QLATNDYGKG RGVYISGLPY SAANARLLER VLFYASHNED KYAAWSSSNP DATA SEQUENCE ECEVAHFPEQ GLYCVINNTD QPQKTTVTLA DGTTEDFDLP DSGIAWRE 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.599 174.600 -0.002 0.000 1.055 3 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 3 S CB 0.000 63.204 63.200 0.006 0.000 0.593 4 T N 1.867 116.424 114.554 0.004 0.000 2.841 4 T HA 0.845 5.196 4.350 0.002 0.000 0.296 4 T C 0.236 174.947 174.700 0.018 0.000 1.166 4 T CA 1.177 63.278 62.100 0.001 0.000 1.007 4 T CB 0.872 69.734 68.868 -0.010 0.000 1.253 4 T HN 2.325 nan 8.240 nan 0.000 0.511 5 G N 1.881 110.699 108.800 0.029 0.000 2.587 5 G HA2 -0.042 3.919 3.960 0.002 0.000 0.212 5 G HA3 -0.042 3.919 3.960 0.002 0.000 0.212 5 G C -0.225 174.728 174.900 0.089 0.000 1.327 5 G CA 0.222 45.353 45.100 0.052 0.000 0.898 5 G HN 1.224 nan 8.290 nan 0.000 0.551 6 R N -2.061 118.475 120.500 0.059 0.000 3.627 6 R HA -0.210 4.131 4.340 0.002 0.000 0.281 6 R C -0.151 176.152 176.300 0.004 0.000 1.140 6 R CA 1.472 57.605 56.100 0.054 0.000 0.761 6 R CB -1.678 28.716 30.300 0.158 0.000 1.181 6 R HN 1.210 nan 8.270 nan 0.000 0.472 7 F N -0.657 119.217 119.950 -0.126 0.000 2.573 7 F HA 0.297 4.826 4.527 0.002 0.000 0.316 7 F C -0.427 175.309 175.800 -0.107 0.000 1.148 7 F CA -0.497 57.406 58.000 -0.161 0.000 0.940 7 F CB 1.901 40.830 39.000 -0.119 0.000 1.214 7 F HN -0.191 nan 8.300 nan 0.000 0.448 8 T N 7.053 121.406 114.554 -0.335 0.000 2.758 8 T HA 0.463 4.814 4.350 0.002 0.000 0.285 8 T C -1.041 173.568 174.700 -0.151 0.000 0.981 8 T CA -0.374 61.566 62.100 -0.267 0.000 0.965 8 T CB 1.210 69.806 68.868 -0.453 0.000 0.927 8 T HN 0.501 nan 8.240 nan 0.000 0.448 9 L N 6.920 128.209 121.223 0.109 0.000 2.295 9 L HA 0.612 4.953 4.340 0.002 0.000 0.285 9 L C -2.435 174.516 176.870 0.135 0.000 1.035 9 L CA -2.040 52.986 54.840 0.310 0.000 0.806 9 L CB 1.210 43.510 42.059 0.402 0.000 1.214 9 L HN 0.302 nan 8.230 nan 0.000 0.426 10 P HA 0.308 nan 4.420 nan 0.000 0.281 10 P C -1.295 176.095 177.300 0.150 0.000 1.249 10 P CA -0.392 62.754 63.100 0.078 0.000 0.810 10 P CB 1.820 33.515 31.700 -0.008 0.000 1.008 11 S N 0.072 115.837 115.700 0.107 0.000 2.732 11 S HA 0.685 5.156 4.470 0.002 0.000 0.293 11 S C -1.521 173.146 174.600 0.111 0.000 1.159 11 S CA -0.573 57.718 58.200 0.151 0.000 0.847 11 S CB 1.287 64.573 63.200 0.143 0.000 1.169 11 S HN 0.636 nan 8.310 nan 0.000 0.501 12 E N 0.194 120.483 120.200 0.148 0.000 2.423 12 E HA 0.337 4.688 4.350 0.002 0.000 0.280 12 E C -1.503 175.180 176.600 0.138 0.000 1.030 12 E CA -1.026 55.441 56.400 0.111 0.000 0.812 12 E CB 0.521 30.269 29.700 0.080 0.000 1.313 12 E HN 0.560 nan 8.360 nan 0.000 0.456 13 E N 1.084 121.348 120.200 0.107 0.000 2.653 13 E HA -0.088 4.263 4.350 0.002 0.000 0.264 13 E C -0.547 176.131 176.600 0.130 0.000 0.949 13 E CA 0.941 57.401 56.400 0.100 0.000 0.953 13 E CB -0.200 29.545 29.700 0.075 0.000 0.925 13 E HN 0.648 nan 8.360 nan 0.000 0.475 14 N N 0.973 119.750 118.700 0.127 0.000 2.754 14 N HA -0.242 4.500 4.740 0.002 0.000 0.248 14 N C -0.723 174.938 175.510 0.252 0.000 1.093 14 N CA 0.515 53.648 53.050 0.138 0.000 0.699 14 N CB -1.010 37.539 38.487 0.103 0.000 1.016 14 N HN 0.431 nan 8.380 nan 0.000 0.552 15 F N -0.765 119.194 119.950 0.015 0.000 2.671 15 F HA 0.637 5.166 4.527 0.002 0.000 0.384 15 F C 1.297 177.096 175.800 -0.003 0.000 1.351 15 F CA -0.112 57.892 58.000 0.008 0.000 1.151 15 F CB -0.020 38.995 39.000 0.025 0.000 1.147 15 F HN 0.115 nan 8.300 nan 0.000 0.513 16 A N 0.136 122.945 122.820 -0.017 0.000 1.858 16 A HA -0.160 4.161 4.320 0.002 0.000 0.216 16 A C 2.032 179.519 177.584 -0.162 0.000 1.190 16 A CA 2.112 54.112 52.037 -0.062 0.000 0.617 16 A CB -0.377 18.606 19.000 -0.029 0.000 0.827 16 A HN 0.475 nan 8.150 nan 0.000 0.443 17 E N 0.707 120.785 120.200 -0.203 0.000 2.033 17 E HA -0.225 4.126 4.350 0.002 0.000 0.199 17 E C 1.754 178.148 176.600 -0.343 0.000 1.011 17 E CA 1.649 57.909 56.400 -0.234 0.000 0.815 17 E CB -0.462 29.113 29.700 -0.209 0.000 0.755 17 E HN 0.392 nan 8.360 nan 0.000 0.451 18 K N 0.102 120.136 120.400 -0.610 0.000 2.148 18 K HA 0.030 4.351 4.320 0.002 0.000 0.204 18 K C 2.286 178.581 176.600 -0.509 0.000 1.050 18 K CA 1.440 57.295 56.287 -0.720 0.000 0.942 18 K CB -0.523 31.139 32.500 -1.396 0.000 0.724 18 K HN 0.269 nan 8.250 nan 0.000 0.446 19 T N 1.494 115.803 114.554 -0.408 0.000 2.684 19 T HA -0.132 4.219 4.350 0.002 0.000 0.267 19 T C 1.849 176.456 174.700 -0.154 0.000 1.036 19 T CA 1.460 63.469 62.100 -0.152 0.000 1.148 19 T CB -0.022 68.835 68.868 -0.018 0.000 0.863 19 T HN 0.281 nan 8.240 nan 0.000 0.436 20 K N 0.761 121.066 120.400 -0.158 0.000 2.057 20 K HA -0.127 4.195 4.320 0.002 0.000 0.207 20 K C 2.447 178.945 176.600 -0.170 0.000 1.049 20 K CA 1.350 57.557 56.287 -0.133 0.000 0.931 20 K CB -0.139 32.293 32.500 -0.114 0.000 0.714 20 K HN 0.475 nan 8.250 nan 0.000 0.440 21 E N 1.240 121.310 120.200 -0.217 0.000 2.031 21 E HA -0.203 4.148 4.350 0.002 0.000 0.193 21 E C 1.991 178.400 176.600 -0.320 0.000 0.994 21 E CA 1.097 57.354 56.400 -0.238 0.000 0.800 21 E CB -0.004 29.547 29.700 -0.249 0.000 0.752 21 E HN 0.212 nan 8.360 nan 0.000 0.447 22 L N 0.385 121.359 121.223 -0.415 0.000 2.109 22 L HA -0.080 4.262 4.340 0.002 0.000 0.207 22 L C 2.718 179.268 176.870 -0.534 0.000 1.086 22 L CA 0.804 55.217 54.840 -0.712 0.000 0.760 22 L CB -0.461 41.064 42.059 -0.889 0.000 0.910 22 L HN 0.223 nan 8.230 nan 0.000 0.437 23 A N -0.027 122.640 122.820 -0.256 0.000 1.892 23 A HA -0.302 4.020 4.320 0.002 0.000 0.218 23 A C 2.288 179.793 177.584 -0.131 0.000 1.188 23 A CA 2.194 54.164 52.037 -0.111 0.000 0.631 23 A CB -0.579 18.391 19.000 -0.050 0.000 0.822 23 A HN 0.478 nan 8.150 nan 0.000 0.447 24 E N -0.971 119.135 120.200 -0.155 0.000 2.072 24 E HA -0.171 4.180 4.350 0.002 0.000 0.191 24 E C 1.909 178.424 176.600 -0.141 0.000 0.985 24 E CA 1.157 57.480 56.400 -0.128 0.000 0.801 24 E CB -0.153 29.475 29.700 -0.119 0.000 0.750 24 E HN 0.425 nan 8.360 nan 0.000 0.452 25 L N -0.016 121.075 121.223 -0.219 0.000 2.093 25 L HA -0.138 4.203 4.340 0.002 0.000 0.208 25 L C 1.487 178.331 176.870 -0.044 0.000 1.085 25 L CA 1.389 56.114 54.840 -0.191 0.000 0.755 25 L CB -0.280 41.566 42.059 -0.354 0.000 0.904 25 L HN 0.328 nan 8.230 nan 0.000 0.435 26 W N -0.385 120.728 121.300 -0.311 0.000 3.278 26 W HA 0.454 5.115 4.660 0.002 0.000 0.308 26 W C 1.542 177.686 176.519 -0.626 0.000 1.253 26 W CA 0.172 57.175 57.345 -0.571 0.000 1.759 26 W CB -1.025 27.914 29.460 -0.869 0.000 1.093 26 W HN 0.313 nan 8.180 nan 0.000 0.648 27 G N 1.142 109.847 108.800 -0.158 0.000 2.246 27 G HA2 -0.072 3.889 3.960 0.002 0.000 0.273 27 G HA3 -0.072 3.889 3.960 0.002 0.000 0.273 27 G C 0.467 175.314 174.900 -0.089 0.000 1.055 27 G CA 0.005 45.034 45.100 -0.119 0.000 0.851 27 G HN 0.437 nan 8.290 nan 0.000 0.500 28 A N 0.173 122.954 122.820 -0.066 0.000 2.440 28 A HA 0.558 4.879 4.320 0.002 0.000 0.251 28 A C 1.176 178.814 177.584 0.090 0.000 1.089 28 A CA 0.694 52.804 52.037 0.122 0.000 0.779 28 A CB 0.390 19.529 19.000 0.232 0.000 1.022 28 A HN 0.810 nan 8.150 nan 0.000 0.492 29 D N 0.321 120.786 120.400 0.109 0.000 2.469 29 D HA 0.428 5.069 4.640 0.002 0.000 0.213 29 D C 0.100 176.434 176.300 0.056 0.000 1.135 29 D CA 0.704 54.740 54.000 0.061 0.000 0.834 29 D CB 0.185 41.013 40.800 0.047 0.000 1.009 29 D HN 0.626 nan 8.370 nan 0.000 0.507 30 A N 0.197 123.038 122.820 0.035 0.000 2.539 30 A HA 0.734 5.056 4.320 0.002 0.000 0.296 30 A C -1.321 176.203 177.584 -0.100 0.000 1.073 30 A CA -0.777 51.228 52.037 -0.052 0.000 0.700 30 A CB 1.473 20.352 19.000 -0.201 0.000 1.296 30 A HN 0.133 nan 8.150 nan 0.000 0.405 31 I N 1.427 121.934 120.570 -0.106 0.000 2.533 31 I HA 0.521 4.692 4.170 0.002 0.000 0.290 31 I C -0.000 176.068 176.117 -0.081 0.000 1.056 31 I CA -0.650 60.615 61.300 -0.058 0.000 1.057 31 I CB 2.285 40.301 38.000 0.027 0.000 1.240 31 I HN 0.915 nan 8.210 nan 0.000 0.423 32 R N 3.093 123.547 120.500 -0.076 0.000 2.854 32 R HA 0.606 4.947 4.340 0.002 0.000 0.271 32 R C -0.885 175.441 176.300 0.043 0.000 0.996 32 R CA -0.928 55.173 56.100 0.001 0.000 0.961 32 R CB 1.140 31.421 30.300 -0.031 0.000 1.182 32 R HN 0.597 nan 8.270 nan 0.000 0.479 43 V N -0.825 119.103 119.914 0.023 0.000 3.649 43 V HA 0.276 4.398 4.120 0.002 0.000 0.275 43 V C 1.705 177.811 176.094 0.020 0.000 1.281 43 V CA 1.244 63.556 62.300 0.019 0.000 1.143 43 V CB -0.691 31.149 31.823 0.028 0.000 0.892 43 V HN 0.336 nan 8.190 nan 0.000 0.441 44 L N 1.160 122.395 121.223 0.021 0.000 2.349 44 L HA 0.011 4.352 4.340 0.002 0.000 0.220 44 L C 2.523 179.398 176.870 0.009 0.000 1.130 44 L CA 1.601 56.451 54.840 0.018 0.000 0.791 44 L CB -0.476 41.590 42.059 0.011 0.000 0.918 44 L HN 0.480 nan 8.230 nan 0.000 0.444 45 A N -0.819 122.004 122.820 0.005 0.000 2.345 45 A HA 0.335 4.656 4.320 0.002 0.000 0.225 45 A C 0.794 178.378 177.584 -0.001 0.000 1.243 45 A CA -0.276 51.760 52.037 -0.000 0.000 0.875 45 A CB -0.156 18.842 19.000 -0.004 0.000 0.929 45 A HN 0.200 nan 8.150 nan 0.000 0.502 46 L N -1.143 120.082 121.223 0.002 0.000 2.439 46 L HA 0.466 4.807 4.340 0.002 0.000 0.259 46 L C 1.113 177.987 176.870 0.005 0.000 1.129 46 L CA -0.458 54.382 54.840 -0.001 0.000 0.803 46 L CB 0.679 42.737 42.059 -0.002 0.000 1.161 46 L HN 0.222 nan 8.230 nan 0.000 0.462 47 G N 1.568 110.370 108.800 0.002 0.000 3.209 47 G HA2 0.281 4.242 3.960 0.002 0.000 0.274 47 G HA3 0.281 4.242 3.960 0.002 0.000 0.274 47 G C -0.114 174.795 174.900 0.015 0.000 0.850 47 G CA -0.274 44.830 45.100 0.007 0.000 1.907 47 G HN 0.329 nan 8.290 nan 0.000 0.591 48 K N 0.562 120.978 120.400 0.026 0.000 2.443 48 K HA 0.364 4.685 4.320 0.002 0.000 0.251 48 K C -0.561 176.076 176.600 0.062 0.000 0.972 48 K CA -1.095 55.216 56.287 0.040 0.000 0.833 48 K CB 2.505 35.027 32.500 0.037 0.000 1.317 48 K HN 0.215 nan 8.250 nan 0.000 0.441 49 K N 1.871 122.324 120.400 0.089 0.000 2.379 49 K HA 0.185 4.506 4.320 0.002 0.000 0.284 49 K C -0.291 176.428 176.600 0.198 0.000 1.044 49 K CA -0.283 56.095 56.287 0.151 0.000 0.974 49 K CB 0.383 33.007 32.500 0.207 0.000 0.962 49 K HN 0.347 nan 8.250 nan 0.000 0.474 50 I N 5.916 126.606 120.570 0.201 0.000 2.321 50 I HA 0.136 4.308 4.170 0.002 0.000 0.291 50 I C -0.510 175.813 176.117 0.343 0.000 0.998 50 I CA -0.602 60.824 61.300 0.209 0.000 1.227 50 I CB 0.381 38.450 38.000 0.114 0.000 1.368 50 I HN 0.491 nan 8.210 nan 0.000 0.466 51 Y N 4.892 125.229 120.300 0.061 0.000 2.323 51 Y HA 0.412 4.963 4.550 0.002 0.000 0.331 51 Y C 0.613 176.551 175.900 0.063 0.000 1.092 51 Y CA -1.017 57.118 58.100 0.058 0.000 1.150 51 Y CB 0.959 39.445 38.460 0.044 0.000 1.200 51 Y HN 0.440 nan 8.280 nan 0.000 0.472 52 N N 1.263 120.090 118.700 0.212 0.000 2.296 52 N HA 0.555 5.296 4.740 0.002 0.000 0.294 52 N C -0.923 174.605 175.510 0.029 0.000 1.033 52 N CA -0.559 52.604 53.050 0.189 0.000 0.839 52 N CB 2.286 40.991 38.487 0.364 0.000 1.395 52 N HN 0.726 nan 8.380 nan 0.000 0.479 53 A N 2.139 124.906 122.820 -0.088 0.000 2.425 53 A HA 0.308 4.630 4.320 0.002 0.000 0.249 53 A C -1.005 176.155 177.584 -0.707 0.000 1.084 53 A CA 0.236 52.040 52.037 -0.388 0.000 0.781 53 A CB 0.109 18.885 19.000 -0.373 0.000 1.019 53 A HN 0.659 nan 8.150 nan 0.000 0.490 54 Y N 0.810 120.482 120.300 -1.046 0.000 2.425 54 Y HA 0.591 5.142 4.550 0.002 0.000 0.344 54 Y C -1.418 173.916 175.900 -0.945 0.000 0.969 54 Y CA -1.051 56.400 58.100 -1.081 0.000 1.052 54 Y CB 1.760 39.584 38.460 -1.061 0.000 1.215 54 Y HN 0.535 nan 8.280 nan 0.000 0.451 55 F N 7.260 126.845 119.950 -0.609 0.000 2.451 55 F HA 0.414 4.942 4.527 0.002 0.000 0.367 55 F C -2.052 173.571 175.800 -0.295 0.000 1.100 55 F CA -2.642 55.158 58.000 -0.332 0.000 1.171 55 F CB 0.959 39.801 39.000 -0.263 0.000 1.405 55 F HN 0.390 nan 8.300 nan 0.000 0.482 56 P HA -0.128 nan 4.420 nan 0.000 0.218 56 P C 1.370 178.747 177.300 0.129 0.000 1.148 56 P CA 1.541 64.739 63.100 0.162 0.000 0.822 56 P CB 0.108 31.916 31.700 0.181 0.000 0.784 57 T N -3.906 110.591 114.554 -0.095 0.000 3.186 57 T HA 0.295 4.646 4.350 0.002 0.000 0.257 57 T C 0.548 174.591 174.700 -1.094 0.000 1.029 57 T CA -0.543 61.208 62.100 -0.581 0.000 0.916 57 T CB -0.290 68.384 68.868 -0.323 0.000 1.041 57 T HN 0.212 nan 8.240 nan 0.000 0.562 58 R N -1.066 119.151 120.500 -0.471 0.000 3.015 58 R HA 0.752 5.093 4.340 0.002 0.000 0.258 58 R C 0.009 176.407 176.300 0.163 0.000 1.172 58 R CA -0.658 55.322 56.100 -0.199 0.000 1.003 58 R CB -0.046 30.176 30.300 -0.131 0.000 1.326 58 R HN 0.333 nan 8.270 nan 0.000 0.449 59 A N -0.348 122.529 122.820 0.095 0.000 2.899 59 A HA -0.156 4.166 4.320 0.002 0.000 0.257 59 A C -0.467 176.971 177.584 -0.242 0.000 1.335 59 A CA 1.404 53.406 52.037 -0.059 0.000 0.924 59 A CB -2.399 16.528 19.000 -0.120 0.000 1.105 59 A HN 0.707 nan 8.150 nan 0.000 0.765 60 H N -0.882 118.449 119.070 0.434 0.000 2.597 60 H HA 0.201 4.758 4.556 0.002 0.000 0.225 60 H C 0.823 176.334 175.328 0.306 0.000 1.422 60 H CA -0.244 56.048 56.048 0.408 0.000 1.335 60 H CB 0.018 30.101 29.762 0.535 0.000 1.783 60 H HN 0.409 nan 8.280 nan 0.000 0.513 61 N N 1.028 119.896 118.700 0.280 0.000 2.364 61 N HA -0.149 4.592 4.740 0.002 0.000 0.183 61 N C 2.090 177.663 175.510 0.105 0.000 1.022 61 N CA 0.773 53.928 53.050 0.176 0.000 0.883 61 N CB 0.304 38.849 38.487 0.097 0.000 0.965 61 N HN 0.633 nan 8.380 nan 0.000 0.438 62 E N 0.106 120.390 120.200 0.139 0.000 2.153 62 E HA -0.211 4.140 4.350 0.002 0.000 0.194 62 E C 1.794 178.412 176.600 0.031 0.000 0.988 62 E CA 0.735 57.190 56.400 0.092 0.000 0.811 62 E CB -0.781 29.011 29.700 0.153 0.000 0.746 62 E HN 0.603 nan 8.360 nan 0.000 0.466 63 W N 1.138 122.296 121.300 -0.236 0.000 2.463 63 W HA -0.077 4.585 4.660 0.002 0.000 0.316 63 W C 2.011 178.347 176.519 -0.305 0.000 1.170 63 W CA 0.830 57.847 57.345 -0.547 0.000 1.355 63 W CB -0.350 28.197 29.460 -1.521 0.000 1.159 63 W HN 0.093 nan 8.180 nan 0.000 0.487 64 I N 2.461 122.866 120.570 -0.275 0.000 2.493 64 I HA -0.228 3.943 4.170 0.002 0.000 0.254 64 I C 2.532 178.509 176.117 -0.234 0.000 1.160 64 I CA 2.351 63.492 61.300 -0.265 0.000 1.445 64 I CB -0.712 37.393 38.000 0.175 0.000 1.086 64 I HN 0.071 nan 8.210 nan 0.000 0.433 65 T N -1.955 112.495 114.554 -0.174 0.000 3.007 65 T HA -0.099 4.252 4.350 0.002 0.000 0.270 65 T C 1.600 176.143 174.700 -0.262 0.000 1.107 65 T CA 1.122 63.117 62.100 -0.175 0.000 1.118 65 T CB -0.555 68.243 68.868 -0.117 0.000 0.889 65 T HN 0.388 nan 8.240 nan 0.000 0.506 66 L N 0.007 121.005 121.223 -0.374 0.000 2.640 66 L HA 0.293 4.634 4.340 0.002 0.000 0.230 66 L C 0.761 177.082 176.870 -0.916 0.000 1.123 66 L CA 0.120 54.627 54.840 -0.554 0.000 0.900 66 L CB 0.006 41.734 42.059 -0.552 0.000 1.146 66 L HN 0.407 nan 8.230 nan 0.000 0.484 67 H N -0.450 118.269 119.070 -0.586 0.000 2.825 67 H HA 0.231 4.788 4.556 0.002 0.000 0.226 67 H C 0.868 175.968 175.328 -0.381 0.000 1.414 67 H CA -0.280 55.451 56.048 -0.529 0.000 1.198 67 H CB 0.889 30.186 29.762 -0.774 0.000 2.013 67 H HN 0.106 nan 8.280 nan 0.000 0.530 68 M N 0.914 120.345 119.600 -0.282 0.000 2.549 68 M HA -0.080 4.401 4.480 0.002 0.000 0.260 68 M C 1.297 177.329 176.300 -0.447 0.000 1.076 68 M CA 0.928 56.041 55.300 -0.312 0.000 1.090 68 M CB -0.507 31.894 32.600 -0.331 0.000 1.418 68 M HN 0.401 nan 8.290 nan 0.000 0.486 69 D N -0.141 120.057 120.400 -0.337 0.000 2.363 69 D HA -0.125 4.516 4.640 0.002 0.000 0.226 69 D C 0.666 176.870 176.300 -0.159 0.000 1.020 69 D CA 0.592 54.460 54.000 -0.221 0.000 0.892 69 D CB -0.437 40.319 40.800 -0.072 0.000 0.900 69 D HN 0.436 nan 8.370 nan 0.000 0.531 70 E N 0.405 120.493 120.200 -0.187 0.000 2.501 70 E HA 0.052 4.404 4.350 0.002 0.000 0.200 70 E C 0.219 176.951 176.600 0.220 0.000 1.016 70 E CA -0.138 56.169 56.400 -0.154 0.000 0.921 70 E CB 0.463 30.128 29.700 -0.057 0.000 1.034 70 E HN 0.330 nan 8.360 nan 0.000 0.468 71 T N 0.612 115.268 114.554 0.170 0.000 2.856 71 T HA 0.173 4.525 4.350 0.002 0.000 0.306 71 T C -2.173 172.724 174.700 0.328 0.000 1.062 71 T CA -1.637 60.614 62.100 0.251 0.000 1.083 71 T CB 0.782 69.743 68.868 0.157 0.000 0.984 71 T HN -0.165 nan 8.240 nan 0.000 0.542 72 P HA 0.200 nan 4.420 nan 0.000 0.270 72 P C -0.727 176.685 177.300 0.186 0.000 1.223 72 P CA -0.317 62.940 63.100 0.262 0.000 0.785 72 P CB 0.532 32.368 31.700 0.227 0.000 0.923 73 Q N -0.530 119.319 119.800 0.082 0.000 2.528 73 Q HA 0.743 5.084 4.340 0.002 0.000 0.289 73 Q C -1.361 174.521 176.000 -0.196 0.000 1.091 73 Q CA -1.133 54.616 55.803 -0.090 0.000 0.797 73 Q CB 2.784 31.395 28.738 -0.212 0.000 1.466 73 Q HN 0.258 nan 8.270 nan 0.000 0.436 74 V N 0.654 120.374 119.914 -0.323 0.000 2.932 74 V HA 0.411 4.533 4.120 0.002 0.000 0.307 74 V C -1.989 173.815 176.094 -0.484 0.000 1.147 74 V CA -0.521 61.583 62.300 -0.328 0.000 0.951 74 V CB 1.657 33.365 31.823 -0.191 0.000 1.031 74 V HN 0.759 nan 8.190 nan 0.000 0.426 75 Y N 6.044 126.120 120.300 -0.375 0.000 2.402 75 Y HA 0.512 5.063 4.550 0.002 0.000 0.333 75 Y C 0.424 176.122 175.900 -0.337 0.000 1.076 75 Y CA 0.069 57.928 58.100 -0.401 0.000 1.299 75 Y CB 1.054 39.331 38.460 -0.304 0.000 1.197 75 Y HN 0.472 nan 8.280 nan 0.000 0.517 76 L N 5.011 125.925 121.223 -0.516 0.000 2.334 76 L HA 0.447 4.788 4.340 0.002 0.000 0.276 76 L C -1.033 175.653 176.870 -0.307 0.000 1.014 76 L CA -1.194 53.326 54.840 -0.534 0.000 0.815 76 L CB 1.730 42.923 42.059 -1.442 0.000 1.268 76 L HN 0.432 nan 8.230 nan 0.000 0.428 77 L N 2.375 123.696 121.223 0.164 0.000 2.287 77 L HA 0.434 4.775 4.340 0.002 0.000 0.287 77 L C 0.547 177.635 176.870 0.363 0.000 1.022 77 L CA 0.008 54.941 54.840 0.154 0.000 0.814 77 L CB 1.634 43.695 42.059 0.003 0.000 1.217 77 L HN 0.748 nan 8.230 nan 0.000 0.420 78 T N 0.716 115.466 114.554 0.327 0.000 2.748 78 T HA 0.188 4.540 4.350 0.002 0.000 0.304 78 T C 0.223 174.997 174.700 0.123 0.000 1.041 78 T CA -0.678 61.598 62.100 0.294 0.000 1.033 78 T CB 0.224 69.218 68.868 0.209 0.000 0.995 78 T HN 0.558 nan 8.240 nan 0.000 0.536 79 D N 0.652 121.085 120.400 0.055 0.000 2.390 79 D HA 0.133 4.775 4.640 0.002 0.000 0.236 79 D C 0.453 176.777 176.300 0.040 0.000 1.189 79 D CA 0.143 54.156 54.000 0.021 0.000 0.887 79 D CB 0.330 41.128 40.800 -0.002 0.000 1.198 79 D HN 0.452 nan 8.370 nan 0.000 0.444 80 R N 1.174 121.693 120.500 0.031 0.000 2.316 80 R HA 0.259 4.600 4.340 0.002 0.000 0.314 80 R C -0.251 176.083 176.300 0.056 0.000 1.069 80 R CA -0.374 55.749 56.100 0.039 0.000 0.959 80 R CB 0.596 30.907 30.300 0.020 0.000 0.987 80 R HN 0.271 nan 8.270 nan 0.000 0.446 81 I N 4.637 125.260 120.570 0.088 0.000 2.354 81 I HA 0.168 4.339 4.170 0.002 0.000 0.292 81 I C -0.118 176.085 176.117 0.144 0.000 0.989 81 I CA -1.138 60.220 61.300 0.097 0.000 1.188 81 I CB 1.170 39.218 38.000 0.081 0.000 1.342 81 I HN 0.452 nan 8.210 nan 0.000 0.457 82 L N 6.323 127.615 121.223 0.114 0.000 2.313 82 L HA 0.532 4.873 4.340 0.002 0.000 0.282 82 L C 0.536 177.454 176.870 0.079 0.000 1.092 82 L CA 0.083 55.002 54.840 0.132 0.000 0.831 82 L CB 0.762 42.903 42.059 0.136 0.000 1.159 82 L HN 0.741 nan 8.230 nan 0.000 0.442 83 A N 4.609 127.498 122.820 0.115 0.000 2.409 83 A HA 0.340 4.661 4.320 0.002 0.000 0.262 83 A C 0.563 177.917 177.584 -0.383 0.000 1.113 83 A CA -0.206 51.789 52.037 -0.069 0.000 0.790 83 A CB 0.058 19.062 19.000 0.006 0.000 1.046 83 A HN 0.891 nan 8.150 nan 0.000 0.496 84 E N 1.020 120.921 120.200 -0.499 0.000 2.583 84 E HA 0.153 4.504 4.350 0.002 0.000 0.213 84 E C 0.109 176.290 176.600 -0.699 0.000 0.989 84 E CA 0.531 56.347 56.400 -0.972 0.000 0.991 84 E CB 0.338 29.706 29.700 -0.552 0.000 1.040 84 E HN 0.796 nan 8.360 nan 0.000 0.481 85 S N 0.082 115.513 115.700 -0.447 0.000 2.873 85 S HA 0.062 4.533 4.470 0.002 0.000 0.303 85 S C -0.151 174.318 174.600 -0.217 0.000 1.222 85 S CA -0.530 57.510 58.200 -0.267 0.000 0.923 85 S CB 0.680 63.786 63.200 -0.156 0.000 1.286 85 S HN 0.011 nan 8.310 nan 0.000 0.571 86 D N 1.156 121.471 120.400 -0.142 0.000 2.336 86 D HA 0.140 4.781 4.640 0.002 0.000 0.229 86 D C 0.727 176.948 176.300 -0.131 0.000 1.061 86 D CA 0.693 54.618 54.000 -0.124 0.000 0.875 86 D CB -0.579 40.174 40.800 -0.079 0.000 0.904 86 D HN 0.732 nan 8.370 nan 0.000 0.525 87 T N -3.022 111.451 114.554 -0.134 0.000 2.908 87 T HA 0.643 4.994 4.350 0.002 0.000 0.290 87 T C -0.604 174.009 174.700 -0.145 0.000 1.034 87 T CA -0.994 61.035 62.100 -0.119 0.000 1.010 87 T CB 2.374 71.204 68.868 -0.063 0.000 1.068 87 T HN -0.030 nan 8.240 nan 0.000 0.481 88 V N 0.796 120.626 119.914 -0.141 0.000 2.969 88 V HA 0.515 4.636 4.120 0.002 0.000 0.304 88 V C -1.995 174.071 176.094 -0.046 0.000 1.192 88 V CA -0.764 61.467 62.300 -0.115 0.000 0.962 88 V CB 2.345 34.055 31.823 -0.189 0.000 1.045 88 V HN 1.072 nan 8.190 nan 0.000 0.428 89 D N 5.452 125.849 120.400 -0.004 0.000 2.256 89 D HA 0.564 5.205 4.640 0.002 0.000 0.240 89 D C -0.471 175.811 176.300 -0.029 0.000 1.062 89 D CA 0.251 54.255 54.000 0.006 0.000 0.832 89 D CB 1.910 42.749 40.800 0.064 0.000 1.135 89 D HN 0.505 nan 8.370 nan 0.000 0.484 90 I N 3.930 124.460 120.570 -0.067 0.000 2.354 90 I HA 0.236 4.407 4.170 0.002 0.000 0.286 90 I C -2.272 173.797 176.117 -0.079 0.000 1.007 90 I CA -2.161 59.108 61.300 -0.052 0.000 1.167 90 I CB 1.711 39.682 38.000 -0.049 0.000 1.320 90 I HN -0.034 nan 8.210 nan 0.000 0.458 91 P HA 0.128 nan 4.420 nan 0.000 0.271 91 P C 0.600 177.870 177.300 -0.049 0.000 1.226 91 P CA -0.036 63.037 63.100 -0.045 0.000 0.765 91 P CB 0.855 32.554 31.700 -0.002 0.000 0.835 92 L N 2.081 123.221 121.223 -0.139 0.000 2.131 92 L HA 0.010 4.351 4.340 0.002 0.000 0.206 92 L C 1.832 178.741 176.870 0.065 0.000 1.087 92 L CA 1.351 56.019 54.840 -0.287 0.000 0.767 92 L CB -0.368 41.208 42.059 -0.804 0.000 0.917 92 L HN 0.377 nan 8.230 nan 0.000 0.441 93 M N -1.383 118.280 119.600 0.107 0.000 2.313 93 M HA 0.073 4.555 4.480 0.002 0.000 0.273 93 M C 1.552 178.002 176.300 0.250 0.000 1.049 93 M CA 0.428 55.901 55.300 0.289 0.000 1.004 93 M CB 0.298 33.005 32.600 0.178 0.000 1.461 93 M HN 0.163 nan 8.290 nan 0.000 0.514 94 E N 0.653 120.936 120.200 0.139 0.000 2.265 94 E HA -0.128 4.223 4.350 0.002 0.000 0.196 94 E C 1.516 178.140 176.600 0.038 0.000 0.996 94 E CA 1.548 57.997 56.400 0.083 0.000 0.832 94 E CB 0.179 29.906 29.700 0.045 0.000 0.756 94 E HN 0.434 nan 8.360 nan 0.000 0.491 95 S N -0.679 114.995 115.700 -0.043 0.000 2.540 95 S HA 0.150 4.621 4.470 0.002 0.000 0.218 95 S C 0.128 174.496 174.600 -0.386 0.000 0.977 95 S CA -0.530 57.520 58.200 -0.252 0.000 0.918 95 S CB 0.158 63.114 63.200 -0.406 0.000 0.806 95 S HN -0.059 nan 8.310 nan 0.000 0.496 96 F N 0.935 120.978 119.950 0.155 0.000 2.556 96 F HA 0.581 5.109 4.527 0.002 0.000 0.327 96 F C -0.226 175.744 175.800 0.284 0.000 1.059 96 F CA -1.985 56.133 58.000 0.196 0.000 0.953 96 F CB 0.772 39.890 39.000 0.196 0.000 1.227 96 F HN 0.044 nan 8.300 nan 0.000 0.478 97 F N 2.111 122.269 119.950 0.348 0.000 2.466 97 F HA 0.420 4.948 4.527 0.002 0.000 0.363 97 F C 0.944 176.888 175.800 0.241 0.000 1.109 97 F CA -1.414 56.741 58.000 0.258 0.000 1.161 97 F CB 0.519 39.674 39.000 0.258 0.000 1.117 97 F HN 0.548 nan 8.300 nan 0.000 0.539 98 A N 4.885 127.823 122.820 0.198 0.000 2.119 98 A HA -0.069 4.252 4.320 0.002 0.000 0.217 98 A C 1.906 179.392 177.584 -0.163 0.000 1.153 98 A CA 1.017 53.082 52.037 0.047 0.000 0.692 98 A CB -0.495 18.567 19.000 0.103 0.000 0.799 98 A HN 0.782 nan 8.150 nan 0.000 0.458 99 E N -0.828 119.017 120.200 -0.591 0.000 2.358 99 E HA -0.146 4.205 4.350 0.002 0.000 0.195 99 E C 1.855 178.309 176.600 -0.243 0.000 1.010 99 E CA 0.843 56.926 56.400 -0.530 0.000 0.856 99 E CB 0.055 29.301 29.700 -0.758 0.000 0.795 99 E HN 0.838 nan 8.360 nan 0.000 0.504 100 Q N -0.083 119.549 119.800 -0.281 0.000 2.394 100 Q HA 0.129 4.470 4.340 0.002 0.000 0.218 100 Q C 0.097 176.128 176.000 0.050 0.000 0.907 100 Q CA 0.226 56.035 55.803 0.011 0.000 0.919 100 Q CB 0.728 29.496 28.738 0.050 0.000 1.051 100 Q HN 0.080 nan 8.270 nan 0.000 0.538 101 L N 1.065 122.310 121.223 0.037 0.000 2.401 101 L HA 0.551 4.893 4.340 0.002 0.000 0.266 101 L C -0.993 175.921 176.870 0.072 0.000 0.991 101 L CA -0.717 54.146 54.840 0.038 0.000 0.818 101 L CB 2.326 44.371 42.059 -0.023 0.000 1.321 101 L HN -0.172 nan 8.230 nan 0.000 0.413 102 K N 3.244 123.707 120.400 0.105 0.000 2.507 102 K HA 0.534 4.855 4.320 0.002 0.000 0.251 102 K C -2.768 173.942 176.600 0.184 0.000 0.943 102 K CA -1.700 54.677 56.287 0.150 0.000 0.794 102 K CB 2.643 35.246 32.500 0.173 0.000 1.188 102 K HN 0.111 nan 8.250 nan 0.000 0.428 103 P HA -0.035 nan 4.420 nan 0.000 0.265 103 P C -1.104 176.326 177.300 0.217 0.000 1.193 103 P CA -0.187 63.042 63.100 0.216 0.000 0.765 103 P CB 0.403 32.146 31.700 0.071 0.000 0.823 104 N N 3.198 121.966 118.700 0.113 0.000 2.399 104 N HA 0.040 4.781 4.740 0.002 0.000 0.259 104 N C 0.558 176.211 175.510 0.237 0.000 1.160 104 N CA 0.186 53.195 53.050 -0.068 0.000 0.946 104 N CB 0.018 38.143 38.487 -0.604 0.000 1.156 104 N HN 0.216 nan 8.380 nan 0.000 0.489 105 R N 1.906 122.544 120.500 0.229 0.000 2.317 105 R HA 0.106 4.448 4.340 0.002 0.000 0.208 105 R C 0.252 176.610 176.300 0.096 0.000 0.914 105 R CA 0.144 56.336 56.100 0.153 0.000 1.060 105 R CB 0.548 30.930 30.300 0.136 0.000 1.015 105 R HN 0.555 nan 8.270 nan 0.000 0.498 106 D N 1.180 121.659 120.400 0.131 0.000 2.183 106 D HA -0.020 4.621 4.640 0.002 0.000 0.205 106 D C 0.438 176.773 176.300 0.058 0.000 0.962 106 D CA 0.670 54.731 54.000 0.101 0.000 0.849 106 D CB 0.211 41.108 40.800 0.161 0.000 0.978 106 D HN 0.103 nan 8.370 nan 0.000 0.488 107 A N 1.614 124.446 122.820 0.020 0.000 2.279 107 A HA 0.118 4.440 4.320 0.002 0.000 0.306 107 A C -0.256 177.388 177.584 0.100 0.000 1.300 107 A CA -0.481 51.548 52.037 -0.013 0.000 0.925 107 A CB 0.463 19.268 19.000 -0.325 0.000 1.152 107 A HN -0.140 nan 8.150 nan 0.000 0.544 108 D N 4.111 124.618 120.400 0.179 0.000 3.304 108 D HA -0.053 4.589 4.640 0.002 0.000 0.241 108 D C -1.414 174.876 176.300 -0.016 0.000 1.310 108 D CA -0.637 53.416 54.000 0.088 0.000 0.884 108 D CB 0.575 41.444 40.800 0.116 0.000 1.167 108 D HN 0.226 nan 8.370 nan 0.000 0.598 109 P HA -0.148 nan 4.420 nan 0.000 0.216 109 P C 0.671 177.777 177.300 -0.325 0.000 1.150 109 P CA 1.279 63.808 63.100 -0.951 0.000 0.843 109 P CB 0.062 30.924 31.700 -1.397 0.000 0.787 110 H N -1.495 117.445 119.070 -0.216 0.000 2.521 110 H HA -0.028 4.529 4.556 0.002 0.000 0.286 110 H C 2.019 177.323 175.328 -0.040 0.000 1.034 110 H CA 1.167 57.100 56.048 -0.191 0.000 1.278 110 H CB -0.064 29.456 29.762 -0.402 0.000 1.386 110 H HN 0.120 nan 8.280 nan 0.000 0.567 111 K N -0.305 120.102 120.400 0.012 0.000 2.128 111 K HA -0.059 4.262 4.320 0.002 0.000 0.202 111 K C 0.707 177.189 176.600 -0.197 0.000 1.050 111 K CA 0.837 57.028 56.287 -0.159 0.000 0.966 111 K CB 0.255 32.539 32.500 -0.361 0.000 0.759 111 K HN 0.244 nan 8.250 nan 0.000 0.454 112 Y N -1.126 119.297 120.300 0.206 0.000 2.497 112 Y HA 0.131 4.682 4.550 0.002 0.000 0.265 112 Y C 0.215 176.516 175.900 0.667 0.000 1.111 112 Y CA -0.412 57.917 58.100 0.383 0.000 1.288 112 Y CB 0.405 39.076 38.460 0.353 0.000 1.082 112 Y HN 0.036 nan 8.280 nan 0.000 0.536 113 W N 0.761 122.288 121.300 0.378 0.000 2.578 113 W HA 0.584 5.245 4.660 0.002 0.000 0.364 113 W C -0.420 176.214 176.519 0.191 0.000 1.144 113 W CA -1.830 55.694 57.345 0.297 0.000 1.242 113 W CB 0.356 29.956 29.460 0.234 0.000 1.382 113 W HN -0.286 nan 8.180 nan 0.000 0.625 114 E N 0.457 120.823 120.200 0.277 0.000 2.263 114 E HA 0.375 4.726 4.350 0.002 0.000 0.268 114 E C -1.470 175.106 176.600 -0.041 0.000 0.884 114 E CA -0.716 55.763 56.400 0.131 0.000 0.766 114 E CB 2.757 32.486 29.700 0.049 0.000 1.196 114 E HN -0.011 nan 8.360 nan 0.000 0.416 115 V N 3.564 123.399 119.914 -0.132 0.000 2.432 115 V HA 0.285 4.406 4.120 0.002 0.000 0.275 115 V C -0.162 175.947 176.094 0.026 0.000 1.043 115 V CA -0.496 61.692 62.300 -0.187 0.000 0.925 115 V CB 1.368 32.918 31.823 -0.454 0.000 0.985 115 V HN 0.390 nan 8.190 nan 0.000 0.466 116 V N 3.707 123.653 119.914 0.052 0.000 2.540 116 V HA 0.355 4.476 4.120 0.002 0.000 0.302 116 V C -0.255 175.885 176.094 0.076 0.000 1.035 116 V CA -0.737 61.601 62.300 0.063 0.000 0.873 116 V CB 2.097 33.918 31.823 -0.002 0.000 0.992 116 V HN 0.881 nan 8.190 nan 0.000 0.428 117 D N 4.316 124.741 120.400 0.041 0.000 2.374 117 D HA 0.142 4.783 4.640 0.002 0.000 0.240 117 D C 1.207 177.387 176.300 -0.200 0.000 1.229 117 D CA -0.244 53.612 54.000 -0.241 0.000 0.895 117 D CB 0.816 41.588 40.800 -0.047 0.000 1.046 117 D HN 0.315 nan 8.370 nan 0.000 0.498 118 R N 2.234 122.588 120.500 -0.243 0.000 2.189 118 R HA -0.043 4.298 4.340 0.002 0.000 0.223 118 R C 1.584 177.783 176.300 -0.169 0.000 1.092 118 R CA 0.654 56.661 56.100 -0.155 0.000 0.989 118 R CB -0.502 29.726 30.300 -0.119 0.000 0.876 118 R HN 0.445 nan 8.270 nan 0.000 0.457 119 T N 0.227 114.630 114.554 -0.252 0.000 2.821 119 T HA -0.098 4.253 4.350 0.002 0.000 0.267 119 T C 1.832 176.389 174.700 -0.239 0.000 1.046 119 T CA 1.992 63.911 62.100 -0.300 0.000 1.139 119 T CB -0.085 68.443 68.868 -0.566 0.000 0.871 119 T HN 0.485 nan 8.240 nan 0.000 0.454 120 T N -1.988 112.465 114.554 -0.168 0.000 3.014 120 T HA 0.438 4.790 4.350 0.002 0.000 0.250 120 T C 1.891 176.567 174.700 -0.041 0.000 1.060 120 T CA 0.869 62.926 62.100 -0.071 0.000 1.040 120 T CB 0.143 69.023 68.868 0.021 0.000 0.971 120 T HN 0.478 nan 8.240 nan 0.000 0.497 121 G N 1.329 110.098 108.800 -0.051 0.000 2.179 121 G HA2 -0.215 3.746 3.960 0.002 0.000 0.260 121 G HA3 -0.215 3.746 3.960 0.002 0.000 0.260 121 G C -0.106 174.791 174.900 -0.004 0.000 0.977 121 G CA 0.110 45.190 45.100 -0.033 0.000 0.641 121 G HN 0.593 nan 8.290 nan 0.000 0.533 122 E N 0.138 120.350 120.200 0.021 0.000 2.366 122 E HA 0.446 4.797 4.350 0.002 0.000 0.266 122 E C 0.551 177.194 176.600 0.072 0.000 1.051 122 E CA -0.468 55.963 56.400 0.052 0.000 0.884 122 E CB 1.786 31.532 29.700 0.076 0.000 1.006 122 E HN 0.146 nan 8.360 nan 0.000 0.417 123 V N 3.127 123.088 119.914 0.079 0.000 2.488 123 V HA 0.027 4.148 4.120 0.002 0.000 0.277 123 V C 0.404 176.591 176.094 0.154 0.000 1.046 123 V CA -0.472 61.892 62.300 0.107 0.000 0.986 123 V CB 1.288 33.170 31.823 0.098 0.000 0.989 123 V HN 0.364 nan 8.190 nan 0.000 0.475 124 V N 4.649 124.682 119.914 0.199 0.000 2.585 124 V HA 0.023 4.144 4.120 0.002 0.000 0.296 124 V C 0.541 176.817 176.094 0.303 0.000 1.035 124 V CA -0.167 62.281 62.300 0.246 0.000 1.084 124 V CB 0.945 32.928 31.823 0.267 0.000 0.953 124 V HN 1.000 nan 8.190 nan 0.000 0.483 125 D N 3.536 124.073 120.400 0.229 0.000 2.472 125 D HA 0.025 4.666 4.640 0.002 0.000 0.237 125 D C 1.337 177.764 176.300 0.211 0.000 1.141 125 D CA 0.554 54.667 54.000 0.187 0.000 0.875 125 D CB 1.022 41.881 40.800 0.099 0.000 1.192 125 D HN 0.582 nan 8.370 nan 0.000 0.450 126 S N 2.507 118.281 115.700 0.123 0.000 2.400 126 S HA -0.307 4.164 4.470 0.002 0.000 0.234 126 S C 1.889 176.308 174.600 -0.301 0.000 1.049 126 S CA 1.342 59.463 58.200 -0.132 0.000 1.039 126 S CB -0.339 62.798 63.200 -0.105 0.000 0.856 126 S HN 0.670 nan 8.310 nan 0.000 0.465 127 A N 1.279 124.006 122.820 -0.154 0.000 2.119 127 A HA 0.006 4.327 4.320 0.002 0.000 0.217 127 A C 1.600 179.144 177.584 -0.067 0.000 1.153 127 A CA 0.923 52.868 52.037 -0.154 0.000 0.692 127 A CB -0.494 18.447 19.000 -0.098 0.000 0.799 127 A HN 0.645 nan 8.150 nan 0.000 0.458 128 N N -0.572 118.144 118.700 0.028 0.000 2.322 128 N HA 0.122 4.864 4.740 0.002 0.000 0.194 128 N C -0.208 175.456 175.510 0.257 0.000 1.126 128 N CA -0.107 53.014 53.050 0.118 0.000 0.845 128 N CB 0.225 38.794 38.487 0.137 0.000 0.976 128 N HN 0.828 nan 8.380 nan 0.000 0.475 129 W N 0.372 121.744 121.300 0.121 0.000 3.118 129 W HA 0.511 5.172 4.660 0.002 0.000 0.328 129 W C -1.295 175.365 176.519 0.235 0.000 1.239 129 W CA -0.893 56.535 57.345 0.139 0.000 1.176 129 W CB 0.542 30.062 29.460 0.101 0.000 1.433 129 W HN -0.251 nan 8.180 nan 0.000 0.562 130 T N 0.101 114.958 114.554 0.505 0.000 2.900 130 T HA 0.534 4.885 4.350 0.002 0.000 0.303 130 T C -1.554 173.399 174.700 0.421 0.000 1.142 130 T CA -0.799 61.513 62.100 0.354 0.000 1.007 130 T CB 2.307 71.311 68.868 0.228 0.000 1.156 130 T HN 0.593 nan 8.240 nan 0.000 0.490 131 L N 2.376 123.778 121.223 0.298 0.000 2.276 131 L HA 0.432 4.773 4.340 0.002 0.000 0.286 131 L C 0.205 177.174 176.870 0.165 0.000 1.061 131 L CA -0.147 54.819 54.840 0.211 0.000 0.807 131 L CB 0.615 42.750 42.059 0.126 0.000 1.177 131 L HN 0.834 nan 8.230 nan 0.000 0.429 132 D N 3.708 124.186 120.400 0.130 0.000 2.493 132 D HA -0.027 4.614 4.640 0.002 0.000 0.240 132 D C 0.827 177.196 176.300 0.114 0.000 1.142 132 D CA 0.712 54.821 54.000 0.180 0.000 0.872 132 D CB 1.711 42.608 40.800 0.163 0.000 1.173 132 D HN 0.838 nan 8.370 nan 0.000 0.467 133 A N 4.167 127.049 122.820 0.104 0.000 2.015 133 A HA -0.153 4.168 4.320 0.002 0.000 0.219 133 A C 1.442 179.063 177.584 0.061 0.000 1.163 133 A CA 1.206 53.285 52.037 0.069 0.000 0.646 133 A CB 0.176 19.207 19.000 0.053 0.000 0.806 133 A HN 0.615 nan 8.150 nan 0.000 0.448 134 D N -1.022 119.418 120.400 0.067 0.000 2.454 134 D HA 0.082 4.723 4.640 0.002 0.000 0.219 134 D C 0.585 176.916 176.300 0.051 0.000 1.081 134 D CA 0.573 54.605 54.000 0.054 0.000 0.867 134 D CB 0.283 41.113 40.800 0.050 0.000 1.054 134 D HN 0.847 nan 8.370 nan 0.000 0.500 135 E N 0.468 120.701 120.200 0.056 0.000 2.336 135 E HA 0.298 4.649 4.350 0.002 0.000 0.267 135 E C -1.087 175.523 176.600 0.017 0.000 0.906 135 E CA -0.737 55.686 56.400 0.038 0.000 0.781 135 E CB 1.559 31.283 29.700 0.040 0.000 1.261 135 E HN -0.370 nan 8.360 nan 0.000 0.436 136 D N 1.925 122.324 120.400 -0.001 0.000 2.688 136 D HA 0.174 4.815 4.640 0.002 0.000 0.228 136 D C -0.881 175.363 176.300 -0.093 0.000 1.116 136 D CA 0.309 54.284 54.000 -0.043 0.000 1.023 136 D CB 0.120 40.889 40.800 -0.051 0.000 1.100 136 D HN 0.275 nan 8.370 nan 0.000 0.487 137 T N -0.334 114.156 114.554 -0.106 0.000 2.886 137 T HA 0.345 4.696 4.350 0.002 0.000 0.292 137 T C -0.040 174.495 174.700 -0.275 0.000 1.012 137 T CA -0.577 61.404 62.100 -0.198 0.000 0.982 137 T CB 2.490 71.218 68.868 -0.233 0.000 1.018 137 T HN -0.190 nan 8.240 nan 0.000 0.451 138 V N 4.319 124.091 119.914 -0.236 0.000 2.394 138 V HA 0.322 4.443 4.120 0.002 0.000 0.282 138 V C -0.264 175.710 176.094 -0.200 0.000 1.031 138 V CA -0.829 61.386 62.300 -0.143 0.000 0.881 138 V CB 0.874 32.639 31.823 -0.096 0.000 0.982 138 V HN 0.821 nan 8.190 nan 0.000 0.451 139 H N 3.972 123.119 119.070 0.128 0.000 2.652 139 H HA 0.470 5.027 4.556 0.002 0.000 0.298 139 H C -0.486 174.914 175.328 0.121 0.000 1.076 139 H CA -0.250 55.851 56.048 0.089 0.000 1.360 139 H CB 1.599 31.409 29.762 0.080 0.000 1.421 139 H HN 0.379 nan 8.280 nan 0.000 0.464 140 V N 3.201 123.194 119.914 0.132 0.000 2.513 140 V HA 0.438 4.559 4.120 0.002 0.000 0.299 140 V C 0.274 176.370 176.094 0.003 0.000 1.035 140 V CA -0.737 61.606 62.300 0.072 0.000 0.889 140 V CB 1.674 33.442 31.823 -0.093 0.000 0.988 140 V HN 0.899 nan 8.190 nan 0.000 0.440 141 S N 1.326 117.036 115.700 0.017 0.000 2.627 141 S HA 0.811 5.282 4.470 0.002 0.000 0.283 141 S C 0.486 175.072 174.600 -0.024 0.000 1.127 141 S CA -0.110 58.078 58.200 -0.020 0.000 0.863 141 S CB 1.746 64.950 63.200 0.006 0.000 1.121 141 S HN 2.333 nan 8.310 nan 0.000 0.479 142 G N -0.380 108.397 108.800 -0.038 0.000 2.176 142 G HA2 -0.156 3.805 3.960 0.002 0.000 0.252 142 G HA3 -0.156 3.805 3.960 0.002 0.000 0.252 142 G C 0.111 174.992 174.900 -0.033 0.000 1.024 142 G CA 0.398 45.484 45.100 -0.024 0.000 0.755 142 G HN 1.919 nan 8.290 nan 0.000 0.507 143 V N -3.246 116.616 119.914 -0.087 0.000 3.267 143 V HA 0.983 5.105 4.120 0.002 0.000 0.317 143 V C 0.659 176.702 176.094 -0.086 0.000 1.131 143 V CA -0.687 61.560 62.300 -0.087 0.000 1.031 143 V CB 1.676 33.323 31.823 -0.293 0.000 1.159 143 V HN 1.704 nan 8.190 nan 0.000 0.454 144 A N 0.854 123.638 122.820 -0.061 0.000 2.289 144 A HA 0.831 5.153 4.320 0.002 0.000 0.298 144 A C 0.538 177.990 177.584 -0.219 0.000 1.208 144 A CA -0.024 51.869 52.037 -0.240 0.000 0.845 144 A CB 0.090 18.707 19.000 -0.638 0.000 1.125 144 A HN 2.080 nan 8.150 nan 0.000 0.517 145 A N 1.638 124.329 122.820 -0.215 0.000 2.483 145 A HA 0.411 4.732 4.320 0.002 0.000 0.238 145 A C 0.209 177.674 177.584 -0.198 0.000 1.070 145 A CA 0.763 52.556 52.037 -0.406 0.000 0.770 145 A CB -0.857 17.794 19.000 -0.582 0.000 1.008 145 A HN 1.687 nan 8.150 nan 0.000 0.497 146 W N -1.573 119.825 121.300 0.163 0.000 2.829 146 W HA -0.189 4.472 4.660 0.002 0.000 0.293 146 W C 0.357 177.053 176.519 0.295 0.000 1.133 146 W CA 0.821 58.281 57.345 0.192 0.000 0.572 146 W CB -2.347 27.201 29.460 0.147 0.000 2.175 146 W HN 0.873 nan 8.180 nan 0.000 1.311 147 H N 0.152 119.316 119.070 0.157 0.000 2.525 147 H HA 0.460 5.018 4.556 0.002 0.000 0.340 147 H C 0.243 175.513 175.328 -0.097 0.000 1.168 147 H CA -1.000 55.034 56.048 -0.024 0.000 1.247 147 H CB 1.300 30.954 29.762 -0.179 0.000 1.568 147 H HN -0.068 nan 8.280 nan 0.000 0.536 148 E N 1.425 121.541 120.200 -0.140 0.000 2.191 148 E HA 0.234 4.585 4.350 0.002 0.000 0.278 148 E C -1.245 175.152 176.600 -0.338 0.000 0.972 148 E CA -0.429 55.909 56.400 -0.104 0.000 0.804 148 E CB 1.423 31.089 29.700 -0.057 0.000 1.110 148 E HN 0.374 nan 8.360 nan 0.000 0.394 149 Y N 0.202 120.523 120.300 0.035 0.000 2.499 149 Y HA 0.399 4.950 4.550 0.002 0.000 0.347 149 Y C 0.347 176.244 175.900 -0.005 0.000 0.987 149 Y CA -0.713 57.395 58.100 0.014 0.000 1.044 149 Y CB 2.319 40.783 38.460 0.006 0.000 1.245 149 Y HN 0.440 nan 8.280 nan 0.000 0.461 150 T N -1.425 113.203 114.554 0.123 0.000 2.896 150 T HA 0.792 5.144 4.350 0.002 0.000 0.297 150 T C -1.412 173.297 174.700 0.015 0.000 1.108 150 T CA -0.899 61.236 62.100 0.059 0.000 1.004 150 T CB 1.393 70.277 68.868 0.027 0.000 1.159 150 T HN 0.329 nan 8.240 nan 0.000 0.499 151 V N 1.653 121.572 119.914 0.008 0.000 2.513 151 V HA 0.603 4.725 4.120 0.002 0.000 0.299 151 V C -0.040 176.079 176.094 0.043 0.000 1.035 151 V CA -0.829 61.446 62.300 -0.042 0.000 0.889 151 V CB 1.870 33.628 31.823 -0.109 0.000 0.988 151 V HN 1.075 nan 8.190 nan 0.000 0.440 152 S N 5.470 121.156 115.700 -0.024 0.000 2.420 152 S HA 0.711 5.182 4.470 0.002 0.000 0.313 152 S C -0.585 173.959 174.600 -0.094 0.000 1.079 152 S CA -0.455 57.704 58.200 -0.069 0.000 1.104 152 S CB 0.178 63.291 63.200 -0.144 0.000 0.969 152 S HN 0.613 nan 8.310 nan 0.000 0.471 153 F N 0.752 120.422 119.950 -0.466 0.000 2.561 153 F HA 0.722 5.250 4.527 0.002 0.000 0.321 153 F C -0.851 174.499 175.800 -0.750 0.000 1.065 153 F CA -1.600 55.677 58.000 -1.206 0.000 0.934 153 F CB 0.723 38.520 39.000 -2.006 0.000 1.215 153 F HN 0.206 nan 8.300 nan 0.000 0.471 154 L N 3.017 123.819 121.223 -0.701 0.000 2.367 154 L HA 0.602 4.943 4.340 0.002 0.000 0.275 154 L C 0.112 176.735 176.870 -0.410 0.000 1.129 154 L CA -0.532 53.936 54.840 -0.621 0.000 0.839 154 L CB 1.077 42.871 42.059 -0.441 0.000 1.133 154 L HN 0.950 nan 8.230 nan 0.000 0.453 155 A N 3.684 126.208 122.820 -0.493 0.000 2.355 155 A HA 0.629 4.950 4.320 0.002 0.000 0.317 155 A C -1.267 176.162 177.584 -0.258 0.000 1.094 155 A CA -0.516 51.345 52.037 -0.293 0.000 0.764 155 A CB 0.721 19.529 19.000 -0.319 0.000 1.230 155 A HN 0.500 nan 8.150 nan 0.000 0.448 156 Y N 1.185 121.457 120.300 -0.045 0.000 2.346 156 Y HA 0.340 4.891 4.550 0.002 0.000 0.330 156 Y C 0.522 176.408 175.900 -0.023 0.000 1.178 156 Y CA 0.158 58.243 58.100 -0.025 0.000 1.331 156 Y CB 0.584 39.048 38.460 0.007 0.000 1.253 156 Y HN 0.447 nan 8.280 nan 0.000 0.529 157 I N 5.539 126.211 120.570 0.170 0.000 2.291 157 I HA 0.134 4.305 4.170 0.002 0.000 0.292 157 I C 0.918 177.115 176.117 0.134 0.000 1.064 157 I CA 0.009 61.373 61.300 0.106 0.000 1.269 157 I CB 0.472 38.514 38.000 0.070 0.000 1.418 157 I HN 0.661 nan 8.210 nan 0.000 0.485 158 I N 2.814 123.461 120.570 0.128 0.000 3.956 158 I HA 0.284 4.455 4.170 0.002 0.000 0.333 158 I C -0.234 175.989 176.117 0.178 0.000 1.302 158 I CA 0.058 61.425 61.300 0.112 0.000 1.122 158 I CB 0.347 38.379 38.000 0.053 0.000 1.013 158 I HN 0.450 nan 8.210 nan 0.000 0.405 159 W N 3.028 124.303 121.300 -0.041 0.000 2.968 159 W HA 0.378 5.040 4.660 0.002 0.000 0.337 159 W C -1.035 175.435 176.519 -0.082 0.000 1.060 159 W CA -1.884 55.420 57.345 -0.068 0.000 1.240 159 W CB 1.198 30.568 29.460 -0.151 0.000 1.370 159 W HN 0.024 nan 8.180 nan 0.000 0.459 160 D N 6.643 127.202 120.400 0.264 0.000 2.531 160 D HA 0.011 4.652 4.640 0.002 0.000 0.239 160 D C -1.470 174.707 176.300 -0.205 0.000 1.144 160 D CA -0.080 53.925 54.000 0.009 0.000 0.869 160 D CB 1.718 42.524 40.800 0.011 0.000 1.160 160 D HN 0.036 nan 8.370 nan 0.000 0.484 161 P HA -0.135 nan 4.420 nan 0.000 0.217 161 P C 1.336 178.420 177.300 -0.360 0.000 1.150 161 P CA 0.441 63.338 63.100 -0.339 0.000 0.832 161 P CB 0.236 31.781 31.700 -0.259 0.000 0.787 162 V N 0.186 119.940 119.914 -0.267 0.000 2.379 162 V HA -0.186 3.935 4.120 0.002 0.000 0.245 162 V C 2.494 178.496 176.094 -0.154 0.000 1.044 162 V CA 1.634 63.823 62.300 -0.185 0.000 1.036 162 V CB -1.051 30.686 31.823 -0.144 0.000 0.664 162 V HN 0.159 nan 8.190 nan 0.000 0.453 163 E N 0.047 120.152 120.200 -0.159 0.000 2.118 163 E HA -0.267 4.085 4.350 0.002 0.000 0.195 163 E C 2.186 178.681 176.600 -0.174 0.000 0.992 163 E CA 1.849 58.222 56.400 -0.045 0.000 0.804 163 E CB -0.159 29.597 29.700 0.093 0.000 0.741 163 E HN 0.595 nan 8.360 nan 0.000 0.458 164 M N -0.319 118.883 119.600 -0.663 0.000 2.086 164 M HA -0.245 4.236 4.480 0.002 0.000 0.261 164 M C 2.340 178.146 176.300 -0.823 0.000 1.067 164 M CA 1.786 56.253 55.300 -1.389 0.000 1.116 164 M CB -0.477 30.906 32.600 -2.028 0.000 1.348 164 M HN 0.148 nan 8.290 nan 0.000 0.407 165 Y N 1.277 121.149 120.300 -0.715 0.000 2.114 165 Y HA -0.318 4.234 4.550 0.002 0.000 0.282 165 Y C 1.632 177.290 175.900 -0.403 0.000 1.165 165 Y CA 2.656 60.464 58.100 -0.487 0.000 1.148 165 Y CB -0.710 37.574 38.460 -0.293 0.000 0.972 165 Y HN 0.452 nan 8.280 nan 0.000 0.504 166 N N -1.399 117.044 118.700 -0.429 0.000 2.142 166 N HA -0.190 4.551 4.740 0.002 0.000 0.186 166 N C 1.724 176.530 175.510 -1.174 0.000 1.023 166 N CA 1.184 53.810 53.050 -0.705 0.000 0.852 166 N CB -0.411 37.796 38.487 -0.466 0.000 0.998 166 N HN 0.529 nan 8.380 nan 0.000 0.424 167 H N 0.685 119.165 119.070 -0.984 0.000 2.290 167 H HA -0.037 4.520 4.556 0.002 0.000 0.298 167 H C 1.857 176.901 175.328 -0.475 0.000 1.087 167 H CA 1.564 57.235 56.048 -0.628 0.000 1.291 167 H CB -0.059 29.801 29.762 0.164 0.000 1.369 167 H HN 0.094 nan 8.280 nan 0.000 0.492 168 L N -0.612 120.491 121.223 -0.201 0.000 2.046 168 L HA -0.167 4.174 4.340 0.002 0.000 0.208 168 L C 2.541 179.238 176.870 -0.289 0.000 1.077 168 L CA 1.644 56.386 54.840 -0.164 0.000 0.747 168 L CB -0.507 41.424 42.059 -0.215 0.000 0.896 168 L HN 0.372 nan 8.230 nan 0.000 0.432 169 T N -0.765 113.476 114.554 -0.522 0.000 2.857 169 T HA -0.109 4.242 4.350 0.002 0.000 0.266 169 T C 1.299 175.797 174.700 -0.336 0.000 1.048 169 T CA 1.409 63.214 62.100 -0.491 0.000 1.139 169 T CB -0.275 68.118 68.868 -0.793 0.000 0.874 169 T HN 0.403 nan 8.240 nan 0.000 0.455 170 N N 0.746 119.161 118.700 -0.474 0.000 2.235 170 N HA 0.136 4.878 4.740 0.002 0.000 0.209 170 N C -0.357 175.030 175.510 -0.206 0.000 1.122 170 N CA -0.066 52.794 53.050 -0.317 0.000 0.845 170 N CB 0.353 38.581 38.487 -0.431 0.000 1.004 170 N HN 0.124 nan 8.380 nan 0.000 0.499 171 D N -0.580 119.708 120.400 -0.186 0.000 2.689 171 D HA -0.182 4.460 4.640 0.002 0.000 0.237 171 D C -0.389 175.954 176.300 0.070 0.000 1.148 171 D CA 0.263 54.252 54.000 -0.018 0.000 0.656 171 D CB -0.939 39.877 40.800 0.026 0.000 1.050 171 D HN 0.333 nan 8.370 nan 0.000 0.426 172 W N 0.751 121.885 121.300 -0.277 0.000 2.961 172 W HA 0.332 4.994 4.660 0.002 0.000 0.240 172 W C 2.127 178.454 176.519 -0.320 0.000 1.305 172 W CA 0.693 57.780 57.345 -0.431 0.000 1.465 172 W CB -0.964 28.070 29.460 -0.709 0.000 1.135 172 W HN 0.514 nan 8.180 nan 0.000 0.688 173 G N 2.363 111.236 108.800 0.122 0.000 2.672 173 G HA2 -0.467 3.495 3.960 0.002 0.000 0.332 173 G HA3 -0.467 3.495 3.960 0.002 0.000 0.332 173 G C 0.935 176.061 174.900 0.376 0.000 1.213 173 G CA 1.353 46.608 45.100 0.259 0.000 0.980 173 G HN 0.301 nan 8.290 nan 0.000 0.548 174 D N 1.748 122.284 120.400 0.227 0.000 2.340 174 D HA 0.063 4.704 4.640 0.002 0.000 0.220 174 D C 1.022 177.430 176.300 0.180 0.000 1.039 174 D CA 0.802 54.909 54.000 0.178 0.000 0.866 174 D CB -0.173 40.678 40.800 0.085 0.000 0.913 174 D HN 0.688 nan 8.370 nan 0.000 0.523 175 K N 1.541 122.095 120.400 0.256 0.000 2.511 175 K HA -0.093 4.228 4.320 0.002 0.000 0.280 175 K C 0.213 176.983 176.600 0.283 0.000 1.008 175 K CA -0.194 56.221 56.287 0.214 0.000 1.050 175 K CB 0.441 33.031 32.500 0.151 0.000 0.889 175 K HN 0.045 nan 8.250 nan 0.000 0.484 176 E N 3.143 123.407 120.200 0.106 0.000 2.502 176 E HA -0.110 4.241 4.350 0.002 0.000 0.261 176 E C -0.782 175.890 176.600 0.119 0.000 0.974 176 E CA 0.351 56.759 56.400 0.014 0.000 0.936 176 E CB 0.334 30.027 29.700 -0.011 0.000 0.926 176 E HN 0.527 nan 8.360 nan 0.000 0.459 177 H N 3.531 122.440 119.070 -0.269 0.000 2.646 177 H HA 0.115 4.672 4.556 0.002 0.000 0.325 177 H C -0.287 174.908 175.328 -0.222 0.000 1.075 177 H CA -0.661 55.072 56.048 -0.525 0.000 1.421 177 H CB 0.739 29.630 29.762 -1.450 0.000 1.461 177 H HN 0.442 nan 8.280 nan 0.000 0.525 178 E N 3.940 124.248 120.200 0.180 0.000 2.223 178 E HA 0.133 4.484 4.350 0.002 0.000 0.282 178 E C -0.162 176.566 176.600 0.212 0.000 1.046 178 E CA -0.245 56.265 56.400 0.183 0.000 0.857 178 E CB 1.346 31.153 29.700 0.177 0.000 1.055 178 E HN 0.410 nan 8.360 nan 0.000 0.409 179 I N 6.013 126.680 120.570 0.163 0.000 2.371 179 I HA 0.172 4.343 4.170 0.002 0.000 0.290 179 I C -1.908 174.328 176.117 0.198 0.000 1.028 179 I CA -2.031 59.373 61.300 0.173 0.000 1.345 179 I CB 0.704 38.789 38.000 0.141 0.000 1.407 179 I HN 0.226 nan 8.210 nan 0.000 0.501 180 P HA 0.369 nan 4.420 nan 0.000 0.278 180 P C -1.206 176.146 177.300 0.087 0.000 1.258 180 P CA -0.210 62.858 63.100 -0.053 0.000 0.811 180 P CB 0.895 32.577 31.700 -0.030 0.000 1.063 181 F N -1.835 118.228 119.950 0.189 0.000 2.613 181 F HA 0.642 5.170 4.527 0.002 0.000 0.314 181 F C -0.722 175.204 175.800 0.211 0.000 1.075 181 F CA -1.275 56.859 58.000 0.224 0.000 0.945 181 F CB 1.062 40.242 39.000 0.300 0.000 1.310 181 F HN 0.049 nan 8.300 nan 0.000 0.467 182 D N 2.050 122.737 120.400 0.478 0.000 2.440 182 D HA 0.288 4.929 4.640 0.002 0.000 0.239 182 D C 0.646 177.174 176.300 0.380 0.000 1.084 182 D CA -0.598 53.617 54.000 0.359 0.000 0.843 182 D CB 1.315 42.378 40.800 0.438 0.000 1.097 182 D HN 0.709 nan 8.370 nan 0.000 0.531 183 I N 1.456 122.164 120.570 0.230 0.000 3.334 183 I HA -0.014 4.157 4.170 0.002 0.000 0.282 183 I C 1.176 177.464 176.117 0.285 0.000 1.313 183 I CA 0.144 61.559 61.300 0.192 0.000 1.396 183 I CB -0.389 37.556 38.000 -0.092 0.000 1.054 183 I HN 0.260 nan 8.210 nan 0.000 0.495 184 Y N 1.968 122.288 120.300 0.033 0.000 2.333 184 Y HA -0.083 4.468 4.550 0.002 0.000 0.290 184 Y C 1.393 177.168 175.900 -0.209 0.000 1.144 184 Y CA 0.949 58.857 58.100 -0.320 0.000 1.228 184 Y CB -0.145 37.990 38.460 -0.541 0.000 0.985 184 Y HN 0.302 nan 8.280 nan 0.000 0.542 185 H N 1.666 120.842 119.070 0.177 0.000 2.690 185 H HA 0.087 4.644 4.556 0.002 0.000 0.314 185 H C -1.500 173.896 175.328 0.114 0.000 1.069 185 H CA -1.851 54.283 56.048 0.144 0.000 1.436 185 H CB 0.853 30.739 29.762 0.207 0.000 1.462 185 H HN 0.157 nan 8.280 nan 0.000 0.511 186 P HA -0.153 nan 4.420 nan 0.000 0.216 186 P C 1.262 178.655 177.300 0.154 0.000 1.150 186 P CA 1.343 64.518 63.100 0.126 0.000 0.837 186 P CB 0.221 31.977 31.700 0.093 0.000 0.786 187 A N -0.140 122.806 122.820 0.211 0.000 1.898 187 A HA -0.127 4.195 4.320 0.002 0.000 0.216 187 A C 2.388 180.094 177.584 0.202 0.000 1.181 187 A CA 2.340 54.525 52.037 0.246 0.000 0.620 187 A CB -1.882 17.306 19.000 0.313 0.000 0.819 187 A HN 0.173 nan 8.150 nan 0.000 0.442 188 T N -0.907 113.829 114.554 0.305 0.000 2.821 188 T HA -0.119 4.232 4.350 0.002 0.000 0.267 188 T C 2.061 176.752 174.700 -0.014 0.000 1.046 188 T CA 1.497 63.681 62.100 0.141 0.000 1.139 188 T CB -0.202 68.910 68.868 0.406 0.000 0.871 188 T HN 0.558 nan 8.240 nan 0.000 0.454 189 R N 1.095 121.640 120.500 0.075 0.000 2.073 189 R HA -0.067 4.274 4.340 0.002 0.000 0.234 189 R C 2.466 178.788 176.300 0.037 0.000 1.134 189 R CA 1.648 57.766 56.100 0.029 0.000 0.952 189 R CB -0.132 30.238 30.300 0.117 0.000 0.850 189 R HN 0.242 nan 8.270 nan 0.000 0.433 190 K N -0.481 119.953 120.400 0.056 0.000 2.057 190 K HA -0.200 4.121 4.320 0.002 0.000 0.207 190 K C 1.942 178.496 176.600 -0.076 0.000 1.049 190 K CA 1.689 58.008 56.287 0.054 0.000 0.931 190 K CB -0.297 32.230 32.500 0.045 0.000 0.714 190 K HN 0.187 nan 8.250 nan 0.000 0.440 191 F N 0.959 120.627 119.950 -0.469 0.000 2.126 191 F HA -0.211 4.317 4.527 0.002 0.000 0.299 191 F C 1.730 177.231 175.800 -0.499 0.000 1.096 191 F CA 1.246 58.803 58.000 -0.738 0.000 1.255 191 F CB -0.309 37.618 39.000 -1.788 0.000 0.997 191 F HN -0.194 nan 8.300 nan 0.000 0.479 192 V N 0.021 119.664 119.914 -0.450 0.000 2.295 192 V HA -0.298 3.824 4.120 0.002 0.000 0.246 192 V C 2.267 178.158 176.094 -0.339 0.000 1.049 192 V CA 2.130 64.187 62.300 -0.405 0.000 1.024 192 V CB -0.822 30.848 31.823 -0.255 0.000 0.648 192 V HN 0.296 nan 8.190 nan 0.000 0.447 193 F N 0.508 120.402 119.950 -0.094 0.000 2.146 193 F HA -0.112 4.416 4.527 0.002 0.000 0.298 193 F C 2.305 178.080 175.800 -0.041 0.000 1.096 193 F CA 1.470 59.463 58.000 -0.011 0.000 1.275 193 F CB -0.850 38.133 39.000 -0.029 0.000 1.008 193 F HN 0.207 nan 8.300 nan 0.000 0.480 194 D N -0.433 119.982 120.400 0.024 0.000 2.123 194 D HA -0.144 4.497 4.640 0.002 0.000 0.196 194 D C 2.269 178.499 176.300 -0.116 0.000 0.992 194 D CA 1.932 55.898 54.000 -0.058 0.000 0.833 194 D CB -0.840 39.896 40.800 -0.107 0.000 0.954 194 D HN 0.197 nan 8.370 nan 0.000 0.455 195 T N 0.393 114.758 114.554 -0.314 0.000 2.746 195 T HA -0.144 4.207 4.350 0.002 0.000 0.267 195 T C 1.672 176.427 174.700 0.092 0.000 1.039 195 T CA 0.601 62.533 62.100 -0.280 0.000 1.142 195 T CB -0.370 68.043 68.868 -0.758 0.000 0.866 195 T HN 0.085 nan 8.240 nan 0.000 0.444 196 F N 1.965 121.906 119.950 -0.015 0.000 2.146 196 F HA 0.035 4.563 4.527 0.002 0.000 0.298 196 F C 2.386 178.259 175.800 0.122 0.000 1.096 196 F CA 1.136 59.168 58.000 0.054 0.000 1.275 196 F CB -0.456 38.522 39.000 -0.036 0.000 1.008 196 F HN 0.174 nan 8.300 nan 0.000 0.480 197 E N -0.264 119.951 120.200 0.025 0.000 2.070 197 E HA -0.368 3.983 4.350 0.002 0.000 0.197 197 E C 2.209 178.765 176.600 -0.074 0.000 1.004 197 E CA 1.754 58.110 56.400 -0.073 0.000 0.805 197 E CB -0.285 29.416 29.700 0.002 0.000 0.744 197 E HN 0.440 nan 8.360 nan 0.000 0.451 198 Q N -0.155 119.645 119.800 -0.001 0.000 2.119 198 Q HA -0.162 4.179 4.340 0.002 0.000 0.201 198 Q C 1.621 177.656 176.000 0.058 0.000 0.972 198 Q CA 1.947 57.761 55.803 0.019 0.000 0.847 198 Q CB -0.671 28.088 28.738 0.034 0.000 0.903 198 Q HN 0.527 nan 8.270 nan 0.000 0.433 199 W N 0.012 121.273 121.300 -0.065 0.000 2.358 199 W HA -0.134 4.527 4.660 0.002 0.000 0.303 199 W C 1.358 177.793 176.519 -0.141 0.000 1.208 199 W CA 1.447 58.781 57.345 -0.019 0.000 1.274 199 W CB -0.151 29.414 29.460 0.174 0.000 1.138 199 W HN 0.196 nan 8.180 nan 0.000 0.515 200 L N 0.737 121.895 121.223 -0.108 0.000 1.989 200 L HA -0.277 4.065 4.340 0.002 0.000 0.211 200 L C 2.590 179.294 176.870 -0.276 0.000 1.071 200 L CA 1.907 56.569 54.840 -0.295 0.000 0.749 200 L CB -1.040 40.790 42.059 -0.382 0.000 0.890 200 L HN -0.102 nan 8.230 nan 0.000 0.431 201 K N -0.118 120.168 120.400 -0.189 0.000 2.089 201 K HA -0.219 4.103 4.320 0.002 0.000 0.210 201 K C 1.359 177.856 176.600 -0.171 0.000 1.048 201 K CA 1.761 57.961 56.287 -0.145 0.000 0.926 201 K CB -0.243 32.202 32.500 -0.092 0.000 0.714 201 K HN 0.337 nan 8.250 nan 0.000 0.448 202 D N -0.195 120.080 120.400 -0.209 0.000 2.340 202 D HA 0.012 4.653 4.640 0.002 0.000 0.220 202 D C -0.131 175.958 176.300 -0.351 0.000 1.039 202 D CA 0.550 54.417 54.000 -0.221 0.000 0.866 202 D CB 0.520 41.230 40.800 -0.151 0.000 0.913 202 D HN -0.075 nan 8.370 nan 0.000 0.523 203 S N 1.477 116.886 115.700 -0.485 0.000 2.139 203 S HA 0.162 4.633 4.470 0.002 0.000 0.183 203 S C -1.684 172.708 174.600 -0.348 0.000 1.473 203 S CA -0.893 56.969 58.200 -0.564 0.000 1.263 203 S CB 1.720 64.223 63.200 -1.162 0.000 1.170 203 S HN 0.109 nan 8.310 nan 0.000 0.430 204 P HA -0.101 nan 4.420 nan 0.000 0.221 204 P C 0.976 178.213 177.300 -0.105 0.000 1.150 204 P CA 0.970 63.985 63.100 -0.142 0.000 0.800 204 P CB 0.273 31.911 31.700 -0.103 0.000 0.787 205 Q N -0.513 119.226 119.800 -0.101 0.000 2.451 205 Q HA 0.059 4.400 4.340 0.002 0.000 0.206 205 Q C 0.294 176.274 176.000 -0.033 0.000 0.947 205 Q CA 0.641 56.412 55.803 -0.053 0.000 0.937 205 Q CB -0.350 28.366 28.738 -0.036 0.000 1.025 205 Q HN 0.223 nan 8.270 nan 0.000 0.511 206 T N 1.822 116.333 114.554 -0.071 0.000 2.814 206 T HA 0.064 4.415 4.350 0.002 0.000 0.297 206 T C 0.516 175.226 174.700 0.017 0.000 0.956 206 T CA -0.134 61.956 62.100 -0.017 0.000 1.123 206 T CB 0.822 69.649 68.868 -0.069 0.000 0.902 206 T HN 0.075 nan 8.240 nan 0.000 0.528 207 D N 1.796 122.235 120.400 0.065 0.000 2.324 207 D HA 0.103 4.744 4.640 0.002 0.000 0.212 207 D C 0.262 176.593 176.300 0.052 0.000 0.984 207 D CA 0.614 54.654 54.000 0.066 0.000 0.885 207 D CB 0.707 41.564 40.800 0.094 0.000 0.996 207 D HN 0.264 nan 8.370 nan 0.000 0.505 208 V N 2.101 122.024 119.914 0.015 0.000 2.482 208 V HA 0.195 4.316 4.120 0.002 0.000 0.295 208 V C -0.105 175.921 176.094 -0.113 0.000 1.026 208 V CA -0.783 61.441 62.300 -0.127 0.000 0.856 208 V CB 2.530 34.034 31.823 -0.532 0.000 1.001 208 V HN -0.223 nan 8.190 nan 0.000 0.424 209 V N 5.474 125.319 119.914 -0.116 0.000 2.389 209 V HA 0.328 4.450 4.120 0.002 0.000 0.264 209 V C 0.738 176.548 176.094 -0.472 0.000 1.049 209 V CA -0.348 61.779 62.300 -0.290 0.000 0.932 209 V CB 0.709 32.253 31.823 -0.466 0.000 1.011 209 V HN 0.803 nan 8.190 nan 0.000 0.475 210 R N 5.043 125.318 120.500 -0.375 0.000 2.593 210 R HA 0.281 4.623 4.340 0.002 0.000 0.282 210 R C -0.827 175.252 176.300 -0.369 0.000 1.300 210 R CA -0.522 55.411 56.100 -0.279 0.000 1.221 210 R CB -0.082 30.152 30.300 -0.109 0.000 1.157 210 R HN 0.517 nan 8.270 nan 0.000 0.555 211 F N 2.146 121.924 119.950 -0.286 0.000 2.519 211 F HA 0.053 4.581 4.527 0.002 0.000 0.375 211 F C 0.772 176.324 175.800 -0.414 0.000 1.084 211 F CA 0.633 58.340 58.000 -0.487 0.000 1.147 211 F CB 1.212 39.653 39.000 -0.932 0.000 1.088 211 F HN 0.264 nan 8.300 nan 0.000 0.555 212 T N 2.175 116.657 114.554 -0.120 0.000 3.466 212 T HA 0.288 4.639 4.350 0.002 0.000 0.297 212 T C 0.448 175.246 174.700 0.163 0.000 1.640 212 T CA -0.349 61.785 62.100 0.057 0.000 1.631 212 T CB 0.462 69.352 68.868 0.037 0.000 0.928 212 T HN 0.602 nan 8.240 nan 0.000 0.688 213 T N -0.130 114.444 114.554 0.034 0.000 2.206 213 T HA 0.531 4.882 4.350 0.002 0.000 0.168 213 T C -0.019 174.323 174.700 -0.596 0.000 0.753 213 T CA -0.071 61.910 62.100 -0.198 0.000 1.041 213 T CB 0.198 69.092 68.868 0.043 0.000 2.919 213 T HN 0.177 nan 8.240 nan 0.000 0.392 214 F N -0.607 119.201 119.950 -0.237 0.000 2.126 214 F HA 0.527 5.055 4.527 0.002 0.000 0.203 214 F C 1.180 176.597 175.800 -0.638 0.000 1.230 214 F CA -0.532 57.004 58.000 -0.773 0.000 1.271 214 F CB -0.212 38.117 39.000 -1.120 0.000 1.758 214 F HN 0.186 nan 8.300 nan 0.000 0.304 215 F N -1.924 118.083 119.950 0.095 0.000 2.653 215 F HA 0.265 4.793 4.527 0.002 0.000 0.288 215 F C -0.618 174.859 175.800 -0.538 0.000 1.121 215 F CA -0.603 57.252 58.000 -0.241 0.000 1.384 215 F CB -0.293 38.529 39.000 -0.297 0.000 1.115 215 F HN -0.114 nan 8.300 nan 0.000 0.599 216 Y N 0.609 121.057 120.300 0.245 0.000 2.346 216 Y HA 0.510 5.061 4.550 0.002 0.000 0.332 216 Y C -0.062 175.885 175.900 0.079 0.000 0.985 216 Y CA -1.847 56.344 58.100 0.152 0.000 1.112 216 Y CB 1.225 39.775 38.460 0.149 0.000 1.170 216 Y HN -0.221 nan 8.280 nan 0.000 0.447 217 Q N 3.752 123.651 119.800 0.166 0.000 2.314 217 Q HA 0.298 4.640 4.340 0.002 0.000 0.258 217 Q C -0.746 175.266 176.000 0.020 0.000 0.954 217 Q CA -0.562 55.250 55.803 0.016 0.000 0.890 217 Q CB 0.256 28.934 28.738 -0.101 0.000 1.210 217 Q HN 0.460 nan 8.270 nan 0.000 0.410 218 F N 0.746 120.748 119.950 0.087 0.000 2.553 218 F HA 0.300 4.828 4.527 0.002 0.000 0.356 218 F C 0.348 176.189 175.800 0.069 0.000 1.142 218 F CA -0.844 57.181 58.000 0.041 0.000 1.322 218 F CB -0.292 38.737 39.000 0.049 0.000 1.126 218 F HN 0.390 nan 8.300 nan 0.000 0.599 219 T N 4.829 119.557 114.554 0.291 0.000 2.750 219 T HA 0.246 4.597 4.350 0.002 0.000 0.277 219 T C -0.449 174.361 174.700 0.184 0.000 0.996 219 T CA 0.361 62.563 62.100 0.170 0.000 1.195 219 T CB -0.219 68.747 68.868 0.163 0.000 0.963 219 T HN 0.616 nan 8.240 nan 0.000 0.516 220 L N 6.023 127.269 121.223 0.040 0.000 2.617 220 L HA 0.475 4.817 4.340 0.002 0.000 0.259 220 L C -1.450 175.487 176.870 0.111 0.000 0.995 220 L CA -0.163 54.720 54.840 0.072 0.000 0.899 220 L CB 0.792 42.787 42.059 -0.106 0.000 1.181 220 L HN 0.561 nan 8.230 nan 0.000 0.437 221 L N 3.743 125.066 121.223 0.168 0.000 2.362 221 L HA 0.626 4.967 4.340 0.002 0.000 0.271 221 L C -0.842 176.267 176.870 0.399 0.000 1.002 221 L CA -0.571 54.404 54.840 0.226 0.000 0.818 221 L CB 1.927 44.044 42.059 0.097 0.000 1.298 221 L HN 0.266 nan 8.230 nan 0.000 0.420 222 F N 0.435 120.462 119.950 0.128 0.000 2.497 222 F HA 0.421 4.949 4.527 0.002 0.000 0.331 222 F C 0.352 176.260 175.800 0.180 0.000 1.060 222 F CA -0.960 57.105 58.000 0.108 0.000 0.989 222 F CB 1.482 40.527 39.000 0.076 0.000 1.245 222 F HN 0.539 nan 8.300 nan 0.000 0.486 223 D N -0.553 119.933 120.400 0.143 0.000 2.549 223 D HA 0.142 4.784 4.640 0.002 0.000 0.270 223 D C 0.707 177.077 176.300 0.117 0.000 1.181 223 D CA -0.423 53.625 54.000 0.080 0.000 1.070 223 D CB 0.166 40.918 40.800 -0.080 0.000 1.154 223 D HN 0.520 nan 8.370 nan 0.000 0.602 224 E N 0.091 120.346 120.200 0.091 0.000 2.409 224 E HA -0.191 4.160 4.350 0.002 0.000 0.198 224 E C 0.508 177.139 176.600 0.051 0.000 1.024 224 E CA 0.906 57.389 56.400 0.139 0.000 0.861 224 E CB -0.289 29.473 29.700 0.102 0.000 0.788 224 E HN 0.538 nan 8.360 nan 0.000 0.521 225 K N 0.672 121.052 120.400 -0.035 0.000 2.410 225 K HA 0.213 4.534 4.320 0.002 0.000 0.200 225 K C -0.129 176.373 176.600 -0.162 0.000 1.023 225 K CA -0.124 56.119 56.287 -0.073 0.000 1.149 225 K CB 0.271 32.733 32.500 -0.064 0.000 0.859 225 K HN 0.006 nan 8.250 nan 0.000 0.514 226 R N 0.545 120.860 120.500 -0.309 0.000 3.776 226 R HA -0.187 4.154 4.340 0.002 0.000 0.312 226 R C -0.625 175.584 176.300 -0.153 0.000 1.181 226 R CA 0.681 56.489 56.100 -0.486 0.000 0.836 226 R CB -1.890 28.103 30.300 -0.512 0.000 1.324 226 R HN 0.219 nan 8.270 nan 0.000 0.501 227 R N 0.842 121.196 120.500 -0.243 0.000 2.758 227 R HA 0.312 4.654 4.340 0.002 0.000 0.265 227 R C 0.073 175.795 176.300 -0.964 0.000 1.016 227 R CA -1.012 54.834 56.100 -0.423 0.000 1.040 227 R CB 0.862 30.997 30.300 -0.275 0.000 1.152 227 R HN 0.126 nan 8.270 nan 0.000 0.503 228 E N 1.658 121.157 120.200 -1.169 0.000 2.384 228 E HA -0.075 4.276 4.350 0.002 0.000 0.266 228 E C 0.047 176.343 176.600 -0.506 0.000 1.012 228 E CA 0.243 55.934 56.400 -1.183 0.000 0.901 228 E CB 0.879 30.174 29.700 -0.676 0.000 0.967 228 E HN 0.441 nan 8.360 nan 0.000 0.435 229 K N 2.829 123.039 120.400 -0.316 0.000 2.286 229 K HA 0.139 4.460 4.320 0.002 0.000 0.203 229 K C -0.481 176.057 176.600 -0.103 0.000 1.078 229 K CA 0.334 56.528 56.287 -0.154 0.000 0.957 229 K CB 0.826 33.288 32.500 -0.063 0.000 1.018 229 K HN 0.370 nan 8.250 nan 0.000 0.484 230 V N 1.497 121.361 119.914 -0.084 0.000 2.733 230 V HA 0.428 4.549 4.120 0.002 0.000 0.306 230 V C -1.278 174.808 176.094 -0.013 0.000 1.084 230 V CA -0.956 61.291 62.300 -0.090 0.000 0.905 230 V CB 1.691 33.343 31.823 -0.286 0.000 1.010 230 V HN -0.040 nan 8.190 nan 0.000 0.424 231 V N 3.192 123.131 119.914 0.042 0.000 2.888 231 V HA 0.822 4.943 4.120 0.002 0.000 0.309 231 V C -2.007 174.194 176.094 0.178 0.000 1.114 231 V CA -0.153 62.234 62.300 0.145 0.000 0.940 231 V CB 2.300 34.211 31.823 0.147 0.000 1.021 231 V HN 1.027 nan 8.190 nan 0.000 0.426 232 D N 4.197 124.754 120.400 0.261 0.000 2.613 232 D HA 0.148 4.789 4.640 0.002 0.000 0.230 232 D C -0.020 176.386 176.300 0.177 0.000 1.365 232 D CA -0.437 53.709 54.000 0.242 0.000 0.976 232 D CB 1.300 42.267 40.800 0.277 0.000 1.415 232 D HN 0.579 nan 8.370 nan 0.000 0.589 233 W N 4.074 125.165 121.300 -0.349 0.000 2.387 233 W HA -0.049 4.612 4.660 0.002 0.000 0.272 233 W C 0.675 176.888 176.519 -0.509 0.000 1.224 233 W CA 0.923 57.768 57.345 -0.833 0.000 1.210 233 W CB -0.169 28.690 29.460 -1.001 0.000 1.125 233 W HN 0.394 nan 8.180 nan 0.000 0.572 234 F N -0.267 119.738 119.950 0.093 0.000 2.695 234 F HA 0.403 4.931 4.527 0.002 0.000 0.303 234 F C 1.666 177.401 175.800 -0.109 0.000 1.091 234 F CA 0.000 57.916 58.000 -0.141 0.000 1.300 234 F CB -0.938 37.976 39.000 -0.143 0.000 1.071 234 F HN -0.246 nan 8.300 nan 0.000 0.578 235 G N -0.561 108.336 108.800 0.162 0.000 2.403 235 G HA2 0.216 4.177 3.960 0.002 0.000 0.259 235 G HA3 0.216 4.177 3.960 0.002 0.000 0.259 235 G C 0.136 175.124 174.900 0.148 0.000 1.244 235 G CA -0.279 44.935 45.100 0.190 0.000 0.849 235 G HN 0.369 nan 8.290 nan 0.000 0.532 236 C N 2.638 122.041 119.300 0.172 0.000 2.688 236 C HA 0.352 4.813 4.460 0.002 0.000 0.297 236 C C 2.540 177.664 174.990 0.223 0.000 1.308 236 C CA 0.057 59.200 59.018 0.209 0.000 1.726 236 C CB -1.137 26.803 27.740 0.334 0.000 1.982 236 C HN 0.871 nan 8.230 nan 0.000 0.604 237 A N -0.662 122.271 122.820 0.188 0.000 1.933 237 A HA -0.169 4.152 4.320 0.002 0.000 0.218 237 A C 1.488 179.099 177.584 0.044 0.000 1.175 237 A CA 1.508 53.643 52.037 0.164 0.000 0.628 237 A CB -0.555 18.547 19.000 0.170 0.000 0.814 237 A HN 0.635 nan 8.150 nan 0.000 0.444 238 C N 0.853 120.191 119.300 0.064 0.000 2.439 238 C HA 0.386 4.847 4.460 0.002 0.000 0.411 238 C C 1.622 176.677 174.990 0.110 0.000 1.337 238 C CA 0.492 59.541 59.018 0.052 0.000 1.716 238 C CB -1.897 25.883 27.740 0.068 0.000 2.332 238 C HN 0.686 nan 8.230 nan 0.000 0.594 239 T N -3.551 111.011 114.554 0.013 0.000 3.262 239 T HA 0.268 4.620 4.350 0.002 0.000 0.300 239 T C 0.030 174.721 174.700 -0.017 0.000 0.959 239 T CA 0.001 62.034 62.100 -0.112 0.000 0.936 239 T CB -0.460 68.308 68.868 -0.167 0.000 1.169 239 T HN 0.278 nan 8.240 nan 0.000 0.532 240 V N 0.090 119.922 119.914 -0.137 0.000 2.966 240 V HA 1.021 5.142 4.120 0.002 0.000 0.317 240 V C -0.318 175.668 176.094 -0.179 0.000 1.070 240 V CA -0.446 61.702 62.300 -0.253 0.000 1.008 240 V CB 1.438 32.825 31.823 -0.727 0.000 1.070 240 V HN 0.782 nan 8.190 nan 0.000 0.457 241 S N 0.446 116.048 115.700 -0.164 0.000 2.578 241 S HA 0.583 5.054 4.470 0.002 0.000 0.272 241 S C -2.599 171.944 174.600 -0.096 0.000 1.145 241 S CA -0.689 57.451 58.200 -0.100 0.000 0.835 241 S CB 1.292 64.531 63.200 0.064 0.000 1.104 241 S HN 0.460 nan 8.310 nan 0.000 0.458 242 P HA -0.106 nan 4.420 nan 0.000 0.215 242 P C 1.648 179.024 177.300 0.127 0.000 1.157 242 P CA 1.212 64.216 63.100 -0.160 0.000 0.874 242 P CB -0.005 31.479 31.700 -0.360 0.000 0.790 243 R N -0.259 120.343 120.500 0.170 0.000 2.080 243 R HA -0.153 4.189 4.340 0.002 0.000 0.236 243 R C 2.154 178.620 176.300 0.277 0.000 1.137 243 R CA 1.985 58.242 56.100 0.263 0.000 0.943 243 R CB -0.952 29.548 30.300 0.333 0.000 0.846 243 R HN 0.082 nan 8.270 nan 0.000 0.431 244 A N 0.839 123.707 122.820 0.080 0.000 1.933 244 A HA -0.127 4.194 4.320 0.002 0.000 0.218 244 A C 2.219 179.930 177.584 0.212 0.000 1.175 244 A CA 1.203 53.203 52.037 -0.062 0.000 0.628 244 A CB -0.499 18.233 19.000 -0.446 0.000 0.814 244 A HN 0.335 nan 8.150 nan 0.000 0.444 245 L N -0.483 120.860 121.223 0.199 0.000 2.046 245 L HA -0.196 4.145 4.340 0.002 0.000 0.208 245 L C 2.065 179.069 176.870 0.224 0.000 1.077 245 L CA 1.455 56.422 54.840 0.211 0.000 0.747 245 L CB -0.603 41.576 42.059 0.201 0.000 0.896 245 L HN 0.272 nan 8.230 nan 0.000 0.432 246 D N -0.147 120.395 120.400 0.237 0.000 2.117 246 D HA -0.166 4.475 4.640 0.002 0.000 0.198 246 D C 1.816 178.225 176.300 0.181 0.000 0.982 246 D CA 1.121 55.246 54.000 0.208 0.000 0.828 246 D CB -0.244 40.687 40.800 0.218 0.000 0.967 246 D HN 0.253 nan 8.370 nan 0.000 0.464 247 D N -0.194 120.336 120.400 0.217 0.000 2.144 247 D HA -0.146 4.495 4.640 0.002 0.000 0.199 247 D C 1.799 178.143 176.300 0.074 0.000 0.984 247 D CA 0.370 54.505 54.000 0.226 0.000 0.834 247 D CB -0.475 40.594 40.800 0.449 0.000 0.955 247 D HN 0.221 nan 8.370 nan 0.000 0.465 248 F N 1.664 121.418 119.950 -0.328 0.000 2.102 248 F HA -0.176 4.352 4.527 0.002 0.000 0.298 248 F C 2.295 178.006 175.800 -0.148 0.000 1.105 248 F CA 1.670 59.347 58.000 -0.537 0.000 1.239 248 F CB -0.017 38.619 39.000 -0.607 0.000 0.991 248 F HN -0.107 nan 8.300 nan 0.000 0.474 249 E N 0.347 120.626 120.200 0.131 0.000 2.085 249 E HA -0.264 4.088 4.350 0.002 0.000 0.194 249 E C 2.249 178.829 176.600 -0.033 0.000 0.994 249 E CA 1.146 57.570 56.400 0.040 0.000 0.801 249 E CB -0.358 29.404 29.700 0.104 0.000 0.743 249 E HN 0.510 nan 8.360 nan 0.000 0.453 250 A N 1.351 124.170 122.820 -0.002 0.000 1.902 250 A HA -0.227 4.094 4.320 0.002 0.000 0.217 250 A C 2.130 179.671 177.584 -0.070 0.000 1.181 250 A CA 1.858 53.893 52.037 -0.003 0.000 0.623 250 A CB -0.453 18.574 19.000 0.044 0.000 0.818 250 A HN 0.231 nan 8.150 nan 0.000 0.443 251 K N -2.035 118.282 120.400 -0.138 0.000 2.067 251 K HA -0.056 4.265 4.320 0.002 0.000 0.203 251 K C 1.551 177.854 176.600 -0.495 0.000 1.048 251 K CA 1.213 57.326 56.287 -0.291 0.000 0.954 251 K CB -0.202 32.130 32.500 -0.281 0.000 0.737 251 K HN 0.518 nan 8.250 nan 0.000 0.444 252 Y N -0.332 119.690 120.300 -0.463 0.000 2.500 252 Y HA 0.201 4.752 4.550 0.002 0.000 0.270 252 Y C 1.275 177.106 175.900 -0.115 0.000 1.134 252 Y CA 0.533 58.392 58.100 -0.401 0.000 1.293 252 Y CB 0.861 38.789 38.460 -0.886 0.000 1.063 252 Y HN 0.396 nan 8.280 nan 0.000 0.534 253 G N 0.154 108.942 108.800 -0.020 0.000 2.153 253 G HA2 -0.326 3.635 3.960 0.002 0.000 0.252 253 G HA3 -0.326 3.635 3.960 0.002 0.000 0.252 253 G C -0.295 174.741 174.900 0.226 0.000 0.994 253 G CA 0.539 45.690 45.100 0.085 0.000 0.698 253 G HN 0.575 nan 8.290 nan 0.000 0.521 254 Y N -2.864 117.494 120.300 0.097 0.000 2.597 254 Y HA 0.849 5.400 4.550 0.002 0.000 0.340 254 Y C -0.401 175.634 175.900 0.225 0.000 1.097 254 Y CA -2.192 55.991 58.100 0.137 0.000 1.037 254 Y CB 0.960 39.497 38.460 0.128 0.000 1.305 254 Y HN 0.161 nan 8.280 nan 0.000 0.463 255 R N 2.395 123.032 120.500 0.228 0.000 2.229 255 R HA 0.526 4.867 4.340 0.002 0.000 0.328 255 R C -1.448 174.935 176.300 0.137 0.000 1.009 255 R CA -0.464 55.719 56.100 0.138 0.000 0.864 255 R CB 0.493 30.861 30.300 0.114 0.000 1.085 255 R HN 0.893 nan 8.270 nan 0.000 0.453 256 L N 4.671 125.904 121.223 0.016 0.000 2.439 256 L HA 0.340 4.682 4.340 0.002 0.000 0.269 256 L C 0.762 177.621 176.870 -0.017 0.000 1.179 256 L CA -0.019 54.779 54.840 -0.069 0.000 0.828 256 L CB 0.704 42.592 42.059 -0.284 0.000 1.106 256 L HN 0.546 nan 8.230 nan 0.000 0.467 257 R N 2.823 123.287 120.500 -0.061 0.000 2.573 257 R HA 0.245 4.586 4.340 0.002 0.000 0.272 257 R C -1.627 174.548 176.300 -0.209 0.000 1.009 257 R CA -1.670 54.377 56.100 -0.088 0.000 1.059 257 R CB 0.667 30.918 30.300 -0.081 0.000 1.112 257 R HN 0.316 nan 8.270 nan 0.000 0.517 258 P HA -0.223 nan 4.420 nan 0.000 0.217 258 P C 0.738 177.754 177.300 -0.473 0.000 1.148 258 P CA 1.256 63.804 63.100 -0.920 0.000 0.834 258 P CB 0.302 31.524 31.700 -0.797 0.000 0.783 259 E N -0.165 119.863 120.200 -0.287 0.000 2.204 259 E HA -0.179 4.172 4.350 0.002 0.000 0.195 259 E C 1.434 177.888 176.600 -0.244 0.000 0.990 259 E CA 1.132 57.398 56.400 -0.223 0.000 0.821 259 E CB -0.935 28.673 29.700 -0.153 0.000 0.750 259 E HN 0.189 nan 8.360 nan 0.000 0.477 260 D N -1.093 119.130 120.400 -0.295 0.000 2.350 260 D HA -0.121 4.520 4.640 0.002 0.000 0.216 260 D C 0.918 176.797 176.300 -0.702 0.000 0.968 260 D CA 0.744 54.467 54.000 -0.463 0.000 0.894 260 D CB 0.044 40.513 40.800 -0.550 0.000 0.909 260 D HN 0.300 nan 8.370 nan 0.000 0.520 261 F N -0.187 119.563 119.950 -0.332 0.000 2.480 261 F HA -0.043 4.485 4.527 0.002 0.000 0.280 261 F C 2.392 178.051 175.800 -0.236 0.000 1.002 261 F CA 0.087 57.929 58.000 -0.264 0.000 1.325 261 F CB -0.705 38.163 39.000 -0.220 0.000 1.134 261 F HN -0.199 nan 8.300 nan 0.000 0.646 262 V N -1.512 118.302 119.914 -0.167 0.000 2.515 262 V HA -0.129 3.992 4.120 0.002 0.000 0.250 262 V C 0.712 176.541 176.094 -0.442 0.000 1.058 262 V CA 1.451 63.464 62.300 -0.479 0.000 1.064 262 V CB -0.874 30.685 31.823 -0.441 0.000 0.675 262 V HN 0.522 nan 8.190 nan 0.000 0.461 263 D N 0.781 121.023 120.400 -0.263 0.000 2.689 263 D HA -0.091 4.550 4.640 0.002 0.000 0.237 263 D C 1.133 177.337 176.300 -0.160 0.000 1.148 263 D CA 1.491 55.382 54.000 -0.181 0.000 0.656 263 D CB -1.569 39.158 40.800 -0.121 0.000 1.050 263 D HN 1.672 nan 8.370 nan 0.000 0.426 264 G N -0.779 107.919 108.800 -0.170 0.000 2.180 264 G HA2 0.001 3.962 3.960 0.002 0.000 0.263 264 G HA3 0.001 3.962 3.960 0.002 0.000 0.263 264 G C 1.466 176.292 174.900 -0.123 0.000 0.989 264 G CA 0.924 45.949 45.100 -0.126 0.000 0.692 264 G HN 1.819 nan 8.290 nan 0.000 0.526 265 G N -2.109 106.560 108.800 -0.218 0.000 2.179 265 G HA2 0.172 4.134 3.960 0.002 0.000 0.220 265 G HA3 0.172 4.134 3.960 0.002 0.000 0.220 265 G C 1.209 176.107 174.900 -0.004 0.000 0.990 265 G CA 1.145 46.154 45.100 -0.151 0.000 0.646 265 G HN 1.982 nan 8.290 nan 0.000 0.517 266 A N -0.608 122.198 122.820 -0.025 0.000 2.095 266 A HA 0.553 4.874 4.320 0.002 0.000 0.212 266 A C 1.285 179.018 177.584 0.248 0.000 1.162 266 A CA 1.388 53.497 52.037 0.119 0.000 0.753 266 A CB -0.234 18.813 19.000 0.077 0.000 0.840 266 A HN 1.389 nan 8.150 nan 0.000 0.468 267 Y N -0.341 119.997 120.300 0.062 0.000 3.491 267 Y HA -0.265 4.286 4.550 0.002 0.000 0.215 267 Y C 0.579 176.536 175.900 0.095 0.000 1.219 267 Y CA 0.642 58.788 58.100 0.078 0.000 1.485 267 Y CB -2.487 36.032 38.460 0.099 0.000 1.450 267 Y HN 0.583 nan 8.280 nan 0.000 0.603 268 N N -1.583 117.215 118.700 0.163 0.000 2.735 268 N HA -0.205 4.536 4.740 0.002 0.000 0.248 268 N C 0.314 175.971 175.510 0.246 0.000 1.083 268 N CA 1.159 54.304 53.050 0.158 0.000 0.703 268 N CB -1.052 37.499 38.487 0.107 0.000 1.005 268 N HN 0.599 nan 8.380 nan 0.000 0.550 269 S N -0.564 115.303 115.700 0.279 0.000 2.571 269 S HA 0.140 4.612 4.470 0.002 0.000 0.298 269 S C 1.640 176.489 174.600 0.415 0.000 1.280 269 S CA 0.431 58.845 58.200 0.357 0.000 1.052 269 S CB 0.702 64.113 63.200 0.352 0.000 0.799 269 S HN 0.439 nan 8.310 nan 0.000 0.501 270 A N 4.408 127.518 122.820 0.483 0.000 2.178 270 A HA 0.004 4.326 4.320 0.002 0.000 0.218 270 A C 1.417 179.240 177.584 0.398 0.000 1.157 270 A CA 0.926 53.202 52.037 0.398 0.000 0.689 270 A CB -0.675 18.394 19.000 0.115 0.000 0.787 270 A HN 0.973 nan 8.150 nan 0.000 0.465 271 W N 0.507 121.974 121.300 0.278 0.000 2.584 271 W HA 0.105 4.767 4.660 0.002 0.000 0.264 271 W C 0.949 177.471 176.519 0.004 0.000 1.264 271 W CA 0.103 57.545 57.345 0.162 0.000 1.306 271 W CB 0.109 29.772 29.460 0.338 0.000 1.110 271 W HN 0.044 nan 8.180 nan 0.000 0.606 272 R N 1.024 121.681 120.500 0.263 0.000 2.537 272 R HA 0.102 4.444 4.340 0.002 0.000 0.280 272 R C -0.118 176.154 176.300 -0.046 0.000 1.058 272 R CA -0.195 55.973 56.100 0.114 0.000 1.057 272 R CB 0.473 30.843 30.300 0.117 0.000 0.973 272 R HN -0.245 nan 8.270 nan 0.000 0.438 273 V N 6.453 126.299 119.914 -0.113 0.000 2.509 273 V HA 0.002 4.123 4.120 0.002 0.000 0.297 273 V C -1.495 174.442 176.094 -0.262 0.000 1.014 273 V CA -0.764 61.391 62.300 -0.242 0.000 1.127 273 V CB 0.185 31.892 31.823 -0.193 0.000 0.925 273 V HN 0.632 nan 8.190 nan 0.000 0.480 274 P HA 0.288 nan 4.420 nan 0.000 0.271 274 P C -0.428 176.720 177.300 -0.253 0.000 1.216 274 P CA -0.272 62.600 63.100 -0.379 0.000 0.776 274 P CB 0.832 32.045 31.700 -0.812 0.000 0.881 275 R N 1.248 121.656 120.500 -0.152 0.000 2.674 275 R HA 0.275 4.616 4.340 0.002 0.000 0.266 275 R C 1.620 177.867 176.300 -0.088 0.000 1.016 275 R CA -0.871 55.156 56.100 -0.123 0.000 1.062 275 R CB 1.006 31.243 30.300 -0.105 0.000 1.142 275 R HN 0.438 nan 8.270 nan 0.000 0.517 276 K N 1.400 121.755 120.400 -0.075 0.000 2.074 276 K HA -0.223 4.098 4.320 0.002 0.000 0.209 276 K C 1.752 178.383 176.600 0.051 0.000 1.048 276 K CA 2.002 58.275 56.287 -0.025 0.000 0.926 276 K CB -0.173 32.294 32.500 -0.055 0.000 0.713 276 K HN 0.692 nan 8.250 nan 0.000 0.444 277 A N 1.017 123.861 122.820 0.040 0.000 1.933 277 A HA -0.221 4.100 4.320 0.002 0.000 0.218 277 A C 2.005 179.592 177.584 0.005 0.000 1.175 277 A CA 1.573 53.665 52.037 0.092 0.000 0.628 277 A CB -0.470 18.526 19.000 -0.007 0.000 0.814 277 A HN 0.501 nan 8.150 nan 0.000 0.444 278 Q N -0.836 118.950 119.800 -0.024 0.000 2.079 278 Q HA -0.130 4.212 4.340 0.002 0.000 0.200 278 Q C 2.381 178.474 176.000 0.154 0.000 0.974 278 Q CA 1.423 57.251 55.803 0.043 0.000 0.840 278 Q CB -0.145 28.634 28.738 0.069 0.000 0.898 278 Q HN 0.618 nan 8.270 nan 0.000 0.430 279 R N 0.429 121.001 120.500 0.120 0.000 2.075 279 R HA -0.110 4.232 4.340 0.002 0.000 0.232 279 R C 1.653 178.044 176.300 0.152 0.000 1.126 279 R CA 1.271 57.457 56.100 0.143 0.000 0.963 279 R CB -0.092 30.257 30.300 0.082 0.000 0.858 279 R HN 0.272 nan 8.270 nan 0.000 0.435 280 D N 0.041 120.525 120.400 0.139 0.000 2.117 280 D HA -0.230 4.411 4.640 0.002 0.000 0.197 280 D C 1.490 177.877 176.300 0.144 0.000 0.987 280 D CA 0.783 54.803 54.000 0.033 0.000 0.829 280 D CB -0.353 40.426 40.800 -0.035 0.000 0.961 280 D HN 0.330 nan 8.370 nan 0.000 0.460 281 W N 1.392 122.722 121.300 0.049 0.000 2.338 281 W HA -0.170 4.492 4.660 0.002 0.000 0.304 281 W C 1.999 178.617 176.519 0.165 0.000 1.212 281 W CA 0.811 58.203 57.345 0.078 0.000 1.264 281 W CB -0.318 29.072 29.460 -0.117 0.000 1.142 281 W HN -0.044 nan 8.180 nan 0.000 0.512 282 I N 0.794 121.470 120.570 0.176 0.000 2.208 282 I HA -0.349 3.822 4.170 0.002 0.000 0.245 282 I C 2.098 178.233 176.117 0.030 0.000 1.097 282 I CA 1.792 63.133 61.300 0.067 0.000 1.363 282 I CB -0.685 37.386 38.000 0.119 0.000 1.051 282 I HN -0.162 nan 8.210 nan 0.000 0.413 283 D N 0.497 120.961 120.400 0.107 0.000 2.097 283 D HA -0.213 4.429 4.640 0.002 0.000 0.195 283 D C 1.912 178.305 176.300 0.155 0.000 0.989 283 D CA 1.254 55.342 54.000 0.146 0.000 0.827 283 D CB -0.445 40.495 40.800 0.234 0.000 0.966 283 D HN 0.241 nan 8.370 nan 0.000 0.456 284 F N 1.260 121.220 119.950 0.017 0.000 2.069 284 F HA -0.200 4.328 4.527 0.002 0.000 0.298 284 F C 2.147 177.840 175.800 -0.178 0.000 1.113 284 F CA 1.027 59.014 58.000 -0.021 0.000 1.214 284 F CB -0.535 38.430 39.000 -0.059 0.000 0.978 284 F HN -0.090 nan 8.300 nan 0.000 0.474 285 L N -0.205 120.713 121.223 -0.508 0.000 2.046 285 L HA -0.168 4.173 4.340 0.002 0.000 0.208 285 L C 2.759 179.529 176.870 -0.168 0.000 1.077 285 L CA 2.189 56.717 54.840 -0.519 0.000 0.747 285 L CB -1.231 40.489 42.059 -0.565 0.000 0.896 285 L HN 0.342 nan 8.230 nan 0.000 0.432 286 S N -0.862 114.782 115.700 -0.094 0.000 2.383 286 S HA -0.113 4.358 4.470 0.002 0.000 0.227 286 S C 2.079 176.680 174.600 0.002 0.000 1.026 286 S CA 1.121 59.314 58.200 -0.012 0.000 0.981 286 S CB -0.746 62.456 63.200 0.003 0.000 0.818 286 S HN 0.621 nan 8.310 nan 0.000 0.472 287 G N 0.478 109.271 108.800 -0.012 0.000 2.446 287 G HA2 -0.213 3.748 3.960 0.002 0.000 0.217 287 G HA3 -0.213 3.748 3.960 0.002 0.000 0.217 287 G C 1.258 176.151 174.900 -0.011 0.000 1.168 287 G CA 1.007 46.102 45.100 -0.008 0.000 0.771 287 G HN 0.582 nan 8.290 nan 0.000 0.551 288 F N 1.208 121.059 119.950 -0.164 0.000 2.075 288 F HA -0.085 4.443 4.527 0.002 0.000 0.297 288 F C 2.753 178.530 175.800 -0.038 0.000 1.113 288 F CA 1.651 59.580 58.000 -0.118 0.000 1.218 288 F CB -0.447 38.474 39.000 -0.132 0.000 0.984 288 F HN 0.004 nan 8.300 nan 0.000 0.472 289 V N 1.202 121.171 119.914 0.092 0.000 2.287 289 V HA -0.332 3.790 4.120 0.002 0.000 0.248 289 V C 2.572 178.632 176.094 -0.056 0.000 1.053 289 V CA 2.389 64.759 62.300 0.116 0.000 1.027 289 V CB -0.741 31.252 31.823 0.284 0.000 0.646 289 V HN 0.306 nan 8.190 nan 0.000 0.447 290 R N -0.405 120.051 120.500 -0.073 0.000 2.081 290 R HA -0.211 4.131 4.340 0.002 0.000 0.235 290 R C 2.415 178.606 176.300 -0.181 0.000 1.131 290 R CA 1.792 57.820 56.100 -0.121 0.000 0.960 290 R CB -0.341 29.922 30.300 -0.061 0.000 0.856 290 R HN 0.651 nan 8.270 nan 0.000 0.436 291 E N 0.627 120.710 120.200 -0.195 0.000 2.085 291 E HA -0.188 4.163 4.350 0.002 0.000 0.194 291 E C 1.563 178.014 176.600 -0.248 0.000 0.994 291 E CA 1.191 57.462 56.400 -0.215 0.000 0.801 291 E CB 0.089 29.657 29.700 -0.220 0.000 0.743 291 E HN 0.306 nan 8.360 nan 0.000 0.453 292 N N -0.097 118.417 118.700 -0.311 0.000 2.300 292 N HA -0.099 4.642 4.740 0.002 0.000 0.179 292 N C 1.896 177.415 175.510 0.015 0.000 1.016 292 N CA 0.871 53.808 53.050 -0.188 0.000 0.876 292 N CB 0.160 38.272 38.487 -0.625 0.000 0.979 292 N HN 0.079 nan 8.380 nan 0.000 0.432 293 V N 1.991 121.811 119.914 -0.156 0.000 2.343 293 V HA -0.204 3.917 4.120 0.002 0.000 0.247 293 V C 2.528 178.377 176.094 -0.409 0.000 1.051 293 V CA 1.446 63.399 62.300 -0.577 0.000 1.036 293 V CB -0.431 30.813 31.823 -0.964 0.000 0.654 293 V HN 0.309 nan 8.190 nan 0.000 0.451 294 K N 0.010 120.235 120.400 -0.292 0.000 2.057 294 K HA -0.288 4.033 4.320 0.002 0.000 0.207 294 K C 2.296 178.788 176.600 -0.179 0.000 1.049 294 K CA 2.100 58.249 56.287 -0.229 0.000 0.931 294 K CB -0.149 32.238 32.500 -0.187 0.000 0.714 294 K HN 0.564 nan 8.250 nan 0.000 0.440 295 Q N 0.711 120.412 119.800 -0.166 0.000 2.050 295 Q HA -0.162 4.179 4.340 0.002 0.000 0.202 295 Q C 2.164 178.152 176.000 -0.020 0.000 0.980 295 Q CA 1.553 57.260 55.803 -0.160 0.000 0.840 295 Q CB -0.108 28.407 28.738 -0.371 0.000 0.898 295 Q HN 0.387 nan 8.270 nan 0.000 0.424 296 L N 0.161 121.418 121.223 0.056 0.000 2.079 296 L HA -0.212 4.129 4.340 0.002 0.000 0.210 296 L C 2.565 179.466 176.870 0.052 0.000 1.081 296 L CA 1.150 56.022 54.840 0.054 0.000 0.752 296 L CB -0.643 41.208 42.059 -0.347 0.000 0.896 296 L HN 0.370 nan 8.230 nan 0.000 0.433 297 A N -0.411 122.324 122.820 -0.141 0.000 1.897 297 A HA -0.187 4.135 4.320 0.002 0.000 0.215 297 A C 1.907 179.247 177.584 -0.407 0.000 1.181 297 A CA 1.589 53.460 52.037 -0.276 0.000 0.620 297 A CB -0.422 18.394 19.000 -0.306 0.000 0.821 297 A HN 0.317 nan 8.150 nan 0.000 0.443 298 D N -0.074 120.219 120.400 -0.179 0.000 2.123 298 D HA -0.174 4.467 4.640 0.002 0.000 0.196 298 D C 2.002 178.301 176.300 -0.002 0.000 0.992 298 D CA 1.590 55.554 54.000 -0.060 0.000 0.833 298 D CB -0.375 40.399 40.800 -0.044 0.000 0.954 298 D HN 0.501 nan 8.370 nan 0.000 0.455 299 M N 0.291 119.922 119.600 0.050 0.000 2.117 299 M HA -0.125 4.356 4.480 0.002 0.000 0.262 299 M C 2.354 178.714 176.300 0.101 0.000 1.065 299 M CA 1.009 56.372 55.300 0.105 0.000 1.114 299 M CB -0.117 32.620 32.600 0.229 0.000 1.361 299 M HN -0.132 nan 8.290 nan 0.000 0.408 300 S N -0.542 115.267 115.700 0.181 0.000 2.359 300 S HA -0.184 4.287 4.470 0.002 0.000 0.224 300 S C 1.639 176.326 174.600 0.145 0.000 1.035 300 S CA 1.389 59.693 58.200 0.174 0.000 1.018 300 S CB -0.753 62.586 63.200 0.231 0.000 0.876 300 S HN 0.571 nan 8.310 nan 0.000 0.448 301 H N 1.031 120.162 119.070 0.101 0.000 2.321 301 H HA 0.022 4.579 4.556 0.002 0.000 0.300 301 H C 2.533 177.879 175.328 0.029 0.000 1.087 301 H CA 0.783 56.865 56.048 0.057 0.000 1.319 301 H CB -0.217 29.572 29.762 0.044 0.000 1.379 301 H HN 0.445 nan 8.280 nan 0.000 0.501 302 A N 1.151 124.059 122.820 0.147 0.000 1.986 302 A HA -0.155 4.166 4.320 0.002 0.000 0.220 302 A C 2.320 179.924 177.584 0.034 0.000 1.171 302 A CA 1.543 53.619 52.037 0.065 0.000 0.640 302 A CB -0.667 18.351 19.000 0.031 0.000 0.811 302 A HN 0.481 nan 8.150 nan 0.000 0.451 303 A N -1.908 120.930 122.820 0.030 0.000 2.278 303 A HA 0.439 4.761 4.320 0.002 0.000 0.212 303 A C 1.632 179.223 177.584 0.012 0.000 1.213 303 A CA 1.042 53.075 52.037 -0.007 0.000 0.840 303 A CB -0.954 18.011 19.000 -0.060 0.000 0.866 303 A HN 1.921 nan 8.150 nan 0.000 0.489 304 G N -0.372 108.459 108.800 0.050 0.000 2.147 304 G HA2 -0.233 3.728 3.960 0.002 0.000 0.244 304 G HA3 -0.233 3.728 3.960 0.002 0.000 0.244 304 G C 0.004 174.947 174.900 0.070 0.000 1.005 304 G CA 0.557 45.686 45.100 0.049 0.000 0.713 304 G HN 0.588 nan 8.290 nan 0.000 0.515 305 K N -0.060 120.409 120.400 0.116 0.000 2.281 305 K HA 0.558 4.879 4.320 0.002 0.000 0.242 305 K C -0.018 176.714 176.600 0.220 0.000 0.971 305 K CA -0.853 55.511 56.287 0.129 0.000 0.834 305 K CB 1.951 34.515 32.500 0.107 0.000 1.181 305 K HN 0.288 nan 8.250 nan 0.000 0.435 306 E N 0.501 120.806 120.200 0.174 0.000 2.283 306 E HA 0.399 4.750 4.350 0.002 0.000 0.271 306 E C -0.921 175.780 176.600 0.168 0.000 1.031 306 E CA -0.730 55.801 56.400 0.219 0.000 0.868 306 E CB 1.568 31.372 29.700 0.174 0.000 1.094 306 E HN 0.556 nan 8.360 nan 0.000 0.401 307 A N 2.978 125.920 122.820 0.202 0.000 2.304 307 A HA 0.513 4.835 4.320 0.002 0.000 0.314 307 A C -0.734 176.948 177.584 0.163 0.000 1.187 307 A CA -0.552 51.626 52.037 0.234 0.000 0.810 307 A CB 0.585 19.745 19.000 0.267 0.000 1.183 307 A HN 0.636 nan 8.150 nan 0.000 0.487 308 M N 4.225 123.902 119.600 0.128 0.000 2.321 308 M HA 0.641 5.122 4.480 0.002 0.000 0.315 308 M C -1.091 175.292 176.300 0.139 0.000 1.052 308 M CA -0.564 54.756 55.300 0.034 0.000 0.936 308 M CB 1.587 34.119 32.600 -0.114 0.000 1.639 308 M HN 0.816 nan 8.290 nan 0.000 0.433 309 M N 4.774 124.459 119.600 0.143 0.000 2.238 309 M HA 0.404 4.885 4.480 0.002 0.000 0.350 309 M C -1.654 174.726 176.300 0.132 0.000 1.138 309 M CA -0.670 54.712 55.300 0.136 0.000 1.040 309 M CB 1.194 33.986 32.600 0.321 0.000 1.639 309 M HN 0.793 nan 8.290 nan 0.000 0.451 310 F N 5.759 125.671 119.950 -0.063 0.000 2.456 310 F HA 0.299 4.827 4.527 0.002 0.000 0.358 310 F C -0.788 174.982 175.800 -0.050 0.000 1.095 310 F CA -0.677 57.291 58.000 -0.053 0.000 1.216 310 F CB 0.627 39.592 39.000 -0.058 0.000 1.125 310 F HN 0.561 nan 8.300 nan 0.000 0.549 311 L N 7.363 128.184 121.223 -0.670 0.000 2.395 311 L HA 0.557 4.898 4.340 0.002 0.000 0.268 311 L C 0.083 176.154 176.870 -1.333 0.000 1.223 311 L CA 0.641 55.016 54.840 -0.774 0.000 1.093 311 L CB -0.926 40.847 42.059 -0.478 0.000 1.349 311 L HN 0.836 nan 8.230 nan 0.000 0.427 312 G N 1.269 109.305 108.800 -1.274 0.000 2.327 312 G HA2 0.249 4.211 3.960 0.002 0.000 0.291 312 G HA3 0.249 4.211 3.960 0.002 0.000 0.291 312 G C -0.731 174.175 174.900 0.011 0.000 1.290 312 G CA -0.162 44.410 45.100 -0.879 0.000 0.857 312 G HN 0.276 nan 8.290 nan 0.000 0.520 313 D N -0.590 120.143 120.400 0.555 0.000 3.910 313 D HA -0.217 4.424 4.640 0.002 0.000 0.153 313 D C 1.244 177.802 176.300 0.430 0.000 0.802 313 D CA 2.141 56.443 54.000 0.503 0.000 1.009 313 D CB -0.679 40.351 40.800 0.383 0.000 0.453 313 D HN 0.616 nan 8.370 nan 0.000 0.422 314 Q N 1.057 121.015 119.800 0.263 0.000 3.179 314 Q HA 0.132 4.473 4.340 0.002 0.000 0.328 314 Q C 0.680 176.845 176.000 0.275 0.000 1.336 314 Q CA -0.124 55.800 55.803 0.201 0.000 0.939 314 Q CB -0.622 28.159 28.738 0.073 0.000 1.658 314 Q HN 0.544 nan 8.270 nan 0.000 0.486 315 W N -0.513 120.817 121.300 0.050 0.000 3.220 315 W HA 0.281 4.943 4.660 0.002 0.000 0.328 315 W C -0.887 175.654 176.519 0.038 0.000 1.205 315 W CA -0.579 56.779 57.345 0.021 0.000 1.773 315 W CB 0.081 29.463 29.460 -0.130 0.000 1.086 315 W HN 0.024 nan 8.180 nan 0.000 0.622 316 I N 2.561 122.970 120.570 -0.269 0.000 2.618 316 I HA 0.220 4.391 4.170 0.002 0.000 0.284 316 I C 1.676 177.744 176.117 -0.080 0.000 1.146 316 I CA 1.540 62.623 61.300 -0.361 0.000 1.425 316 I CB -0.182 37.753 38.000 -0.109 0.000 1.383 316 I HN 0.440 nan 8.210 nan 0.000 0.562 317 G N 4.542 113.241 108.800 -0.169 0.000 2.217 317 G HA2 -0.336 3.625 3.960 0.002 0.000 0.246 317 G HA3 -0.336 3.625 3.960 0.002 0.000 0.246 317 G C 0.950 175.851 174.900 0.001 0.000 0.990 317 G CA 0.671 45.751 45.100 -0.034 0.000 0.627 317 G HN 0.656 nan 8.290 nan 0.000 0.522 318 T N -1.416 113.139 114.554 0.002 0.000 2.812 318 T HA 0.220 4.571 4.350 0.002 0.000 0.264 318 T C 0.884 175.649 174.700 0.108 0.000 1.042 318 T CA 1.392 63.575 62.100 0.138 0.000 1.140 318 T CB -0.156 68.888 68.868 0.293 0.000 0.870 318 T HN 0.855 nan 8.240 nan 0.000 0.445 319 E N 1.359 121.521 120.200 -0.063 0.000 2.240 319 E HA -0.113 4.238 4.350 0.002 0.000 0.194 319 E C -2.041 174.403 176.600 -0.260 0.000 1.385 319 E CA 0.591 56.930 56.400 -0.103 0.000 0.686 319 E CB -1.378 28.301 29.700 -0.036 0.000 1.125 319 E HN 0.465 nan 8.360 nan 0.000 0.359 320 P HA -0.131 nan 4.420 nan 0.000 0.225 320 P C 0.946 177.701 177.300 -0.908 0.000 1.148 320 P CA 1.165 63.381 63.100 -1.475 0.000 0.779 320 P CB 0.001 31.037 31.700 -1.106 0.000 0.780 321 Y N -0.695 119.436 120.300 -0.281 0.000 2.457 321 Y HA 0.189 4.740 4.550 0.002 0.000 0.263 321 Y C 1.081 176.947 175.900 -0.058 0.000 1.164 321 Y CA 0.024 58.048 58.100 -0.127 0.000 1.274 321 Y CB -0.036 38.369 38.460 -0.092 0.000 1.097 321 Y HN -0.181 nan 8.280 nan 0.000 0.523 322 K N 1.004 121.435 120.400 0.051 0.000 2.118 322 K HA 0.103 4.424 4.320 0.002 0.000 0.267 322 K C -0.588 176.072 176.600 0.100 0.000 0.991 322 K CA -0.822 55.513 56.287 0.080 0.000 0.916 322 K CB 0.577 33.117 32.500 0.066 0.000 1.041 322 K HN -0.048 nan 8.250 nan 0.000 0.455 323 D N 0.587 121.043 120.400 0.093 0.000 2.601 323 D HA -0.026 4.615 4.640 0.002 0.000 0.229 323 D C 1.263 177.624 176.300 0.101 0.000 1.140 323 D CA 1.740 55.795 54.000 0.090 0.000 0.862 323 D CB 0.513 41.354 40.800 0.068 0.000 1.192 323 D HN 0.816 nan 8.370 nan 0.000 0.480 324 G N 1.307 110.166 108.800 0.099 0.000 2.195 324 G HA2 -0.368 3.593 3.960 0.002 0.000 0.246 324 G HA3 -0.368 3.593 3.960 0.002 0.000 0.246 324 G C 0.895 175.857 174.900 0.103 0.000 0.984 324 G CA 0.259 45.406 45.100 0.078 0.000 0.633 324 G HN 0.468 nan 8.290 nan 0.000 0.525 325 F N 2.906 122.848 119.950 -0.014 0.000 2.171 325 F HA -0.045 4.483 4.527 0.002 0.000 0.300 325 F C 2.504 178.287 175.800 -0.028 0.000 1.090 325 F CA 2.313 60.295 58.000 -0.029 0.000 1.293 325 F CB -0.033 38.944 39.000 -0.039 0.000 1.013 325 F HN 0.355 nan 8.300 nan 0.000 0.486 326 D N -0.107 120.317 120.400 0.040 0.000 2.265 326 D HA -0.243 4.398 4.640 0.002 0.000 0.208 326 D C 1.508 177.750 176.300 -0.097 0.000 0.977 326 D CA 1.459 55.434 54.000 -0.041 0.000 0.871 326 D CB -0.874 39.946 40.800 0.033 0.000 0.925 326 D HN 0.495 nan 8.370 nan 0.000 0.485 327 E N 0.015 120.163 120.200 -0.086 0.000 2.347 327 E HA 0.021 4.372 4.350 0.002 0.000 0.196 327 E C 2.246 178.767 176.600 -0.132 0.000 1.008 327 E CA 0.042 56.393 56.400 -0.082 0.000 0.852 327 E CB -0.005 29.664 29.700 -0.051 0.000 0.783 327 E HN 0.388 nan 8.360 nan 0.000 0.505 328 L N -0.381 120.701 121.223 -0.235 0.000 2.201 328 L HA -0.035 4.306 4.340 0.002 0.000 0.212 328 L C 1.695 178.445 176.870 -0.199 0.000 1.105 328 L CA 0.832 55.501 54.840 -0.285 0.000 0.775 328 L CB -0.643 41.120 42.059 -0.494 0.000 0.913 328 L HN 0.311 nan 8.230 nan 0.000 0.440 329 G N 0.674 109.384 108.800 -0.149 0.000 2.160 329 G HA2 -0.286 3.675 3.960 0.002 0.000 0.251 329 G HA3 -0.286 3.675 3.960 0.002 0.000 0.251 329 G C 0.202 175.128 174.900 0.043 0.000 1.008 329 G CA -0.154 44.942 45.100 -0.006 0.000 0.724 329 G HN 0.237 nan 8.290 nan 0.000 0.514 330 L N 0.428 121.578 121.223 -0.122 0.000 2.490 330 L HA 0.173 4.514 4.340 0.002 0.000 0.274 330 L C 1.474 178.343 176.870 -0.002 0.000 1.201 330 L CA -0.157 54.645 54.840 -0.064 0.000 0.869 330 L CB 0.408 42.376 42.059 -0.151 0.000 1.123 330 L HN 0.140 nan 8.230 nan 0.000 0.484 331 D N 2.206 122.636 120.400 0.051 0.000 2.162 331 D HA 0.067 4.708 4.640 0.002 0.000 0.203 331 D C 0.457 176.591 176.300 -0.276 0.000 0.967 331 D CA 1.056 55.053 54.000 -0.005 0.000 0.840 331 D CB 0.526 41.385 40.800 0.098 0.000 0.972 331 D HN 0.614 nan 8.370 nan 0.000 0.482 332 A N 0.035 122.668 122.820 -0.313 0.000 2.612 332 A HA 0.522 4.843 4.320 0.002 0.000 0.293 332 A C -1.308 176.186 177.584 -0.150 0.000 1.075 332 A CA -0.567 51.182 52.037 -0.480 0.000 0.680 332 A CB 1.814 20.158 19.000 -1.094 0.000 1.279 332 A HN -0.089 nan 8.150 nan 0.000 0.411 333 V N 0.714 120.579 119.914 -0.082 0.000 2.555 333 V HA 0.694 4.815 4.120 0.002 0.000 0.302 333 V C -0.387 175.722 176.094 0.025 0.000 1.038 333 V CA -0.601 61.711 62.300 0.020 0.000 0.887 333 V CB 1.533 33.384 31.823 0.047 0.000 0.991 333 V HN 1.047 nan 8.190 nan 0.000 0.434 334 V N 3.952 123.911 119.914 0.074 0.000 2.628 334 V HA 1.036 5.157 4.120 0.002 0.000 0.306 334 V C 0.177 176.348 176.094 0.127 0.000 1.045 334 V CA 0.449 62.823 62.300 0.122 0.000 0.905 334 V CB 1.751 33.681 31.823 0.178 0.000 0.997 334 V HN 1.057 nan 8.190 nan 0.000 0.436 335 G N 2.856 111.703 108.800 0.078 0.000 2.708 335 G HA2 0.521 4.482 3.960 0.002 0.000 0.289 335 G HA3 0.521 4.482 3.960 0.002 0.000 0.289 335 G C -1.130 173.785 174.900 0.024 0.000 1.416 335 G CA -0.596 44.513 45.100 0.016 0.000 0.829 335 G HN 0.795 nan 8.290 nan 0.000 0.480 336 S N 0.586 116.284 115.700 -0.003 0.000 2.474 336 S HA 0.311 4.783 4.470 0.002 0.000 0.276 336 S C 0.331 174.877 174.600 -0.089 0.000 1.227 336 S CA -0.381 57.802 58.200 -0.028 0.000 1.050 336 S CB 0.567 63.749 63.200 -0.029 0.000 0.939 336 S HN 0.347 nan 8.310 nan 0.000 0.490 337 I N 3.941 124.377 120.570 -0.223 0.000 2.308 337 I HA 0.183 4.354 4.170 0.002 0.000 0.293 337 I C 1.322 177.335 176.117 -0.173 0.000 1.078 337 I CA 0.164 61.271 61.300 -0.323 0.000 1.292 337 I CB 0.170 37.694 38.000 -0.794 0.000 1.423 337 I HN 0.854 nan 8.210 nan 0.000 0.493 338 G N 5.320 114.043 108.800 -0.128 0.000 2.784 338 G HA2 0.176 4.137 3.960 0.002 0.000 0.208 338 G HA3 0.176 4.137 3.960 0.002 0.000 0.208 338 G C 0.016 174.865 174.900 -0.086 0.000 1.120 338 G CA 0.272 45.313 45.100 -0.098 0.000 0.774 338 G HN 0.661 nan 8.290 nan 0.000 0.528 339 D N -3.535 116.797 120.400 -0.115 0.000 2.918 339 D HA 0.182 4.824 4.640 0.002 0.000 0.342 339 D C 1.215 177.410 176.300 -0.176 0.000 1.403 339 D CA 0.123 54.055 54.000 -0.113 0.000 0.776 339 D CB 0.141 40.896 40.800 -0.075 0.000 1.365 339 D HN 0.028 nan 8.370 nan 0.000 0.468 340 G N -0.694 107.966 108.800 -0.233 0.000 2.418 340 G HA2 -0.190 3.771 3.960 0.002 0.000 0.217 340 G HA3 -0.190 3.771 3.960 0.002 0.000 0.217 340 G C 1.152 175.837 174.900 -0.358 0.000 1.158 340 G CA 1.865 46.791 45.100 -0.291 0.000 0.771 340 G HN 0.533 nan 8.290 nan 0.000 0.545 341 T N 1.259 115.614 114.554 -0.331 0.000 2.708 341 T HA -0.171 4.180 4.350 0.002 0.000 0.266 341 T C 2.815 177.380 174.700 -0.225 0.000 1.037 341 T CA 2.298 64.222 62.100 -0.294 0.000 1.146 341 T CB -0.729 67.974 68.868 -0.276 0.000 0.865 341 T HN 0.572 nan 8.240 nan 0.000 0.435 342 T N 0.252 114.696 114.554 -0.184 0.000 2.915 342 T HA -0.093 4.258 4.350 0.002 0.000 0.269 342 T C 2.032 176.636 174.700 -0.158 0.000 1.071 342 T CA 1.490 63.486 62.100 -0.174 0.000 1.132 342 T CB -0.908 67.793 68.868 -0.278 0.000 0.878 342 T HN 0.292 nan 8.240 nan 0.000 0.479 343 T N 1.815 116.241 114.554 -0.213 0.000 2.737 343 T HA -0.019 4.332 4.350 0.002 0.000 0.265 343 T C 2.198 176.768 174.700 -0.218 0.000 1.038 343 T CA 0.797 62.779 62.100 -0.196 0.000 1.144 343 T CB -0.165 68.590 68.868 -0.188 0.000 0.866 343 T HN 0.254 nan 8.240 nan 0.000 0.434 344 R N 0.897 121.144 120.500 -0.422 0.000 2.120 344 R HA 0.133 4.474 4.340 0.002 0.000 0.234 344 R C 2.414 178.531 176.300 -0.306 0.000 1.123 344 R CA 0.918 56.631 56.100 -0.644 0.000 0.975 344 R CB -0.786 28.449 30.300 -1.775 0.000 0.866 344 R HN 0.483 nan 8.270 nan 0.000 0.446 345 M N -0.063 119.468 119.600 -0.114 0.000 2.106 345 M HA -0.203 4.279 4.480 0.002 0.000 0.259 345 M C 2.156 178.585 176.300 0.214 0.000 1.068 345 M CA 1.799 57.215 55.300 0.194 0.000 1.100 345 M CB -0.392 32.327 32.600 0.197 0.000 1.351 345 M HN 0.038 nan 8.290 nan 0.000 0.404 346 I N -0.474 120.135 120.570 0.064 0.000 2.235 346 I HA -0.148 4.023 4.170 0.002 0.000 0.241 346 I C 2.710 178.866 176.117 0.065 0.000 1.085 346 I CA 1.032 62.355 61.300 0.038 0.000 1.378 346 I CB -0.655 37.346 38.000 0.001 0.000 1.076 346 I HN 0.201 nan 8.210 nan 0.000 0.415 347 A N 0.462 123.315 122.820 0.054 0.000 1.940 347 A HA -0.240 4.081 4.320 0.002 0.000 0.219 347 A C 1.711 179.374 177.584 0.132 0.000 1.176 347 A CA 2.216 54.302 52.037 0.082 0.000 0.631 347 A CB -0.640 18.383 19.000 0.038 0.000 0.814 347 A HN 0.370 nan 8.150 nan 0.000 0.446 348 D N -0.600 119.925 120.400 0.209 0.000 2.349 348 D HA 0.146 4.787 4.640 0.002 0.000 0.224 348 D C 0.221 176.689 176.300 0.279 0.000 1.029 348 D CA 0.061 54.261 54.000 0.333 0.000 0.879 348 D CB -0.191 40.942 40.800 0.555 0.000 0.906 348 D HN 0.469 nan 8.370 nan 0.000 0.528 349 I N 2.684 123.278 120.570 0.041 0.000 2.581 349 I HA 0.000 4.171 4.170 0.002 0.000 0.285 349 I C -0.966 175.129 176.117 -0.036 0.000 1.129 349 I CA -0.823 60.317 61.300 -0.267 0.000 1.397 349 I CB 0.994 38.793 38.000 -0.336 0.000 1.399 349 I HN -0.085 nan 8.210 nan 0.000 0.537 350 P HA 0.037 nan 4.420 nan 0.000 0.234 350 P C 1.041 178.405 177.300 0.107 0.000 1.175 350 P CA 0.533 63.683 63.100 0.084 0.000 0.801 350 P CB 0.384 32.146 31.700 0.103 0.000 0.891 351 G N 0.780 109.677 108.800 0.161 0.000 3.440 351 G HA2 0.376 4.337 3.960 0.002 0.000 0.263 351 G HA3 0.376 4.337 3.960 0.002 0.000 0.263 351 G C 0.295 175.273 174.900 0.130 0.000 1.236 351 G CA -0.054 45.157 45.100 0.185 0.000 0.927 351 G HN 0.306 nan 8.290 nan 0.000 0.530 352 V N -4.441 115.541 119.914 0.114 0.000 3.102 352 V HA 0.560 4.681 4.120 0.002 0.000 0.312 352 V C 0.842 176.976 176.094 0.066 0.000 1.135 352 V CA -1.219 61.115 62.300 0.058 0.000 1.022 352 V CB 1.900 33.754 31.823 0.051 0.000 1.056 352 V HN 0.055 nan 8.190 nan 0.000 0.436 353 K N 0.573 121.008 120.400 0.059 0.000 2.116 353 K HA 0.183 4.504 4.320 0.002 0.000 0.203 353 K C -0.043 176.716 176.600 0.265 0.000 1.052 353 K CA 1.810 58.189 56.287 0.153 0.000 0.952 353 K CB -0.068 32.554 32.500 0.203 0.000 0.729 353 K HN 0.827 nan 8.250 nan 0.000 0.446 354 Y N -1.557 118.800 120.300 0.095 0.000 2.638 354 Y HA 0.430 4.981 4.550 0.002 0.000 0.335 354 Y C -0.935 175.036 175.900 0.117 0.000 1.155 354 Y CA -1.472 56.693 58.100 0.107 0.000 1.046 354 Y CB 1.098 39.619 38.460 0.102 0.000 1.303 354 Y HN -0.105 nan 8.280 nan 0.000 0.460 355 T N -1.184 113.543 114.554 0.288 0.000 2.916 355 T HA 0.706 5.057 4.350 0.002 0.000 0.292 355 T C -1.340 173.528 174.700 0.281 0.000 1.055 355 T CA -0.744 61.465 62.100 0.181 0.000 1.009 355 T CB 2.479 71.439 68.868 0.154 0.000 1.118 355 T HN 0.956 nan 8.240 nan 0.000 0.497 356 E N -0.086 120.236 120.200 0.203 0.000 2.308 356 E HA 0.567 4.918 4.350 0.002 0.000 0.275 356 E C -0.726 175.952 176.600 0.131 0.000 0.890 356 E CA -0.947 55.580 56.400 0.211 0.000 0.754 356 E CB 1.607 31.456 29.700 0.248 0.000 1.207 356 E HN 1.045 nan 8.360 nan 0.000 0.426 357 G N 3.044 111.923 108.800 0.130 0.000 2.356 357 G HA2 0.327 4.288 3.960 0.002 0.000 0.322 357 G HA3 0.327 4.288 3.960 0.002 0.000 0.322 357 G C -0.783 174.089 174.900 -0.047 0.000 1.125 357 G CA -0.595 44.488 45.100 -0.027 0.000 0.885 357 G HN 0.292 nan 8.290 nan 0.000 0.467 358 R N 2.923 123.337 120.500 -0.142 0.000 2.204 358 R HA 0.292 4.633 4.340 0.002 0.000 0.341 358 R C -0.939 175.229 176.300 -0.219 0.000 1.035 358 R CA -0.517 55.507 56.100 -0.128 0.000 0.887 358 R CB 0.066 30.337 30.300 -0.049 0.000 1.114 358 R HN 0.397 nan 8.270 nan 0.000 0.473 359 F N 3.018 122.737 119.950 -0.386 0.000 2.375 359 F HA 0.345 4.873 4.527 0.002 0.000 0.313 359 F C 0.916 176.714 175.800 -0.005 0.000 1.176 359 F CA -0.455 57.389 58.000 -0.259 0.000 1.142 359 F CB 0.806 39.522 39.000 -0.474 0.000 1.275 359 F HN 0.168 nan 8.300 nan 0.000 0.544 360 L N 2.484 123.932 121.223 0.375 0.000 2.334 360 L HA 0.469 4.810 4.340 0.002 0.000 0.270 360 L C -2.274 174.981 176.870 0.642 0.000 1.018 360 L CA -2.053 53.049 54.840 0.438 0.000 0.811 360 L CB 1.629 43.856 42.059 0.280 0.000 1.271 360 L HN 0.297 nan 8.230 nan 0.000 0.443 361 P HA 0.015 nan 4.420 nan 0.000 0.277 361 P C -1.138 176.541 177.300 0.632 0.000 1.240 361 P CA -0.329 63.069 63.100 0.496 0.000 0.798 361 P CB 0.586 32.479 31.700 0.323 0.000 0.979 362 Y N 2.175 122.689 120.300 0.357 0.000 2.610 362 Y HA 0.054 4.605 4.550 0.002 0.000 0.332 362 Y C 0.273 176.509 175.900 0.559 0.000 1.201 362 Y CA 0.094 58.371 58.100 0.296 0.000 1.465 362 Y CB -0.121 38.427 38.460 0.147 0.000 1.283 362 Y HN 0.157 nan 8.280 nan 0.000 0.563 363 F N 8.116 127.902 119.950 -0.273 0.000 2.600 363 F HA 0.207 4.736 4.527 0.002 0.000 0.345 363 F C -0.434 175.341 175.800 -0.043 0.000 1.271 363 F CA -0.424 57.338 58.000 -0.398 0.000 1.138 363 F CB -1.587 37.133 39.000 -0.467 0.000 1.449 363 F HN 0.323 nan 8.300 nan 0.000 0.645 364 F N 3.431 123.530 119.950 0.249 0.000 2.654 364 F HA 0.404 4.932 4.527 0.002 0.000 0.308 364 F C -1.996 174.008 175.800 0.339 0.000 1.108 364 F CA -2.151 56.056 58.000 0.345 0.000 0.957 364 F CB 2.403 41.699 39.000 0.494 0.000 1.309 364 F HN -0.078 nan 8.300 nan 0.000 0.446 365 P HA -0.110 nan 4.420 nan 0.000 0.228 365 P C 0.734 178.177 177.300 0.237 0.000 1.151 365 P CA 1.271 64.398 63.100 0.044 0.000 0.770 365 P CB -0.033 31.564 31.700 -0.170 0.000 0.786 366 D N -1.104 119.516 120.400 0.367 0.000 2.219 366 D HA -0.123 4.518 4.640 0.002 0.000 0.205 366 D C 1.533 178.054 176.300 0.368 0.000 0.970 366 D CA 1.971 56.174 54.000 0.338 0.000 0.851 366 D CB -1.206 39.816 40.800 0.370 0.000 0.943 366 D HN 0.253 nan 8.370 nan 0.000 0.488 367 T N -3.316 111.427 114.554 0.315 0.000 2.964 367 T HA 0.181 4.532 4.350 0.002 0.000 0.249 367 T C 0.446 174.901 174.700 -0.408 0.000 1.000 367 T CA -0.542 61.566 62.100 0.014 0.000 0.992 367 T CB -0.681 68.108 68.868 -0.133 0.000 1.087 367 T HN -0.023 nan 8.240 nan 0.000 0.489 368 F N 3.912 123.752 119.950 -0.183 0.000 2.573 368 F HA 0.446 4.974 4.527 0.002 0.000 0.349 368 F C -0.373 175.426 175.800 -0.002 0.000 1.213 368 F CA -1.430 56.255 58.000 -0.524 0.000 1.300 368 F CB -0.288 38.380 39.000 -0.554 0.000 1.661 368 F HN 0.346 nan 8.300 nan 0.000 0.616 369 Y N -1.425 118.944 120.300 0.116 0.000 2.536 369 Y HA 0.502 5.054 4.550 0.002 0.000 0.347 369 Y C -0.252 175.849 175.900 0.335 0.000 1.000 369 Y CA -2.203 56.045 58.100 0.247 0.000 1.051 369 Y CB 0.581 39.101 38.460 0.100 0.000 1.259 369 Y HN 0.225 nan 8.280 nan 0.000 0.468 370 E N 1.377 121.792 120.200 0.358 0.000 2.465 370 E HA 0.342 4.693 4.350 0.002 0.000 0.260 370 E C 0.942 177.641 176.600 0.166 0.000 0.980 370 E CA 1.476 57.976 56.400 0.166 0.000 0.927 370 E CB -0.083 29.669 29.700 0.087 0.000 0.934 370 E HN 1.130 nan 8.360 nan 0.000 0.459 371 G N 3.625 112.460 108.800 0.059 0.000 2.259 371 G HA2 -0.266 3.695 3.960 0.002 0.000 0.217 371 G HA3 -0.266 3.695 3.960 0.002 0.000 0.217 371 G C 0.240 175.090 174.900 -0.083 0.000 1.001 371 G CA 0.075 45.200 45.100 0.042 0.000 0.627 371 G HN 0.620 nan 8.290 nan 0.000 0.501 372 N N 1.005 119.498 118.700 -0.346 0.000 2.508 372 N HA 0.514 5.255 4.740 0.002 0.000 0.285 372 N C -1.303 174.073 175.510 -0.223 0.000 1.144 372 N CA -0.393 52.368 53.050 -0.482 0.000 0.978 372 N CB 1.395 39.200 38.487 -1.135 0.000 1.180 372 N HN 0.082 nan 8.380 nan 0.000 0.484 373 D N 1.987 122.274 120.400 -0.189 0.000 2.460 373 D HA 0.372 5.014 4.640 0.002 0.000 0.268 373 D C -2.000 174.201 176.300 -0.165 0.000 1.153 373 D CA -2.035 51.909 54.000 -0.094 0.000 0.929 373 D CB 0.940 41.730 40.800 -0.017 0.000 1.015 373 D HN 0.332 nan 8.370 nan 0.000 0.502 374 P HA -0.121 nan 4.420 nan 0.000 0.225 374 P C 1.399 178.711 177.300 0.019 0.000 1.148 374 P CA 0.736 63.529 63.100 -0.511 0.000 0.779 374 P CB 0.155 30.954 31.700 -1.501 0.000 0.780 375 S N -0.891 114.951 115.700 0.237 0.000 2.419 375 S HA -0.147 4.324 4.470 0.002 0.000 0.233 375 S C 1.891 176.606 174.600 0.191 0.000 1.016 375 S CA 0.865 59.257 58.200 0.320 0.000 0.974 375 S CB -1.526 61.796 63.200 0.203 0.000 0.786 375 S HN 0.088 nan 8.310 nan 0.000 0.492 376 I N 1.935 122.572 120.570 0.112 0.000 2.142 376 I HA -0.192 3.979 4.170 0.002 0.000 0.240 376 I C 2.967 179.161 176.117 0.128 0.000 1.078 376 I CA 2.019 63.377 61.300 0.096 0.000 1.343 376 I CB -0.513 37.519 38.000 0.054 0.000 1.046 376 I HN 0.414 nan 8.210 nan 0.000 0.405 377 E N 1.108 121.376 120.200 0.113 0.000 2.085 377 E HA -0.210 4.141 4.350 0.002 0.000 0.194 377 E C 2.274 179.031 176.600 0.261 0.000 0.994 377 E CA 1.403 57.895 56.400 0.152 0.000 0.801 377 E CB -0.255 29.509 29.700 0.106 0.000 0.743 377 E HN 0.529 nan 8.360 nan 0.000 0.453 378 G N 1.055 110.064 108.800 0.348 0.000 2.446 378 G HA2 -0.264 3.697 3.960 0.002 0.000 0.217 378 G HA3 -0.264 3.697 3.960 0.002 0.000 0.217 378 G C 1.544 176.673 174.900 0.381 0.000 1.168 378 G CA 0.900 46.276 45.100 0.459 0.000 0.771 378 G HN 0.226 nan 8.290 nan 0.000 0.551 379 L N 0.143 121.544 121.223 0.297 0.000 2.179 379 L HA 0.043 4.384 4.340 0.002 0.000 0.208 379 L C 2.489 179.535 176.870 0.295 0.000 1.096 379 L CA 0.682 55.711 54.840 0.315 0.000 0.779 379 L CB -0.228 41.968 42.059 0.228 0.000 0.922 379 L HN 0.057 nan 8.230 nan 0.000 0.443 380 D N -0.074 120.463 120.400 0.228 0.000 2.092 380 D HA -0.244 4.397 4.640 0.002 0.000 0.193 380 D C 1.878 178.302 176.300 0.207 0.000 0.994 380 D CA 1.261 55.369 54.000 0.180 0.000 0.828 380 D CB -0.348 40.539 40.800 0.145 0.000 0.963 380 D HN 0.282 nan 8.370 nan 0.000 0.450 381 N N -0.116 118.747 118.700 0.272 0.000 2.084 381 N HA -0.162 4.580 4.740 0.002 0.000 0.190 381 N C 1.978 177.744 175.510 0.426 0.000 1.030 381 N CA 0.928 54.164 53.050 0.309 0.000 0.849 381 N CB -0.215 38.495 38.487 0.373 0.000 1.012 381 N HN 0.389 nan 8.380 nan 0.000 0.423 382 W N 1.990 123.469 121.300 0.299 0.000 2.358 382 W HA -0.152 4.509 4.660 0.002 0.000 0.303 382 W C 1.982 178.631 176.519 0.218 0.000 1.208 382 W CA 0.765 58.280 57.345 0.285 0.000 1.274 382 W CB -0.139 29.431 29.460 0.184 0.000 1.138 382 W HN 0.108 nan 8.180 nan 0.000 0.515 383 R N 0.334 120.835 120.500 0.002 0.000 2.092 383 R HA -0.131 4.210 4.340 0.002 0.000 0.231 383 R C 2.331 178.534 176.300 -0.161 0.000 1.119 383 R CA 1.477 57.464 56.100 -0.187 0.000 0.970 383 R CB -0.377 29.915 30.300 -0.013 0.000 0.864 383 R HN 0.168 nan 8.270 nan 0.000 0.440 384 K N 0.139 120.513 120.400 -0.044 0.000 2.097 384 K HA -0.058 4.263 4.320 0.002 0.000 0.205 384 K C 2.089 178.620 176.600 -0.116 0.000 1.050 384 K CA 1.299 57.548 56.287 -0.063 0.000 0.938 384 K CB -0.034 32.452 32.500 -0.024 0.000 0.718 384 K HN 0.125 nan 8.250 nan 0.000 0.442 385 A N 1.432 124.212 122.820 -0.066 0.000 1.929 385 A HA -0.132 4.189 4.320 0.002 0.000 0.216 385 A C 2.072 179.553 177.584 -0.172 0.000 1.176 385 A CA 1.078 53.085 52.037 -0.049 0.000 0.628 385 A CB -0.368 18.762 19.000 0.216 0.000 0.816 385 A HN 0.205 nan 8.150 nan 0.000 0.444 386 R N 0.555 120.774 120.500 -0.467 0.000 2.081 386 R HA -0.192 4.149 4.340 0.002 0.000 0.235 386 R C 2.385 178.498 176.300 -0.310 0.000 1.131 386 R CA 1.734 57.441 56.100 -0.655 0.000 0.960 386 R CB -0.322 29.252 30.300 -1.210 0.000 0.856 386 R HN 0.673 nan 8.270 nan 0.000 0.436 387 R N -0.264 120.088 120.500 -0.245 0.000 2.120 387 R HA -0.016 4.325 4.340 0.002 0.000 0.234 387 R C 2.001 178.227 176.300 -0.123 0.000 1.123 387 R CA 1.349 57.359 56.100 -0.150 0.000 0.975 387 R CB -0.444 29.790 30.300 -0.109 0.000 0.866 387 R HN 0.191 nan 8.270 nan 0.000 0.446 388 A N 1.708 124.437 122.820 -0.151 0.000 1.898 388 A HA 0.050 4.371 4.320 0.002 0.000 0.214 388 A C 2.207 179.734 177.584 -0.095 0.000 1.183 388 A CA 0.807 52.748 52.037 -0.161 0.000 0.622 388 A CB -0.320 18.540 19.000 -0.233 0.000 0.824 388 A HN 0.262 nan 8.150 nan 0.000 0.444 389 I N 0.142 120.677 120.570 -0.059 0.000 2.264 389 I HA -0.272 3.900 4.170 0.002 0.000 0.248 389 I C 2.176 178.318 176.117 0.042 0.000 1.111 389 I CA 0.993 62.303 61.300 0.016 0.000 1.382 389 I CB -0.250 37.788 38.000 0.065 0.000 1.060 389 I HN 0.299 nan 8.210 nan 0.000 0.418 390 L N 0.040 121.281 121.223 0.031 0.000 2.127 390 L HA -0.200 4.141 4.340 0.002 0.000 0.211 390 L C 2.515 179.438 176.870 0.089 0.000 1.089 390 L CA 1.043 55.950 54.840 0.112 0.000 0.757 390 L CB -0.585 41.518 42.059 0.073 0.000 0.899 390 L HN 0.262 nan 8.230 nan 0.000 0.434 391 R N -1.065 119.451 120.500 0.027 0.000 2.173 391 R HA 0.154 4.495 4.340 0.002 0.000 0.208 391 R C 0.706 177.040 176.300 0.055 0.000 1.035 391 R CA 0.309 56.423 56.100 0.023 0.000 1.004 391 R CB -0.017 30.287 30.300 0.006 0.000 0.917 391 R HN 0.097 nan 8.270 nan 0.000 0.462 392 S N 1.176 116.907 115.700 0.052 0.000 2.446 392 S HA 0.369 4.840 4.470 0.002 0.000 0.230 392 S C -2.851 171.800 174.600 0.086 0.000 1.051 392 S CA -1.275 56.971 58.200 0.077 0.000 1.113 392 S CB 1.213 64.452 63.200 0.066 0.000 1.184 392 S HN -0.178 nan 8.310 nan 0.000 0.435 393 P HA 0.312 nan 4.420 nan 0.000 0.268 393 P C -0.412 176.985 177.300 0.162 0.000 1.205 393 P CA -0.274 62.902 63.100 0.126 0.000 0.771 393 P CB 0.287 32.065 31.700 0.131 0.000 0.858 394 I N -1.548 119.148 120.570 0.209 0.000 2.607 394 I HA 0.419 4.590 4.170 0.002 0.000 0.305 394 I C 0.734 177.073 176.117 0.371 0.000 0.995 394 I CA -0.460 61.010 61.300 0.285 0.000 1.148 394 I CB 2.029 40.226 38.000 0.329 0.000 1.323 394 I HN 0.061 nan 8.210 nan 0.000 0.461 395 S N 2.991 118.907 115.700 0.361 0.000 2.387 395 S HA 0.145 4.616 4.470 0.002 0.000 0.226 395 S C 0.632 175.479 174.600 0.412 0.000 1.026 395 S CA 0.637 59.032 58.200 0.324 0.000 0.972 395 S CB -0.219 63.165 63.200 0.307 0.000 0.814 395 S HN 0.656 nan 8.310 nan 0.000 0.477 396 R N -0.217 120.542 120.500 0.432 0.000 2.774 396 R HA 0.620 4.961 4.340 0.002 0.000 0.272 396 R C -0.849 175.357 176.300 -0.157 0.000 1.000 396 R CA -0.531 55.647 56.100 0.130 0.000 0.906 396 R CB 1.811 32.189 30.300 0.130 0.000 1.227 396 R HN 0.241 nan 8.270 nan 0.000 0.468 397 M N -0.981 118.204 119.600 -0.692 0.000 2.775 397 M HA 0.934 5.415 4.480 0.002 0.000 0.296 397 M C -0.222 175.632 176.300 -0.743 0.000 1.248 397 M CA -0.633 54.267 55.300 -0.667 0.000 0.800 397 M CB 2.549 34.340 32.600 -1.348 0.000 1.765 397 M HN 0.649 nan 8.290 nan 0.000 0.472 398 G N -0.595 107.706 108.800 -0.832 0.000 2.315 398 G HA2 0.485 4.446 3.960 0.002 0.000 0.294 398 G HA3 0.485 4.446 3.960 0.002 0.000 0.294 398 G C -2.552 171.822 174.900 -0.878 0.000 1.300 398 G CA -0.807 43.690 45.100 -1.006 0.000 0.843 398 G HN 0.768 nan 8.290 nan 0.000 0.527 399 Y N -1.040 118.994 120.300 -0.443 0.000 2.605 399 Y HA 0.773 5.324 4.550 0.002 0.000 0.343 399 Y C 0.787 176.409 175.900 -0.464 0.000 1.036 399 Y CA 0.009 57.838 58.100 -0.452 0.000 1.065 399 Y CB 2.555 40.581 38.460 -0.722 0.000 1.288 399 Y HN 0.961 nan 8.280 nan 0.000 0.481 400 G N -0.747 107.834 108.800 -0.365 0.000 2.658 400 G HA2 0.624 4.585 3.960 0.002 0.000 0.292 400 G HA3 0.624 4.585 3.960 0.002 0.000 0.292 400 G C -0.305 174.126 174.900 -0.781 0.000 1.320 400 G CA -0.342 44.574 45.100 -0.307 0.000 0.933 400 G HN 1.238 nan 8.290 nan 0.000 0.476 401 G N -1.090 107.313 108.800 -0.662 0.000 2.416 401 G HA2 0.008 3.969 3.960 0.002 0.000 0.203 401 G HA3 0.008 3.969 3.960 0.002 0.000 0.203 401 G C -1.089 173.573 174.900 -0.396 0.000 1.227 401 G CA -0.569 44.038 45.100 -0.820 0.000 1.041 401 G HN 0.926 nan 8.290 nan 0.000 0.546 402 Y N 0.892 121.178 120.300 -0.023 0.000 2.477 402 Y HA 0.484 5.035 4.550 0.002 0.000 0.349 402 Y C 1.603 177.505 175.900 0.004 0.000 0.977 402 Y CA -0.178 57.906 58.100 -0.028 0.000 1.214 402 Y CB 1.299 39.695 38.460 -0.105 0.000 1.124 402 Y HN 0.578 nan 8.280 nan 0.000 0.521 403 L N 2.304 123.643 121.223 0.194 0.000 2.079 403 L HA -0.238 4.103 4.340 0.002 0.000 0.210 403 L C 2.311 179.180 176.870 -0.001 0.000 1.081 403 L CA 2.230 57.215 54.840 0.241 0.000 0.752 403 L CB -0.636 41.652 42.059 0.381 0.000 0.896 403 L HN 0.725 nan 8.230 nan 0.000 0.433 404 S N -1.480 113.955 115.700 -0.441 0.000 2.419 404 S HA -0.208 4.263 4.470 0.002 0.000 0.235 404 S C 2.001 176.472 174.600 -0.214 0.000 1.019 404 S CA 1.495 59.274 58.200 -0.703 0.000 0.982 404 S CB -0.836 61.744 63.200 -1.032 0.000 0.789 404 S HN 0.515 nan 8.310 nan 0.000 0.490 405 L N 0.948 122.057 121.223 -0.190 0.000 2.068 405 L HA 0.087 4.428 4.340 0.002 0.000 0.204 405 L C 3.168 179.897 176.870 -0.235 0.000 1.076 405 L CA 1.054 55.795 54.840 -0.166 0.000 0.753 405 L CB -0.773 41.152 42.059 -0.224 0.000 0.910 405 L HN 0.455 nan 8.230 nan 0.000 0.439 406 A N 0.014 122.449 122.820 -0.643 0.000 1.972 406 A HA -0.150 4.171 4.320 0.002 0.000 0.219 406 A C 2.445 180.053 177.584 0.039 0.000 1.169 406 A CA 1.530 53.150 52.037 -0.696 0.000 0.635 406 A CB -0.620 17.584 19.000 -1.327 0.000 0.810 406 A HN 0.403 nan 8.150 nan 0.000 0.446 407 A N -0.151 122.710 122.820 0.068 0.000 2.070 407 A HA -0.126 4.195 4.320 0.002 0.000 0.220 407 A C 1.919 179.597 177.584 0.156 0.000 1.159 407 A CA 1.644 53.769 52.037 0.146 0.000 0.656 407 A CB -0.361 18.790 19.000 0.250 0.000 0.800 407 A HN 0.564 nan 8.150 nan 0.000 0.453 408 K N -1.548 118.966 120.400 0.190 0.000 2.487 408 K HA 0.138 4.459 4.320 0.002 0.000 0.192 408 K C -0.883 175.642 176.600 -0.124 0.000 1.027 408 K CA 0.204 56.514 56.287 0.038 0.000 1.054 408 K CB 0.059 32.544 32.500 -0.025 0.000 0.824 408 K HN 0.487 nan 8.250 nan 0.000 0.510 409 F N 1.392 121.417 119.950 0.124 0.000 2.443 409 F HA 0.215 4.743 4.527 0.002 0.000 0.369 409 F C -1.724 174.190 175.800 0.191 0.000 1.090 409 F CA -2.350 55.747 58.000 0.162 0.000 1.129 409 F CB 1.531 40.669 39.000 0.230 0.000 1.367 409 F HN -0.126 nan 8.300 nan 0.000 0.465 410 P HA -0.163 nan 4.420 nan 0.000 0.221 410 P C 1.589 178.990 177.300 0.169 0.000 1.150 410 P CA 1.155 64.346 63.100 0.152 0.000 0.800 410 P CB 0.363 32.101 31.700 0.064 0.000 0.787 411 K N -0.792 119.717 120.400 0.182 0.000 2.057 411 K HA -0.149 4.172 4.320 0.002 0.000 0.206 411 K C 2.046 178.762 176.600 0.194 0.000 1.050 411 K CA 0.999 57.380 56.287 0.157 0.000 0.935 411 K CB -0.569 32.016 32.500 0.141 0.000 0.715 411 K HN -0.083 nan 8.250 nan 0.000 0.439 412 F N 1.149 121.198 119.950 0.165 0.000 2.102 412 F HA -0.204 4.325 4.527 0.002 0.000 0.298 412 F C 1.804 177.709 175.800 0.174 0.000 1.105 412 F CA 1.234 59.325 58.000 0.152 0.000 1.239 412 F CB -0.353 38.768 39.000 0.201 0.000 0.991 412 F HN -0.211 nan 8.300 nan 0.000 0.474 413 V N 0.610 120.685 119.914 0.268 0.000 2.282 413 V HA -0.345 3.777 4.120 0.002 0.000 0.249 413 V C 2.073 178.295 176.094 0.213 0.000 1.057 413 V CA 2.309 64.802 62.300 0.322 0.000 1.032 413 V CB -0.772 31.221 31.823 0.284 0.000 0.645 413 V HN 0.302 nan 8.190 nan 0.000 0.447 414 D N -0.379 120.088 120.400 0.112 0.000 2.178 414 D HA -0.122 4.519 4.640 0.002 0.000 0.201 414 D C 2.257 178.558 176.300 0.002 0.000 0.980 414 D CA 1.671 55.712 54.000 0.070 0.000 0.842 414 D CB -0.317 40.515 40.800 0.052 0.000 0.948 414 D HN 0.419 nan 8.370 nan 0.000 0.472 415 T N 0.304 114.802 114.554 -0.095 0.000 2.737 415 T HA -0.065 4.286 4.350 0.002 0.000 0.265 415 T C 2.252 176.803 174.700 -0.248 0.000 1.038 415 T CA 0.575 62.585 62.100 -0.150 0.000 1.144 415 T CB -0.202 68.553 68.868 -0.187 0.000 0.866 415 T HN -0.023 nan 8.240 nan 0.000 0.434 416 V N 1.728 121.333 119.914 -0.516 0.000 2.407 416 V HA -0.181 3.940 4.120 0.002 0.000 0.248 416 V C 2.759 178.513 176.094 -0.567 0.000 1.055 416 V CA 1.887 63.741 62.300 -0.744 0.000 1.049 416 V CB -1.172 29.775 31.823 -1.459 0.000 0.662 416 V HN 0.538 nan 8.190 nan 0.000 0.455 417 T N -0.844 113.577 114.554 -0.221 0.000 2.684 417 T HA -0.299 4.052 4.350 0.002 0.000 0.267 417 T C 1.837 176.490 174.700 -0.078 0.000 1.036 417 T CA 2.303 64.393 62.100 -0.015 0.000 1.148 417 T CB -0.395 68.561 68.868 0.146 0.000 0.863 417 T HN 0.767 nan 8.240 nan 0.000 0.436 418 H N 0.870 119.861 119.070 -0.131 0.000 2.321 418 H HA 0.033 4.590 4.556 0.002 0.000 0.300 418 H C 2.075 177.290 175.328 -0.189 0.000 1.087 418 H CA 1.545 57.528 56.048 -0.107 0.000 1.319 418 H CB -0.491 29.234 29.762 -0.062 0.000 1.379 418 H HN 0.328 nan 8.280 nan 0.000 0.501 419 I N 0.443 120.797 120.570 -0.361 0.000 2.163 419 I HA -0.288 3.883 4.170 0.002 0.000 0.243 419 I C 2.777 178.511 176.117 -0.637 0.000 1.085 419 I CA 1.163 62.044 61.300 -0.699 0.000 1.347 419 I CB -0.566 37.038 38.000 -0.661 0.000 1.044 419 I HN 0.491 nan 8.210 nan 0.000 0.408 420 A N 0.873 123.453 122.820 -0.399 0.000 1.902 420 A HA -0.213 4.108 4.320 0.002 0.000 0.217 420 A C 2.074 179.571 177.584 -0.146 0.000 1.181 420 A CA 1.926 53.829 52.037 -0.224 0.000 0.623 420 A CB -0.665 18.144 19.000 -0.318 0.000 0.818 420 A HN 0.419 nan 8.150 nan 0.000 0.443 421 N N -0.366 118.224 118.700 -0.184 0.000 2.120 421 N HA -0.156 4.585 4.740 0.002 0.000 0.188 421 N C 1.734 177.189 175.510 -0.092 0.000 1.024 421 N CA 1.567 54.549 53.050 -0.113 0.000 0.852 421 N CB -0.386 38.039 38.487 -0.103 0.000 1.003 421 N HN 0.771 nan 8.380 nan 0.000 0.424 422 E N -0.174 119.908 120.200 -0.198 0.000 2.106 422 E HA -0.132 4.219 4.350 0.002 0.000 0.192 422 E C 1.805 178.465 176.600 0.100 0.000 0.984 422 E CA 0.478 56.840 56.400 -0.063 0.000 0.806 422 E CB -0.145 29.485 29.700 -0.117 0.000 0.750 422 E HN 0.291 nan 8.360 nan 0.000 0.458 423 F N 1.416 121.256 119.950 -0.183 0.000 2.095 423 F HA -0.192 4.337 4.527 0.002 0.000 0.298 423 F C 2.296 178.144 175.800 0.081 0.000 1.104 423 F CA 1.677 59.664 58.000 -0.022 0.000 1.232 423 F CB 0.033 38.870 39.000 -0.271 0.000 0.987 423 F HN -0.112 nan 8.300 nan 0.000 0.475 424 R N -0.138 120.517 120.500 0.257 0.000 2.096 424 R HA -0.179 4.162 4.340 0.002 0.000 0.235 424 R C 1.892 178.233 176.300 0.068 0.000 1.127 424 R CA 1.656 57.858 56.100 0.170 0.000 0.968 424 R CB -0.681 29.694 30.300 0.126 0.000 0.861 424 R HN 0.346 nan 8.270 nan 0.000 0.440 425 D N 0.590 121.010 120.400 0.033 0.000 2.117 425 D HA -0.110 4.531 4.640 0.002 0.000 0.197 425 D C 1.738 177.986 176.300 -0.087 0.000 0.987 425 D CA 1.053 55.033 54.000 -0.033 0.000 0.829 425 D CB 0.062 40.860 40.800 -0.004 0.000 0.961 425 D HN 0.098 nan 8.370 nan 0.000 0.460 426 I N -0.494 120.100 120.570 0.039 0.000 2.179 426 I HA -0.268 3.904 4.170 0.002 0.000 0.242 426 I C 2.262 178.313 176.117 -0.109 0.000 1.088 426 I CA 1.384 62.726 61.300 0.071 0.000 1.357 426 I CB -0.386 37.728 38.000 0.190 0.000 1.051 426 I HN 0.191 nan 8.210 nan 0.000 0.409 427 H N 1.103 120.063 119.070 -0.184 0.000 2.352 427 H HA -0.215 4.342 4.556 0.002 0.000 0.299 427 H C 1.783 177.008 175.328 -0.172 0.000 1.097 427 H CA 2.221 58.160 56.048 -0.181 0.000 1.311 427 H CB -0.049 29.621 29.762 -0.154 0.000 1.377 427 H HN 0.262 nan 8.280 nan 0.000 0.504 428 D N -0.116 120.197 120.400 -0.144 0.000 2.117 428 D HA -0.091 4.550 4.640 0.002 0.000 0.198 428 D C 2.294 178.386 176.300 -0.347 0.000 0.982 428 D CA 1.033 54.916 54.000 -0.196 0.000 0.828 428 D CB -0.194 40.541 40.800 -0.108 0.000 0.967 428 D HN 0.419 nan 8.370 nan 0.000 0.464 429 R N -0.089 120.125 120.500 -0.477 0.000 2.115 429 R HA -0.036 4.305 4.340 0.002 0.000 0.230 429 R C 2.101 178.010 176.300 -0.651 0.000 1.111 429 R CA 1.563 57.258 56.100 -0.675 0.000 0.976 429 R CB -0.201 29.358 30.300 -1.235 0.000 0.870 429 R HN 0.290 nan 8.270 nan 0.000 0.445 430 T N -3.777 110.399 114.554 -0.630 0.000 3.044 430 T HA 0.160 4.511 4.350 0.002 0.000 0.250 430 T C 1.395 175.834 174.700 -0.434 0.000 1.081 430 T CA 0.438 62.128 62.100 -0.683 0.000 1.040 430 T CB 0.717 69.167 68.868 -0.698 0.000 0.962 430 T HN 0.332 nan 8.240 nan 0.000 0.506 431 G N 1.360 109.890 108.800 -0.449 0.000 2.203 431 G HA2 0.057 4.018 3.960 0.002 0.000 0.263 431 G HA3 0.057 4.018 3.960 0.002 0.000 0.263 431 G C 1.094 175.758 174.900 -0.394 0.000 1.012 431 G CA 0.420 45.280 45.100 -0.400 0.000 0.749 431 G HN 1.800 nan 8.290 nan 0.000 0.512 432 G N -2.868 105.642 108.800 -0.482 0.000 2.160 432 G HA2 0.001 3.962 3.960 0.002 0.000 0.251 432 G HA3 0.001 3.962 3.960 0.002 0.000 0.251 432 G C 0.335 175.231 174.900 -0.008 0.000 1.008 432 G CA 0.613 45.614 45.100 -0.165 0.000 0.724 432 G HN 1.625 nan 8.290 nan 0.000 0.514 433 V N 0.571 120.480 119.914 -0.010 0.000 2.532 433 V HA 0.765 4.886 4.120 0.002 0.000 0.295 433 V C 1.016 177.237 176.094 0.212 0.000 1.041 433 V CA -0.382 61.972 62.300 0.090 0.000 0.926 433 V CB 1.608 33.481 31.823 0.084 0.000 0.992 433 V HN 1.079 nan 8.190 nan 0.000 0.457 434 A N 3.731 126.653 122.820 0.170 0.000 2.462 434 A HA 0.647 4.968 4.320 0.002 0.000 0.243 434 A C 0.765 178.414 177.584 0.109 0.000 1.076 434 A CA 0.309 52.440 52.037 0.158 0.000 0.773 434 A CB 0.104 19.161 19.000 0.095 0.000 1.010 434 A HN 1.423 nan 8.150 nan 0.000 0.493 435 A N 1.485 124.279 122.820 -0.042 0.000 2.492 435 A HA 0.331 4.652 4.320 0.002 0.000 0.236 435 A C 0.647 178.051 177.584 -0.300 0.000 1.078 435 A CA 0.247 51.968 52.037 -0.526 0.000 0.773 435 A CB -0.097 18.555 19.000 -0.581 0.000 1.023 435 A HN 0.943 nan 8.150 nan 0.000 0.504 436 E N 0.778 120.746 120.200 -0.387 0.000 2.415 436 E HA 0.284 4.635 4.350 0.002 0.000 0.263 436 E C 0.483 177.017 176.600 -0.110 0.000 0.995 436 E CA 0.217 56.489 56.400 -0.214 0.000 0.915 436 E CB 0.342 29.883 29.700 -0.266 0.000 0.951 436 E HN 0.712 nan 8.360 nan 0.000 0.449 437 G N 3.624 112.401 108.800 -0.038 0.000 2.356 437 G HA2 0.091 4.052 3.960 0.002 0.000 0.298 437 G HA3 0.091 4.052 3.960 0.002 0.000 0.298 437 G C 0.229 175.155 174.900 0.044 0.000 1.145 437 G CA -0.494 44.610 45.100 0.007 0.000 0.850 437 G HN 0.642 nan 8.290 nan 0.000 0.487 438 E N 0.929 121.180 120.200 0.086 0.000 2.447 438 E HA 0.170 4.521 4.350 0.002 0.000 0.195 438 E C 0.623 177.248 176.600 0.042 0.000 1.028 438 E CA 0.377 56.868 56.400 0.152 0.000 0.876 438 E CB 0.491 30.407 29.700 0.360 0.000 0.885 438 E HN 0.381 nan 8.360 nan 0.000 0.500 439 L N 0.522 121.709 121.223 -0.060 0.000 2.469 439 L HA 0.371 4.712 4.340 0.002 0.000 0.256 439 L C -0.726 176.102 176.870 -0.071 0.000 1.006 439 L CA -0.965 53.798 54.840 -0.129 0.000 0.832 439 L CB 1.950 43.808 42.059 -0.334 0.000 1.421 439 L HN -0.260 nan 8.230 nan 0.000 0.410 440 N N 1.174 119.845 118.700 -0.048 0.000 2.444 440 N HA 0.468 5.209 4.740 0.002 0.000 0.262 440 N C -1.096 174.383 175.510 -0.052 0.000 0.974 440 N CA -0.220 52.809 53.050 -0.035 0.000 0.933 440 N CB 2.244 40.728 38.487 -0.006 0.000 1.137 440 N HN 0.148 nan 8.380 nan 0.000 0.498 441 V N 1.119 120.976 119.914 -0.095 0.000 2.495 441 V HA 0.745 4.866 4.120 0.002 0.000 0.298 441 V C -0.110 175.850 176.094 -0.223 0.000 1.031 441 V CA -0.936 61.285 62.300 -0.132 0.000 0.871 441 V CB 1.521 33.261 31.823 -0.139 0.000 0.988 441 V HN 0.707 nan 8.190 nan 0.000 0.432 442 A N 6.039 128.720 122.820 -0.231 0.000 2.318 442 A HA 0.784 5.105 4.320 0.002 0.000 0.317 442 A C -0.649 176.715 177.584 -0.367 0.000 1.159 442 A CA -0.554 51.286 52.037 -0.328 0.000 0.799 442 A CB 0.668 19.509 19.000 -0.265 0.000 1.194 442 A HN 0.636 nan 8.150 nan 0.000 0.479 443 I N 3.171 123.415 120.570 -0.544 0.000 2.352 443 I HA 0.182 4.353 4.170 0.002 0.000 0.290 443 I C -0.424 175.504 176.117 -0.315 0.000 1.036 443 I CA -0.238 60.802 61.300 -0.433 0.000 1.336 443 I CB 1.060 38.708 38.000 -0.587 0.000 1.407 443 I HN 0.587 nan 8.210 nan 0.000 0.497 444 L N 9.129 130.209 121.223 -0.238 0.000 2.298 444 L HA 0.462 4.803 4.340 0.002 0.000 0.284 444 L C -0.494 176.162 176.870 -0.358 0.000 1.013 444 L CA 0.103 54.747 54.840 -0.325 0.000 0.824 444 L CB 0.645 42.557 42.059 -0.244 0.000 1.221 444 L HN 0.788 nan 8.230 nan 0.000 0.418 445 N N 1.162 119.555 118.700 -0.513 0.000 3.316 445 N HA 0.363 5.104 4.740 0.002 0.000 0.300 445 N C 0.040 175.237 175.510 -0.521 0.000 1.567 445 N CA -0.282 52.536 53.050 -0.387 0.000 0.821 445 N CB 0.579 39.050 38.487 -0.026 0.000 1.748 445 N HN 0.160 nan 8.380 nan 0.000 0.603 446 S N -1.362 114.206 115.700 -0.220 0.000 2.423 446 S HA 0.000 4.472 4.470 0.002 0.000 0.231 446 S C 0.756 175.115 174.600 -0.402 0.000 1.014 446 S CA 0.919 58.948 58.200 -0.285 0.000 0.965 446 S CB -0.490 62.377 63.200 -0.554 0.000 0.785 446 S HN 0.574 nan 8.310 nan 0.000 0.495 447 W N 1.319 122.495 121.300 -0.207 0.000 2.525 447 W HA 0.326 4.987 4.660 0.002 0.000 0.288 447 W C 1.836 178.251 176.519 -0.173 0.000 1.200 447 W CA 0.512 57.743 57.345 -0.190 0.000 1.349 447 W CB -0.735 28.590 29.460 -0.225 0.000 1.102 447 W HN 0.464 nan 8.180 nan 0.000 0.558 448 G N 0.942 109.768 108.800 0.044 0.000 2.547 448 G HA2 -0.481 3.480 3.960 0.002 0.000 0.271 448 G HA3 -0.481 3.480 3.960 0.002 0.000 0.271 448 G C 0.902 175.795 174.900 -0.011 0.000 1.209 448 G CA 0.826 45.917 45.100 -0.015 0.000 0.959 448 G HN 0.218 nan 8.290 nan 0.000 0.563 449 K N 0.541 120.934 120.400 -0.011 0.000 2.103 449 K HA -0.115 4.206 4.320 0.002 0.000 0.207 449 K C 2.848 179.385 176.600 -0.105 0.000 1.048 449 K CA 2.529 58.791 56.287 -0.040 0.000 0.930 449 K CB -0.346 32.171 32.500 0.029 0.000 0.716 449 K HN 0.669 nan 8.250 nan 0.000 0.444 450 M N -0.801 118.784 119.600 -0.025 0.000 2.358 450 M HA -0.071 4.410 4.480 0.002 0.000 0.264 450 M C 0.575 176.781 176.300 -0.157 0.000 1.064 450 M CA 1.401 56.692 55.300 -0.016 0.000 1.093 450 M CB 0.053 32.667 32.600 0.023 0.000 1.401 450 M HN -0.106 nan 8.290 nan 0.000 0.440 451 R N 1.678 122.004 120.500 -0.290 0.000 2.935 451 R HA 0.389 4.731 4.340 0.002 0.000 0.354 451 R C -0.551 175.315 176.300 -0.724 0.000 1.206 451 R CA -0.115 55.701 56.100 -0.472 0.000 1.082 451 R CB 0.075 30.018 30.300 -0.596 0.000 1.431 451 R HN 0.296 nan 8.270 nan 0.000 0.582 452 S N 0.496 115.584 115.700 -1.020 0.000 2.575 452 S HA -0.084 4.387 4.470 0.002 0.000 0.295 452 S C 0.189 173.994 174.600 -1.326 0.000 1.267 452 S CA 0.077 57.210 58.200 -1.778 0.000 1.074 452 S CB 0.037 62.257 63.200 -1.632 0.000 0.829 452 S HN 0.606 nan 8.310 nan 0.000 0.497 453 W N 0.557 120.899 121.300 -1.595 0.000 3.207 453 W HA -0.286 4.375 4.660 0.002 0.000 0.291 453 W C 0.852 177.191 176.519 -0.299 0.000 1.105 453 W CA 0.212 57.205 57.345 -0.586 0.000 0.612 453 W CB -1.974 27.317 29.460 -0.282 0.000 2.140 453 W HN 0.620 nan 8.180 nan 0.000 1.420 454 M N -0.619 118.822 119.600 -0.265 0.000 2.306 454 M HA 0.322 4.803 4.480 0.002 0.000 0.292 454 M C 1.385 177.577 176.300 -0.179 0.000 1.018 454 M CA 0.380 55.676 55.300 -0.006 0.000 1.007 454 M CB 0.328 32.891 32.600 -0.061 0.000 1.510 454 M HN 0.088 nan 8.290 nan 0.000 0.537 455 A N 0.157 122.727 122.820 -0.416 0.000 2.462 455 A HA 0.352 4.673 4.320 0.002 0.000 0.243 455 A C 0.038 177.067 177.584 -0.924 0.000 1.076 455 A CA 0.213 51.649 52.037 -1.003 0.000 0.773 455 A CB -0.376 17.811 19.000 -1.354 0.000 1.010 455 A HN 0.608 nan 8.150 nan 0.000 0.493 456 F N -0.744 118.478 119.950 -1.214 0.000 2.517 456 F HA -0.195 4.333 4.527 0.002 0.000 0.434 456 F C 0.993 177.007 175.800 0.356 0.000 0.564 456 F CA 1.032 58.722 58.000 -0.516 0.000 1.414 456 F CB -2.471 36.455 39.000 -0.123 0.000 2.009 456 F HN 0.538 nan 8.300 nan 0.000 0.274 457 T N 0.955 115.796 114.554 0.479 0.000 2.897 457 T HA 0.536 4.887 4.350 0.002 0.000 0.294 457 T C 1.146 176.246 174.700 0.666 0.000 1.004 457 T CA 0.186 62.587 62.100 0.502 0.000 1.106 457 T CB 2.224 71.385 68.868 0.487 0.000 0.949 457 T HN 0.012 nan 8.240 nan 0.000 0.520 458 V N 1.736 121.877 119.914 0.379 0.000 3.204 458 V HA 0.472 4.593 4.120 0.002 0.000 0.218 458 V C 0.988 177.148 176.094 0.110 0.000 1.159 458 V CA 0.075 62.555 62.300 0.299 0.000 1.282 458 V CB -0.452 31.466 31.823 0.158 0.000 1.225 458 V HN 0.916 nan 8.190 nan 0.000 0.509 459 A N -0.079 122.735 122.820 -0.010 0.000 2.310 459 A HA 0.405 4.726 4.320 0.002 0.000 0.299 459 A C 0.023 177.441 177.584 -0.278 0.000 1.147 459 A CA -0.230 51.733 52.037 -0.123 0.000 0.818 459 A CB -0.179 18.765 19.000 -0.094 0.000 1.096 459 A HN 0.577 nan 8.150 nan 0.000 0.495 460 H N 2.033 120.720 119.070 -0.639 0.000 3.125 460 H HA 0.151 4.708 4.556 0.002 0.000 0.310 460 H C 1.191 176.185 175.328 -0.557 0.000 0.980 460 H CA 1.473 56.963 56.048 -0.930 0.000 1.422 460 H CB 0.348 29.200 29.762 -1.515 0.000 1.432 460 H HN 1.413 nan 8.280 nan 0.000 0.577 461 A N 4.586 126.886 122.820 -0.867 0.000 2.826 461 A HA -0.202 4.119 4.320 0.002 0.000 0.274 461 A C 0.230 177.600 177.584 -0.356 0.000 1.443 461 A CA 1.170 52.870 52.037 -0.562 0.000 0.833 461 A CB -1.947 16.778 19.000 -0.458 0.000 1.023 461 A HN 0.668 nan 8.150 nan 0.000 0.600 462 L N 0.361 121.367 121.223 -0.362 0.000 2.678 462 L HA 0.298 4.639 4.340 0.002 0.000 0.250 462 L C -2.040 174.680 176.870 -0.249 0.000 1.455 462 L CA -1.609 53.085 54.840 -0.244 0.000 0.823 462 L CB 1.076 43.033 42.059 -0.170 0.000 1.107 462 L HN 0.243 nan 8.230 nan 0.000 0.514 463 P HA 0.139 nan 4.420 nan 0.000 0.269 463 P C -0.994 176.253 177.300 -0.088 0.000 1.209 463 P CA 0.033 62.985 63.100 -0.246 0.000 0.776 463 P CB 1.039 32.564 31.700 -0.291 0.000 0.876 464 N N 0.127 118.825 118.700 -0.004 0.000 3.229 464 N HA 0.205 4.946 4.740 0.002 0.000 0.315 464 N C 0.793 176.339 175.510 0.061 0.000 1.520 464 N CA -0.977 52.059 53.050 -0.024 0.000 0.769 464 N CB 0.513 38.977 38.487 -0.039 0.000 1.766 464 N HN 0.245 nan 8.380 nan 0.000 0.618 465 K N -0.784 119.623 120.400 0.012 0.000 2.074 465 K HA -0.216 4.105 4.320 0.002 0.000 0.209 465 K C 1.068 177.819 176.600 0.251 0.000 1.048 465 K CA 1.943 58.289 56.287 0.099 0.000 0.926 465 K CB -0.078 32.444 32.500 0.037 0.000 0.713 465 K HN 0.512 nan 8.250 nan 0.000 0.444 466 Q N -0.713 119.166 119.800 0.133 0.000 2.311 466 Q HA -0.036 4.305 4.340 0.002 0.000 0.203 466 Q C 1.741 177.850 176.000 0.181 0.000 0.954 466 Q CA 1.619 57.485 55.803 0.104 0.000 0.885 466 Q CB 0.474 29.190 28.738 -0.036 0.000 0.963 466 Q HN 0.609 nan 8.270 nan 0.000 0.471 467 T N -3.549 111.145 114.554 0.234 0.000 2.969 467 T HA -0.009 4.342 4.350 0.002 0.000 0.250 467 T C 1.658 176.544 174.700 0.311 0.000 1.021 467 T CA 0.077 62.409 62.100 0.387 0.000 1.003 467 T CB -0.448 68.672 68.868 0.420 0.000 1.040 467 T HN 0.404 nan 8.240 nan 0.000 0.492 468 Y N 1.850 122.199 120.300 0.081 0.000 2.421 468 Y HA 0.229 4.780 4.550 0.002 0.000 0.292 468 Y C 2.129 178.017 175.900 -0.019 0.000 1.136 468 Y CA 0.613 58.755 58.100 0.069 0.000 1.255 468 Y CB -0.593 37.890 38.460 0.038 0.000 0.991 468 Y HN 0.144 nan 8.280 nan 0.000 0.552 469 S N -0.166 115.019 115.700 -0.859 0.000 2.474 469 S HA -0.070 4.402 4.470 0.002 0.000 0.235 469 S C 0.787 174.864 174.600 -0.872 0.000 0.997 469 S CA 1.192 58.808 58.200 -0.973 0.000 0.949 469 S CB -0.390 62.188 63.200 -1.036 0.000 0.766 469 S HN 0.641 nan 8.310 nan 0.000 0.517 470 Y N -1.886 118.190 120.300 -0.375 0.000 2.539 470 Y HA 0.276 4.827 4.550 0.002 0.000 0.284 470 Y C 1.910 177.414 175.900 -0.659 0.000 1.134 470 Y CA -0.704 56.940 58.100 -0.761 0.000 1.251 470 Y CB -0.828 36.750 38.460 -1.470 0.000 1.260 470 Y HN 0.176 nan 8.280 nan 0.000 0.528 471 Y N 1.236 121.386 120.300 -0.250 0.000 2.241 471 Y HA -0.168 4.383 4.550 0.002 0.000 0.286 471 Y C 2.392 178.318 175.900 0.042 0.000 1.166 471 Y CA 1.520 59.643 58.100 0.038 0.000 1.203 471 Y CB -0.643 37.897 38.460 0.133 0.000 0.977 471 Y HN 0.127 nan 8.280 nan 0.000 0.529 472 G N 0.028 108.865 108.800 0.062 0.000 2.448 472 G HA2 -0.247 3.714 3.960 0.002 0.000 0.219 472 G HA3 -0.247 3.714 3.960 0.002 0.000 0.219 472 G C 1.704 176.617 174.900 0.021 0.000 1.127 472 G CA 1.156 46.294 45.100 0.065 0.000 0.766 472 G HN 0.506 nan 8.290 nan 0.000 0.552 473 I N -0.076 120.476 120.570 -0.031 0.000 2.127 473 I HA -0.181 3.990 4.170 0.002 0.000 0.241 473 I C 2.553 178.699 176.117 0.047 0.000 1.075 473 I CA 0.696 62.002 61.300 0.010 0.000 1.334 473 I CB -0.250 37.763 38.000 0.022 0.000 1.040 473 I HN 0.088 nan 8.210 nan 0.000 0.405 474 L N 0.319 121.564 121.223 0.037 0.000 2.056 474 L HA -0.183 4.158 4.340 0.002 0.000 0.207 474 L C 2.512 179.391 176.870 0.015 0.000 1.078 474 L CA 1.690 56.603 54.840 0.121 0.000 0.749 474 L CB -0.926 41.190 42.059 0.094 0.000 0.901 474 L HN 0.189 nan 8.230 nan 0.000 0.433 475 E N -0.509 119.531 120.200 -0.266 0.000 2.085 475 E HA -0.172 4.180 4.350 0.002 0.000 0.194 475 E C 2.275 178.687 176.600 -0.313 0.000 0.994 475 E CA 1.660 57.810 56.400 -0.416 0.000 0.801 475 E CB -0.134 29.225 29.700 -0.568 0.000 0.743 475 E HN 0.364 nan 8.360 nan 0.000 0.453 476 S N 0.089 115.790 115.700 0.001 0.000 2.353 476 S HA -0.159 4.312 4.470 0.002 0.000 0.222 476 S C 1.951 176.619 174.600 0.114 0.000 1.035 476 S CA 1.417 59.734 58.200 0.195 0.000 1.025 476 S CB -0.438 62.890 63.200 0.213 0.000 0.902 476 S HN 0.279 nan 8.310 nan 0.000 0.440 477 L N 1.934 123.235 121.223 0.130 0.000 2.191 477 L HA -0.113 4.228 4.340 0.002 0.000 0.212 477 L C 2.741 179.738 176.870 0.213 0.000 1.103 477 L CA 1.225 56.180 54.840 0.192 0.000 0.769 477 L CB -0.839 41.363 42.059 0.238 0.000 0.908 477 L HN 0.448 nan 8.230 nan 0.000 0.438 478 S N -0.252 115.493 115.700 0.075 0.000 2.383 478 S HA -0.146 4.325 4.470 0.002 0.000 0.229 478 S C 1.744 176.224 174.600 -0.199 0.000 1.030 478 S CA 1.280 59.307 58.200 -0.289 0.000 1.002 478 S CB -0.667 62.258 63.200 -0.459 0.000 0.829 478 S HN 0.443 nan 8.310 nan 0.000 0.467 479 G N 0.036 108.776 108.800 -0.101 0.000 3.324 479 G HA2 0.417 4.378 3.960 0.002 0.000 0.251 479 G HA3 0.417 4.378 3.960 0.002 0.000 0.251 479 G C 0.077 174.976 174.900 -0.003 0.000 1.072 479 G CA -0.526 44.534 45.100 -0.067 0.000 0.787 479 G HN 0.478 nan 8.290 nan 0.000 0.537 480 M N 1.635 121.261 119.600 0.043 0.000 2.242 480 M HA 0.263 4.744 4.480 0.002 0.000 0.344 480 M C 1.334 177.675 176.300 0.068 0.000 1.140 480 M CA -0.652 54.693 55.300 0.075 0.000 1.160 480 M CB 0.779 33.444 32.600 0.108 0.000 1.491 480 M HN 0.213 nan 8.290 nan 0.000 0.459 481 R N 3.255 123.803 120.500 0.079 0.000 4.054 481 R HA 0.230 4.571 4.340 0.002 0.000 0.227 481 R C -0.867 175.487 176.300 0.091 0.000 1.902 481 R CA -0.306 55.835 56.100 0.069 0.000 1.590 481 R CB -1.374 28.972 30.300 0.078 0.000 1.245 481 R HN 0.452 nan 8.270 nan 0.000 0.647 482 V N -2.647 117.307 119.914 0.067 0.000 3.102 482 V HA 0.483 4.604 4.120 0.002 0.000 0.312 482 V C -0.962 175.153 176.094 0.036 0.000 1.135 482 V CA -1.481 60.839 62.300 0.033 0.000 1.022 482 V CB 2.218 34.037 31.823 -0.007 0.000 1.056 482 V HN 0.153 nan 8.190 nan 0.000 0.436 483 N N 1.293 120.001 118.700 0.014 0.000 2.419 483 N HA 0.565 5.306 4.740 0.002 0.000 0.264 483 N C -0.756 174.746 175.510 -0.013 0.000 1.031 483 N CA -0.122 52.943 53.050 0.025 0.000 0.951 483 N CB 1.681 40.176 38.487 0.014 0.000 1.101 483 N HN 0.660 nan 8.380 nan 0.000 0.488 484 V N 3.288 123.209 119.914 0.011 0.000 2.459 484 V HA 0.516 4.637 4.120 0.002 0.000 0.295 484 V C 0.371 176.314 176.094 -0.253 0.000 1.029 484 V CA -0.790 61.411 62.300 -0.164 0.000 0.874 484 V CB 1.422 33.166 31.823 -0.131 0.000 0.985 484 V HN 0.673 nan 8.190 nan 0.000 0.438 485 R N 3.232 123.468 120.500 -0.440 0.000 2.888 485 R HA 0.779 5.120 4.340 0.002 0.000 0.266 485 R C -1.859 173.994 176.300 -0.746 0.000 1.020 485 R CA -0.749 55.131 56.100 -0.366 0.000 0.963 485 R CB 1.853 32.050 30.300 -0.173 0.000 1.197 485 R HN 0.376 nan 8.270 nan 0.000 0.481 486 F N 1.868 121.643 119.950 -0.293 0.000 2.493 486 F HA 0.526 5.054 4.527 0.002 0.000 0.329 486 F C 0.108 175.766 175.800 -0.238 0.000 1.126 486 F CA -0.888 56.923 58.000 -0.315 0.000 0.937 486 F CB 1.902 40.664 39.000 -0.397 0.000 1.146 486 F HN 0.476 nan 8.300 nan 0.000 0.442 487 I N -0.302 120.182 120.570 -0.143 0.000 2.934 487 I HA 0.868 5.040 4.170 0.002 0.000 0.306 487 I C -0.578 175.388 176.117 -0.251 0.000 1.110 487 I CA -0.843 60.355 61.300 -0.170 0.000 1.019 487 I CB 2.373 40.251 38.000 -0.205 0.000 1.227 487 I HN 0.499 nan 8.210 nan 0.000 0.434 488 S N 2.135 117.687 115.700 -0.247 0.000 2.704 488 S HA 0.547 5.018 4.470 0.002 0.000 0.305 488 S C 0.382 174.735 174.600 -0.412 0.000 1.107 488 S CA -0.620 57.368 58.200 -0.353 0.000 0.993 488 S CB 1.320 64.409 63.200 -0.185 0.000 1.110 488 S HN 0.601 nan 8.310 nan 0.000 0.534 489 F N 1.030 120.850 119.950 -0.216 0.000 2.171 489 F HA -0.019 4.509 4.527 0.002 0.000 0.300 489 F C 2.176 177.835 175.800 -0.234 0.000 1.090 489 F CA 1.177 59.010 58.000 -0.278 0.000 1.293 489 F CB -0.667 38.106 39.000 -0.380 0.000 1.013 489 F HN 0.525 nan 8.300 nan 0.000 0.486 490 D N 0.356 120.733 120.400 -0.039 0.000 2.123 490 D HA -0.167 4.475 4.640 0.002 0.000 0.196 490 D C 1.808 178.056 176.300 -0.087 0.000 0.992 490 D CA 1.505 55.460 54.000 -0.075 0.000 0.833 490 D CB -0.462 40.296 40.800 -0.070 0.000 0.954 490 D HN 0.234 nan 8.370 nan 0.000 0.455 491 D N 0.344 120.704 120.400 -0.066 0.000 2.116 491 D HA -0.119 4.522 4.640 0.002 0.000 0.193 491 D C 2.328 178.605 176.300 -0.038 0.000 0.998 491 D CA 0.578 54.575 54.000 -0.004 0.000 0.836 491 D CB -0.391 40.392 40.800 -0.028 0.000 0.951 491 D HN 0.085 nan 8.370 nan 0.000 0.449 492 V N 0.967 120.823 119.914 -0.096 0.000 2.358 492 V HA -0.188 3.933 4.120 0.002 0.000 0.246 492 V C 2.651 178.682 176.094 -0.105 0.000 1.047 492 V CA 1.044 63.280 62.300 -0.107 0.000 1.035 492 V CB -0.419 31.326 31.823 -0.131 0.000 0.658 492 V HN 0.180 nan 8.190 nan 0.000 0.452 493 L N -0.082 121.070 121.223 -0.118 0.000 2.093 493 L HA -0.131 4.211 4.340 0.002 0.000 0.208 493 L C 2.618 179.384 176.870 -0.174 0.000 1.085 493 L CA 1.523 56.282 54.840 -0.134 0.000 0.755 493 L CB -0.641 41.337 42.059 -0.136 0.000 0.904 493 L HN 0.366 nan 8.230 nan 0.000 0.435 494 A N -1.315 121.346 122.820 -0.265 0.000 1.930 494 A HA -0.113 4.208 4.320 0.002 0.000 0.215 494 A C 1.798 179.044 177.584 -0.563 0.000 1.176 494 A CA 1.057 52.798 52.037 -0.493 0.000 0.632 494 A CB -0.273 18.269 19.000 -0.763 0.000 0.819 494 A HN 0.461 nan 8.150 nan 0.000 0.445 495 H N -1.774 117.265 119.070 -0.052 0.000 3.058 495 H HA 0.350 4.908 4.556 0.002 0.000 0.266 495 H C 1.257 176.554 175.328 -0.051 0.000 1.135 495 H CA 0.385 56.406 56.048 -0.046 0.000 1.174 495 H CB 0.184 29.918 29.762 -0.047 0.000 1.581 495 H HN 0.652 nan 8.280 nan 0.000 0.553 496 G N 1.648 110.453 108.800 0.008 0.000 2.693 496 G HA2 -0.256 3.705 3.960 0.002 0.000 0.226 496 G HA3 -0.256 3.705 3.960 0.002 0.000 0.226 496 G C -0.454 174.402 174.900 -0.073 0.000 1.354 496 G CA -0.320 44.766 45.100 -0.024 0.000 0.873 496 G HN 0.185 nan 8.290 nan 0.000 0.562 497 I N 1.172 121.660 120.570 -0.137 0.000 2.321 497 I HA 0.223 4.394 4.170 0.002 0.000 0.291 497 I C 0.257 176.272 176.117 -0.170 0.000 0.998 497 I CA -0.598 60.524 61.300 -0.296 0.000 1.227 497 I CB 1.411 38.972 38.000 -0.731 0.000 1.368 497 I HN 0.425 nan 8.210 nan 0.000 0.466 498 D N 3.930 124.248 120.400 -0.138 0.000 2.488 498 D HA -0.047 4.594 4.640 0.002 0.000 0.238 498 D C 1.238 177.547 176.300 0.015 0.000 1.138 498 D CA 0.304 54.274 54.000 -0.051 0.000 0.873 498 D CB 1.152 41.916 40.800 -0.061 0.000 1.183 498 D HN 0.656 nan 8.370 nan 0.000 0.458 499 S N 1.752 117.489 115.700 0.062 0.000 2.555 499 S HA -0.156 4.315 4.470 0.002 0.000 0.230 499 S C 1.015 175.691 174.600 0.126 0.000 0.978 499 S CA 0.494 58.772 58.200 0.129 0.000 0.934 499 S CB 0.106 63.365 63.200 0.099 0.000 0.766 499 S HN 0.560 nan 8.310 nan 0.000 0.533 500 D N 0.953 121.402 120.400 0.082 0.000 2.349 500 D HA 0.099 4.740 4.640 0.002 0.000 0.215 500 D C 0.459 176.812 176.300 0.089 0.000 1.016 500 D CA -0.292 53.752 54.000 0.073 0.000 0.870 500 D CB -0.441 40.382 40.800 0.039 0.000 0.917 500 D HN 0.458 nan 8.370 nan 0.000 0.524 501 I N 1.615 122.256 120.570 0.118 0.000 2.496 501 I HA -0.013 4.159 4.170 0.002 0.000 0.285 501 I C 0.953 177.249 176.117 0.298 0.000 1.080 501 I CA -0.200 61.178 61.300 0.130 0.000 1.404 501 I CB 1.064 39.072 38.000 0.013 0.000 1.403 501 I HN -0.220 nan 8.210 nan 0.000 0.539 502 D N 4.714 125.231 120.400 0.194 0.000 2.262 502 D HA 0.098 4.740 4.640 0.002 0.000 0.212 502 D C 0.059 176.513 176.300 0.256 0.000 0.964 502 D CA 1.202 55.305 54.000 0.172 0.000 0.875 502 D CB 0.740 41.556 40.800 0.027 0.000 0.996 502 D HN 0.190 nan 8.370 nan 0.000 0.497 503 V N 1.516 121.572 119.914 0.236 0.000 2.760 503 V HA 0.372 4.494 4.120 0.002 0.000 0.309 503 V C -0.366 175.829 176.094 0.169 0.000 1.077 503 V CA -0.756 61.686 62.300 0.237 0.000 0.910 503 V CB 2.910 34.763 31.823 0.049 0.000 1.008 503 V HN -0.097 nan 8.190 nan 0.000 0.424 504 I N 4.720 125.421 120.570 0.218 0.000 2.412 504 I HA 0.525 4.697 4.170 0.002 0.000 0.296 504 I C -0.705 175.312 176.117 -0.168 0.000 0.987 504 I CA -0.455 60.842 61.300 -0.006 0.000 1.180 504 I CB 1.776 39.800 38.000 0.040 0.000 1.340 504 I HN 0.443 nan 8.210 nan 0.000 0.455 505 I N 6.270 126.705 120.570 -0.226 0.000 2.404 505 I HA 0.327 4.498 4.170 0.002 0.000 0.293 505 I C -0.274 175.695 176.117 -0.247 0.000 0.992 505 I CA -0.475 60.647 61.300 -0.295 0.000 1.149 505 I CB 1.574 39.459 38.000 -0.192 0.000 1.315 505 I HN 0.570 nan 8.210 nan 0.000 0.446 506 N N 4.645 123.154 118.700 -0.319 0.000 2.399 506 N HA 0.639 5.380 4.740 0.002 0.000 0.284 506 N C -1.098 174.390 175.510 -0.036 0.000 1.025 506 N CA -0.224 52.793 53.050 -0.054 0.000 0.885 506 N CB 2.338 40.922 38.487 0.161 0.000 1.339 506 N HN 0.840 nan 8.380 nan 0.000 0.487 507 G N 0.755 109.615 108.800 0.100 0.000 2.659 507 G HA2 0.783 4.744 3.960 0.002 0.000 0.296 507 G HA3 0.783 4.744 3.960 0.002 0.000 0.296 507 G C -0.669 174.278 174.900 0.079 0.000 1.369 507 G CA -0.282 44.882 45.100 0.107 0.000 0.937 507 G HN 0.790 nan 8.290 nan 0.000 0.485 508 G N 0.251 108.876 108.800 -0.290 0.000 2.361 508 G HA2 0.443 4.404 3.960 0.002 0.000 0.331 508 G HA3 0.443 4.404 3.960 0.002 0.000 0.331 508 G C -3.537 171.171 174.900 -0.319 0.000 1.324 508 G CA -0.503 44.143 45.100 -0.756 0.000 0.984 508 G HN 0.682 nan 8.290 nan 0.000 0.586 509 P HA 0.489 nan 4.420 nan 0.000 0.278 509 P C 0.450 177.869 177.300 0.198 0.000 1.258 509 P CA -0.610 62.613 63.100 0.205 0.000 0.811 509 P CB 1.246 33.147 31.700 0.336 0.000 1.063 510 V N 1.145 121.203 119.914 0.241 0.000 2.901 510 V HA -0.053 4.068 4.120 0.002 0.000 0.307 510 V C 0.483 176.679 176.094 0.170 0.000 1.084 510 V CA 1.095 63.505 62.300 0.184 0.000 1.184 510 V CB -1.042 30.973 31.823 0.321 0.000 0.941 510 V HN 0.750 nan 8.190 nan 0.000 0.493 511 D N 2.033 122.494 120.400 0.103 0.000 2.800 511 D HA -0.139 4.502 4.640 0.002 0.000 0.232 511 D C 0.051 176.410 176.300 0.098 0.000 1.137 511 D CA 1.407 55.458 54.000 0.085 0.000 0.718 511 D CB -0.844 40.023 40.800 0.111 0.000 1.084 511 D HN 1.153 nan 8.370 nan 0.000 0.432 512 T N -5.249 109.360 114.554 0.092 0.000 2.916 512 T HA 0.763 5.114 4.350 0.002 0.000 0.292 512 T C 1.382 175.999 174.700 -0.138 0.000 1.064 512 T CA -0.377 61.764 62.100 0.067 0.000 1.011 512 T CB 1.831 70.857 68.868 0.263 0.000 1.152 512 T HN 0.037 nan 8.240 nan 0.000 0.510 513 A N 0.125 122.700 122.820 -0.408 0.000 2.076 513 A HA 0.116 4.437 4.320 0.002 0.000 0.220 513 A C 1.539 178.753 177.584 -0.617 0.000 1.160 513 A CA 1.143 52.791 52.037 -0.648 0.000 0.653 513 A CB -1.117 17.340 19.000 -0.905 0.000 0.801 513 A HN 0.741 nan 8.150 nan 0.000 0.455 514 F N 0.279 120.166 119.950 -0.104 0.000 2.317 514 F HA -0.019 4.509 4.527 0.002 0.000 0.293 514 F C 2.793 178.623 175.800 0.050 0.000 1.085 514 F CA 1.466 59.375 58.000 -0.152 0.000 1.390 514 F CB -1.043 37.728 39.000 -0.381 0.000 1.077 514 F HN 0.307 nan 8.300 nan 0.000 0.517 515 T N -3.390 111.288 114.554 0.207 0.000 2.894 515 T HA 0.401 4.752 4.350 0.002 0.000 0.258 515 T C 1.974 176.971 174.700 0.496 0.000 1.043 515 T CA 1.177 63.449 62.100 0.286 0.000 1.141 515 T CB -0.252 68.693 68.868 0.130 0.000 0.873 515 T HN 0.392 nan 8.240 nan 0.000 0.449 516 G N 0.338 109.271 108.800 0.222 0.000 2.480 516 G HA2 0.330 4.291 3.960 0.002 0.000 0.193 516 G HA3 0.330 4.291 3.960 0.002 0.000 0.193 516 G C 0.989 175.758 174.900 -0.217 0.000 1.004 516 G CA 0.388 45.455 45.100 -0.055 0.000 0.696 516 G HN 1.540 nan 8.290 nan 0.000 0.478 517 G N 0.687 109.464 108.800 -0.038 0.000 2.528 517 G HA2 -0.215 3.746 3.960 0.002 0.000 0.262 517 G HA3 -0.215 3.746 3.960 0.002 0.000 0.262 517 G C 0.377 175.194 174.900 -0.137 0.000 1.200 517 G CA 0.853 45.904 45.100 -0.081 0.000 0.951 517 G HN 0.705 nan 8.290 nan 0.000 0.566 518 D N 0.145 120.433 120.400 -0.187 0.000 2.371 518 D HA 0.069 4.710 4.640 0.002 0.000 0.221 518 D C 2.360 178.453 176.300 -0.345 0.000 0.986 518 D CA 0.891 54.753 54.000 -0.229 0.000 0.899 518 D CB 0.064 40.750 40.800 -0.191 0.000 0.902 518 D HN 0.412 nan 8.370 nan 0.000 0.530 519 V N -0.561 119.069 119.914 -0.472 0.000 2.568 519 V HA -0.216 3.905 4.120 0.002 0.000 0.253 519 V C 1.352 177.019 176.094 -0.712 0.000 1.072 519 V CA 1.415 63.310 62.300 -0.674 0.000 1.084 519 V CB -0.446 30.758 31.823 -1.032 0.000 0.676 519 V HN 0.327 nan 8.190 nan 0.000 0.469 520 W N 0.184 121.199 121.300 -0.476 0.000 2.825 520 W HA -0.025 4.636 4.660 0.002 0.000 0.243 520 W C 2.337 178.623 176.519 -0.389 0.000 1.293 520 W CA 0.942 58.060 57.345 -0.378 0.000 1.403 520 W CB -0.303 28.972 29.460 -0.308 0.000 1.134 520 W HN 0.445 nan 8.180 nan 0.000 0.666 521 T N -3.009 111.316 114.554 -0.382 0.000 3.107 521 T HA 0.017 4.369 4.350 0.002 0.000 0.249 521 T C 0.648 175.069 174.700 -0.466 0.000 1.096 521 T CA -0.209 61.425 62.100 -0.777 0.000 1.012 521 T CB -0.306 67.733 68.868 -1.381 0.000 0.977 521 T HN -0.135 nan 8.240 nan 0.000 0.527 522 N N 3.242 121.745 118.700 -0.327 0.000 2.401 522 N HA 0.190 4.931 4.740 0.002 0.000 0.255 522 N C -1.505 173.917 175.510 -0.146 0.000 1.110 522 N CA -2.319 50.593 53.050 -0.231 0.000 0.949 522 N CB 1.779 40.107 38.487 -0.265 0.000 1.110 522 N HN 0.071 nan 8.380 nan 0.000 0.490 523 P HA -0.151 nan 4.420 nan 0.000 0.220 523 P C 1.015 178.300 177.300 -0.026 0.000 1.148 523 P CA 1.033 64.125 63.100 -0.014 0.000 0.803 523 P CB 0.465 32.176 31.700 0.019 0.000 0.782 524 K N -0.227 120.138 120.400 -0.058 0.000 2.097 524 K HA -0.140 4.181 4.320 0.002 0.000 0.206 524 K C 2.071 178.630 176.600 -0.068 0.000 1.049 524 K CA 0.804 57.058 56.287 -0.055 0.000 0.933 524 K CB -0.517 31.941 32.500 -0.070 0.000 0.717 524 K HN -0.023 nan 8.250 nan 0.000 0.442 525 L N 0.872 122.021 121.223 -0.123 0.000 2.027 525 L HA -0.121 4.220 4.340 0.002 0.000 0.206 525 L C 1.989 178.832 176.870 -0.045 0.000 1.074 525 L CA 1.406 56.147 54.840 -0.164 0.000 0.745 525 L CB -0.424 41.401 42.059 -0.390 0.000 0.898 525 L HN -0.031 nan 8.230 nan 0.000 0.433 526 V N -0.170 119.755 119.914 0.019 0.000 2.343 526 V HA -0.273 3.848 4.120 0.002 0.000 0.247 526 V C 2.506 178.648 176.094 0.081 0.000 1.051 526 V CA 1.984 64.351 62.300 0.111 0.000 1.036 526 V CB -0.614 31.278 31.823 0.116 0.000 0.654 526 V HN 0.497 nan 8.190 nan 0.000 0.451 527 E N -0.121 120.112 120.200 0.054 0.000 2.058 527 E HA -0.197 4.154 4.350 0.002 0.000 0.194 527 E C 2.291 178.937 176.600 0.077 0.000 0.997 527 E CA 1.919 58.357 56.400 0.063 0.000 0.801 527 E CB -0.328 29.396 29.700 0.040 0.000 0.746 527 E HN 0.572 nan 8.360 nan 0.000 0.450 528 T N 0.503 115.089 114.554 0.053 0.000 2.746 528 T HA -0.115 4.236 4.350 0.002 0.000 0.267 528 T C 2.074 176.850 174.700 0.125 0.000 1.039 528 T CA 1.093 63.232 62.100 0.064 0.000 1.142 528 T CB -0.157 68.713 68.868 0.004 0.000 0.866 528 T HN -0.028 nan 8.240 nan 0.000 0.444 529 V N 1.252 121.233 119.914 0.111 0.000 2.379 529 V HA -0.104 4.017 4.120 0.002 0.000 0.245 529 V C 2.622 178.837 176.094 0.202 0.000 1.044 529 V CA 1.476 63.873 62.300 0.162 0.000 1.036 529 V CB -0.531 31.351 31.823 0.098 0.000 0.664 529 V HN 0.345 nan 8.190 nan 0.000 0.453 530 R N 0.186 120.768 120.500 0.136 0.000 2.073 530 R HA -0.125 4.216 4.340 0.002 0.000 0.234 530 R C 2.463 178.932 176.300 0.282 0.000 1.134 530 R CA 1.523 57.740 56.100 0.196 0.000 0.952 530 R CB -0.627 29.798 30.300 0.208 0.000 0.850 530 R HN 0.527 nan 8.270 nan 0.000 0.433 531 A N 0.332 123.281 122.820 0.215 0.000 1.902 531 A HA -0.216 4.105 4.320 0.002 0.000 0.217 531 A C 1.892 179.604 177.584 0.215 0.000 1.181 531 A CA 1.323 53.468 52.037 0.180 0.000 0.623 531 A CB -0.823 18.260 19.000 0.139 0.000 0.818 531 A HN 0.628 nan 8.150 nan 0.000 0.443 532 W N 0.556 121.901 121.300 0.075 0.000 2.381 532 W HA -0.133 4.529 4.660 0.002 0.000 0.301 532 W C 1.927 178.503 176.519 0.095 0.000 1.205 532 W CA 2.055 59.442 57.345 0.071 0.000 1.285 532 W CB -0.323 29.174 29.460 0.062 0.000 1.133 532 W HN 0.092 nan 8.180 nan 0.000 0.521 533 V N 1.173 121.168 119.914 0.133 0.000 2.295 533 V HA -0.286 3.835 4.120 0.002 0.000 0.246 533 V C 2.388 178.505 176.094 0.037 0.000 1.049 533 V CA 2.308 64.576 62.300 -0.053 0.000 1.024 533 V CB -1.058 30.820 31.823 0.091 0.000 0.648 533 V HN 0.060 nan 8.190 nan 0.000 0.447 534 R N 1.002 121.615 120.500 0.189 0.000 2.127 534 R HA -0.115 4.226 4.340 0.002 0.000 0.238 534 R C 2.044 178.324 176.300 -0.034 0.000 1.134 534 R CA 1.488 57.633 56.100 0.075 0.000 0.975 534 R CB -0.898 29.416 30.300 0.024 0.000 0.865 534 R HN 0.533 nan 8.270 nan 0.000 0.447 535 G N -2.488 106.270 108.800 -0.070 0.000 2.920 535 G HA2 0.233 4.195 3.960 0.002 0.000 0.208 535 G HA3 0.233 4.195 3.960 0.002 0.000 0.208 535 G C 0.716 175.505 174.900 -0.184 0.000 1.159 535 G CA 0.380 45.416 45.100 -0.107 0.000 0.784 535 G HN 0.534 nan 8.290 nan 0.000 0.535 536 G N -1.563 107.086 108.800 -0.252 0.000 2.227 536 G HA2 0.064 4.025 3.960 0.002 0.000 0.168 536 G HA3 0.064 4.025 3.960 0.002 0.000 0.168 536 G C 0.727 175.363 174.900 -0.440 0.000 1.006 536 G CA 0.072 45.020 45.100 -0.254 0.000 0.684 536 G HN 0.865 nan 8.290 nan 0.000 0.489 537 G N -0.055 108.199 108.800 -0.909 0.000 2.716 537 G HA2 0.652 4.613 3.960 0.002 0.000 0.251 537 G HA3 0.652 4.613 3.960 0.002 0.000 0.251 537 G C 0.217 174.666 174.900 -0.753 0.000 1.224 537 G CA 0.607 44.699 45.100 -1.681 0.000 0.891 537 G HN 1.599 nan 8.290 nan 0.000 0.561 538 A N -0.391 122.168 122.820 -0.435 0.000 2.374 538 A HA 0.658 4.980 4.320 0.002 0.000 0.305 538 A C -1.456 176.335 177.584 0.345 0.000 1.053 538 A CA -0.575 51.475 52.037 0.021 0.000 0.726 538 A CB 1.228 20.244 19.000 0.026 0.000 1.229 538 A HN 0.802 nan 8.150 nan 0.000 0.431 539 F N 3.244 123.277 119.950 0.139 0.000 2.477 539 F HA 0.605 5.133 4.527 0.002 0.000 0.335 539 F C -0.904 174.940 175.800 0.074 0.000 1.130 539 F CA -0.530 57.565 58.000 0.158 0.000 0.948 539 F CB 1.763 40.837 39.000 0.124 0.000 1.154 539 F HN 0.335 nan 8.300 nan 0.000 0.439 540 V N 5.658 125.288 119.914 -0.473 0.000 2.357 540 V HA 0.629 4.751 4.120 0.002 0.000 0.284 540 V C 0.224 175.968 176.094 -0.583 0.000 1.018 540 V CA -0.588 61.505 62.300 -0.345 0.000 0.841 540 V CB 1.223 32.933 31.823 -0.187 0.000 0.991 540 V HN 0.921 nan 8.190 nan 0.000 0.437 541 G N 3.751 112.341 108.800 -0.351 0.000 2.416 541 G HA2 0.633 4.594 3.960 0.002 0.000 0.324 541 G HA3 0.633 4.594 3.960 0.002 0.000 0.324 541 G C -1.095 173.706 174.900 -0.165 0.000 1.194 541 G CA -0.432 44.501 45.100 -0.278 0.000 0.922 541 G HN 0.529 nan 8.290 nan 0.000 0.467 542 V N 2.381 122.213 119.914 -0.136 0.000 2.495 542 V HA 0.826 4.947 4.120 0.002 0.000 0.298 542 V C 1.138 177.278 176.094 0.077 0.000 1.031 542 V CA 0.784 63.020 62.300 -0.107 0.000 0.871 542 V CB 0.621 32.429 31.823 -0.025 0.000 0.988 542 V HN 1.622 nan 8.190 nan 0.000 0.432 543 G N 4.815 113.662 108.800 0.078 0.000 3.487 543 G HA2 -0.236 3.726 3.960 0.002 0.000 0.295 543 G HA3 -0.236 3.726 3.960 0.002 0.000 0.295 543 G C 0.161 175.232 174.900 0.285 0.000 1.454 543 G CA 0.464 45.755 45.100 0.318 0.000 1.039 543 G HN 0.721 nan 8.290 nan 0.000 0.624 544 E N 2.383 122.642 120.200 0.098 0.000 3.896 544 E HA 0.317 4.668 4.350 0.002 0.000 0.217 544 E C -2.649 173.649 176.600 -0.505 0.000 1.150 544 E CA -1.589 54.716 56.400 -0.159 0.000 1.338 544 E CB 1.998 31.893 29.700 0.325 0.000 1.242 544 E HN 0.428 nan 8.360 nan 0.000 0.435 545 P HA -0.093 nan 4.420 nan 0.000 0.268 545 P C 0.428 177.319 177.300 -0.681 0.000 1.205 545 P CA 0.508 63.330 63.100 -0.464 0.000 0.771 545 P CB 1.133 32.668 31.700 -0.275 0.000 0.858 546 S N 0.269 115.474 115.700 -0.825 0.000 3.445 546 S HA -0.192 4.280 4.470 0.002 0.000 0.319 546 S C 0.231 174.250 174.600 -0.968 0.000 1.209 546 S CA 0.900 58.021 58.200 -1.797 0.000 0.934 546 S CB -3.085 59.046 63.200 -1.782 0.000 0.999 546 S HN 0.779 nan 8.310 nan 0.000 0.582 547 S N 0.369 115.716 115.700 -0.588 0.000 2.548 547 S HA 0.731 5.203 4.470 0.002 0.000 0.277 547 S C 0.015 174.376 174.600 -0.399 0.000 1.315 547 S CA -0.214 57.654 58.200 -0.553 0.000 1.050 547 S CB 1.554 64.352 63.200 -0.670 0.000 0.918 547 S HN 1.938 nan 8.310 nan 0.000 0.497 548 A N 3.653 126.231 122.820 -0.403 0.000 2.446 548 A HA 0.689 5.010 4.320 0.002 0.000 0.282 548 A C -2.853 174.715 177.584 -0.025 0.000 1.102 548 A CA -1.687 50.269 52.037 -0.136 0.000 0.737 548 A CB 1.070 20.044 19.000 -0.043 0.000 1.212 548 A HN 0.680 nan 8.150 nan 0.000 0.434 549 P HA 0.279 nan 4.420 nan 0.000 0.275 549 P C -0.087 177.366 177.300 0.256 0.000 1.227 549 P CA -0.027 63.270 63.100 0.328 0.000 0.781 549 P CB 0.653 32.552 31.700 0.333 0.000 0.906 550 R N -0.309 120.350 120.500 0.264 0.000 3.741 550 R HA -0.244 4.097 4.340 0.002 0.000 0.292 550 R C 0.745 177.166 176.300 0.201 0.000 1.176 550 R CA 0.491 56.702 56.100 0.184 0.000 0.794 550 R CB -2.490 27.892 30.300 0.137 0.000 1.213 550 R HN 0.447 nan 8.270 nan 0.000 0.494 551 F N 0.724 120.716 119.950 0.070 0.000 2.220 551 F HA 0.109 4.637 4.527 0.002 0.000 0.290 551 F C 0.846 176.671 175.800 0.041 0.000 1.080 551 F CA 1.197 59.222 58.000 0.041 0.000 1.318 551 F CB 0.468 39.484 39.000 0.028 0.000 1.063 551 F HN 0.004 nan 8.300 nan 0.000 0.498 552 Q N -0.070 119.709 119.800 -0.035 0.000 2.340 552 Q HA 0.216 4.557 4.340 0.002 0.000 0.268 552 Q C 0.742 176.740 176.000 -0.003 0.000 1.031 552 Q CA -0.195 55.530 55.803 -0.129 0.000 0.804 552 Q CB 1.998 30.699 28.738 -0.063 0.000 1.286 552 Q HN 0.025 nan 8.270 nan 0.000 0.448 553 T N 1.031 115.567 114.554 -0.030 0.000 2.759 553 T HA -0.140 4.211 4.350 0.002 0.000 0.269 553 T C 1.387 176.097 174.700 0.017 0.000 1.042 553 T CA 1.735 63.837 62.100 0.003 0.000 1.140 553 T CB -0.019 68.839 68.868 -0.016 0.000 0.864 553 T HN 0.839 nan 8.240 nan 0.000 0.455 554 G N -0.074 108.731 108.800 0.009 0.000 3.088 554 G HA2 0.236 4.197 3.960 0.002 0.000 0.217 554 G HA3 0.236 4.197 3.960 0.002 0.000 0.217 554 G C 0.410 175.338 174.900 0.045 0.000 1.159 554 G CA -0.294 44.818 45.100 0.019 0.000 0.760 554 G HN 0.131 nan 8.290 nan 0.000 0.550 555 R N -0.738 119.801 120.500 0.065 0.000 2.512 555 R HA 0.447 4.788 4.340 0.002 0.000 0.291 555 R C -0.830 175.563 176.300 0.154 0.000 1.097 555 R CA -1.373 54.772 56.100 0.075 0.000 0.940 555 R CB 0.535 30.870 30.300 0.058 0.000 1.198 555 R HN -0.015 nan 8.270 nan 0.000 0.429 556 F N 3.671 123.582 119.950 -0.066 0.000 2.298 556 F HA 0.385 4.913 4.527 0.002 0.000 0.282 556 F C 0.045 175.916 175.800 0.117 0.000 1.045 556 F CA 0.306 58.298 58.000 -0.014 0.000 1.280 556 F CB 0.215 39.131 39.000 -0.139 0.000 1.114 556 F HN 0.346 nan 8.300 nan 0.000 0.546 557 F N 3.156 123.049 119.950 -0.095 0.000 2.494 557 F HA 0.158 4.686 4.527 0.002 0.000 0.369 557 F C 1.560 177.224 175.800 -0.227 0.000 1.098 557 F CA -0.838 57.004 58.000 -0.263 0.000 1.154 557 F CB -0.096 38.780 39.000 -0.208 0.000 1.103 557 F HN 0.164 nan 8.300 nan 0.000 0.549 558 Q N 2.746 122.477 119.800 -0.115 0.000 2.224 558 Q HA -0.044 4.297 4.340 0.002 0.000 0.203 558 Q C 1.432 177.368 176.000 -0.107 0.000 0.970 558 Q CA 1.072 56.838 55.803 -0.062 0.000 0.865 558 Q CB 0.051 28.785 28.738 -0.006 0.000 0.922 558 Q HN 0.651 nan 8.270 nan 0.000 0.445 559 L N 0.436 121.508 121.223 -0.252 0.000 2.912 559 L HA 0.269 4.611 4.340 0.002 0.000 0.240 559 L C 1.588 178.366 176.870 -0.152 0.000 1.262 559 L CA -0.260 54.418 54.840 -0.270 0.000 1.058 559 L CB -0.246 41.482 42.059 -0.551 0.000 1.383 559 L HN -0.003 nan 8.230 nan 0.000 0.512 560 A N 0.964 123.758 122.820 -0.044 0.000 1.986 560 A HA -0.255 4.067 4.320 0.002 0.000 0.220 560 A C 2.073 179.627 177.584 -0.050 0.000 1.171 560 A CA 2.083 54.108 52.037 -0.021 0.000 0.640 560 A CB -0.293 18.663 19.000 -0.073 0.000 0.811 560 A HN 0.656 nan 8.150 nan 0.000 0.451 561 D N 0.032 120.412 120.400 -0.034 0.000 2.178 561 D HA -0.114 4.527 4.640 0.002 0.000 0.201 561 D C 1.768 178.068 176.300 0.001 0.000 0.980 561 D CA 1.611 55.636 54.000 0.042 0.000 0.842 561 D CB -0.826 40.060 40.800 0.143 0.000 0.948 561 D HN 0.276 nan 8.370 nan 0.000 0.472 562 V N 1.840 121.588 119.914 -0.278 0.000 2.323 562 V HA -0.158 3.963 4.120 0.002 0.000 0.244 562 V C 2.625 178.635 176.094 -0.140 0.000 1.041 562 V CA 1.723 63.682 62.300 -0.569 0.000 1.025 562 V CB -0.559 30.837 31.823 -0.713 0.000 0.656 562 V HN 0.380 nan 8.190 nan 0.000 0.451 563 I N -1.659 118.894 120.570 -0.029 0.000 3.728 563 I HA 0.429 4.600 4.170 0.002 0.000 0.307 563 I C 1.522 177.671 176.117 0.053 0.000 1.276 563 I CA 0.916 62.266 61.300 0.083 0.000 1.285 563 I CB -0.276 37.833 38.000 0.181 0.000 1.038 563 I HN 0.398 nan 8.210 nan 0.000 0.445 564 G N 1.687 110.489 108.800 0.003 0.000 2.148 564 G HA2 -0.209 3.752 3.960 0.002 0.000 0.254 564 G HA3 -0.209 3.752 3.960 0.002 0.000 0.254 564 G C 0.024 174.841 174.900 -0.138 0.000 0.981 564 G CA 0.284 45.364 45.100 -0.033 0.000 0.670 564 G HN 0.387 nan 8.290 nan 0.000 0.528 565 V N -0.052 119.747 119.914 -0.192 0.000 2.760 565 V HA 0.748 4.869 4.120 0.002 0.000 0.309 565 V C -0.606 175.205 176.094 -0.473 0.000 1.077 565 V CA -0.737 61.321 62.300 -0.404 0.000 0.910 565 V CB 2.135 33.652 31.823 -0.510 0.000 1.008 565 V HN 0.271 nan 8.190 nan 0.000 0.424 566 D N 1.613 121.474 120.400 -0.899 0.000 2.493 566 D HA 0.412 5.053 4.640 0.002 0.000 0.239 566 D C -0.937 174.642 176.300 -1.203 0.000 1.049 566 D CA -0.545 52.807 54.000 -1.079 0.000 1.008 566 D CB 2.595 42.907 40.800 -0.812 0.000 1.398 566 D HN 0.664 nan 8.370 nan 0.000 0.513 567 E N 1.075 120.551 120.200 -1.206 0.000 2.134 567 E HA 0.217 4.568 4.350 0.002 0.000 0.278 567 E C -0.884 175.510 176.600 -0.342 0.000 0.959 567 E CA -0.633 55.380 56.400 -0.645 0.000 0.783 567 E CB 1.036 30.408 29.700 -0.547 0.000 1.095 567 E HN 0.255 nan 8.360 nan 0.000 0.399 568 E N 3.595 123.721 120.200 -0.123 0.000 2.415 568 E HA -0.045 4.306 4.350 0.002 0.000 0.263 568 E C -0.259 176.051 176.600 -0.482 0.000 0.995 568 E CA 0.295 56.573 56.400 -0.203 0.000 0.915 568 E CB 0.527 30.076 29.700 -0.253 0.000 0.951 568 E HN 0.381 nan 8.360 nan 0.000 0.449 569 R N 4.092 124.337 120.500 -0.426 0.000 2.613 569 R HA 0.097 4.438 4.340 0.002 0.000 0.361 569 R C -0.411 175.820 176.300 -0.115 0.000 1.072 569 R CA -0.421 55.451 56.100 -0.380 0.000 1.089 569 R CB -0.581 29.497 30.300 -0.370 0.000 1.343 569 R HN 0.795 nan 8.270 nan 0.000 0.571 570 Y N -0.603 119.631 120.300 -0.109 0.000 4.668 570 Y HA -0.284 4.267 4.550 0.002 0.000 0.234 570 Y C 1.324 177.182 175.900 -0.069 0.000 1.056 570 Y CA 0.720 58.771 58.100 -0.082 0.000 2.025 570 Y CB -1.647 36.771 38.460 -0.069 0.000 1.613 570 Y HN 0.116 nan 8.280 nan 0.000 0.653 571 Q N -0.492 119.312 119.800 0.006 0.000 2.396 571 Q HA 0.150 4.492 4.340 0.002 0.000 0.209 571 Q C 1.498 177.479 176.000 -0.033 0.000 0.906 571 Q CA 1.411 57.213 55.803 -0.001 0.000 0.927 571 Q CB 0.291 29.027 28.738 -0.004 0.000 1.069 571 Q HN 0.681 nan 8.270 nan 0.000 0.523 572 T N -2.655 111.853 114.554 -0.075 0.000 3.296 572 T HA 0.374 4.725 4.350 0.002 0.000 0.285 572 T C 1.366 175.983 174.700 -0.139 0.000 1.014 572 T CA -0.224 61.815 62.100 -0.103 0.000 0.920 572 T CB -0.285 68.514 68.868 -0.116 0.000 1.143 572 T HN -0.009 nan 8.240 nan 0.000 0.522 573 L N 0.525 121.688 121.223 -0.100 0.000 2.275 573 L HA -0.007 4.334 4.340 0.002 0.000 0.215 573 L C 2.576 179.390 176.870 -0.095 0.000 1.119 573 L CA 0.728 55.508 54.840 -0.100 0.000 0.790 573 L CB -0.560 41.478 42.059 -0.036 0.000 0.919 573 L HN 0.334 nan 8.230 nan 0.000 0.443 574 S N -0.775 114.880 115.700 -0.075 0.000 2.474 574 S HA -0.017 4.454 4.470 0.002 0.000 0.235 574 S C 0.847 175.399 174.600 -0.080 0.000 0.997 574 S CA 0.272 58.434 58.200 -0.063 0.000 0.949 574 S CB 0.003 63.178 63.200 -0.042 0.000 0.766 574 S HN 0.080 nan 8.310 nan 0.000 0.517 575 V N 3.471 123.316 119.914 -0.115 0.000 2.385 575 V HA 0.172 4.293 4.120 0.002 0.000 0.269 575 V C 0.075 176.049 176.094 -0.200 0.000 1.043 575 V CA -0.879 61.344 62.300 -0.129 0.000 0.906 575 V CB 0.910 32.650 31.823 -0.139 0.000 0.995 575 V HN 0.261 nan 8.190 nan 0.000 0.467 576 D N 5.060 125.347 120.400 -0.188 0.000 2.425 576 D HA 0.109 4.750 4.640 0.002 0.000 0.247 576 D C -0.057 175.941 176.300 -0.504 0.000 1.147 576 D CA 0.004 53.788 54.000 -0.360 0.000 0.879 576 D CB 1.019 41.590 40.800 -0.382 0.000 1.179 576 D HN 0.325 nan 8.370 nan 0.000 0.456 577 K N 2.770 122.862 120.400 -0.514 0.000 2.211 577 K HA 0.263 4.584 4.320 0.002 0.000 0.275 577 K C -0.611 175.781 176.600 -0.346 0.000 1.024 577 K CA -0.576 55.496 56.287 -0.358 0.000 0.887 577 K CB 0.655 33.037 32.500 -0.196 0.000 1.084 577 K HN 0.325 nan 8.250 nan 0.000 0.463 578 Y N 2.212 122.595 120.300 0.137 0.000 2.334 578 Y HA 0.331 4.882 4.550 0.002 0.000 0.336 578 Y C -0.321 175.709 175.900 0.217 0.000 0.960 578 Y CA -0.928 57.279 58.100 0.178 0.000 1.164 578 Y CB 0.871 39.371 38.460 0.067 0.000 1.155 578 Y HN 0.335 nan 8.280 nan 0.000 0.478 579 F N 5.612 125.622 119.950 0.101 0.000 2.410 579 F HA 0.466 4.994 4.527 0.002 0.000 0.349 579 F C -1.960 173.820 175.800 -0.033 0.000 1.117 579 F CA -3.218 54.804 58.000 0.037 0.000 1.104 579 F CB 0.905 39.918 39.000 0.022 0.000 1.122 579 F HN 0.306 nan 8.300 nan 0.000 0.483 580 P HA 0.190 nan 4.420 nan 0.000 0.274 580 P C -2.718 174.528 177.300 -0.089 0.000 1.237 580 P CA -1.519 61.579 63.100 -0.003 0.000 0.793 580 P CB 0.102 31.810 31.700 0.015 0.000 0.977 581 P HA 0.023 nan 4.420 nan 0.000 0.265 581 P C -0.127 177.227 177.300 0.090 0.000 1.193 581 P CA 0.152 63.086 63.100 -0.276 0.000 0.765 581 P CB 0.203 31.839 31.700 -0.106 0.000 0.823 582 V N 4.125 124.237 119.914 0.331 0.000 2.843 582 V HA -0.019 4.102 4.120 0.002 0.000 0.305 582 V C 0.558 176.852 176.094 0.332 0.000 1.065 582 V CA 0.206 62.725 62.300 0.365 0.000 1.116 582 V CB 0.961 33.095 31.823 0.518 0.000 0.968 582 V HN 0.220 nan 8.190 nan 0.000 0.487 583 V N 7.667 127.702 119.914 0.202 0.000 2.270 583 V HA 0.217 4.338 4.120 0.002 0.000 0.263 583 V C -1.105 175.072 176.094 0.137 0.000 1.066 583 V CA -0.827 61.581 62.300 0.180 0.000 0.857 583 V CB 1.045 32.959 31.823 0.150 0.000 1.099 583 V HN 0.864 nan 8.190 nan 0.000 0.476 584 P HA 0.023 nan 4.420 nan 0.000 0.225 584 P C 0.000 177.326 177.300 0.044 0.000 1.156 584 P CA 0.651 63.768 63.100 0.029 0.000 0.787 584 P CB 0.501 32.200 31.700 -0.001 0.000 0.802 585 D N 0.696 121.153 120.400 0.094 0.000 2.427 585 D HA 0.252 4.893 4.640 0.002 0.000 0.226 585 D C -0.110 176.259 176.300 0.116 0.000 1.076 585 D CA 0.218 54.263 54.000 0.075 0.000 0.849 585 D CB 0.805 41.644 40.800 0.065 0.000 1.052 585 D HN 0.214 nan 8.370 nan 0.000 0.515 586 H N 1.443 120.497 119.070 -0.027 0.000 3.046 586 H HA 0.013 4.571 4.556 0.002 0.000 0.363 586 H C 0.052 175.348 175.328 -0.053 0.000 1.203 586 H CA -0.651 55.375 56.048 -0.036 0.000 1.169 586 H CB 1.415 31.130 29.762 -0.079 0.000 1.851 586 H HN 0.212 nan 8.280 nan 0.000 0.546 587 F N 3.685 123.358 119.950 -0.462 0.000 2.111 587 F HA -0.248 4.280 4.527 0.002 0.000 0.300 587 F C 1.876 177.585 175.800 -0.151 0.000 1.088 587 F CA 2.215 60.044 58.000 -0.286 0.000 1.243 587 F CB -0.164 38.658 39.000 -0.297 0.000 0.996 587 F HN 0.581 nan 8.300 nan 0.000 0.483 588 I N -0.260 120.434 120.570 0.208 0.000 2.226 588 I HA -0.268 3.903 4.170 0.002 0.000 0.245 588 I C 1.877 177.938 176.117 -0.094 0.000 1.100 588 I CA 1.849 63.177 61.300 0.047 0.000 1.374 588 I CB -0.628 37.380 38.000 0.014 0.000 1.057 588 I HN 0.297 nan 8.210 nan 0.000 0.413 589 T N -1.901 112.618 114.554 -0.059 0.000 3.186 589 T HA 0.397 4.748 4.350 0.002 0.000 0.257 589 T C 1.500 176.125 174.700 -0.125 0.000 1.029 589 T CA 0.282 62.327 62.100 -0.091 0.000 0.916 589 T CB 0.378 69.212 68.868 -0.056 0.000 1.041 589 T HN 0.231 nan 8.240 nan 0.000 0.562 590 A N 2.040 124.742 122.820 -0.196 0.000 2.019 590 A HA -0.057 4.264 4.320 0.002 0.000 0.219 590 A C 1.943 179.423 177.584 -0.172 0.000 1.164 590 A CA 1.221 53.137 52.037 -0.202 0.000 0.644 590 A CB -0.320 18.490 19.000 -0.316 0.000 0.805 590 A HN 0.468 nan 8.150 nan 0.000 0.449 591 D N -0.669 119.622 120.400 -0.181 0.000 2.369 591 D HA 0.178 4.819 4.640 0.002 0.000 0.211 591 D C -0.090 176.140 176.300 -0.117 0.000 1.077 591 D CA 0.051 53.970 54.000 -0.135 0.000 0.842 591 D CB 0.394 41.117 40.800 -0.128 0.000 0.947 591 D HN 0.128 nan 8.370 nan 0.000 0.509 592 V N 3.104 122.945 119.914 -0.122 0.000 2.521 592 V HA 0.076 4.197 4.120 0.002 0.000 0.286 592 V C -1.891 174.142 176.094 -0.102 0.000 1.034 592 V CA -1.068 61.160 62.300 -0.120 0.000 1.045 592 V CB 0.573 32.320 31.823 -0.126 0.000 0.974 592 V HN -0.051 nan 8.190 nan 0.000 0.480 593 P HA 0.134 nan 4.420 nan 0.000 0.267 593 P C -0.367 176.888 177.300 -0.074 0.000 1.209 593 P CA -0.015 63.039 63.100 -0.077 0.000 0.763 593 P CB 0.422 32.078 31.700 -0.073 0.000 0.816 594 V N 3.647 123.524 119.914 -0.061 0.000 2.775 594 V HA 0.109 4.230 4.120 0.002 0.000 0.299 594 V C 0.619 176.687 176.094 -0.044 0.000 1.062 594 V CA 0.398 62.665 62.300 -0.055 0.000 1.063 594 V CB 0.967 32.767 31.823 -0.039 0.000 0.994 594 V HN 0.565 nan 8.190 nan 0.000 0.483 595 D N 5.129 125.503 120.400 -0.043 0.000 2.454 595 D HA 0.346 4.988 4.640 0.002 0.000 0.247 595 D C -1.967 174.327 176.300 -0.010 0.000 1.129 595 D CA -1.730 52.254 54.000 -0.028 0.000 0.877 595 D CB 2.384 43.165 40.800 -0.032 0.000 1.082 595 D HN 0.166 nan 8.370 nan 0.000 0.537 596 P HA -0.111 nan 4.420 nan 0.000 0.215 596 P C 1.160 178.476 177.300 0.027 0.000 1.157 596 P CA 1.322 64.431 63.100 0.015 0.000 0.868 596 P CB 0.328 32.035 31.700 0.011 0.000 0.788 597 A N -0.158 122.674 122.820 0.020 0.000 1.902 597 A HA -0.126 4.195 4.320 0.002 0.000 0.217 597 A C 2.320 179.928 177.584 0.040 0.000 1.181 597 A CA 2.146 54.199 52.037 0.026 0.000 0.623 597 A CB -1.592 17.418 19.000 0.017 0.000 0.818 597 A HN 0.196 nan 8.150 nan 0.000 0.443 598 A N -0.236 122.602 122.820 0.030 0.000 1.877 598 A HA -0.161 4.160 4.320 0.002 0.000 0.216 598 A C 2.229 179.867 177.584 0.090 0.000 1.186 598 A CA 1.885 53.946 52.037 0.040 0.000 0.620 598 A CB -0.478 18.521 19.000 -0.003 0.000 0.822 598 A HN 0.555 nan 8.150 nan 0.000 0.443 599 R N -0.073 120.473 120.500 0.076 0.000 2.073 599 R HA -0.162 4.179 4.340 0.002 0.000 0.234 599 R C 2.030 178.483 176.300 0.255 0.000 1.134 599 R CA 1.882 58.085 56.100 0.170 0.000 0.952 599 R CB -0.332 30.031 30.300 0.104 0.000 0.850 599 R HN 0.668 nan 8.270 nan 0.000 0.433 600 E N -0.144 120.139 120.200 0.138 0.000 2.038 600 E HA -0.230 4.121 4.350 0.002 0.000 0.195 600 E C 1.973 178.623 176.600 0.083 0.000 1.000 600 E CA 1.589 58.045 56.400 0.095 0.000 0.803 600 E CB -0.211 29.522 29.700 0.054 0.000 0.750 600 E HN 0.509 nan 8.360 nan 0.000 0.448 601 A N 0.575 123.450 122.820 0.091 0.000 1.930 601 A HA -0.187 4.134 4.320 0.002 0.000 0.217 601 A C 1.899 179.538 177.584 0.092 0.000 1.175 601 A CA 1.341 53.419 52.037 0.069 0.000 0.627 601 A CB -0.961 18.078 19.000 0.064 0.000 0.815 601 A HN 0.557 nan 8.150 nan 0.000 0.443 602 W N 0.996 122.264 121.300 -0.053 0.000 2.355 602 W HA -0.159 4.502 4.660 0.002 0.000 0.309 602 W C 1.917 178.360 176.519 -0.127 0.000 1.206 602 W CA 1.943 59.238 57.345 -0.083 0.000 1.284 602 W CB -0.199 29.226 29.460 -0.058 0.000 1.145 602 W HN 0.453 nan 8.180 nan 0.000 0.502 603 E N -0.376 119.730 120.200 -0.157 0.000 2.077 603 E HA -0.281 4.070 4.350 0.002 0.000 0.193 603 E C 2.226 178.630 176.600 -0.327 0.000 0.989 603 E CA 1.456 57.608 56.400 -0.413 0.000 0.800 603 E CB -0.361 29.274 29.700 -0.107 0.000 0.746 603 E HN 0.371 nan 8.360 nan 0.000 0.452 604 Q N -0.105 119.595 119.800 -0.168 0.000 2.079 604 Q HA -0.090 4.252 4.340 0.002 0.000 0.200 604 Q C 2.173 178.077 176.000 -0.161 0.000 0.974 604 Q CA 1.250 56.975 55.803 -0.130 0.000 0.840 604 Q CB -0.207 28.493 28.738 -0.063 0.000 0.898 604 Q HN 0.226 nan 8.270 nan 0.000 0.430 605 A N 0.418 123.131 122.820 -0.178 0.000 2.015 605 A HA 0.186 4.507 4.320 0.002 0.000 0.219 605 A C 1.220 178.660 177.584 -0.240 0.000 1.163 605 A CA 1.390 53.327 52.037 -0.167 0.000 0.646 605 A CB -0.694 18.237 19.000 -0.116 0.000 0.806 605 A HN 0.457 nan 8.150 nan 0.000 0.448 606 G N -2.259 106.290 108.800 -0.419 0.000 2.698 606 G HA2 -0.178 3.783 3.960 0.002 0.000 0.233 606 G HA3 -0.178 3.783 3.960 0.002 0.000 0.233 606 G C -0.406 174.186 174.900 -0.513 0.000 1.352 606 G CA 0.068 44.869 45.100 -0.497 0.000 0.879 606 G HN 0.587 nan 8.290 nan 0.000 0.567 607 Y N 0.281 120.500 120.300 -0.134 0.000 2.457 607 Y HA 0.652 5.203 4.550 0.002 0.000 0.333 607 Y C 1.415 177.281 175.900 -0.056 0.000 1.119 607 Y CA -0.827 57.223 58.100 -0.083 0.000 1.143 607 Y CB 1.127 39.556 38.460 -0.051 0.000 1.230 607 Y HN 0.610 nan 8.280 nan 0.000 0.469 608 R N 2.711 123.288 120.500 0.129 0.000 2.570 608 R HA 0.230 4.571 4.340 0.002 0.000 0.277 608 R C -0.173 176.172 176.300 0.076 0.000 1.039 608 R CA -0.227 55.907 56.100 0.055 0.000 1.065 608 R CB 0.136 30.440 30.300 0.007 0.000 0.964 608 R HN 0.675 nan 8.270 nan 0.000 0.428 609 I N 0.554 121.156 120.570 0.055 0.000 2.662 609 I HA 0.351 4.523 4.170 0.002 0.000 0.291 609 I C -2.094 174.069 176.117 0.078 0.000 1.046 609 I CA -2.663 58.674 61.300 0.061 0.000 1.361 609 I CB 0.625 38.647 38.000 0.037 0.000 1.429 609 I HN 0.319 nan 8.210 nan 0.000 0.558 610 P HA 0.125 nan 4.420 nan 0.000 0.262 610 P C -1.012 176.345 177.300 0.095 0.000 1.182 610 P CA 0.104 63.309 63.100 0.175 0.000 0.761 610 P CB 0.483 32.301 31.700 0.195 0.000 0.795 611 L N 2.549 123.816 121.223 0.074 0.000 2.431 611 L HA 0.479 4.820 4.340 0.002 0.000 0.266 611 L C -0.194 176.691 176.870 0.024 0.000 0.978 611 L CA -0.683 54.178 54.840 0.035 0.000 0.822 611 L CB 2.186 44.252 42.059 0.012 0.000 1.310 611 L HN 0.208 nan 8.230 nan 0.000 0.409 612 S N 3.158 118.870 115.700 0.020 0.000 2.626 612 S HA 0.375 4.846 4.470 0.002 0.000 0.303 612 S C 1.308 175.900 174.600 -0.012 0.000 1.256 612 S CA 1.094 59.300 58.200 0.010 0.000 1.069 612 S CB -0.477 62.727 63.200 0.008 0.000 0.807 612 S HN 1.995 nan 8.310 nan 0.000 0.500 613 G N 3.161 111.944 108.800 -0.027 0.000 2.168 613 G HA2 -0.261 3.700 3.960 0.002 0.000 0.263 613 G HA3 -0.261 3.700 3.960 0.002 0.000 0.263 613 G C 0.545 175.403 174.900 -0.070 0.000 0.977 613 G CA 0.341 45.412 45.100 -0.049 0.000 0.659 613 G HN 0.947 nan 8.290 nan 0.000 0.533 614 C N -0.021 119.232 119.300 -0.079 0.000 3.642 614 C HA 0.641 5.103 4.460 0.002 0.000 0.305 614 C C 2.063 176.966 174.990 -0.146 0.000 1.492 614 C CA 0.157 59.119 59.018 -0.093 0.000 1.809 614 C CB -0.549 27.157 27.740 -0.057 0.000 2.639 614 C HN 1.966 nan 8.230 nan 0.000 0.672 615 G N 1.401 110.064 108.800 -0.228 0.000 2.581 615 G HA2 0.249 4.210 3.960 0.002 0.000 0.291 615 G HA3 0.249 4.210 3.960 0.002 0.000 0.291 615 G C 0.026 174.821 174.900 -0.175 0.000 1.277 615 G CA 0.220 45.031 45.100 -0.481 0.000 0.959 615 G HN 1.477 nan 8.290 nan 0.000 0.554 616 G N -3.930 104.817 108.800 -0.087 0.000 2.451 616 G HA2 0.701 4.662 3.960 0.002 0.000 0.292 616 G HA3 0.701 4.662 3.960 0.002 0.000 0.292 616 G C 0.944 175.937 174.900 0.155 0.000 1.427 616 G CA 1.175 46.360 45.100 0.143 0.000 0.792 616 G HN 2.650 nan 8.290 nan 0.000 0.498 617 G N -1.276 107.583 108.800 0.099 0.000 2.195 617 G HA2 -0.191 3.770 3.960 0.002 0.000 0.246 617 G HA3 -0.191 3.770 3.960 0.002 0.000 0.246 617 G C 0.356 175.255 174.900 -0.002 0.000 0.984 617 G CA 0.953 46.077 45.100 0.039 0.000 0.633 617 G HN 0.955 nan 8.290 nan 0.000 0.525 618 Q N 1.510 121.231 119.800 -0.132 0.000 2.352 618 Q HA 0.541 4.882 4.340 0.002 0.000 0.260 618 Q C 0.842 176.941 176.000 0.165 0.000 0.976 618 Q CA 0.459 56.129 55.803 -0.221 0.000 0.881 618 Q CB 1.166 29.594 28.738 -0.516 0.000 1.235 618 Q HN 0.713 nan 8.270 nan 0.000 0.419 619 S N 1.497 117.375 115.700 0.298 0.000 2.562 619 S HA 0.137 4.608 4.470 0.002 0.000 0.281 619 S C 0.810 175.446 174.600 0.059 0.000 1.333 619 S CA -0.461 57.852 58.200 0.189 0.000 1.052 619 S CB 0.372 63.769 63.200 0.329 0.000 0.884 619 S HN 0.638 nan 8.310 nan 0.000 0.506 620 I N 1.245 121.796 120.570 -0.032 0.000 2.353 620 I HA -0.022 4.149 4.170 0.002 0.000 0.248 620 I C 1.191 177.318 176.117 0.016 0.000 1.119 620 I CA 1.080 62.367 61.300 -0.022 0.000 1.417 620 I CB -0.096 37.870 38.000 -0.056 0.000 1.078 620 I HN 0.603 nan 8.210 nan 0.000 0.421 621 K N 0.862 121.293 120.400 0.051 0.000 2.281 621 K HA 0.402 4.723 4.320 0.002 0.000 0.242 621 K C -2.501 174.234 176.600 0.225 0.000 0.971 621 K CA -1.875 54.477 56.287 0.110 0.000 0.834 621 K CB 1.794 34.351 32.500 0.095 0.000 1.181 621 K HN -0.233 nan 8.250 nan 0.000 0.435 622 P HA 0.048 nan 4.420 nan 0.000 0.284 622 P C 0.039 177.363 177.300 0.040 0.000 1.253 622 P CA -0.424 62.747 63.100 0.117 0.000 0.800 622 P CB 1.021 32.760 31.700 0.065 0.000 0.961 623 L N 3.431 124.535 121.223 -0.199 0.000 2.068 623 L HA 0.183 4.524 4.340 0.002 0.000 0.204 623 L C 1.268 178.003 176.870 -0.226 0.000 1.076 623 L CA 2.547 57.095 54.840 -0.487 0.000 0.753 623 L CB -1.404 40.008 42.059 -1.078 0.000 0.910 623 L HN 0.819 nan 8.230 nan 0.000 0.439 624 G N -1.354 107.371 108.800 -0.126 0.000 2.598 624 G HA2 0.127 4.088 3.960 0.002 0.000 0.244 624 G HA3 0.127 4.088 3.960 0.002 0.000 0.244 624 G C 0.885 175.740 174.900 -0.075 0.000 1.302 624 G CA 0.018 45.091 45.100 -0.044 0.000 0.903 624 G HN 1.484 nan 8.290 nan 0.000 0.575 625 G N -2.176 106.580 108.800 -0.074 0.000 2.213 625 G HA2 -0.055 3.907 3.960 0.002 0.000 0.226 625 G HA3 -0.055 3.907 3.960 0.002 0.000 0.226 625 G C 0.286 175.094 174.900 -0.154 0.000 0.992 625 G CA 0.809 45.845 45.100 -0.105 0.000 0.632 625 G HN 1.661 nan 8.290 nan 0.000 0.511 626 I N 1.128 121.581 120.570 -0.194 0.000 2.533 626 I HA 0.364 4.535 4.170 0.002 0.000 0.290 626 I C -1.152 174.693 176.117 -0.453 0.000 1.056 626 I CA -0.940 60.101 61.300 -0.431 0.000 1.057 626 I CB 2.080 39.606 38.000 -0.791 0.000 1.240 626 I HN 0.026 nan 8.210 nan 0.000 0.423 627 D N 5.541 125.700 120.400 -0.403 0.000 2.365 627 D HA 0.209 4.850 4.640 0.002 0.000 0.237 627 D C -0.066 176.038 176.300 -0.327 0.000 1.190 627 D CA 0.078 53.936 54.000 -0.237 0.000 0.867 627 D CB 0.467 41.188 40.800 -0.132 0.000 1.050 627 D HN 0.270 nan 8.370 nan 0.000 0.491 628 F N 2.435 122.340 119.950 -0.075 0.000 2.660 628 F HA 0.305 4.833 4.527 0.002 0.000 0.302 628 F C 1.915 177.611 175.800 -0.173 0.000 1.103 628 F CA 0.322 58.248 58.000 -0.124 0.000 1.340 628 F CB 0.119 39.057 39.000 -0.102 0.000 1.048 628 F HN 0.617 nan 8.300 nan 0.000 0.551 629 G N 0.287 109.084 108.800 -0.005 0.000 2.550 629 G HA2 -0.261 3.701 3.960 0.002 0.000 0.277 629 G HA3 -0.261 3.701 3.960 0.002 0.000 0.277 629 G C -0.081 174.804 174.900 -0.025 0.000 1.190 629 G CA -0.535 44.489 45.100 -0.127 0.000 0.971 629 G HN 0.140 nan 8.290 nan 0.000 0.559 630 E N 2.810 122.935 120.200 -0.124 0.000 2.360 630 E HA 0.310 4.662 4.350 0.002 0.000 0.269 630 E C -1.611 175.003 176.600 0.024 0.000 1.022 630 E CA -0.860 55.542 56.400 0.004 0.000 0.887 630 E CB 0.939 30.642 29.700 0.005 0.000 0.990 630 E HN 0.420 nan 8.360 nan 0.000 0.426 631 P HA 0.080 nan 4.420 nan 0.000 0.271 631 P C -0.462 176.905 177.300 0.112 0.000 1.218 631 P CA -0.265 62.884 63.100 0.081 0.000 0.780 631 P CB 0.761 32.511 31.700 0.084 0.000 0.901 632 V N 4.141 124.136 119.914 0.136 0.000 2.313 632 V HA 0.186 4.307 4.120 0.002 0.000 0.278 632 V C 0.663 176.844 176.094 0.145 0.000 1.017 632 V CA -0.664 61.752 62.300 0.194 0.000 0.823 632 V CB 0.697 32.710 31.823 0.317 0.000 1.010 632 V HN 0.394 nan 8.190 nan 0.000 0.443 633 L N 5.486 126.777 121.223 0.114 0.000 2.453 633 L HA 0.310 4.651 4.340 0.002 0.000 0.272 633 L C 0.939 177.822 176.870 0.021 0.000 1.182 633 L CA -0.057 54.829 54.840 0.076 0.000 0.858 633 L CB 0.032 42.143 42.059 0.088 0.000 1.120 633 L HN 0.757 nan 8.230 nan 0.000 0.474 634 N N 0.000 118.718 118.700 0.030 0.000 2.776 634 N HA -0.141 4.600 4.740 0.002 0.000 0.249 634 N C 0.113 175.641 175.510 0.030 0.000 1.111 634 N CA 1.076 54.130 53.050 0.008 0.000 0.711 634 N CB -1.517 36.888 38.487 -0.136 0.000 1.065 634 N HN 0.897 nan 8.380 nan 0.000 0.556 635 T N -0.866 113.702 114.554 0.023 0.000 2.918 635 T HA 0.459 4.810 4.350 0.002 0.000 0.302 635 T C 0.137 174.829 174.700 -0.012 0.000 1.045 635 T CA -0.247 61.791 62.100 -0.103 0.000 1.114 635 T CB 1.111 69.912 68.868 -0.112 0.000 0.965 635 T HN 0.342 nan 8.240 nan 0.000 0.540 636 Y N -0.826 119.305 120.300 -0.282 0.000 2.609 636 Y HA 0.710 5.261 4.550 0.002 0.000 0.336 636 Y C -3.290 172.321 175.900 -0.482 0.000 1.129 636 Y CA -3.382 54.446 58.100 -0.455 0.000 1.040 636 Y CB 0.699 38.966 38.460 -0.323 0.000 1.310 636 Y HN 0.455 nan 8.280 nan 0.000 0.460 637 P HA 0.086 nan 4.420 nan 0.000 0.281 637 P C 0.835 178.039 177.300 -0.161 0.000 1.252 637 P CA -0.292 62.598 63.100 -0.351 0.000 0.778 637 P CB 2.091 33.596 31.700 -0.325 0.000 0.895 638 V N 0.606 120.411 119.914 -0.181 0.000 2.809 638 V HA -0.083 4.038 4.120 0.002 0.000 0.256 638 V C 0.516 176.628 176.094 0.029 0.000 1.080 638 V CA 1.506 63.775 62.300 -0.052 0.000 1.102 638 V CB -1.647 30.121 31.823 -0.092 0.000 0.705 638 V HN 0.708 nan 8.190 nan 0.000 0.475 639 N N -1.526 117.176 118.700 0.003 0.000 3.039 639 N HA 0.282 5.023 4.740 0.002 0.000 0.257 639 N C -0.199 175.320 175.510 0.015 0.000 1.497 639 N CA -0.492 52.574 53.050 0.027 0.000 0.861 639 N CB 0.841 39.346 38.487 0.031 0.000 1.479 639 N HN 0.023 nan 8.380 nan 0.000 0.547 640 E N -1.139 119.079 120.200 0.029 0.000 2.489 640 E HA 0.156 4.507 4.350 0.002 0.000 0.193 640 E C -0.081 176.533 176.600 0.022 0.000 1.057 640 E CA 0.246 56.662 56.400 0.027 0.000 0.866 640 E CB -0.341 29.379 29.700 0.032 0.000 0.916 640 E HN 0.517 nan 8.360 nan 0.000 0.500 641 N N -0.285 118.430 118.700 0.025 0.000 2.299 641 N HA 0.021 4.763 4.740 0.002 0.000 0.187 641 N C -0.255 175.280 175.510 0.042 0.000 1.099 641 N CA -0.226 52.844 53.050 0.034 0.000 0.867 641 N CB 0.885 39.393 38.487 0.035 0.000 0.974 641 N HN -0.127 nan 8.380 nan 0.000 0.477 642 V N 1.482 121.412 119.914 0.027 0.000 2.740 642 V HA 0.005 4.126 4.120 0.002 0.000 0.303 642 V C 0.604 176.714 176.094 0.027 0.000 1.054 642 V CA 0.203 62.517 62.300 0.025 0.000 1.106 642 V CB 1.178 32.992 31.823 -0.015 0.000 0.957 642 V HN 0.139 nan 8.190 nan 0.000 0.486 643 T N 6.799 121.375 114.554 0.036 0.000 2.727 643 T HA 0.439 4.790 4.350 0.002 0.000 0.298 643 T C -0.091 174.604 174.700 -0.009 0.000 0.942 643 T CA -0.201 61.912 62.100 0.022 0.000 0.997 643 T CB 0.046 68.926 68.868 0.020 0.000 0.917 643 T HN 0.352 nan 8.240 nan 0.000 0.487 644 L N 4.782 126.015 121.223 0.017 0.000 2.290 644 L HA 0.363 4.704 4.340 0.002 0.000 0.284 644 L C 1.003 177.886 176.870 0.022 0.000 1.078 644 L CA -0.357 54.502 54.840 0.032 0.000 0.815 644 L CB 0.894 43.009 42.059 0.092 0.000 1.162 644 L HN 0.629 nan 8.230 nan 0.000 0.435 645 L N 2.460 123.673 121.223 -0.016 0.000 2.467 645 L HA 0.271 4.612 4.340 0.002 0.000 0.213 645 L C 0.452 177.326 176.870 0.007 0.000 1.053 645 L CA 0.180 54.995 54.840 -0.042 0.000 0.847 645 L CB 0.144 42.126 42.059 -0.128 0.000 1.075 645 L HN 0.521 nan 8.230 nan 0.000 0.479 646 R N 0.589 121.103 120.500 0.023 0.000 2.538 646 R HA 0.631 4.972 4.340 0.002 0.000 0.292 646 R C -1.117 175.204 176.300 0.036 0.000 1.008 646 R CA -0.218 55.901 56.100 0.033 0.000 0.896 646 R CB 1.937 32.289 30.300 0.088 0.000 1.187 646 R HN -0.051 nan 8.270 nan 0.000 0.440 647 A N 2.955 125.848 122.820 0.121 0.000 3.370 647 A HA 0.303 4.624 4.320 0.002 0.000 0.295 647 A C -0.830 176.871 177.584 0.195 0.000 1.030 647 A CA -0.667 51.491 52.037 0.200 0.000 0.883 647 A CB 0.260 19.475 19.000 0.358 0.000 1.191 647 A HN 0.434 nan 8.150 nan 0.000 0.507 648 D N 0.004 120.475 120.400 0.118 0.000 2.253 648 D HA 0.503 5.144 4.640 0.002 0.000 0.249 648 D C 1.227 177.576 176.300 0.081 0.000 1.049 648 D CA 1.148 55.212 54.000 0.105 0.000 0.929 648 D CB 1.458 42.305 40.800 0.078 0.000 1.176 648 D HN 0.910 nan 8.370 nan 0.000 0.437 649 G N 0.580 109.419 108.800 0.065 0.000 2.249 649 G HA2 -0.102 3.860 3.960 0.002 0.000 0.273 649 G HA3 -0.102 3.860 3.960 0.002 0.000 0.273 649 G C 0.978 175.890 174.900 0.020 0.000 1.036 649 G CA 0.649 45.774 45.100 0.041 0.000 0.824 649 G HN 1.214 nan 8.290 nan 0.000 0.504 650 G N -1.697 107.088 108.800 -0.024 0.000 2.143 650 G HA2 0.031 3.992 3.960 0.002 0.000 0.248 650 G HA3 0.031 3.992 3.960 0.002 0.000 0.248 650 G C 0.270 175.186 174.900 0.028 0.000 0.991 650 G CA 1.567 46.599 45.100 -0.113 0.000 0.689 650 G HN 2.106 nan 8.290 nan 0.000 0.522 651 Q N -1.891 118.005 119.800 0.159 0.000 2.814 651 Q HA 0.748 5.089 4.340 0.002 0.000 0.322 651 Q C -1.255 174.917 176.000 0.287 0.000 0.888 651 Q CA -1.029 54.949 55.803 0.291 0.000 0.768 651 Q CB 1.840 30.674 28.738 0.159 0.000 1.443 651 Q HN 0.466 nan 8.270 nan 0.000 0.497 652 V N 1.350 121.380 119.914 0.194 0.000 2.459 652 V HA 0.183 4.305 4.120 0.002 0.000 0.295 652 V C -0.344 175.790 176.094 0.066 0.000 1.029 652 V CA -0.342 62.033 62.300 0.124 0.000 0.874 652 V CB 1.358 33.208 31.823 0.045 0.000 0.985 652 V HN 0.795 nan 8.190 nan 0.000 0.438 653 Q N 2.887 122.594 119.800 -0.154 0.000 2.402 653 Q HA 0.433 4.774 4.340 0.002 0.000 0.231 653 Q C -0.322 175.308 176.000 -0.616 0.000 0.888 653 Q CA 0.256 55.695 55.803 -0.606 0.000 0.938 653 Q CB 0.897 28.790 28.738 -1.410 0.000 1.086 653 Q HN 0.582 nan 8.270 nan 0.000 0.543 654 L N -0.194 120.870 121.223 -0.266 0.000 2.543 654 L HA 0.815 5.156 4.340 0.002 0.000 0.265 654 L C -2.058 174.811 176.870 -0.001 0.000 0.945 654 L CA -0.533 54.241 54.840 -0.110 0.000 0.869 654 L CB 1.894 43.957 42.059 0.007 0.000 1.294 654 L HN -0.033 nan 8.230 nan 0.000 0.405 655 A N 2.286 125.132 122.820 0.043 0.000 2.606 655 A HA 0.857 5.178 4.320 0.002 0.000 0.293 655 A C -1.191 176.413 177.584 0.034 0.000 1.082 655 A CA -0.210 51.845 52.037 0.031 0.000 0.685 655 A CB 2.004 21.041 19.000 0.062 0.000 1.284 655 A HN 0.662 nan 8.150 nan 0.000 0.408 656 T N 0.167 114.727 114.554 0.011 0.000 2.900 656 T HA 0.658 5.009 4.350 0.002 0.000 0.295 656 T C -1.395 173.368 174.700 0.105 0.000 1.044 656 T CA -0.494 61.653 62.100 0.078 0.000 0.995 656 T CB 1.162 70.094 68.868 0.106 0.000 1.072 656 T HN 0.905 nan 8.240 nan 0.000 0.473 657 N N 2.504 121.284 118.700 0.134 0.000 2.336 657 N HA 0.401 5.142 4.740 0.002 0.000 0.290 657 N C -1.677 173.928 175.510 0.158 0.000 1.058 657 N CA -0.541 52.587 53.050 0.131 0.000 0.865 657 N CB 1.653 40.208 38.487 0.113 0.000 1.581 657 N HN 0.481 nan 8.380 nan 0.000 0.480 658 D N 1.412 121.905 120.400 0.154 0.000 2.345 658 D HA 0.126 4.768 4.640 0.002 0.000 0.247 658 D C -0.937 175.491 176.300 0.213 0.000 1.108 658 D CA 0.739 54.834 54.000 0.159 0.000 0.894 658 D CB 0.515 41.390 40.800 0.125 0.000 1.203 658 D HN 0.441 nan 8.370 nan 0.000 0.430 659 Y N 1.430 121.755 120.300 0.040 0.000 2.541 659 Y HA 0.398 4.949 4.550 0.002 0.000 0.350 659 Y C 0.721 176.623 175.900 0.003 0.000 1.075 659 Y CA 0.164 58.277 58.100 0.021 0.000 1.302 659 Y CB 0.511 38.985 38.460 0.023 0.000 1.094 659 Y HN 0.650 nan 8.280 nan 0.000 0.579 660 G N 3.559 112.275 108.800 -0.139 0.000 2.583 660 G HA2 -0.439 3.522 3.960 0.002 0.000 0.292 660 G HA3 -0.439 3.522 3.960 0.002 0.000 0.292 660 G C 1.033 175.908 174.900 -0.043 0.000 1.203 660 G CA 0.616 45.647 45.100 -0.116 0.000 0.987 660 G HN 0.663 nan 8.290 nan 0.000 0.554 661 K N 0.910 121.274 120.400 -0.061 0.000 2.288 661 K HA 0.202 4.524 4.320 0.002 0.000 0.201 661 K C 1.681 178.263 176.600 -0.029 0.000 1.048 661 K CA 1.474 57.702 56.287 -0.098 0.000 0.956 661 K CB -0.574 31.851 32.500 -0.125 0.000 0.746 661 K HN 0.799 nan 8.250 nan 0.000 0.461 662 G N -0.135 108.686 108.800 0.035 0.000 2.671 662 G HA2 0.519 4.480 3.960 0.002 0.000 0.275 662 G HA3 0.519 4.480 3.960 0.002 0.000 0.275 662 G C -1.026 173.952 174.900 0.129 0.000 1.368 662 G CA -0.662 44.476 45.100 0.064 0.000 1.044 662 G HN 0.146 nan 8.290 nan 0.000 0.543 663 R N -2.030 118.508 120.500 0.064 0.000 2.707 663 R HA 0.553 4.895 4.340 0.002 0.000 0.272 663 R C -0.552 175.806 176.300 0.098 0.000 1.011 663 R CA -0.656 55.488 56.100 0.075 0.000 0.893 663 R CB 2.369 32.644 30.300 -0.042 0.000 1.233 663 R HN 0.778 nan 8.270 nan 0.000 0.464 664 G N 0.640 109.510 108.800 0.118 0.000 2.432 664 G HA2 0.606 4.567 3.960 0.002 0.000 0.331 664 G HA3 0.606 4.567 3.960 0.002 0.000 0.331 664 G C -1.256 173.731 174.900 0.145 0.000 1.170 664 G CA -0.404 44.785 45.100 0.148 0.000 0.943 664 G HN 0.267 nan 8.290 nan 0.000 0.483 665 V N 1.280 121.277 119.914 0.139 0.000 2.638 665 V HA 0.388 4.510 4.120 0.002 0.000 0.306 665 V C -1.424 174.742 176.094 0.120 0.000 1.052 665 V CA -0.851 61.517 62.300 0.113 0.000 0.885 665 V CB 1.773 33.645 31.823 0.083 0.000 0.999 665 V HN 0.746 nan 8.190 nan 0.000 0.424 666 Y N 5.664 125.964 120.300 -0.001 0.000 2.341 666 Y HA 0.781 5.332 4.550 0.002 0.000 0.337 666 Y C -0.542 175.340 175.900 -0.031 0.000 1.014 666 Y CA -1.065 57.023 58.100 -0.020 0.000 1.111 666 Y CB 1.351 39.810 38.460 -0.002 0.000 1.194 666 Y HN 0.541 nan 8.280 nan 0.000 0.462 667 I N 5.287 125.348 120.570 -0.848 0.000 2.466 667 I HA 0.217 4.388 4.170 0.002 0.000 0.289 667 I C 0.723 176.248 176.117 -0.987 0.000 1.026 667 I CA -0.534 60.356 61.300 -0.683 0.000 1.078 667 I CB 2.349 40.204 38.000 -0.243 0.000 1.249 667 I HN 0.743 nan 8.210 nan 0.000 0.429 668 S N 3.293 118.527 115.700 -0.776 0.000 2.428 668 S HA 0.239 4.710 4.470 0.002 0.000 0.230 668 S C 0.801 175.278 174.600 -0.206 0.000 1.014 668 S CA 0.444 58.395 58.200 -0.413 0.000 0.957 668 S CB 0.102 63.206 63.200 -0.162 0.000 0.784 668 S HN 0.923 nan 8.310 nan 0.000 0.499 669 G N -0.247 108.459 108.800 -0.156 0.000 2.579 669 G HA2 0.538 4.499 3.960 0.002 0.000 0.292 669 G HA3 0.538 4.499 3.960 0.002 0.000 0.292 669 G C -2.055 172.766 174.900 -0.133 0.000 1.484 669 G CA -0.839 44.118 45.100 -0.239 0.000 0.813 669 G HN 0.420 nan 8.290 nan 0.000 0.515 670 L N 1.391 122.453 121.223 -0.270 0.000 2.448 670 L HA 0.437 4.779 4.340 0.002 0.000 0.257 670 L C -2.532 174.227 176.870 -0.185 0.000 1.504 670 L CA -1.134 53.597 54.840 -0.181 0.000 0.852 670 L CB 1.908 43.898 42.059 -0.116 0.000 1.051 670 L HN 0.271 nan 8.230 nan 0.000 0.518 671 P HA -0.042 nan 4.420 nan 0.000 0.266 671 P C -1.135 176.183 177.300 0.031 0.000 1.195 671 P CA 0.236 63.303 63.100 -0.056 0.000 0.768 671 P CB 0.166 31.893 31.700 0.044 0.000 0.838 672 Y N 3.395 123.705 120.300 0.018 0.000 2.511 672 Y HA 0.316 4.868 4.550 0.002 0.000 0.332 672 Y C 0.404 176.302 175.900 -0.002 0.000 1.177 672 Y CA 0.902 59.003 58.100 0.001 0.000 1.422 672 Y CB 0.217 38.690 38.460 0.022 0.000 1.271 672 Y HN 0.540 nan 8.280 nan 0.000 0.550 673 S N 3.058 118.205 115.700 -0.921 0.000 2.636 673 S HA 0.659 5.131 4.470 0.002 0.000 0.268 673 S C 0.203 174.311 174.600 -0.820 0.000 1.159 673 S CA -0.614 57.065 58.200 -0.867 0.000 0.815 673 S CB 0.757 63.731 63.200 -0.376 0.000 1.130 673 S HN 0.983 nan 8.310 nan 0.000 0.471 674 A N 1.110 123.634 122.820 -0.492 0.000 1.883 674 A HA 0.255 4.576 4.320 0.002 0.000 0.217 674 A C 2.339 179.804 177.584 -0.197 0.000 1.186 674 A CA 2.297 54.174 52.037 -0.266 0.000 0.624 674 A CB -1.685 17.227 19.000 -0.146 0.000 0.822 674 A HN 1.668 nan 8.150 nan 0.000 0.444 675 A N 0.067 122.769 122.820 -0.198 0.000 1.902 675 A HA -0.199 4.123 4.320 0.002 0.000 0.217 675 A C 1.927 179.407 177.584 -0.173 0.000 1.181 675 A CA 1.928 53.866 52.037 -0.165 0.000 0.623 675 A CB -0.623 18.277 19.000 -0.167 0.000 0.818 675 A HN 0.533 nan 8.150 nan 0.000 0.443 676 N N 0.246 118.816 118.700 -0.216 0.000 2.270 676 N HA -0.020 4.721 4.740 0.002 0.000 0.181 676 N C 1.802 177.249 175.510 -0.105 0.000 1.016 676 N CA 1.395 54.332 53.050 -0.187 0.000 0.870 676 N CB -0.530 37.831 38.487 -0.209 0.000 0.979 676 N HN 0.457 nan 8.380 nan 0.000 0.431 677 A N 0.945 123.706 122.820 -0.097 0.000 1.933 677 A HA -0.116 4.205 4.320 0.002 0.000 0.218 677 A C 2.253 179.858 177.584 0.034 0.000 1.175 677 A CA 1.419 53.472 52.037 0.027 0.000 0.628 677 A CB -0.382 18.692 19.000 0.123 0.000 0.814 677 A HN 0.139 nan 8.150 nan 0.000 0.444 678 R N -0.238 120.259 120.500 -0.006 0.000 2.081 678 R HA -0.096 4.245 4.340 0.002 0.000 0.235 678 R C 1.848 178.151 176.300 0.004 0.000 1.131 678 R CA 1.759 57.869 56.100 0.015 0.000 0.960 678 R CB -1.081 29.204 30.300 -0.025 0.000 0.856 678 R HN 0.424 nan 8.270 nan 0.000 0.436 679 L N 0.001 121.198 121.223 -0.044 0.000 2.012 679 L HA -0.110 4.232 4.340 0.002 0.000 0.210 679 L C 2.069 178.947 176.870 0.015 0.000 1.073 679 L CA 1.734 56.546 54.840 -0.047 0.000 0.748 679 L CB -0.751 41.251 42.059 -0.096 0.000 0.891 679 L HN 0.364 nan 8.230 nan 0.000 0.431 680 L N -0.344 120.894 121.223 0.026 0.000 2.046 680 L HA -0.215 4.126 4.340 0.002 0.000 0.208 680 L C 2.462 179.406 176.870 0.123 0.000 1.077 680 L CA 2.052 56.925 54.840 0.057 0.000 0.747 680 L CB -0.828 41.257 42.059 0.044 0.000 0.896 680 L HN 0.507 nan 8.230 nan 0.000 0.432 681 E N -0.610 119.689 120.200 0.165 0.000 2.058 681 E HA -0.283 4.069 4.350 0.002 0.000 0.194 681 E C 2.331 179.202 176.600 0.450 0.000 0.997 681 E CA 1.514 58.099 56.400 0.307 0.000 0.801 681 E CB -0.076 29.820 29.700 0.328 0.000 0.746 681 E HN 0.472 nan 8.360 nan 0.000 0.450 682 R N -0.148 120.522 120.500 0.283 0.000 2.096 682 R HA -0.112 4.229 4.340 0.002 0.000 0.235 682 R C 2.466 179.015 176.300 0.414 0.000 1.127 682 R CA 1.185 57.445 56.100 0.267 0.000 0.968 682 R CB -0.269 29.945 30.300 -0.143 0.000 0.861 682 R HN 0.125 nan 8.270 nan 0.000 0.440 683 V N 1.713 121.778 119.914 0.251 0.000 2.287 683 V HA -0.271 3.851 4.120 0.002 0.000 0.248 683 V C 2.297 178.529 176.094 0.230 0.000 1.053 683 V CA 1.812 64.244 62.300 0.220 0.000 1.027 683 V CB -0.412 31.476 31.823 0.109 0.000 0.646 683 V HN 0.292 nan 8.190 nan 0.000 0.447 684 L N -1.675 119.661 121.223 0.188 0.000 2.017 684 L HA -0.159 4.182 4.340 0.002 0.000 0.208 684 L C 2.412 179.309 176.870 0.045 0.000 1.073 684 L CA 1.718 56.597 54.840 0.065 0.000 0.745 684 L CB -0.670 41.369 42.059 -0.034 0.000 0.894 684 L HN 0.238 nan 8.230 nan 0.000 0.432 685 F N -1.271 118.813 119.950 0.222 0.000 2.146 685 F HA -0.242 4.286 4.527 0.002 0.000 0.298 685 F C 2.546 178.386 175.800 0.067 0.000 1.096 685 F CA 1.514 59.635 58.000 0.202 0.000 1.275 685 F CB -0.604 38.628 39.000 0.386 0.000 1.008 685 F HN -0.052 nan 8.300 nan 0.000 0.480 686 Y N 0.480 120.873 120.300 0.156 0.000 2.200 686 Y HA -0.133 4.418 4.550 0.002 0.000 0.290 686 Y C 2.353 178.174 175.900 -0.132 0.000 1.137 686 Y CA 1.202 59.241 58.100 -0.103 0.000 1.163 686 Y CB -0.631 37.860 38.460 0.053 0.000 0.988 686 Y HN -0.026 nan 8.280 nan 0.000 0.518 687 A N -0.604 122.254 122.820 0.063 0.000 1.969 687 A HA -0.143 4.178 4.320 0.002 0.000 0.218 687 A C 2.155 179.652 177.584 -0.145 0.000 1.169 687 A CA 1.702 53.716 52.037 -0.038 0.000 0.635 687 A CB -1.091 17.952 19.000 0.072 0.000 0.810 687 A HN 0.524 nan 8.150 nan 0.000 0.445 688 S N -2.097 113.542 115.700 -0.101 0.000 2.671 688 S HA 0.082 4.553 4.470 0.002 0.000 0.220 688 S C 0.445 175.023 174.600 -0.036 0.000 0.951 688 S CA 0.265 58.420 58.200 -0.074 0.000 0.932 688 S CB -0.584 62.583 63.200 -0.056 0.000 0.777 688 S HN 0.572 nan 8.310 nan 0.000 0.508 689 H N 0.759 119.715 119.070 -0.189 0.000 2.791 689 H HA -0.140 4.417 4.556 0.002 0.000 0.302 689 H C -0.535 174.722 175.328 -0.119 0.000 1.198 689 H CA 1.069 56.988 56.048 -0.215 0.000 1.145 689 H CB -2.110 27.544 29.762 -0.180 0.000 1.385 689 H HN 0.688 nan 8.280 nan 0.000 0.409 690 N N 0.120 118.829 118.700 0.016 0.000 2.401 690 N HA 0.053 4.795 4.740 0.002 0.000 0.264 690 N C 0.978 176.603 175.510 0.193 0.000 1.238 690 N CA -0.184 52.953 53.050 0.145 0.000 0.889 690 N CB 0.568 39.190 38.487 0.225 0.000 1.196 690 N HN 0.304 nan 8.380 nan 0.000 0.511 691 E N 0.687 120.845 120.200 -0.070 0.000 2.118 691 E HA -0.235 4.116 4.350 0.002 0.000 0.195 691 E C 1.481 178.094 176.600 0.021 0.000 0.992 691 E CA 1.300 57.551 56.400 -0.249 0.000 0.804 691 E CB -0.017 29.292 29.700 -0.652 0.000 0.741 691 E HN 0.491 nan 8.360 nan 0.000 0.458 692 D N 0.996 121.414 120.400 0.030 0.000 2.219 692 D HA -0.189 4.452 4.640 0.002 0.000 0.205 692 D C 1.321 177.668 176.300 0.078 0.000 0.970 692 D CA 1.047 55.079 54.000 0.053 0.000 0.851 692 D CB -0.180 40.637 40.800 0.029 0.000 0.943 692 D HN 0.099 nan 8.370 nan 0.000 0.488 693 K N -0.961 119.524 120.400 0.142 0.000 2.418 693 K HA -0.068 4.253 4.320 0.002 0.000 0.195 693 K C 1.753 178.380 176.600 0.046 0.000 1.035 693 K CA 0.011 56.398 56.287 0.168 0.000 1.003 693 K CB -0.144 32.547 32.500 0.318 0.000 0.793 693 K HN 0.203 nan 8.250 nan 0.000 0.494 694 Y N 1.657 121.837 120.300 -0.200 0.000 2.128 694 Y HA -0.282 4.269 4.550 0.002 0.000 0.284 694 Y C 2.163 177.806 175.900 -0.430 0.000 1.154 694 Y CA 1.721 59.394 58.100 -0.713 0.000 1.149 694 Y CB -0.275 38.001 38.460 -0.308 0.000 0.976 694 Y HN 0.022 nan 8.280 nan 0.000 0.505 695 A N 1.215 123.886 122.820 -0.249 0.000 1.933 695 A HA 0.109 4.430 4.320 0.002 0.000 0.218 695 A C 1.605 178.940 177.584 -0.414 0.000 1.175 695 A CA 0.743 52.589 52.037 -0.318 0.000 0.628 695 A CB -1.560 17.376 19.000 -0.107 0.000 0.814 695 A HN 0.561 nan 8.150 nan 0.000 0.444 696 A N -1.514 121.084 122.820 -0.369 0.000 2.545 696 A HA 0.325 4.647 4.320 0.002 0.000 0.253 696 A C 0.089 177.404 177.584 -0.447 0.000 1.074 696 A CA 0.283 51.998 52.037 -0.536 0.000 0.760 696 A CB -1.300 17.462 19.000 -0.398 0.000 1.005 696 A HN 0.953 nan 8.150 nan 0.000 0.506 697 W N 0.829 121.939 121.300 -0.315 0.000 5.324 697 W HA -0.195 4.466 4.660 0.002 0.000 0.404 697 W C 0.635 176.970 176.519 -0.305 0.000 1.566 697 W CA 0.570 57.711 57.345 -0.340 0.000 0.927 697 W CB -2.100 27.193 29.460 -0.279 0.000 2.757 697 W HN 1.153 nan 8.180 nan 0.000 1.382 698 S N -1.203 114.362 115.700 -0.225 0.000 2.599 698 S HA 0.805 5.276 4.470 0.002 0.000 0.287 698 S C -0.446 174.043 174.600 -0.186 0.000 1.105 698 S CA -0.481 57.553 58.200 -0.276 0.000 0.899 698 S CB 2.226 65.087 63.200 -0.565 0.000 1.100 698 S HN 0.466 nan 8.310 nan 0.000 0.482 699 S N 0.971 116.590 115.700 -0.135 0.000 2.442 699 S HA 0.414 4.885 4.470 0.002 0.000 0.297 699 S C 1.284 175.855 174.600 -0.048 0.000 1.131 699 S CA -0.074 58.084 58.200 -0.071 0.000 1.092 699 S CB 0.800 63.966 63.200 -0.058 0.000 0.998 699 S HN 1.123 nan 8.310 nan 0.000 0.478 700 S N 4.258 119.945 115.700 -0.021 0.000 2.370 700 S HA -0.124 4.347 4.470 0.002 0.000 0.226 700 S C 0.873 175.471 174.600 -0.004 0.000 1.033 700 S CA 0.724 58.921 58.200 -0.004 0.000 1.011 700 S CB -0.714 62.487 63.200 0.002 0.000 0.852 700 S HN 0.757 nan 8.310 nan 0.000 0.457 701 N N 3.136 121.835 118.700 -0.003 0.000 2.442 701 N HA 0.263 5.004 4.740 0.002 0.000 0.265 701 N C -2.324 173.177 175.510 -0.015 0.000 1.138 701 N CA -2.137 50.909 53.050 -0.008 0.000 0.956 701 N CB 1.372 39.860 38.487 0.002 0.000 1.067 701 N HN 0.030 nan 8.380 nan 0.000 0.474 702 P HA -0.015 nan 4.420 nan 0.000 0.230 702 P C 0.328 177.612 177.300 -0.027 0.000 1.158 702 P CA 0.852 63.937 63.100 -0.025 0.000 0.769 702 P CB 0.387 32.061 31.700 -0.044 0.000 0.807 703 E N -1.389 118.796 120.200 -0.026 0.000 2.502 703 E HA 0.019 4.370 4.350 0.002 0.000 0.194 703 E C 0.294 176.884 176.600 -0.017 0.000 1.062 703 E CA 0.367 56.754 56.400 -0.021 0.000 0.867 703 E CB -0.239 29.451 29.700 -0.017 0.000 0.888 703 E HN 0.277 nan 8.360 nan 0.000 0.510 704 C N 0.344 119.630 119.300 -0.023 0.000 2.667 704 C HA 0.569 5.030 4.460 0.002 0.000 0.323 704 C C 0.248 175.211 174.990 -0.045 0.000 1.214 704 C CA -0.848 58.146 59.018 -0.040 0.000 1.721 704 C CB 1.903 29.612 27.740 -0.051 0.000 2.275 704 C HN 0.169 nan 8.230 nan 0.000 0.491 705 E N -0.026 120.135 120.200 -0.065 0.000 2.393 705 E HA 0.662 5.013 4.350 0.002 0.000 0.273 705 E C -1.632 174.918 176.600 -0.084 0.000 0.918 705 E CA -0.529 55.836 56.400 -0.059 0.000 0.773 705 E CB 2.350 32.026 29.700 -0.039 0.000 1.275 705 E HN 0.387 nan 8.360 nan 0.000 0.451 706 V N 1.104 120.981 119.914 -0.062 0.000 2.555 706 V HA 0.728 4.850 4.120 0.002 0.000 0.302 706 V C -0.761 175.305 176.094 -0.048 0.000 1.038 706 V CA -0.613 61.661 62.300 -0.044 0.000 0.887 706 V CB 1.572 33.383 31.823 -0.020 0.000 0.991 706 V HN 0.748 nan 8.190 nan 0.000 0.434 707 A N 3.116 125.901 122.820 -0.059 0.000 2.335 707 A HA 0.649 4.970 4.320 0.002 0.000 0.304 707 A C -0.823 176.612 177.584 -0.248 0.000 1.118 707 A CA -0.517 51.403 52.037 -0.194 0.000 0.757 707 A CB 0.739 19.630 19.000 -0.182 0.000 1.188 707 A HN 0.990 nan 8.150 nan 0.000 0.460 708 H N 2.301 121.007 119.070 -0.605 0.000 2.459 708 H HA 0.584 5.142 4.556 0.002 0.000 0.332 708 H C -1.712 173.123 175.328 -0.821 0.000 1.094 708 H CA -0.649 54.984 56.048 -0.692 0.000 1.224 708 H CB 0.762 29.842 29.762 -1.137 0.000 1.449 708 H HN 0.520 nan 8.280 nan 0.000 0.484 709 F N 7.165 126.861 119.950 -0.423 0.000 2.453 709 F HA 0.236 4.764 4.527 0.002 0.000 0.358 709 F C -1.674 173.823 175.800 -0.504 0.000 1.129 709 F CA -2.078 55.705 58.000 -0.362 0.000 1.200 709 F CB 1.317 40.267 39.000 -0.083 0.000 1.431 709 F HN 0.522 nan 8.300 nan 0.000 0.503 710 P HA -0.228 nan 4.420 nan 0.000 0.219 710 P C 1.277 178.511 177.300 -0.109 0.000 1.146 710 P CA 1.563 64.378 63.100 -0.475 0.000 0.808 710 P CB 0.301 31.773 31.700 -0.380 0.000 0.779 711 E N 0.955 121.113 120.200 -0.070 0.000 2.006 711 E HA -0.198 4.153 4.350 0.002 0.000 0.192 711 E C 1.825 178.433 176.600 0.013 0.000 0.993 711 E CA 1.151 57.546 56.400 -0.008 0.000 0.808 711 E CB -1.395 28.305 29.700 -0.000 0.000 0.764 711 E HN 0.186 nan 8.360 nan 0.000 0.449 712 Q N 0.734 120.548 119.800 0.024 0.000 2.561 712 Q HA -0.017 4.324 4.340 0.002 0.000 0.217 712 Q C 0.596 176.625 176.000 0.048 0.000 0.980 712 Q CA 1.065 56.874 55.803 0.011 0.000 0.927 712 Q CB -0.474 28.245 28.738 -0.031 0.000 0.980 712 Q HN 0.650 nan 8.270 nan 0.000 0.525 713 G N 1.440 110.286 108.800 0.078 0.000 2.323 713 G HA2 -0.247 3.715 3.960 0.002 0.000 0.292 713 G HA3 -0.247 3.715 3.960 0.002 0.000 0.292 713 G C -0.442 174.578 174.900 0.200 0.000 1.040 713 G CA 0.659 45.840 45.100 0.134 0.000 0.942 713 G HN 0.301 nan 8.290 nan 0.000 0.506 714 L N -0.368 121.007 121.223 0.255 0.000 2.465 714 L HA 0.901 5.242 4.340 0.002 0.000 0.257 714 L C -0.627 176.562 176.870 0.531 0.000 0.988 714 L CA -1.762 53.283 54.840 0.342 0.000 0.827 714 L CB 1.792 44.010 42.059 0.264 0.000 1.397 714 L HN 0.673 nan 8.230 nan 0.000 0.410 715 Y N 1.550 122.090 120.300 0.399 0.000 2.581 715 Y HA 0.824 5.375 4.550 0.002 0.000 0.345 715 Y C -0.679 175.336 175.900 0.192 0.000 1.036 715 Y CA -1.174 57.116 58.100 0.317 0.000 1.042 715 Y CB 1.105 39.671 38.460 0.177 0.000 1.289 715 Y HN 0.883 nan 8.280 nan 0.000 0.471 716 C N 1.479 120.768 119.300 -0.017 0.000 2.848 716 C HA 0.926 5.387 4.460 0.002 0.000 0.317 716 C C -0.884 173.932 174.990 -0.292 0.000 1.260 716 C CA -1.076 57.575 59.018 -0.611 0.000 1.656 716 C CB 1.197 27.915 27.740 -1.704 0.000 2.174 716 C HN 1.125 nan 8.230 nan 0.000 0.479 717 V N 3.109 122.747 119.914 -0.460 0.000 2.638 717 V HA 0.764 4.886 4.120 0.002 0.000 0.306 717 V C -0.497 175.395 176.094 -0.336 0.000 1.052 717 V CA -0.515 61.564 62.300 -0.368 0.000 0.885 717 V CB 1.571 33.064 31.823 -0.551 0.000 0.999 717 V HN 1.036 nan 8.190 nan 0.000 0.424 718 I N 3.226 123.663 120.570 -0.222 0.000 2.603 718 I HA 0.662 4.833 4.170 0.002 0.000 0.300 718 I C -0.545 175.514 176.117 -0.098 0.000 1.017 718 I CA -0.772 60.434 61.300 -0.156 0.000 1.098 718 I CB 2.054 39.969 38.000 -0.141 0.000 1.279 718 I HN 0.558 nan 8.210 nan 0.000 0.437 719 N N 3.546 122.214 118.700 -0.053 0.000 2.439 719 N HA 0.263 5.004 4.740 0.002 0.000 0.249 719 N C -0.259 175.244 175.510 -0.011 0.000 1.003 719 N CA -0.262 52.776 53.050 -0.020 0.000 0.942 719 N CB 0.522 39.015 38.487 0.009 0.000 1.115 719 N HN 0.738 nan 8.380 nan 0.000 0.505 720 N N 0.843 119.536 118.700 -0.012 0.000 2.521 720 N HA -0.036 4.705 4.740 0.002 0.000 0.188 720 N C -0.051 175.474 175.510 0.024 0.000 1.146 720 N CA 0.279 53.328 53.050 -0.002 0.000 0.893 720 N CB 0.317 38.812 38.487 0.013 0.000 0.975 720 N HN 0.632 nan 8.380 nan 0.000 0.451 721 T N -2.238 112.332 114.554 0.026 0.000 2.940 721 T HA 0.191 4.542 4.350 0.002 0.000 0.288 721 T C 0.197 174.925 174.700 0.047 0.000 1.045 721 T CA -0.933 61.188 62.100 0.035 0.000 1.018 721 T CB 1.655 70.536 68.868 0.022 0.000 1.151 721 T HN -0.022 nan 8.240 nan 0.000 0.529 722 D N -0.337 120.092 120.400 0.049 0.000 2.325 722 D HA 0.119 4.760 4.640 0.002 0.000 0.234 722 D C 0.139 176.461 176.300 0.037 0.000 1.122 722 D CA -0.107 53.924 54.000 0.051 0.000 0.850 722 D CB 0.037 40.870 40.800 0.055 0.000 0.921 722 D HN 0.346 nan 8.370 nan 0.000 0.513 723 Q N 0.727 120.545 119.800 0.031 0.000 2.399 723 Q HA 0.414 4.755 4.340 0.002 0.000 0.276 723 Q C -2.627 173.390 176.000 0.027 0.000 1.098 723 Q CA -2.246 53.572 55.803 0.025 0.000 0.827 723 Q CB 1.885 30.634 28.738 0.018 0.000 1.386 723 Q HN 0.077 nan 8.270 nan 0.000 0.443 724 P HA 0.030 nan 4.420 nan 0.000 0.269 724 P C -0.745 176.572 177.300 0.029 0.000 1.209 724 P CA 0.090 63.208 63.100 0.031 0.000 0.776 724 P CB 0.727 32.445 31.700 0.029 0.000 0.876 725 Q N 1.545 121.367 119.800 0.036 0.000 2.263 725 Q HA 0.316 4.657 4.340 0.002 0.000 0.266 725 Q C -0.478 175.554 176.000 0.052 0.000 1.002 725 Q CA -0.548 55.275 55.803 0.033 0.000 0.790 725 Q CB 2.691 31.442 28.738 0.022 0.000 1.272 725 Q HN 0.419 nan 8.270 nan 0.000 0.435 726 K N 1.005 121.435 120.400 0.050 0.000 2.143 726 K HA 0.662 4.983 4.320 0.002 0.000 0.272 726 K C -0.127 176.516 176.600 0.072 0.000 1.001 726 K CA -0.243 56.086 56.287 0.070 0.000 0.915 726 K CB 1.505 34.036 32.500 0.052 0.000 1.047 726 K HN 0.464 nan 8.250 nan 0.000 0.458 727 T N 0.566 115.191 114.554 0.118 0.000 2.853 727 T HA 0.282 4.633 4.350 0.002 0.000 0.311 727 T C -1.374 173.431 174.700 0.175 0.000 1.307 727 T CA -0.548 61.618 62.100 0.109 0.000 1.019 727 T CB 1.669 70.580 68.868 0.071 0.000 1.264 727 T HN 0.440 nan 8.240 nan 0.000 0.497 728 T N 2.625 117.250 114.554 0.119 0.000 2.779 728 T HA 0.594 4.945 4.350 0.002 0.000 0.280 728 T C -0.404 174.363 174.700 0.112 0.000 0.987 728 T CA -0.433 61.743 62.100 0.127 0.000 0.966 728 T CB 1.144 70.041 68.868 0.048 0.000 0.933 728 T HN 0.465 nan 8.240 nan 0.000 0.442 729 V N 3.850 123.884 119.914 0.200 0.000 2.481 729 V HA 0.427 4.548 4.120 0.002 0.000 0.286 729 V C 0.510 176.571 176.094 -0.055 0.000 1.042 729 V CA -0.581 61.764 62.300 0.075 0.000 0.928 729 V CB 1.718 33.654 31.823 0.188 0.000 0.986 729 V HN 0.932 nan 8.190 nan 0.000 0.462 730 T N 6.189 120.624 114.554 -0.199 0.000 2.794 730 T HA 0.629 4.980 4.350 0.002 0.000 0.280 730 T C -0.279 174.076 174.700 -0.574 0.000 0.987 730 T CA -0.315 61.606 62.100 -0.298 0.000 0.993 730 T CB 1.136 69.848 68.868 -0.261 0.000 0.939 730 T HN 0.224 nan 8.240 nan 0.000 0.449 731 L N 1.809 122.642 121.223 -0.650 0.000 2.448 731 L HA 0.560 4.901 4.340 0.002 0.000 0.258 731 L C 1.888 178.088 176.870 -1.117 0.000 1.104 731 L CA -0.233 53.896 54.840 -1.184 0.000 0.800 731 L CB 0.027 41.660 42.059 -0.710 0.000 1.241 731 L HN 0.750 nan 8.230 nan 0.000 0.472 732 A N 0.325 122.316 122.820 -1.381 0.000 1.978 732 A HA -0.203 4.118 4.320 0.002 0.000 0.220 732 A C 1.421 178.814 177.584 -0.319 0.000 1.170 732 A CA 1.850 53.489 52.037 -0.663 0.000 0.636 732 A CB -0.917 17.979 19.000 -0.173 0.000 0.810 732 A HN 0.906 nan 8.150 nan 0.000 0.448 733 D N -2.506 117.739 120.400 -0.258 0.000 2.349 733 D HA 0.295 4.936 4.640 0.002 0.000 0.224 733 D C 1.193 177.410 176.300 -0.140 0.000 1.029 733 D CA 0.981 54.900 54.000 -0.135 0.000 0.879 733 D CB -0.506 40.251 40.800 -0.072 0.000 0.906 733 D HN 0.774 nan 8.370 nan 0.000 0.528 734 G N 0.053 108.730 108.800 -0.204 0.000 2.217 734 G HA2 -0.300 3.661 3.960 0.002 0.000 0.246 734 G HA3 -0.300 3.661 3.960 0.002 0.000 0.246 734 G C 0.618 175.433 174.900 -0.142 0.000 0.990 734 G CA 0.509 45.512 45.100 -0.161 0.000 0.627 734 G HN 0.800 nan 8.290 nan 0.000 0.522 735 T N -0.060 114.410 114.554 -0.140 0.000 2.802 735 T HA 0.555 4.906 4.350 0.002 0.000 0.305 735 T C 0.504 175.133 174.700 -0.118 0.000 1.053 735 T CA 1.029 63.069 62.100 -0.099 0.000 1.058 735 T CB 1.606 70.437 68.868 -0.061 0.000 0.988 735 T HN 1.507 nan 8.240 nan 0.000 0.539 736 T N -1.515 112.997 114.554 -0.069 0.000 2.916 736 T HA 0.698 5.050 4.350 0.002 0.000 0.292 736 T C -1.096 173.599 174.700 -0.009 0.000 1.064 736 T CA -1.014 61.056 62.100 -0.050 0.000 1.011 736 T CB 2.171 71.013 68.868 -0.043 0.000 1.152 736 T HN 0.964 nan 8.240 nan 0.000 0.510 737 E N 0.293 120.513 120.200 0.033 0.000 2.308 737 E HA 0.428 4.780 4.350 0.002 0.000 0.275 737 E C -1.705 174.840 176.600 -0.092 0.000 0.890 737 E CA -0.719 55.651 56.400 -0.050 0.000 0.754 737 E CB 1.555 31.229 29.700 -0.044 0.000 1.207 737 E HN 0.625 nan 8.360 nan 0.000 0.426 738 D N 2.944 123.214 120.400 -0.217 0.000 2.210 738 D HA 0.377 5.019 4.640 0.002 0.000 0.249 738 D C -0.896 175.183 176.300 -0.367 0.000 1.062 738 D CA 0.189 54.108 54.000 -0.135 0.000 0.891 738 D CB 0.663 41.421 40.800 -0.068 0.000 1.186 738 D HN 0.242 nan 8.370 nan 0.000 0.432 739 F N 0.273 120.246 119.950 0.038 0.000 2.576 739 F HA 0.248 4.777 4.527 0.002 0.000 0.313 739 F C 0.121 175.937 175.800 0.028 0.000 1.078 739 F CA -0.974 57.049 58.000 0.039 0.000 0.921 739 F CB 1.940 40.968 39.000 0.046 0.000 1.232 739 F HN -0.004 nan 8.300 nan 0.000 0.459 740 D N 3.206 123.729 120.400 0.204 0.000 2.420 740 D HA 0.338 4.979 4.640 0.002 0.000 0.255 740 D C -1.194 175.187 176.300 0.134 0.000 1.185 740 D CA -0.119 53.958 54.000 0.128 0.000 0.904 740 D CB 0.667 41.512 40.800 0.076 0.000 1.102 740 D HN 0.394 nan 8.370 nan 0.000 0.534 741 L N 4.527 125.823 121.223 0.121 0.000 2.265 741 L HA 0.418 4.759 4.340 0.002 0.000 0.288 741 L C -1.901 175.011 176.870 0.070 0.000 1.058 741 L CA -1.698 53.199 54.840 0.093 0.000 0.809 741 L CB 1.198 43.291 42.059 0.055 0.000 1.179 741 L HN 0.162 nan 8.230 nan 0.000 0.429 742 P HA -0.033 nan 4.420 nan 0.000 0.271 742 P C -0.719 176.613 177.300 0.054 0.000 1.233 742 P CA -0.491 62.643 63.100 0.057 0.000 0.789 742 P CB 0.364 32.100 31.700 0.059 0.000 0.951 743 D N 1.546 121.972 120.400 0.043 0.000 3.988 743 D HA -0.177 4.464 4.640 0.002 0.000 0.201 743 D C -0.156 176.182 176.300 0.064 0.000 1.147 743 D CA 1.466 55.492 54.000 0.043 0.000 0.749 743 D CB -0.640 40.177 40.800 0.028 0.000 1.190 743 D HN 0.384 nan 8.370 nan 0.000 0.621 744 S N 0.780 116.528 115.700 0.079 0.000 3.380 744 S HA -0.153 4.318 4.470 0.002 0.000 0.300 744 S C 0.889 175.583 174.600 0.156 0.000 1.255 744 S CA 0.725 58.999 58.200 0.125 0.000 0.963 744 S CB -1.851 61.462 63.200 0.187 0.000 1.106 744 S HN 0.929 nan 8.310 nan 0.000 0.629 745 G N 0.059 108.925 108.800 0.110 0.000 2.621 745 G HA2 0.659 4.620 3.960 0.002 0.000 0.271 745 G HA3 0.659 4.620 3.960 0.002 0.000 0.271 745 G C -0.391 174.552 174.900 0.072 0.000 1.236 745 G CA -0.228 44.944 45.100 0.121 0.000 0.958 745 G HN 0.646 nan 8.290 nan 0.000 0.512 746 I N -1.087 119.521 120.570 0.063 0.000 2.752 746 I HA 0.649 4.820 4.170 0.002 0.000 0.295 746 I C -0.824 175.251 176.117 -0.070 0.000 1.219 746 I CA -0.981 60.282 61.300 -0.062 0.000 1.030 746 I CB 2.093 40.074 38.000 -0.031 0.000 1.259 746 I HN 0.750 nan 8.210 nan 0.000 0.423 747 A N 5.649 128.321 122.820 -0.246 0.000 2.393 747 A HA 0.757 5.078 4.320 0.002 0.000 0.306 747 A C -2.244 175.128 177.584 -0.353 0.000 1.050 747 A CA -0.352 51.613 52.037 -0.120 0.000 0.724 747 A CB 0.886 19.921 19.000 0.058 0.000 1.248 747 A HN 0.699 nan 8.150 nan 0.000 0.424 748 W N 1.570 122.859 121.300 -0.018 0.000 2.606 748 W HA 0.782 5.443 4.660 0.002 0.000 0.332 748 W C 0.309 176.748 176.519 -0.134 0.000 1.052 748 W CA -0.316 56.970 57.345 -0.098 0.000 1.223 748 W CB 1.634 31.059 29.460 -0.058 0.000 1.383 748 W HN 0.540 nan 8.180 nan 0.000 0.524 749 R N 1.171 121.615 120.500 -0.093 0.000 2.774 749 R HA 0.348 4.689 4.340 0.002 0.000 0.272 749 R C -0.449 175.837 176.300 -0.023 0.000 1.000 749 R CA -1.213 54.809 56.100 -0.130 0.000 0.906 749 R CB 1.823 31.941 30.300 -0.304 0.000 1.227 749 R HN 0.586 nan 8.270 nan 0.000 0.468 750 E N 0.000 120.264 120.200 0.106 0.000 2.725 750 E HA 0.000 4.351 4.350 0.002 0.000 0.291 750 E CA 0.000 56.508 56.400 0.180 0.000 0.976 750 E CB 0.000 29.781 29.700 0.134 0.000 0.812 750 E HN 0.000 nan 8.360 nan 0.000 0.440