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 2zus_1_D DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NSDXXXLDEA 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 0.000 174.585 174.600 -0.025 0.000 1.055 3 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 3 S CB 0.000 63.186 63.200 -0.023 0.000 0.593 4 T N 0.310 114.854 114.554 -0.016 0.000 2.894 4 T HA 0.839 5.183 4.350 -0.011 0.000 0.309 4 T C 0.215 174.918 174.700 0.005 0.000 1.208 4 T CA 1.093 63.185 62.100 -0.014 0.000 1.016 4 T CB 0.902 69.757 68.868 -0.021 0.000 1.192 4 T HN 2.596 nan 8.240 nan 0.000 0.491 5 G N 2.425 111.238 108.800 0.021 0.000 2.582 5 G HA2 -0.009 3.944 3.960 -0.011 0.000 0.222 5 G HA3 -0.009 3.944 3.960 -0.011 0.000 0.222 5 G C -0.437 174.523 174.900 0.100 0.000 1.311 5 G CA 0.052 45.181 45.100 0.049 0.000 0.915 5 G HN 1.150 nan 8.290 nan 0.000 0.528 6 R N -2.047 118.502 120.500 0.081 0.000 3.516 6 R HA -0.205 4.128 4.340 -0.011 0.000 0.271 6 R C -0.182 176.172 176.300 0.089 0.000 1.098 6 R CA 1.513 57.674 56.100 0.101 0.000 0.732 6 R CB -1.880 28.534 30.300 0.190 0.000 1.152 6 R HN 1.388 nan 8.270 nan 0.000 0.455 7 F N -0.711 119.193 119.950 -0.076 0.000 2.605 7 F HA 0.278 4.798 4.527 -0.011 0.000 0.320 7 F C -0.653 175.103 175.800 -0.074 0.000 1.159 7 F CA -0.484 57.449 58.000 -0.112 0.000 0.999 7 F CB 1.951 40.898 39.000 -0.090 0.000 1.258 7 F HN -0.147 nan 8.300 nan 0.000 0.464 8 T N 6.951 121.321 114.554 -0.308 0.000 2.779 8 T HA 0.530 4.873 4.350 -0.011 0.000 0.280 8 T C -1.170 173.445 174.700 -0.142 0.000 0.987 8 T CA -0.411 61.549 62.100 -0.235 0.000 0.966 8 T CB 1.360 70.000 68.868 -0.380 0.000 0.933 8 T HN 0.528 nan 8.240 nan 0.000 0.442 9 L N 6.322 127.624 121.223 0.132 0.000 2.325 9 L HA 0.694 5.027 4.340 -0.011 0.000 0.278 9 L C -2.533 174.443 176.870 0.176 0.000 1.023 9 L CA -2.109 52.934 54.840 0.338 0.000 0.811 9 L CB 1.351 43.696 42.059 0.478 0.000 1.249 9 L HN 0.293 nan 8.230 nan 0.000 0.431 10 P HA 0.289 nan 4.420 nan 0.000 0.282 10 P C -1.222 176.194 177.300 0.193 0.000 1.249 10 P CA -0.350 62.834 63.100 0.140 0.000 0.806 10 P CB 1.754 33.504 31.700 0.083 0.000 0.984 11 S N 0.593 116.384 115.700 0.151 0.000 2.806 11 S HA 0.591 5.054 4.470 -0.011 0.000 0.315 11 S C -1.127 173.569 174.600 0.161 0.000 1.127 11 S CA -0.526 57.781 58.200 0.178 0.000 0.918 11 S CB 1.030 64.324 63.200 0.157 0.000 1.240 11 S HN 0.569 nan 8.310 nan 0.000 0.552 12 E N 0.254 120.562 120.200 0.181 0.000 2.363 12 E HA 0.230 4.573 4.350 -0.011 0.000 0.281 12 E C -1.488 175.213 176.600 0.169 0.000 0.953 12 E CA -0.535 55.956 56.400 0.152 0.000 0.778 12 E CB 1.280 31.009 29.700 0.048 0.000 1.220 12 E HN 0.622 nan 8.360 nan 0.000 0.431 13 E N 1.920 122.199 120.200 0.133 0.000 2.413 13 E HA 0.043 4.386 4.350 -0.011 0.000 0.263 13 E C -0.428 176.258 176.600 0.144 0.000 1.015 13 E CA 0.372 56.844 56.400 0.121 0.000 0.916 13 E CB 0.195 29.948 29.700 0.089 0.000 0.947 13 E HN 0.619 nan 8.360 nan 0.000 0.440 14 N N 0.774 119.559 118.700 0.141 0.000 2.776 14 N HA -0.240 4.493 4.740 -0.011 0.000 0.249 14 N C -0.649 175.017 175.510 0.261 0.000 1.111 14 N CA 0.372 53.512 53.050 0.149 0.000 0.711 14 N CB -0.914 37.643 38.487 0.116 0.000 1.065 14 N HN 0.408 nan 8.380 nan 0.000 0.556 15 F N -0.761 119.200 119.950 0.019 0.000 2.739 15 F HA 0.597 5.118 4.527 -0.011 0.000 0.366 15 F C 1.325 177.127 175.800 0.005 0.000 1.279 15 F CA 0.001 58.009 58.000 0.013 0.000 1.151 15 F CB 0.072 39.090 39.000 0.030 0.000 1.132 15 F HN 0.110 nan 8.300 nan 0.000 0.511 16 A N 0.062 122.876 122.820 -0.010 0.000 1.902 16 A HA -0.144 4.170 4.320 -0.011 0.000 0.217 16 A C 2.235 179.741 177.584 -0.130 0.000 1.181 16 A CA 1.944 53.958 52.037 -0.038 0.000 0.623 16 A CB -0.366 18.624 19.000 -0.017 0.000 0.818 16 A HN 0.465 nan 8.150 nan 0.000 0.443 17 E N 0.253 120.334 120.200 -0.199 0.000 2.058 17 E HA -0.233 4.110 4.350 -0.011 0.000 0.194 17 E C 1.594 178.014 176.600 -0.300 0.000 0.997 17 E CA 1.254 57.520 56.400 -0.224 0.000 0.801 17 E CB -0.478 29.091 29.700 -0.219 0.000 0.746 17 E HN 0.419 nan 8.360 nan 0.000 0.450 18 K N 0.528 120.618 120.400 -0.517 0.000 2.103 18 K HA 0.028 4.341 4.320 -0.011 0.000 0.204 18 K C 2.323 178.752 176.600 -0.286 0.000 1.052 18 K CA 1.151 57.126 56.287 -0.519 0.000 0.945 18 K CB -0.474 31.428 32.500 -0.996 0.000 0.722 18 K HN 0.161 nan 8.250 nan 0.000 0.443 19 T N 1.784 116.233 114.554 -0.176 0.000 2.635 19 T HA -0.160 4.183 4.350 -0.011 0.000 0.267 19 T C 1.856 176.507 174.700 -0.081 0.000 1.040 19 T CA 1.437 63.522 62.100 -0.025 0.000 1.156 19 T CB -0.039 68.866 68.868 0.063 0.000 0.863 19 T HN 0.259 nan 8.240 nan 0.000 0.430 20 K N 0.649 120.988 120.400 -0.102 0.000 2.001 20 K HA -0.198 4.116 4.320 -0.011 0.000 0.214 20 K C 2.467 178.984 176.600 -0.139 0.000 1.050 20 K CA 1.696 57.923 56.287 -0.101 0.000 0.934 20 K CB -0.275 32.164 32.500 -0.101 0.000 0.718 20 K HN 0.471 nan 8.250 nan 0.000 0.443 21 E N 0.930 121.022 120.200 -0.180 0.000 2.058 21 E HA -0.198 4.146 4.350 -0.011 0.000 0.194 21 E C 2.151 178.577 176.600 -0.290 0.000 0.997 21 E CA 1.079 57.353 56.400 -0.210 0.000 0.801 21 E CB -0.014 29.555 29.700 -0.218 0.000 0.746 21 E HN 0.214 nan 8.360 nan 0.000 0.450 22 L N 0.314 121.318 121.223 -0.365 0.000 2.093 22 L HA -0.148 4.185 4.340 -0.011 0.000 0.208 22 L C 2.690 179.282 176.870 -0.463 0.000 1.085 22 L CA 0.949 55.410 54.840 -0.632 0.000 0.755 22 L CB -0.473 41.141 42.059 -0.741 0.000 0.904 22 L HN 0.206 nan 8.230 nan 0.000 0.435 23 A N 0.304 123.000 122.820 -0.205 0.000 1.883 23 A HA -0.290 4.024 4.320 -0.011 0.000 0.217 23 A C 2.206 179.721 177.584 -0.116 0.000 1.186 23 A CA 2.164 54.153 52.037 -0.081 0.000 0.624 23 A CB -0.520 18.463 19.000 -0.028 0.000 0.822 23 A HN 0.451 nan 8.150 nan 0.000 0.444 24 E N -0.421 119.694 120.200 -0.142 0.000 2.047 24 E HA -0.151 4.192 4.350 -0.011 0.000 0.191 24 E C 1.775 178.287 176.600 -0.148 0.000 0.987 24 E CA 1.323 57.649 56.400 -0.124 0.000 0.799 24 E CB -0.431 29.201 29.700 -0.112 0.000 0.752 24 E HN 0.371 nan 8.360 nan 0.000 0.449 25 L N -0.487 120.597 121.223 -0.231 0.000 2.083 25 L HA -0.073 4.260 4.340 -0.011 0.000 0.209 25 L C 1.584 178.395 176.870 -0.098 0.000 1.083 25 L CA 1.460 56.170 54.840 -0.217 0.000 0.752 25 L CB -0.349 41.500 42.059 -0.351 0.000 0.899 25 L HN 0.318 nan 8.230 nan 0.000 0.433 26 W N -0.131 120.984 121.300 -0.307 0.000 3.077 26 W HA 0.427 5.080 4.660 -0.011 0.000 0.266 26 W C 1.500 177.658 176.519 -0.601 0.000 1.300 26 W CA 0.332 57.342 57.345 -0.558 0.000 1.586 26 W CB -1.108 27.820 29.460 -0.885 0.000 1.103 26 W HN 0.320 nan 8.180 nan 0.000 0.652 27 G N 1.228 109.930 108.800 -0.165 0.000 2.298 27 G HA2 -0.039 3.915 3.960 -0.011 0.000 0.287 27 G HA3 -0.039 3.915 3.960 -0.011 0.000 0.287 27 G C 0.377 175.218 174.900 -0.098 0.000 1.075 27 G CA -0.043 44.984 45.100 -0.122 0.000 0.960 27 G HN 0.428 nan 8.290 nan 0.000 0.502 28 A N 0.127 122.912 122.820 -0.058 0.000 2.440 28 A HA 0.570 4.883 4.320 -0.011 0.000 0.251 28 A C 1.177 178.813 177.584 0.087 0.000 1.089 28 A CA 0.598 52.717 52.037 0.137 0.000 0.779 28 A CB 0.407 19.571 19.000 0.274 0.000 1.022 28 A HN 0.814 nan 8.150 nan 0.000 0.492 29 D N 0.439 120.898 120.400 0.097 0.000 2.398 29 D HA 0.430 5.063 4.640 -0.011 0.000 0.210 29 D C 0.134 176.453 176.300 0.031 0.000 1.094 29 D CA 0.680 54.709 54.000 0.049 0.000 0.839 29 D CB 0.212 41.034 40.800 0.037 0.000 0.963 29 D HN 0.610 nan 8.370 nan 0.000 0.506 30 A N 0.210 123.034 122.820 0.006 0.000 2.515 30 A HA 0.714 5.027 4.320 -0.011 0.000 0.298 30 A C -1.307 176.189 177.584 -0.147 0.000 1.059 30 A CA -0.786 51.176 52.037 -0.125 0.000 0.698 30 A CB 1.464 20.259 19.000 -0.342 0.000 1.289 30 A HN 0.141 nan 8.150 nan 0.000 0.404 31 I N 1.154 121.631 120.570 -0.154 0.000 2.499 31 I HA 0.427 4.591 4.170 -0.011 0.000 0.288 31 I C -0.149 175.920 176.117 -0.079 0.000 1.048 31 I CA -0.729 60.532 61.300 -0.064 0.000 1.062 31 I CB 2.180 40.196 38.000 0.027 0.000 1.238 31 I HN 0.803 nan 8.210 nan 0.000 0.426 32 R N 4.442 124.912 120.500 -0.050 0.000 2.202 32 R HA 0.177 4.510 4.340 -0.011 0.000 0.334 32 R C -0.205 176.150 176.300 0.091 0.000 1.036 32 R CA -0.257 55.869 56.100 0.044 0.000 0.878 32 R CB 0.386 30.713 30.300 0.045 0.000 1.067 32 R HN 0.530 nan 8.270 nan 0.000 0.457 33 N N 2.426 121.200 118.700 0.124 0.000 2.434 33 N HA -0.013 4.720 4.740 -0.011 0.000 0.273 33 N C -1.062 174.529 175.510 0.136 0.000 1.210 33 N CA 0.263 53.390 53.050 0.127 0.000 0.992 33 N CB 0.448 39.018 38.487 0.138 0.000 1.355 33 N HN 0.507 nan 8.380 nan 0.000 0.495 34 S N 2.725 118.497 115.700 0.119 0.000 2.498 34 S HA 0.090 4.553 4.470 -0.011 0.000 0.314 34 S C -0.314 174.366 174.600 0.134 0.000 1.141 34 S CA -0.372 57.896 58.200 0.115 0.000 1.087 34 S CB 0.041 63.287 63.200 0.076 0.000 1.178 34 S HN 0.674 nan 8.310 nan 0.000 0.533 40 D N 0.577 121.002 120.400 0.042 0.000 2.417 40 D HA 0.095 4.728 4.640 -0.011 0.000 0.250 40 D C 0.440 176.754 176.300 0.024 0.000 1.166 40 D CA 0.184 54.203 54.000 0.031 0.000 0.881 40 D CB 0.923 41.743 40.800 0.033 0.000 1.164 40 D HN 0.661 nan 8.370 nan 0.000 0.467 41 E N 1.151 121.360 120.200 0.014 0.000 2.505 41 E HA -0.000 4.343 4.350 -0.011 0.000 0.197 41 E C 1.291 177.895 176.600 0.006 0.000 1.111 41 E CA 0.071 56.477 56.400 0.009 0.000 0.887 41 E CB -0.109 29.593 29.700 0.003 0.000 0.913 41 E HN 0.501 nan 8.360 nan 0.000 0.517 42 A N 1.138 123.963 122.820 0.008 0.000 1.930 42 A HA -0.087 4.226 4.320 -0.011 0.000 0.217 42 A C 2.315 179.901 177.584 0.003 0.000 1.175 42 A CA 1.164 53.203 52.037 0.002 0.000 0.627 42 A CB -0.381 18.621 19.000 0.002 0.000 0.815 42 A HN 0.237 nan 8.150 nan 0.000 0.443 43 V N -0.650 119.273 119.914 0.016 0.000 2.599 43 V HA -0.100 4.014 4.120 -0.011 0.000 0.245 43 V C 2.364 178.469 176.094 0.019 0.000 1.046 43 V CA 1.369 63.681 62.300 0.021 0.000 1.065 43 V CB -0.520 31.328 31.823 0.042 0.000 0.703 43 V HN 0.539 nan 8.190 nan 0.000 0.464 44 L N 1.604 122.839 121.223 0.019 0.000 2.079 44 L HA -0.080 4.253 4.340 -0.011 0.000 0.210 44 L C 2.369 179.245 176.870 0.008 0.000 1.081 44 L CA 2.268 57.117 54.840 0.015 0.000 0.752 44 L CB -0.840 41.225 42.059 0.011 0.000 0.896 44 L HN 0.242 nan 8.230 nan 0.000 0.433 45 A N -0.953 121.869 122.820 0.003 0.000 2.234 45 A HA -0.130 4.183 4.320 -0.011 0.000 0.216 45 A C 2.146 179.728 177.584 -0.004 0.000 1.167 45 A CA 1.391 53.426 52.037 -0.002 0.000 0.698 45 A CB -0.925 18.072 19.000 -0.006 0.000 0.779 45 A HN 0.537 nan 8.150 nan 0.000 0.475 46 L N -1.311 119.912 121.223 -0.001 0.000 2.465 46 L HA 0.064 4.397 4.340 -0.011 0.000 0.224 46 L C 1.784 178.654 176.870 -0.000 0.000 1.145 46 L CA 0.638 55.475 54.840 -0.004 0.000 0.834 46 L CB -0.326 41.731 42.059 -0.002 0.000 0.944 46 L HN 0.571 nan 8.230 nan 0.000 0.451 47 G N 0.163 108.966 108.800 0.005 0.000 2.198 47 G HA2 -0.244 3.710 3.960 -0.011 0.000 0.260 47 G HA3 -0.244 3.710 3.960 -0.011 0.000 0.260 47 G C 0.155 175.064 174.900 0.015 0.000 1.025 47 G CA 0.005 45.110 45.100 0.008 0.000 0.769 47 G HN 0.168 nan 8.290 nan 0.000 0.507 48 K N -0.095 120.317 120.400 0.020 0.000 2.098 48 K HA 0.395 4.708 4.320 -0.011 0.000 0.257 48 K C 0.576 177.202 176.600 0.044 0.000 0.999 48 K CA -0.885 55.419 56.287 0.028 0.000 0.924 48 K CB 1.058 33.573 32.500 0.026 0.000 1.028 48 K HN 0.284 nan 8.250 nan 0.000 0.466 49 K N 2.085 122.520 120.400 0.059 0.000 2.412 49 K HA 0.071 4.384 4.320 -0.011 0.000 0.284 49 K C -0.323 176.357 176.600 0.133 0.000 1.046 49 K CA -0.211 56.143 56.287 0.112 0.000 0.999 49 K CB 0.287 32.880 32.500 0.154 0.000 0.941 49 K HN 0.314 nan 8.250 nan 0.000 0.474 50 I N 6.320 126.991 120.570 0.169 0.000 2.304 50 I HA 0.116 4.279 4.170 -0.011 0.000 0.291 50 I C -0.363 175.960 176.117 0.345 0.000 1.018 50 I CA -0.634 60.775 61.300 0.182 0.000 1.260 50 I CB 0.004 38.071 38.000 0.112 0.000 1.390 50 I HN 0.450 nan 8.210 nan 0.000 0.475 51 Y N 4.578 124.921 120.300 0.070 0.000 2.308 51 Y HA 0.375 4.918 4.550 -0.011 0.000 0.329 51 Y C 0.654 176.599 175.900 0.075 0.000 1.111 51 Y CA -1.085 57.055 58.100 0.067 0.000 1.179 51 Y CB 0.847 39.338 38.460 0.052 0.000 1.201 51 Y HN 0.478 nan 8.280 nan 0.000 0.483 52 N N 1.198 120.036 118.700 0.230 0.000 2.519 52 N HA 0.526 5.259 4.740 -0.011 0.000 0.286 52 N C -1.112 174.470 175.510 0.121 0.000 1.079 52 N CA -0.428 52.763 53.050 0.233 0.000 0.878 52 N CB 1.277 39.960 38.487 0.327 0.000 1.375 52 N HN 0.714 nan 8.380 nan 0.000 0.514 53 A N 2.607 125.422 122.820 -0.009 0.000 2.511 53 A HA 0.262 4.575 4.320 -0.011 0.000 0.242 53 A C -0.943 176.271 177.584 -0.616 0.000 1.069 53 A CA 0.386 52.206 52.037 -0.361 0.000 0.763 53 A CB -0.108 18.656 19.000 -0.394 0.000 1.001 53 A HN 0.660 nan 8.150 nan 0.000 0.498 54 Y N 1.207 120.878 120.300 -1.048 0.000 2.376 54 Y HA 0.579 5.122 4.550 -0.011 0.000 0.340 54 Y C -1.202 174.095 175.900 -1.004 0.000 0.965 54 Y CA -1.112 56.355 58.100 -1.055 0.000 1.078 54 Y CB 1.641 39.480 38.460 -1.034 0.000 1.193 54 Y HN 0.540 nan 8.280 nan 0.000 0.452 55 F N 7.606 127.092 119.950 -0.773 0.000 2.366 55 F HA 0.397 4.918 4.527 -0.011 0.000 0.357 55 F C -1.919 173.625 175.800 -0.427 0.000 1.107 55 F CA -2.196 55.540 58.000 -0.439 0.000 1.208 55 F CB 0.838 39.652 39.000 -0.310 0.000 1.464 55 F HN 0.430 nan 8.300 nan 0.000 0.501 56 P HA -0.149 nan 4.420 nan 0.000 0.216 56 P C 1.150 178.509 177.300 0.099 0.000 1.153 56 P CA 1.680 64.819 63.100 0.064 0.000 0.858 56 P CB 0.105 31.868 31.700 0.104 0.000 0.789 57 T N -3.832 110.668 114.554 -0.091 0.000 3.331 57 T HA 0.408 4.751 4.350 -0.011 0.000 0.282 57 T C 0.253 174.317 174.700 -1.061 0.000 1.010 57 T CA -0.707 61.068 62.100 -0.541 0.000 0.928 57 T CB -0.291 68.406 68.868 -0.284 0.000 1.154 57 T HN 0.200 nan 8.240 nan 0.000 0.516 58 R N -1.237 118.979 120.500 -0.473 0.000 2.870 58 R HA 0.754 5.088 4.340 -0.011 0.000 0.262 58 R C -0.171 176.236 176.300 0.178 0.000 1.112 58 R CA -0.748 55.228 56.100 -0.206 0.000 0.976 58 R CB 0.145 30.375 30.300 -0.117 0.000 1.261 58 R HN 0.469 nan 8.270 nan 0.000 0.453 59 A N -0.111 122.798 122.820 0.148 0.000 2.905 59 A HA -0.156 4.157 4.320 -0.011 0.000 0.260 59 A C -0.579 176.952 177.584 -0.088 0.000 1.398 59 A CA 1.314 53.360 52.037 0.016 0.000 0.840 59 A CB -2.396 16.526 19.000 -0.129 0.000 1.059 59 A HN 0.717 nan 8.150 nan 0.000 0.647 60 H N -0.703 118.644 119.070 0.462 0.000 2.511 60 H HA 0.197 4.746 4.556 -0.011 0.000 0.228 60 H C 0.868 176.357 175.328 0.269 0.000 1.424 60 H CA -0.257 56.025 56.048 0.388 0.000 1.321 60 H CB 0.166 30.223 29.762 0.492 0.000 1.720 60 H HN 0.438 nan 8.280 nan 0.000 0.512 61 N N 1.056 119.910 118.700 0.256 0.000 2.166 61 N HA -0.164 4.569 4.740 -0.011 0.000 0.186 61 N C 2.127 177.684 175.510 0.079 0.000 1.019 61 N CA 0.965 54.108 53.050 0.154 0.000 0.856 61 N CB 0.239 38.778 38.487 0.086 0.000 0.993 61 N HN 0.626 nan 8.380 nan 0.000 0.426 62 E N 0.367 120.632 120.200 0.109 0.000 2.160 62 E HA -0.228 4.115 4.350 -0.011 0.000 0.195 62 E C 1.746 178.355 176.600 0.016 0.000 0.991 62 E CA 0.820 57.261 56.400 0.069 0.000 0.810 62 E CB -0.779 28.997 29.700 0.126 0.000 0.742 62 E HN 0.633 nan 8.360 nan 0.000 0.466 63 W N 1.095 122.252 121.300 -0.238 0.000 2.452 63 W HA -0.068 4.585 4.660 -0.011 0.000 0.313 63 W C 2.002 178.359 176.519 -0.269 0.000 1.176 63 W CA 0.817 57.858 57.345 -0.507 0.000 1.350 63 W CB -0.369 28.223 29.460 -1.445 0.000 1.148 63 W HN 0.094 nan 8.180 nan 0.000 0.498 64 I N 2.528 122.918 120.570 -0.300 0.000 2.493 64 I HA -0.228 3.935 4.170 -0.011 0.000 0.254 64 I C 2.554 178.518 176.117 -0.255 0.000 1.160 64 I CA 2.387 63.528 61.300 -0.265 0.000 1.445 64 I CB -0.791 37.316 38.000 0.180 0.000 1.086 64 I HN 0.073 nan 8.210 nan 0.000 0.433 65 T N -1.551 112.878 114.554 -0.209 0.000 2.929 65 T HA -0.154 4.190 4.350 -0.011 0.000 0.271 65 T C 1.692 176.192 174.700 -0.334 0.000 1.085 65 T CA 1.403 63.373 62.100 -0.216 0.000 1.125 65 T CB -0.739 68.037 68.868 -0.152 0.000 0.874 65 T HN 0.416 nan 8.240 nan 0.000 0.494 66 L N 0.156 121.073 121.223 -0.510 0.000 2.592 66 L HA 0.250 4.583 4.340 -0.011 0.000 0.227 66 L C 0.838 176.998 176.870 -1.185 0.000 1.127 66 L CA 0.310 54.682 54.840 -0.780 0.000 0.884 66 L CB -0.252 41.293 42.059 -0.857 0.000 1.065 66 L HN 0.433 nan 8.230 nan 0.000 0.457 67 H N -0.782 117.954 119.070 -0.556 0.000 2.712 67 H HA 0.229 4.778 4.556 -0.011 0.000 0.226 67 H C 0.833 175.956 175.328 -0.342 0.000 1.422 67 H CA -0.336 55.440 56.048 -0.455 0.000 1.270 67 H CB 0.697 30.116 29.762 -0.571 0.000 1.891 67 H HN 0.095 nan 8.280 nan 0.000 0.518 68 M N 1.060 120.500 119.600 -0.266 0.000 2.539 68 M HA -0.089 4.384 4.480 -0.011 0.000 0.261 68 M C 1.127 177.169 176.300 -0.429 0.000 1.069 68 M CA 1.031 56.151 55.300 -0.300 0.000 1.081 68 M CB -0.569 31.837 32.600 -0.323 0.000 1.412 68 M HN 0.402 nan 8.290 nan 0.000 0.482 69 D N -0.350 119.856 120.400 -0.323 0.000 2.336 69 D HA -0.080 4.553 4.640 -0.011 0.000 0.229 69 D C 0.665 176.864 176.300 -0.168 0.000 1.061 69 D CA 0.397 54.255 54.000 -0.236 0.000 0.875 69 D CB -0.406 40.347 40.800 -0.077 0.000 0.904 69 D HN 0.415 nan 8.370 nan 0.000 0.525 70 E N 0.262 120.370 120.200 -0.153 0.000 2.548 70 E HA 0.042 4.385 4.350 -0.011 0.000 0.206 70 E C 0.265 177.000 176.600 0.225 0.000 1.005 70 E CA -0.088 56.255 56.400 -0.096 0.000 0.951 70 E CB 0.554 30.262 29.700 0.013 0.000 1.035 70 E HN 0.329 nan 8.360 nan 0.000 0.470 71 T N 0.325 114.986 114.554 0.179 0.000 2.898 71 T HA 0.218 4.561 4.350 -0.011 0.000 0.301 71 T C -2.431 172.456 174.700 0.312 0.000 1.049 71 T CA -1.790 60.461 62.100 0.251 0.000 1.095 71 T CB 0.866 69.832 68.868 0.163 0.000 0.976 71 T HN -0.236 nan 8.240 nan 0.000 0.539 72 P HA 0.198 nan 4.420 nan 0.000 0.269 72 P C -0.530 176.877 177.300 0.179 0.000 1.217 72 P CA -0.191 63.066 63.100 0.262 0.000 0.783 72 P CB 0.335 32.175 31.700 0.233 0.000 0.898 73 Q N -0.551 119.294 119.800 0.076 0.000 2.544 73 Q HA 0.786 5.119 4.340 -0.011 0.000 0.291 73 Q C -1.498 174.373 176.000 -0.216 0.000 1.068 73 Q CA -1.103 54.641 55.803 -0.099 0.000 0.785 73 Q CB 2.779 31.389 28.738 -0.214 0.000 1.481 73 Q HN 0.244 nan 8.270 nan 0.000 0.430 74 V N 0.341 120.044 119.914 -0.351 0.000 3.048 74 V HA 0.428 4.541 4.120 -0.011 0.000 0.303 74 V C -2.025 173.754 176.094 -0.526 0.000 1.214 74 V CA -0.531 61.548 62.300 -0.369 0.000 0.984 74 V CB 1.757 33.447 31.823 -0.221 0.000 1.054 74 V HN 0.752 nan 8.190 nan 0.000 0.430 75 Y N 5.597 125.655 120.300 -0.404 0.000 2.377 75 Y HA 0.531 5.075 4.550 -0.011 0.000 0.330 75 Y C 0.426 176.114 175.900 -0.352 0.000 1.108 75 Y CA 0.057 57.903 58.100 -0.424 0.000 1.308 75 Y CB 1.129 39.394 38.460 -0.325 0.000 1.216 75 Y HN 0.460 nan 8.280 nan 0.000 0.518 76 L N 5.035 125.947 121.223 -0.518 0.000 2.334 76 L HA 0.416 4.749 4.340 -0.011 0.000 0.276 76 L C -1.038 175.662 176.870 -0.284 0.000 1.014 76 L CA -1.167 53.333 54.840 -0.568 0.000 0.815 76 L CB 1.735 42.883 42.059 -1.520 0.000 1.268 76 L HN 0.431 nan 8.230 nan 0.000 0.428 77 L N 2.813 124.132 121.223 0.161 0.000 2.296 77 L HA 0.420 4.754 4.340 -0.011 0.000 0.286 77 L C 0.573 177.679 176.870 0.394 0.000 1.023 77 L CA 0.023 54.968 54.840 0.175 0.000 0.812 77 L CB 1.625 43.692 42.059 0.012 0.000 1.223 77 L HN 0.734 nan 8.230 nan 0.000 0.421 78 T N 0.782 115.542 114.554 0.343 0.000 2.748 78 T HA 0.196 4.539 4.350 -0.011 0.000 0.304 78 T C 0.265 175.047 174.700 0.136 0.000 1.041 78 T CA -0.697 61.585 62.100 0.303 0.000 1.033 78 T CB 0.265 69.250 68.868 0.195 0.000 0.995 78 T HN 0.568 nan 8.240 nan 0.000 0.536 79 D N 0.594 121.029 120.400 0.059 0.000 2.364 79 D HA 0.116 4.750 4.640 -0.011 0.000 0.236 79 D C 0.448 176.773 176.300 0.042 0.000 1.221 79 D CA 0.137 54.152 54.000 0.024 0.000 0.891 79 D CB 0.359 41.158 40.800 -0.002 0.000 1.190 79 D HN 0.471 nan 8.370 nan 0.000 0.449 80 R N 0.959 121.479 120.500 0.033 0.000 2.248 80 R HA 0.253 4.586 4.340 -0.011 0.000 0.328 80 R C -0.274 176.061 176.300 0.058 0.000 1.067 80 R CA -0.416 55.708 56.100 0.040 0.000 0.924 80 R CB 0.567 30.880 30.300 0.021 0.000 1.013 80 R HN 0.247 nan 8.270 nan 0.000 0.454 81 I N 4.629 125.252 120.570 0.089 0.000 2.336 81 I HA 0.142 4.305 4.170 -0.011 0.000 0.292 81 I C -0.034 176.172 176.117 0.148 0.000 0.991 81 I CA -1.171 60.189 61.300 0.100 0.000 1.227 81 I CB 1.179 39.230 38.000 0.084 0.000 1.366 81 I HN 0.436 nan 8.210 nan 0.000 0.466 82 L N 6.554 127.852 121.223 0.125 0.000 2.369 82 L HA 0.442 4.776 4.340 -0.011 0.000 0.279 82 L C 0.570 177.505 176.870 0.108 0.000 1.108 82 L CA 0.081 55.012 54.840 0.151 0.000 0.852 82 L CB 0.571 42.728 42.059 0.163 0.000 1.169 82 L HN 0.730 nan 8.230 nan 0.000 0.452 83 A N 4.692 127.600 122.820 0.146 0.000 2.450 83 A HA 0.304 4.617 4.320 -0.011 0.000 0.255 83 A C 0.681 178.065 177.584 -0.333 0.000 1.096 83 A CA -0.182 51.833 52.037 -0.036 0.000 0.778 83 A CB 0.039 19.048 19.000 0.016 0.000 1.031 83 A HN 0.893 nan 8.150 nan 0.000 0.494 84 E N 1.060 120.997 120.200 -0.439 0.000 2.526 84 E HA 0.108 4.451 4.350 -0.011 0.000 0.208 84 E C 0.350 176.550 176.600 -0.667 0.000 0.997 84 E CA 0.625 56.523 56.400 -0.837 0.000 0.961 84 E CB 0.321 29.779 29.700 -0.404 0.000 1.030 84 E HN 0.813 nan 8.360 nan 0.000 0.483 85 S N 0.068 115.513 115.700 -0.426 0.000 3.287 85 S HA 0.062 4.526 4.470 -0.011 0.000 0.324 85 S C 0.117 174.576 174.600 -0.234 0.000 1.205 85 S CA -0.525 57.506 58.200 -0.283 0.000 1.020 85 S CB 0.496 63.597 63.200 -0.164 0.000 1.398 85 S HN 0.048 nan 8.310 nan 0.000 0.679 86 D N 1.187 121.491 120.400 -0.159 0.000 2.340 86 D HA 0.115 4.749 4.640 -0.011 0.000 0.220 86 D C 0.688 176.903 176.300 -0.141 0.000 1.039 86 D CA 0.683 54.600 54.000 -0.139 0.000 0.866 86 D CB -0.302 40.443 40.800 -0.092 0.000 0.913 86 D HN 0.692 nan 8.370 nan 0.000 0.523 87 T N -2.774 111.697 114.554 -0.139 0.000 2.916 87 T HA 0.626 4.970 4.350 -0.011 0.000 0.292 87 T C -0.656 173.966 174.700 -0.131 0.000 1.055 87 T CA -0.970 61.059 62.100 -0.118 0.000 1.009 87 T CB 2.531 71.360 68.868 -0.065 0.000 1.118 87 T HN -0.037 nan 8.240 nan 0.000 0.497 88 V N 0.805 120.656 119.914 -0.106 0.000 2.950 88 V HA 0.440 4.553 4.120 -0.011 0.000 0.295 88 V C -2.050 174.036 176.094 -0.014 0.000 1.297 88 V CA -0.742 61.511 62.300 -0.078 0.000 0.962 88 V CB 2.260 34.004 31.823 -0.132 0.000 1.081 88 V HN 1.098 nan 8.190 nan 0.000 0.432 89 D N 5.383 125.798 120.400 0.026 0.000 2.168 89 D HA 0.623 5.257 4.640 -0.011 0.000 0.246 89 D C -0.538 175.757 176.300 -0.007 0.000 1.050 89 D CA 0.163 54.185 54.000 0.037 0.000 0.857 89 D CB 2.219 43.074 40.800 0.091 0.000 1.169 89 D HN 0.516 nan 8.370 nan 0.000 0.453 90 I N 3.156 123.696 120.570 -0.051 0.000 2.448 90 I HA 0.209 4.372 4.170 -0.011 0.000 0.281 90 I C -2.439 173.630 176.117 -0.081 0.000 1.027 90 I CA -2.122 59.150 61.300 -0.045 0.000 1.111 90 I CB 2.132 40.107 38.000 -0.043 0.000 1.236 90 I HN -0.066 nan 8.210 nan 0.000 0.452 91 P HA 0.141 nan 4.420 nan 0.000 0.267 91 P C 0.599 177.860 177.300 -0.064 0.000 1.205 91 P CA -0.049 63.020 63.100 -0.052 0.000 0.765 91 P CB 0.890 32.586 31.700 -0.007 0.000 0.828 92 L N 1.888 123.018 121.223 -0.156 0.000 2.162 92 L HA 0.022 4.356 4.340 -0.011 0.000 0.205 92 L C 1.775 178.699 176.870 0.089 0.000 1.086 92 L CA 1.330 55.973 54.840 -0.329 0.000 0.778 92 L CB -0.374 41.131 42.059 -0.923 0.000 0.928 92 L HN 0.386 nan 8.230 nan 0.000 0.446 93 M N -1.143 118.531 119.600 0.124 0.000 2.337 93 M HA 0.059 4.533 4.480 -0.011 0.000 0.256 93 M C 1.703 178.153 176.300 0.249 0.000 1.075 93 M CA 0.487 55.972 55.300 0.309 0.000 1.024 93 M CB 0.061 32.781 32.600 0.200 0.000 1.429 93 M HN 0.166 nan 8.290 nan 0.000 0.497 94 E N 0.655 120.932 120.200 0.129 0.000 2.171 94 E HA -0.166 4.177 4.350 -0.011 0.000 0.197 94 E C 1.574 178.183 176.600 0.016 0.000 0.997 94 E CA 1.763 58.204 56.400 0.068 0.000 0.810 94 E CB 0.071 29.791 29.700 0.032 0.000 0.738 94 E HN 0.469 nan 8.360 nan 0.000 0.467 95 S N -0.627 115.014 115.700 -0.099 0.000 2.556 95 S HA 0.119 4.583 4.470 -0.011 0.000 0.216 95 S C 0.159 174.489 174.600 -0.450 0.000 0.970 95 S CA -0.467 57.539 58.200 -0.323 0.000 0.912 95 S CB 0.113 63.012 63.200 -0.501 0.000 0.790 95 S HN -0.044 nan 8.310 nan 0.000 0.504 96 F N 0.873 120.920 119.950 0.161 0.000 2.556 96 F HA 0.565 5.085 4.527 -0.011 0.000 0.327 96 F C -0.179 175.797 175.800 0.293 0.000 1.059 96 F CA -2.048 56.074 58.000 0.203 0.000 0.953 96 F CB 0.693 39.807 39.000 0.191 0.000 1.227 96 F HN 0.019 nan 8.300 nan 0.000 0.478 97 F N 2.240 122.402 119.950 0.352 0.000 2.487 97 F HA 0.386 4.906 4.527 -0.011 0.000 0.364 97 F C 1.033 176.980 175.800 0.244 0.000 1.126 97 F CA -1.302 56.861 58.000 0.270 0.000 1.135 97 F CB 0.382 39.551 39.000 0.283 0.000 1.127 97 F HN 0.572 nan 8.300 nan 0.000 0.559 98 A N 4.632 127.573 122.820 0.202 0.000 2.015 98 A HA -0.136 4.178 4.320 -0.011 0.000 0.219 98 A C 1.884 179.359 177.584 -0.182 0.000 1.163 98 A CA 1.398 53.456 52.037 0.035 0.000 0.646 98 A CB -0.552 18.506 19.000 0.096 0.000 0.806 98 A HN 0.804 nan 8.150 nan 0.000 0.448 99 E N -0.984 118.864 120.200 -0.587 0.000 2.482 99 E HA -0.110 4.233 4.350 -0.011 0.000 0.196 99 E C 1.864 178.313 176.600 -0.252 0.000 1.047 99 E CA 0.696 56.791 56.400 -0.509 0.000 0.869 99 E CB 0.063 29.404 29.700 -0.599 0.000 0.836 99 E HN 0.813 nan 8.360 nan 0.000 0.520 100 Q N 0.040 119.679 119.800 -0.268 0.000 2.423 100 Q HA 0.141 4.475 4.340 -0.011 0.000 0.231 100 Q C -0.092 175.937 176.000 0.048 0.000 0.894 100 Q CA 0.249 56.064 55.803 0.021 0.000 0.938 100 Q CB 0.764 29.552 28.738 0.083 0.000 1.079 100 Q HN 0.120 nan 8.270 nan 0.000 0.552 101 L N 1.248 122.490 121.223 0.031 0.000 2.431 101 L HA 0.547 4.880 4.340 -0.011 0.000 0.266 101 L C -1.038 175.871 176.870 0.065 0.000 0.978 101 L CA -0.674 54.186 54.840 0.032 0.000 0.822 101 L CB 2.350 44.400 42.059 -0.015 0.000 1.310 101 L HN -0.157 nan 8.230 nan 0.000 0.409 102 K N 3.610 124.066 120.400 0.094 0.000 2.507 102 K HA 0.531 4.844 4.320 -0.011 0.000 0.251 102 K C -2.753 173.953 176.600 0.176 0.000 0.943 102 K CA -1.708 54.667 56.287 0.147 0.000 0.794 102 K CB 2.565 35.167 32.500 0.170 0.000 1.188 102 K HN 0.103 nan 8.250 nan 0.000 0.428 103 P HA -0.072 nan 4.420 nan 0.000 0.264 103 P C -1.096 176.327 177.300 0.204 0.000 1.183 103 P CA -0.046 63.198 63.100 0.241 0.000 0.763 103 P CB 0.380 32.176 31.700 0.160 0.000 0.807 104 N N 3.173 121.922 118.700 0.082 0.000 2.402 104 N HA 0.056 4.789 4.740 -0.011 0.000 0.252 104 N C 0.500 176.156 175.510 0.244 0.000 1.118 104 N CA 0.060 53.051 53.050 -0.097 0.000 0.945 104 N CB 0.051 38.186 38.487 -0.586 0.000 1.147 104 N HN 0.215 nan 8.380 nan 0.000 0.495 105 R N 1.945 122.583 120.500 0.230 0.000 2.334 105 R HA 0.125 4.458 4.340 -0.011 0.000 0.216 105 R C 0.126 176.477 176.300 0.085 0.000 0.905 105 R CA -0.043 56.142 56.100 0.142 0.000 1.064 105 R CB 0.634 31.006 30.300 0.120 0.000 1.046 105 R HN 0.521 nan 8.270 nan 0.000 0.508 106 D N 1.563 122.040 120.400 0.128 0.000 2.162 106 D HA -0.011 4.622 4.640 -0.011 0.000 0.205 106 D C 0.562 176.893 176.300 0.052 0.000 0.964 106 D CA 0.697 54.755 54.000 0.097 0.000 0.847 106 D CB 0.186 41.077 40.800 0.153 0.000 0.988 106 D HN 0.120 nan 8.370 nan 0.000 0.480 107 A N 1.547 124.380 122.820 0.020 0.000 2.309 107 A HA 0.113 4.427 4.320 -0.011 0.000 0.290 107 A C -0.208 177.420 177.584 0.073 0.000 1.206 107 A CA -0.445 51.590 52.037 -0.005 0.000 0.850 107 A CB 0.493 19.323 19.000 -0.284 0.000 1.118 107 A HN -0.109 nan 8.150 nan 0.000 0.523 108 D N 3.889 124.387 120.400 0.164 0.000 2.854 108 D HA -0.027 4.606 4.640 -0.011 0.000 0.243 108 D C -1.474 174.785 176.300 -0.070 0.000 1.243 108 D CA -0.715 53.317 54.000 0.053 0.000 0.883 108 D CB 0.624 41.474 40.800 0.082 0.000 1.145 108 D HN 0.206 nan 8.370 nan 0.000 0.555 109 P HA -0.126 nan 4.420 nan 0.000 0.218 109 P C 0.683 177.757 177.300 -0.376 0.000 1.148 109 P CA 1.234 63.690 63.100 -1.073 0.000 0.822 109 P CB 0.058 30.912 31.700 -1.411 0.000 0.784 110 H N -1.374 117.566 119.070 -0.217 0.000 2.491 110 H HA -0.037 4.512 4.556 -0.011 0.000 0.290 110 H C 2.056 177.355 175.328 -0.048 0.000 1.050 110 H CA 1.136 57.080 56.048 -0.173 0.000 1.309 110 H CB 0.023 29.572 29.762 -0.355 0.000 1.392 110 H HN 0.108 nan 8.280 nan 0.000 0.554 111 K N -0.198 120.197 120.400 -0.008 0.000 2.128 111 K HA -0.064 4.249 4.320 -0.011 0.000 0.202 111 K C 0.734 177.224 176.600 -0.183 0.000 1.050 111 K CA 0.856 57.030 56.287 -0.188 0.000 0.966 111 K CB 0.275 32.504 32.500 -0.452 0.000 0.759 111 K HN 0.234 nan 8.250 nan 0.000 0.454 112 Y N -1.139 119.283 120.300 0.203 0.000 2.497 112 Y HA 0.137 4.681 4.550 -0.011 0.000 0.265 112 Y C 0.252 176.551 175.900 0.666 0.000 1.111 112 Y CA -0.412 57.911 58.100 0.371 0.000 1.288 112 Y CB 0.372 39.026 38.460 0.324 0.000 1.082 112 Y HN 0.039 nan 8.280 nan 0.000 0.536 113 W N 0.534 122.060 121.300 0.378 0.000 2.594 113 W HA 0.617 5.270 4.660 -0.011 0.000 0.365 113 W C -0.380 176.272 176.519 0.223 0.000 1.196 113 W CA -1.888 55.639 57.345 0.304 0.000 1.258 113 W CB 0.390 30.007 29.460 0.261 0.000 1.405 113 W HN -0.319 nan 8.180 nan 0.000 0.640 114 E N 0.212 120.590 120.200 0.296 0.000 2.304 114 E HA 0.452 4.795 4.350 -0.011 0.000 0.277 114 E C -1.852 174.713 176.600 -0.059 0.000 0.898 114 E CA -0.450 56.038 56.400 0.147 0.000 0.764 114 E CB 2.443 32.178 29.700 0.059 0.000 1.216 114 E HN 0.115 nan 8.360 nan 0.000 0.419 115 V N 3.991 123.824 119.914 -0.135 0.000 2.435 115 V HA 0.438 4.551 4.120 -0.011 0.000 0.290 115 V C -0.398 175.706 176.094 0.017 0.000 1.030 115 V CA -0.622 61.557 62.300 -0.201 0.000 0.881 115 V CB 1.594 33.145 31.823 -0.454 0.000 0.983 115 V HN 0.451 nan 8.190 nan 0.000 0.445 116 V N 3.465 123.405 119.914 0.044 0.000 2.540 116 V HA 0.358 4.472 4.120 -0.011 0.000 0.302 116 V C -0.329 175.811 176.094 0.078 0.000 1.035 116 V CA -0.709 61.627 62.300 0.059 0.000 0.873 116 V CB 2.095 33.916 31.823 -0.003 0.000 0.992 116 V HN 0.899 nan 8.190 nan 0.000 0.428 117 D N 4.447 124.883 120.400 0.060 0.000 2.359 117 D HA 0.124 4.758 4.640 -0.011 0.000 0.250 117 D C 1.233 177.417 176.300 -0.193 0.000 1.264 117 D CA -0.187 53.687 54.000 -0.210 0.000 0.911 117 D CB 0.795 41.587 40.800 -0.014 0.000 1.056 117 D HN 0.297 nan 8.370 nan 0.000 0.499 118 R N 2.245 122.600 120.500 -0.242 0.000 2.189 118 R HA -0.042 4.291 4.340 -0.011 0.000 0.223 118 R C 1.596 177.796 176.300 -0.165 0.000 1.092 118 R CA 0.688 56.696 56.100 -0.153 0.000 0.989 118 R CB -0.541 29.689 30.300 -0.117 0.000 0.876 118 R HN 0.437 nan 8.270 nan 0.000 0.457 119 T N 0.102 114.507 114.554 -0.249 0.000 2.904 119 T HA -0.077 4.267 4.350 -0.011 0.000 0.267 119 T C 1.729 176.283 174.700 -0.243 0.000 1.059 119 T CA 1.861 63.786 62.100 -0.292 0.000 1.137 119 T CB -0.007 68.548 68.868 -0.522 0.000 0.879 119 T HN 0.483 nan 8.240 nan 0.000 0.467 120 T N -2.215 112.236 114.554 -0.171 0.000 2.971 120 T HA 0.452 4.796 4.350 -0.011 0.000 0.252 120 T C 1.846 176.520 174.700 -0.042 0.000 1.022 120 T CA 0.777 62.831 62.100 -0.076 0.000 0.980 120 T CB 0.246 69.121 68.868 0.011 0.000 1.044 120 T HN 0.434 nan 8.240 nan 0.000 0.501 121 G N 1.549 110.319 108.800 -0.051 0.000 2.179 121 G HA2 -0.213 3.741 3.960 -0.011 0.000 0.260 121 G HA3 -0.213 3.741 3.960 -0.011 0.000 0.260 121 G C -0.172 174.725 174.900 -0.004 0.000 0.977 121 G CA 0.053 45.133 45.100 -0.034 0.000 0.641 121 G HN 0.586 nan 8.290 nan 0.000 0.533 122 E N 0.325 120.538 120.200 0.021 0.000 2.354 122 E HA 0.438 4.781 4.350 -0.011 0.000 0.269 122 E C 0.862 177.506 176.600 0.074 0.000 1.036 122 E CA -0.518 55.913 56.400 0.052 0.000 0.876 122 E CB 1.542 31.288 29.700 0.078 0.000 1.009 122 E HN 0.215 nan 8.360 nan 0.000 0.416 123 V N 2.879 122.840 119.914 0.078 0.000 2.585 123 V HA -0.015 4.098 4.120 -0.011 0.000 0.296 123 V C 0.575 176.762 176.094 0.156 0.000 1.035 123 V CA -0.365 62.000 62.300 0.109 0.000 1.084 123 V CB 0.872 32.757 31.823 0.103 0.000 0.953 123 V HN 0.350 nan 8.190 nan 0.000 0.483 124 V N 4.644 124.678 119.914 0.201 0.000 2.521 124 V HA 0.055 4.168 4.120 -0.011 0.000 0.286 124 V C 0.690 176.966 176.094 0.304 0.000 1.034 124 V CA -0.233 62.217 62.300 0.250 0.000 1.045 124 V CB 0.978 32.964 31.823 0.271 0.000 0.974 124 V HN 0.935 nan 8.190 nan 0.000 0.480 125 D N 3.981 124.514 120.400 0.221 0.000 2.583 125 D HA -0.069 4.564 4.640 -0.011 0.000 0.232 125 D C 1.472 177.897 176.300 0.209 0.000 1.128 125 D CA 0.714 54.817 54.000 0.171 0.000 0.859 125 D CB 1.144 41.998 40.800 0.090 0.000 1.169 125 D HN 0.725 nan 8.370 nan 0.000 0.481 126 S N 2.907 118.692 115.700 0.142 0.000 2.465 126 S HA -0.184 4.279 4.470 -0.011 0.000 0.241 126 S C 1.849 176.198 174.600 -0.420 0.000 1.000 126 S CA 0.761 58.896 58.200 -0.108 0.000 0.964 126 S CB -0.126 63.062 63.200 -0.021 0.000 0.763 126 S HN 0.540 nan 8.310 nan 0.000 0.512 127 A N 2.218 124.906 122.820 -0.220 0.000 2.066 127 A HA 0.055 4.369 4.320 -0.011 0.000 0.218 127 A C 1.810 179.330 177.584 -0.107 0.000 1.157 127 A CA 0.936 52.845 52.037 -0.214 0.000 0.670 127 A CB -0.655 18.268 19.000 -0.130 0.000 0.804 127 A HN 0.689 nan 8.150 nan 0.000 0.453 128 N N -0.424 118.281 118.700 0.009 0.000 2.314 128 N HA 0.112 4.846 4.740 -0.011 0.000 0.200 128 N C -0.393 175.261 175.510 0.240 0.000 1.135 128 N CA -0.148 52.963 53.050 0.102 0.000 0.835 128 N CB 0.201 38.762 38.487 0.123 0.000 0.989 128 N HN 0.828 nan 8.380 nan 0.000 0.478 129 W N 0.324 121.692 121.300 0.113 0.000 3.167 129 W HA 0.453 5.107 4.660 -0.011 0.000 0.324 129 W C -1.332 175.327 176.519 0.234 0.000 1.230 129 W CA -0.852 56.581 57.345 0.146 0.000 1.184 129 W CB 0.516 30.052 29.460 0.127 0.000 1.414 129 W HN -0.244 nan 8.180 nan 0.000 0.551 130 T N 0.157 115.006 114.554 0.491 0.000 2.900 130 T HA 0.541 4.885 4.350 -0.011 0.000 0.303 130 T C -1.625 173.305 174.700 0.384 0.000 1.142 130 T CA -0.811 61.483 62.100 0.322 0.000 1.007 130 T CB 2.284 71.281 68.868 0.215 0.000 1.156 130 T HN 0.630 nan 8.240 nan 0.000 0.490 131 L N 2.367 123.736 121.223 0.244 0.000 2.265 131 L HA 0.429 4.762 4.340 -0.011 0.000 0.288 131 L C 0.246 177.190 176.870 0.123 0.000 1.058 131 L CA -0.152 54.791 54.840 0.171 0.000 0.809 131 L CB 0.559 42.675 42.059 0.095 0.000 1.179 131 L HN 0.851 nan 8.230 nan 0.000 0.429 132 D N 3.663 124.109 120.400 0.076 0.000 2.525 132 D HA -0.051 4.582 4.640 -0.011 0.000 0.235 132 D C 0.805 177.158 176.300 0.088 0.000 1.137 132 D CA 0.722 54.798 54.000 0.128 0.000 0.868 132 D CB 1.626 42.478 40.800 0.088 0.000 1.180 132 D HN 0.848 nan 8.370 nan 0.000 0.465 133 A N 4.065 126.938 122.820 0.089 0.000 2.015 133 A HA -0.136 4.177 4.320 -0.011 0.000 0.219 133 A C 1.375 178.988 177.584 0.050 0.000 1.163 133 A CA 1.116 53.187 52.037 0.057 0.000 0.646 133 A CB 0.214 19.241 19.000 0.046 0.000 0.806 133 A HN 0.618 nan 8.150 nan 0.000 0.448 134 D N -0.878 119.555 120.400 0.055 0.000 2.449 134 D HA 0.100 4.733 4.640 -0.011 0.000 0.210 134 D C 0.350 176.675 176.300 0.042 0.000 1.094 134 D CA 0.442 54.468 54.000 0.044 0.000 0.846 134 D CB 0.379 41.204 40.800 0.041 0.000 1.003 134 D HN 0.852 nan 8.370 nan 0.000 0.504 135 E N 0.179 120.405 120.200 0.044 0.000 2.429 135 E HA 0.319 4.662 4.350 -0.011 0.000 0.276 135 E C -1.303 175.304 176.600 0.011 0.000 0.953 135 E CA -0.790 55.628 56.400 0.029 0.000 0.787 135 E CB 1.398 31.116 29.700 0.030 0.000 1.307 135 E HN -0.377 nan 8.360 nan 0.000 0.458 136 D N 1.766 122.164 120.400 -0.004 0.000 2.551 136 D HA 0.224 4.857 4.640 -0.011 0.000 0.223 136 D C -0.952 175.291 176.300 -0.094 0.000 1.144 136 D CA 0.211 54.186 54.000 -0.041 0.000 1.025 136 D CB 0.446 41.219 40.800 -0.046 0.000 1.085 136 D HN 0.282 nan 8.370 nan 0.000 0.506 137 T N 0.094 114.582 114.554 -0.110 0.000 2.991 137 T HA 0.266 4.609 4.350 -0.011 0.000 0.303 137 T C -0.070 174.473 174.700 -0.261 0.000 1.015 137 T CA -0.538 61.450 62.100 -0.186 0.000 1.007 137 T CB 2.227 70.980 68.868 -0.191 0.000 1.034 137 T HN -0.153 nan 8.240 nan 0.000 0.446 138 V N 4.668 124.454 119.914 -0.214 0.000 2.465 138 V HA 0.325 4.439 4.120 -0.011 0.000 0.279 138 V C -0.149 175.826 176.094 -0.199 0.000 1.045 138 V CA -0.706 61.511 62.300 -0.138 0.000 0.938 138 V CB 0.761 32.536 31.823 -0.080 0.000 0.986 138 V HN 0.802 nan 8.190 nan 0.000 0.467 139 H N 3.760 122.909 119.070 0.132 0.000 2.519 139 H HA 0.512 5.062 4.556 -0.011 0.000 0.316 139 H C -0.556 174.850 175.328 0.129 0.000 1.065 139 H CA -0.345 55.758 56.048 0.092 0.000 1.264 139 H CB 1.693 31.503 29.762 0.080 0.000 1.413 139 H HN 0.372 nan 8.280 nan 0.000 0.465 140 V N 3.113 123.118 119.914 0.151 0.000 2.555 140 V HA 0.428 4.541 4.120 -0.011 0.000 0.302 140 V C 0.333 176.433 176.094 0.011 0.000 1.038 140 V CA -0.679 61.677 62.300 0.092 0.000 0.887 140 V CB 1.695 33.476 31.823 -0.069 0.000 0.991 140 V HN 0.926 nan 8.190 nan 0.000 0.434 141 S N 1.685 117.399 115.700 0.023 0.000 2.732 141 S HA 0.814 5.277 4.470 -0.011 0.000 0.293 141 S C 0.611 175.190 174.600 -0.035 0.000 1.159 141 S CA -0.043 58.141 58.200 -0.026 0.000 0.847 141 S CB 1.641 64.839 63.200 -0.004 0.000 1.169 141 S HN 2.364 nan 8.310 nan 0.000 0.501 142 G N -0.416 108.357 108.800 -0.045 0.000 2.198 142 G HA2 -0.156 3.798 3.960 -0.011 0.000 0.260 142 G HA3 -0.156 3.798 3.960 -0.011 0.000 0.260 142 G C 0.138 175.009 174.900 -0.048 0.000 1.025 142 G CA 0.471 45.551 45.100 -0.034 0.000 0.769 142 G HN 1.869 nan 8.290 nan 0.000 0.507 143 V N -3.357 116.494 119.914 -0.106 0.000 3.177 143 V HA 0.973 5.086 4.120 -0.011 0.000 0.319 143 V C 0.661 176.685 176.094 -0.116 0.000 1.125 143 V CA -0.808 61.421 62.300 -0.118 0.000 1.029 143 V CB 1.699 33.315 31.823 -0.346 0.000 1.119 143 V HN 1.656 nan 8.190 nan 0.000 0.452 144 A N 1.182 123.938 122.820 -0.106 0.000 2.366 144 A HA 0.793 5.106 4.320 -0.011 0.000 0.272 144 A C 0.586 178.015 177.584 -0.257 0.000 1.135 144 A CA 0.061 51.930 52.037 -0.280 0.000 0.804 144 A CB -0.020 18.568 19.000 -0.687 0.000 1.064 144 A HN 2.073 nan 8.150 nan 0.000 0.499 145 A N 1.743 124.417 122.820 -0.243 0.000 2.462 145 A HA 0.449 4.762 4.320 -0.011 0.000 0.243 145 A C 0.162 177.608 177.584 -0.230 0.000 1.076 145 A CA 0.604 52.378 52.037 -0.438 0.000 0.773 145 A CB -0.875 17.736 19.000 -0.649 0.000 1.010 145 A HN 1.648 nan 8.150 nan 0.000 0.493 146 W N -1.134 120.266 121.300 0.167 0.000 2.248 146 W HA -0.171 4.483 4.660 -0.009 0.000 0.283 146 W C 0.327 177.021 176.519 0.292 0.000 1.116 146 W CA 0.569 58.030 57.345 0.194 0.000 0.508 146 W CB -2.333 27.216 29.460 0.148 0.000 2.155 146 W HN 0.889 nan 8.180 nan 0.000 1.207 147 H N 0.397 119.573 119.070 0.177 0.000 2.525 147 H HA 0.461 5.010 4.556 -0.011 0.000 0.340 147 H C 0.269 175.548 175.328 -0.082 0.000 1.168 147 H CA -0.912 55.127 56.048 -0.016 0.000 1.247 147 H CB 1.224 30.876 29.762 -0.183 0.000 1.568 147 H HN -0.054 nan 8.280 nan 0.000 0.536 148 E N 1.395 121.517 120.200 -0.130 0.000 2.191 148 E HA 0.234 4.577 4.350 -0.011 0.000 0.278 148 E C -1.242 175.147 176.600 -0.351 0.000 0.972 148 E CA -0.430 55.912 56.400 -0.097 0.000 0.804 148 E CB 1.396 31.067 29.700 -0.049 0.000 1.110 148 E HN 0.373 nan 8.360 nan 0.000 0.394 149 Y N 0.314 120.639 120.300 0.043 0.000 2.485 149 Y HA 0.385 4.929 4.550 -0.011 0.000 0.345 149 Y C 0.436 176.335 175.900 -0.002 0.000 0.998 149 Y CA -0.732 57.380 58.100 0.020 0.000 1.059 149 Y CB 2.268 40.736 38.460 0.013 0.000 1.234 149 Y HN 0.462 nan 8.280 nan 0.000 0.461 150 T N -1.314 113.308 114.554 0.112 0.000 2.901 150 T HA 0.848 5.191 4.350 -0.011 0.000 0.293 150 T C -1.355 173.347 174.700 0.004 0.000 1.084 150 T CA -0.859 61.273 62.100 0.053 0.000 1.008 150 T CB 1.464 70.348 68.868 0.027 0.000 1.170 150 T HN 0.338 nan 8.240 nan 0.000 0.509 151 V N 1.335 121.244 119.914 -0.009 0.000 2.628 151 V HA 0.658 4.771 4.120 -0.011 0.000 0.306 151 V C -0.215 175.900 176.094 0.035 0.000 1.045 151 V CA -0.882 61.375 62.300 -0.072 0.000 0.905 151 V CB 2.094 33.822 31.823 -0.158 0.000 0.997 151 V HN 1.088 nan 8.190 nan 0.000 0.436 152 S N 4.842 120.526 115.700 -0.027 0.000 2.474 152 S HA 0.781 5.245 4.470 -0.011 0.000 0.321 152 S C -0.682 173.859 174.600 -0.098 0.000 1.080 152 S CA -0.467 57.700 58.200 -0.055 0.000 1.106 152 S CB 0.494 63.611 63.200 -0.139 0.000 0.984 152 S HN 0.630 nan 8.310 nan 0.000 0.464 153 F N 0.503 120.175 119.950 -0.463 0.000 2.588 153 F HA 0.720 5.240 4.527 -0.011 0.000 0.314 153 F C -1.009 174.347 175.800 -0.740 0.000 1.069 153 F CA -1.607 55.700 58.000 -1.155 0.000 0.931 153 F CB 0.750 38.567 39.000 -1.971 0.000 1.260 153 F HN 0.221 nan 8.300 nan 0.000 0.465 154 L N 2.909 123.693 121.223 -0.732 0.000 2.416 154 L HA 0.615 4.948 4.340 -0.011 0.000 0.272 154 L C 0.130 176.719 176.870 -0.468 0.000 1.161 154 L CA -0.460 53.994 54.840 -0.643 0.000 0.845 154 L CB 1.048 42.860 42.059 -0.411 0.000 1.119 154 L HN 0.937 nan 8.230 nan 0.000 0.464 155 A N 3.345 125.834 122.820 -0.550 0.000 2.393 155 A HA 0.640 4.953 4.320 -0.011 0.000 0.306 155 A C -1.344 176.058 177.584 -0.303 0.000 1.050 155 A CA -0.523 51.292 52.037 -0.369 0.000 0.724 155 A CB 0.797 19.554 19.000 -0.405 0.000 1.248 155 A HN 0.479 nan 8.150 nan 0.000 0.424 156 Y N 1.247 121.508 120.300 -0.064 0.000 2.359 156 Y HA 0.351 4.894 4.550 -0.011 0.000 0.330 156 Y C 0.568 176.448 175.900 -0.033 0.000 1.143 156 Y CA 0.047 58.126 58.100 -0.036 0.000 1.318 156 Y CB 0.638 39.096 38.460 -0.003 0.000 1.234 156 Y HN 0.436 nan 8.280 nan 0.000 0.522 157 I N 5.844 126.507 120.570 0.155 0.000 2.301 157 I HA 0.144 4.308 4.170 -0.011 0.000 0.292 157 I C 0.915 177.111 176.117 0.131 0.000 1.046 157 I CA -0.059 61.301 61.300 0.100 0.000 1.282 157 I CB 0.573 38.612 38.000 0.065 0.000 1.409 157 I HN 0.674 nan 8.210 nan 0.000 0.484 158 I N 2.860 123.504 120.570 0.124 0.000 3.956 158 I HA 0.309 4.472 4.170 -0.011 0.000 0.333 158 I C -0.329 175.901 176.117 0.188 0.000 1.302 158 I CA 0.060 61.428 61.300 0.113 0.000 1.122 158 I CB 0.374 38.402 38.000 0.048 0.000 1.013 158 I HN 0.456 nan 8.210 nan 0.000 0.405 159 W N 3.042 124.322 121.300 -0.033 0.000 3.132 159 W HA 0.369 5.022 4.660 -0.011 0.000 0.337 159 W C -1.053 175.423 176.519 -0.070 0.000 1.082 159 W CA -1.640 55.671 57.345 -0.056 0.000 1.242 159 W CB 1.073 30.460 29.460 -0.121 0.000 1.354 159 W HN 0.027 nan 8.180 nan 0.000 0.461 160 D N 7.455 127.967 120.400 0.186 0.000 2.455 160 D HA -0.002 4.632 4.640 -0.011 0.000 0.241 160 D C -1.263 174.911 176.300 -0.210 0.000 1.138 160 D CA -0.633 53.357 54.000 -0.016 0.000 0.877 160 D CB 2.325 43.127 40.800 0.004 0.000 1.187 160 D HN 0.136 nan 8.370 nan 0.000 0.451 161 P HA -0.113 nan 4.420 nan 0.000 0.219 161 P C 1.668 178.807 177.300 -0.267 0.000 1.150 161 P CA 0.437 63.353 63.100 -0.307 0.000 0.814 161 P CB 0.356 31.883 31.700 -0.287 0.000 0.787 162 V N 1.223 121.033 119.914 -0.173 0.000 2.270 162 V HA -0.167 3.947 4.120 -0.011 0.000 0.245 162 V C 2.790 178.823 176.094 -0.102 0.000 1.043 162 V CA 1.824 64.069 62.300 -0.092 0.000 1.014 162 V CB -1.220 30.581 31.823 -0.037 0.000 0.645 162 V HN 0.133 nan 8.190 nan 0.000 0.447 163 E N -0.150 119.988 120.200 -0.104 0.000 2.153 163 E HA -0.233 4.110 4.350 -0.011 0.000 0.194 163 E C 2.147 178.637 176.600 -0.183 0.000 0.988 163 E CA 1.569 57.968 56.400 -0.002 0.000 0.811 163 E CB -0.083 29.699 29.700 0.137 0.000 0.746 163 E HN 0.592 nan 8.360 nan 0.000 0.466 164 M N -0.503 118.698 119.600 -0.666 0.000 2.077 164 M HA -0.210 4.263 4.480 -0.011 0.000 0.261 164 M C 2.312 178.130 176.300 -0.803 0.000 1.070 164 M CA 1.525 55.990 55.300 -1.392 0.000 1.125 164 M CB -0.441 30.990 32.600 -1.948 0.000 1.339 164 M HN 0.111 nan 8.290 nan 0.000 0.409 165 Y N 1.440 121.359 120.300 -0.636 0.000 2.151 165 Y HA -0.316 4.227 4.550 -0.011 0.000 0.284 165 Y C 1.668 177.340 175.900 -0.380 0.000 1.166 165 Y CA 2.612 60.463 58.100 -0.414 0.000 1.163 165 Y CB -0.715 37.609 38.460 -0.228 0.000 0.974 165 Y HN 0.466 nan 8.280 nan 0.000 0.511 166 N N -1.609 116.860 118.700 -0.385 0.000 2.188 166 N HA -0.216 4.517 4.740 -0.011 0.000 0.184 166 N C 1.692 176.522 175.510 -1.134 0.000 1.018 166 N CA 0.994 53.650 53.050 -0.657 0.000 0.858 166 N CB -0.383 37.813 38.487 -0.484 0.000 0.989 166 N HN 0.497 nan 8.380 nan 0.000 0.426 167 H N 1.086 119.572 119.070 -0.975 0.000 2.293 167 H HA -0.003 4.546 4.556 -0.011 0.000 0.300 167 H C 1.979 177.014 175.328 -0.488 0.000 1.082 167 H CA 1.438 57.075 56.048 -0.684 0.000 1.308 167 H CB -0.030 29.780 29.762 0.080 0.000 1.375 167 H HN 0.085 nan 8.280 nan 0.000 0.495 168 L N -0.606 120.480 121.223 -0.230 0.000 2.093 168 L HA -0.133 4.201 4.340 -0.011 0.000 0.208 168 L C 2.394 179.084 176.870 -0.299 0.000 1.085 168 L CA 1.567 56.300 54.840 -0.179 0.000 0.755 168 L CB -0.422 41.501 42.059 -0.226 0.000 0.904 168 L HN 0.370 nan 8.230 nan 0.000 0.435 169 T N -0.825 113.428 114.554 -0.502 0.000 2.942 169 T HA -0.073 4.270 4.350 -0.011 0.000 0.265 169 T C 1.183 175.705 174.700 -0.296 0.000 1.062 169 T CA 1.172 63.003 62.100 -0.449 0.000 1.139 169 T CB -0.246 68.200 68.868 -0.704 0.000 0.883 169 T HN 0.423 nan 8.240 nan 0.000 0.468 170 N N 0.858 119.302 118.700 -0.426 0.000 2.238 170 N HA 0.128 4.861 4.740 -0.011 0.000 0.222 170 N C -0.564 174.815 175.510 -0.217 0.000 1.133 170 N CA -0.150 52.732 53.050 -0.280 0.000 0.854 170 N CB 0.422 38.723 38.487 -0.310 0.000 1.041 170 N HN -0.000 nan 8.380 nan 0.000 0.510 171 D N -0.041 120.225 120.400 -0.224 0.000 2.740 171 D HA -0.190 4.443 4.640 -0.011 0.000 0.231 171 D C -0.312 175.980 176.300 -0.013 0.000 1.194 171 D CA 0.273 54.218 54.000 -0.092 0.000 0.673 171 D CB -0.707 40.088 40.800 -0.007 0.000 0.995 171 D HN 0.374 nan 8.370 nan 0.000 0.411 172 W N 0.840 121.900 121.300 -0.400 0.000 2.937 172 W HA 0.278 4.932 4.660 -0.011 0.000 0.245 172 W C 2.120 178.477 176.519 -0.271 0.000 1.306 172 W CA 0.708 57.811 57.345 -0.403 0.000 1.470 172 W CB -0.882 28.280 29.460 -0.498 0.000 1.132 172 W HN 0.536 nan 8.180 nan 0.000 0.675 173 G N 2.177 110.992 108.800 0.025 0.000 2.602 173 G HA2 -0.439 3.514 3.960 -0.011 0.000 0.310 173 G HA3 -0.439 3.514 3.960 -0.011 0.000 0.310 173 G C 0.957 176.074 174.900 0.361 0.000 1.183 173 G CA 1.123 46.350 45.100 0.212 0.000 0.979 173 G HN 0.328 nan 8.290 nan 0.000 0.545 174 D N 1.680 122.218 120.400 0.231 0.000 2.340 174 D HA 0.041 4.674 4.640 -0.011 0.000 0.220 174 D C 1.013 177.425 176.300 0.187 0.000 1.039 174 D CA 0.653 54.759 54.000 0.178 0.000 0.866 174 D CB -0.021 40.830 40.800 0.084 0.000 0.913 174 D HN 0.622 nan 8.370 nan 0.000 0.523 175 K N 1.916 122.477 120.400 0.270 0.000 2.511 175 K HA -0.097 4.216 4.320 -0.011 0.000 0.280 175 K C 0.241 177.013 176.600 0.287 0.000 1.008 175 K CA -0.095 56.330 56.287 0.230 0.000 1.050 175 K CB 0.557 33.185 32.500 0.214 0.000 0.889 175 K HN 0.084 nan 8.250 nan 0.000 0.484 176 E N 3.356 123.632 120.200 0.127 0.000 2.442 176 E HA -0.092 4.252 4.350 -0.011 0.000 0.262 176 E C -0.788 175.903 176.600 0.153 0.000 1.004 176 E CA 0.140 56.568 56.400 0.047 0.000 0.928 176 E CB 0.389 30.088 29.700 -0.002 0.000 0.937 176 E HN 0.542 nan 8.360 nan 0.000 0.446 177 H N 3.729 122.634 119.070 -0.276 0.000 2.742 177 H HA 0.077 4.626 4.556 -0.011 0.000 0.302 177 H C -0.297 174.936 175.328 -0.159 0.000 1.069 177 H CA -0.515 55.240 56.048 -0.488 0.000 1.446 177 H CB 0.612 29.546 29.762 -1.381 0.000 1.462 177 H HN 0.477 nan 8.280 nan 0.000 0.499 178 E N 3.868 124.201 120.200 0.222 0.000 2.328 178 E HA 0.057 4.400 4.350 -0.011 0.000 0.265 178 E C -0.154 176.596 176.600 0.250 0.000 1.057 178 E CA -0.122 56.408 56.400 0.216 0.000 0.916 178 E CB 0.651 30.471 29.700 0.200 0.000 0.993 178 E HN 0.408 nan 8.360 nan 0.000 0.446 179 I N 6.755 127.442 120.570 0.194 0.000 2.365 179 I HA 0.219 4.383 4.170 -0.011 0.000 0.291 179 I C -1.933 174.319 176.117 0.225 0.000 1.004 179 I CA -2.040 59.378 61.300 0.196 0.000 1.311 179 I CB 0.854 38.946 38.000 0.153 0.000 1.401 179 I HN 0.317 nan 8.210 nan 0.000 0.491 180 P HA 0.468 nan 4.420 nan 0.000 0.283 180 P C -1.314 176.057 177.300 0.119 0.000 1.278 180 P CA -0.424 62.652 63.100 -0.040 0.000 0.834 180 P CB 1.026 32.699 31.700 -0.045 0.000 1.150 181 F N -2.265 117.802 119.950 0.195 0.000 2.599 181 F HA 0.592 5.112 4.527 -0.011 0.000 0.311 181 F C -0.669 175.256 175.800 0.208 0.000 1.076 181 F CA -1.200 56.938 58.000 0.230 0.000 0.937 181 F CB 1.076 40.265 39.000 0.315 0.000 1.282 181 F HN 0.034 nan 8.300 nan 0.000 0.460 182 D N 2.572 123.247 120.400 0.459 0.000 2.373 182 D HA 0.266 4.900 4.640 -0.011 0.000 0.227 182 D C 0.802 177.326 176.300 0.374 0.000 1.091 182 D CA -0.588 53.626 54.000 0.356 0.000 0.840 182 D CB 1.252 42.332 40.800 0.466 0.000 1.060 182 D HN 0.702 nan 8.370 nan 0.000 0.502 183 I N 1.620 122.312 120.570 0.203 0.000 3.334 183 I HA -0.031 4.133 4.170 -0.011 0.000 0.282 183 I C 1.210 177.493 176.117 0.277 0.000 1.313 183 I CA 0.232 61.627 61.300 0.159 0.000 1.396 183 I CB -0.407 37.495 38.000 -0.165 0.000 1.054 183 I HN 0.276 nan 8.210 nan 0.000 0.495 184 Y N 1.922 122.272 120.300 0.083 0.000 2.314 184 Y HA -0.039 4.504 4.550 -0.011 0.000 0.293 184 Y C 1.413 177.169 175.900 -0.239 0.000 1.129 184 Y CA 0.870 58.811 58.100 -0.264 0.000 1.201 184 Y CB -0.055 38.092 38.460 -0.522 0.000 0.999 184 Y HN 0.280 nan 8.280 nan 0.000 0.541 185 H N 1.816 121.014 119.070 0.213 0.000 2.690 185 H HA 0.083 4.632 4.556 -0.011 0.000 0.314 185 H C -1.580 173.816 175.328 0.112 0.000 1.069 185 H CA -1.849 54.292 56.048 0.155 0.000 1.436 185 H CB 0.767 30.653 29.762 0.206 0.000 1.462 185 H HN 0.185 nan 8.280 nan 0.000 0.511 186 P HA -0.149 nan 4.420 nan 0.000 0.217 186 P C 1.352 178.734 177.300 0.137 0.000 1.150 186 P CA 1.400 64.567 63.100 0.112 0.000 0.832 186 P CB 0.177 31.924 31.700 0.078 0.000 0.787 187 A N -0.106 122.822 122.820 0.179 0.000 1.865 187 A HA -0.181 4.132 4.320 -0.011 0.000 0.217 187 A C 2.407 180.115 177.584 0.207 0.000 1.191 187 A CA 2.685 54.846 52.037 0.207 0.000 0.623 187 A CB -1.973 17.145 19.000 0.198 0.000 0.826 187 A HN 0.178 nan 8.150 nan 0.000 0.444 188 T N -1.032 113.703 114.554 0.302 0.000 2.788 188 T HA -0.127 4.216 4.350 -0.011 0.000 0.268 188 T C 2.049 176.760 174.700 0.019 0.000 1.044 188 T CA 1.534 63.748 62.100 0.190 0.000 1.139 188 T CB -0.223 68.906 68.868 0.435 0.000 0.867 188 T HN 0.563 nan 8.240 nan 0.000 0.454 189 R N 1.226 121.782 120.500 0.094 0.000 2.083 189 R HA -0.094 4.239 4.340 -0.011 0.000 0.237 189 R C 2.312 178.650 176.300 0.065 0.000 1.137 189 R CA 1.513 57.648 56.100 0.059 0.000 0.951 189 R CB -0.056 30.318 30.300 0.124 0.000 0.851 189 R HN 0.276 nan 8.270 nan 0.000 0.434 190 K N -0.425 120.007 120.400 0.053 0.000 2.097 190 K HA -0.192 4.121 4.320 -0.011 0.000 0.206 190 K C 2.001 178.545 176.600 -0.094 0.000 1.049 190 K CA 1.482 57.792 56.287 0.038 0.000 0.933 190 K CB -0.375 32.140 32.500 0.025 0.000 0.717 190 K HN 0.208 nan 8.250 nan 0.000 0.442 191 F N 2.019 121.681 119.950 -0.481 0.000 2.126 191 F HA -0.219 4.301 4.527 -0.011 0.000 0.299 191 F C 1.995 177.514 175.800 -0.468 0.000 1.096 191 F CA 1.090 58.642 58.000 -0.746 0.000 1.255 191 F CB -0.290 37.655 39.000 -1.759 0.000 0.997 191 F HN -0.293 nan 8.300 nan 0.000 0.479 192 V N -0.165 119.485 119.914 -0.440 0.000 2.307 192 V HA -0.284 3.829 4.120 -0.011 0.000 0.245 192 V C 2.265 178.172 176.094 -0.312 0.000 1.045 192 V CA 2.034 64.102 62.300 -0.386 0.000 1.024 192 V CB -0.863 30.827 31.823 -0.220 0.000 0.651 192 V HN 0.273 nan 8.190 nan 0.000 0.449 193 F N 0.596 120.498 119.950 -0.081 0.000 2.163 193 F HA -0.090 4.431 4.527 -0.011 0.000 0.297 193 F C 2.247 178.038 175.800 -0.016 0.000 1.094 193 F CA 1.406 59.411 58.000 0.008 0.000 1.290 193 F CB -0.726 38.265 39.000 -0.015 0.000 1.017 193 F HN 0.208 nan 8.300 nan 0.000 0.483 194 D N -0.426 119.999 120.400 0.042 0.000 2.104 194 D HA -0.147 4.486 4.640 -0.011 0.000 0.194 194 D C 2.281 178.526 176.300 -0.092 0.000 0.994 194 D CA 1.995 55.971 54.000 -0.040 0.000 0.830 194 D CB -0.938 39.806 40.800 -0.094 0.000 0.959 194 D HN 0.175 nan 8.370 nan 0.000 0.452 195 T N 0.495 114.886 114.554 -0.271 0.000 2.746 195 T HA -0.156 4.187 4.350 -0.011 0.000 0.267 195 T C 1.699 176.466 174.700 0.111 0.000 1.039 195 T CA 0.677 62.647 62.100 -0.216 0.000 1.142 195 T CB -0.467 68.023 68.868 -0.630 0.000 0.866 195 T HN 0.079 nan 8.240 nan 0.000 0.444 196 F N 2.021 121.959 119.950 -0.020 0.000 2.134 196 F HA -0.044 4.477 4.527 -0.011 0.000 0.299 196 F C 2.384 178.230 175.800 0.076 0.000 1.097 196 F CA 1.363 59.340 58.000 -0.038 0.000 1.264 196 F CB -0.458 38.473 39.000 -0.116 0.000 1.001 196 F HN 0.205 nan 8.300 nan 0.000 0.479 197 E N -0.277 119.915 120.200 -0.014 0.000 2.033 197 E HA -0.360 3.983 4.350 -0.011 0.000 0.199 197 E C 2.270 178.819 176.600 -0.085 0.000 1.011 197 E CA 1.646 57.990 56.400 -0.092 0.000 0.815 197 E CB -0.350 29.351 29.700 0.002 0.000 0.755 197 E HN 0.381 nan 8.360 nan 0.000 0.451 198 Q N 0.331 120.126 119.800 -0.008 0.000 2.045 198 Q HA -0.218 4.116 4.340 -0.011 0.000 0.206 198 Q C 1.700 177.726 176.000 0.043 0.000 0.991 198 Q CA 2.422 58.237 55.803 0.019 0.000 0.851 198 Q CB -0.999 27.770 28.738 0.051 0.000 0.911 198 Q HN 0.560 nan 8.270 nan 0.000 0.418 199 W N 0.207 121.456 121.300 -0.085 0.000 2.321 199 W HA -0.220 4.433 4.660 -0.011 0.000 0.306 199 W C 1.678 178.090 176.519 -0.178 0.000 1.217 199 W CA 1.835 59.147 57.345 -0.055 0.000 1.257 199 W CB -0.334 29.179 29.460 0.087 0.000 1.145 199 W HN 0.243 nan 8.180 nan 0.000 0.509 200 L N 0.562 121.688 121.223 -0.162 0.000 2.012 200 L HA -0.289 4.045 4.340 -0.011 0.000 0.210 200 L C 2.614 179.306 176.870 -0.296 0.000 1.073 200 L CA 1.906 56.544 54.840 -0.338 0.000 0.748 200 L CB -0.938 40.889 42.059 -0.386 0.000 0.891 200 L HN -0.066 nan 8.230 nan 0.000 0.431 201 K N -0.272 120.009 120.400 -0.198 0.000 2.103 201 K HA -0.186 4.127 4.320 -0.011 0.000 0.207 201 K C 1.396 177.893 176.600 -0.171 0.000 1.048 201 K CA 1.452 57.650 56.287 -0.148 0.000 0.930 201 K CB -0.200 32.246 32.500 -0.091 0.000 0.716 201 K HN 0.301 nan 8.250 nan 0.000 0.444 202 D N 0.005 120.278 120.400 -0.212 0.000 2.355 202 D HA -0.006 4.627 4.640 -0.011 0.000 0.218 202 D C -0.051 176.047 176.300 -0.337 0.000 1.004 202 D CA 0.634 54.502 54.000 -0.220 0.000 0.880 202 D CB 0.399 41.108 40.800 -0.151 0.000 0.911 202 D HN -0.083 nan 8.370 nan 0.000 0.528 203 S N 1.156 116.565 115.700 -0.484 0.000 2.139 203 S HA 0.165 4.629 4.470 -0.011 0.000 0.183 203 S C -1.857 172.543 174.600 -0.332 0.000 1.473 203 S CA -0.927 56.960 58.200 -0.521 0.000 1.263 203 S CB 1.604 64.189 63.200 -1.025 0.000 1.170 203 S HN 0.113 nan 8.310 nan 0.000 0.430 204 P HA -0.156 nan 4.420 nan 0.000 0.223 204 P C 1.483 178.723 177.300 -0.101 0.000 1.151 204 P CA 0.997 64.014 63.100 -0.138 0.000 0.787 204 P CB 0.193 31.834 31.700 -0.098 0.000 0.788 205 Q N -0.090 119.652 119.800 -0.097 0.000 2.311 205 Q HA 0.013 4.346 4.340 -0.011 0.000 0.203 205 Q C 0.308 176.288 176.000 -0.033 0.000 0.954 205 Q CA 0.947 56.719 55.803 -0.051 0.000 0.885 205 Q CB -1.784 26.932 28.738 -0.037 0.000 0.963 205 Q HN 0.039 nan 8.270 nan 0.000 0.471 206 T N 3.136 117.646 114.554 -0.074 0.000 2.853 206 T HA 0.054 4.398 4.350 -0.011 0.000 0.298 206 T C 0.078 174.788 174.700 0.017 0.000 0.978 206 T CA 0.055 62.142 62.100 -0.021 0.000 1.152 206 T CB 0.712 69.528 68.868 -0.088 0.000 0.914 206 T HN 0.194 nan 8.240 nan 0.000 0.539 207 D N 1.996 122.443 120.400 0.079 0.000 2.323 207 D HA 0.093 4.726 4.640 -0.011 0.000 0.218 207 D C 0.355 176.714 176.300 0.098 0.000 0.973 207 D CA 0.663 54.719 54.000 0.094 0.000 0.890 207 D CB 0.540 41.416 40.800 0.127 0.000 1.011 207 D HN 0.273 nan 8.370 nan 0.000 0.499 208 V N 2.030 121.998 119.914 0.090 0.000 2.443 208 V HA 0.200 4.313 4.120 -0.011 0.000 0.293 208 V C -0.107 175.958 176.094 -0.049 0.000 1.021 208 V CA -0.783 61.496 62.300 -0.035 0.000 0.848 208 V CB 2.408 34.035 31.823 -0.327 0.000 0.998 208 V HN -0.220 nan 8.190 nan 0.000 0.424 209 V N 5.784 125.662 119.914 -0.060 0.000 2.405 209 V HA 0.287 4.401 4.120 -0.011 0.000 0.264 209 V C 0.729 176.552 176.094 -0.452 0.000 1.048 209 V CA -0.250 61.918 62.300 -0.219 0.000 0.966 209 V CB 0.553 32.153 31.823 -0.371 0.000 1.015 209 V HN 0.801 nan 8.190 nan 0.000 0.477 210 R N 5.384 125.655 120.500 -0.383 0.000 2.287 210 R HA 0.307 4.640 4.340 -0.011 0.000 0.327 210 R C -0.962 175.070 176.300 -0.447 0.000 1.109 210 R CA -0.533 55.364 56.100 -0.338 0.000 1.013 210 R CB 0.083 30.258 30.300 -0.209 0.000 1.126 210 R HN 0.511 nan 8.270 nan 0.000 0.503 211 F N 2.487 122.247 119.950 -0.316 0.000 2.502 211 F HA 0.104 4.624 4.527 -0.011 0.000 0.371 211 F C 0.707 176.192 175.800 -0.525 0.000 1.083 211 F CA 0.416 58.113 58.000 -0.504 0.000 1.174 211 F CB 1.391 39.948 39.000 -0.739 0.000 1.096 211 F HN 0.292 nan 8.300 nan 0.000 0.545 212 T N 2.138 116.478 114.554 -0.358 0.000 3.401 212 T HA 0.285 4.629 4.350 -0.011 0.000 0.341 212 T C 0.441 175.107 174.700 -0.057 0.000 1.674 212 T CA -0.422 61.561 62.100 -0.195 0.000 1.600 212 T CB 0.652 69.358 68.868 -0.269 0.000 0.974 212 T HN 0.612 nan 8.240 nan 0.000 0.672 213 T N 0.288 114.778 114.554 -0.107 0.000 3.257 213 T HA 0.516 4.859 4.350 -0.011 0.000 0.176 213 T C -0.057 174.206 174.700 -0.729 0.000 0.892 213 T CA 0.109 61.995 62.100 -0.357 0.000 1.147 213 T CB 0.197 68.994 68.868 -0.119 0.000 1.840 213 T HN 0.243 nan 8.240 nan 0.000 0.375 214 F N -0.797 118.978 119.950 -0.292 0.000 2.087 214 F HA 0.524 5.044 4.527 -0.011 0.000 0.204 214 F C 0.836 176.221 175.800 -0.692 0.000 1.295 214 F CA -0.791 56.716 58.000 -0.822 0.000 1.260 214 F CB -0.184 38.126 39.000 -1.149 0.000 1.902 214 F HN 0.130 nan 8.300 nan 0.000 0.150 215 F N -1.868 118.124 119.950 0.070 0.000 2.680 215 F HA 0.306 4.827 4.527 -0.011 0.000 0.290 215 F C -0.692 174.822 175.800 -0.476 0.000 1.114 215 F CA -0.633 57.205 58.000 -0.269 0.000 1.333 215 F CB -0.205 38.554 39.000 -0.402 0.000 1.091 215 F HN -0.110 nan 8.300 nan 0.000 0.606 216 Y N 1.380 121.805 120.300 0.208 0.000 2.386 216 Y HA 0.364 4.907 4.550 -0.011 0.000 0.334 216 Y C 0.059 175.982 175.900 0.038 0.000 1.002 216 Y CA -2.091 56.083 58.100 0.124 0.000 1.068 216 Y CB 1.039 39.583 38.460 0.140 0.000 1.203 216 Y HN -0.012 nan 8.280 nan 0.000 0.443 217 Q N 2.675 122.557 119.800 0.136 0.000 2.454 217 Q HA 0.318 4.651 4.340 -0.011 0.000 0.247 217 Q C -0.506 175.489 176.000 -0.009 0.000 1.028 217 Q CA -0.562 55.223 55.803 -0.030 0.000 0.910 217 Q CB 0.641 29.276 28.738 -0.173 0.000 1.276 217 Q HN 0.563 nan 8.270 nan 0.000 0.489 218 F N -1.173 118.779 119.950 0.003 0.000 2.406 218 F HA 0.327 4.847 4.527 -0.011 0.000 0.327 218 F C 0.003 175.815 175.800 0.018 0.000 1.153 218 F CA -1.107 56.865 58.000 -0.047 0.000 1.218 218 F CB 0.080 39.024 39.000 -0.094 0.000 1.215 218 F HN 0.434 nan 8.300 nan 0.000 0.570 219 T N 4.133 118.840 114.554 0.255 0.000 2.778 219 T HA 0.296 4.640 4.350 -0.011 0.000 0.282 219 T C -0.605 174.190 174.700 0.158 0.000 0.983 219 T CA 0.368 62.558 62.100 0.150 0.000 1.193 219 T CB -0.279 68.688 68.868 0.166 0.000 0.938 219 T HN 0.600 nan 8.240 nan 0.000 0.523 220 L N 5.859 127.087 121.223 0.008 0.000 2.676 220 L HA 0.488 4.821 4.340 -0.011 0.000 0.262 220 L C -1.622 175.301 176.870 0.088 0.000 0.965 220 L CA -0.257 54.609 54.840 0.043 0.000 0.920 220 L CB 0.974 42.982 42.059 -0.084 0.000 1.260 220 L HN 0.569 nan 8.230 nan 0.000 0.422 221 L N 4.342 125.620 121.223 0.090 0.000 2.386 221 L HA 0.621 4.954 4.340 -0.011 0.000 0.271 221 L C -0.990 176.010 176.870 0.217 0.000 0.993 221 L CA -0.537 54.400 54.840 0.162 0.000 0.819 221 L CB 2.030 44.097 42.059 0.013 0.000 1.294 221 L HN 0.336 nan 8.230 nan 0.000 0.414 222 F N 0.423 120.456 119.950 0.139 0.000 2.470 222 F HA 0.383 4.903 4.527 -0.011 0.000 0.329 222 F C 0.359 176.282 175.800 0.205 0.000 1.072 222 F CA -0.832 57.251 58.000 0.139 0.000 0.989 222 F CB 1.522 40.615 39.000 0.155 0.000 1.193 222 F HN 0.519 nan 8.300 nan 0.000 0.481 223 D N -0.094 120.411 120.400 0.176 0.000 2.478 223 D HA 0.122 4.755 4.640 -0.011 0.000 0.263 223 D C 0.878 177.264 176.300 0.144 0.000 1.153 223 D CA -0.453 53.611 54.000 0.107 0.000 1.038 223 D CB 0.273 41.048 40.800 -0.042 0.000 1.120 223 D HN 0.543 nan 8.370 nan 0.000 0.564 224 E N 0.349 120.621 120.200 0.120 0.000 2.333 224 E HA -0.242 4.101 4.350 -0.011 0.000 0.198 224 E C 0.536 177.176 176.600 0.067 0.000 1.007 224 E CA 1.075 57.573 56.400 0.164 0.000 0.845 224 E CB -0.315 29.460 29.700 0.126 0.000 0.766 224 E HN 0.573 nan 8.360 nan 0.000 0.507 225 K N 0.579 120.971 120.400 -0.014 0.000 2.437 225 K HA 0.199 4.512 4.320 -0.011 0.000 0.198 225 K C -0.066 176.446 176.600 -0.146 0.000 1.024 225 K CA 0.004 56.259 56.287 -0.054 0.000 1.148 225 K CB 0.200 32.677 32.500 -0.037 0.000 0.860 225 K HN 0.038 nan 8.250 nan 0.000 0.515 226 R N 0.182 120.489 120.500 -0.322 0.000 3.872 226 R HA -0.174 4.159 4.340 -0.011 0.000 0.341 226 R C -0.670 175.603 176.300 -0.045 0.000 1.172 226 R CA 0.671 56.459 56.100 -0.521 0.000 0.901 226 R CB -1.908 28.087 30.300 -0.508 0.000 1.422 226 R HN 0.188 nan 8.270 nan 0.000 0.523 227 R N 1.378 121.849 120.500 -0.049 0.000 2.540 227 R HA 0.235 4.568 4.340 -0.011 0.000 0.287 227 R C 0.100 176.096 176.300 -0.506 0.000 0.980 227 R CA -0.919 55.097 56.100 -0.139 0.000 0.966 227 R CB 1.072 31.293 30.300 -0.132 0.000 1.106 227 R HN 0.140 nan 8.270 nan 0.000 0.480 228 E N 2.530 122.198 120.200 -0.888 0.000 2.480 228 E HA -0.143 4.201 4.350 -0.011 0.000 0.258 228 E C 0.148 176.427 176.600 -0.535 0.000 0.984 228 E CA 0.448 56.121 56.400 -1.212 0.000 0.930 228 E CB 0.727 29.979 29.700 -0.748 0.000 0.936 228 E HN 0.463 nan 8.360 nan 0.000 0.466 229 K N 3.108 123.264 120.400 -0.407 0.000 2.240 229 K HA 0.121 4.434 4.320 -0.011 0.000 0.202 229 K C -0.408 176.110 176.600 -0.135 0.000 1.053 229 K CA 0.387 56.564 56.287 -0.182 0.000 0.973 229 K CB 0.773 33.229 32.500 -0.073 0.000 0.924 229 K HN 0.393 nan 8.250 nan 0.000 0.477 230 V N 1.302 121.129 119.914 -0.145 0.000 2.760 230 V HA 0.450 4.564 4.120 -0.011 0.000 0.309 230 V C -1.280 174.779 176.094 -0.058 0.000 1.077 230 V CA -0.953 61.273 62.300 -0.123 0.000 0.910 230 V CB 1.772 33.415 31.823 -0.300 0.000 1.008 230 V HN -0.037 nan 8.190 nan 0.000 0.424 231 V N 2.830 122.757 119.914 0.022 0.000 2.932 231 V HA 0.811 4.925 4.120 -0.011 0.000 0.307 231 V C -2.112 174.093 176.094 0.185 0.000 1.147 231 V CA -0.163 62.219 62.300 0.138 0.000 0.951 231 V CB 2.321 34.230 31.823 0.142 0.000 1.031 231 V HN 1.038 nan 8.190 nan 0.000 0.426 232 D N 4.277 124.842 120.400 0.275 0.000 2.470 232 D HA 0.148 4.781 4.640 -0.011 0.000 0.233 232 D C 0.031 176.453 176.300 0.203 0.000 1.372 232 D CA -0.395 53.765 54.000 0.266 0.000 0.994 232 D CB 1.027 42.000 40.800 0.289 0.000 1.377 232 D HN 0.587 nan 8.370 nan 0.000 0.586 233 W N 3.773 124.872 121.300 -0.335 0.000 2.387 233 W HA -0.072 4.581 4.660 -0.011 0.000 0.272 233 W C 0.618 176.802 176.519 -0.558 0.000 1.224 233 W CA 1.054 57.863 57.345 -0.892 0.000 1.210 233 W CB -0.117 28.685 29.460 -1.096 0.000 1.125 233 W HN 0.404 nan 8.180 nan 0.000 0.572 234 F N -0.767 119.276 119.950 0.156 0.000 2.678 234 F HA 0.408 4.928 4.527 -0.011 0.000 0.305 234 F C 1.612 177.343 175.800 -0.114 0.000 1.090 234 F CA 0.073 58.052 58.000 -0.035 0.000 1.272 234 F CB -0.863 38.135 39.000 -0.005 0.000 1.060 234 F HN -0.255 nan 8.300 nan 0.000 0.576 235 G N -0.081 108.805 108.800 0.144 0.000 2.420 235 G HA2 0.350 4.303 3.960 -0.011 0.000 0.284 235 G HA3 0.350 4.303 3.960 -0.011 0.000 0.284 235 G C 0.107 175.068 174.900 0.102 0.000 1.177 235 G CA -0.391 44.800 45.100 0.153 0.000 0.841 235 G HN 0.443 nan 8.290 nan 0.000 0.527 236 C N 1.015 120.395 119.300 0.134 0.000 2.469 236 C HA 0.660 5.113 4.460 -0.011 0.000 0.298 236 C C 1.989 177.096 174.990 0.195 0.000 1.436 236 C CA -0.313 58.798 59.018 0.156 0.000 1.783 236 C CB -0.678 27.201 27.740 0.230 0.000 2.726 236 C HN 0.798 nan 8.230 nan 0.000 0.541 237 A N -0.085 122.835 122.820 0.166 0.000 1.933 237 A HA -0.080 4.233 4.320 -0.011 0.000 0.218 237 A C 1.437 179.031 177.584 0.016 0.000 1.175 237 A CA 1.632 53.758 52.037 0.150 0.000 0.628 237 A CB -0.786 18.316 19.000 0.170 0.000 0.814 237 A HN 0.775 nan 8.150 nan 0.000 0.444 238 C N 1.002 120.317 119.300 0.024 0.000 2.687 238 C HA 0.414 4.868 4.460 -0.011 0.000 0.465 238 C C 1.588 176.600 174.990 0.037 0.000 1.304 238 C CA 0.475 59.492 59.018 -0.001 0.000 1.620 238 C CB -1.921 25.829 27.740 0.017 0.000 2.212 238 C HN 0.679 nan 8.230 nan 0.000 0.616 239 T N -3.712 110.805 114.554 -0.061 0.000 3.328 239 T HA 0.242 4.585 4.350 -0.011 0.000 0.305 239 T C 0.065 174.721 174.700 -0.074 0.000 0.939 239 T CA 0.046 62.038 62.100 -0.180 0.000 0.950 239 T CB -0.510 68.253 68.868 -0.175 0.000 1.182 239 T HN 0.307 nan 8.240 nan 0.000 0.545 240 V N 0.143 119.935 119.914 -0.203 0.000 3.096 240 V HA 1.026 5.139 4.120 -0.011 0.000 0.319 240 V C -0.319 175.648 176.094 -0.210 0.000 1.082 240 V CA -0.405 61.708 62.300 -0.312 0.000 1.022 240 V CB 1.407 32.743 31.823 -0.812 0.000 1.103 240 V HN 0.847 nan 8.190 nan 0.000 0.455 241 S N -0.234 115.345 115.700 -0.201 0.000 2.578 241 S HA 0.547 5.011 4.470 -0.011 0.000 0.272 241 S C -2.624 171.900 174.600 -0.126 0.000 1.145 241 S CA -0.610 57.521 58.200 -0.115 0.000 0.835 241 S CB 1.188 64.429 63.200 0.069 0.000 1.104 241 S HN 0.474 nan 8.310 nan 0.000 0.458 242 P HA -0.092 nan 4.420 nan 0.000 0.216 242 P C 1.578 178.925 177.300 0.079 0.000 1.150 242 P CA 1.037 63.962 63.100 -0.292 0.000 0.843 242 P CB 0.042 31.368 31.700 -0.624 0.000 0.787 243 R N -0.153 120.438 120.500 0.151 0.000 2.066 243 R HA -0.073 4.260 4.340 -0.011 0.000 0.232 243 R C 2.100 178.554 176.300 0.257 0.000 1.131 243 R CA 1.672 57.928 56.100 0.261 0.000 0.955 243 R CB -0.848 29.671 30.300 0.365 0.000 0.851 243 R HN 0.071 nan 8.270 nan 0.000 0.432 244 A N 1.047 123.871 122.820 0.008 0.000 1.933 244 A HA -0.117 4.197 4.320 -0.011 0.000 0.218 244 A C 2.215 179.992 177.584 0.320 0.000 1.175 244 A CA 1.103 53.088 52.037 -0.088 0.000 0.628 244 A CB -0.451 18.203 19.000 -0.577 0.000 0.814 244 A HN 0.321 nan 8.150 nan 0.000 0.444 245 L N -0.463 120.916 121.223 0.260 0.000 2.056 245 L HA -0.176 4.157 4.340 -0.011 0.000 0.207 245 L C 2.076 179.127 176.870 0.300 0.000 1.078 245 L CA 1.414 56.422 54.840 0.281 0.000 0.749 245 L CB -0.586 41.609 42.059 0.227 0.000 0.901 245 L HN 0.282 nan 8.230 nan 0.000 0.433 246 D N -0.055 120.527 120.400 0.302 0.000 2.117 246 D HA -0.174 4.460 4.640 -0.011 0.000 0.197 246 D C 1.778 178.210 176.300 0.220 0.000 0.987 246 D CA 1.221 55.375 54.000 0.257 0.000 0.829 246 D CB -0.261 40.700 40.800 0.268 0.000 0.961 246 D HN 0.286 nan 8.370 nan 0.000 0.460 247 D N -0.064 120.496 120.400 0.266 0.000 2.144 247 D HA -0.134 4.500 4.640 -0.011 0.000 0.199 247 D C 1.828 178.190 176.300 0.104 0.000 0.984 247 D CA 0.327 54.483 54.000 0.261 0.000 0.834 247 D CB -0.527 40.560 40.800 0.478 0.000 0.955 247 D HN 0.213 nan 8.370 nan 0.000 0.465 248 F N 1.733 121.569 119.950 -0.190 0.000 2.095 248 F HA -0.189 4.332 4.527 -0.011 0.000 0.298 248 F C 2.311 178.011 175.800 -0.166 0.000 1.104 248 F CA 1.750 59.443 58.000 -0.513 0.000 1.232 248 F CB -0.001 38.703 39.000 -0.493 0.000 0.987 248 F HN -0.102 nan 8.300 nan 0.000 0.475 249 E N 0.373 120.670 120.200 0.162 0.000 2.058 249 E HA -0.250 4.093 4.350 -0.011 0.000 0.194 249 E C 2.274 178.849 176.600 -0.041 0.000 0.997 249 E CA 1.162 57.603 56.400 0.069 0.000 0.801 249 E CB -0.397 29.380 29.700 0.128 0.000 0.746 249 E HN 0.487 nan 8.360 nan 0.000 0.450 250 A N 1.475 124.289 122.820 -0.011 0.000 1.908 250 A HA -0.233 4.081 4.320 -0.011 0.000 0.218 250 A C 2.160 179.682 177.584 -0.103 0.000 1.181 250 A CA 1.847 53.870 52.037 -0.024 0.000 0.627 250 A CB -0.521 18.494 19.000 0.025 0.000 0.818 250 A HN 0.227 nan 8.150 nan 0.000 0.445 251 K N -2.271 118.016 120.400 -0.187 0.000 2.167 251 K HA -0.076 4.238 4.320 -0.011 0.000 0.203 251 K C 1.140 177.409 176.600 -0.550 0.000 1.052 251 K CA 1.216 57.303 56.287 -0.333 0.000 0.956 251 K CB -0.114 32.191 32.500 -0.325 0.000 0.735 251 K HN 0.586 nan 8.250 nan 0.000 0.451 252 Y N -0.759 119.221 120.300 -0.533 0.000 2.444 252 Y HA 0.216 4.759 4.550 -0.011 0.000 0.249 252 Y C 1.154 176.948 175.900 -0.175 0.000 1.134 252 Y CA 0.391 58.188 58.100 -0.505 0.000 1.261 252 Y CB 1.273 39.052 38.460 -1.135 0.000 1.143 252 Y HN 0.275 nan 8.280 nan 0.000 0.523 253 G N 0.541 109.327 108.800 -0.023 0.000 2.160 253 G HA2 -0.328 3.625 3.960 -0.011 0.000 0.251 253 G HA3 -0.328 3.625 3.960 -0.011 0.000 0.251 253 G C -0.346 174.699 174.900 0.242 0.000 1.008 253 G CA 0.680 45.835 45.100 0.091 0.000 0.724 253 G HN 0.569 nan 8.290 nan 0.000 0.514 254 Y N -3.123 117.244 120.300 0.111 0.000 2.604 254 Y HA 0.761 5.304 4.550 -0.011 0.000 0.331 254 Y C -0.620 175.426 175.900 0.244 0.000 1.158 254 Y CA -1.827 56.363 58.100 0.150 0.000 1.056 254 Y CB 0.877 39.421 38.460 0.140 0.000 1.330 254 Y HN 0.184 nan 8.280 nan 0.000 0.457 255 R N 3.273 123.932 120.500 0.264 0.000 2.265 255 R HA 0.581 4.915 4.340 -0.011 0.000 0.319 255 R C -1.074 175.340 176.300 0.189 0.000 1.006 255 R CA -0.686 55.519 56.100 0.175 0.000 0.880 255 R CB 0.772 31.153 30.300 0.135 0.000 1.077 255 R HN 0.883 nan 8.270 nan 0.000 0.454 256 L N 4.294 125.537 121.223 0.034 0.000 2.456 256 L HA 0.188 4.522 4.340 -0.011 0.000 0.272 256 L C 0.839 177.714 176.870 0.008 0.000 1.189 256 L CA 0.293 55.112 54.840 -0.034 0.000 0.846 256 L CB 0.440 42.338 42.059 -0.268 0.000 1.111 256 L HN 0.505 nan 8.230 nan 0.000 0.475 257 R N 3.121 123.604 120.500 -0.029 0.000 2.500 257 R HA 0.176 4.509 4.340 -0.011 0.000 0.275 257 R C -1.539 174.651 176.300 -0.184 0.000 1.051 257 R CA -1.585 54.474 56.100 -0.068 0.000 1.088 257 R CB 0.555 30.816 30.300 -0.065 0.000 1.063 257 R HN 0.331 nan 8.270 nan 0.000 0.511 258 P HA -0.219 nan 4.420 nan 0.000 0.217 258 P C 0.736 177.781 177.300 -0.425 0.000 1.148 258 P CA 1.257 63.876 63.100 -0.802 0.000 0.828 258 P CB 0.286 31.550 31.700 -0.726 0.000 0.783 259 E N -0.188 119.857 120.200 -0.258 0.000 2.209 259 E HA -0.188 4.155 4.350 -0.011 0.000 0.196 259 E C 1.327 177.798 176.600 -0.215 0.000 0.993 259 E CA 1.170 57.450 56.400 -0.201 0.000 0.819 259 E CB -0.915 28.702 29.700 -0.139 0.000 0.745 259 E HN 0.226 nan 8.360 nan 0.000 0.477 260 D N -1.240 119.008 120.400 -0.254 0.000 2.378 260 D HA -0.103 4.530 4.640 -0.011 0.000 0.222 260 D C 0.821 176.762 176.300 -0.599 0.000 0.980 260 D CA 0.649 54.416 54.000 -0.389 0.000 0.907 260 D CB 0.063 40.599 40.800 -0.441 0.000 0.899 260 D HN 0.292 nan 8.370 nan 0.000 0.527 261 F N -0.244 119.524 119.950 -0.302 0.000 2.532 261 F HA -0.045 4.475 4.527 -0.011 0.000 0.278 261 F C 2.354 178.023 175.800 -0.218 0.000 0.975 261 F CA 0.060 57.914 58.000 -0.243 0.000 1.292 261 F CB -0.593 38.277 39.000 -0.217 0.000 1.112 261 F HN -0.197 nan 8.300 nan 0.000 0.703 262 V N -1.657 118.166 119.914 -0.150 0.000 2.548 262 V HA -0.090 4.023 4.120 -0.011 0.000 0.249 262 V C 0.676 176.505 176.094 -0.443 0.000 1.055 262 V CA 1.381 63.391 62.300 -0.483 0.000 1.065 262 V CB -0.858 30.698 31.823 -0.446 0.000 0.681 262 V HN 0.524 nan 8.190 nan 0.000 0.462 263 D N 0.721 120.969 120.400 -0.254 0.000 2.699 263 D HA -0.075 4.559 4.640 -0.011 0.000 0.239 263 D C 1.139 177.345 176.300 -0.156 0.000 1.136 263 D CA 1.498 55.394 54.000 -0.173 0.000 0.668 263 D CB -1.535 39.195 40.800 -0.116 0.000 1.060 263 D HN 1.653 nan 8.370 nan 0.000 0.429 264 G N -0.933 107.766 108.800 -0.168 0.000 2.168 264 G HA2 -0.002 3.951 3.960 -0.011 0.000 0.263 264 G HA3 -0.002 3.951 3.960 -0.011 0.000 0.263 264 G C 1.492 176.319 174.900 -0.121 0.000 0.977 264 G CA 0.853 45.880 45.100 -0.121 0.000 0.659 264 G HN 1.813 nan 8.290 nan 0.000 0.533 265 G N -1.790 106.880 108.800 -0.216 0.000 2.184 265 G HA2 0.191 4.144 3.960 -0.011 0.000 0.206 265 G HA3 0.191 4.144 3.960 -0.011 0.000 0.206 265 G C 1.323 176.209 174.900 -0.023 0.000 0.995 265 G CA 1.148 46.151 45.100 -0.163 0.000 0.651 265 G HN 1.953 nan 8.290 nan 0.000 0.511 266 A N -0.411 122.385 122.820 -0.040 0.000 2.021 266 A HA 0.480 4.793 4.320 -0.011 0.000 0.216 266 A C 1.381 179.100 177.584 0.225 0.000 1.163 266 A CA 1.668 53.762 52.037 0.096 0.000 0.676 266 A CB -0.404 18.634 19.000 0.063 0.000 0.818 266 A HN 1.426 nan 8.150 nan 0.000 0.453 267 Y N -0.800 119.536 120.300 0.060 0.000 3.491 267 Y HA -0.270 4.274 4.550 -0.011 0.000 0.215 267 Y C 0.634 176.592 175.900 0.096 0.000 1.219 267 Y CA 0.633 58.779 58.100 0.076 0.000 1.485 267 Y CB -2.488 36.026 38.460 0.089 0.000 1.450 267 Y HN 0.582 nan 8.280 nan 0.000 0.603 268 N N -1.717 117.085 118.700 0.170 0.000 2.725 268 N HA -0.207 4.526 4.740 -0.011 0.000 0.249 268 N C 0.265 175.925 175.510 0.250 0.000 1.103 268 N CA 1.147 54.299 53.050 0.169 0.000 0.707 268 N CB -1.144 37.415 38.487 0.121 0.000 1.043 268 N HN 0.600 nan 8.380 nan 0.000 0.553 269 S N -0.508 115.359 115.700 0.277 0.000 2.817 269 S HA 0.074 4.538 4.470 -0.011 0.000 0.333 269 S C 1.728 176.577 174.600 0.414 0.000 1.227 269 S CA 0.494 58.903 58.200 0.349 0.000 1.027 269 S CB 0.529 63.923 63.200 0.323 0.000 0.732 269 S HN 0.467 nan 8.310 nan 0.000 0.499 270 A N 4.998 128.099 122.820 0.468 0.000 2.139 270 A HA -0.094 4.219 4.320 -0.011 0.000 0.221 270 A C 1.469 179.302 177.584 0.416 0.000 1.159 270 A CA 1.499 53.786 52.037 0.417 0.000 0.662 270 A CB -0.748 18.375 19.000 0.204 0.000 0.796 270 A HN 0.991 nan 8.150 nan 0.000 0.463 271 W N 0.347 121.785 121.300 0.230 0.000 2.595 271 W HA 0.087 4.740 4.660 -0.012 0.000 0.257 271 W C 0.966 177.454 176.519 -0.052 0.000 1.267 271 W CA 0.150 57.539 57.345 0.073 0.000 1.300 271 W CB 0.073 29.706 29.460 0.288 0.000 1.120 271 W HN 0.060 nan 8.180 nan 0.000 0.618 272 R N 0.909 121.553 120.500 0.240 0.000 2.438 272 R HA 0.143 4.476 4.340 -0.011 0.000 0.287 272 R C -0.171 176.088 176.300 -0.068 0.000 1.077 272 R CA -0.346 55.812 56.100 0.097 0.000 1.034 272 R CB 0.747 31.114 30.300 0.112 0.000 0.993 272 R HN -0.261 nan 8.270 nan 0.000 0.459 273 V N 6.639 126.469 119.914 -0.140 0.000 2.475 273 V HA -0.000 4.113 4.120 -0.011 0.000 0.292 273 V C -1.436 174.491 176.094 -0.279 0.000 1.003 273 V CA -0.648 61.489 62.300 -0.271 0.000 1.120 273 V CB 0.137 31.834 31.823 -0.210 0.000 0.937 273 V HN 0.625 nan 8.190 nan 0.000 0.476 274 P HA 0.307 nan 4.420 nan 0.000 0.275 274 P C -0.522 176.630 177.300 -0.248 0.000 1.228 274 P CA -0.360 62.541 63.100 -0.331 0.000 0.786 274 P CB 1.075 32.421 31.700 -0.590 0.000 0.927 275 R N 2.029 122.437 120.500 -0.152 0.000 3.112 275 R HA 0.406 4.739 4.340 -0.011 0.000 0.227 275 R C 1.156 177.406 176.300 -0.083 0.000 1.519 275 R CA -0.872 55.149 56.100 -0.132 0.000 1.051 275 R CB 0.000 30.225 30.300 -0.125 0.000 1.652 275 R HN 0.259 nan 8.270 nan 0.000 0.517 276 K N 0.203 120.560 120.400 -0.071 0.000 2.032 276 K HA -0.153 4.160 4.320 -0.011 0.000 0.209 276 K C 1.907 178.533 176.600 0.043 0.000 1.048 276 K CA 1.991 58.267 56.287 -0.019 0.000 0.927 276 K CB -0.396 32.074 32.500 -0.049 0.000 0.712 276 K HN 0.597 nan 8.250 nan 0.000 0.441 277 A N 0.922 123.749 122.820 0.012 0.000 1.908 277 A HA -0.222 4.091 4.320 -0.011 0.000 0.218 277 A C 2.030 179.593 177.584 -0.036 0.000 1.181 277 A CA 1.689 53.748 52.037 0.035 0.000 0.627 277 A CB -0.500 18.462 19.000 -0.062 0.000 0.818 277 A HN 0.427 nan 8.150 nan 0.000 0.445 278 Q N -0.368 119.403 119.800 -0.048 0.000 2.046 278 Q HA -0.061 4.272 4.340 -0.011 0.000 0.200 278 Q C 2.259 178.337 176.000 0.131 0.000 0.975 278 Q CA 1.668 57.479 55.803 0.014 0.000 0.836 278 Q CB -0.269 28.493 28.738 0.040 0.000 0.896 278 Q HN 0.656 nan 8.270 nan 0.000 0.428 279 R N 0.407 120.972 120.500 0.109 0.000 2.081 279 R HA -0.126 4.207 4.340 -0.011 0.000 0.235 279 R C 1.531 177.929 176.300 0.163 0.000 1.131 279 R CA 1.371 57.557 56.100 0.143 0.000 0.960 279 R CB -0.243 30.109 30.300 0.088 0.000 0.856 279 R HN 0.313 nan 8.270 nan 0.000 0.436 280 D N -0.131 120.360 120.400 0.152 0.000 2.117 280 D HA -0.216 4.418 4.640 -0.011 0.000 0.197 280 D C 1.496 177.900 176.300 0.175 0.000 0.987 280 D CA 0.765 54.831 54.000 0.109 0.000 0.829 280 D CB -0.304 40.521 40.800 0.042 0.000 0.961 280 D HN 0.338 nan 8.370 nan 0.000 0.460 281 W N 1.401 122.712 121.300 0.018 0.000 2.355 281 W HA -0.129 4.525 4.660 -0.011 0.000 0.309 281 W C 2.007 178.630 176.519 0.173 0.000 1.206 281 W CA 0.690 58.074 57.345 0.064 0.000 1.284 281 W CB -0.348 29.033 29.460 -0.131 0.000 1.145 281 W HN -0.068 nan 8.180 nan 0.000 0.502 282 I N 0.880 121.563 120.570 0.188 0.000 2.194 282 I HA -0.367 3.796 4.170 -0.011 0.000 0.246 282 I C 2.109 178.255 176.117 0.048 0.000 1.093 282 I CA 1.846 63.202 61.300 0.093 0.000 1.355 282 I CB -0.619 37.466 38.000 0.142 0.000 1.046 282 I HN -0.136 nan 8.210 nan 0.000 0.413 283 D N 0.260 120.735 120.400 0.125 0.000 2.097 283 D HA -0.177 4.456 4.640 -0.011 0.000 0.197 283 D C 1.901 178.305 176.300 0.174 0.000 0.984 283 D CA 1.113 55.208 54.000 0.159 0.000 0.826 283 D CB -0.364 40.579 40.800 0.239 0.000 0.973 283 D HN 0.194 nan 8.370 nan 0.000 0.460 284 F N 1.599 121.570 119.950 0.035 0.000 2.043 284 F HA -0.220 4.300 4.527 -0.011 0.000 0.297 284 F C 2.216 177.910 175.800 -0.176 0.000 1.121 284 F CA 1.116 59.104 58.000 -0.019 0.000 1.199 284 F CB -0.730 38.240 39.000 -0.051 0.000 0.968 284 F HN -0.075 nan 8.300 nan 0.000 0.478 285 L N -0.337 120.588 121.223 -0.496 0.000 2.012 285 L HA -0.194 4.139 4.340 -0.011 0.000 0.210 285 L C 2.628 179.418 176.870 -0.133 0.000 1.073 285 L CA 2.286 56.839 54.840 -0.478 0.000 0.748 285 L CB -1.312 40.435 42.059 -0.521 0.000 0.891 285 L HN 0.287 nan 8.230 nan 0.000 0.431 286 S N -0.612 115.040 115.700 -0.079 0.000 2.370 286 S HA -0.146 4.317 4.470 -0.011 0.000 0.226 286 S C 2.011 176.614 174.600 0.005 0.000 1.033 286 S CA 1.230 59.427 58.200 -0.005 0.000 1.011 286 S CB -0.937 62.272 63.200 0.014 0.000 0.852 286 S HN 0.718 nan 8.310 nan 0.000 0.457 287 G N 0.520 109.320 108.800 -0.000 0.000 2.491 287 G HA2 -0.266 3.687 3.960 -0.011 0.000 0.218 287 G HA3 -0.266 3.687 3.960 -0.011 0.000 0.218 287 G C 1.268 176.161 174.900 -0.011 0.000 1.180 287 G CA 1.151 46.252 45.100 0.001 0.000 0.774 287 G HN 0.568 nan 8.290 nan 0.000 0.562 288 F N 1.156 121.004 119.950 -0.169 0.000 2.075 288 F HA -0.064 4.456 4.527 -0.011 0.000 0.297 288 F C 2.773 178.530 175.800 -0.072 0.000 1.113 288 F CA 1.600 59.512 58.000 -0.148 0.000 1.218 288 F CB -0.547 38.340 39.000 -0.189 0.000 0.984 288 F HN 0.007 nan 8.300 nan 0.000 0.472 289 V N 1.160 121.037 119.914 -0.061 0.000 2.282 289 V HA -0.350 3.764 4.120 -0.011 0.000 0.249 289 V C 2.610 178.630 176.094 -0.123 0.000 1.057 289 V CA 2.443 64.736 62.300 -0.012 0.000 1.032 289 V CB -0.733 31.223 31.823 0.222 0.000 0.645 289 V HN 0.301 nan 8.190 nan 0.000 0.447 290 R N -0.480 119.953 120.500 -0.112 0.000 2.083 290 R HA -0.219 4.115 4.340 -0.011 0.000 0.237 290 R C 2.456 178.635 176.300 -0.202 0.000 1.137 290 R CA 1.896 57.910 56.100 -0.143 0.000 0.951 290 R CB -0.435 29.823 30.300 -0.070 0.000 0.851 290 R HN 0.641 nan 8.270 nan 0.000 0.434 291 E N 0.522 120.597 120.200 -0.208 0.000 2.114 291 E HA -0.236 4.108 4.350 -0.011 0.000 0.199 291 E C 1.463 177.903 176.600 -0.266 0.000 1.008 291 E CA 1.392 57.655 56.400 -0.227 0.000 0.810 291 E CB 0.022 29.586 29.700 -0.226 0.000 0.739 291 E HN 0.353 nan 8.360 nan 0.000 0.456 292 N N -0.183 118.312 118.700 -0.342 0.000 2.333 292 N HA -0.087 4.647 4.740 -0.011 0.000 0.178 292 N C 1.935 177.414 175.510 -0.052 0.000 1.018 292 N CA 0.765 53.684 53.050 -0.218 0.000 0.882 292 N CB 0.203 38.327 38.487 -0.605 0.000 0.984 292 N HN 0.069 nan 8.380 nan 0.000 0.434 293 V N 2.017 121.799 119.914 -0.220 0.000 2.343 293 V HA -0.229 3.885 4.120 -0.011 0.000 0.247 293 V C 2.524 178.361 176.094 -0.427 0.000 1.051 293 V CA 1.524 63.451 62.300 -0.622 0.000 1.036 293 V CB -0.440 30.823 31.823 -0.932 0.000 0.654 293 V HN 0.292 nan 8.190 nan 0.000 0.451 294 K N -0.044 120.174 120.400 -0.304 0.000 2.032 294 K HA -0.302 4.011 4.320 -0.011 0.000 0.209 294 K C 2.314 178.801 176.600 -0.188 0.000 1.048 294 K CA 2.197 58.343 56.287 -0.236 0.000 0.927 294 K CB -0.186 32.199 32.500 -0.191 0.000 0.712 294 K HN 0.560 nan 8.250 nan 0.000 0.441 295 Q N 0.573 120.272 119.800 -0.167 0.000 2.084 295 Q HA -0.156 4.177 4.340 -0.011 0.000 0.202 295 Q C 2.103 178.093 176.000 -0.017 0.000 0.978 295 Q CA 1.483 57.198 55.803 -0.147 0.000 0.844 295 Q CB -0.078 28.469 28.738 -0.318 0.000 0.898 295 Q HN 0.386 nan 8.270 nan 0.000 0.426 296 L N 0.135 121.363 121.223 0.008 0.000 2.042 296 L HA -0.201 4.133 4.340 -0.011 0.000 0.210 296 L C 2.580 179.432 176.870 -0.030 0.000 1.076 296 L CA 1.158 55.955 54.840 -0.073 0.000 0.749 296 L CB -0.670 41.057 42.059 -0.554 0.000 0.893 296 L HN 0.366 nan 8.230 nan 0.000 0.432 297 A N -0.315 122.390 122.820 -0.192 0.000 1.897 297 A HA -0.197 4.116 4.320 -0.011 0.000 0.215 297 A C 1.902 179.255 177.584 -0.384 0.000 1.181 297 A CA 1.696 53.568 52.037 -0.275 0.000 0.620 297 A CB -0.460 18.347 19.000 -0.321 0.000 0.821 297 A HN 0.331 nan 8.150 nan 0.000 0.443 298 D N -0.174 120.119 120.400 -0.178 0.000 2.123 298 D HA -0.166 4.467 4.640 -0.011 0.000 0.196 298 D C 1.997 178.315 176.300 0.029 0.000 0.992 298 D CA 1.487 55.459 54.000 -0.047 0.000 0.833 298 D CB -0.368 40.413 40.800 -0.031 0.000 0.954 298 D HN 0.497 nan 8.370 nan 0.000 0.455 299 M N 0.306 119.959 119.600 0.088 0.000 2.132 299 M HA -0.128 4.345 4.480 -0.011 0.000 0.263 299 M C 2.343 178.748 176.300 0.176 0.000 1.065 299 M CA 1.013 56.412 55.300 0.166 0.000 1.122 299 M CB -0.111 32.691 32.600 0.337 0.000 1.365 299 M HN -0.116 nan 8.290 nan 0.000 0.411 300 S N -0.498 115.359 115.700 0.262 0.000 2.359 300 S HA -0.198 4.265 4.470 -0.011 0.000 0.224 300 S C 1.625 176.334 174.600 0.182 0.000 1.035 300 S CA 1.456 59.800 58.200 0.239 0.000 1.018 300 S CB -0.836 62.542 63.200 0.297 0.000 0.876 300 S HN 0.573 nan 8.310 nan 0.000 0.448 301 H N 0.900 120.045 119.070 0.126 0.000 2.353 301 H HA 0.041 4.590 4.556 -0.011 0.000 0.300 301 H C 2.373 177.729 175.328 0.047 0.000 1.090 301 H CA 0.817 56.910 56.048 0.075 0.000 1.327 301 H CB -0.133 29.664 29.762 0.058 0.000 1.383 301 H HN 0.454 nan 8.280 nan 0.000 0.508 302 A N 0.821 123.739 122.820 0.163 0.000 2.119 302 A HA 0.078 4.391 4.320 -0.011 0.000 0.217 302 A C 2.263 179.875 177.584 0.046 0.000 1.153 302 A CA 1.027 53.113 52.037 0.081 0.000 0.692 302 A CB -0.340 18.691 19.000 0.052 0.000 0.799 302 A HN 0.453 nan 8.150 nan 0.000 0.458 303 A N -1.659 121.190 122.820 0.048 0.000 2.275 303 A HA 0.440 4.753 4.320 -0.011 0.000 0.212 303 A C 1.589 179.185 177.584 0.020 0.000 1.201 303 A CA 0.989 53.029 52.037 0.005 0.000 0.843 303 A CB -0.738 18.238 19.000 -0.040 0.000 0.873 303 A HN 1.791 nan 8.150 nan 0.000 0.492 304 G N -0.383 108.453 108.800 0.060 0.000 2.171 304 G HA2 -0.216 3.737 3.960 -0.011 0.000 0.238 304 G HA3 -0.216 3.737 3.960 -0.011 0.000 0.238 304 G C -0.103 174.844 174.900 0.079 0.000 1.039 304 G CA 0.509 45.645 45.100 0.060 0.000 0.759 304 G HN 0.578 nan 8.290 nan 0.000 0.501 305 K N -0.223 120.253 120.400 0.127 0.000 2.385 305 K HA 0.495 4.809 4.320 -0.011 0.000 0.248 305 K C -0.027 176.709 176.600 0.226 0.000 0.955 305 K CA -0.886 55.483 56.287 0.137 0.000 0.816 305 K CB 2.011 34.577 32.500 0.109 0.000 1.250 305 K HN 0.271 nan 8.250 nan 0.000 0.434 306 E N 0.778 121.093 120.200 0.193 0.000 2.343 306 E HA 0.285 4.628 4.350 -0.011 0.000 0.269 306 E C -0.789 175.927 176.600 0.193 0.000 1.047 306 E CA -0.521 56.022 56.400 0.238 0.000 0.874 306 E CB 1.267 31.084 29.700 0.194 0.000 1.033 306 E HN 0.528 nan 8.360 nan 0.000 0.409 307 A N 3.675 126.631 122.820 0.226 0.000 2.260 307 A HA 0.488 4.801 4.320 -0.011 0.000 0.314 307 A C -0.548 177.139 177.584 0.172 0.000 1.257 307 A CA -0.459 51.731 52.037 0.255 0.000 0.871 307 A CB 0.417 19.549 19.000 0.219 0.000 1.166 307 A HN 0.651 nan 8.150 nan 0.000 0.522 308 M N 4.356 124.046 119.600 0.151 0.000 2.326 308 M HA 0.599 5.072 4.480 -0.011 0.000 0.306 308 M C -1.145 175.230 176.300 0.124 0.000 1.054 308 M CA -0.535 54.783 55.300 0.029 0.000 0.922 308 M CB 1.658 34.167 32.600 -0.152 0.000 1.632 308 M HN 0.813 nan 8.290 nan 0.000 0.436 309 M N 4.787 124.445 119.600 0.097 0.000 2.268 309 M HA 0.394 4.868 4.480 -0.011 0.000 0.344 309 M C -1.761 174.574 176.300 0.058 0.000 1.106 309 M CA -0.614 54.718 55.300 0.053 0.000 1.010 309 M CB 1.258 33.985 32.600 0.211 0.000 1.649 309 M HN 0.812 nan 8.290 nan 0.000 0.443 310 F N 5.739 125.593 119.950 -0.161 0.000 2.467 310 F HA 0.263 4.784 4.527 -0.011 0.000 0.362 310 F C -0.660 175.072 175.800 -0.113 0.000 1.090 310 F CA -0.624 57.297 58.000 -0.132 0.000 1.202 310 F CB 0.564 39.477 39.000 -0.146 0.000 1.113 310 F HN 0.582 nan 8.300 nan 0.000 0.541 311 L N 7.249 128.113 121.223 -0.600 0.000 2.382 311 L HA 0.515 4.848 4.340 -0.011 0.000 0.259 311 L C 0.139 176.287 176.870 -1.204 0.000 1.291 311 L CA 0.635 55.053 54.840 -0.703 0.000 1.176 311 L CB -1.017 40.782 42.059 -0.433 0.000 1.373 311 L HN 0.808 nan 8.230 nan 0.000 0.426 312 G N 0.815 108.882 108.800 -1.222 0.000 2.317 312 G HA2 0.295 4.248 3.960 -0.011 0.000 0.293 312 G HA3 0.295 4.248 3.960 -0.011 0.000 0.293 312 G C -0.990 173.815 174.900 -0.158 0.000 1.287 312 G CA -0.218 44.322 45.100 -0.933 0.000 0.850 312 G HN 0.254 nan 8.290 nan 0.000 0.515 313 D N -0.884 119.705 120.400 0.315 0.000 3.417 313 D HA -0.190 4.443 4.640 -0.011 0.000 0.163 313 D C 1.034 177.565 176.300 0.385 0.000 1.070 313 D CA 1.884 56.129 54.000 0.408 0.000 1.047 313 D CB -0.638 40.369 40.800 0.345 0.000 0.514 313 D HN 0.654 nan 8.370 nan 0.000 0.532 314 Q N 1.179 121.103 119.800 0.208 0.000 3.151 314 Q HA 0.120 4.453 4.340 -0.011 0.000 0.277 314 Q C 0.772 176.893 176.000 0.202 0.000 1.343 314 Q CA -0.010 55.885 55.803 0.152 0.000 0.925 314 Q CB -0.835 27.929 28.738 0.043 0.000 1.771 314 Q HN 0.521 nan 8.270 nan 0.000 0.514 315 W N -0.283 121.007 121.300 -0.016 0.000 3.278 315 W HA 0.279 4.933 4.660 -0.011 0.000 0.308 315 W C -0.893 175.635 176.519 0.015 0.000 1.253 315 W CA -0.606 56.718 57.345 -0.035 0.000 1.759 315 W CB 0.065 29.406 29.460 -0.198 0.000 1.093 315 W HN 0.069 nan 8.180 nan 0.000 0.648 316 I N 2.289 122.673 120.570 -0.310 0.000 2.588 316 I HA 0.247 4.410 4.170 -0.011 0.000 0.283 316 I C 1.683 177.737 176.117 -0.104 0.000 1.119 316 I CA 1.436 62.475 61.300 -0.435 0.000 1.419 316 I CB 0.049 37.919 38.000 -0.216 0.000 1.394 316 I HN 0.418 nan 8.210 nan 0.000 0.562 317 G N 4.219 112.911 108.800 -0.180 0.000 2.175 317 G HA2 -0.329 3.624 3.960 -0.011 0.000 0.244 317 G HA3 -0.329 3.624 3.960 -0.011 0.000 0.244 317 G C 0.916 175.814 174.900 -0.002 0.000 0.982 317 G CA 0.698 45.776 45.100 -0.036 0.000 0.641 317 G HN 0.677 nan 8.290 nan 0.000 0.527 318 T N -1.623 112.925 114.554 -0.010 0.000 2.812 318 T HA 0.226 4.570 4.350 -0.011 0.000 0.264 318 T C 0.877 175.632 174.700 0.092 0.000 1.042 318 T CA 1.314 63.491 62.100 0.127 0.000 1.140 318 T CB -0.138 68.901 68.868 0.286 0.000 0.870 318 T HN 0.807 nan 8.240 nan 0.000 0.445 319 E N 1.358 121.518 120.200 -0.067 0.000 2.291 319 E HA -0.116 4.227 4.350 -0.011 0.000 0.181 319 E C -2.007 174.437 176.600 -0.259 0.000 1.480 319 E CA 0.505 56.851 56.400 -0.091 0.000 0.674 319 E CB -1.497 28.188 29.700 -0.024 0.000 1.108 319 E HN 0.435 nan 8.360 nan 0.000 0.357 320 P HA -0.155 nan 4.420 nan 0.000 0.219 320 P C 0.936 177.719 177.300 -0.862 0.000 1.146 320 P CA 1.278 63.481 63.100 -1.494 0.000 0.808 320 P CB 0.005 31.098 31.700 -1.012 0.000 0.779 321 Y N -1.370 118.763 120.300 -0.278 0.000 2.458 321 Y HA 0.179 4.723 4.550 -0.011 0.000 0.256 321 Y C 1.025 176.891 175.900 -0.057 0.000 1.159 321 Y CA -0.032 57.991 58.100 -0.128 0.000 1.261 321 Y CB 0.021 38.410 38.460 -0.117 0.000 1.119 321 Y HN -0.218 nan 8.280 nan 0.000 0.524 322 K N 1.224 121.663 120.400 0.064 0.000 2.174 322 K HA 0.090 4.403 4.320 -0.011 0.000 0.275 322 K C -0.623 176.041 176.600 0.106 0.000 1.015 322 K CA -0.693 55.645 56.287 0.086 0.000 0.933 322 K CB 0.625 33.170 32.500 0.075 0.000 1.025 322 K HN -0.003 nan 8.250 nan 0.000 0.463 323 D N 0.541 121.000 120.400 0.098 0.000 2.548 323 D HA -0.013 4.621 4.640 -0.011 0.000 0.231 323 D C 1.250 177.611 176.300 0.102 0.000 1.142 323 D CA 1.519 55.576 54.000 0.094 0.000 0.866 323 D CB 0.523 41.367 40.800 0.073 0.000 1.190 323 D HN 0.825 nan 8.370 nan 0.000 0.469 324 G N 1.445 110.302 108.800 0.096 0.000 2.176 324 G HA2 -0.373 3.580 3.960 -0.011 0.000 0.253 324 G HA3 -0.373 3.580 3.960 -0.011 0.000 0.253 324 G C 0.879 175.834 174.900 0.091 0.000 0.979 324 G CA 0.272 45.416 45.100 0.072 0.000 0.641 324 G HN 0.469 nan 8.290 nan 0.000 0.530 325 F N 2.846 122.788 119.950 -0.014 0.000 2.161 325 F HA -0.071 4.450 4.527 -0.011 0.000 0.300 325 F C 2.495 178.278 175.800 -0.027 0.000 1.089 325 F CA 2.313 60.295 58.000 -0.029 0.000 1.282 325 F CB -0.055 38.921 39.000 -0.040 0.000 1.010 325 F HN 0.366 nan 8.300 nan 0.000 0.485 326 D N -0.070 120.336 120.400 0.009 0.000 2.265 326 D HA -0.249 4.384 4.640 -0.011 0.000 0.208 326 D C 1.362 177.598 176.300 -0.108 0.000 0.977 326 D CA 1.559 55.527 54.000 -0.053 0.000 0.871 326 D CB -0.942 39.870 40.800 0.020 0.000 0.925 326 D HN 0.517 nan 8.370 nan 0.000 0.485 327 E N -0.198 119.938 120.200 -0.107 0.000 2.502 327 E HA 0.114 4.457 4.350 -0.011 0.000 0.194 327 E C 2.062 178.578 176.600 -0.140 0.000 1.062 327 E CA -0.150 56.194 56.400 -0.093 0.000 0.867 327 E CB 0.065 29.729 29.700 -0.060 0.000 0.888 327 E HN 0.353 nan 8.360 nan 0.000 0.510 328 L N -0.314 120.761 121.223 -0.246 0.000 2.217 328 L HA 0.049 4.383 4.340 -0.011 0.000 0.211 328 L C 1.654 178.408 176.870 -0.193 0.000 1.107 328 L CA 0.765 55.436 54.840 -0.280 0.000 0.783 328 L CB -0.381 41.397 42.059 -0.468 0.000 0.919 328 L HN 0.310 nan 8.230 nan 0.000 0.442 329 G N 0.568 109.281 108.800 -0.146 0.000 2.136 329 G HA2 -0.271 3.682 3.960 -0.011 0.000 0.242 329 G HA3 -0.271 3.682 3.960 -0.011 0.000 0.242 329 G C 0.172 175.110 174.900 0.063 0.000 0.989 329 G CA -0.290 44.816 45.100 0.010 0.000 0.682 329 G HN 0.201 nan 8.290 nan 0.000 0.522 330 L N 0.741 121.907 121.223 -0.095 0.000 2.499 330 L HA 0.169 4.502 4.340 -0.011 0.000 0.273 330 L C 1.491 178.376 176.870 0.024 0.000 1.195 330 L CA -0.104 54.712 54.840 -0.041 0.000 0.882 330 L CB 0.407 42.397 42.059 -0.115 0.000 1.133 330 L HN 0.164 nan 8.230 nan 0.000 0.483 331 D N 2.469 122.922 120.400 0.087 0.000 2.149 331 D HA 0.039 4.672 4.640 -0.011 0.000 0.201 331 D C 0.490 176.669 176.300 -0.202 0.000 0.972 331 D CA 1.075 55.110 54.000 0.059 0.000 0.835 331 D CB 0.505 41.414 40.800 0.181 0.000 0.966 331 D HN 0.616 nan 8.370 nan 0.000 0.476 332 A N 0.113 122.758 122.820 -0.292 0.000 2.606 332 A HA 0.531 4.844 4.320 -0.011 0.000 0.293 332 A C -1.198 176.274 177.584 -0.188 0.000 1.082 332 A CA -0.552 51.175 52.037 -0.516 0.000 0.685 332 A CB 1.985 20.275 19.000 -1.183 0.000 1.284 332 A HN -0.080 nan 8.150 nan 0.000 0.408 333 V N 0.680 120.517 119.914 -0.128 0.000 2.555 333 V HA 0.669 4.783 4.120 -0.011 0.000 0.302 333 V C -0.403 175.673 176.094 -0.030 0.000 1.038 333 V CA -0.576 61.710 62.300 -0.024 0.000 0.887 333 V CB 1.595 33.436 31.823 0.029 0.000 0.991 333 V HN 0.973 nan 8.190 nan 0.000 0.434 334 V N 3.991 123.918 119.914 0.022 0.000 2.628 334 V HA 1.031 5.145 4.120 -0.011 0.000 0.306 334 V C 0.168 176.317 176.094 0.092 0.000 1.045 334 V CA 0.443 62.789 62.300 0.077 0.000 0.905 334 V CB 1.702 33.599 31.823 0.122 0.000 0.997 334 V HN 1.060 nan 8.190 nan 0.000 0.436 335 G N 2.989 111.816 108.800 0.045 0.000 2.684 335 G HA2 0.523 4.476 3.960 -0.011 0.000 0.290 335 G HA3 0.523 4.476 3.960 -0.011 0.000 0.290 335 G C -1.177 173.702 174.900 -0.035 0.000 1.425 335 G CA -0.575 44.498 45.100 -0.046 0.000 0.822 335 G HN 0.783 nan 8.290 nan 0.000 0.482 336 S N 0.364 116.018 115.700 -0.077 0.000 2.523 336 S HA 0.348 4.812 4.470 -0.011 0.000 0.275 336 S C 0.353 174.870 174.600 -0.137 0.000 1.281 336 S CA -0.424 57.721 58.200 -0.090 0.000 1.050 336 S CB 0.751 63.896 63.200 -0.093 0.000 0.937 336 S HN 0.365 nan 8.310 nan 0.000 0.492 337 I N 3.927 124.346 120.570 -0.251 0.000 2.281 337 I HA 0.171 4.334 4.170 -0.011 0.000 0.293 337 I C 1.367 177.383 176.117 -0.167 0.000 1.085 337 I CA 0.124 61.232 61.300 -0.320 0.000 1.257 337 I CB 0.037 37.604 38.000 -0.721 0.000 1.430 337 I HN 0.872 nan 8.210 nan 0.000 0.489 338 G N 5.380 114.111 108.800 -0.116 0.000 2.656 338 G HA2 0.104 4.058 3.960 -0.011 0.000 0.211 338 G HA3 0.104 4.058 3.960 -0.011 0.000 0.211 338 G C 0.106 174.956 174.900 -0.083 0.000 1.137 338 G CA 0.343 45.391 45.100 -0.086 0.000 0.802 338 G HN 0.654 nan 8.290 nan 0.000 0.527 339 D N -3.712 116.617 120.400 -0.119 0.000 2.893 339 D HA 0.232 4.865 4.640 -0.011 0.000 0.346 339 D C 1.251 177.443 176.300 -0.180 0.000 1.402 339 D CA 0.088 54.020 54.000 -0.115 0.000 0.815 339 D CB 0.141 40.897 40.800 -0.074 0.000 1.403 339 D HN 0.003 nan 8.370 nan 0.000 0.484 340 G N -0.697 107.967 108.800 -0.226 0.000 2.440 340 G HA2 -0.219 3.734 3.960 -0.011 0.000 0.218 340 G HA3 -0.219 3.734 3.960 -0.011 0.000 0.218 340 G C 1.159 175.844 174.900 -0.357 0.000 1.154 340 G CA 1.873 46.800 45.100 -0.287 0.000 0.767 340 G HN 0.524 nan 8.290 nan 0.000 0.552 341 T N 1.077 115.441 114.554 -0.317 0.000 2.746 341 T HA -0.148 4.195 4.350 -0.011 0.000 0.267 341 T C 2.797 177.335 174.700 -0.270 0.000 1.039 341 T CA 2.184 64.107 62.100 -0.294 0.000 1.142 341 T CB -0.577 68.149 68.868 -0.237 0.000 0.866 341 T HN 0.575 nan 8.240 nan 0.000 0.444 342 T N -0.004 114.417 114.554 -0.221 0.000 2.985 342 T HA -0.050 4.293 4.350 -0.011 0.000 0.266 342 T C 2.091 176.668 174.700 -0.206 0.000 1.076 342 T CA 1.247 63.221 62.100 -0.209 0.000 1.135 342 T CB -0.850 67.844 68.868 -0.290 0.000 0.890 342 T HN 0.253 nan 8.240 nan 0.000 0.480 343 T N 2.148 116.552 114.554 -0.250 0.000 2.622 343 T HA -0.093 4.251 4.350 -0.011 0.000 0.266 343 T C 2.215 176.750 174.700 -0.275 0.000 1.047 343 T CA 1.093 63.050 62.100 -0.240 0.000 1.159 343 T CB -0.227 68.507 68.868 -0.223 0.000 0.863 343 T HN 0.230 nan 8.240 nan 0.000 0.422 344 R N 0.891 121.098 120.500 -0.489 0.000 2.103 344 R HA 0.006 4.340 4.340 -0.011 0.000 0.242 344 R C 2.381 178.391 176.300 -0.483 0.000 1.142 344 R CA 1.131 56.785 56.100 -0.744 0.000 0.960 344 R CB -1.032 28.164 30.300 -1.840 0.000 0.858 344 R HN 0.456 nan 8.270 nan 0.000 0.439 345 M N 0.196 119.622 119.600 -0.290 0.000 2.202 345 M HA -0.148 4.325 4.480 -0.011 0.000 0.262 345 M C 1.804 178.192 176.300 0.146 0.000 1.063 345 M CA 1.591 56.943 55.300 0.086 0.000 1.097 345 M CB -0.008 32.663 32.600 0.118 0.000 1.382 345 M HN 0.033 nan 8.290 nan 0.000 0.413 346 I N -0.455 120.119 120.570 0.007 0.000 2.339 346 I HA -0.124 4.039 4.170 -0.011 0.000 0.245 346 I C 2.584 178.720 176.117 0.030 0.000 1.096 346 I CA 0.936 62.238 61.300 0.003 0.000 1.408 346 I CB -0.659 37.320 38.000 -0.036 0.000 1.092 346 I HN 0.245 nan 8.210 nan 0.000 0.423 347 A N 0.642 123.469 122.820 0.012 0.000 1.930 347 A HA -0.203 4.110 4.320 -0.011 0.000 0.217 347 A C 1.712 179.353 177.584 0.096 0.000 1.175 347 A CA 2.010 54.074 52.037 0.046 0.000 0.627 347 A CB -0.560 18.443 19.000 0.005 0.000 0.815 347 A HN 0.349 nan 8.150 nan 0.000 0.443 348 D N -0.406 120.091 120.400 0.162 0.000 2.355 348 D HA 0.128 4.761 4.640 -0.011 0.000 0.218 348 D C 0.379 176.798 176.300 0.198 0.000 1.004 348 D CA 0.044 54.211 54.000 0.279 0.000 0.880 348 D CB -0.248 40.856 40.800 0.507 0.000 0.911 348 D HN 0.459 nan 8.370 nan 0.000 0.528 349 I N 3.268 123.837 120.570 -0.003 0.000 2.741 349 I HA 0.013 4.177 4.170 -0.011 0.000 0.288 349 I C -1.769 174.271 176.117 -0.128 0.000 1.192 349 I CA -1.041 60.041 61.300 -0.363 0.000 1.426 349 I CB 0.367 38.169 38.000 -0.329 0.000 1.367 349 I HN -0.129 nan 8.210 nan 0.000 0.563 350 P HA 0.333 nan 4.420 nan 0.000 0.283 350 P C 0.414 177.789 177.300 0.124 0.000 1.278 350 P CA -0.236 62.883 63.100 0.031 0.000 0.834 350 P CB 1.581 33.313 31.700 0.052 0.000 1.150 351 G N -1.168 107.708 108.800 0.127 0.000 2.176 351 G HA2 -0.131 3.823 3.960 -0.011 0.000 0.232 351 G HA3 -0.131 3.823 3.960 -0.011 0.000 0.232 351 G C -0.075 174.872 174.900 0.077 0.000 0.986 351 G CA 0.144 45.324 45.100 0.133 0.000 0.643 351 G HN 0.768 nan 8.290 nan 0.000 0.522 352 V N -3.043 116.928 119.914 0.095 0.000 3.046 352 V HA 0.809 4.922 4.120 -0.011 0.000 0.316 352 V C 1.227 177.366 176.094 0.076 0.000 1.104 352 V CA -0.172 62.162 62.300 0.056 0.000 1.006 352 V CB 1.616 33.462 31.823 0.039 0.000 1.058 352 V HN 0.060 nan 8.190 nan 0.000 0.440 353 K N 0.638 121.092 120.400 0.090 0.000 2.186 353 K HA 0.209 4.522 4.320 -0.011 0.000 0.202 353 K C -0.122 176.661 176.600 0.306 0.000 1.052 353 K CA 1.549 57.953 56.287 0.194 0.000 0.965 353 K CB 0.033 32.690 32.500 0.261 0.000 0.746 353 K HN 0.840 nan 8.250 nan 0.000 0.457 354 Y N -1.607 118.753 120.300 0.100 0.000 2.656 354 Y HA 0.403 4.947 4.550 -0.011 0.000 0.334 354 Y C -0.944 175.028 175.900 0.119 0.000 1.179 354 Y CA -1.468 56.702 58.100 0.116 0.000 1.050 354 Y CB 1.103 39.635 38.460 0.120 0.000 1.308 354 Y HN -0.124 nan 8.280 nan 0.000 0.456 355 T N -1.130 113.560 114.554 0.227 0.000 2.907 355 T HA 0.686 5.029 4.350 -0.011 0.000 0.292 355 T C -1.289 173.555 174.700 0.239 0.000 1.043 355 T CA -0.719 61.456 62.100 0.126 0.000 1.003 355 T CB 2.418 71.360 68.868 0.123 0.000 1.084 355 T HN 0.937 nan 8.240 nan 0.000 0.483 356 E N 0.157 120.453 120.200 0.159 0.000 2.292 356 E HA 0.574 4.917 4.350 -0.011 0.000 0.272 356 E C -0.677 175.982 176.600 0.098 0.000 0.881 356 E CA -1.026 55.487 56.400 0.189 0.000 0.754 356 E CB 1.694 31.533 29.700 0.231 0.000 1.201 356 E HN 1.022 nan 8.360 nan 0.000 0.425 357 G N 3.078 111.933 108.800 0.091 0.000 2.343 357 G HA2 0.291 4.244 3.960 -0.011 0.000 0.319 357 G HA3 0.291 4.244 3.960 -0.011 0.000 0.319 357 G C -0.653 174.189 174.900 -0.097 0.000 1.126 357 G CA -0.561 44.477 45.100 -0.102 0.000 0.889 357 G HN 0.287 nan 8.290 nan 0.000 0.457 358 R N 2.798 123.196 120.500 -0.171 0.000 2.205 358 R HA 0.267 4.600 4.340 -0.011 0.000 0.342 358 R C -0.735 175.415 176.300 -0.250 0.000 1.058 358 R CA -0.383 55.626 56.100 -0.152 0.000 0.904 358 R CB 0.116 30.375 30.300 -0.070 0.000 1.089 358 R HN 0.430 nan 8.270 nan 0.000 0.471 359 F N 2.963 122.655 119.950 -0.431 0.000 2.368 359 F HA 0.355 4.875 4.527 -0.011 0.000 0.308 359 F C 0.891 176.641 175.800 -0.083 0.000 1.198 359 F CA -0.439 57.369 58.000 -0.320 0.000 1.130 359 F CB 0.757 39.426 39.000 -0.551 0.000 1.300 359 F HN 0.147 nan 8.300 nan 0.000 0.537 360 L N 2.057 123.480 121.223 0.334 0.000 2.333 360 L HA 0.498 4.831 4.340 -0.011 0.000 0.269 360 L C -2.427 174.789 176.870 0.577 0.000 1.010 360 L CA -2.146 52.930 54.840 0.394 0.000 0.818 360 L CB 1.904 44.110 42.059 0.245 0.000 1.306 360 L HN 0.281 nan 8.230 nan 0.000 0.430 361 P HA 0.047 nan 4.420 nan 0.000 0.277 361 P C -1.112 176.517 177.300 0.549 0.000 1.240 361 P CA -0.353 63.005 63.100 0.429 0.000 0.798 361 P CB 0.668 32.519 31.700 0.252 0.000 0.979 362 Y N 2.357 122.830 120.300 0.288 0.000 2.683 362 Y HA 0.078 4.621 4.550 -0.011 0.000 0.340 362 Y C -0.054 176.109 175.900 0.438 0.000 1.245 362 Y CA 0.111 58.325 58.100 0.190 0.000 1.485 362 Y CB -0.063 38.453 38.460 0.094 0.000 1.328 362 Y HN 0.135 nan 8.280 nan 0.000 0.603 363 F N 8.144 127.837 119.950 -0.429 0.000 2.462 363 F HA 0.309 4.830 4.527 -0.011 0.000 0.354 363 F C -0.450 175.228 175.800 -0.203 0.000 1.192 363 F CA -0.735 57.008 58.000 -0.428 0.000 1.173 363 F CB -1.199 37.499 39.000 -0.503 0.000 1.402 363 F HN 0.378 nan 8.300 nan 0.000 0.595 364 F N 3.899 123.943 119.950 0.157 0.000 2.678 364 F HA 0.399 4.919 4.527 -0.011 0.000 0.308 364 F C -2.132 173.868 175.800 0.333 0.000 1.118 364 F CA -2.068 56.093 58.000 0.268 0.000 0.959 364 F CB 2.406 41.646 39.000 0.400 0.000 1.305 364 F HN -0.036 nan 8.300 nan 0.000 0.443 365 P HA -0.105 nan 4.420 nan 0.000 0.225 365 P C 0.832 178.182 177.300 0.083 0.000 1.148 365 P CA 1.310 64.356 63.100 -0.090 0.000 0.779 365 P CB -0.034 31.522 31.700 -0.240 0.000 0.780 366 D N -1.614 118.838 120.400 0.087 0.000 2.263 366 D HA -0.116 4.517 4.640 -0.011 0.000 0.208 366 D C 1.106 177.587 176.300 0.301 0.000 0.971 366 D CA 1.578 55.708 54.000 0.217 0.000 0.867 366 D CB -1.062 39.917 40.800 0.298 0.000 0.929 366 D HN 0.119 nan 8.370 nan 0.000 0.492 367 T N -1.139 113.546 114.554 0.218 0.000 3.056 367 T HA 0.168 4.511 4.350 -0.011 0.000 0.243 367 T C 0.282 174.671 174.700 -0.518 0.000 0.995 367 T CA -0.258 61.780 62.100 -0.103 0.000 1.091 367 T CB -0.029 68.705 68.868 -0.223 0.000 0.990 367 T HN 0.001 nan 8.240 nan 0.000 0.464 368 F N 3.836 123.606 119.950 -0.300 0.000 2.541 368 F HA 0.371 4.891 4.527 -0.011 0.000 0.351 368 F C -0.377 175.392 175.800 -0.052 0.000 1.209 368 F CA -1.369 56.232 58.000 -0.666 0.000 1.277 368 F CB -0.467 38.121 39.000 -0.686 0.000 1.632 368 F HN 0.250 nan 8.300 nan 0.000 0.619 369 Y N -1.841 118.547 120.300 0.146 0.000 2.570 369 Y HA 0.590 5.134 4.550 -0.011 0.000 0.345 369 Y C -0.059 176.055 175.900 0.356 0.000 1.014 369 Y CA -2.047 56.217 58.100 0.272 0.000 1.063 369 Y CB 0.579 39.094 38.460 0.092 0.000 1.272 369 Y HN -0.050 nan 8.280 nan 0.000 0.477 370 E N 1.404 121.833 120.200 0.381 0.000 2.558 370 E HA 0.268 4.611 4.350 -0.011 0.000 0.255 370 E C 0.895 177.630 176.600 0.225 0.000 0.968 370 E CA 1.865 58.383 56.400 0.197 0.000 0.939 370 E CB 0.591 30.358 29.700 0.111 0.000 0.921 370 E HN 1.041 nan 8.360 nan 0.000 0.477 371 G N 3.697 112.562 108.800 0.107 0.000 2.339 371 G HA2 -0.260 3.693 3.960 -0.011 0.000 0.209 371 G HA3 -0.260 3.693 3.960 -0.011 0.000 0.209 371 G C 0.553 175.451 174.900 -0.003 0.000 1.015 371 G CA 0.065 45.220 45.100 0.092 0.000 0.635 371 G HN 0.521 nan 8.290 nan 0.000 0.499 372 N N 1.259 119.825 118.700 -0.224 0.000 2.515 372 N HA 0.497 5.230 4.740 -0.011 0.000 0.279 372 N C -1.253 174.144 175.510 -0.189 0.000 1.164 372 N CA -0.204 52.616 53.050 -0.383 0.000 0.982 372 N CB 1.422 39.294 38.487 -1.025 0.000 1.170 372 N HN 0.138 nan 8.380 nan 0.000 0.474 373 D N 2.106 122.408 120.400 -0.164 0.000 2.460 373 D HA 0.399 5.032 4.640 -0.011 0.000 0.268 373 D C -2.042 174.178 176.300 -0.133 0.000 1.153 373 D CA -2.029 51.929 54.000 -0.071 0.000 0.929 373 D CB 0.920 41.719 40.800 -0.001 0.000 1.015 373 D HN 0.321 nan 8.370 nan 0.000 0.502 374 P HA -0.137 nan 4.420 nan 0.000 0.223 374 P C 1.473 178.815 177.300 0.070 0.000 1.144 374 P CA 0.788 63.609 63.100 -0.465 0.000 0.783 374 P CB 0.181 31.037 31.700 -1.406 0.000 0.771 375 S N -0.661 115.204 115.700 0.274 0.000 2.383 375 S HA -0.196 4.268 4.470 -0.011 0.000 0.229 375 S C 1.902 176.616 174.600 0.190 0.000 1.030 375 S CA 1.107 59.498 58.200 0.318 0.000 1.002 375 S CB -1.545 61.769 63.200 0.191 0.000 0.829 375 S HN 0.065 nan 8.310 nan 0.000 0.467 376 I N 2.048 122.686 120.570 0.114 0.000 2.127 376 I HA -0.215 3.949 4.170 -0.011 0.000 0.241 376 I C 2.929 179.119 176.117 0.122 0.000 1.075 376 I CA 2.099 63.456 61.300 0.094 0.000 1.334 376 I CB -0.475 37.556 38.000 0.052 0.000 1.040 376 I HN 0.489 nan 8.210 nan 0.000 0.405 377 E N 0.999 121.263 120.200 0.107 0.000 2.110 377 E HA -0.195 4.149 4.350 -0.011 0.000 0.193 377 E C 2.258 179.008 176.600 0.250 0.000 0.988 377 E CA 1.421 57.905 56.400 0.140 0.000 0.804 377 E CB -0.265 29.481 29.700 0.077 0.000 0.745 377 E HN 0.499 nan 8.360 nan 0.000 0.458 378 G N 0.994 109.999 108.800 0.342 0.000 2.421 378 G HA2 -0.229 3.724 3.960 -0.011 0.000 0.216 378 G HA3 -0.229 3.724 3.960 -0.011 0.000 0.216 378 G C 1.558 176.683 174.900 0.375 0.000 1.171 378 G CA 0.753 46.125 45.100 0.454 0.000 0.775 378 G HN 0.238 nan 8.290 nan 0.000 0.543 379 L N 0.171 121.569 121.223 0.293 0.000 2.156 379 L HA 0.008 4.341 4.340 -0.011 0.000 0.208 379 L C 2.495 179.542 176.870 0.295 0.000 1.095 379 L CA 0.726 55.755 54.840 0.313 0.000 0.770 379 L CB -0.257 41.934 42.059 0.220 0.000 0.914 379 L HN 0.074 nan 8.230 nan 0.000 0.439 380 D N -0.080 120.457 120.400 0.228 0.000 2.087 380 D HA -0.235 4.398 4.640 -0.011 0.000 0.192 380 D C 1.915 178.336 176.300 0.202 0.000 0.993 380 D CA 1.232 55.340 54.000 0.181 0.000 0.828 380 D CB -0.302 40.586 40.800 0.146 0.000 0.968 380 D HN 0.227 nan 8.370 nan 0.000 0.448 381 N N -0.216 118.639 118.700 0.259 0.000 2.069 381 N HA -0.174 4.560 4.740 -0.011 0.000 0.191 381 N C 1.980 177.725 175.510 0.391 0.000 1.031 381 N CA 1.030 54.255 53.050 0.292 0.000 0.852 381 N CB -0.242 38.459 38.487 0.356 0.000 1.018 381 N HN 0.386 nan 8.380 nan 0.000 0.423 382 W N 2.141 123.609 121.300 0.279 0.000 2.335 382 W HA -0.187 4.467 4.660 -0.011 0.000 0.311 382 W C 2.072 178.720 176.519 0.214 0.000 1.213 382 W CA 0.942 58.452 57.345 0.275 0.000 1.274 382 W CB -0.242 29.335 29.460 0.196 0.000 1.148 382 W HN 0.110 nan 8.180 nan 0.000 0.498 383 R N 0.341 120.841 120.500 -0.000 0.000 2.096 383 R HA -0.198 4.135 4.340 -0.011 0.000 0.240 383 R C 2.291 178.500 176.300 -0.151 0.000 1.139 383 R CA 2.129 58.142 56.100 -0.146 0.000 0.952 383 R CB -0.510 29.799 30.300 0.015 0.000 0.854 383 R HN 0.224 nan 8.270 nan 0.000 0.436 384 K N -0.112 120.260 120.400 -0.047 0.000 2.148 384 K HA -0.033 4.281 4.320 -0.011 0.000 0.204 384 K C 2.077 178.605 176.600 -0.121 0.000 1.050 384 K CA 1.200 57.448 56.287 -0.066 0.000 0.942 384 K CB -0.004 32.479 32.500 -0.027 0.000 0.724 384 K HN 0.148 nan 8.250 nan 0.000 0.446 385 A N 1.554 124.322 122.820 -0.086 0.000 1.970 385 A HA -0.094 4.219 4.320 -0.011 0.000 0.216 385 A C 2.099 179.568 177.584 -0.192 0.000 1.170 385 A CA 0.804 52.794 52.037 -0.078 0.000 0.645 385 A CB -0.305 18.775 19.000 0.133 0.000 0.816 385 A HN 0.182 nan 8.150 nan 0.000 0.447 386 R N 0.645 120.856 120.500 -0.483 0.000 2.073 386 R HA -0.204 4.129 4.340 -0.011 0.000 0.234 386 R C 2.443 178.562 176.300 -0.301 0.000 1.134 386 R CA 1.829 57.539 56.100 -0.652 0.000 0.952 386 R CB -0.363 29.255 30.300 -1.137 0.000 0.850 386 R HN 0.655 nan 8.270 nan 0.000 0.433 387 R N -0.161 120.195 120.500 -0.239 0.000 2.127 387 R HA -0.079 4.254 4.340 -0.011 0.000 0.238 387 R C 1.955 178.183 176.300 -0.119 0.000 1.134 387 R CA 1.570 57.584 56.100 -0.144 0.000 0.975 387 R CB -0.502 29.737 30.300 -0.101 0.000 0.865 387 R HN 0.233 nan 8.270 nan 0.000 0.447 388 A N 1.372 124.104 122.820 -0.146 0.000 1.935 388 A HA 0.108 4.421 4.320 -0.011 0.000 0.214 388 A C 2.187 179.714 177.584 -0.095 0.000 1.178 388 A CA 0.588 52.533 52.037 -0.154 0.000 0.640 388 A CB -0.224 18.636 19.000 -0.233 0.000 0.825 388 A HN 0.264 nan 8.150 nan 0.000 0.447 389 I N 0.116 120.650 120.570 -0.060 0.000 2.286 389 I HA -0.269 3.894 4.170 -0.011 0.000 0.248 389 I C 2.157 178.300 176.117 0.043 0.000 1.115 389 I CA 1.074 62.386 61.300 0.020 0.000 1.392 389 I CB -0.225 37.824 38.000 0.082 0.000 1.065 389 I HN 0.295 nan 8.210 nan 0.000 0.418 390 L N 0.017 121.260 121.223 0.034 0.000 2.191 390 L HA -0.181 4.153 4.340 -0.011 0.000 0.212 390 L C 2.509 179.430 176.870 0.085 0.000 1.103 390 L CA 0.962 55.877 54.840 0.125 0.000 0.769 390 L CB -0.587 41.531 42.059 0.098 0.000 0.908 390 L HN 0.241 nan 8.230 nan 0.000 0.438 391 R N -1.073 119.436 120.500 0.015 0.000 2.173 391 R HA 0.155 4.489 4.340 -0.011 0.000 0.208 391 R C 0.743 177.061 176.300 0.031 0.000 1.035 391 R CA 0.334 56.436 56.100 0.002 0.000 1.004 391 R CB -0.054 30.241 30.300 -0.009 0.000 0.917 391 R HN 0.093 nan 8.270 nan 0.000 0.462 392 S N 1.327 117.045 115.700 0.030 0.000 2.423 392 S HA 0.351 4.814 4.470 -0.011 0.000 0.213 392 S C -2.827 171.811 174.600 0.063 0.000 1.131 392 S CA -1.284 56.946 58.200 0.050 0.000 1.155 392 S CB 1.089 64.312 63.200 0.038 0.000 1.202 392 S HN -0.164 nan 8.310 nan 0.000 0.441 393 P HA 0.245 nan 4.420 nan 0.000 0.268 393 P C -0.213 177.187 177.300 0.166 0.000 1.204 393 P CA -0.216 62.948 63.100 0.106 0.000 0.768 393 P CB 0.171 31.906 31.700 0.059 0.000 0.842 394 I N -0.995 119.722 120.570 0.246 0.000 2.566 394 I HA 0.349 4.512 4.170 -0.011 0.000 0.303 394 I C 0.829 177.216 176.117 0.449 0.000 0.983 394 I CA -0.371 61.122 61.300 0.322 0.000 1.235 394 I CB 1.474 39.679 38.000 0.342 0.000 1.386 394 I HN 0.096 nan 8.210 nan 0.000 0.494 395 S N 2.839 118.794 115.700 0.425 0.000 2.414 395 S HA 0.135 4.599 4.470 -0.011 0.000 0.227 395 S C 0.673 175.563 174.600 0.483 0.000 1.022 395 S CA 0.598 59.056 58.200 0.430 0.000 0.958 395 S CB -0.188 63.243 63.200 0.386 0.000 0.797 395 S HN 0.645 nan 8.310 nan 0.000 0.493 396 R N -0.220 120.564 120.500 0.474 0.000 2.799 396 R HA 0.651 4.984 4.340 -0.011 0.000 0.270 396 R C -0.879 175.411 176.300 -0.016 0.000 1.010 396 R CA -0.582 55.661 56.100 0.239 0.000 0.916 396 R CB 1.814 32.250 30.300 0.227 0.000 1.228 396 R HN 0.249 nan 8.270 nan 0.000 0.469 397 M N -1.166 118.176 119.600 -0.430 0.000 2.719 397 M HA 0.924 5.398 4.480 -0.011 0.000 0.291 397 M C -0.398 175.523 176.300 -0.632 0.000 1.264 397 M CA -0.622 54.370 55.300 -0.515 0.000 0.811 397 M CB 2.695 34.575 32.600 -1.200 0.000 1.756 397 M HN 0.651 nan 8.290 nan 0.000 0.464 398 G N -0.394 107.959 108.800 -0.745 0.000 2.313 398 G HA2 0.481 4.434 3.960 -0.011 0.000 0.296 398 G HA3 0.481 4.434 3.960 -0.011 0.000 0.296 398 G C -2.587 171.857 174.900 -0.760 0.000 1.356 398 G CA -0.805 43.743 45.100 -0.920 0.000 0.833 398 G HN 0.791 nan 8.290 nan 0.000 0.552 399 Y N -1.065 118.977 120.300 -0.429 0.000 2.634 399 Y HA 0.771 5.315 4.550 -0.011 0.000 0.340 399 Y C 0.794 176.429 175.900 -0.442 0.000 1.058 399 Y CA 0.036 57.886 58.100 -0.416 0.000 1.081 399 Y CB 2.577 40.658 38.460 -0.632 0.000 1.295 399 Y HN 0.973 nan 8.280 nan 0.000 0.487 400 G N -0.729 107.866 108.800 -0.343 0.000 2.658 400 G HA2 0.633 4.586 3.960 -0.011 0.000 0.292 400 G HA3 0.633 4.586 3.960 -0.011 0.000 0.292 400 G C -0.356 174.170 174.900 -0.623 0.000 1.320 400 G CA -0.379 44.566 45.100 -0.259 0.000 0.933 400 G HN 1.245 nan 8.290 nan 0.000 0.476 401 G N -1.313 107.169 108.800 -0.531 0.000 2.428 401 G HA2 0.085 4.038 3.960 -0.011 0.000 0.202 401 G HA3 0.085 4.038 3.960 -0.011 0.000 0.202 401 G C -1.171 173.484 174.900 -0.408 0.000 1.247 401 G CA -0.620 43.953 45.100 -0.877 0.000 1.020 401 G HN 0.942 nan 8.290 nan 0.000 0.529 402 Y N 0.706 120.985 120.300 -0.035 0.000 2.425 402 Y HA 0.486 5.030 4.550 -0.011 0.000 0.347 402 Y C 1.619 177.532 175.900 0.021 0.000 0.976 402 Y CA -0.226 57.870 58.100 -0.007 0.000 1.190 402 Y CB 1.257 39.691 38.460 -0.043 0.000 1.136 402 Y HN 0.598 nan 8.280 nan 0.000 0.517 403 L N 2.345 123.690 121.223 0.203 0.000 2.081 403 L HA -0.260 4.073 4.340 -0.011 0.000 0.212 403 L C 2.281 179.117 176.870 -0.057 0.000 1.080 403 L CA 2.328 57.277 54.840 0.181 0.000 0.754 403 L CB -0.699 41.527 42.059 0.278 0.000 0.893 403 L HN 0.752 nan 8.230 nan 0.000 0.433 404 S N -1.404 114.053 115.700 -0.405 0.000 2.400 404 S HA -0.223 4.240 4.470 -0.011 0.000 0.232 404 S C 2.066 176.572 174.600 -0.156 0.000 1.025 404 S CA 1.506 59.358 58.200 -0.581 0.000 0.993 404 S CB -0.939 61.649 63.200 -1.021 0.000 0.808 404 S HN 0.503 nan 8.310 nan 0.000 0.478 405 L N 1.186 122.323 121.223 -0.143 0.000 2.005 405 L HA -0.042 4.291 4.340 -0.011 0.000 0.207 405 L C 3.197 179.953 176.870 -0.189 0.000 1.072 405 L CA 1.328 56.112 54.840 -0.093 0.000 0.744 405 L CB -0.862 41.128 42.059 -0.115 0.000 0.895 405 L HN 0.478 nan 8.230 nan 0.000 0.433 406 A N -0.185 122.240 122.820 -0.659 0.000 1.940 406 A HA -0.200 4.114 4.320 -0.011 0.000 0.219 406 A C 2.391 179.947 177.584 -0.048 0.000 1.176 406 A CA 1.629 53.162 52.037 -0.839 0.000 0.631 406 A CB -0.730 17.349 19.000 -1.535 0.000 0.814 406 A HN 0.452 nan 8.150 nan 0.000 0.446 407 A N -0.571 122.252 122.820 0.006 0.000 2.186 407 A HA -0.117 4.196 4.320 -0.011 0.000 0.219 407 A C 1.887 179.545 177.584 0.123 0.000 1.159 407 A CA 1.618 53.714 52.037 0.098 0.000 0.680 407 A CB -0.363 18.744 19.000 0.179 0.000 0.787 407 A HN 0.558 nan 8.150 nan 0.000 0.467 408 K N -1.512 118.990 120.400 0.171 0.000 2.404 408 K HA 0.188 4.502 4.320 -0.011 0.000 0.194 408 K C -0.969 175.533 176.600 -0.162 0.000 1.023 408 K CA 0.059 56.352 56.287 0.009 0.000 1.094 408 K CB 0.155 32.616 32.500 -0.065 0.000 0.841 408 K HN 0.497 nan 8.250 nan 0.000 0.523 409 F N 1.454 121.476 119.950 0.120 0.000 2.443 409 F HA 0.214 4.734 4.527 -0.011 0.000 0.369 409 F C -1.643 174.269 175.800 0.187 0.000 1.090 409 F CA -2.321 55.781 58.000 0.170 0.000 1.129 409 F CB 1.409 40.567 39.000 0.263 0.000 1.367 409 F HN -0.123 nan 8.300 nan 0.000 0.465 410 P HA -0.236 nan 4.420 nan 0.000 0.215 410 P C 1.638 179.037 177.300 0.165 0.000 1.153 410 P CA 1.506 64.689 63.100 0.140 0.000 0.853 410 P CB 0.375 32.111 31.700 0.059 0.000 0.788 411 K N -1.042 119.463 120.400 0.176 0.000 2.057 411 K HA -0.169 4.144 4.320 -0.011 0.000 0.207 411 K C 2.153 178.865 176.600 0.187 0.000 1.049 411 K CA 1.104 57.481 56.287 0.151 0.000 0.931 411 K CB -0.625 31.956 32.500 0.135 0.000 0.714 411 K HN -0.081 nan 8.250 nan 0.000 0.440 412 F N 1.175 121.222 119.950 0.162 0.000 2.075 412 F HA -0.219 4.301 4.527 -0.011 0.000 0.297 412 F C 1.844 177.748 175.800 0.173 0.000 1.113 412 F CA 1.387 59.480 58.000 0.156 0.000 1.218 412 F CB -0.484 38.648 39.000 0.221 0.000 0.984 412 F HN -0.203 nan 8.300 nan 0.000 0.472 413 V N 0.676 120.740 119.914 0.249 0.000 2.317 413 V HA -0.374 3.740 4.120 -0.011 0.000 0.251 413 V C 2.073 178.307 176.094 0.234 0.000 1.065 413 V CA 2.372 64.861 62.300 0.316 0.000 1.049 413 V CB -0.754 31.227 31.823 0.263 0.000 0.651 413 V HN 0.364 nan 8.190 nan 0.000 0.450 414 D N -0.656 119.808 120.400 0.106 0.000 2.224 414 D HA -0.096 4.537 4.640 -0.011 0.000 0.205 414 D C 2.247 178.547 176.300 -0.001 0.000 0.965 414 D CA 1.533 55.575 54.000 0.070 0.000 0.852 414 D CB -0.142 40.687 40.800 0.048 0.000 0.947 414 D HN 0.429 nan 8.370 nan 0.000 0.494 415 T N 0.468 114.956 114.554 -0.110 0.000 2.812 415 T HA -0.058 4.285 4.350 -0.011 0.000 0.264 415 T C 2.284 176.826 174.700 -0.263 0.000 1.042 415 T CA 0.466 62.467 62.100 -0.165 0.000 1.140 415 T CB -0.074 68.679 68.868 -0.190 0.000 0.870 415 T HN -0.031 nan 8.240 nan 0.000 0.445 416 V N 1.791 121.392 119.914 -0.522 0.000 2.343 416 V HA -0.196 3.917 4.120 -0.011 0.000 0.247 416 V C 2.775 178.553 176.094 -0.527 0.000 1.051 416 V CA 2.010 63.869 62.300 -0.735 0.000 1.036 416 V CB -1.290 29.652 31.823 -1.467 0.000 0.654 416 V HN 0.522 nan 8.190 nan 0.000 0.451 417 T N -0.645 113.799 114.554 -0.182 0.000 2.635 417 T HA -0.339 4.004 4.350 -0.011 0.000 0.267 417 T C 1.836 176.495 174.700 -0.068 0.000 1.040 417 T CA 2.431 64.542 62.100 0.018 0.000 1.156 417 T CB -0.502 68.461 68.868 0.159 0.000 0.863 417 T HN 0.775 nan 8.240 nan 0.000 0.430 418 H N 0.837 119.831 119.070 -0.126 0.000 2.352 418 H HA -0.023 4.527 4.556 -0.011 0.000 0.299 418 H C 2.037 177.241 175.328 -0.208 0.000 1.097 418 H CA 1.649 57.628 56.048 -0.114 0.000 1.311 418 H CB -0.482 29.236 29.762 -0.072 0.000 1.377 418 H HN 0.369 nan 8.280 nan 0.000 0.504 419 I N 0.258 120.624 120.570 -0.341 0.000 2.252 419 I HA -0.194 3.969 4.170 -0.011 0.000 0.245 419 I C 2.779 178.516 176.117 -0.633 0.000 1.102 419 I CA 0.934 61.820 61.300 -0.690 0.000 1.385 419 I CB -0.450 37.150 38.000 -0.667 0.000 1.064 419 I HN 0.476 nan 8.210 nan 0.000 0.414 420 A N 0.866 123.454 122.820 -0.386 0.000 1.902 420 A HA -0.208 4.105 4.320 -0.011 0.000 0.217 420 A C 2.105 179.612 177.584 -0.128 0.000 1.181 420 A CA 1.836 53.742 52.037 -0.217 0.000 0.623 420 A CB -0.634 18.186 19.000 -0.299 0.000 0.818 420 A HN 0.407 nan 8.150 nan 0.000 0.443 421 N N -0.493 118.104 118.700 -0.172 0.000 2.142 421 N HA -0.149 4.584 4.740 -0.011 0.000 0.186 421 N C 1.798 177.249 175.510 -0.099 0.000 1.023 421 N CA 1.529 54.511 53.050 -0.114 0.000 0.852 421 N CB -0.333 38.089 38.487 -0.108 0.000 0.998 421 N HN 0.768 nan 8.380 nan 0.000 0.424 422 E N -0.062 120.019 120.200 -0.198 0.000 2.072 422 E HA -0.139 4.205 4.350 -0.011 0.000 0.191 422 E C 1.822 178.478 176.600 0.093 0.000 0.985 422 E CA 0.390 56.753 56.400 -0.062 0.000 0.801 422 E CB -0.134 29.499 29.700 -0.111 0.000 0.750 422 E HN 0.203 nan 8.360 nan 0.000 0.452 423 F N 1.817 121.657 119.950 -0.183 0.000 2.043 423 F HA -0.265 4.255 4.527 -0.011 0.000 0.297 423 F C 2.381 178.227 175.800 0.078 0.000 1.118 423 F CA 2.046 60.035 58.000 -0.019 0.000 1.202 423 F CB -0.094 38.768 39.000 -0.231 0.000 0.965 423 F HN -0.091 nan 8.300 nan 0.000 0.482 424 R N -0.197 120.427 120.500 0.207 0.000 2.081 424 R HA -0.206 4.127 4.340 -0.011 0.000 0.235 424 R C 1.980 178.284 176.300 0.007 0.000 1.131 424 R CA 1.750 57.917 56.100 0.110 0.000 0.960 424 R CB -0.838 29.517 30.300 0.091 0.000 0.856 424 R HN 0.362 nan 8.270 nan 0.000 0.436 425 D N 0.641 121.032 120.400 -0.015 0.000 2.123 425 D HA -0.143 4.490 4.640 -0.011 0.000 0.196 425 D C 1.757 177.966 176.300 -0.150 0.000 0.992 425 D CA 1.174 55.120 54.000 -0.090 0.000 0.833 425 D CB -0.006 40.761 40.800 -0.056 0.000 0.954 425 D HN 0.131 nan 8.370 nan 0.000 0.455 426 I N -0.696 119.872 120.570 -0.004 0.000 2.163 426 I HA -0.267 3.896 4.170 -0.011 0.000 0.243 426 I C 2.242 178.275 176.117 -0.139 0.000 1.085 426 I CA 1.421 62.748 61.300 0.044 0.000 1.347 426 I CB -0.347 37.742 38.000 0.148 0.000 1.044 426 I HN 0.192 nan 8.210 nan 0.000 0.408 427 H N 0.553 119.488 119.070 -0.225 0.000 2.389 427 H HA -0.161 4.388 4.556 -0.011 0.000 0.299 427 H C 1.774 176.995 175.328 -0.178 0.000 1.081 427 H CA 1.692 57.616 56.048 -0.206 0.000 1.345 427 H CB 0.187 29.830 29.762 -0.198 0.000 1.393 427 H HN 0.229 nan 8.280 nan 0.000 0.520 428 D N -0.105 120.282 120.400 -0.021 0.000 2.149 428 D HA -0.073 4.560 4.640 -0.011 0.000 0.201 428 D C 2.102 178.287 176.300 -0.192 0.000 0.972 428 D CA 0.767 54.728 54.000 -0.065 0.000 0.835 428 D CB -0.078 40.675 40.800 -0.078 0.000 0.966 428 D HN 0.391 nan 8.370 nan 0.000 0.476 429 R N -0.123 120.173 120.500 -0.340 0.000 2.148 429 R HA -0.036 4.297 4.340 -0.011 0.000 0.227 429 R C 1.867 177.926 176.300 -0.403 0.000 1.103 429 R CA 1.537 57.356 56.100 -0.469 0.000 0.983 429 R CB -0.007 29.752 30.300 -0.903 0.000 0.874 429 R HN 0.248 nan 8.270 nan 0.000 0.451 430 T N -5.157 109.157 114.554 -0.399 0.000 3.004 430 T HA 0.230 4.573 4.350 -0.011 0.000 0.266 430 T C 1.303 175.846 174.700 -0.262 0.000 0.986 430 T CA 0.322 62.178 62.100 -0.406 0.000 0.902 430 T CB 1.168 69.634 68.868 -0.670 0.000 1.118 430 T HN 0.277 nan 8.240 nan 0.000 0.522 431 G N 1.405 110.053 108.800 -0.252 0.000 2.166 431 G HA2 0.102 4.055 3.960 -0.011 0.000 0.260 431 G HA3 0.102 4.055 3.960 -0.011 0.000 0.260 431 G C 1.085 175.794 174.900 -0.319 0.000 0.986 431 G CA 0.417 45.405 45.100 -0.187 0.000 0.683 431 G HN 1.874 nan 8.290 nan 0.000 0.527 432 G N -2.501 105.929 108.800 -0.616 0.000 2.182 432 G HA2 0.068 4.021 3.960 -0.011 0.000 0.248 432 G HA3 0.068 4.021 3.960 -0.011 0.000 0.248 432 G C 0.278 175.075 174.900 -0.172 0.000 1.042 432 G CA 0.521 45.255 45.100 -0.610 0.000 0.775 432 G HN 1.607 nan 8.290 nan 0.000 0.501 433 V N 0.651 120.510 119.914 -0.092 0.000 2.481 433 V HA 0.749 4.862 4.120 -0.011 0.000 0.286 433 V C 1.087 177.303 176.094 0.202 0.000 1.042 433 V CA -0.077 62.259 62.300 0.060 0.000 0.928 433 V CB 1.544 33.414 31.823 0.079 0.000 0.986 433 V HN 1.308 nan 8.190 nan 0.000 0.462 434 A N 5.056 127.962 122.820 0.142 0.000 2.511 434 A HA 0.614 4.927 4.320 -0.011 0.000 0.242 434 A C 0.768 178.370 177.584 0.030 0.000 1.069 434 A CA 0.431 52.539 52.037 0.119 0.000 0.763 434 A CB 0.070 19.104 19.000 0.056 0.000 1.001 434 A HN 1.489 nan 8.150 nan 0.000 0.498 435 A N 1.663 124.377 122.820 -0.177 0.000 2.492 435 A HA 0.329 4.643 4.320 -0.011 0.000 0.236 435 A C 0.686 178.041 177.584 -0.382 0.000 1.078 435 A CA 0.280 51.882 52.037 -0.724 0.000 0.773 435 A CB -0.028 18.541 19.000 -0.717 0.000 1.023 435 A HN 0.937 nan 8.150 nan 0.000 0.504 436 E N 0.921 120.861 120.200 -0.434 0.000 2.324 436 E HA 0.320 4.663 4.350 -0.011 0.000 0.271 436 E C 0.438 176.969 176.600 -0.115 0.000 1.028 436 E CA -0.009 56.249 56.400 -0.237 0.000 0.890 436 E CB 0.396 29.927 29.700 -0.282 0.000 1.004 436 E HN 0.708 nan 8.360 nan 0.000 0.431 437 G N 3.780 112.549 108.800 -0.051 0.000 2.372 437 G HA2 0.055 4.009 3.960 -0.011 0.000 0.283 437 G HA3 0.055 4.009 3.960 -0.011 0.000 0.283 437 G C 0.337 175.261 174.900 0.039 0.000 1.177 437 G CA -0.469 44.630 45.100 -0.002 0.000 0.842 437 G HN 0.664 nan 8.290 nan 0.000 0.503 438 E N 1.138 121.387 120.200 0.081 0.000 2.447 438 E HA 0.150 4.493 4.350 -0.011 0.000 0.195 438 E C 0.622 177.251 176.600 0.049 0.000 1.028 438 E CA 0.387 56.877 56.400 0.150 0.000 0.876 438 E CB 0.466 30.373 29.700 0.344 0.000 0.885 438 E HN 0.423 nan 8.360 nan 0.000 0.500 439 L N 0.391 121.581 121.223 -0.056 0.000 2.479 439 L HA 0.396 4.729 4.340 -0.011 0.000 0.255 439 L C -0.631 176.196 176.870 -0.071 0.000 1.026 439 L CA -1.000 53.769 54.840 -0.117 0.000 0.842 439 L CB 1.788 43.663 42.059 -0.307 0.000 1.444 439 L HN -0.271 nan 8.230 nan 0.000 0.409 440 N N 1.035 119.706 118.700 -0.049 0.000 2.446 440 N HA 0.503 5.236 4.740 -0.011 0.000 0.265 440 N C -1.187 174.292 175.510 -0.053 0.000 0.975 440 N CA -0.237 52.791 53.050 -0.037 0.000 0.928 440 N CB 2.444 40.926 38.487 -0.008 0.000 1.160 440 N HN 0.172 nan 8.380 nan 0.000 0.495 441 V N 1.147 121.005 119.914 -0.093 0.000 2.495 441 V HA 0.722 4.835 4.120 -0.011 0.000 0.298 441 V C -0.111 175.862 176.094 -0.202 0.000 1.031 441 V CA -0.920 61.304 62.300 -0.127 0.000 0.871 441 V CB 1.550 33.288 31.823 -0.142 0.000 0.988 441 V HN 0.714 nan 8.190 nan 0.000 0.432 442 A N 5.795 128.489 122.820 -0.210 0.000 2.303 442 A HA 0.820 5.133 4.320 -0.011 0.000 0.320 442 A C -0.624 176.751 177.584 -0.348 0.000 1.192 442 A CA -0.520 51.339 52.037 -0.297 0.000 0.821 442 A CB 0.556 19.412 19.000 -0.240 0.000 1.188 442 A HN 0.790 nan 8.150 nan 0.000 0.492 443 I N 2.738 122.998 120.570 -0.516 0.000 2.352 443 I HA 0.176 4.339 4.170 -0.011 0.000 0.290 443 I C -0.375 175.542 176.117 -0.334 0.000 1.036 443 I CA -0.246 60.784 61.300 -0.450 0.000 1.336 443 I CB 1.155 38.769 38.000 -0.643 0.000 1.407 443 I HN 0.594 nan 8.210 nan 0.000 0.497 444 L N 9.023 130.087 121.223 -0.265 0.000 2.272 444 L HA 0.518 4.851 4.340 -0.011 0.000 0.289 444 L C -0.471 176.142 176.870 -0.427 0.000 1.032 444 L CA 0.241 54.874 54.840 -0.345 0.000 0.810 444 L CB 0.526 42.431 42.059 -0.255 0.000 1.205 444 L HN 0.788 nan 8.230 nan 0.000 0.422 445 N N 1.069 119.411 118.700 -0.597 0.000 3.344 445 N HA 0.358 5.092 4.740 -0.011 0.000 0.296 445 N C -0.000 175.117 175.510 -0.654 0.000 1.571 445 N CA -0.267 52.463 53.050 -0.533 0.000 0.844 445 N CB 0.539 38.979 38.487 -0.078 0.000 1.718 445 N HN 0.176 nan 8.380 nan 0.000 0.589 446 S N -1.394 114.145 115.700 -0.268 0.000 2.402 446 S HA 0.000 4.463 4.470 -0.011 0.000 0.229 446 S C 0.762 175.147 174.600 -0.359 0.000 1.021 446 S CA 0.908 58.954 58.200 -0.257 0.000 0.974 446 S CB -0.494 62.408 63.200 -0.496 0.000 0.800 446 S HN 0.583 nan 8.310 nan 0.000 0.484 447 W N 1.458 122.650 121.300 -0.180 0.000 2.539 447 W HA 0.334 4.987 4.660 -0.011 0.000 0.281 447 W C 1.852 178.275 176.519 -0.161 0.000 1.220 447 W CA 0.393 57.641 57.345 -0.162 0.000 1.332 447 W CB -0.664 28.685 29.460 -0.184 0.000 1.095 447 W HN 0.467 nan 8.180 nan 0.000 0.571 448 G N 1.123 109.946 108.800 0.039 0.000 2.574 448 G HA2 -0.488 3.465 3.960 -0.011 0.000 0.286 448 G HA3 -0.488 3.465 3.960 -0.011 0.000 0.286 448 G C 0.917 175.801 174.900 -0.027 0.000 1.212 448 G CA 0.989 46.079 45.100 -0.017 0.000 0.979 448 G HN 0.216 nan 8.290 nan 0.000 0.557 449 K N 0.580 120.967 120.400 -0.022 0.000 2.097 449 K HA -0.016 4.297 4.320 -0.011 0.000 0.206 449 K C 2.835 179.340 176.600 -0.159 0.000 1.049 449 K CA 2.230 58.476 56.287 -0.069 0.000 0.933 449 K CB -0.307 32.214 32.500 0.035 0.000 0.717 449 K HN 0.646 nan 8.250 nan 0.000 0.442 450 M N -0.838 118.730 119.600 -0.053 0.000 2.446 450 M HA -0.053 4.420 4.480 -0.011 0.000 0.263 450 M C 0.484 176.652 176.300 -0.219 0.000 1.066 450 M CA 1.380 56.655 55.300 -0.042 0.000 1.087 450 M CB 0.173 32.787 32.600 0.023 0.000 1.406 450 M HN -0.120 nan 8.290 nan 0.000 0.459 451 R N 1.501 121.780 120.500 -0.367 0.000 2.865 451 R HA 0.373 4.707 4.340 -0.011 0.000 0.370 451 R C -0.600 175.169 176.300 -0.885 0.000 1.168 451 R CA -0.100 55.656 56.100 -0.574 0.000 1.058 451 R CB 0.244 30.176 30.300 -0.613 0.000 1.419 451 R HN 0.285 nan 8.270 nan 0.000 0.580 452 S N 0.708 115.653 115.700 -1.260 0.000 2.546 452 S HA -0.073 4.390 4.470 -0.011 0.000 0.290 452 S C 0.100 173.869 174.600 -1.384 0.000 1.262 452 S CA 0.036 56.962 58.200 -2.122 0.000 1.083 452 S CB -0.057 62.019 63.200 -1.873 0.000 0.859 452 S HN 0.576 nan 8.310 nan 0.000 0.495 453 W N 0.961 121.482 121.300 -1.299 0.000 3.834 453 W HA -0.264 4.390 4.660 -0.011 0.000 0.320 453 W C 0.632 176.955 176.519 -0.326 0.000 1.201 453 W CA 0.062 57.122 57.345 -0.475 0.000 0.701 453 W CB -2.158 27.130 29.460 -0.286 0.000 2.264 453 W HN 0.623 nan 8.180 nan 0.000 1.413 454 M N -0.890 118.505 119.600 -0.343 0.000 2.347 454 M HA 0.357 4.830 4.480 -0.011 0.000 0.324 454 M C 1.240 177.226 176.300 -0.524 0.000 1.028 454 M CA 0.282 55.369 55.300 -0.355 0.000 0.988 454 M CB 0.384 32.584 32.600 -0.668 0.000 1.528 454 M HN 0.106 nan 8.290 nan 0.000 0.550 455 A N -0.034 122.449 122.820 -0.563 0.000 2.313 455 A HA 0.531 4.844 4.320 -0.011 0.000 0.261 455 A C 0.021 177.086 177.584 -0.866 0.000 1.090 455 A CA -0.141 51.220 52.037 -1.126 0.000 0.807 455 A CB -0.177 17.879 19.000 -1.574 0.000 1.055 455 A HN 0.525 nan 8.150 nan 0.000 0.492 456 F N -1.104 118.070 119.950 -1.292 0.000 3.093 456 F HA -0.172 4.348 4.527 -0.011 0.000 0.287 456 F C 0.557 176.574 175.800 0.361 0.000 0.882 456 F CA 1.146 58.842 58.000 -0.507 0.000 1.063 456 F CB -2.593 36.297 39.000 -0.183 0.000 1.097 456 F HN 0.493 nan 8.300 nan 0.000 0.604 457 T N -0.996 113.898 114.554 0.566 0.000 2.861 457 T HA 0.711 5.055 4.350 -0.011 0.000 0.287 457 T C 0.647 175.815 174.700 0.781 0.000 1.003 457 T CA -0.390 62.075 62.100 0.607 0.000 0.977 457 T CB 2.877 72.102 68.868 0.596 0.000 0.996 457 T HN -0.133 nan 8.240 nan 0.000 0.448 458 V N 0.753 120.945 119.914 0.462 0.000 2.939 458 V HA 0.559 4.672 4.120 -0.011 0.000 0.228 458 V C 0.986 177.183 176.094 0.171 0.000 1.162 458 V CA 0.243 62.748 62.300 0.341 0.000 1.222 458 V CB -0.315 31.606 31.823 0.163 0.000 1.053 458 V HN 0.945 nan 8.190 nan 0.000 0.504 459 A N -0.587 122.255 122.820 0.035 0.000 2.312 459 A HA 0.499 4.812 4.320 -0.011 0.000 0.328 459 A C -0.176 177.259 177.584 -0.249 0.000 1.158 459 A CA -0.366 51.615 52.037 -0.094 0.000 0.821 459 A CB 0.134 19.090 19.000 -0.073 0.000 1.170 459 A HN 0.525 nan 8.150 nan 0.000 0.490 460 H N 1.672 120.356 119.070 -0.643 0.000 3.070 460 H HA 0.168 4.718 4.556 -0.011 0.000 0.313 460 H C 1.207 176.221 175.328 -0.524 0.000 0.997 460 H CA 1.405 56.909 56.048 -0.906 0.000 1.438 460 H CB 0.375 29.198 29.762 -1.565 0.000 1.455 460 H HN 1.366 nan 8.280 nan 0.000 0.575 461 A N 4.787 127.153 122.820 -0.758 0.000 2.771 461 A HA -0.207 4.106 4.320 -0.011 0.000 0.294 461 A C 0.239 177.628 177.584 -0.324 0.000 1.500 461 A CA 1.133 52.879 52.037 -0.484 0.000 0.829 461 A CB -1.926 16.825 19.000 -0.415 0.000 0.998 461 A HN 0.685 nan 8.150 nan 0.000 0.526 462 L N 0.386 121.411 121.223 -0.330 0.000 2.594 462 L HA 0.302 4.635 4.340 -0.011 0.000 0.245 462 L C -2.024 174.707 176.870 -0.232 0.000 1.460 462 L CA -1.590 53.116 54.840 -0.223 0.000 0.865 462 L CB 1.242 43.211 42.059 -0.150 0.000 1.131 462 L HN 0.250 nan 8.230 nan 0.000 0.506 463 P HA 0.231 nan 4.420 nan 0.000 0.272 463 P C -1.060 176.192 177.300 -0.079 0.000 1.223 463 P CA -0.119 62.841 63.100 -0.233 0.000 0.784 463 P CB 1.213 32.746 31.700 -0.279 0.000 0.923 464 N N -0.075 118.630 118.700 0.008 0.000 3.387 464 N HA 0.192 4.925 4.740 -0.011 0.000 0.322 464 N C 0.760 176.313 175.510 0.071 0.000 1.588 464 N CA -0.923 52.118 53.050 -0.015 0.000 0.778 464 N CB 0.476 38.949 38.487 -0.023 0.000 1.883 464 N HN 0.242 nan 8.380 nan 0.000 0.628 465 K N -0.828 119.586 120.400 0.023 0.000 2.103 465 K HA -0.169 4.144 4.320 -0.011 0.000 0.207 465 K C 0.996 177.759 176.600 0.272 0.000 1.048 465 K CA 1.822 58.172 56.287 0.106 0.000 0.930 465 K CB -0.063 32.463 32.500 0.043 0.000 0.716 465 K HN 0.507 nan 8.250 nan 0.000 0.444 466 Q N -0.642 119.256 119.800 0.163 0.000 2.331 466 Q HA -0.023 4.310 4.340 -0.011 0.000 0.203 466 Q C 1.710 177.850 176.000 0.234 0.000 0.944 466 Q CA 1.550 57.440 55.803 0.144 0.000 0.892 466 Q CB 0.588 29.334 28.738 0.012 0.000 0.983 466 Q HN 0.583 nan 8.270 nan 0.000 0.482 467 T N -3.324 111.401 114.554 0.285 0.000 2.990 467 T HA -0.012 4.331 4.350 -0.011 0.000 0.249 467 T C 1.676 176.580 174.700 0.341 0.000 1.039 467 T CA 0.095 62.461 62.100 0.444 0.000 1.036 467 T CB -0.419 68.733 68.868 0.473 0.000 0.994 467 T HN 0.411 nan 8.240 nan 0.000 0.489 468 Y N 1.978 122.335 120.300 0.095 0.000 2.352 468 Y HA 0.178 4.721 4.550 -0.012 0.000 0.292 468 Y C 2.181 178.075 175.900 -0.010 0.000 1.136 468 Y CA 0.677 58.823 58.100 0.077 0.000 1.227 468 Y CB -0.663 37.822 38.460 0.041 0.000 0.991 468 Y HN 0.146 nan 8.280 nan 0.000 0.545 469 S N -0.071 115.107 115.700 -0.870 0.000 2.442 469 S HA -0.112 4.351 4.470 -0.011 0.000 0.236 469 S C 0.855 174.947 174.600 -0.847 0.000 1.007 469 S CA 1.433 59.058 58.200 -0.957 0.000 0.965 469 S CB -0.415 62.144 63.200 -1.069 0.000 0.773 469 S HN 0.625 nan 8.310 nan 0.000 0.504 470 Y N -1.841 118.251 120.300 -0.347 0.000 2.609 470 Y HA 0.291 4.833 4.550 -0.012 0.000 0.281 470 Y C 1.908 177.447 175.900 -0.601 0.000 1.132 470 Y CA -0.976 56.660 58.100 -0.774 0.000 1.264 470 Y CB -0.992 36.631 38.460 -1.395 0.000 1.325 470 Y HN 0.165 nan 8.280 nan 0.000 0.514 471 Y N 1.186 121.410 120.300 -0.127 0.000 2.193 471 Y HA -0.213 4.330 4.550 -0.011 0.000 0.285 471 Y C 2.480 178.414 175.900 0.056 0.000 1.166 471 Y CA 1.729 59.882 58.100 0.089 0.000 1.181 471 Y CB -0.689 37.865 38.460 0.158 0.000 0.976 471 Y HN 0.137 nan 8.280 nan 0.000 0.520 472 G N 0.144 109.003 108.800 0.099 0.000 2.475 472 G HA2 -0.286 3.667 3.960 -0.011 0.000 0.220 472 G HA3 -0.286 3.667 3.960 -0.011 0.000 0.220 472 G C 1.715 176.625 174.900 0.017 0.000 1.125 472 G CA 1.330 46.480 45.100 0.083 0.000 0.755 472 G HN 0.522 nan 8.290 nan 0.000 0.565 473 I N -0.187 120.352 120.570 -0.052 0.000 2.127 473 I HA -0.173 3.990 4.170 -0.011 0.000 0.241 473 I C 2.591 178.704 176.117 -0.005 0.000 1.075 473 I CA 0.648 61.929 61.300 -0.031 0.000 1.334 473 I CB -0.273 37.702 38.000 -0.043 0.000 1.040 473 I HN 0.089 nan 8.210 nan 0.000 0.405 474 L N 0.418 121.625 121.223 -0.026 0.000 2.046 474 L HA -0.208 4.125 4.340 -0.011 0.000 0.208 474 L C 2.507 179.365 176.870 -0.020 0.000 1.077 474 L CA 1.750 56.608 54.840 0.030 0.000 0.747 474 L CB -1.000 41.032 42.059 -0.044 0.000 0.896 474 L HN 0.200 nan 8.230 nan 0.000 0.432 475 E N -0.678 119.359 120.200 -0.271 0.000 2.077 475 E HA -0.151 4.192 4.350 -0.011 0.000 0.193 475 E C 2.290 178.712 176.600 -0.298 0.000 0.989 475 E CA 1.535 57.694 56.400 -0.401 0.000 0.800 475 E CB -0.090 29.271 29.700 -0.566 0.000 0.746 475 E HN 0.368 nan 8.360 nan 0.000 0.452 476 S N -0.011 115.683 115.700 -0.011 0.000 2.356 476 S HA -0.119 4.345 4.470 -0.011 0.000 0.223 476 S C 1.938 176.592 174.600 0.090 0.000 1.032 476 S CA 1.241 59.541 58.200 0.165 0.000 1.005 476 S CB -0.346 62.966 63.200 0.187 0.000 0.867 476 S HN 0.260 nan 8.310 nan 0.000 0.449 477 L N 1.990 123.270 121.223 0.094 0.000 2.201 477 L HA -0.094 4.239 4.340 -0.011 0.000 0.212 477 L C 2.684 179.666 176.870 0.188 0.000 1.105 477 L CA 1.182 56.109 54.840 0.145 0.000 0.775 477 L CB -0.790 41.354 42.059 0.141 0.000 0.913 477 L HN 0.420 nan 8.230 nan 0.000 0.440 478 S N -0.400 115.358 115.700 0.097 0.000 2.400 478 S HA -0.123 4.340 4.470 -0.011 0.000 0.232 478 S C 1.648 176.147 174.600 -0.168 0.000 1.025 478 S CA 1.139 59.217 58.200 -0.204 0.000 0.993 478 S CB -0.557 62.391 63.200 -0.420 0.000 0.808 478 S HN 0.437 nan 8.310 nan 0.000 0.478 479 G N 0.259 109.009 108.800 -0.083 0.000 3.651 479 G HA2 0.475 4.428 3.960 -0.011 0.000 0.279 479 G HA3 0.475 4.428 3.960 -0.011 0.000 0.279 479 G C -0.152 174.746 174.900 -0.004 0.000 1.024 479 G CA -0.541 44.522 45.100 -0.062 0.000 0.813 479 G HN 0.473 nan 8.290 nan 0.000 0.518 480 M N 1.301 120.922 119.600 0.034 0.000 2.314 480 M HA 0.350 4.823 4.480 -0.011 0.000 0.342 480 M C 1.227 177.557 176.300 0.051 0.000 1.171 480 M CA -0.883 54.454 55.300 0.061 0.000 1.098 480 M CB 0.971 33.622 32.600 0.085 0.000 1.559 480 M HN 0.187 nan 8.290 nan 0.000 0.459 481 R N 2.980 123.519 120.500 0.065 0.000 4.160 481 R HA 0.221 4.554 4.340 -0.011 0.000 0.216 481 R C -0.802 175.540 176.300 0.071 0.000 2.009 481 R CA -0.276 55.857 56.100 0.056 0.000 1.664 481 R CB -1.519 28.826 30.300 0.074 0.000 1.216 481 R HN 0.459 nan 8.270 nan 0.000 0.648 482 V N -2.582 117.358 119.914 0.044 0.000 3.074 482 V HA 0.460 4.573 4.120 -0.011 0.000 0.314 482 V C -0.722 175.380 176.094 0.014 0.000 1.117 482 V CA -1.497 60.808 62.300 0.008 0.000 1.014 482 V CB 2.109 33.910 31.823 -0.036 0.000 1.057 482 V HN 0.166 nan 8.190 nan 0.000 0.438 483 N N 1.360 120.059 118.700 -0.001 0.000 2.422 483 N HA 0.476 5.209 4.740 -0.011 0.000 0.264 483 N C -0.701 174.799 175.510 -0.018 0.000 1.063 483 N CA -0.114 52.943 53.050 0.013 0.000 0.959 483 N CB 1.704 40.196 38.487 0.008 0.000 1.087 483 N HN 0.644 nan 8.380 nan 0.000 0.483 484 V N 3.277 123.197 119.914 0.010 0.000 2.398 484 V HA 0.474 4.587 4.120 -0.011 0.000 0.286 484 V C 0.509 176.500 176.094 -0.172 0.000 1.026 484 V CA -0.801 61.418 62.300 -0.135 0.000 0.868 484 V CB 1.132 32.874 31.823 -0.136 0.000 0.982 484 V HN 0.664 nan 8.190 nan 0.000 0.443 485 R N 3.287 123.594 120.500 -0.321 0.000 2.892 485 R HA 0.767 5.100 4.340 -0.011 0.000 0.265 485 R C -1.837 174.126 176.300 -0.561 0.000 1.025 485 R CA -0.737 55.215 56.100 -0.248 0.000 0.982 485 R CB 1.833 32.068 30.300 -0.108 0.000 1.185 485 R HN 0.385 nan 8.270 nan 0.000 0.484 486 F N 2.129 121.918 119.950 -0.268 0.000 2.477 486 F HA 0.501 5.021 4.527 -0.011 0.000 0.335 486 F C 0.068 175.731 175.800 -0.228 0.000 1.130 486 F CA -0.877 56.940 58.000 -0.306 0.000 0.948 486 F CB 1.868 40.631 39.000 -0.394 0.000 1.154 486 F HN 0.451 nan 8.300 nan 0.000 0.439 487 I N -0.140 120.360 120.570 -0.117 0.000 2.785 487 I HA 0.816 4.980 4.170 -0.011 0.000 0.302 487 I C -0.445 175.536 176.117 -0.226 0.000 1.069 487 I CA -0.882 60.332 61.300 -0.143 0.000 1.045 487 I CB 2.268 40.163 38.000 -0.174 0.000 1.236 487 I HN 0.480 nan 8.210 nan 0.000 0.429 488 S N 2.613 118.186 115.700 -0.211 0.000 2.651 488 S HA 0.512 4.975 4.470 -0.011 0.000 0.291 488 S C 0.514 174.915 174.600 -0.332 0.000 1.141 488 S CA -0.587 57.435 58.200 -0.297 0.000 1.027 488 S CB 1.205 64.317 63.200 -0.147 0.000 1.043 488 S HN 0.586 nan 8.310 nan 0.000 0.530 489 F N 1.167 120.995 119.950 -0.204 0.000 2.161 489 F HA -0.082 4.439 4.527 -0.011 0.000 0.300 489 F C 2.195 177.855 175.800 -0.233 0.000 1.089 489 F CA 1.432 59.270 58.000 -0.269 0.000 1.282 489 F CB -0.762 38.019 39.000 -0.364 0.000 1.010 489 F HN 0.546 nan 8.300 nan 0.000 0.485 490 D N 0.251 120.632 120.400 -0.032 0.000 2.123 490 D HA -0.169 4.464 4.640 -0.011 0.000 0.196 490 D C 1.776 178.009 176.300 -0.112 0.000 0.992 490 D CA 1.536 55.486 54.000 -0.083 0.000 0.833 490 D CB -0.482 40.272 40.800 -0.076 0.000 0.954 490 D HN 0.290 nan 8.370 nan 0.000 0.455 491 D N 0.575 120.922 120.400 -0.088 0.000 2.104 491 D HA -0.111 4.523 4.640 -0.011 0.000 0.194 491 D C 2.381 178.632 176.300 -0.081 0.000 0.994 491 D CA 0.537 54.507 54.000 -0.050 0.000 0.830 491 D CB -0.340 40.449 40.800 -0.018 0.000 0.959 491 D HN 0.093 nan 8.370 nan 0.000 0.452 492 V N 1.262 121.115 119.914 -0.101 0.000 2.295 492 V HA -0.209 3.905 4.120 -0.011 0.000 0.246 492 V C 2.702 178.732 176.094 -0.107 0.000 1.049 492 V CA 1.138 63.376 62.300 -0.104 0.000 1.024 492 V CB -0.500 31.255 31.823 -0.113 0.000 0.648 492 V HN 0.178 nan 8.190 nan 0.000 0.447 493 L N 0.013 121.163 121.223 -0.123 0.000 2.083 493 L HA -0.150 4.183 4.340 -0.011 0.000 0.209 493 L C 2.635 179.406 176.870 -0.165 0.000 1.083 493 L CA 1.583 56.343 54.840 -0.134 0.000 0.752 493 L CB -0.706 41.269 42.059 -0.139 0.000 0.899 493 L HN 0.372 nan 8.230 nan 0.000 0.433 494 A N -1.394 121.270 122.820 -0.260 0.000 1.930 494 A HA -0.115 4.198 4.320 -0.011 0.000 0.215 494 A C 1.692 179.003 177.584 -0.456 0.000 1.176 494 A CA 1.089 52.864 52.037 -0.438 0.000 0.632 494 A CB -0.256 18.324 19.000 -0.700 0.000 0.819 494 A HN 0.469 nan 8.150 nan 0.000 0.445 495 H N -1.778 117.265 119.070 -0.045 0.000 3.233 495 H HA 0.342 4.891 4.556 -0.011 0.000 0.263 495 H C 1.292 176.592 175.328 -0.047 0.000 1.168 495 H CA 0.076 56.100 56.048 -0.040 0.000 1.159 495 H CB -0.173 29.564 29.762 -0.041 0.000 1.593 495 H HN 0.616 nan 8.280 nan 0.000 0.580 496 G N 1.693 110.506 108.800 0.021 0.000 2.692 496 G HA2 -0.293 3.661 3.960 -0.011 0.000 0.248 496 G HA3 -0.293 3.661 3.960 -0.011 0.000 0.248 496 G C -0.242 174.618 174.900 -0.066 0.000 1.340 496 G CA -0.158 44.932 45.100 -0.018 0.000 0.896 496 G HN 0.228 nan 8.290 nan 0.000 0.570 497 I N 1.260 121.744 120.570 -0.143 0.000 2.321 497 I HA 0.235 4.398 4.170 -0.011 0.000 0.291 497 I C -0.055 175.963 176.117 -0.164 0.000 0.998 497 I CA -0.698 60.432 61.300 -0.284 0.000 1.227 497 I CB 1.356 38.922 38.000 -0.723 0.000 1.368 497 I HN 0.337 nan 8.210 nan 0.000 0.466 498 D N 3.701 124.029 120.400 -0.120 0.000 2.472 498 D HA -0.044 4.590 4.640 -0.011 0.000 0.237 498 D C 1.306 177.618 176.300 0.019 0.000 1.141 498 D CA 0.267 54.242 54.000 -0.041 0.000 0.875 498 D CB 1.030 41.804 40.800 -0.043 0.000 1.192 498 D HN 0.639 nan 8.370 nan 0.000 0.450 499 S N 0.926 116.662 115.700 0.061 0.000 2.515 499 S HA -0.165 4.298 4.470 -0.011 0.000 0.231 499 S C 1.031 175.703 174.600 0.121 0.000 0.987 499 S CA 0.618 58.890 58.200 0.120 0.000 0.936 499 S CB 0.034 63.288 63.200 0.088 0.000 0.766 499 S HN 0.534 nan 8.310 nan 0.000 0.528 500 D N 1.108 121.556 120.400 0.079 0.000 2.348 500 D HA 0.091 4.725 4.640 -0.011 0.000 0.211 500 D C 0.542 176.893 176.300 0.085 0.000 0.998 500 D CA -0.270 53.772 54.000 0.070 0.000 0.873 500 D CB -0.555 40.268 40.800 0.038 0.000 0.925 500 D HN 0.463 nan 8.370 nan 0.000 0.524 501 I N 1.822 122.454 120.570 0.103 0.000 2.598 501 I HA -0.045 4.118 4.170 -0.011 0.000 0.284 501 I C 0.970 177.245 176.117 0.264 0.000 1.140 501 I CA 0.013 61.381 61.300 0.113 0.000 1.420 501 I CB 0.837 38.841 38.000 0.007 0.000 1.387 501 I HN -0.174 nan 8.210 nan 0.000 0.553 502 D N 4.926 125.431 120.400 0.174 0.000 2.262 502 D HA 0.091 4.724 4.640 -0.011 0.000 0.212 502 D C 0.102 176.548 176.300 0.244 0.000 0.964 502 D CA 1.227 55.328 54.000 0.168 0.000 0.875 502 D CB 0.781 41.601 40.800 0.034 0.000 0.996 502 D HN 0.201 nan 8.370 nan 0.000 0.497 503 V N 1.433 121.473 119.914 0.210 0.000 2.808 503 V HA 0.361 4.474 4.120 -0.011 0.000 0.308 503 V C -0.459 175.715 176.094 0.134 0.000 1.099 503 V CA -0.722 61.702 62.300 0.208 0.000 0.920 503 V CB 2.866 34.710 31.823 0.034 0.000 1.014 503 V HN -0.107 nan 8.190 nan 0.000 0.425 504 I N 4.779 125.455 120.570 0.178 0.000 2.377 504 I HA 0.516 4.679 4.170 -0.011 0.000 0.293 504 I C -0.657 175.351 176.117 -0.182 0.000 0.987 504 I CA -0.378 60.909 61.300 -0.021 0.000 1.185 504 I CB 1.751 39.769 38.000 0.029 0.000 1.341 504 I HN 0.432 nan 8.210 nan 0.000 0.455 505 I N 6.499 126.922 120.570 -0.245 0.000 2.378 505 I HA 0.315 4.478 4.170 -0.011 0.000 0.291 505 I C -0.242 175.712 176.117 -0.272 0.000 0.992 505 I CA -0.386 60.725 61.300 -0.315 0.000 1.154 505 I CB 1.294 39.159 38.000 -0.226 0.000 1.315 505 I HN 0.582 nan 8.210 nan 0.000 0.448 506 N N 4.791 123.282 118.700 -0.348 0.000 2.314 506 N HA 0.724 5.458 4.740 -0.011 0.000 0.294 506 N C -1.043 174.420 175.510 -0.079 0.000 1.029 506 N CA -0.265 52.734 53.050 -0.084 0.000 0.845 506 N CB 2.541 41.135 38.487 0.178 0.000 1.321 506 N HN 0.809 nan 8.380 nan 0.000 0.481 507 G N 0.461 109.292 108.800 0.052 0.000 2.720 507 G HA2 0.700 4.653 3.960 -0.011 0.000 0.295 507 G HA3 0.700 4.653 3.960 -0.011 0.000 0.295 507 G C -0.708 174.186 174.900 -0.010 0.000 1.437 507 G CA -0.070 45.032 45.100 0.004 0.000 0.886 507 G HN 0.859 nan 8.290 nan 0.000 0.509 508 G N 0.065 108.569 108.800 -0.494 0.000 2.331 508 G HA2 0.400 4.353 3.960 -0.011 0.000 0.402 508 G HA3 0.400 4.353 3.960 -0.011 0.000 0.402 508 G C -3.482 171.163 174.900 -0.425 0.000 1.275 508 G CA -0.347 44.203 45.100 -0.918 0.000 1.003 508 G HN 0.718 nan 8.290 nan 0.000 0.500 509 P HA 0.462 nan 4.420 nan 0.000 0.276 509 P C 0.547 177.962 177.300 0.190 0.000 1.252 509 P CA -0.529 62.694 63.100 0.205 0.000 0.802 509 P CB 1.207 33.120 31.700 0.356 0.000 1.035 510 V N 1.849 121.900 119.914 0.228 0.000 2.928 510 V HA -0.059 4.055 4.120 -0.011 0.000 0.307 510 V C 0.301 176.495 176.094 0.166 0.000 1.105 510 V CA 1.035 63.438 62.300 0.172 0.000 1.223 510 V CB -0.913 31.080 31.823 0.283 0.000 0.930 510 V HN 0.693 nan 8.190 nan 0.000 0.499 511 D N 2.212 122.673 120.400 0.102 0.000 2.870 511 D HA -0.129 4.504 4.640 -0.011 0.000 0.228 511 D C 0.221 176.580 176.300 0.097 0.000 1.147 511 D CA 1.459 55.509 54.000 0.083 0.000 0.757 511 D CB -1.356 39.503 40.800 0.099 0.000 1.091 511 D HN 1.131 nan 8.370 nan 0.000 0.429 512 T N -5.069 109.544 114.554 0.098 0.000 2.924 512 T HA 0.754 5.097 4.350 -0.011 0.000 0.291 512 T C 1.476 176.094 174.700 -0.137 0.000 1.045 512 T CA -0.257 61.884 62.100 0.067 0.000 1.015 512 T CB 2.124 71.149 68.868 0.261 0.000 1.103 512 T HN -0.039 nan 8.240 nan 0.000 0.496 513 A N 0.533 123.114 122.820 -0.398 0.000 2.084 513 A HA 0.058 4.371 4.320 -0.011 0.000 0.221 513 A C 1.529 178.788 177.584 -0.543 0.000 1.161 513 A CA 1.310 52.980 52.037 -0.611 0.000 0.653 513 A CB -1.143 17.330 19.000 -0.878 0.000 0.802 513 A HN 0.776 nan 8.150 nan 0.000 0.457 514 F N 0.179 120.074 119.950 -0.091 0.000 2.335 514 F HA -0.009 4.511 4.527 -0.012 0.000 0.296 514 F C 2.743 178.571 175.800 0.046 0.000 1.091 514 F CA 1.406 59.316 58.000 -0.149 0.000 1.399 514 F CB -1.000 37.764 39.000 -0.394 0.000 1.067 514 F HN 0.317 nan 8.300 nan 0.000 0.520 515 T N -3.470 111.221 114.554 0.228 0.000 2.866 515 T HA 0.448 4.792 4.350 -0.011 0.000 0.250 515 T C 1.931 176.945 174.700 0.522 0.000 1.033 515 T CA 1.073 63.356 62.100 0.304 0.000 1.145 515 T CB -0.195 68.754 68.868 0.136 0.000 0.866 515 T HN 0.350 nan 8.240 nan 0.000 0.434 516 G N 0.116 109.067 108.800 0.252 0.000 2.672 516 G HA2 0.367 4.320 3.960 -0.011 0.000 0.197 516 G HA3 0.367 4.320 3.960 -0.011 0.000 0.197 516 G C 0.950 175.734 174.900 -0.192 0.000 0.995 516 G CA 0.401 45.506 45.100 0.008 0.000 0.754 516 G HN 1.461 nan 8.290 nan 0.000 0.505 517 G N 0.728 109.509 108.800 -0.032 0.000 2.547 517 G HA2 -0.261 3.693 3.960 -0.011 0.000 0.271 517 G HA3 -0.261 3.693 3.960 -0.011 0.000 0.271 517 G C 0.447 175.266 174.900 -0.135 0.000 1.209 517 G CA 0.845 45.898 45.100 -0.078 0.000 0.959 517 G HN 0.592 nan 8.290 nan 0.000 0.563 518 D N 0.119 120.405 120.400 -0.190 0.000 2.371 518 D HA 0.073 4.706 4.640 -0.011 0.000 0.221 518 D C 2.389 178.478 176.300 -0.351 0.000 0.986 518 D CA 0.874 54.733 54.000 -0.235 0.000 0.899 518 D CB 0.033 40.715 40.800 -0.196 0.000 0.902 518 D HN 0.359 nan 8.370 nan 0.000 0.530 519 V N -0.502 119.123 119.914 -0.482 0.000 2.546 519 V HA -0.224 3.889 4.120 -0.011 0.000 0.254 519 V C 1.364 177.011 176.094 -0.746 0.000 1.076 519 V CA 1.445 63.322 62.300 -0.705 0.000 1.087 519 V CB -0.411 30.738 31.823 -1.124 0.000 0.674 519 V HN 0.345 nan 8.190 nan 0.000 0.470 520 W N 0.024 121.036 121.300 -0.481 0.000 2.961 520 W HA -0.020 4.634 4.660 -0.010 0.000 0.240 520 W C 2.313 178.592 176.519 -0.400 0.000 1.305 520 W CA 0.924 58.038 57.345 -0.384 0.000 1.465 520 W CB -0.298 28.976 29.460 -0.310 0.000 1.135 520 W HN 0.434 nan 8.180 nan 0.000 0.688 521 T N -3.280 111.038 114.554 -0.393 0.000 3.081 521 T HA 0.020 4.363 4.350 -0.011 0.000 0.250 521 T C 0.751 175.170 174.700 -0.468 0.000 1.100 521 T CA -0.216 61.414 62.100 -0.783 0.000 1.038 521 T CB -0.284 67.818 68.868 -1.276 0.000 0.962 521 T HN -0.141 nan 8.240 nan 0.000 0.516 522 N N 3.461 121.959 118.700 -0.337 0.000 2.416 522 N HA 0.151 4.884 4.740 -0.011 0.000 0.265 522 N C -1.615 173.804 175.510 -0.152 0.000 1.195 522 N CA -2.104 50.804 53.050 -0.237 0.000 0.943 522 N CB 1.592 39.913 38.487 -0.277 0.000 1.115 522 N HN 0.094 nan 8.380 nan 0.000 0.481 523 P HA -0.135 nan 4.420 nan 0.000 0.220 523 P C 1.062 178.347 177.300 -0.025 0.000 1.148 523 P CA 1.060 64.150 63.100 -0.015 0.000 0.803 523 P CB 0.369 32.082 31.700 0.021 0.000 0.782 524 K N -0.182 120.185 120.400 -0.055 0.000 2.147 524 K HA -0.151 4.162 4.320 -0.011 0.000 0.205 524 K C 2.001 178.560 176.600 -0.069 0.000 1.049 524 K CA 0.897 57.151 56.287 -0.054 0.000 0.936 524 K CB -0.602 31.855 32.500 -0.071 0.000 0.722 524 K HN -0.027 nan 8.250 nan 0.000 0.446 525 L N 0.571 121.719 121.223 -0.125 0.000 2.027 525 L HA -0.093 4.240 4.340 -0.011 0.000 0.206 525 L C 1.960 178.802 176.870 -0.046 0.000 1.074 525 L CA 1.383 56.123 54.840 -0.166 0.000 0.745 525 L CB -0.452 41.369 42.059 -0.396 0.000 0.898 525 L HN -0.011 nan 8.230 nan 0.000 0.433 526 V N 0.004 119.928 119.914 0.016 0.000 2.343 526 V HA -0.279 3.834 4.120 -0.011 0.000 0.247 526 V C 2.530 178.676 176.094 0.086 0.000 1.051 526 V CA 2.015 64.383 62.300 0.114 0.000 1.036 526 V CB -0.566 31.331 31.823 0.124 0.000 0.654 526 V HN 0.518 nan 8.190 nan 0.000 0.451 527 E N -0.256 119.979 120.200 0.059 0.000 2.058 527 E HA -0.207 4.136 4.350 -0.011 0.000 0.194 527 E C 2.279 178.928 176.600 0.082 0.000 0.997 527 E CA 1.959 58.398 56.400 0.066 0.000 0.801 527 E CB -0.352 29.373 29.700 0.042 0.000 0.746 527 E HN 0.572 nan 8.360 nan 0.000 0.450 528 T N 0.627 115.216 114.554 0.058 0.000 2.708 528 T HA -0.127 4.216 4.350 -0.011 0.000 0.266 528 T C 2.093 176.873 174.700 0.133 0.000 1.037 528 T CA 1.161 63.302 62.100 0.068 0.000 1.146 528 T CB -0.210 68.662 68.868 0.007 0.000 0.865 528 T HN -0.031 nan 8.240 nan 0.000 0.435 529 V N 1.282 121.269 119.914 0.122 0.000 2.358 529 V HA -0.128 3.985 4.120 -0.011 0.000 0.246 529 V C 2.630 178.860 176.094 0.228 0.000 1.047 529 V CA 1.541 63.950 62.300 0.181 0.000 1.035 529 V CB -0.542 31.347 31.823 0.111 0.000 0.658 529 V HN 0.353 nan 8.190 nan 0.000 0.452 530 R N 0.154 120.748 120.500 0.157 0.000 2.073 530 R HA -0.130 4.203 4.340 -0.011 0.000 0.234 530 R C 2.444 178.918 176.300 0.290 0.000 1.134 530 R CA 1.553 57.787 56.100 0.223 0.000 0.952 530 R CB -0.615 29.819 30.300 0.223 0.000 0.850 530 R HN 0.532 nan 8.270 nan 0.000 0.433 531 A N 0.258 123.211 122.820 0.221 0.000 1.902 531 A HA -0.203 4.111 4.320 -0.011 0.000 0.217 531 A C 1.884 179.596 177.584 0.213 0.000 1.181 531 A CA 1.186 53.331 52.037 0.180 0.000 0.623 531 A CB -0.801 18.284 19.000 0.142 0.000 0.818 531 A HN 0.609 nan 8.150 nan 0.000 0.443 532 W N 0.681 122.029 121.300 0.079 0.000 2.355 532 W HA -0.167 4.486 4.660 -0.012 0.000 0.309 532 W C 1.946 178.525 176.519 0.101 0.000 1.206 532 W CA 2.271 59.661 57.345 0.075 0.000 1.284 532 W CB -0.387 29.113 29.460 0.067 0.000 1.145 532 W HN 0.094 nan 8.180 nan 0.000 0.502 533 V N 1.125 121.105 119.914 0.110 0.000 2.358 533 V HA -0.275 3.838 4.120 -0.011 0.000 0.246 533 V C 2.382 178.490 176.094 0.024 0.000 1.047 533 V CA 2.269 64.526 62.300 -0.072 0.000 1.035 533 V CB -1.062 30.829 31.823 0.113 0.000 0.658 533 V HN 0.062 nan 8.190 nan 0.000 0.452 534 R N 1.089 121.684 120.500 0.160 0.000 2.127 534 R HA -0.113 4.220 4.340 -0.011 0.000 0.238 534 R C 2.059 178.329 176.300 -0.050 0.000 1.134 534 R CA 1.527 57.650 56.100 0.038 0.000 0.975 534 R CB -0.947 29.347 30.300 -0.010 0.000 0.865 534 R HN 0.528 nan 8.270 nan 0.000 0.447 535 G N -2.605 106.148 108.800 -0.079 0.000 2.985 535 G HA2 0.246 4.199 3.960 -0.011 0.000 0.209 535 G HA3 0.246 4.199 3.960 -0.011 0.000 0.209 535 G C 0.717 175.512 174.900 -0.174 0.000 1.165 535 G CA 0.400 45.437 45.100 -0.106 0.000 0.776 535 G HN 0.536 nan 8.290 nan 0.000 0.541 536 G N -1.608 107.048 108.800 -0.240 0.000 2.370 536 G HA2 0.073 4.026 3.960 -0.011 0.000 0.174 536 G HA3 0.073 4.026 3.960 -0.011 0.000 0.174 536 G C 0.727 175.376 174.900 -0.419 0.000 1.002 536 G CA 0.102 45.056 45.100 -0.243 0.000 0.730 536 G HN 0.819 nan 8.290 nan 0.000 0.497 537 G N 0.014 108.293 108.800 -0.868 0.000 2.684 537 G HA2 0.659 4.613 3.960 -0.011 0.000 0.255 537 G HA3 0.659 4.613 3.960 -0.011 0.000 0.255 537 G C 0.174 174.641 174.900 -0.721 0.000 1.219 537 G CA 0.622 44.747 45.100 -1.626 0.000 0.901 537 G HN 1.565 nan 8.290 nan 0.000 0.548 538 A N -0.510 122.057 122.820 -0.423 0.000 2.374 538 A HA 0.664 4.978 4.320 -0.011 0.000 0.305 538 A C -1.518 176.275 177.584 0.349 0.000 1.053 538 A CA -0.558 51.501 52.037 0.036 0.000 0.726 538 A CB 1.295 20.313 19.000 0.031 0.000 1.229 538 A HN 0.877 nan 8.150 nan 0.000 0.431 539 F N 3.095 123.124 119.950 0.131 0.000 2.507 539 F HA 0.624 5.144 4.527 -0.012 0.000 0.328 539 F C -1.090 174.744 175.800 0.056 0.000 1.136 539 F CA -0.553 57.533 58.000 0.143 0.000 0.930 539 F CB 1.879 40.955 39.000 0.127 0.000 1.166 539 F HN 0.350 nan 8.300 nan 0.000 0.436 540 V N 5.523 125.159 119.914 -0.463 0.000 2.378 540 V HA 0.666 4.779 4.120 -0.011 0.000 0.288 540 V C 0.150 175.886 176.094 -0.597 0.000 1.016 540 V CA -0.595 61.494 62.300 -0.351 0.000 0.840 540 V CB 1.325 33.033 31.823 -0.192 0.000 0.994 540 V HN 0.941 nan 8.190 nan 0.000 0.431 541 G N 3.672 112.252 108.800 -0.366 0.000 2.417 541 G HA2 0.623 4.577 3.960 -0.011 0.000 0.320 541 G HA3 0.623 4.577 3.960 -0.011 0.000 0.320 541 G C -1.117 173.642 174.900 -0.236 0.000 1.204 541 G CA -0.438 44.481 45.100 -0.302 0.000 0.923 541 G HN 0.531 nan 8.290 nan 0.000 0.466 542 V N 2.650 122.436 119.914 -0.214 0.000 2.409 542 V HA 0.806 4.920 4.120 -0.011 0.000 0.291 542 V C 1.080 177.156 176.094 -0.030 0.000 1.020 542 V CA 0.790 62.979 62.300 -0.185 0.000 0.848 542 V CB 0.443 32.209 31.823 -0.094 0.000 0.990 542 V HN 1.617 nan 8.190 nan 0.000 0.430 543 G N 5.163 113.956 108.800 -0.011 0.000 3.594 543 G HA2 -0.212 3.741 3.960 -0.011 0.000 0.285 543 G HA3 -0.212 3.741 3.960 -0.011 0.000 0.285 543 G C 0.124 175.179 174.900 0.257 0.000 1.551 543 G CA 0.314 45.580 45.100 0.276 0.000 1.061 543 G HN 0.688 nan 8.290 nan 0.000 0.624 544 E N 2.525 122.772 120.200 0.077 0.000 3.588 544 E HA 0.339 4.682 4.350 -0.011 0.000 0.213 544 E C -2.657 173.664 176.600 -0.466 0.000 1.168 544 E CA -1.647 54.682 56.400 -0.119 0.000 1.254 544 E CB 2.037 31.921 29.700 0.307 0.000 1.302 544 E HN 0.399 nan 8.360 nan 0.000 0.429 545 P HA -0.074 nan 4.420 nan 0.000 0.271 545 P C 0.406 177.300 177.300 -0.676 0.000 1.216 545 P CA 0.320 63.143 63.100 -0.462 0.000 0.776 545 P CB 1.116 32.645 31.700 -0.285 0.000 0.881 546 S N 0.161 115.371 115.700 -0.816 0.000 3.473 546 S HA -0.199 4.265 4.470 -0.011 0.000 0.339 546 S C 0.232 174.256 174.600 -0.960 0.000 1.148 546 S CA 0.899 58.025 58.200 -1.789 0.000 0.969 546 S CB -3.108 58.979 63.200 -1.855 0.000 0.936 546 S HN 0.771 nan 8.310 nan 0.000 0.530 547 S N 0.257 115.616 115.700 -0.569 0.000 2.548 547 S HA 0.737 5.200 4.470 -0.011 0.000 0.277 547 S C -0.014 174.353 174.600 -0.389 0.000 1.315 547 S CA -0.228 57.653 58.200 -0.532 0.000 1.050 547 S CB 1.580 64.415 63.200 -0.607 0.000 0.918 547 S HN 1.920 nan 8.310 nan 0.000 0.497 548 A N 3.743 126.315 122.820 -0.413 0.000 2.499 548 A HA 0.682 4.996 4.320 -0.011 0.000 0.280 548 A C -2.839 174.713 177.584 -0.054 0.000 1.135 548 A CA -1.630 50.315 52.037 -0.153 0.000 0.744 548 A CB 1.011 19.979 19.000 -0.054 0.000 1.213 548 A HN 0.673 nan 8.150 nan 0.000 0.434 549 P HA 0.307 nan 4.420 nan 0.000 0.275 549 P C 0.427 177.871 177.300 0.241 0.000 1.228 549 P CA 0.046 63.330 63.100 0.306 0.000 0.786 549 P CB 0.952 32.843 31.700 0.320 0.000 0.927 550 R N -0.859 119.791 120.500 0.251 0.000 3.928 550 R HA -0.280 4.054 4.340 -0.011 0.000 0.417 550 R C 1.553 177.965 176.300 0.185 0.000 0.647 550 R CA 1.521 57.729 56.100 0.180 0.000 1.610 550 R CB -2.427 27.957 30.300 0.140 0.000 2.164 550 R HN 0.412 nan 8.270 nan 0.000 0.406 551 F N 2.181 122.167 119.950 0.060 0.000 2.091 551 F HA -0.123 4.398 4.527 -0.011 0.000 0.299 551 F C 0.938 176.760 175.800 0.037 0.000 1.103 551 F CA 1.892 59.914 58.000 0.036 0.000 1.228 551 F CB 0.134 39.149 39.000 0.024 0.000 0.984 551 F HN 0.111 nan 8.300 nan 0.000 0.477 552 Q N -0.608 119.195 119.800 0.006 0.000 2.330 552 Q HA 0.188 4.522 4.340 -0.011 0.000 0.269 552 Q C 0.884 176.893 176.000 0.015 0.000 1.022 552 Q CA -0.131 55.619 55.803 -0.089 0.000 0.796 552 Q CB 1.903 30.622 28.738 -0.031 0.000 1.271 552 Q HN -0.008 nan 8.270 nan 0.000 0.450 553 T N 1.006 115.550 114.554 -0.017 0.000 2.803 553 T HA -0.129 4.215 4.350 -0.011 0.000 0.269 553 T C 1.247 175.962 174.700 0.024 0.000 1.052 553 T CA 1.722 63.828 62.100 0.011 0.000 1.136 553 T CB 0.033 68.896 68.868 -0.010 0.000 0.864 553 T HN 0.822 nan 8.240 nan 0.000 0.467 554 G N 0.077 108.887 108.800 0.018 0.000 3.453 554 G HA2 0.377 4.330 3.960 -0.011 0.000 0.263 554 G HA3 0.377 4.330 3.960 -0.011 0.000 0.263 554 G C 0.205 175.133 174.900 0.047 0.000 1.060 554 G CA -0.429 44.685 45.100 0.023 0.000 0.793 554 G HN 0.206 nan 8.290 nan 0.000 0.532 555 R N -0.515 120.027 120.500 0.070 0.000 2.518 555 R HA 0.457 4.791 4.340 -0.011 0.000 0.287 555 R C -1.004 175.391 176.300 0.158 0.000 1.135 555 R CA -0.992 55.155 56.100 0.079 0.000 0.967 555 R CB 0.323 30.659 30.300 0.060 0.000 1.212 555 R HN -0.057 nan 8.270 nan 0.000 0.422 556 F N 4.019 123.939 119.950 -0.050 0.000 2.315 556 F HA 0.434 4.956 4.527 -0.008 0.000 0.284 556 F C -0.102 175.781 175.800 0.138 0.000 1.049 556 F CA 0.233 58.236 58.000 0.005 0.000 1.323 556 F CB 0.326 39.260 39.000 -0.110 0.000 1.113 556 F HN 0.390 nan 8.300 nan 0.000 0.544 557 F N 3.125 123.034 119.950 -0.068 0.000 2.494 557 F HA 0.169 4.691 4.527 -0.008 0.000 0.369 557 F C 1.540 177.205 175.800 -0.224 0.000 1.098 557 F CA -0.850 57.006 58.000 -0.241 0.000 1.154 557 F CB 0.022 38.910 39.000 -0.187 0.000 1.103 557 F HN 0.148 nan 8.300 nan 0.000 0.549 558 Q N 2.723 122.450 119.800 -0.122 0.000 2.226 558 Q HA -0.053 4.280 4.340 -0.011 0.000 0.204 558 Q C 1.498 177.425 176.000 -0.122 0.000 0.975 558 Q CA 1.126 56.883 55.803 -0.077 0.000 0.866 558 Q CB 0.031 28.751 28.738 -0.029 0.000 0.915 558 Q HN 0.654 nan 8.270 nan 0.000 0.440 559 L N 0.175 121.235 121.223 -0.271 0.000 2.848 559 L HA 0.273 4.607 4.340 -0.011 0.000 0.240 559 L C 1.599 178.362 176.870 -0.179 0.000 1.232 559 L CA -0.210 54.449 54.840 -0.301 0.000 1.031 559 L CB -0.203 41.498 42.059 -0.597 0.000 1.338 559 L HN -0.007 nan 8.230 nan 0.000 0.509 560 A N 1.018 123.805 122.820 -0.056 0.000 1.948 560 A HA -0.260 4.053 4.320 -0.011 0.000 0.220 560 A C 2.060 179.604 177.584 -0.067 0.000 1.177 560 A CA 2.111 54.130 52.037 -0.030 0.000 0.636 560 A CB -0.316 18.644 19.000 -0.067 0.000 0.815 560 A HN 0.649 nan 8.150 nan 0.000 0.449 561 D N 0.068 120.437 120.400 -0.052 0.000 2.149 561 D HA -0.127 4.506 4.640 -0.011 0.000 0.198 561 D C 1.792 178.074 176.300 -0.030 0.000 0.990 561 D CA 1.675 55.687 54.000 0.020 0.000 0.839 561 D CB -0.859 40.013 40.800 0.120 0.000 0.948 561 D HN 0.284 nan 8.370 nan 0.000 0.460 562 V N 1.853 121.578 119.914 -0.315 0.000 2.283 562 V HA -0.153 3.961 4.120 -0.011 0.000 0.243 562 V C 2.625 178.606 176.094 -0.187 0.000 1.039 562 V CA 1.679 63.593 62.300 -0.643 0.000 1.016 562 V CB -0.529 30.833 31.823 -0.768 0.000 0.650 562 V HN 0.370 nan 8.190 nan 0.000 0.449 563 I N -1.676 118.855 120.570 -0.065 0.000 3.578 563 I HA 0.411 4.575 4.170 -0.011 0.000 0.295 563 I C 1.534 177.669 176.117 0.030 0.000 1.280 563 I CA 0.971 62.306 61.300 0.058 0.000 1.347 563 I CB -0.239 37.855 38.000 0.157 0.000 1.051 563 I HN 0.410 nan 8.210 nan 0.000 0.460 564 G N 1.628 110.416 108.800 -0.021 0.000 2.162 564 G HA2 -0.209 3.745 3.960 -0.011 0.000 0.260 564 G HA3 -0.209 3.745 3.960 -0.011 0.000 0.260 564 G C 0.036 174.839 174.900 -0.162 0.000 0.976 564 G CA 0.249 45.316 45.100 -0.054 0.000 0.655 564 G HN 0.387 nan 8.290 nan 0.000 0.533 565 V N 0.007 119.792 119.914 -0.215 0.000 2.760 565 V HA 0.759 4.872 4.120 -0.011 0.000 0.309 565 V C -0.596 175.217 176.094 -0.469 0.000 1.077 565 V CA -0.636 61.406 62.300 -0.430 0.000 0.910 565 V CB 2.140 33.645 31.823 -0.529 0.000 1.008 565 V HN 0.286 nan 8.190 nan 0.000 0.424 566 D N 1.517 121.387 120.400 -0.883 0.000 2.533 566 D HA 0.406 5.039 4.640 -0.011 0.000 0.247 566 D C -0.969 174.625 176.300 -1.177 0.000 1.056 566 D CA -0.556 52.816 54.000 -1.048 0.000 1.054 566 D CB 2.574 42.923 40.800 -0.750 0.000 1.400 566 D HN 0.655 nan 8.370 nan 0.000 0.533 567 E N 1.048 120.531 120.200 -1.195 0.000 2.134 567 E HA 0.221 4.564 4.350 -0.011 0.000 0.278 567 E C -0.870 175.540 176.600 -0.317 0.000 0.959 567 E CA -0.620 55.397 56.400 -0.639 0.000 0.783 567 E CB 1.020 30.365 29.700 -0.592 0.000 1.095 567 E HN 0.273 nan 8.360 nan 0.000 0.399 568 E N 3.529 123.667 120.200 -0.105 0.000 2.415 568 E HA -0.059 4.284 4.350 -0.011 0.000 0.263 568 E C -0.236 176.078 176.600 -0.478 0.000 0.995 568 E CA 0.327 56.591 56.400 -0.228 0.000 0.915 568 E CB 0.533 30.035 29.700 -0.330 0.000 0.951 568 E HN 0.380 nan 8.360 nan 0.000 0.449 569 R N 4.022 124.274 120.500 -0.413 0.000 2.613 569 R HA 0.097 4.430 4.340 -0.011 0.000 0.361 569 R C -0.367 175.878 176.300 -0.093 0.000 1.072 569 R CA -0.389 55.497 56.100 -0.356 0.000 1.089 569 R CB -0.617 29.486 30.300 -0.328 0.000 1.343 569 R HN 0.801 nan 8.270 nan 0.000 0.571 570 Y N -0.739 119.492 120.300 -0.115 0.000 4.798 570 Y HA -0.305 4.236 4.550 -0.015 0.000 0.237 570 Y C 1.399 177.255 175.900 -0.073 0.000 1.017 570 Y CA 0.867 58.914 58.100 -0.088 0.000 2.010 570 Y CB -1.567 36.849 38.460 -0.073 0.000 1.582 570 Y HN 0.110 nan 8.280 nan 0.000 0.621 571 Q N -0.302 119.504 119.800 0.011 0.000 2.376 571 Q HA 0.113 4.446 4.340 -0.011 0.000 0.206 571 Q C 1.567 177.546 176.000 -0.035 0.000 0.921 571 Q CA 1.516 57.319 55.803 -0.002 0.000 0.911 571 Q CB 0.028 28.765 28.738 -0.002 0.000 1.032 571 Q HN 0.688 nan 8.270 nan 0.000 0.510 572 T N -2.405 112.101 114.554 -0.081 0.000 3.293 572 T HA 0.391 4.734 4.350 -0.011 0.000 0.276 572 T C 1.364 175.973 174.700 -0.151 0.000 1.003 572 T CA -0.220 61.814 62.100 -0.110 0.000 0.916 572 T CB -0.320 68.475 68.868 -0.122 0.000 1.134 572 T HN -0.001 nan 8.240 nan 0.000 0.530 573 L N 0.353 121.511 121.223 -0.110 0.000 2.201 573 L HA -0.008 4.325 4.340 -0.011 0.000 0.212 573 L C 2.670 179.480 176.870 -0.101 0.000 1.105 573 L CA 0.713 55.488 54.840 -0.109 0.000 0.775 573 L CB -0.575 41.458 42.059 -0.043 0.000 0.913 573 L HN 0.347 nan 8.230 nan 0.000 0.440 574 S N -0.629 115.024 115.700 -0.078 0.000 2.447 574 S HA -0.035 4.428 4.470 -0.011 0.000 0.233 574 S C 0.895 175.445 174.600 -0.082 0.000 1.006 574 S CA 0.311 58.472 58.200 -0.065 0.000 0.957 574 S CB -0.055 63.119 63.200 -0.043 0.000 0.773 574 S HN 0.095 nan 8.310 nan 0.000 0.507 575 V N 3.462 123.306 119.914 -0.116 0.000 2.389 575 V HA 0.160 4.273 4.120 -0.011 0.000 0.264 575 V C -0.356 175.617 176.094 -0.201 0.000 1.049 575 V CA -0.767 61.455 62.300 -0.130 0.000 0.932 575 V CB 0.368 32.108 31.823 -0.138 0.000 1.011 575 V HN 0.226 nan 8.190 nan 0.000 0.475 576 D N 4.776 125.064 120.400 -0.186 0.000 2.493 576 D HA 0.139 4.772 4.640 -0.011 0.000 0.240 576 D C 0.131 176.152 176.300 -0.465 0.000 1.142 576 D CA 0.284 54.076 54.000 -0.347 0.000 0.872 576 D CB 0.522 41.095 40.800 -0.378 0.000 1.173 576 D HN 0.293 nan 8.370 nan 0.000 0.467 577 K N 2.556 122.669 120.400 -0.478 0.000 2.211 577 K HA 0.291 4.604 4.320 -0.011 0.000 0.275 577 K C -0.980 175.437 176.600 -0.305 0.000 1.024 577 K CA -0.546 55.560 56.287 -0.301 0.000 0.887 577 K CB 0.623 33.043 32.500 -0.134 0.000 1.084 577 K HN 0.393 nan 8.250 nan 0.000 0.463 578 Y N 2.406 122.807 120.300 0.167 0.000 2.334 578 Y HA 0.322 4.866 4.550 -0.009 0.000 0.336 578 Y C -0.320 175.727 175.900 0.244 0.000 0.960 578 Y CA -0.919 57.295 58.100 0.191 0.000 1.164 578 Y CB 0.779 39.286 38.460 0.079 0.000 1.155 578 Y HN 0.333 nan 8.280 nan 0.000 0.478 579 F N 5.687 125.696 119.950 0.098 0.000 2.411 579 F HA 0.440 4.960 4.527 -0.012 0.000 0.350 579 F C -1.940 173.844 175.800 -0.026 0.000 1.114 579 F CA -3.271 54.750 58.000 0.035 0.000 1.135 579 F CB 0.734 39.743 39.000 0.014 0.000 1.120 579 F HN 0.301 nan 8.300 nan 0.000 0.495 580 P HA 0.211 nan 4.420 nan 0.000 0.274 580 P C -2.703 174.546 177.300 -0.086 0.000 1.237 580 P CA -1.594 61.506 63.100 -0.000 0.000 0.793 580 P CB 0.141 31.848 31.700 0.012 0.000 0.977 581 P HA -0.010 nan 4.420 nan 0.000 0.265 581 P C -0.075 177.270 177.300 0.075 0.000 1.187 581 P CA 0.233 63.169 63.100 -0.273 0.000 0.766 581 P CB 0.147 31.796 31.700 -0.084 0.000 0.820 582 V N 3.938 124.030 119.914 0.296 0.000 2.763 582 V HA -0.031 4.083 4.120 -0.011 0.000 0.306 582 V C 0.555 176.827 176.094 0.297 0.000 1.059 582 V CA 0.211 62.705 62.300 0.322 0.000 1.138 582 V CB 0.918 33.008 31.823 0.446 0.000 0.940 582 V HN 0.209 nan 8.190 nan 0.000 0.489 583 V N 8.010 128.027 119.914 0.172 0.000 2.288 583 V HA 0.205 4.318 4.120 -0.011 0.000 0.266 583 V C -0.972 175.188 176.094 0.111 0.000 1.048 583 V CA -0.847 61.548 62.300 0.160 0.000 0.842 583 V CB 1.042 32.951 31.823 0.144 0.000 1.064 583 V HN 0.865 nan 8.190 nan 0.000 0.472 584 P HA -0.023 nan 4.420 nan 0.000 0.219 584 P C 0.050 177.365 177.300 0.027 0.000 1.150 584 P CA 0.868 63.968 63.100 0.000 0.000 0.814 584 P CB 0.521 32.222 31.700 0.002 0.000 0.787 585 D N 0.452 120.901 120.400 0.081 0.000 2.460 585 D HA 0.238 4.871 4.640 -0.011 0.000 0.232 585 D C -0.183 176.183 176.300 0.109 0.000 1.079 585 D CA 0.102 54.142 54.000 0.066 0.000 0.864 585 D CB 1.002 41.836 40.800 0.057 0.000 1.048 585 D HN 0.234 nan 8.370 nan 0.000 0.523 586 H N 1.474 120.525 119.070 -0.032 0.000 3.012 586 H HA 0.033 4.582 4.556 -0.011 0.000 0.367 586 H C 0.102 175.399 175.328 -0.052 0.000 1.211 586 H CA -0.656 55.371 56.048 -0.035 0.000 1.139 586 H CB 1.648 31.363 29.762 -0.078 0.000 1.838 586 H HN 0.201 nan 8.280 nan 0.000 0.550 587 F N 3.373 123.078 119.950 -0.408 0.000 2.063 587 F HA -0.267 4.253 4.527 -0.012 0.000 0.298 587 F C 1.969 177.700 175.800 -0.114 0.000 1.105 587 F CA 2.334 60.182 58.000 -0.253 0.000 1.215 587 F CB -0.239 38.595 39.000 -0.277 0.000 0.972 587 F HN 0.586 nan 8.300 nan 0.000 0.483 588 I N -0.248 120.465 120.570 0.238 0.000 2.361 588 I HA -0.278 3.886 4.170 -0.011 0.000 0.251 588 I C 1.881 177.931 176.117 -0.111 0.000 1.133 588 I CA 1.852 63.171 61.300 0.031 0.000 1.413 588 I CB -0.595 37.408 38.000 0.005 0.000 1.073 588 I HN 0.344 nan 8.210 nan 0.000 0.424 589 T N -2.279 112.229 114.554 -0.078 0.000 3.145 589 T HA 0.392 4.736 4.350 -0.011 0.000 0.255 589 T C 1.526 176.147 174.700 -0.132 0.000 1.039 589 T CA 0.284 62.323 62.100 -0.101 0.000 0.928 589 T CB 0.394 69.222 68.868 -0.066 0.000 1.029 589 T HN 0.220 nan 8.240 nan 0.000 0.554 590 A N 2.026 124.727 122.820 -0.199 0.000 2.019 590 A HA -0.027 4.286 4.320 -0.011 0.000 0.219 590 A C 1.869 179.357 177.584 -0.160 0.000 1.164 590 A CA 1.114 53.038 52.037 -0.189 0.000 0.644 590 A CB -0.349 18.488 19.000 -0.272 0.000 0.805 590 A HN 0.447 nan 8.150 nan 0.000 0.449 591 D N -0.476 119.821 120.400 -0.171 0.000 2.328 591 D HA 0.165 4.798 4.640 -0.011 0.000 0.221 591 D C -0.211 176.024 176.300 -0.110 0.000 1.072 591 D CA 0.173 54.098 54.000 -0.125 0.000 0.850 591 D CB 0.384 41.113 40.800 -0.118 0.000 0.922 591 D HN 0.133 nan 8.370 nan 0.000 0.516 592 V N 3.177 123.022 119.914 -0.115 0.000 2.408 592 V HA 0.154 4.267 4.120 -0.011 0.000 0.267 592 V C -1.934 174.105 176.094 -0.093 0.000 1.047 592 V CA -1.429 60.803 62.300 -0.112 0.000 0.937 592 V CB 0.754 32.504 31.823 -0.123 0.000 0.999 592 V HN -0.063 nan 8.190 nan 0.000 0.472 593 P HA 0.094 nan 4.420 nan 0.000 0.263 593 P C -0.152 177.111 177.300 -0.062 0.000 1.195 593 P CA -0.027 63.034 63.100 -0.065 0.000 0.762 593 P CB 0.307 31.971 31.700 -0.060 0.000 0.799 594 V N 3.412 123.296 119.914 -0.049 0.000 2.788 594 V HA -0.028 4.086 4.120 -0.011 0.000 0.307 594 V C 0.820 176.895 176.094 -0.032 0.000 1.069 594 V CA 0.738 63.014 62.300 -0.040 0.000 1.173 594 V CB 0.316 32.125 31.823 -0.022 0.000 0.925 594 V HN 0.603 nan 8.190 nan 0.000 0.492 595 D N 5.551 125.935 120.400 -0.028 0.000 2.446 595 D HA 0.356 4.990 4.640 -0.011 0.000 0.251 595 D C -1.935 174.366 176.300 0.002 0.000 1.137 595 D CA -2.007 51.983 54.000 -0.016 0.000 0.890 595 D CB 2.144 42.931 40.800 -0.021 0.000 1.071 595 D HN 0.172 nan 8.370 nan 0.000 0.528 596 P HA -0.032 nan 4.420 nan 0.000 0.218 596 P C 1.066 178.385 177.300 0.032 0.000 1.149 596 P CA 0.894 64.007 63.100 0.022 0.000 0.817 596 P CB 0.365 32.075 31.700 0.016 0.000 0.785 597 A N -0.072 122.763 122.820 0.025 0.000 1.929 597 A HA 0.012 4.325 4.320 -0.011 0.000 0.216 597 A C 2.283 179.894 177.584 0.044 0.000 1.176 597 A CA 1.722 53.776 52.037 0.030 0.000 0.628 597 A CB -1.446 17.566 19.000 0.020 0.000 0.816 597 A HN 0.182 nan 8.150 nan 0.000 0.444 598 A N 0.221 123.066 122.820 0.041 0.000 1.873 598 A HA -0.127 4.186 4.320 -0.011 0.000 0.215 598 A C 2.178 179.827 177.584 0.108 0.000 1.186 598 A CA 2.037 54.108 52.037 0.057 0.000 0.616 598 A CB -0.481 18.533 19.000 0.024 0.000 0.823 598 A HN 0.493 nan 8.150 nan 0.000 0.442 599 R N 0.050 120.607 120.500 0.095 0.000 2.083 599 R HA -0.160 4.173 4.340 -0.011 0.000 0.237 599 R C 1.852 178.301 176.300 0.249 0.000 1.137 599 R CA 2.079 58.285 56.100 0.176 0.000 0.951 599 R CB -0.408 29.956 30.300 0.108 0.000 0.851 599 R HN 0.457 nan 8.270 nan 0.000 0.434 600 E N 0.428 120.709 120.200 0.136 0.000 2.077 600 E HA -0.145 4.198 4.350 -0.011 0.000 0.193 600 E C 1.970 178.613 176.600 0.072 0.000 0.989 600 E CA 1.601 58.055 56.400 0.090 0.000 0.800 600 E CB -0.718 29.012 29.700 0.050 0.000 0.746 600 E HN 0.497 nan 8.360 nan 0.000 0.452 601 A N 0.652 123.524 122.820 0.086 0.000 1.902 601 A HA -0.174 4.139 4.320 -0.011 0.000 0.217 601 A C 2.119 179.751 177.584 0.080 0.000 1.181 601 A CA 1.521 53.596 52.037 0.064 0.000 0.623 601 A CB -1.114 17.926 19.000 0.066 0.000 0.818 601 A HN 0.441 nan 8.150 nan 0.000 0.443 602 W N 1.152 122.427 121.300 -0.041 0.000 2.332 602 W HA -0.220 4.433 4.660 -0.012 0.000 0.321 602 W C 1.979 178.435 176.519 -0.106 0.000 1.219 602 W CA 2.189 59.496 57.345 -0.063 0.000 1.277 602 W CB -0.371 29.067 29.460 -0.036 0.000 1.161 602 W HN 0.485 nan 8.180 nan 0.000 0.476 603 E N -0.517 119.542 120.200 -0.234 0.000 2.118 603 E HA -0.285 4.058 4.350 -0.011 0.000 0.195 603 E C 2.144 178.520 176.600 -0.374 0.000 0.992 603 E CA 1.387 57.490 56.400 -0.495 0.000 0.804 603 E CB -0.402 29.198 29.700 -0.166 0.000 0.741 603 E HN 0.365 nan 8.360 nan 0.000 0.458 604 Q N -0.024 119.653 119.800 -0.205 0.000 2.137 604 Q HA -0.001 4.332 4.340 -0.011 0.000 0.198 604 Q C 2.183 178.076 176.000 -0.177 0.000 0.960 604 Q CA 1.146 56.855 55.803 -0.156 0.000 0.847 604 Q CB -0.174 28.515 28.738 -0.081 0.000 0.915 604 Q HN 0.261 nan 8.270 nan 0.000 0.448 605 A N 0.388 123.094 122.820 -0.190 0.000 1.969 605 A HA 0.207 4.521 4.320 -0.011 0.000 0.218 605 A C 1.172 178.614 177.584 -0.238 0.000 1.169 605 A CA 1.535 53.470 52.037 -0.170 0.000 0.635 605 A CB -0.671 18.259 19.000 -0.117 0.000 0.810 605 A HN 0.440 nan 8.150 nan 0.000 0.445 606 G N -2.659 105.891 108.800 -0.416 0.000 2.760 606 G HA2 -0.111 3.842 3.960 -0.011 0.000 0.246 606 G HA3 -0.111 3.842 3.960 -0.011 0.000 0.246 606 G C -0.559 174.040 174.900 -0.502 0.000 1.359 606 G CA -0.200 44.605 45.100 -0.492 0.000 0.861 606 G HN 0.568 nan 8.290 nan 0.000 0.541 607 Y N 0.653 120.875 120.300 -0.129 0.000 2.323 607 Y HA 0.595 5.137 4.550 -0.012 0.000 0.331 607 Y C 1.582 177.449 175.900 -0.055 0.000 1.092 607 Y CA -0.737 57.318 58.100 -0.076 0.000 1.150 607 Y CB 1.000 39.437 38.460 -0.039 0.000 1.200 607 Y HN 0.570 nan 8.280 nan 0.000 0.472 608 R N 3.190 123.759 120.500 0.114 0.000 2.502 608 R HA 0.097 4.430 4.340 -0.011 0.000 0.292 608 R C -0.231 176.110 176.300 0.068 0.000 0.998 608 R CA -0.131 55.997 56.100 0.045 0.000 1.056 608 R CB -0.097 30.198 30.300 -0.009 0.000 0.939 608 R HN 0.668 nan 8.270 nan 0.000 0.411 609 I N 1.791 122.391 120.570 0.051 0.000 2.581 609 I HA 0.302 4.465 4.170 -0.011 0.000 0.288 609 I C -2.165 173.995 176.117 0.072 0.000 1.047 609 I CA -2.437 58.899 61.300 0.061 0.000 1.374 609 I CB 0.412 38.435 38.000 0.039 0.000 1.423 609 I HN 0.370 nan 8.210 nan 0.000 0.549 610 P HA 0.182 nan 4.420 nan 0.000 0.261 610 P C -1.064 176.291 177.300 0.092 0.000 1.183 610 P CA 0.187 63.391 63.100 0.173 0.000 0.761 610 P CB 0.437 32.281 31.700 0.240 0.000 0.785 611 L N 2.541 123.799 121.223 0.058 0.000 2.381 611 L HA 0.425 4.758 4.340 -0.011 0.000 0.268 611 L C 0.167 177.046 176.870 0.015 0.000 0.997 611 L CA -0.591 54.264 54.840 0.026 0.000 0.818 611 L CB 2.099 44.159 42.059 0.002 0.000 1.310 611 L HN 0.193 nan 8.230 nan 0.000 0.416 612 S N 2.547 118.255 115.700 0.014 0.000 2.596 612 S HA 0.346 4.810 4.470 -0.011 0.000 0.298 612 S C 1.150 175.739 174.600 -0.018 0.000 1.255 612 S CA 0.777 58.981 58.200 0.006 0.000 1.083 612 S CB -0.392 62.811 63.200 0.006 0.000 0.837 612 S HN 1.376 nan 8.310 nan 0.000 0.499 613 G N 3.184 111.964 108.800 -0.034 0.000 2.153 613 G HA2 -0.242 3.712 3.960 -0.011 0.000 0.252 613 G HA3 -0.242 3.712 3.960 -0.011 0.000 0.252 613 G C 0.488 175.339 174.900 -0.081 0.000 0.994 613 G CA 0.222 45.289 45.100 -0.056 0.000 0.698 613 G HN 0.979 nan 8.290 nan 0.000 0.521 614 C N -0.525 118.716 119.300 -0.098 0.000 3.911 614 C HA 0.631 5.085 4.460 -0.011 0.000 0.318 614 C C 2.080 176.963 174.990 -0.177 0.000 1.643 614 C CA 0.280 59.229 59.018 -0.114 0.000 1.845 614 C CB -0.381 27.314 27.740 -0.075 0.000 2.981 614 C HN 2.044 nan 8.230 nan 0.000 0.656 615 G N 1.373 110.013 108.800 -0.266 0.000 2.581 615 G HA2 0.250 4.203 3.960 -0.011 0.000 0.291 615 G HA3 0.250 4.203 3.960 -0.011 0.000 0.291 615 G C 0.024 174.790 174.900 -0.223 0.000 1.277 615 G CA 0.246 45.028 45.100 -0.530 0.000 0.959 615 G HN 1.512 nan 8.290 nan 0.000 0.554 616 G N -3.878 104.837 108.800 -0.141 0.000 2.523 616 G HA2 0.715 4.668 3.960 -0.011 0.000 0.291 616 G HA3 0.715 4.668 3.960 -0.011 0.000 0.291 616 G C 0.861 175.838 174.900 0.128 0.000 1.450 616 G CA 1.179 46.339 45.100 0.101 0.000 0.790 616 G HN 2.632 nan 8.290 nan 0.000 0.496 617 G N -1.212 107.632 108.800 0.072 0.000 2.194 617 G HA2 -0.180 3.774 3.960 -0.011 0.000 0.236 617 G HA3 -0.180 3.774 3.960 -0.011 0.000 0.236 617 G C 0.330 175.212 174.900 -0.030 0.000 0.987 617 G CA 0.771 45.886 45.100 0.025 0.000 0.635 617 G HN 0.914 nan 8.290 nan 0.000 0.520 618 Q N 1.471 121.161 119.800 -0.184 0.000 2.352 618 Q HA 0.535 4.869 4.340 -0.011 0.000 0.260 618 Q C 0.796 176.866 176.000 0.117 0.000 0.976 618 Q CA 0.492 56.136 55.803 -0.267 0.000 0.881 618 Q CB 1.199 29.598 28.738 -0.565 0.000 1.235 618 Q HN 0.697 nan 8.270 nan 0.000 0.419 619 S N 1.801 117.653 115.700 0.253 0.000 2.510 619 S HA 0.153 4.617 4.470 -0.011 0.000 0.279 619 S C 0.834 175.478 174.600 0.074 0.000 1.284 619 S CA -0.484 57.842 58.200 0.211 0.000 1.059 619 S CB 0.254 63.683 63.200 0.382 0.000 0.901 619 S HN 0.648 nan 8.310 nan 0.000 0.491 620 I N 1.564 122.127 120.570 -0.011 0.000 2.361 620 I HA -0.070 4.093 4.170 -0.011 0.000 0.251 620 I C 1.291 177.419 176.117 0.018 0.000 1.133 620 I CA 1.166 62.456 61.300 -0.016 0.000 1.413 620 I CB -0.139 37.830 38.000 -0.052 0.000 1.073 620 I HN 0.611 nan 8.210 nan 0.000 0.424 621 K N 0.296 120.726 120.400 0.050 0.000 2.340 621 K HA 0.426 4.739 4.320 -0.011 0.000 0.244 621 K C -2.570 174.175 176.600 0.242 0.000 0.973 621 K CA -1.847 54.506 56.287 0.111 0.000 0.828 621 K CB 2.057 34.611 32.500 0.090 0.000 1.226 621 K HN -0.276 nan 8.250 nan 0.000 0.437 622 P HA 0.088 nan 4.420 nan 0.000 0.284 622 P C 0.097 177.465 177.300 0.113 0.000 1.253 622 P CA -0.553 62.645 63.100 0.163 0.000 0.800 622 P CB 0.832 32.586 31.700 0.091 0.000 0.961 623 L N 3.272 124.407 121.223 -0.145 0.000 2.056 623 L HA 0.110 4.443 4.340 -0.011 0.000 0.207 623 L C 1.259 178.012 176.870 -0.195 0.000 1.078 623 L CA 2.627 57.183 54.840 -0.474 0.000 0.749 623 L CB -1.540 39.885 42.059 -1.057 0.000 0.901 623 L HN 0.783 nan 8.230 nan 0.000 0.433 624 G N -1.576 107.167 108.800 -0.094 0.000 2.645 624 G HA2 0.093 4.046 3.960 -0.011 0.000 0.246 624 G HA3 0.093 4.046 3.960 -0.011 0.000 0.246 624 G C 0.951 175.810 174.900 -0.068 0.000 1.322 624 G CA 0.109 45.190 45.100 -0.032 0.000 0.898 624 G HN 1.501 nan 8.290 nan 0.000 0.573 625 G N -2.218 106.540 108.800 -0.069 0.000 2.241 625 G HA2 -0.108 3.845 3.960 -0.011 0.000 0.244 625 G HA3 -0.108 3.845 3.960 -0.011 0.000 0.244 625 G C 0.368 175.177 174.900 -0.151 0.000 0.998 625 G CA 0.947 45.987 45.100 -0.100 0.000 0.621 625 G HN 1.678 nan 8.290 nan 0.000 0.519 626 I N 0.934 121.387 120.570 -0.195 0.000 2.545 626 I HA 0.425 4.588 4.170 -0.011 0.000 0.292 626 I C -1.159 174.681 176.117 -0.461 0.000 1.040 626 I CA -0.966 60.081 61.300 -0.423 0.000 1.068 626 I CB 2.074 39.627 38.000 -0.745 0.000 1.251 626 I HN 0.041 nan 8.210 nan 0.000 0.424 627 D N 4.795 124.934 120.400 -0.434 0.000 2.359 627 D HA 0.280 4.913 4.640 -0.011 0.000 0.230 627 D C -0.210 175.877 176.300 -0.354 0.000 1.118 627 D CA -0.049 53.793 54.000 -0.262 0.000 0.844 627 D CB 0.635 41.355 40.800 -0.133 0.000 1.059 627 D HN 0.274 nan 8.370 nan 0.000 0.493 628 F N 2.430 122.337 119.950 -0.073 0.000 2.664 628 F HA 0.336 4.857 4.527 -0.010 0.000 0.303 628 F C 1.867 177.562 175.800 -0.176 0.000 1.092 628 F CA 0.400 58.328 58.000 -0.121 0.000 1.305 628 F CB 0.210 39.156 39.000 -0.090 0.000 1.054 628 F HN 0.644 nan 8.300 nan 0.000 0.565 629 G N 0.287 109.084 108.800 -0.006 0.000 2.527 629 G HA2 -0.255 3.698 3.960 -0.011 0.000 0.268 629 G HA3 -0.255 3.698 3.960 -0.011 0.000 0.268 629 G C -0.111 174.762 174.900 -0.045 0.000 1.175 629 G CA -0.547 44.467 45.100 -0.143 0.000 0.962 629 G HN 0.110 nan 8.290 nan 0.000 0.560 630 E N 2.872 122.982 120.200 -0.149 0.000 2.376 630 E HA 0.289 4.633 4.350 -0.011 0.000 0.266 630 E C -1.645 174.968 176.600 0.022 0.000 1.009 630 E CA -0.740 55.656 56.400 -0.005 0.000 0.902 630 E CB 0.895 30.593 29.700 -0.003 0.000 0.972 630 E HN 0.404 nan 8.360 nan 0.000 0.439 631 P HA 0.087 nan 4.420 nan 0.000 0.274 631 P C -0.448 176.920 177.300 0.114 0.000 1.231 631 P CA -0.306 62.844 63.100 0.084 0.000 0.790 631 P CB 0.758 32.510 31.700 0.087 0.000 0.951 632 V N 3.980 123.979 119.914 0.141 0.000 2.328 632 V HA 0.195 4.308 4.120 -0.011 0.000 0.278 632 V C 0.697 176.874 176.094 0.139 0.000 1.021 632 V CA -0.664 61.751 62.300 0.191 0.000 0.838 632 V CB 0.700 32.712 31.823 0.316 0.000 0.999 632 V HN 0.402 nan 8.190 nan 0.000 0.447 633 L N 5.490 126.776 121.223 0.106 0.000 2.416 633 L HA 0.321 4.654 4.340 -0.011 0.000 0.272 633 L C 0.963 177.838 176.870 0.008 0.000 1.161 633 L CA -0.132 54.748 54.840 0.067 0.000 0.845 633 L CB 0.192 42.301 42.059 0.083 0.000 1.119 633 L HN 0.787 nan 8.230 nan 0.000 0.464 634 N N -0.018 118.691 118.700 0.016 0.000 2.741 634 N HA -0.151 4.583 4.740 -0.011 0.000 0.250 634 N C 0.197 175.720 175.510 0.022 0.000 1.115 634 N CA 1.097 54.140 53.050 -0.011 0.000 0.724 634 N CB -1.635 36.754 38.487 -0.164 0.000 1.090 634 N HN 0.888 nan 8.380 nan 0.000 0.558 635 T N -0.661 113.899 114.554 0.009 0.000 2.940 635 T HA 0.330 4.673 4.350 -0.011 0.000 0.309 635 T C 0.167 174.860 174.700 -0.012 0.000 1.056 635 T CA -0.115 61.922 62.100 -0.105 0.000 1.137 635 T CB 0.630 69.423 68.868 -0.126 0.000 0.976 635 T HN 0.366 nan 8.240 nan 0.000 0.547 636 Y N -0.142 119.970 120.300 -0.313 0.000 2.597 636 Y HA 0.730 5.276 4.550 -0.006 0.000 0.340 636 Y C -3.224 172.368 175.900 -0.513 0.000 1.097 636 Y CA -3.379 54.431 58.100 -0.483 0.000 1.037 636 Y CB 0.841 39.108 38.460 -0.323 0.000 1.305 636 Y HN 0.440 nan 8.280 nan 0.000 0.463 637 P HA 0.058 nan 4.420 nan 0.000 0.280 637 P C 0.877 178.017 177.300 -0.267 0.000 1.244 637 P CA -0.262 62.586 63.100 -0.421 0.000 0.784 637 P CB 2.132 33.619 31.700 -0.355 0.000 0.913 638 V N 0.393 120.147 119.914 -0.267 0.000 2.759 638 V HA -0.110 4.003 4.120 -0.011 0.000 0.256 638 V C 0.544 176.638 176.094 0.000 0.000 1.080 638 V CA 1.604 63.830 62.300 -0.124 0.000 1.101 638 V CB -1.701 30.046 31.823 -0.128 0.000 0.698 638 V HN 0.740 nan 8.190 nan 0.000 0.477 639 N N -1.517 117.173 118.700 -0.017 0.000 3.106 639 N HA 0.251 4.985 4.740 -0.011 0.000 0.253 639 N C -0.335 175.181 175.510 0.009 0.000 1.506 639 N CA -0.449 52.614 53.050 0.022 0.000 0.876 639 N CB 0.734 39.236 38.487 0.026 0.000 1.452 639 N HN 0.047 nan 8.380 nan 0.000 0.542 640 E N -1.080 119.136 120.200 0.028 0.000 2.465 640 E HA 0.183 4.526 4.350 -0.011 0.000 0.191 640 E C -0.141 176.470 176.600 0.019 0.000 1.053 640 E CA 0.140 56.555 56.400 0.024 0.000 0.869 640 E CB -0.413 29.308 29.700 0.034 0.000 0.977 640 E HN 0.513 nan 8.360 nan 0.000 0.483 641 N N -0.164 118.548 118.700 0.020 0.000 2.353 641 N HA 0.006 4.739 4.740 -0.011 0.000 0.185 641 N C -0.200 175.330 175.510 0.035 0.000 1.098 641 N CA -0.153 52.914 53.050 0.029 0.000 0.872 641 N CB 0.781 39.286 38.487 0.031 0.000 0.970 641 N HN -0.115 nan 8.380 nan 0.000 0.467 642 V N 1.481 121.405 119.914 0.017 0.000 2.614 642 V HA 0.073 4.186 4.120 -0.011 0.000 0.291 642 V C 0.488 176.590 176.094 0.014 0.000 1.049 642 V CA -0.128 62.179 62.300 0.012 0.000 1.038 642 V CB 1.275 33.079 31.823 -0.033 0.000 0.980 642 V HN 0.114 nan 8.190 nan 0.000 0.481 643 T N 6.859 121.428 114.554 0.025 0.000 2.728 643 T HA 0.472 4.816 4.350 -0.011 0.000 0.296 643 T C -0.132 174.553 174.700 -0.025 0.000 0.940 643 T CA -0.204 61.905 62.100 0.015 0.000 1.013 643 T CB 0.099 68.988 68.868 0.034 0.000 0.912 643 T HN 0.355 nan 8.240 nan 0.000 0.484 644 L N 4.620 125.840 121.223 -0.005 0.000 2.276 644 L HA 0.394 4.727 4.340 -0.011 0.000 0.286 644 L C 0.984 177.849 176.870 -0.008 0.000 1.061 644 L CA -0.485 54.355 54.840 0.001 0.000 0.807 644 L CB 1.040 43.130 42.059 0.051 0.000 1.177 644 L HN 0.620 nan 8.230 nan 0.000 0.429 645 L N 2.412 123.605 121.223 -0.050 0.000 2.425 645 L HA 0.265 4.598 4.340 -0.011 0.000 0.215 645 L C 0.388 177.244 176.870 -0.023 0.000 1.065 645 L CA 0.253 55.049 54.840 -0.074 0.000 0.842 645 L CB 0.080 42.046 42.059 -0.154 0.000 1.033 645 L HN 0.524 nan 8.230 nan 0.000 0.474 646 R N 0.521 121.019 120.500 -0.005 0.000 2.510 646 R HA 0.605 4.938 4.340 -0.011 0.000 0.287 646 R C -1.186 175.123 176.300 0.014 0.000 1.084 646 R CA -0.230 55.876 56.100 0.009 0.000 0.934 646 R CB 1.838 32.175 30.300 0.060 0.000 1.201 646 R HN -0.067 nan 8.270 nan 0.000 0.431 647 A N 2.793 125.679 122.820 0.109 0.000 3.410 647 A HA 0.312 4.625 4.320 -0.011 0.000 0.276 647 A C -0.853 176.856 177.584 0.208 0.000 0.995 647 A CA -0.665 51.493 52.037 0.202 0.000 0.934 647 A CB 0.250 19.466 19.000 0.360 0.000 1.191 647 A HN 0.405 nan 8.150 nan 0.000 0.511 648 D N 0.100 120.578 120.400 0.131 0.000 2.264 648 D HA 0.500 5.133 4.640 -0.011 0.000 0.249 648 D C 1.236 177.594 176.300 0.096 0.000 1.070 648 D CA 1.267 55.338 54.000 0.119 0.000 0.912 648 D CB 1.480 42.337 40.800 0.095 0.000 1.193 648 D HN 0.922 nan 8.370 nan 0.000 0.427 649 G N 0.953 109.800 108.800 0.078 0.000 2.176 649 G HA2 -0.101 3.853 3.960 -0.011 0.000 0.252 649 G HA3 -0.101 3.853 3.960 -0.011 0.000 0.252 649 G C 0.956 175.873 174.900 0.029 0.000 1.024 649 G CA 0.504 45.635 45.100 0.052 0.000 0.755 649 G HN 1.251 nan 8.290 nan 0.000 0.507 650 G N -1.533 107.262 108.800 -0.008 0.000 2.160 650 G HA2 0.059 4.012 3.960 -0.011 0.000 0.251 650 G HA3 0.059 4.012 3.960 -0.011 0.000 0.251 650 G C 0.251 175.177 174.900 0.043 0.000 1.008 650 G CA 1.605 46.644 45.100 -0.102 0.000 0.724 650 G HN 2.094 nan 8.290 nan 0.000 0.514 651 Q N -2.168 117.745 119.800 0.187 0.000 2.814 651 Q HA 0.748 5.082 4.340 -0.011 0.000 0.322 651 Q C -1.246 174.922 176.000 0.280 0.000 0.888 651 Q CA -1.078 54.904 55.803 0.298 0.000 0.768 651 Q CB 1.802 30.633 28.738 0.156 0.000 1.443 651 Q HN 0.456 nan 8.270 nan 0.000 0.497 652 V N 1.305 121.315 119.914 0.160 0.000 2.459 652 V HA 0.182 4.295 4.120 -0.011 0.000 0.295 652 V C -0.372 175.754 176.094 0.053 0.000 1.029 652 V CA -0.326 62.026 62.300 0.085 0.000 0.874 652 V CB 1.367 33.175 31.823 -0.025 0.000 0.985 652 V HN 0.790 nan 8.190 nan 0.000 0.438 653 Q N 2.992 122.701 119.800 -0.150 0.000 2.402 653 Q HA 0.442 4.775 4.340 -0.011 0.000 0.231 653 Q C -0.338 175.311 176.000 -0.585 0.000 0.888 653 Q CA 0.255 55.711 55.803 -0.578 0.000 0.938 653 Q CB 0.938 28.860 28.738 -1.358 0.000 1.086 653 Q HN 0.575 nan 8.270 nan 0.000 0.543 654 L N -0.250 120.814 121.223 -0.265 0.000 2.588 654 L HA 0.801 5.134 4.340 -0.011 0.000 0.263 654 L C -2.097 174.756 176.870 -0.028 0.000 0.935 654 L CA -0.484 54.281 54.840 -0.125 0.000 0.891 654 L CB 1.864 43.896 42.059 -0.045 0.000 1.318 654 L HN -0.033 nan 8.230 nan 0.000 0.409 655 A N 2.283 125.112 122.820 0.014 0.000 2.612 655 A HA 0.860 5.174 4.320 -0.011 0.000 0.293 655 A C -1.217 176.375 177.584 0.014 0.000 1.075 655 A CA -0.189 51.850 52.037 0.003 0.000 0.680 655 A CB 2.003 21.020 19.000 0.029 0.000 1.279 655 A HN 0.667 nan 8.150 nan 0.000 0.411 656 T N 0.177 114.732 114.554 0.001 0.000 2.909 656 T HA 0.647 4.990 4.350 -0.011 0.000 0.299 656 T C -1.438 173.318 174.700 0.094 0.000 1.073 656 T CA -0.479 61.662 62.100 0.068 0.000 0.999 656 T CB 1.140 70.067 68.868 0.098 0.000 1.098 656 T HN 0.907 nan 8.240 nan 0.000 0.477 657 N N 2.629 121.399 118.700 0.117 0.000 2.371 657 N HA 0.396 5.130 4.740 -0.011 0.000 0.291 657 N C -1.635 173.959 175.510 0.140 0.000 1.053 657 N CA -0.555 52.564 53.050 0.115 0.000 0.870 657 N CB 1.534 40.078 38.487 0.095 0.000 1.503 657 N HN 0.472 nan 8.380 nan 0.000 0.485 658 D N 1.673 122.154 120.400 0.136 0.000 2.389 658 D HA 0.080 4.713 4.640 -0.011 0.000 0.247 658 D C -0.942 175.474 176.300 0.194 0.000 1.128 658 D CA 0.794 54.877 54.000 0.138 0.000 0.884 658 D CB 0.380 41.244 40.800 0.106 0.000 1.194 658 D HN 0.433 nan 8.370 nan 0.000 0.441 659 Y N 1.920 122.236 120.300 0.028 0.000 2.609 659 Y HA 0.405 4.948 4.550 -0.012 0.000 0.350 659 Y C 0.826 176.725 175.900 -0.001 0.000 1.050 659 Y CA 0.102 58.210 58.100 0.013 0.000 1.290 659 Y CB 0.533 39.002 38.460 0.014 0.000 1.094 659 Y HN 0.640 nan 8.280 nan 0.000 0.583 660 G N 3.982 112.681 108.800 -0.167 0.000 2.591 660 G HA2 -0.387 3.566 3.960 -0.011 0.000 0.298 660 G HA3 -0.387 3.566 3.960 -0.011 0.000 0.298 660 G C 0.954 175.829 174.900 -0.042 0.000 1.195 660 G CA 0.678 45.699 45.100 -0.130 0.000 0.989 660 G HN 0.572 nan 8.290 nan 0.000 0.551 661 K N 1.492 121.859 120.400 -0.055 0.000 2.418 661 K HA 0.268 4.581 4.320 -0.011 0.000 0.195 661 K C 1.542 178.144 176.600 0.004 0.000 1.035 661 K CA 0.564 56.805 56.287 -0.077 0.000 1.003 661 K CB 0.230 32.654 32.500 -0.127 0.000 0.793 661 K HN 0.641 nan 8.250 nan 0.000 0.494 662 G N 0.771 109.599 108.800 0.047 0.000 2.671 662 G HA2 0.533 4.486 3.960 -0.011 0.000 0.275 662 G HA3 0.533 4.486 3.960 -0.011 0.000 0.275 662 G C -0.836 174.131 174.900 0.112 0.000 1.368 662 G CA -0.627 44.509 45.100 0.061 0.000 1.044 662 G HN 0.037 nan 8.290 nan 0.000 0.543 663 R N -1.755 118.773 120.500 0.046 0.000 2.651 663 R HA 0.541 4.874 4.340 -0.011 0.000 0.278 663 R C -0.550 175.802 176.300 0.087 0.000 1.010 663 R CA -0.692 55.440 56.100 0.054 0.000 0.896 663 R CB 2.403 32.665 30.300 -0.063 0.000 1.211 663 R HN 0.751 nan 8.270 nan 0.000 0.456 664 G N 0.912 109.775 108.800 0.105 0.000 2.400 664 G HA2 0.587 4.540 3.960 -0.011 0.000 0.333 664 G HA3 0.587 4.540 3.960 -0.011 0.000 0.333 664 G C -1.152 173.825 174.900 0.129 0.000 1.143 664 G CA -0.385 44.795 45.100 0.133 0.000 0.914 664 G HN 0.267 nan 8.290 nan 0.000 0.480 665 V N 1.537 121.526 119.914 0.124 0.000 2.709 665 V HA 0.407 4.520 4.120 -0.011 0.000 0.308 665 V C -1.379 174.773 176.094 0.097 0.000 1.062 665 V CA -0.848 61.509 62.300 0.096 0.000 0.901 665 V CB 1.787 33.650 31.823 0.065 0.000 1.003 665 V HN 0.742 nan 8.190 nan 0.000 0.425 666 Y N 5.583 125.871 120.300 -0.019 0.000 2.341 666 Y HA 0.764 5.308 4.550 -0.010 0.000 0.337 666 Y C -0.494 175.375 175.900 -0.052 0.000 1.014 666 Y CA -1.040 57.037 58.100 -0.038 0.000 1.111 666 Y CB 1.394 39.843 38.460 -0.019 0.000 1.194 666 Y HN 0.523 nan 8.280 nan 0.000 0.462 667 I N 5.767 125.790 120.570 -0.912 0.000 2.478 667 I HA 0.181 4.344 4.170 -0.011 0.000 0.287 667 I C 0.770 176.291 176.117 -0.994 0.000 1.042 667 I CA -0.535 60.347 61.300 -0.696 0.000 1.067 667 I CB 2.237 40.076 38.000 -0.269 0.000 1.233 667 I HN 0.773 nan 8.210 nan 0.000 0.431 668 S N 3.882 119.105 115.700 -0.796 0.000 2.382 668 S HA 0.085 4.548 4.470 -0.011 0.000 0.228 668 S C 0.862 175.356 174.600 -0.177 0.000 1.027 668 S CA 0.717 58.699 58.200 -0.364 0.000 0.991 668 S CB 0.004 63.143 63.200 -0.102 0.000 0.823 668 S HN 0.892 nan 8.310 nan 0.000 0.469 669 G N -0.401 108.322 108.800 -0.128 0.000 2.601 669 G HA2 0.570 4.523 3.960 -0.011 0.000 0.291 669 G HA3 0.570 4.523 3.960 -0.011 0.000 0.291 669 G C -2.001 172.848 174.900 -0.086 0.000 1.456 669 G CA -0.793 44.191 45.100 -0.193 0.000 0.804 669 G HN 0.490 nan 8.290 nan 0.000 0.499 670 L N 1.291 122.373 121.223 -0.234 0.000 2.420 670 L HA 0.423 4.756 4.340 -0.011 0.000 0.260 670 L C -2.554 174.210 176.870 -0.178 0.000 1.508 670 L CA -1.079 53.662 54.840 -0.164 0.000 0.835 670 L CB 1.867 43.861 42.059 -0.109 0.000 1.018 670 L HN 0.285 nan 8.230 nan 0.000 0.520 671 P HA -0.008 nan 4.420 nan 0.000 0.267 671 P C -1.191 176.132 177.300 0.039 0.000 1.200 671 P CA 0.188 63.261 63.100 -0.044 0.000 0.772 671 P CB 0.189 31.919 31.700 0.049 0.000 0.855 672 Y N 3.088 123.404 120.300 0.027 0.000 2.442 672 Y HA 0.359 4.902 4.550 -0.011 0.000 0.330 672 Y C 0.273 176.178 175.900 0.008 0.000 1.129 672 Y CA 0.695 58.803 58.100 0.013 0.000 1.365 672 Y CB 0.166 38.654 38.460 0.046 0.000 1.233 672 Y HN 0.534 nan 8.280 nan 0.000 0.529 673 S N 3.252 118.421 115.700 -0.884 0.000 2.611 673 S HA 0.665 5.128 4.470 -0.011 0.000 0.268 673 S C 0.236 174.387 174.600 -0.748 0.000 1.156 673 S CA -0.603 57.088 58.200 -0.848 0.000 0.817 673 S CB 0.785 63.762 63.200 -0.372 0.000 1.122 673 S HN 0.977 nan 8.310 nan 0.000 0.466 674 A N 1.249 123.785 122.820 -0.473 0.000 1.883 674 A HA 0.221 4.534 4.320 -0.011 0.000 0.217 674 A C 2.350 179.827 177.584 -0.180 0.000 1.186 674 A CA 2.366 54.255 52.037 -0.248 0.000 0.624 674 A CB -1.699 17.217 19.000 -0.141 0.000 0.822 674 A HN 1.705 nan 8.150 nan 0.000 0.444 675 A N -0.055 122.654 122.820 -0.185 0.000 1.902 675 A HA -0.199 4.114 4.320 -0.011 0.000 0.217 675 A C 1.905 179.392 177.584 -0.162 0.000 1.181 675 A CA 1.961 53.904 52.037 -0.156 0.000 0.623 675 A CB -0.592 18.312 19.000 -0.161 0.000 0.818 675 A HN 0.540 nan 8.150 nan 0.000 0.443 676 N N 0.033 118.613 118.700 -0.200 0.000 2.300 676 N HA 0.042 4.775 4.740 -0.011 0.000 0.179 676 N C 1.761 177.218 175.510 -0.089 0.000 1.016 676 N CA 1.255 54.203 53.050 -0.172 0.000 0.876 676 N CB -0.458 37.912 38.487 -0.194 0.000 0.979 676 N HN 0.449 nan 8.380 nan 0.000 0.432 677 A N 0.877 123.653 122.820 -0.073 0.000 1.930 677 A HA -0.099 4.215 4.320 -0.011 0.000 0.217 677 A C 2.258 179.867 177.584 0.042 0.000 1.175 677 A CA 1.387 53.447 52.037 0.038 0.000 0.627 677 A CB -0.332 18.739 19.000 0.120 0.000 0.815 677 A HN 0.155 nan 8.150 nan 0.000 0.443 678 R N -0.316 120.187 120.500 0.005 0.000 2.075 678 R HA -0.039 4.294 4.340 -0.011 0.000 0.232 678 R C 1.842 178.150 176.300 0.013 0.000 1.126 678 R CA 1.592 57.709 56.100 0.029 0.000 0.963 678 R CB -0.996 29.299 30.300 -0.008 0.000 0.858 678 R HN 0.397 nan 8.270 nan 0.000 0.435 679 L N 0.155 121.356 121.223 -0.038 0.000 1.989 679 L HA -0.123 4.210 4.340 -0.011 0.000 0.211 679 L C 2.056 178.935 176.870 0.014 0.000 1.071 679 L CA 1.795 56.609 54.840 -0.044 0.000 0.749 679 L CB -0.823 41.182 42.059 -0.090 0.000 0.890 679 L HN 0.378 nan 8.230 nan 0.000 0.431 680 L N -0.187 121.049 121.223 0.022 0.000 1.989 680 L HA -0.254 4.079 4.340 -0.011 0.000 0.211 680 L C 2.483 179.418 176.870 0.109 0.000 1.071 680 L CA 2.245 57.112 54.840 0.046 0.000 0.749 680 L CB -0.998 41.079 42.059 0.030 0.000 0.890 680 L HN 0.530 nan 8.230 nan 0.000 0.431 681 E N -0.647 119.645 120.200 0.153 0.000 2.086 681 E HA -0.304 4.039 4.350 -0.011 0.000 0.200 681 E C 2.318 179.189 176.600 0.452 0.000 1.012 681 E CA 1.746 58.319 56.400 0.287 0.000 0.812 681 E CB -0.082 29.814 29.700 0.327 0.000 0.743 681 E HN 0.506 nan 8.360 nan 0.000 0.453 682 R N -0.211 120.477 120.500 0.315 0.000 2.092 682 R HA -0.096 4.237 4.340 -0.011 0.000 0.231 682 R C 2.500 179.069 176.300 0.449 0.000 1.119 682 R CA 1.150 57.451 56.100 0.334 0.000 0.970 682 R CB -0.278 29.959 30.300 -0.105 0.000 0.864 682 R HN 0.111 nan 8.270 nan 0.000 0.440 683 V N 1.850 121.919 119.914 0.258 0.000 2.282 683 V HA -0.278 3.835 4.120 -0.011 0.000 0.249 683 V C 2.288 178.515 176.094 0.222 0.000 1.057 683 V CA 1.855 64.284 62.300 0.216 0.000 1.032 683 V CB -0.420 31.463 31.823 0.099 0.000 0.645 683 V HN 0.296 nan 8.190 nan 0.000 0.447 684 L N -1.873 119.455 121.223 0.175 0.000 2.093 684 L HA -0.139 4.194 4.340 -0.011 0.000 0.208 684 L C 2.362 179.246 176.870 0.023 0.000 1.085 684 L CA 1.531 56.398 54.840 0.044 0.000 0.755 684 L CB -0.596 41.423 42.059 -0.067 0.000 0.904 684 L HN 0.239 nan 8.230 nan 0.000 0.435 685 F N -1.295 118.785 119.950 0.216 0.000 2.163 685 F HA -0.211 4.309 4.527 -0.011 0.000 0.297 685 F C 2.522 178.346 175.800 0.040 0.000 1.094 685 F CA 1.387 59.499 58.000 0.187 0.000 1.290 685 F CB -0.563 38.655 39.000 0.363 0.000 1.017 685 F HN -0.068 nan 8.300 nan 0.000 0.483 686 Y N 0.425 120.798 120.300 0.122 0.000 2.200 686 Y HA -0.142 4.401 4.550 -0.011 0.000 0.290 686 Y C 2.330 178.148 175.900 -0.137 0.000 1.137 686 Y CA 1.294 59.319 58.100 -0.125 0.000 1.163 686 Y CB -0.569 37.909 38.460 0.030 0.000 0.988 686 Y HN -0.023 nan 8.280 nan 0.000 0.518 687 A N -0.768 122.078 122.820 0.043 0.000 2.014 687 A HA -0.106 4.207 4.320 -0.011 0.000 0.218 687 A C 2.149 179.642 177.584 -0.153 0.000 1.163 687 A CA 1.521 53.527 52.037 -0.051 0.000 0.652 687 A CB -1.019 18.017 19.000 0.060 0.000 0.808 687 A HN 0.504 nan 8.150 nan 0.000 0.449 688 S N -2.177 113.462 115.700 -0.102 0.000 2.634 688 S HA 0.086 4.549 4.470 -0.011 0.000 0.221 688 S C 0.481 175.071 174.600 -0.017 0.000 0.952 688 S CA 0.304 58.467 58.200 -0.062 0.000 0.930 688 S CB -0.568 62.606 63.200 -0.043 0.000 0.780 688 S HN 0.569 nan 8.310 nan 0.000 0.498 689 H N 0.571 119.534 119.070 -0.177 0.000 2.820 689 H HA -0.138 4.411 4.556 -0.011 0.000 0.295 689 H C -0.489 174.767 175.328 -0.120 0.000 1.187 689 H CA 1.076 56.999 56.048 -0.208 0.000 1.144 689 H CB -2.059 27.600 29.762 -0.172 0.000 1.354 689 H HN 0.676 nan 8.280 nan 0.000 0.395 690 N N 0.101 118.814 118.700 0.020 0.000 2.401 690 N HA 0.051 4.784 4.740 -0.011 0.000 0.264 690 N C 1.034 176.656 175.510 0.187 0.000 1.238 690 N CA -0.147 52.990 53.050 0.145 0.000 0.889 690 N CB 0.559 39.184 38.487 0.230 0.000 1.196 690 N HN 0.320 nan 8.380 nan 0.000 0.511 691 E N 0.701 120.855 120.200 -0.076 0.000 2.085 691 E HA -0.247 4.097 4.350 -0.011 0.000 0.194 691 E C 1.432 178.031 176.600 -0.001 0.000 0.994 691 E CA 1.406 57.654 56.400 -0.254 0.000 0.801 691 E CB -0.066 29.267 29.700 -0.610 0.000 0.743 691 E HN 0.485 nan 8.360 nan 0.000 0.453 692 D N 0.784 121.189 120.400 0.009 0.000 2.263 692 D HA -0.213 4.420 4.640 -0.011 0.000 0.208 692 D C 1.580 177.914 176.300 0.057 0.000 0.971 692 D CA 1.112 55.132 54.000 0.034 0.000 0.867 692 D CB -0.108 40.700 40.800 0.015 0.000 0.929 692 D HN 0.149 nan 8.370 nan 0.000 0.492 693 K N -1.470 119.000 120.400 0.116 0.000 2.379 693 K HA -0.030 4.283 4.320 -0.011 0.000 0.194 693 K C 1.748 178.355 176.600 0.011 0.000 1.031 693 K CA -0.221 56.151 56.287 0.143 0.000 1.037 693 K CB -0.199 32.469 32.500 0.280 0.000 0.824 693 K HN 0.084 nan 8.250 nan 0.000 0.516 694 Y N 0.808 120.917 120.300 -0.318 0.000 2.128 694 Y HA -0.256 4.288 4.550 -0.011 0.000 0.284 694 Y C 1.913 177.532 175.900 -0.468 0.000 1.154 694 Y CA 1.930 59.502 58.100 -0.880 0.000 1.149 694 Y CB -0.339 37.833 38.460 -0.480 0.000 0.976 694 Y HN 0.113 nan 8.280 nan 0.000 0.505 695 A N 1.164 123.837 122.820 -0.245 0.000 1.933 695 A HA 0.093 4.406 4.320 -0.011 0.000 0.218 695 A C 1.621 178.962 177.584 -0.405 0.000 1.175 695 A CA 0.757 52.627 52.037 -0.279 0.000 0.628 695 A CB -1.568 17.380 19.000 -0.087 0.000 0.814 695 A HN 0.561 nan 8.150 nan 0.000 0.444 696 A N -1.325 121.260 122.820 -0.391 0.000 2.537 696 A HA 0.306 4.619 4.320 -0.011 0.000 0.260 696 A C 0.110 177.405 177.584 -0.481 0.000 1.082 696 A CA 0.369 52.060 52.037 -0.576 0.000 0.765 696 A CB -1.470 17.269 19.000 -0.435 0.000 1.019 696 A HN 0.984 nan 8.150 nan 0.000 0.507 697 W N 0.803 121.923 121.300 -0.299 0.000 5.158 697 W HA -0.204 4.449 4.660 -0.011 0.000 0.393 697 W C 0.649 176.990 176.519 -0.297 0.000 1.508 697 W CA 0.502 57.651 57.345 -0.328 0.000 0.901 697 W CB -2.180 27.122 29.460 -0.262 0.000 2.676 697 W HN 1.151 nan 8.180 nan 0.000 1.392 698 S N -1.043 114.525 115.700 -0.220 0.000 2.566 698 S HA 0.801 5.264 4.470 -0.011 0.000 0.298 698 S C -0.270 174.230 174.600 -0.167 0.000 1.083 698 S CA -0.387 57.656 58.200 -0.262 0.000 0.978 698 S CB 2.219 65.091 63.200 -0.548 0.000 1.073 698 S HN 0.509 nan 8.310 nan 0.000 0.491 699 S N 1.078 116.709 115.700 -0.114 0.000 2.480 699 S HA 0.386 4.849 4.470 -0.011 0.000 0.286 699 S C 1.293 175.871 174.600 -0.035 0.000 1.180 699 S CA -0.072 58.093 58.200 -0.060 0.000 1.075 699 S CB 0.810 63.977 63.200 -0.054 0.000 0.996 699 S HN 1.134 nan 8.310 nan 0.000 0.487 700 S N 4.057 119.751 115.700 -0.010 0.000 2.382 700 S HA -0.087 4.376 4.470 -0.011 0.000 0.228 700 S C 0.831 175.432 174.600 0.001 0.000 1.027 700 S CA 0.559 58.761 58.200 0.003 0.000 0.991 700 S CB -0.651 62.554 63.200 0.010 0.000 0.823 700 S HN 0.753 nan 8.310 nan 0.000 0.469 701 N N 2.881 121.583 118.700 0.002 0.000 2.430 701 N HA 0.308 5.041 4.740 -0.011 0.000 0.265 701 N C -2.346 173.157 175.510 -0.012 0.000 1.100 701 N CA -2.180 50.867 53.050 -0.004 0.000 0.961 701 N CB 1.490 39.980 38.487 0.005 0.000 1.075 701 N HN -0.003 nan 8.380 nan 0.000 0.478 702 P HA -0.029 nan 4.420 nan 0.000 0.226 702 P C 0.514 177.798 177.300 -0.026 0.000 1.153 702 P CA 0.845 63.931 63.100 -0.023 0.000 0.777 702 P CB 0.409 32.084 31.700 -0.041 0.000 0.794 703 E N -1.237 118.948 120.200 -0.026 0.000 2.409 703 E HA -0.055 4.288 4.350 -0.011 0.000 0.198 703 E C 0.377 176.968 176.600 -0.016 0.000 1.024 703 E CA 0.570 56.958 56.400 -0.021 0.000 0.861 703 E CB -0.472 29.219 29.700 -0.015 0.000 0.788 703 E HN 0.289 nan 8.360 nan 0.000 0.521 704 C N 0.586 119.872 119.300 -0.023 0.000 2.529 704 C HA 0.541 4.994 4.460 -0.011 0.000 0.329 704 C C 0.323 175.286 174.990 -0.044 0.000 1.194 704 C CA -0.887 58.106 59.018 -0.041 0.000 1.779 704 C CB 1.634 29.339 27.740 -0.059 0.000 2.322 704 C HN 0.171 nan 8.230 nan 0.000 0.500 705 E N 0.109 120.272 120.200 -0.061 0.000 2.336 705 E HA 0.674 5.017 4.350 -0.011 0.000 0.267 705 E C -1.501 175.053 176.600 -0.077 0.000 0.906 705 E CA -0.582 55.786 56.400 -0.054 0.000 0.781 705 E CB 2.178 31.857 29.700 -0.035 0.000 1.261 705 E HN 0.387 nan 8.360 nan 0.000 0.436 706 V N 1.128 121.009 119.914 -0.054 0.000 2.555 706 V HA 0.721 4.834 4.120 -0.011 0.000 0.302 706 V C -0.638 175.434 176.094 -0.035 0.000 1.038 706 V CA -0.633 61.648 62.300 -0.032 0.000 0.887 706 V CB 1.517 33.333 31.823 -0.011 0.000 0.991 706 V HN 0.762 nan 8.190 nan 0.000 0.434 707 A N 3.012 125.809 122.820 -0.038 0.000 2.343 707 A HA 0.686 4.999 4.320 -0.011 0.000 0.316 707 A C -0.866 176.605 177.584 -0.188 0.000 1.104 707 A CA -0.535 51.407 52.037 -0.158 0.000 0.768 707 A CB 0.870 19.800 19.000 -0.117 0.000 1.213 707 A HN 1.004 nan 8.150 nan 0.000 0.456 708 H N 2.017 120.733 119.070 -0.590 0.000 2.481 708 H HA 0.600 5.149 4.556 -0.011 0.000 0.333 708 H C -1.801 173.066 175.328 -0.769 0.000 1.066 708 H CA -0.733 54.924 56.048 -0.652 0.000 1.209 708 H CB 0.789 29.924 29.762 -1.045 0.000 1.445 708 H HN 0.525 nan 8.280 nan 0.000 0.488 709 F N 7.288 127.082 119.950 -0.259 0.000 2.449 709 F HA 0.235 4.755 4.527 -0.011 0.000 0.344 709 F C -1.732 173.872 175.800 -0.327 0.000 1.180 709 F CA -1.972 55.872 58.000 -0.259 0.000 1.209 709 F CB 1.273 40.258 39.000 -0.026 0.000 1.440 709 F HN 0.518 nan 8.300 nan 0.000 0.526 710 P HA -0.254 nan 4.420 nan 0.000 0.216 710 P C 1.252 178.520 177.300 -0.055 0.000 1.150 710 P CA 1.664 64.580 63.100 -0.308 0.000 0.843 710 P CB 0.209 31.688 31.700 -0.370 0.000 0.787 711 E N 0.242 120.421 120.200 -0.035 0.000 2.516 711 E HA -0.152 4.191 4.350 -0.011 0.000 0.199 711 E C 1.003 177.619 176.600 0.026 0.000 1.069 711 E CA 0.827 57.231 56.400 0.007 0.000 0.876 711 E CB -0.455 29.249 29.700 0.007 0.000 0.843 711 E HN 0.400 nan 8.360 nan 0.000 0.530 712 Q N -0.092 119.738 119.800 0.049 0.000 2.140 712 Q HA 0.206 4.539 4.340 -0.011 0.000 0.227 712 Q C 0.682 176.728 176.000 0.077 0.000 0.798 712 Q CA 0.276 56.105 55.803 0.043 0.000 0.987 712 Q CB 0.713 29.461 28.738 0.017 0.000 1.161 712 Q HN 0.288 nan 8.270 nan 0.000 0.480 713 G N 2.519 111.384 108.800 0.108 0.000 2.325 713 G HA2 -0.155 3.798 3.960 -0.011 0.000 0.274 713 G HA3 -0.155 3.798 3.960 -0.011 0.000 0.274 713 G C -0.725 174.290 174.900 0.193 0.000 0.921 713 G CA 0.247 45.441 45.100 0.156 0.000 1.340 713 G HN 0.201 nan 8.290 nan 0.000 0.447 714 L N 1.331 122.716 121.223 0.269 0.000 2.705 714 L HA 0.664 4.997 4.340 -0.011 0.000 0.260 714 L C -0.470 176.693 176.870 0.488 0.000 0.921 714 L CA -1.393 53.646 54.840 0.332 0.000 0.948 714 L CB 1.659 43.889 42.059 0.284 0.000 1.427 714 L HN 0.677 nan 8.230 nan 0.000 0.432 715 Y N 2.408 122.902 120.300 0.323 0.000 2.536 715 Y HA 0.864 5.408 4.550 -0.011 0.000 0.347 715 Y C -0.334 175.636 175.900 0.116 0.000 1.000 715 Y CA -1.385 56.854 58.100 0.232 0.000 1.051 715 Y CB 1.452 39.952 38.460 0.067 0.000 1.259 715 Y HN 0.765 nan 8.280 nan 0.000 0.468 716 C N 2.170 121.419 119.300 -0.086 0.000 2.562 716 C HA 0.904 5.357 4.460 -0.011 0.000 0.332 716 C C -0.670 174.168 174.990 -0.253 0.000 1.201 716 C CA -1.080 57.579 59.018 -0.598 0.000 1.803 716 C CB 1.037 27.839 27.740 -1.564 0.000 2.328 716 C HN 1.052 nan 8.230 nan 0.000 0.500 717 V N 3.737 123.411 119.914 -0.400 0.000 2.604 717 V HA 0.777 4.891 4.120 -0.011 0.000 0.305 717 V C -0.355 175.540 176.094 -0.331 0.000 1.043 717 V CA -0.562 61.527 62.300 -0.351 0.000 0.888 717 V CB 1.594 33.069 31.823 -0.581 0.000 0.995 717 V HN 1.013 nan 8.190 nan 0.000 0.429 718 I N 3.125 123.563 120.570 -0.219 0.000 2.646 718 I HA 0.663 4.827 4.170 -0.011 0.000 0.299 718 I C -0.674 175.386 176.117 -0.095 0.000 1.036 718 I CA -0.818 60.394 61.300 -0.148 0.000 1.074 718 I CB 2.126 40.046 38.000 -0.133 0.000 1.258 718 I HN 0.546 nan 8.210 nan 0.000 0.430 719 N N 3.332 122.004 118.700 -0.047 0.000 2.457 719 N HA 0.291 5.024 4.740 -0.011 0.000 0.250 719 N C -0.342 175.167 175.510 -0.002 0.000 0.982 719 N CA -0.347 52.694 53.050 -0.014 0.000 0.941 719 N CB 0.672 39.169 38.487 0.017 0.000 1.120 719 N HN 0.733 nan 8.380 nan 0.000 0.505 720 N N 0.798 119.495 118.700 -0.004 0.000 2.449 720 N HA -0.021 4.712 4.740 -0.011 0.000 0.191 720 N C -0.105 175.425 175.510 0.033 0.000 1.161 720 N CA 0.242 53.298 53.050 0.010 0.000 0.863 720 N CB 0.345 38.845 38.487 0.022 0.000 0.980 720 N HN 0.639 nan 8.380 nan 0.000 0.458 721 T N -2.457 112.117 114.554 0.032 0.000 2.910 721 T HA 0.196 4.539 4.350 -0.011 0.000 0.287 721 T C 0.190 174.921 174.700 0.052 0.000 1.050 721 T CA -0.908 61.216 62.100 0.040 0.000 1.011 721 T CB 1.670 70.553 68.868 0.025 0.000 1.195 721 T HN -0.025 nan 8.240 nan 0.000 0.540 722 D N -0.533 119.899 120.400 0.052 0.000 2.325 722 D HA 0.102 4.735 4.640 -0.011 0.000 0.225 722 D C 0.179 176.504 176.300 0.042 0.000 1.096 722 D CA -0.088 53.945 54.000 0.055 0.000 0.844 722 D CB 0.066 40.901 40.800 0.059 0.000 0.925 722 D HN 0.341 nan 8.370 nan 0.000 0.513 723 Q N 0.631 120.452 119.800 0.036 0.000 2.248 723 Q HA 0.462 4.796 4.340 -0.011 0.000 0.263 723 Q C -2.574 173.446 176.000 0.033 0.000 1.007 723 Q CA -2.370 53.451 55.803 0.030 0.000 0.877 723 Q CB 1.027 29.779 28.738 0.022 0.000 1.315 723 Q HN 0.040 nan 8.270 nan 0.000 0.454 724 P HA 0.114 nan 4.420 nan 0.000 0.271 724 P C -0.754 176.567 177.300 0.035 0.000 1.216 724 P CA 0.009 63.131 63.100 0.037 0.000 0.776 724 P CB 0.645 32.366 31.700 0.035 0.000 0.881 725 Q N 1.907 121.732 119.800 0.042 0.000 2.285 725 Q HA 0.317 4.650 4.340 -0.011 0.000 0.269 725 Q C -0.642 175.393 176.000 0.058 0.000 1.030 725 Q CA -0.616 55.210 55.803 0.039 0.000 0.788 725 Q CB 2.722 31.476 28.738 0.027 0.000 1.266 725 Q HN 0.393 nan 8.270 nan 0.000 0.438 726 K N 1.060 121.493 120.400 0.056 0.000 2.172 726 K HA 0.630 4.944 4.320 -0.011 0.000 0.276 726 K C -0.168 176.479 176.600 0.078 0.000 1.013 726 K CA -0.232 56.100 56.287 0.076 0.000 0.913 726 K CB 1.435 33.969 32.500 0.058 0.000 1.055 726 K HN 0.435 nan 8.250 nan 0.000 0.461 727 T N 0.874 115.504 114.554 0.126 0.000 2.932 727 T HA 0.251 4.594 4.350 -0.011 0.000 0.318 727 T C -1.385 173.436 174.700 0.201 0.000 1.265 727 T CA -0.553 61.620 62.100 0.121 0.000 1.036 727 T CB 1.586 70.498 68.868 0.073 0.000 1.209 727 T HN 0.443 nan 8.240 nan 0.000 0.484 728 T N 3.055 117.691 114.554 0.136 0.000 2.770 728 T HA 0.569 4.912 4.350 -0.011 0.000 0.283 728 T C -0.359 174.412 174.700 0.118 0.000 0.988 728 T CA -0.422 61.765 62.100 0.145 0.000 0.957 728 T CB 1.121 70.028 68.868 0.064 0.000 0.930 728 T HN 0.459 nan 8.240 nan 0.000 0.443 729 V N 4.138 124.172 119.914 0.199 0.000 2.439 729 V HA 0.351 4.464 4.120 -0.011 0.000 0.282 729 V C 0.583 176.657 176.094 -0.032 0.000 1.039 729 V CA -0.531 61.817 62.300 0.081 0.000 0.913 729 V CB 1.588 33.528 31.823 0.196 0.000 0.983 729 V HN 0.924 nan 8.190 nan 0.000 0.460 730 T N 6.852 121.309 114.554 -0.163 0.000 2.767 730 T HA 0.578 4.921 4.350 -0.011 0.000 0.288 730 T C -0.134 174.262 174.700 -0.507 0.000 0.963 730 T CA -0.242 61.701 62.100 -0.262 0.000 1.019 730 T CB 0.826 69.549 68.868 -0.243 0.000 0.923 730 T HN 0.240 nan 8.240 nan 0.000 0.468 731 L N 1.936 122.814 121.223 -0.576 0.000 2.454 731 L HA 0.522 4.856 4.340 -0.011 0.000 0.256 731 L C 1.803 178.031 176.870 -1.070 0.000 1.136 731 L CA -0.220 53.983 54.840 -1.063 0.000 0.804 731 L CB 0.149 41.844 42.059 -0.606 0.000 1.181 731 L HN 0.731 nan 8.230 nan 0.000 0.469 732 A N 0.088 122.056 122.820 -1.420 0.000 2.121 732 A HA -0.140 4.173 4.320 -0.011 0.000 0.218 732 A C 1.381 178.756 177.584 -0.348 0.000 1.154 732 A CA 1.398 52.987 52.037 -0.746 0.000 0.679 732 A CB -0.801 17.973 19.000 -0.377 0.000 0.795 732 A HN 0.883 nan 8.150 nan 0.000 0.458 733 D N -2.478 117.746 120.400 -0.293 0.000 2.340 733 D HA 0.265 4.898 4.640 -0.011 0.000 0.220 733 D C 1.209 177.425 176.300 -0.140 0.000 1.039 733 D CA 0.938 54.849 54.000 -0.148 0.000 0.866 733 D CB -0.444 40.307 40.800 -0.080 0.000 0.913 733 D HN 0.698 nan 8.370 nan 0.000 0.523 734 G N -0.411 108.271 108.800 -0.197 0.000 2.194 734 G HA2 -0.258 3.695 3.960 -0.011 0.000 0.236 734 G HA3 -0.258 3.695 3.960 -0.011 0.000 0.236 734 G C 0.463 175.286 174.900 -0.128 0.000 0.987 734 G CA 0.243 45.254 45.100 -0.148 0.000 0.635 734 G HN 0.463 nan 8.290 nan 0.000 0.520 735 T N 1.883 116.357 114.554 -0.134 0.000 2.926 735 T HA 0.504 4.848 4.350 -0.011 0.000 0.307 735 T C 0.622 175.261 174.700 -0.102 0.000 1.059 735 T CA 0.950 62.994 62.100 -0.093 0.000 1.122 735 T CB 1.392 70.221 68.868 -0.064 0.000 0.972 735 T HN 1.099 nan 8.240 nan 0.000 0.545 736 T N -0.155 114.365 114.554 -0.055 0.000 2.848 736 T HA 0.630 4.973 4.350 -0.011 0.000 0.285 736 T C -0.933 173.767 174.700 -0.001 0.000 0.995 736 T CA -1.027 61.052 62.100 -0.034 0.000 0.970 736 T CB 1.916 70.766 68.868 -0.030 0.000 0.976 736 T HN 0.686 nan 8.240 nan 0.000 0.441 737 E N 2.013 122.240 120.200 0.044 0.000 2.248 737 E HA 0.464 4.807 4.350 -0.011 0.000 0.267 737 E C -1.464 175.122 176.600 -0.024 0.000 0.877 737 E CA -0.720 55.685 56.400 0.010 0.000 0.759 737 E CB 1.349 31.106 29.700 0.095 0.000 1.182 737 E HN 0.608 nan 8.360 nan 0.000 0.418 738 D N 2.872 123.155 120.400 -0.195 0.000 2.193 738 D HA 0.428 5.061 4.640 -0.011 0.000 0.249 738 D C -1.081 174.983 176.300 -0.394 0.000 1.034 738 D CA 0.117 54.038 54.000 -0.131 0.000 0.902 738 D CB 0.757 41.514 40.800 -0.072 0.000 1.182 738 D HN 0.253 nan 8.370 nan 0.000 0.436 739 F N 0.140 120.118 119.950 0.046 0.000 2.613 739 F HA 0.373 4.894 4.527 -0.011 0.000 0.314 739 F C -0.260 175.561 175.800 0.035 0.000 1.075 739 F CA -0.927 57.101 58.000 0.046 0.000 0.945 739 F CB 2.016 41.048 39.000 0.053 0.000 1.310 739 F HN 0.001 nan 8.300 nan 0.000 0.467 740 D N 2.444 122.982 120.400 0.229 0.000 2.386 740 D HA 0.399 5.033 4.640 -0.011 0.000 0.247 740 D C -1.475 174.908 176.300 0.138 0.000 1.336 740 D CA -0.074 54.011 54.000 0.141 0.000 0.976 740 D CB 1.065 41.917 40.800 0.087 0.000 1.257 740 D HN 0.381 nan 8.370 nan 0.000 0.570 741 L N 4.609 125.905 121.223 0.122 0.000 2.309 741 L HA 0.565 4.899 4.340 -0.011 0.000 0.282 741 L C -1.829 175.087 176.870 0.077 0.000 1.036 741 L CA -1.606 53.295 54.840 0.102 0.000 0.806 741 L CB 1.780 43.883 42.059 0.073 0.000 1.220 741 L HN 0.193 nan 8.230 nan 0.000 0.429 742 P HA -0.016 nan 4.420 nan 0.000 0.274 742 P C -0.731 176.606 177.300 0.062 0.000 1.256 742 P CA -0.483 62.654 63.100 0.063 0.000 0.795 742 P CB 0.511 32.248 31.700 0.063 0.000 1.038 743 D N 0.714 121.144 120.400 0.050 0.000 3.264 743 D HA -0.159 4.474 4.640 -0.011 0.000 0.213 743 D C 0.112 176.458 176.300 0.077 0.000 1.112 743 D CA 1.279 55.310 54.000 0.053 0.000 0.777 743 D CB -0.536 40.286 40.800 0.037 0.000 1.156 743 D HN 0.358 nan 8.370 nan 0.000 0.556 744 S N 1.004 116.761 115.700 0.095 0.000 3.358 744 S HA -0.162 4.302 4.470 -0.011 0.000 0.309 744 S C 0.857 175.564 174.600 0.178 0.000 1.247 744 S CA 0.740 59.028 58.200 0.147 0.000 0.961 744 S CB -1.672 61.658 63.200 0.217 0.000 1.074 744 S HN 0.880 nan 8.310 nan 0.000 0.625 745 G N 0.137 109.012 108.800 0.126 0.000 2.606 745 G HA2 0.567 4.521 3.960 -0.011 0.000 0.252 745 G HA3 0.567 4.521 3.960 -0.011 0.000 0.252 745 G C -0.415 174.542 174.900 0.094 0.000 1.206 745 G CA -0.249 44.932 45.100 0.135 0.000 0.861 745 G HN 0.577 nan 8.290 nan 0.000 0.561 746 I N -0.015 120.615 120.570 0.100 0.000 2.686 746 I HA 0.689 4.852 4.170 -0.011 0.000 0.295 746 I C -0.520 175.602 176.117 0.008 0.000 1.114 746 I CA -0.968 60.332 61.300 0.000 0.000 1.038 746 I CB 2.082 40.111 38.000 0.049 0.000 1.238 746 I HN 0.711 nan 8.210 nan 0.000 0.420 747 A N 5.842 128.579 122.820 -0.138 0.000 2.449 747 A HA 0.741 5.055 4.320 -0.011 0.000 0.302 747 A C -2.241 175.229 177.584 -0.190 0.000 1.048 747 A CA -0.372 51.662 52.037 -0.004 0.000 0.708 747 A CB 0.888 19.991 19.000 0.171 0.000 1.274 747 A HN 0.710 nan 8.150 nan 0.000 0.410 748 W N 1.504 122.804 121.300 0.001 0.000 2.627 748 W HA 0.797 5.450 4.660 -0.011 0.000 0.339 748 W C 0.340 176.787 176.519 -0.121 0.000 1.058 748 W CA -0.284 57.008 57.345 -0.088 0.000 1.223 748 W CB 1.584 31.008 29.460 -0.059 0.000 1.389 748 W HN 0.564 nan 8.180 nan 0.000 0.541 749 R N 0.871 121.332 120.500 -0.066 0.000 2.799 749 R HA 0.360 4.694 4.340 -0.011 0.000 0.270 749 R C -0.324 175.964 176.300 -0.020 0.000 1.010 749 R CA -1.261 54.769 56.100 -0.117 0.000 0.916 749 R CB 1.437 31.556 30.300 -0.302 0.000 1.228 749 R HN 0.573 nan 8.270 nan 0.000 0.469 750 E N 0.000 120.255 120.200 0.092 0.000 2.725 750 E HA 0.000 4.343 4.350 -0.011 0.000 0.291 750 E CA 0.000 56.502 56.400 0.171 0.000 0.976 750 E CB 0.000 29.783 29.700 0.139 0.000 0.812 750 E HN 0.000 nan 8.360 nan 0.000 0.440