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 2zuw_1_A DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NXXXXXXDEA 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 DSGIAWREAL DATA SEQUENCE E 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 0.000 174.580 174.600 -0.033 0.000 1.055 3 S CA 0.000 58.181 58.200 -0.031 0.000 1.107 3 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 4 T N -0.198 114.341 114.554 -0.025 0.000 2.885 4 T HA 0.697 5.052 4.350 0.009 0.000 0.322 4 T C -0.274 174.423 174.700 -0.005 0.000 1.387 4 T CA 1.055 63.140 62.100 -0.025 0.000 1.041 4 T CB 0.795 69.646 68.868 -0.028 0.000 1.287 4 T HN 2.292 nan 8.240 nan 0.000 0.491 5 G N 2.093 110.900 108.800 0.013 0.000 2.422 5 G HA2 0.107 4.072 3.960 0.009 0.000 0.607 5 G HA3 0.107 4.072 3.960 0.009 0.000 0.607 5 G C -0.470 174.478 174.900 0.080 0.000 1.270 5 G CA 0.033 45.155 45.100 0.037 0.000 0.992 5 G HN 1.117 nan 8.290 nan 0.000 0.499 6 R N -2.006 118.528 120.500 0.057 0.000 3.627 6 R HA -0.217 4.129 4.340 0.009 0.000 0.281 6 R C -0.183 176.134 176.300 0.027 0.000 1.140 6 R CA 1.545 57.680 56.100 0.059 0.000 0.761 6 R CB -1.711 28.681 30.300 0.154 0.000 1.181 6 R HN 1.295 nan 8.270 nan 0.000 0.472 7 F N -0.670 119.209 119.950 -0.119 0.000 2.607 7 F HA 0.277 4.808 4.527 0.008 0.000 0.322 7 F C -0.546 175.196 175.800 -0.097 0.000 1.176 7 F CA -0.509 57.401 58.000 -0.151 0.000 0.977 7 F CB 1.914 40.843 39.000 -0.118 0.000 1.242 7 F HN -0.175 nan 8.300 nan 0.000 0.465 8 T N 7.130 121.460 114.554 -0.373 0.000 2.758 8 T HA 0.443 4.799 4.350 0.009 0.000 0.285 8 T C -0.983 173.586 174.700 -0.218 0.000 0.981 8 T CA -0.357 61.558 62.100 -0.307 0.000 0.965 8 T CB 1.149 69.732 68.868 -0.474 0.000 0.927 8 T HN 0.511 nan 8.240 nan 0.000 0.448 9 L N 7.235 128.512 121.223 0.091 0.000 2.289 9 L HA 0.567 4.913 4.340 0.009 0.000 0.285 9 L C -2.347 174.606 176.870 0.137 0.000 1.049 9 L CA -2.005 53.013 54.840 0.297 0.000 0.804 9 L CB 1.079 43.383 42.059 0.407 0.000 1.195 9 L HN 0.301 nan 8.230 nan 0.000 0.428 10 P HA 0.349 nan 4.420 nan 0.000 0.282 10 P C -1.501 175.901 177.300 0.171 0.000 1.249 10 P CA -0.320 62.841 63.100 0.103 0.000 0.806 10 P CB 1.529 33.253 31.700 0.040 0.000 0.984 11 S N 0.592 116.373 115.700 0.135 0.000 2.794 11 S HA 0.780 5.255 4.470 0.009 0.000 0.299 11 S C -0.828 173.863 174.600 0.150 0.000 1.179 11 S CA -0.795 57.512 58.200 0.177 0.000 0.838 11 S CB 2.044 65.350 63.200 0.177 0.000 1.206 11 S HN 0.633 nan 8.310 nan 0.000 0.523 12 E N -0.559 119.748 120.200 0.180 0.000 2.445 12 E HA 0.428 4.784 4.350 0.009 0.000 0.279 12 E C -1.589 175.102 176.600 0.152 0.000 1.018 12 E CA -1.140 55.346 56.400 0.143 0.000 0.816 12 E CB 0.943 30.712 29.700 0.115 0.000 1.356 12 E HN 0.640 nan 8.360 nan 0.000 0.462 13 E N 0.586 120.853 120.200 0.112 0.000 2.415 13 E HA 0.078 4.433 4.350 0.009 0.000 0.262 13 E C -0.658 176.014 176.600 0.120 0.000 1.038 13 E CA 0.224 56.685 56.400 0.101 0.000 0.921 13 E CB -0.047 29.696 29.700 0.071 0.000 0.950 13 E HN 0.589 nan 8.360 nan 0.000 0.438 14 N N 0.917 119.691 118.700 0.124 0.000 2.738 14 N HA -0.234 4.511 4.740 0.009 0.000 0.249 14 N C -0.788 174.891 175.510 0.280 0.000 1.047 14 N CA 0.103 53.237 53.050 0.140 0.000 0.707 14 N CB -0.684 37.860 38.487 0.095 0.000 0.937 14 N HN 0.384 nan 8.380 nan 0.000 0.545 15 F N -0.984 118.972 119.950 0.009 0.000 2.944 15 F HA 0.515 5.047 4.527 0.009 0.000 0.332 15 F C 1.500 177.295 175.800 -0.007 0.000 1.215 15 F CA 0.067 58.069 58.000 0.002 0.000 1.079 15 F CB -0.057 38.953 39.000 0.018 0.000 1.272 15 F HN 0.137 nan 8.300 nan 0.000 0.509 16 A N -0.044 122.782 122.820 0.010 0.000 1.892 16 A HA -0.179 4.147 4.320 0.009 0.000 0.218 16 A C 2.231 179.725 177.584 -0.150 0.000 1.188 16 A CA 2.144 54.152 52.037 -0.050 0.000 0.631 16 A CB -0.319 18.669 19.000 -0.019 0.000 0.822 16 A HN 0.312 nan 8.150 nan 0.000 0.447 17 E N -0.345 119.738 120.200 -0.194 0.000 2.031 17 E HA -0.205 4.151 4.350 0.009 0.000 0.193 17 E C 2.052 178.456 176.600 -0.326 0.000 0.994 17 E CA 1.697 57.964 56.400 -0.222 0.000 0.800 17 E CB -0.329 29.260 29.700 -0.186 0.000 0.752 17 E HN 0.546 nan 8.360 nan 0.000 0.447 18 K N 0.594 120.652 120.400 -0.570 0.000 2.097 18 K HA -0.100 4.225 4.320 0.009 0.000 0.205 18 K C 2.156 178.467 176.600 -0.482 0.000 1.050 18 K CA 1.836 57.722 56.287 -0.670 0.000 0.938 18 K CB -0.757 30.990 32.500 -1.255 0.000 0.718 18 K HN 0.203 nan 8.250 nan 0.000 0.442 19 T N -1.016 113.309 114.554 -0.381 0.000 2.777 19 T HA -0.136 4.220 4.350 0.009 0.000 0.266 19 T C 1.936 176.539 174.700 -0.163 0.000 1.040 19 T CA 1.592 63.594 62.100 -0.164 0.000 1.141 19 T CB -0.262 68.607 68.868 0.002 0.000 0.868 19 T HN 0.336 nan 8.240 nan 0.000 0.444 20 K N 0.612 120.916 120.400 -0.161 0.000 2.032 20 K HA -0.180 4.145 4.320 0.009 0.000 0.209 20 K C 2.453 178.949 176.600 -0.172 0.000 1.048 20 K CA 1.856 58.062 56.287 -0.135 0.000 0.927 20 K CB -0.260 32.170 32.500 -0.116 0.000 0.712 20 K HN 0.643 nan 8.250 nan 0.000 0.441 21 E N 0.512 120.580 120.200 -0.220 0.000 2.031 21 E HA -0.193 4.163 4.350 0.009 0.000 0.193 21 E C 2.131 178.537 176.600 -0.324 0.000 0.994 21 E CA 1.201 57.457 56.400 -0.240 0.000 0.800 21 E CB -0.062 29.490 29.700 -0.247 0.000 0.752 21 E HN 0.330 nan 8.360 nan 0.000 0.447 22 L N 0.476 121.439 121.223 -0.434 0.000 2.083 22 L HA -0.149 4.196 4.340 0.009 0.000 0.209 22 L C 2.719 179.239 176.870 -0.583 0.000 1.083 22 L CA 0.943 55.332 54.840 -0.751 0.000 0.752 22 L CB -0.509 40.991 42.059 -0.931 0.000 0.899 22 L HN 0.224 nan 8.230 nan 0.000 0.433 23 A N 0.431 123.078 122.820 -0.288 0.000 1.883 23 A HA -0.284 4.041 4.320 0.009 0.000 0.217 23 A C 2.209 179.710 177.584 -0.138 0.000 1.186 23 A CA 2.127 54.089 52.037 -0.126 0.000 0.624 23 A CB -0.502 18.463 19.000 -0.058 0.000 0.822 23 A HN 0.466 nan 8.150 nan 0.000 0.444 24 E N -0.466 119.637 120.200 -0.161 0.000 2.072 24 E HA -0.146 4.210 4.350 0.009 0.000 0.191 24 E C 1.746 178.260 176.600 -0.143 0.000 0.985 24 E CA 1.239 57.561 56.400 -0.130 0.000 0.801 24 E CB -0.420 29.207 29.700 -0.121 0.000 0.750 24 E HN 0.355 nan 8.360 nan 0.000 0.452 25 L N -0.472 120.619 121.223 -0.220 0.000 2.046 25 L HA -0.077 4.268 4.340 0.009 0.000 0.208 25 L C 1.504 178.353 176.870 -0.036 0.000 1.077 25 L CA 1.437 56.166 54.840 -0.185 0.000 0.747 25 L CB -0.341 41.513 42.059 -0.341 0.000 0.896 25 L HN 0.339 nan 8.230 nan 0.000 0.432 26 W N -0.360 120.751 121.300 -0.314 0.000 3.278 26 W HA 0.438 5.104 4.660 0.010 0.000 0.308 26 W C 1.512 177.650 176.519 -0.635 0.000 1.253 26 W CA 0.193 57.192 57.345 -0.577 0.000 1.759 26 W CB -1.114 27.828 29.460 -0.863 0.000 1.093 26 W HN 0.306 nan 8.180 nan 0.000 0.648 27 G N 1.248 109.950 108.800 -0.164 0.000 2.272 27 G HA2 -0.064 3.902 3.960 0.009 0.000 0.280 27 G HA3 -0.064 3.902 3.960 0.009 0.000 0.280 27 G C 0.463 175.302 174.900 -0.100 0.000 1.067 27 G CA 0.012 45.035 45.100 -0.129 0.000 0.902 27 G HN 0.438 nan 8.290 nan 0.000 0.500 28 A N 0.059 122.842 122.820 -0.062 0.000 2.440 28 A HA 0.560 4.885 4.320 0.009 0.000 0.251 28 A C 1.190 178.831 177.584 0.095 0.000 1.089 28 A CA 0.685 52.805 52.037 0.139 0.000 0.779 28 A CB 0.400 19.556 19.000 0.260 0.000 1.022 28 A HN 0.816 nan 8.150 nan 0.000 0.492 29 D N 0.304 120.771 120.400 0.112 0.000 2.469 29 D HA 0.424 5.069 4.640 0.009 0.000 0.213 29 D C 0.138 176.473 176.300 0.059 0.000 1.135 29 D CA 0.702 54.740 54.000 0.063 0.000 0.834 29 D CB 0.217 41.044 40.800 0.045 0.000 1.009 29 D HN 0.624 nan 8.370 nan 0.000 0.507 30 A N 0.184 123.029 122.820 0.042 0.000 2.475 30 A HA 0.720 5.045 4.320 0.009 0.000 0.301 30 A C -1.291 176.242 177.584 -0.084 0.000 1.059 30 A CA -0.761 51.251 52.037 -0.043 0.000 0.710 30 A CB 1.442 20.321 19.000 -0.201 0.000 1.288 30 A HN 0.134 nan 8.150 nan 0.000 0.408 31 I N 1.405 121.927 120.570 -0.079 0.000 2.498 31 I HA 0.466 4.642 4.170 0.009 0.000 0.290 31 I C -0.025 176.055 176.117 -0.060 0.000 1.032 31 I CA -0.605 60.672 61.300 -0.039 0.000 1.073 31 I CB 1.948 39.971 38.000 0.038 0.000 1.251 31 I HN 0.604 nan 8.210 nan 0.000 0.426 32 R N 4.036 124.500 120.500 -0.060 0.000 2.393 32 R HA 0.386 4.731 4.340 0.009 0.000 0.310 32 R C -0.642 175.695 176.300 0.060 0.000 0.968 32 R CA -0.621 55.475 56.100 -0.006 0.000 0.867 32 R CB 1.596 31.854 30.300 -0.070 0.000 1.124 32 R HN 0.581 nan 8.270 nan 0.000 0.450 41 E N 1.457 121.676 120.200 0.032 0.000 2.045 41 E HA 0.219 4.574 4.350 0.009 0.000 0.190 41 E C 1.526 178.133 176.600 0.012 0.000 0.968 41 E CA 1.893 58.304 56.400 0.019 0.000 0.813 41 E CB -0.343 29.366 29.700 0.015 0.000 0.780 41 E HN 0.368 nan 8.360 nan 0.000 0.455 42 A N 0.863 123.688 122.820 0.009 0.000 2.119 42 A HA 0.022 4.348 4.320 0.009 0.000 0.216 42 A C 2.344 179.928 177.584 -0.001 0.000 1.152 42 A CA 1.359 53.395 52.037 -0.001 0.000 0.708 42 A CB -0.823 18.171 19.000 -0.010 0.000 0.805 42 A HN 0.334 nan 8.150 nan 0.000 0.460 43 V N -2.473 117.447 119.914 0.011 0.000 2.379 43 V HA -0.125 4.000 4.120 0.009 0.000 0.245 43 V C 2.031 178.136 176.094 0.019 0.000 1.044 43 V CA 1.710 64.019 62.300 0.016 0.000 1.036 43 V CB -0.855 30.991 31.823 0.037 0.000 0.664 43 V HN 0.224 nan 8.190 nan 0.000 0.453 44 L N 1.280 122.516 121.223 0.021 0.000 2.265 44 L HA 0.081 4.426 4.340 0.009 0.000 0.215 44 L C 2.755 179.631 176.870 0.010 0.000 1.117 44 L CA 1.956 56.807 54.840 0.019 0.000 0.782 44 L CB -1.392 40.676 42.059 0.015 0.000 0.914 44 L HN 0.482 nan 8.230 nan 0.000 0.441 45 A N -1.280 121.543 122.820 0.005 0.000 2.119 45 A HA -0.039 4.287 4.320 0.009 0.000 0.217 45 A C 2.155 179.737 177.584 -0.003 0.000 1.153 45 A CA 0.719 52.755 52.037 -0.001 0.000 0.692 45 A CB -0.535 18.462 19.000 -0.006 0.000 0.799 45 A HN 0.400 nan 8.150 nan 0.000 0.458 46 L N -1.177 120.045 121.223 -0.001 0.000 2.465 46 L HA 0.074 4.420 4.340 0.009 0.000 0.224 46 L C 1.752 178.622 176.870 -0.001 0.000 1.145 46 L CA 0.684 55.521 54.840 -0.006 0.000 0.834 46 L CB -0.347 41.707 42.059 -0.008 0.000 0.944 46 L HN 0.564 nan 8.230 nan 0.000 0.451 47 G N -0.408 108.396 108.800 0.006 0.000 2.136 47 G HA2 -0.216 3.749 3.960 0.009 0.000 0.242 47 G HA3 -0.216 3.749 3.960 0.009 0.000 0.242 47 G C 0.111 175.023 174.900 0.020 0.000 0.989 47 G CA -0.234 44.872 45.100 0.010 0.000 0.682 47 G HN 0.131 nan 8.290 nan 0.000 0.522 48 K N 0.461 120.877 120.400 0.028 0.000 2.185 48 K HA 0.363 4.689 4.320 0.009 0.000 0.271 48 K C 0.706 177.345 176.600 0.064 0.000 1.013 48 K CA -0.727 55.586 56.287 0.042 0.000 0.943 48 K CB 0.936 33.461 32.500 0.042 0.000 0.998 48 K HN 0.318 nan 8.250 nan 0.000 0.468 49 K N 2.304 122.757 120.400 0.089 0.000 2.472 49 K HA 0.020 4.345 4.320 0.009 0.000 0.280 49 K C -0.246 176.471 176.600 0.195 0.000 1.028 49 K CA 0.025 56.399 56.287 0.145 0.000 1.045 49 K CB 0.313 32.926 32.500 0.189 0.000 0.902 49 K HN 0.329 nan 8.250 nan 0.000 0.478 50 I N 5.750 126.440 120.570 0.200 0.000 2.339 50 I HA 0.151 4.326 4.170 0.009 0.000 0.290 50 I C -0.439 175.877 176.117 0.332 0.000 0.994 50 I CA -0.665 60.761 61.300 0.210 0.000 1.191 50 I CB 0.587 38.657 38.000 0.116 0.000 1.343 50 I HN 0.440 nan 8.210 nan 0.000 0.458 51 Y N 4.808 125.148 120.300 0.067 0.000 2.323 51 Y HA 0.412 4.968 4.550 0.009 0.000 0.331 51 Y C 0.656 176.598 175.900 0.069 0.000 1.092 51 Y CA -0.964 57.176 58.100 0.066 0.000 1.150 51 Y CB 1.088 39.580 38.460 0.053 0.000 1.200 51 Y HN 0.453 nan 8.280 nan 0.000 0.472 52 N N 1.165 119.993 118.700 0.212 0.000 2.295 52 N HA 0.567 5.312 4.740 0.009 0.000 0.293 52 N C -1.180 174.347 175.510 0.029 0.000 1.040 52 N CA -0.552 52.612 53.050 0.190 0.000 0.840 52 N CB 2.218 40.918 38.487 0.355 0.000 1.468 52 N HN 0.734 nan 8.380 nan 0.000 0.478 53 A N 2.405 125.175 122.820 -0.083 0.000 2.440 53 A HA 0.252 4.577 4.320 0.009 0.000 0.251 53 A C -1.135 176.007 177.584 -0.737 0.000 1.089 53 A CA 0.333 52.126 52.037 -0.407 0.000 0.779 53 A CB 0.026 18.796 19.000 -0.382 0.000 1.022 53 A HN 0.673 nan 8.150 nan 0.000 0.492 54 Y N 1.253 120.895 120.300 -1.096 0.000 2.425 54 Y HA 0.591 5.146 4.550 0.009 0.000 0.344 54 Y C -1.346 173.970 175.900 -0.975 0.000 0.969 54 Y CA -1.086 56.328 58.100 -1.144 0.000 1.052 54 Y CB 1.760 39.521 38.460 -1.165 0.000 1.215 54 Y HN 0.549 nan 8.280 nan 0.000 0.451 55 F N 7.248 126.755 119.950 -0.739 0.000 2.453 55 F HA 0.407 4.939 4.527 0.009 0.000 0.358 55 F C -2.011 173.573 175.800 -0.361 0.000 1.129 55 F CA -2.523 55.230 58.000 -0.411 0.000 1.200 55 F CB 0.876 39.683 39.000 -0.321 0.000 1.431 55 F HN 0.397 nan 8.300 nan 0.000 0.503 56 P HA -0.161 nan 4.420 nan 0.000 0.216 56 P C 1.361 178.740 177.300 0.132 0.000 1.150 56 P CA 1.727 64.907 63.100 0.133 0.000 0.843 56 P CB 0.069 31.848 31.700 0.132 0.000 0.787 57 T N -4.045 110.444 114.554 -0.108 0.000 3.176 57 T HA 0.334 4.689 4.350 0.009 0.000 0.263 57 T C 0.487 174.496 174.700 -1.151 0.000 1.021 57 T CA -0.559 61.222 62.100 -0.532 0.000 0.905 57 T CB -0.290 68.425 68.868 -0.256 0.000 1.057 57 T HN 0.237 nan 8.240 nan 0.000 0.558 58 R N -1.216 118.876 120.500 -0.679 0.000 3.014 58 R HA 0.716 5.062 4.340 0.009 0.000 0.262 58 R C -0.328 175.990 176.300 0.030 0.000 1.066 58 R CA -0.684 55.174 56.100 -0.403 0.000 0.939 58 R CB -0.104 30.056 30.300 -0.234 0.000 1.372 58 R HN 0.392 nan 8.270 nan 0.000 0.431 59 A N -0.058 122.772 122.820 0.017 0.000 2.872 59 A HA -0.151 4.174 4.320 0.009 0.000 0.273 59 A C -0.547 176.881 177.584 -0.260 0.000 1.442 59 A CA 1.386 53.366 52.037 -0.094 0.000 0.801 59 A CB -2.410 16.493 19.000 -0.161 0.000 1.031 59 A HN 0.692 nan 8.150 nan 0.000 0.582 60 H N -1.070 118.266 119.070 0.443 0.000 2.946 60 H HA 0.156 4.718 4.556 0.009 0.000 0.217 60 H C 0.841 176.354 175.328 0.308 0.000 1.393 60 H CA -0.224 56.073 56.048 0.415 0.000 1.306 60 H CB -0.125 29.958 29.762 0.536 0.000 2.062 60 H HN 0.411 nan 8.280 nan 0.000 0.520 61 N N 1.077 119.946 118.700 0.282 0.000 2.258 61 N HA -0.167 4.578 4.740 0.009 0.000 0.187 61 N C 2.043 177.613 175.510 0.101 0.000 1.012 61 N CA 1.095 54.246 53.050 0.168 0.000 0.870 61 N CB 0.273 38.811 38.487 0.085 0.000 0.977 61 N HN 0.642 nan 8.380 nan 0.000 0.434 62 E N -0.207 120.078 120.200 0.142 0.000 2.268 62 E HA -0.188 4.168 4.350 0.009 0.000 0.195 62 E C 1.710 178.336 176.600 0.044 0.000 0.995 62 E CA 0.611 57.069 56.400 0.096 0.000 0.836 62 E CB -0.611 29.183 29.700 0.157 0.000 0.763 62 E HN 0.622 nan 8.360 nan 0.000 0.491 63 W N 0.951 122.119 121.300 -0.220 0.000 2.560 63 W HA 0.013 4.679 4.660 0.009 0.000 0.303 63 W C 1.846 178.215 176.519 -0.250 0.000 1.151 63 W CA 0.476 57.529 57.345 -0.487 0.000 1.426 63 W CB -0.264 28.276 29.460 -1.534 0.000 1.135 63 W HN 0.073 nan 8.180 nan 0.000 0.522 64 I N 2.344 122.749 120.570 -0.275 0.000 2.546 64 I HA -0.211 3.964 4.170 0.009 0.000 0.255 64 I C 2.624 178.610 176.117 -0.218 0.000 1.163 64 I CA 2.338 63.499 61.300 -0.232 0.000 1.457 64 I CB -0.644 37.471 38.000 0.192 0.000 1.092 64 I HN 0.054 nan 8.210 nan 0.000 0.434 65 T N -1.458 112.995 114.554 -0.170 0.000 2.897 65 T HA -0.162 4.194 4.350 0.009 0.000 0.271 65 T C 1.621 176.147 174.700 -0.289 0.000 1.084 65 T CA 1.451 63.441 62.100 -0.184 0.000 1.123 65 T CB -0.720 68.070 68.868 -0.129 0.000 0.865 65 T HN 0.401 nan 8.240 nan 0.000 0.496 66 L N -0.051 120.910 121.223 -0.437 0.000 2.607 66 L HA 0.291 4.636 4.340 0.009 0.000 0.228 66 L C 0.849 177.098 176.870 -1.034 0.000 1.123 66 L CA 0.184 54.626 54.840 -0.664 0.000 0.890 66 L CB -0.098 41.518 42.059 -0.738 0.000 1.103 66 L HN 0.381 nan 8.230 nan 0.000 0.468 67 H N -0.567 118.175 119.070 -0.545 0.000 2.947 67 H HA 0.231 4.792 4.556 0.009 0.000 0.222 67 H C 0.882 176.003 175.328 -0.345 0.000 1.414 67 H CA -0.276 55.477 56.048 -0.493 0.000 1.224 67 H CB 0.801 30.126 29.762 -0.727 0.000 2.100 67 H HN 0.095 nan 8.280 nan 0.000 0.524 68 M N 0.909 120.359 119.600 -0.250 0.000 2.549 68 M HA -0.083 4.403 4.480 0.009 0.000 0.260 68 M C 1.214 177.272 176.300 -0.403 0.000 1.076 68 M CA 0.989 56.120 55.300 -0.280 0.000 1.090 68 M CB -0.526 31.888 32.600 -0.310 0.000 1.418 68 M HN 0.381 nan 8.290 nan 0.000 0.486 69 D N -0.625 119.592 120.400 -0.304 0.000 2.328 69 D HA -0.072 4.573 4.640 0.009 0.000 0.226 69 D C 0.627 176.857 176.300 -0.116 0.000 1.066 69 D CA 0.379 54.245 54.000 -0.222 0.000 0.861 69 D CB -0.318 40.429 40.800 -0.088 0.000 0.912 69 D HN 0.406 nan 8.370 nan 0.000 0.521 70 E N 0.335 120.474 120.200 -0.101 0.000 2.548 70 E HA 0.050 4.406 4.350 0.009 0.000 0.206 70 E C 0.196 176.976 176.600 0.301 0.000 1.005 70 E CA -0.150 56.252 56.400 0.003 0.000 0.951 70 E CB 0.725 30.454 29.700 0.047 0.000 1.035 70 E HN 0.318 nan 8.360 nan 0.000 0.470 71 T N 0.408 115.096 114.554 0.224 0.000 2.856 71 T HA 0.186 4.542 4.350 0.009 0.000 0.306 71 T C -2.247 172.658 174.700 0.341 0.000 1.062 71 T CA -1.596 60.671 62.100 0.279 0.000 1.083 71 T CB 0.828 69.812 68.868 0.193 0.000 0.984 71 T HN -0.190 nan 8.240 nan 0.000 0.542 72 P HA 0.255 nan 4.420 nan 0.000 0.272 72 P C -0.708 176.694 177.300 0.170 0.000 1.230 72 P CA -0.409 62.838 63.100 0.245 0.000 0.788 72 P CB 0.543 32.367 31.700 0.207 0.000 0.949 73 Q N -0.615 119.228 119.800 0.071 0.000 2.528 73 Q HA 0.762 5.108 4.340 0.009 0.000 0.289 73 Q C -1.401 174.475 176.000 -0.205 0.000 1.091 73 Q CA -1.155 54.584 55.803 -0.107 0.000 0.797 73 Q CB 2.703 31.300 28.738 -0.234 0.000 1.466 73 Q HN 0.234 nan 8.270 nan 0.000 0.436 74 V N 0.594 120.304 119.914 -0.341 0.000 2.969 74 V HA 0.399 4.524 4.120 0.009 0.000 0.304 74 V C -1.978 173.817 176.094 -0.498 0.000 1.192 74 V CA -0.516 61.578 62.300 -0.343 0.000 0.962 74 V CB 1.698 33.396 31.823 -0.210 0.000 1.045 74 V HN 0.743 nan 8.190 nan 0.000 0.428 75 Y N 5.850 125.905 120.300 -0.408 0.000 2.377 75 Y HA 0.544 5.099 4.550 0.009 0.000 0.330 75 Y C 0.387 176.082 175.900 -0.342 0.000 1.108 75 Y CA 0.038 57.884 58.100 -0.423 0.000 1.308 75 Y CB 1.172 39.424 38.460 -0.346 0.000 1.216 75 Y HN 0.459 nan 8.280 nan 0.000 0.518 76 L N 4.822 125.767 121.223 -0.463 0.000 2.342 76 L HA 0.472 4.817 4.340 0.009 0.000 0.271 76 L C -1.191 175.532 176.870 -0.245 0.000 1.008 76 L CA -1.210 53.333 54.840 -0.494 0.000 0.818 76 L CB 1.953 43.173 42.059 -1.398 0.000 1.296 76 L HN 0.434 nan 8.230 nan 0.000 0.427 77 L N 2.017 123.366 121.223 0.210 0.000 2.313 77 L HA 0.492 4.837 4.340 0.009 0.000 0.283 77 L C 0.458 177.570 176.870 0.403 0.000 1.013 77 L CA 0.040 55.002 54.840 0.204 0.000 0.816 77 L CB 1.844 43.918 42.059 0.025 0.000 1.236 77 L HN 0.743 nan 8.230 nan 0.000 0.419 78 T N 0.376 115.130 114.554 0.332 0.000 2.754 78 T HA 0.299 4.655 4.350 0.009 0.000 0.286 78 T C 0.160 174.936 174.700 0.126 0.000 0.997 78 T CA -0.754 61.519 62.100 0.288 0.000 0.982 78 T CB 0.374 69.345 68.868 0.171 0.000 1.027 78 T HN 0.533 nan 8.240 nan 0.000 0.529 79 D N 0.532 120.967 120.400 0.058 0.000 2.378 79 D HA 0.165 4.810 4.640 0.009 0.000 0.238 79 D C 0.373 176.696 176.300 0.037 0.000 1.180 79 D CA 0.046 54.059 54.000 0.022 0.000 0.895 79 D CB 0.337 41.136 40.800 -0.002 0.000 1.192 79 D HN 0.451 nan 8.370 nan 0.000 0.438 80 R N 1.098 121.615 120.500 0.029 0.000 2.316 80 R HA 0.263 4.609 4.340 0.009 0.000 0.314 80 R C -0.270 176.061 176.300 0.052 0.000 1.069 80 R CA -0.328 55.793 56.100 0.035 0.000 0.959 80 R CB 0.551 30.861 30.300 0.018 0.000 0.987 80 R HN 0.266 nan 8.270 nan 0.000 0.446 81 I N 4.600 125.218 120.570 0.080 0.000 2.354 81 I HA 0.164 4.339 4.170 0.009 0.000 0.292 81 I C -0.132 176.066 176.117 0.134 0.000 0.989 81 I CA -1.124 60.230 61.300 0.090 0.000 1.188 81 I CB 1.220 39.265 38.000 0.075 0.000 1.342 81 I HN 0.445 nan 8.210 nan 0.000 0.457 82 L N 6.461 127.750 121.223 0.109 0.000 2.313 82 L HA 0.551 4.897 4.340 0.009 0.000 0.282 82 L C 0.410 177.325 176.870 0.075 0.000 1.092 82 L CA 0.079 54.996 54.840 0.129 0.000 0.831 82 L CB 0.819 42.961 42.059 0.138 0.000 1.159 82 L HN 0.726 nan 8.230 nan 0.000 0.442 83 A N 4.550 127.427 122.820 0.096 0.000 2.366 83 A HA 0.412 4.737 4.320 0.009 0.000 0.272 83 A C 0.498 177.859 177.584 -0.371 0.000 1.135 83 A CA -0.323 51.669 52.037 -0.074 0.000 0.804 83 A CB 0.126 19.120 19.000 -0.011 0.000 1.064 83 A HN 0.883 nan 8.150 nan 0.000 0.499 84 E N 0.929 120.842 120.200 -0.478 0.000 2.548 84 E HA 0.175 4.531 4.350 0.009 0.000 0.206 84 E C 0.031 176.236 176.600 -0.657 0.000 1.005 84 E CA 0.505 56.364 56.400 -0.902 0.000 0.951 84 E CB 0.309 29.696 29.700 -0.521 0.000 1.035 84 E HN 0.790 nan 8.360 nan 0.000 0.470 85 S N 0.010 115.450 115.700 -0.433 0.000 2.714 85 S HA 0.038 4.513 4.470 0.009 0.000 0.280 85 S C -0.331 174.144 174.600 -0.210 0.000 1.200 85 S CA -0.527 57.514 58.200 -0.265 0.000 0.900 85 S CB 0.666 63.769 63.200 -0.163 0.000 1.235 85 S HN 0.001 nan 8.310 nan 0.000 0.512 86 D N 1.014 121.328 120.400 -0.143 0.000 2.349 86 D HA 0.153 4.798 4.640 0.009 0.000 0.224 86 D C 0.870 177.091 176.300 -0.131 0.000 1.029 86 D CA 0.860 54.785 54.000 -0.125 0.000 0.879 86 D CB -0.589 40.163 40.800 -0.080 0.000 0.906 86 D HN 0.771 nan 8.370 nan 0.000 0.528 87 T N -3.221 111.254 114.554 -0.131 0.000 2.930 87 T HA 0.673 5.028 4.350 0.009 0.000 0.290 87 T C -0.518 174.099 174.700 -0.139 0.000 1.052 87 T CA -1.020 61.011 62.100 -0.115 0.000 1.017 87 T CB 2.346 71.176 68.868 -0.064 0.000 1.137 87 T HN 0.005 nan 8.240 nan 0.000 0.511 88 V N 0.635 120.479 119.914 -0.116 0.000 2.950 88 V HA 0.436 4.562 4.120 0.009 0.000 0.295 88 V C -2.128 173.949 176.094 -0.028 0.000 1.297 88 V CA -0.770 61.469 62.300 -0.102 0.000 0.962 88 V CB 2.301 34.008 31.823 -0.193 0.000 1.081 88 V HN 1.094 nan 8.190 nan 0.000 0.432 89 D N 5.795 126.201 120.400 0.009 0.000 2.217 89 D HA 0.601 5.247 4.640 0.009 0.000 0.243 89 D C -0.557 175.727 176.300 -0.027 0.000 1.054 89 D CA 0.142 54.153 54.000 0.019 0.000 0.838 89 D CB 2.268 43.121 40.800 0.087 0.000 1.162 89 D HN 0.514 nan 8.370 nan 0.000 0.472 90 I N 3.586 124.111 120.570 -0.075 0.000 2.420 90 I HA 0.209 4.385 4.170 0.009 0.000 0.282 90 I C -2.347 173.710 176.117 -0.100 0.000 1.019 90 I CA -2.052 59.208 61.300 -0.067 0.000 1.130 90 I CB 2.147 40.104 38.000 -0.072 0.000 1.262 90 I HN -0.049 nan 8.210 nan 0.000 0.454 91 P HA 0.153 nan 4.420 nan 0.000 0.271 91 P C 0.467 177.715 177.300 -0.088 0.000 1.216 91 P CA -0.132 62.929 63.100 -0.066 0.000 0.771 91 P CB 1.432 33.124 31.700 -0.014 0.000 0.864 92 L N 1.863 122.977 121.223 -0.181 0.000 2.162 92 L HA 0.061 4.406 4.340 0.009 0.000 0.205 92 L C 1.988 178.870 176.870 0.020 0.000 1.086 92 L CA 1.216 55.829 54.840 -0.378 0.000 0.778 92 L CB -0.398 41.117 42.059 -0.908 0.000 0.928 92 L HN 0.319 nan 8.230 nan 0.000 0.446 93 M N -1.123 118.535 119.600 0.096 0.000 2.313 93 M HA 0.082 4.568 4.480 0.009 0.000 0.273 93 M C 1.544 178.003 176.300 0.265 0.000 1.049 93 M CA 0.462 55.940 55.300 0.296 0.000 1.004 93 M CB 0.229 32.945 32.600 0.193 0.000 1.461 93 M HN 0.168 nan 8.290 nan 0.000 0.514 94 E N 0.539 120.826 120.200 0.145 0.000 2.204 94 E HA -0.116 4.240 4.350 0.009 0.000 0.195 94 E C 1.613 178.237 176.600 0.040 0.000 0.990 94 E CA 1.528 57.979 56.400 0.085 0.000 0.821 94 E CB 0.154 29.880 29.700 0.044 0.000 0.750 94 E HN 0.441 nan 8.360 nan 0.000 0.477 95 S N -0.474 115.198 115.700 -0.046 0.000 2.556 95 S HA 0.117 4.592 4.470 0.009 0.000 0.216 95 S C 0.160 174.517 174.600 -0.405 0.000 0.970 95 S CA -0.411 57.626 58.200 -0.272 0.000 0.912 95 S CB 0.098 63.037 63.200 -0.436 0.000 0.790 95 S HN -0.047 nan 8.310 nan 0.000 0.504 96 F N 0.825 120.866 119.950 0.151 0.000 2.561 96 F HA 0.544 5.077 4.527 0.009 0.000 0.321 96 F C -0.242 175.729 175.800 0.285 0.000 1.065 96 F CA -1.988 56.130 58.000 0.195 0.000 0.934 96 F CB 0.858 39.976 39.000 0.197 0.000 1.215 96 F HN 0.011 nan 8.300 nan 0.000 0.471 97 F N 2.482 122.642 119.950 0.349 0.000 2.487 97 F HA 0.347 4.880 4.527 0.011 0.000 0.364 97 F C 1.048 176.993 175.800 0.242 0.000 1.126 97 F CA -1.223 56.935 58.000 0.263 0.000 1.135 97 F CB 0.248 39.408 39.000 0.266 0.000 1.127 97 F HN 0.571 nan 8.300 nan 0.000 0.559 98 A N 4.871 127.840 122.820 0.247 0.000 2.121 98 A HA -0.088 4.237 4.320 0.009 0.000 0.218 98 A C 1.933 179.444 177.584 -0.121 0.000 1.154 98 A CA 1.052 53.135 52.037 0.077 0.000 0.679 98 A CB -0.453 18.623 19.000 0.125 0.000 0.795 98 A HN 0.743 nan 8.150 nan 0.000 0.458 99 E N -0.713 119.192 120.200 -0.492 0.000 2.358 99 E HA -0.160 4.195 4.350 0.009 0.000 0.195 99 E C 1.850 178.312 176.600 -0.231 0.000 1.010 99 E CA 0.957 57.085 56.400 -0.452 0.000 0.856 99 E CB 0.001 29.305 29.700 -0.660 0.000 0.795 99 E HN 0.864 nan 8.360 nan 0.000 0.504 100 Q N -0.035 119.592 119.800 -0.288 0.000 2.394 100 Q HA 0.126 4.471 4.340 0.009 0.000 0.218 100 Q C 0.091 176.115 176.000 0.041 0.000 0.907 100 Q CA 0.213 56.013 55.803 -0.005 0.000 0.919 100 Q CB 0.718 29.470 28.738 0.023 0.000 1.051 100 Q HN 0.087 nan 8.270 nan 0.000 0.538 101 L N 1.886 123.129 121.223 0.033 0.000 2.408 101 L HA 0.488 4.834 4.340 0.009 0.000 0.268 101 L C -1.245 175.666 176.870 0.069 0.000 0.986 101 L CA -0.816 54.043 54.840 0.031 0.000 0.820 101 L CB 2.223 44.262 42.059 -0.033 0.000 1.303 101 L HN -0.037 nan 8.230 nan 0.000 0.411 102 K N 1.941 122.403 120.400 0.103 0.000 2.464 102 K HA 0.682 5.007 4.320 0.009 0.000 0.253 102 K C -3.024 173.692 176.600 0.194 0.000 0.933 102 K CA -2.026 54.353 56.287 0.153 0.000 0.801 102 K CB 2.275 34.867 32.500 0.153 0.000 1.271 102 K HN 0.047 nan 8.250 nan 0.000 0.430 103 P HA -0.055 nan 4.420 nan 0.000 0.264 103 P C -0.976 176.481 177.300 0.261 0.000 1.193 103 P CA -0.190 63.075 63.100 0.276 0.000 0.763 103 P CB 0.367 32.181 31.700 0.190 0.000 0.810 104 N N 3.461 122.249 118.700 0.146 0.000 2.402 104 N HA 0.031 4.776 4.740 0.009 0.000 0.259 104 N C 0.692 176.363 175.510 0.268 0.000 1.167 104 N CA 0.184 53.225 53.050 -0.014 0.000 0.949 104 N CB 0.059 38.252 38.487 -0.489 0.000 1.212 104 N HN 0.239 nan 8.380 nan 0.000 0.493 105 R N 1.976 122.631 120.500 0.258 0.000 2.280 105 R HA 0.055 4.401 4.340 0.009 0.000 0.195 105 R C 0.477 176.842 176.300 0.109 0.000 0.935 105 R CA 0.192 56.392 56.100 0.167 0.000 1.033 105 R CB 0.463 30.850 30.300 0.145 0.000 0.964 105 R HN 0.551 nan 8.270 nan 0.000 0.489 106 D N 1.705 122.197 120.400 0.155 0.000 2.097 106 D HA -0.075 4.571 4.640 0.009 0.000 0.197 106 D C 0.620 176.970 176.300 0.082 0.000 0.984 106 D CA 0.946 55.019 54.000 0.121 0.000 0.826 106 D CB -0.011 40.895 40.800 0.176 0.000 0.973 106 D HN 0.123 nan 8.370 nan 0.000 0.460 107 A N 1.435 124.292 122.820 0.060 0.000 2.354 107 A HA 0.080 4.405 4.320 0.009 0.000 0.281 107 A C -0.151 177.516 177.584 0.137 0.000 1.174 107 A CA -0.411 51.664 52.037 0.063 0.000 0.828 107 A CB 0.433 19.330 19.000 -0.172 0.000 1.099 107 A HN -0.088 nan 8.150 nan 0.000 0.516 108 D N 3.707 124.232 120.400 0.210 0.000 2.661 108 D HA 0.009 4.655 4.640 0.009 0.000 0.244 108 D C -1.486 174.820 176.300 0.010 0.000 1.196 108 D CA -0.880 53.177 54.000 0.096 0.000 0.881 108 D CB 0.679 41.532 40.800 0.087 0.000 1.141 108 D HN 0.201 nan 8.370 nan 0.000 0.530 109 P HA -0.131 nan 4.420 nan 0.000 0.218 109 P C 0.589 177.750 177.300 -0.232 0.000 1.148 109 P CA 1.209 63.792 63.100 -0.861 0.000 0.822 109 P CB 0.100 31.026 31.700 -1.291 0.000 0.784 110 H N -1.394 117.575 119.070 -0.168 0.000 2.491 110 H HA -0.014 4.547 4.556 0.009 0.000 0.290 110 H C 1.969 177.267 175.328 -0.050 0.000 1.050 110 H CA 1.155 57.112 56.048 -0.152 0.000 1.309 110 H CB -0.156 29.396 29.762 -0.350 0.000 1.392 110 H HN 0.114 nan 8.280 nan 0.000 0.554 111 K N -0.396 119.983 120.400 -0.034 0.000 2.166 111 K HA -0.054 4.272 4.320 0.009 0.000 0.201 111 K C 0.542 176.993 176.600 -0.250 0.000 1.052 111 K CA 0.872 57.010 56.287 -0.249 0.000 0.969 111 K CB 0.307 32.470 32.500 -0.562 0.000 0.761 111 K HN 0.241 nan 8.250 nan 0.000 0.459 112 Y N -1.560 118.876 120.300 0.227 0.000 2.442 112 Y HA 0.183 4.738 4.550 0.009 0.000 0.250 112 Y C 0.054 176.356 175.900 0.669 0.000 1.113 112 Y CA -0.618 57.712 58.100 0.384 0.000 1.273 112 Y CB 0.472 39.132 38.460 0.333 0.000 1.138 112 Y HN 0.011 nan 8.280 nan 0.000 0.522 113 W N 0.763 122.286 121.300 0.371 0.000 2.671 113 W HA 0.630 5.296 4.660 0.010 0.000 0.360 113 W C -0.424 176.215 176.519 0.200 0.000 1.128 113 W CA -1.789 55.732 57.345 0.293 0.000 1.184 113 W CB 0.490 30.089 29.460 0.232 0.000 1.415 113 W HN -0.307 nan 8.180 nan 0.000 0.604 114 E N 0.407 120.774 120.200 0.278 0.000 2.304 114 E HA 0.381 4.737 4.350 0.009 0.000 0.277 114 E C -1.548 175.017 176.600 -0.057 0.000 0.898 114 E CA -0.665 55.817 56.400 0.136 0.000 0.764 114 E CB 2.874 32.609 29.700 0.059 0.000 1.216 114 E HN 0.006 nan 8.360 nan 0.000 0.419 115 V N 3.159 122.983 119.914 -0.150 0.000 2.439 115 V HA 0.374 4.499 4.120 0.009 0.000 0.282 115 V C -0.189 175.921 176.094 0.026 0.000 1.039 115 V CA -0.559 61.631 62.300 -0.184 0.000 0.913 115 V CB 1.533 33.108 31.823 -0.413 0.000 0.983 115 V HN 0.391 nan 8.190 nan 0.000 0.460 116 V N 3.252 123.196 119.914 0.048 0.000 2.588 116 V HA 0.352 4.477 4.120 0.009 0.000 0.304 116 V C -0.398 175.721 176.094 0.041 0.000 1.042 116 V CA -0.723 61.609 62.300 0.054 0.000 0.877 116 V CB 2.126 33.945 31.823 -0.007 0.000 0.996 116 V HN 0.910 nan 8.190 nan 0.000 0.425 117 D N 4.239 124.635 120.400 -0.007 0.000 2.344 117 D HA 0.140 4.785 4.640 0.009 0.000 0.253 117 D C 1.144 177.309 176.300 -0.224 0.000 1.255 117 D CA -0.159 53.646 54.000 -0.325 0.000 0.894 117 D CB 0.873 41.594 40.800 -0.132 0.000 1.067 117 D HN 0.315 nan 8.370 nan 0.000 0.492 118 R N 2.279 122.620 120.500 -0.265 0.000 2.193 118 R HA -0.027 4.318 4.340 0.009 0.000 0.213 118 R C 1.648 177.852 176.300 -0.161 0.000 1.055 118 R CA 0.605 56.610 56.100 -0.159 0.000 0.995 118 R CB -0.482 29.747 30.300 -0.119 0.000 0.893 118 R HN 0.456 nan 8.270 nan 0.000 0.459 119 T N 0.302 114.715 114.554 -0.235 0.000 2.788 119 T HA -0.105 4.250 4.350 0.009 0.000 0.268 119 T C 1.804 176.372 174.700 -0.221 0.000 1.044 119 T CA 2.019 63.950 62.100 -0.280 0.000 1.139 119 T CB -0.086 68.452 68.868 -0.549 0.000 0.867 119 T HN 0.479 nan 8.240 nan 0.000 0.454 120 T N -2.217 112.252 114.554 -0.143 0.000 2.990 120 T HA 0.455 4.810 4.350 0.009 0.000 0.249 120 T C 1.857 176.537 174.700 -0.034 0.000 1.039 120 T CA 0.825 62.893 62.100 -0.053 0.000 1.036 120 T CB 0.213 69.103 68.868 0.036 0.000 0.994 120 T HN 0.478 nan 8.240 nan 0.000 0.489 121 G N 1.523 110.295 108.800 -0.048 0.000 2.179 121 G HA2 -0.206 3.759 3.960 0.009 0.000 0.260 121 G HA3 -0.206 3.759 3.960 0.009 0.000 0.260 121 G C -0.169 174.727 174.900 -0.006 0.000 0.977 121 G CA 0.042 45.122 45.100 -0.033 0.000 0.641 121 G HN 0.600 nan 8.290 nan 0.000 0.533 122 E N 0.370 120.581 120.200 0.018 0.000 2.338 122 E HA 0.414 4.769 4.350 0.009 0.000 0.272 122 E C 0.699 177.341 176.600 0.070 0.000 1.029 122 E CA -0.472 55.958 56.400 0.049 0.000 0.872 122 E CB 1.890 31.634 29.700 0.074 0.000 1.015 122 E HN 0.167 nan 8.360 nan 0.000 0.417 123 V N 3.155 123.115 119.914 0.076 0.000 2.521 123 V HA -0.007 4.118 4.120 0.009 0.000 0.286 123 V C 0.521 176.708 176.094 0.154 0.000 1.034 123 V CA -0.358 62.007 62.300 0.108 0.000 1.045 123 V CB 1.022 32.906 31.823 0.101 0.000 0.974 123 V HN 0.361 nan 8.190 nan 0.000 0.480 124 V N 4.528 124.565 119.914 0.204 0.000 2.508 124 V HA 0.062 4.188 4.120 0.009 0.000 0.281 124 V C 0.507 176.775 176.094 0.291 0.000 1.041 124 V CA -0.292 62.157 62.300 0.250 0.000 1.016 124 V CB 1.107 33.100 31.823 0.284 0.000 0.984 124 V HN 1.019 nan 8.190 nan 0.000 0.478 125 D N 3.601 124.127 120.400 0.211 0.000 2.525 125 D HA -0.037 4.608 4.640 0.009 0.000 0.235 125 D C 1.433 177.844 176.300 0.186 0.000 1.137 125 D CA 0.833 54.934 54.000 0.169 0.000 0.868 125 D CB 1.037 41.893 40.800 0.093 0.000 1.180 125 D HN 0.701 nan 8.370 nan 0.000 0.465 126 S N 2.579 118.346 115.700 0.113 0.000 2.507 126 S HA -0.129 4.346 4.470 0.009 0.000 0.235 126 S C 1.912 176.352 174.600 -0.267 0.000 0.988 126 S CA 0.470 58.572 58.200 -0.163 0.000 0.944 126 S CB -0.200 62.987 63.200 -0.020 0.000 0.762 126 S HN 0.528 nan 8.310 nan 0.000 0.526 127 A N 2.349 125.094 122.820 -0.125 0.000 2.070 127 A HA -0.004 4.321 4.320 0.009 0.000 0.220 127 A C 1.920 179.464 177.584 -0.067 0.000 1.159 127 A CA 1.259 53.219 52.037 -0.128 0.000 0.656 127 A CB -0.771 18.184 19.000 -0.074 0.000 0.800 127 A HN 0.753 nan 8.150 nan 0.000 0.453 128 N N -0.856 117.853 118.700 0.015 0.000 2.336 128 N HA 0.100 4.846 4.740 0.009 0.000 0.189 128 N C -0.230 175.420 175.510 0.233 0.000 1.113 128 N CA -0.072 53.042 53.050 0.107 0.000 0.858 128 N CB 0.196 38.768 38.487 0.142 0.000 0.970 128 N HN 0.846 nan 8.380 nan 0.000 0.471 129 W N 0.593 121.962 121.300 0.116 0.000 3.107 129 W HA 0.455 5.121 4.660 0.010 0.000 0.331 129 W C -1.328 175.317 176.519 0.210 0.000 1.204 129 W CA -0.877 56.542 57.345 0.124 0.000 1.184 129 W CB 0.553 30.062 29.460 0.080 0.000 1.421 129 W HN -0.274 nan 8.180 nan 0.000 0.544 130 T N 0.466 115.331 114.554 0.518 0.000 2.912 130 T HA 0.511 4.866 4.350 0.009 0.000 0.299 130 T C -1.453 173.516 174.700 0.448 0.000 1.052 130 T CA -0.780 61.546 62.100 0.377 0.000 0.996 130 T CB 2.257 71.266 68.868 0.234 0.000 1.070 130 T HN 0.571 nan 8.240 nan 0.000 0.465 131 L N 2.819 124.255 121.223 0.355 0.000 2.281 131 L HA 0.383 4.728 4.340 0.009 0.000 0.285 131 L C 0.322 177.292 176.870 0.167 0.000 1.074 131 L CA -0.076 54.905 54.840 0.235 0.000 0.817 131 L CB 0.398 42.552 42.059 0.160 0.000 1.168 131 L HN 0.825 nan 8.230 nan 0.000 0.434 132 D N 3.836 124.309 120.400 0.123 0.000 2.533 132 D HA -0.049 4.596 4.640 0.009 0.000 0.236 132 D C 0.876 177.243 176.300 0.111 0.000 1.137 132 D CA 0.699 54.797 54.000 0.163 0.000 0.867 132 D CB 1.625 42.507 40.800 0.136 0.000 1.170 132 D HN 0.846 nan 8.370 nan 0.000 0.474 133 A N 4.342 127.224 122.820 0.102 0.000 1.972 133 A HA -0.171 4.155 4.320 0.009 0.000 0.219 133 A C 1.575 179.197 177.584 0.063 0.000 1.169 133 A CA 1.263 53.342 52.037 0.071 0.000 0.635 133 A CB 0.138 19.171 19.000 0.055 0.000 0.810 133 A HN 0.636 nan 8.150 nan 0.000 0.446 134 D N -1.111 119.331 120.400 0.069 0.000 2.379 134 D HA 0.106 4.751 4.640 0.009 0.000 0.218 134 D C 0.420 176.753 176.300 0.055 0.000 1.006 134 D CA 0.340 54.374 54.000 0.057 0.000 0.893 134 D CB 0.346 41.178 40.800 0.054 0.000 1.019 134 D HN 0.542 nan 8.370 nan 0.000 0.503 135 E N 0.886 121.122 120.200 0.059 0.000 2.244 135 E HA 0.157 4.513 4.350 0.009 0.000 0.266 135 E C -0.964 175.651 176.600 0.025 0.000 0.914 135 E CA -0.637 55.788 56.400 0.043 0.000 0.794 135 E CB 1.738 31.464 29.700 0.044 0.000 1.210 135 E HN -0.174 nan 8.360 nan 0.000 0.414 136 D N 2.195 122.602 120.400 0.011 0.000 2.662 136 D HA 0.096 4.741 4.640 0.009 0.000 0.228 136 D C -0.953 175.297 176.300 -0.084 0.000 1.093 136 D CA 0.571 54.556 54.000 -0.026 0.000 1.075 136 D CB -0.051 40.731 40.800 -0.029 0.000 1.122 136 D HN 0.140 nan 8.370 nan 0.000 0.475 137 T N -0.315 114.181 114.554 -0.097 0.000 2.971 137 T HA 0.288 4.643 4.350 0.009 0.000 0.304 137 T C -0.144 174.393 174.700 -0.272 0.000 1.038 137 T CA -0.568 61.420 62.100 -0.187 0.000 1.007 137 T CB 2.291 71.043 68.868 -0.193 0.000 1.055 137 T HN -0.193 nan 8.240 nan 0.000 0.451 138 V N 4.608 124.374 119.914 -0.247 0.000 2.427 138 V HA 0.370 4.496 4.120 0.009 0.000 0.286 138 V C -0.266 175.686 176.094 -0.237 0.000 1.034 138 V CA -0.789 61.407 62.300 -0.174 0.000 0.893 138 V CB 0.923 32.665 31.823 -0.135 0.000 0.982 138 V HN 0.818 nan 8.190 nan 0.000 0.452 139 H N 3.702 122.845 119.070 0.123 0.000 2.488 139 H HA 0.565 5.126 4.556 0.009 0.000 0.322 139 H C -0.645 174.758 175.328 0.125 0.000 1.078 139 H CA -0.402 55.698 56.048 0.086 0.000 1.260 139 H CB 1.865 31.672 29.762 0.076 0.000 1.425 139 H HN 0.377 nan 8.280 nan 0.000 0.471 140 V N 2.999 123.001 119.914 0.147 0.000 2.555 140 V HA 0.403 4.528 4.120 0.009 0.000 0.302 140 V C 0.199 176.302 176.094 0.015 0.000 1.038 140 V CA -0.726 61.627 62.300 0.088 0.000 0.887 140 V CB 1.706 33.483 31.823 -0.077 0.000 0.991 140 V HN 0.933 nan 8.190 nan 0.000 0.434 141 S N 1.390 117.109 115.700 0.030 0.000 2.704 141 S HA 0.831 5.307 4.470 0.009 0.000 0.296 141 S C 0.630 175.217 174.600 -0.022 0.000 1.138 141 S CA -0.190 58.001 58.200 -0.016 0.000 0.875 141 S CB 1.680 64.882 63.200 0.003 0.000 1.151 141 S HN 2.287 nan 8.310 nan 0.000 0.500 142 G N -0.418 108.361 108.800 -0.035 0.000 2.198 142 G HA2 -0.176 3.790 3.960 0.009 0.000 0.260 142 G HA3 -0.176 3.790 3.960 0.009 0.000 0.260 142 G C 0.124 175.003 174.900 -0.034 0.000 1.025 142 G CA 0.377 45.463 45.100 -0.024 0.000 0.769 142 G HN 1.788 nan 8.290 nan 0.000 0.507 143 V N -3.215 116.644 119.914 -0.091 0.000 3.345 143 V HA 0.981 5.106 4.120 0.009 0.000 0.308 143 V C 0.712 176.752 176.094 -0.090 0.000 1.168 143 V CA -0.696 61.547 62.300 -0.093 0.000 1.024 143 V CB 1.587 33.222 31.823 -0.313 0.000 1.211 143 V HN 1.658 nan 8.190 nan 0.000 0.461 144 A N 0.439 123.214 122.820 -0.075 0.000 2.290 144 A HA 0.853 5.178 4.320 0.009 0.000 0.310 144 A C 0.398 177.861 177.584 -0.202 0.000 1.202 144 A CA -0.107 51.779 52.037 -0.252 0.000 0.837 144 A CB 0.313 18.895 19.000 -0.697 0.000 1.139 144 A HN 1.992 nan 8.150 nan 0.000 0.509 145 A N 1.396 124.102 122.820 -0.191 0.000 2.445 145 A HA 0.449 4.775 4.320 0.009 0.000 0.242 145 A C 0.195 177.688 177.584 -0.151 0.000 1.075 145 A CA 0.676 52.492 52.037 -0.369 0.000 0.777 145 A CB -0.840 17.814 19.000 -0.577 0.000 1.013 145 A HN 1.688 nan 8.150 nan 0.000 0.493 146 W N -1.532 119.874 121.300 0.176 0.000 2.560 146 W HA -0.192 4.474 4.660 0.009 0.000 0.279 146 W C 0.400 177.089 176.519 0.283 0.000 1.090 146 W CA 0.789 58.250 57.345 0.194 0.000 0.535 146 W CB -2.314 27.235 29.460 0.148 0.000 2.121 146 W HN 0.867 nan 8.180 nan 0.000 1.314 147 H N 0.483 119.663 119.070 0.184 0.000 2.496 147 H HA 0.419 4.980 4.556 0.009 0.000 0.342 147 H C 0.310 175.623 175.328 -0.024 0.000 1.170 147 H CA -0.845 55.221 56.048 0.030 0.000 1.274 147 H CB 1.093 30.800 29.762 -0.093 0.000 1.538 147 H HN -0.044 nan 8.280 nan 0.000 0.542 148 E N 1.557 121.710 120.200 -0.078 0.000 2.216 148 E HA 0.218 4.573 4.350 0.009 0.000 0.279 148 E C -1.181 175.244 176.600 -0.293 0.000 0.997 148 E CA -0.348 56.014 56.400 -0.064 0.000 0.817 148 E CB 1.239 30.915 29.700 -0.040 0.000 1.096 148 E HN 0.376 nan 8.360 nan 0.000 0.393 149 Y N 0.340 120.661 120.300 0.034 0.000 2.485 149 Y HA 0.415 4.970 4.550 0.009 0.000 0.345 149 Y C 0.434 176.328 175.900 -0.010 0.000 0.998 149 Y CA -0.723 57.384 58.100 0.012 0.000 1.059 149 Y CB 2.303 40.764 38.460 0.003 0.000 1.234 149 Y HN 0.464 nan 8.280 nan 0.000 0.461 150 T N -1.450 113.169 114.554 0.109 0.000 2.883 150 T HA 0.824 5.179 4.350 0.009 0.000 0.296 150 T C -1.483 173.216 174.700 -0.001 0.000 1.117 150 T CA -0.852 61.276 62.100 0.047 0.000 1.006 150 T CB 1.415 70.296 68.868 0.020 0.000 1.191 150 T HN 0.348 nan 8.240 nan 0.000 0.508 151 V N 1.439 121.343 119.914 -0.016 0.000 2.628 151 V HA 0.677 4.803 4.120 0.009 0.000 0.306 151 V C -0.246 175.867 176.094 0.032 0.000 1.045 151 V CA -0.855 61.401 62.300 -0.073 0.000 0.905 151 V CB 2.168 33.888 31.823 -0.172 0.000 0.997 151 V HN 1.102 nan 8.190 nan 0.000 0.436 152 S N 4.912 120.597 115.700 -0.024 0.000 2.474 152 S HA 0.795 5.270 4.470 0.009 0.000 0.321 152 S C -0.713 173.828 174.600 -0.098 0.000 1.080 152 S CA -0.479 57.693 58.200 -0.047 0.000 1.106 152 S CB 0.568 63.689 63.200 -0.132 0.000 0.984 152 S HN 0.630 nan 8.310 nan 0.000 0.464 153 F N 0.330 120.006 119.950 -0.456 0.000 2.599 153 F HA 0.707 5.239 4.527 0.009 0.000 0.311 153 F C -1.114 174.283 175.800 -0.671 0.000 1.076 153 F CA -1.600 55.715 58.000 -1.142 0.000 0.937 153 F CB 0.791 38.620 39.000 -1.952 0.000 1.282 153 F HN 0.229 nan 8.300 nan 0.000 0.460 154 L N 2.939 123.786 121.223 -0.628 0.000 2.367 154 L HA 0.628 4.974 4.340 0.009 0.000 0.275 154 L C 0.122 176.747 176.870 -0.408 0.000 1.129 154 L CA -0.457 54.028 54.840 -0.591 0.000 0.839 154 L CB 1.062 42.886 42.059 -0.391 0.000 1.133 154 L HN 0.939 nan 8.230 nan 0.000 0.453 155 A N 3.520 126.034 122.820 -0.510 0.000 2.386 155 A HA 0.646 4.971 4.320 0.009 0.000 0.311 155 A C -1.309 176.100 177.584 -0.292 0.000 1.068 155 A CA -0.527 51.318 52.037 -0.320 0.000 0.743 155 A CB 0.799 19.586 19.000 -0.354 0.000 1.258 155 A HN 0.491 nan 8.150 nan 0.000 0.429 156 Y N 0.929 121.200 120.300 -0.048 0.000 2.346 156 Y HA 0.364 4.920 4.550 0.009 0.000 0.330 156 Y C 0.516 176.399 175.900 -0.029 0.000 1.178 156 Y CA 0.210 58.295 58.100 -0.026 0.000 1.331 156 Y CB 0.641 39.106 38.460 0.008 0.000 1.253 156 Y HN 0.439 nan 8.280 nan 0.000 0.529 157 I N 5.447 126.112 120.570 0.159 0.000 2.291 157 I HA 0.151 4.326 4.170 0.009 0.000 0.290 157 I C 0.823 177.016 176.117 0.127 0.000 1.050 157 I CA -0.007 61.351 61.300 0.097 0.000 1.245 157 I CB 0.451 38.486 38.000 0.059 0.000 1.405 157 I HN 0.651 nan 8.210 nan 0.000 0.478 158 I N 2.680 123.322 120.570 0.120 0.000 3.956 158 I HA 0.304 4.479 4.170 0.009 0.000 0.333 158 I C -0.290 175.921 176.117 0.158 0.000 1.302 158 I CA 0.015 61.378 61.300 0.104 0.000 1.122 158 I CB 0.362 38.392 38.000 0.051 0.000 1.013 158 I HN 0.444 nan 8.210 nan 0.000 0.405 159 W N 2.898 124.165 121.300 -0.055 0.000 3.042 159 W HA 0.384 5.050 4.660 0.010 0.000 0.337 159 W C -1.168 175.291 176.519 -0.101 0.000 1.086 159 W CA -1.839 55.454 57.345 -0.087 0.000 1.236 159 W CB 1.345 30.699 29.460 -0.177 0.000 1.381 159 W HN 0.031 nan 8.180 nan 0.000 0.472 160 D N 6.636 127.203 120.400 0.279 0.000 2.434 160 D HA 0.083 4.729 4.640 0.009 0.000 0.252 160 D C -1.475 174.708 176.300 -0.195 0.000 1.185 160 D CA -0.395 53.612 54.000 0.013 0.000 0.886 160 D CB 1.838 42.639 40.800 0.001 0.000 1.148 160 D HN 0.010 nan 8.370 nan 0.000 0.483 161 P HA -0.170 nan 4.420 nan 0.000 0.215 161 P C 1.359 178.442 177.300 -0.363 0.000 1.153 161 P CA 0.540 63.436 63.100 -0.339 0.000 0.853 161 P CB 0.213 31.753 31.700 -0.267 0.000 0.788 162 V N 0.066 119.818 119.914 -0.270 0.000 2.358 162 V HA -0.204 3.921 4.120 0.009 0.000 0.246 162 V C 2.476 178.480 176.094 -0.150 0.000 1.047 162 V CA 1.644 63.833 62.300 -0.185 0.000 1.035 162 V CB -1.041 30.694 31.823 -0.146 0.000 0.658 162 V HN 0.153 nan 8.190 nan 0.000 0.452 163 E N -0.110 119.998 120.200 -0.153 0.000 2.058 163 E HA -0.288 4.068 4.350 0.009 0.000 0.194 163 E C 2.195 178.685 176.600 -0.182 0.000 0.997 163 E CA 2.071 58.448 56.400 -0.038 0.000 0.801 163 E CB -0.201 29.564 29.700 0.108 0.000 0.746 163 E HN 0.585 nan 8.360 nan 0.000 0.450 164 M N -0.266 118.931 119.600 -0.671 0.000 2.086 164 M HA -0.240 4.245 4.480 0.009 0.000 0.261 164 M C 2.334 178.146 176.300 -0.813 0.000 1.067 164 M CA 1.646 56.123 55.300 -1.371 0.000 1.116 164 M CB -0.459 30.881 32.600 -2.099 0.000 1.348 164 M HN 0.122 nan 8.290 nan 0.000 0.407 165 Y N 1.548 121.426 120.300 -0.704 0.000 2.069 165 Y HA -0.361 4.193 4.550 0.007 0.000 0.278 165 Y C 1.665 177.329 175.900 -0.393 0.000 1.175 165 Y CA 2.760 60.583 58.100 -0.462 0.000 1.134 165 Y CB -0.902 37.394 38.460 -0.274 0.000 0.965 165 Y HN 0.457 nan 8.280 nan 0.000 0.498 166 N N -1.471 116.958 118.700 -0.451 0.000 2.166 166 N HA -0.211 4.534 4.740 0.009 0.000 0.186 166 N C 1.741 176.550 175.510 -1.169 0.000 1.019 166 N CA 1.188 53.814 53.050 -0.707 0.000 0.856 166 N CB -0.423 37.791 38.487 -0.455 0.000 0.993 166 N HN 0.551 nan 8.380 nan 0.000 0.426 167 H N 0.760 119.217 119.070 -1.022 0.000 2.290 167 H HA -0.022 4.539 4.556 0.009 0.000 0.298 167 H C 1.836 176.855 175.328 -0.515 0.000 1.087 167 H CA 1.562 57.179 56.048 -0.719 0.000 1.291 167 H CB -0.075 29.762 29.762 0.125 0.000 1.369 167 H HN 0.102 nan 8.280 nan 0.000 0.492 168 L N -0.645 120.437 121.223 -0.235 0.000 2.093 168 L HA -0.138 4.207 4.340 0.009 0.000 0.208 168 L C 2.457 179.150 176.870 -0.295 0.000 1.085 168 L CA 1.518 56.259 54.840 -0.166 0.000 0.755 168 L CB -0.484 41.473 42.059 -0.171 0.000 0.904 168 L HN 0.389 nan 8.230 nan 0.000 0.435 169 T N -0.589 113.654 114.554 -0.519 0.000 2.812 169 T HA -0.110 4.245 4.350 0.009 0.000 0.264 169 T C 1.364 175.868 174.700 -0.326 0.000 1.042 169 T CA 1.381 63.193 62.100 -0.481 0.000 1.140 169 T CB -0.277 68.117 68.868 -0.790 0.000 0.870 169 T HN 0.441 nan 8.240 nan 0.000 0.445 170 N N 0.898 119.322 118.700 -0.460 0.000 2.270 170 N HA 0.059 4.804 4.740 0.009 0.000 0.198 170 N C -0.908 174.485 175.510 -0.194 0.000 1.117 170 N CA -0.166 52.721 53.050 -0.271 0.000 0.845 170 N CB 0.347 38.698 38.487 -0.226 0.000 0.980 170 N HN 0.142 nan 8.380 nan 0.000 0.486 171 D N -0.069 120.198 120.400 -0.221 0.000 2.812 171 D HA -0.179 4.466 4.640 0.009 0.000 0.237 171 D C -0.342 175.971 176.300 0.022 0.000 1.162 171 D CA 0.390 54.346 54.000 -0.074 0.000 0.740 171 D CB -0.746 40.055 40.800 0.003 0.000 1.000 171 D HN 0.494 nan 8.370 nan 0.000 0.416 172 W N 0.599 121.678 121.300 -0.369 0.000 3.047 172 W HA 0.222 4.888 4.660 0.011 0.000 0.250 172 W C 2.044 178.413 176.519 -0.249 0.000 1.314 172 W CA 0.698 57.792 57.345 -0.418 0.000 1.540 172 W CB -0.710 28.375 29.460 -0.625 0.000 1.127 172 W HN 0.547 nan 8.180 nan 0.000 0.679 173 G N 1.378 110.231 108.800 0.088 0.000 2.677 173 G HA2 -0.405 3.561 3.960 0.009 0.000 0.321 173 G HA3 -0.405 3.561 3.960 0.009 0.000 0.321 173 G C 0.965 176.087 174.900 0.371 0.000 1.181 173 G CA 1.129 46.369 45.100 0.234 0.000 0.965 173 G HN 0.247 nan 8.290 nan 0.000 0.548 174 D N 1.555 122.099 120.400 0.241 0.000 2.360 174 D HA 0.089 4.735 4.640 0.009 0.000 0.210 174 D C 1.327 177.734 176.300 0.177 0.000 1.047 174 D CA 0.231 54.342 54.000 0.185 0.000 0.854 174 D CB 0.135 40.989 40.800 0.089 0.000 0.936 174 D HN 0.456 nan 8.370 nan 0.000 0.514 175 K N 2.064 122.613 120.400 0.248 0.000 2.586 175 K HA -0.131 4.195 4.320 0.009 0.000 0.280 175 K C 0.341 177.077 176.600 0.226 0.000 0.972 175 K CA 0.349 56.762 56.287 0.209 0.000 1.040 175 K CB 0.551 33.178 32.500 0.213 0.000 0.870 175 K HN -0.029 nan 8.250 nan 0.000 0.497 176 E N 2.950 123.192 120.200 0.070 0.000 2.384 176 E HA -0.047 4.309 4.350 0.009 0.000 0.266 176 E C -0.803 175.815 176.600 0.031 0.000 1.012 176 E CA -0.031 56.343 56.400 -0.044 0.000 0.901 176 E CB 0.384 30.051 29.700 -0.056 0.000 0.967 176 E HN 0.522 nan 8.360 nan 0.000 0.435 177 H N 3.567 122.424 119.070 -0.355 0.000 2.742 177 H HA 0.086 4.648 4.556 0.010 0.000 0.302 177 H C -0.281 174.860 175.328 -0.312 0.000 1.069 177 H CA -0.505 55.148 56.048 -0.658 0.000 1.446 177 H CB 0.635 29.454 29.762 -1.572 0.000 1.462 177 H HN 0.435 nan 8.280 nan 0.000 0.499 178 E N 3.666 123.919 120.200 0.089 0.000 2.299 178 E HA 0.086 4.442 4.350 0.009 0.000 0.272 178 E C -0.215 176.475 176.600 0.149 0.000 1.043 178 E CA -0.200 56.273 56.400 0.121 0.000 0.895 178 E CB 0.913 30.690 29.700 0.130 0.000 1.011 178 E HN 0.413 nan 8.360 nan 0.000 0.432 179 I N 6.525 127.164 120.570 0.116 0.000 2.342 179 I HA 0.198 4.373 4.170 0.009 0.000 0.291 179 I C -1.962 174.240 176.117 0.143 0.000 1.010 179 I CA -2.024 59.356 61.300 0.134 0.000 1.308 179 I CB 0.772 38.840 38.000 0.114 0.000 1.400 179 I HN 0.298 nan 8.210 nan 0.000 0.488 180 P HA 0.415 nan 4.420 nan 0.000 0.281 180 P C -1.220 176.112 177.300 0.053 0.000 1.264 180 P CA -0.345 62.697 63.100 -0.096 0.000 0.824 180 P CB 0.894 32.559 31.700 -0.059 0.000 1.092 181 F N -1.835 118.220 119.950 0.175 0.000 2.611 181 F HA 0.688 5.221 4.527 0.010 0.000 0.324 181 F C -0.475 175.442 175.800 0.195 0.000 1.061 181 F CA -1.213 56.916 58.000 0.215 0.000 0.954 181 F CB 0.953 40.129 39.000 0.293 0.000 1.301 181 F HN 0.052 nan 8.300 nan 0.000 0.482 182 D N 1.565 122.246 120.400 0.468 0.000 2.440 182 D HA 0.281 4.927 4.640 0.009 0.000 0.239 182 D C 0.582 177.081 176.300 0.332 0.000 1.084 182 D CA -0.611 53.580 54.000 0.318 0.000 0.843 182 D CB 1.246 42.260 40.800 0.357 0.000 1.097 182 D HN 0.685 nan 8.370 nan 0.000 0.531 183 I N 1.514 122.220 120.570 0.227 0.000 3.241 183 I HA -0.034 4.142 4.170 0.009 0.000 0.280 183 I C 1.260 177.550 176.117 0.288 0.000 1.320 183 I CA 0.311 61.736 61.300 0.208 0.000 1.413 183 I CB -0.380 37.606 38.000 -0.023 0.000 1.060 183 I HN 0.274 nan 8.210 nan 0.000 0.500 184 Y N 2.061 122.395 120.300 0.055 0.000 2.274 184 Y HA -0.112 4.443 4.550 0.009 0.000 0.290 184 Y C 1.496 177.275 175.900 -0.200 0.000 1.145 184 Y CA 1.051 58.984 58.100 -0.279 0.000 1.203 184 Y CB -0.153 37.987 38.460 -0.533 0.000 0.984 184 Y HN 0.294 nan 8.280 nan 0.000 0.533 185 H N 0.984 120.172 119.070 0.196 0.000 2.722 185 H HA 0.072 4.634 4.556 0.009 0.000 0.328 185 H C -1.586 173.806 175.328 0.108 0.000 1.067 185 H CA -1.868 54.265 56.048 0.141 0.000 1.447 185 H CB 0.660 30.535 29.762 0.189 0.000 1.469 185 H HN 0.151 nan 8.280 nan 0.000 0.544 186 P HA -0.129 nan 4.420 nan 0.000 0.217 186 P C 1.368 178.754 177.300 0.144 0.000 1.150 186 P CA 1.589 64.759 63.100 0.116 0.000 0.832 186 P CB 0.182 31.930 31.700 0.081 0.000 0.787 187 A N -0.501 122.429 122.820 0.183 0.000 1.858 187 A HA -0.178 4.147 4.320 0.009 0.000 0.216 187 A C 2.295 180.022 177.584 0.237 0.000 1.190 187 A CA 2.569 54.738 52.037 0.219 0.000 0.617 187 A CB -1.959 17.163 19.000 0.204 0.000 0.827 187 A HN 0.165 nan 8.150 nan 0.000 0.443 188 T N -0.835 113.914 114.554 0.325 0.000 2.788 188 T HA -0.149 4.206 4.350 0.009 0.000 0.268 188 T C 2.038 176.777 174.700 0.064 0.000 1.044 188 T CA 1.579 63.813 62.100 0.223 0.000 1.139 188 T CB -0.227 68.896 68.868 0.425 0.000 0.867 188 T HN 0.553 nan 8.240 nan 0.000 0.454 189 R N 1.081 121.662 120.500 0.135 0.000 2.073 189 R HA -0.057 4.288 4.340 0.009 0.000 0.234 189 R C 2.490 178.882 176.300 0.153 0.000 1.134 189 R CA 1.532 57.713 56.100 0.136 0.000 0.952 189 R CB -0.124 30.282 30.300 0.177 0.000 0.850 189 R HN 0.247 nan 8.270 nan 0.000 0.433 190 K N -0.445 120.011 120.400 0.092 0.000 2.057 190 K HA -0.199 4.126 4.320 0.009 0.000 0.207 190 K C 1.952 178.497 176.600 -0.092 0.000 1.049 190 K CA 1.634 57.952 56.287 0.051 0.000 0.931 190 K CB -0.296 32.220 32.500 0.027 0.000 0.714 190 K HN 0.143 nan 8.250 nan 0.000 0.440 191 F N 1.470 121.133 119.950 -0.479 0.000 2.065 191 F HA -0.289 4.243 4.527 0.009 0.000 0.298 191 F C 1.899 177.417 175.800 -0.469 0.000 1.112 191 F CA 1.681 59.204 58.000 -0.794 0.000 1.212 191 F CB -0.574 37.281 39.000 -1.908 0.000 0.975 191 F HN -0.197 nan 8.300 nan 0.000 0.476 192 V N 0.006 119.730 119.914 -0.318 0.000 2.287 192 V HA -0.336 3.789 4.120 0.009 0.000 0.248 192 V C 2.305 178.255 176.094 -0.240 0.000 1.053 192 V CA 2.297 64.456 62.300 -0.235 0.000 1.027 192 V CB -0.941 30.834 31.823 -0.079 0.000 0.646 192 V HN 0.319 nan 8.190 nan 0.000 0.447 193 F N 0.292 120.216 119.950 -0.043 0.000 2.206 193 F HA -0.097 4.436 4.527 0.009 0.000 0.298 193 F C 2.302 178.093 175.800 -0.016 0.000 1.090 193 F CA 1.483 59.498 58.000 0.025 0.000 1.323 193 F CB -0.660 38.341 39.000 0.002 0.000 1.028 193 F HN 0.188 nan 8.300 nan 0.000 0.492 194 D N -0.416 120.003 120.400 0.032 0.000 2.123 194 D HA -0.143 4.502 4.640 0.009 0.000 0.196 194 D C 2.272 178.498 176.300 -0.123 0.000 0.992 194 D CA 1.907 55.867 54.000 -0.067 0.000 0.833 194 D CB -0.753 39.958 40.800 -0.149 0.000 0.954 194 D HN 0.187 nan 8.370 nan 0.000 0.455 195 T N 0.396 114.771 114.554 -0.297 0.000 2.777 195 T HA -0.135 4.220 4.350 0.009 0.000 0.266 195 T C 1.673 176.427 174.700 0.090 0.000 1.040 195 T CA 0.552 62.490 62.100 -0.269 0.000 1.141 195 T CB -0.360 68.098 68.868 -0.682 0.000 0.868 195 T HN 0.092 nan 8.240 nan 0.000 0.444 196 F N 2.001 121.946 119.950 -0.009 0.000 2.146 196 F HA 0.015 4.548 4.527 0.009 0.000 0.298 196 F C 2.357 178.218 175.800 0.102 0.000 1.096 196 F CA 1.257 59.268 58.000 0.019 0.000 1.275 196 F CB -0.411 38.538 39.000 -0.084 0.000 1.008 196 F HN 0.180 nan 8.300 nan 0.000 0.480 197 E N -0.199 119.989 120.200 -0.020 0.000 2.049 197 E HA -0.365 3.990 4.350 0.009 0.000 0.198 197 E C 2.261 178.805 176.600 -0.093 0.000 1.007 197 E CA 1.687 58.028 56.400 -0.098 0.000 0.809 197 E CB -0.342 29.354 29.700 -0.006 0.000 0.749 197 E HN 0.398 nan 8.360 nan 0.000 0.450 198 Q N 0.246 120.032 119.800 -0.023 0.000 2.061 198 Q HA -0.208 4.137 4.340 0.009 0.000 0.204 198 Q C 1.696 177.719 176.000 0.039 0.000 0.984 198 Q CA 2.358 58.163 55.803 0.003 0.000 0.846 198 Q CB -0.938 27.811 28.738 0.018 0.000 0.902 198 Q HN 0.572 nan 8.270 nan 0.000 0.421 199 W N 0.112 121.358 121.300 -0.090 0.000 2.338 199 W HA -0.163 4.502 4.660 0.009 0.000 0.304 199 W C 1.596 178.015 176.519 -0.166 0.000 1.212 199 W CA 1.605 58.919 57.345 -0.050 0.000 1.264 199 W CB -0.252 29.273 29.460 0.110 0.000 1.142 199 W HN 0.230 nan 8.180 nan 0.000 0.512 200 L N 0.700 121.835 121.223 -0.147 0.000 2.042 200 L HA -0.261 4.084 4.340 0.009 0.000 0.210 200 L C 2.550 179.230 176.870 -0.316 0.000 1.076 200 L CA 1.754 56.390 54.840 -0.340 0.000 0.749 200 L CB -0.813 41.020 42.059 -0.377 0.000 0.893 200 L HN -0.044 nan 8.230 nan 0.000 0.432 201 K N -0.215 120.055 120.400 -0.216 0.000 2.026 201 K HA -0.149 4.176 4.320 0.009 0.000 0.208 201 K C 1.273 177.757 176.600 -0.193 0.000 1.048 201 K CA 1.337 57.525 56.287 -0.165 0.000 0.929 201 K CB -0.181 32.256 32.500 -0.104 0.000 0.713 201 K HN 0.245 nan 8.250 nan 0.000 0.439 202 D N 0.383 120.650 120.400 -0.221 0.000 2.371 202 D HA -0.010 4.636 4.640 0.009 0.000 0.234 202 D C -0.189 175.895 176.300 -0.360 0.000 1.049 202 D CA 0.637 54.500 54.000 -0.229 0.000 0.907 202 D CB 0.306 41.011 40.800 -0.159 0.000 0.891 202 D HN -0.056 nan 8.370 nan 0.000 0.531 203 S N 0.701 116.117 115.700 -0.473 0.000 2.399 203 S HA 0.147 4.622 4.470 0.009 0.000 0.198 203 S C -1.877 172.510 174.600 -0.355 0.000 1.294 203 S CA -0.794 57.075 58.200 -0.551 0.000 1.237 203 S CB 1.637 64.156 63.200 -1.135 0.000 1.286 203 S HN 0.097 nan 8.310 nan 0.000 0.404 204 P HA -0.137 nan 4.420 nan 0.000 0.226 204 P C 1.490 178.725 177.300 -0.109 0.000 1.153 204 P CA 0.865 63.876 63.100 -0.147 0.000 0.777 204 P CB 0.169 31.805 31.700 -0.107 0.000 0.794 205 Q N -0.111 119.624 119.800 -0.109 0.000 2.378 205 Q HA 0.011 4.356 4.340 0.009 0.000 0.205 205 Q C 0.143 176.120 176.000 -0.037 0.000 0.954 205 Q CA 0.967 56.735 55.803 -0.059 0.000 0.901 205 Q CB -1.489 27.222 28.738 -0.045 0.000 0.981 205 Q HN 0.051 nan 8.270 nan 0.000 0.483 206 T N 2.905 117.414 114.554 -0.075 0.000 2.832 206 T HA 0.134 4.489 4.350 0.009 0.000 0.296 206 T C -0.044 174.661 174.700 0.010 0.000 0.968 206 T CA -0.250 61.837 62.100 -0.021 0.000 1.107 206 T CB 1.038 69.862 68.868 -0.073 0.000 0.916 206 T HN 0.175 nan 8.240 nan 0.000 0.517 207 D N 1.625 122.061 120.400 0.061 0.000 2.379 207 D HA 0.116 4.761 4.640 0.009 0.000 0.218 207 D C 0.329 176.664 176.300 0.058 0.000 1.006 207 D CA 0.564 54.604 54.000 0.066 0.000 0.893 207 D CB 0.606 41.461 40.800 0.092 0.000 1.019 207 D HN 0.274 nan 8.370 nan 0.000 0.503 208 V N 2.034 121.963 119.914 0.025 0.000 2.487 208 V HA 0.267 4.392 4.120 0.009 0.000 0.298 208 V C -0.092 175.955 176.094 -0.079 0.000 1.028 208 V CA -0.856 61.382 62.300 -0.104 0.000 0.860 208 V CB 2.514 34.042 31.823 -0.492 0.000 0.991 208 V HN -0.218 nan 8.190 nan 0.000 0.427 209 V N 5.160 125.030 119.914 -0.073 0.000 2.368 209 V HA 0.399 4.525 4.120 0.009 0.000 0.266 209 V C 0.608 176.470 176.094 -0.387 0.000 1.045 209 V CA -0.499 61.665 62.300 -0.227 0.000 0.899 209 V CB 0.881 32.498 31.823 -0.343 0.000 1.006 209 V HN 0.810 nan 8.190 nan 0.000 0.470 210 R N 4.794 125.085 120.500 -0.348 0.000 2.870 210 R HA 0.315 4.661 4.340 0.009 0.000 0.254 210 R C -0.865 175.226 176.300 -0.348 0.000 1.392 210 R CA -0.511 55.438 56.100 -0.251 0.000 1.322 210 R CB -0.031 30.201 30.300 -0.113 0.000 1.205 210 R HN 0.545 nan 8.270 nan 0.000 0.597 211 F N 1.730 121.517 119.950 -0.272 0.000 2.557 211 F HA 0.032 4.564 4.527 0.009 0.000 0.384 211 F C 0.850 176.409 175.800 -0.401 0.000 1.057 211 F CA 0.722 58.448 58.000 -0.457 0.000 1.169 211 F CB 1.112 39.618 39.000 -0.824 0.000 1.070 211 F HN 0.217 nan 8.300 nan 0.000 0.554 212 T N 2.245 116.711 114.554 -0.146 0.000 3.401 212 T HA 0.284 4.639 4.350 0.009 0.000 0.341 212 T C 0.422 175.204 174.700 0.137 0.000 1.674 212 T CA -0.415 61.704 62.100 0.031 0.000 1.600 212 T CB 0.561 69.434 68.868 0.009 0.000 0.974 212 T HN 0.610 nan 8.240 nan 0.000 0.672 213 T N 0.099 114.664 114.554 0.019 0.000 2.638 213 T HA 0.528 4.884 4.350 0.009 0.000 0.169 213 T C -0.004 174.333 174.700 -0.604 0.000 0.790 213 T CA 0.007 61.976 62.100 -0.218 0.000 1.151 213 T CB 0.186 69.059 68.868 0.007 0.000 2.581 213 T HN 0.205 nan 8.240 nan 0.000 0.391 214 F N -0.686 119.137 119.950 -0.212 0.000 2.071 214 F HA 0.524 5.057 4.527 0.009 0.000 0.206 214 F C 1.128 176.538 175.800 -0.650 0.000 1.258 214 F CA -0.657 56.906 58.000 -0.729 0.000 1.283 214 F CB -0.261 38.142 39.000 -0.994 0.000 1.834 214 F HN 0.165 nan 8.300 nan 0.000 0.216 215 F N -1.888 118.143 119.950 0.135 0.000 2.653 215 F HA 0.262 4.795 4.527 0.010 0.000 0.288 215 F C -0.615 174.921 175.800 -0.439 0.000 1.121 215 F CA -0.497 57.389 58.000 -0.190 0.000 1.384 215 F CB -0.220 38.627 39.000 -0.255 0.000 1.115 215 F HN -0.110 nan 8.300 nan 0.000 0.599 216 Y N 0.603 121.044 120.300 0.235 0.000 2.331 216 Y HA 0.476 5.031 4.550 0.009 0.000 0.326 216 Y C -0.120 175.826 175.900 0.076 0.000 1.020 216 Y CA -1.813 56.378 58.100 0.152 0.000 1.136 216 Y CB 1.170 39.725 38.460 0.158 0.000 1.157 216 Y HN -0.228 nan 8.280 nan 0.000 0.444 217 Q N 3.786 123.683 119.800 0.161 0.000 2.313 217 Q HA 0.244 4.590 4.340 0.009 0.000 0.266 217 Q C -0.625 175.393 176.000 0.029 0.000 0.989 217 Q CA -0.504 55.305 55.803 0.011 0.000 0.890 217 Q CB 0.185 28.858 28.738 -0.109 0.000 1.200 217 Q HN 0.456 nan 8.270 nan 0.000 0.396 218 F N 1.100 121.098 119.950 0.079 0.000 2.602 218 F HA 0.218 4.750 4.527 0.009 0.000 0.367 218 F C 0.293 176.135 175.800 0.069 0.000 1.126 218 F CA -0.742 57.283 58.000 0.040 0.000 1.321 218 F CB -0.429 38.603 39.000 0.054 0.000 1.094 218 F HN 0.412 nan 8.300 nan 0.000 0.594 219 T N 5.641 120.372 114.554 0.294 0.000 2.709 219 T HA 0.226 4.582 4.350 0.009 0.000 0.269 219 T C -0.370 174.456 174.700 0.210 0.000 1.008 219 T CA 0.322 62.533 62.100 0.185 0.000 1.194 219 T CB -0.214 68.760 68.868 0.177 0.000 0.986 219 T HN 0.657 nan 8.240 nan 0.000 0.508 220 L N 5.862 127.121 121.223 0.061 0.000 2.617 220 L HA 0.461 4.806 4.340 0.009 0.000 0.259 220 L C -1.432 175.511 176.870 0.121 0.000 0.995 220 L CA -0.189 54.708 54.840 0.096 0.000 0.899 220 L CB 0.813 42.844 42.059 -0.048 0.000 1.181 220 L HN 0.573 nan 8.230 nan 0.000 0.437 221 L N 3.864 125.191 121.223 0.173 0.000 2.346 221 L HA 0.610 4.955 4.340 0.009 0.000 0.276 221 L C -0.834 176.266 176.870 0.384 0.000 1.006 221 L CA -0.553 54.422 54.840 0.224 0.000 0.817 221 L CB 1.826 43.940 42.059 0.091 0.000 1.272 221 L HN 0.283 nan 8.230 nan 0.000 0.421 222 F N 0.679 120.705 119.950 0.126 0.000 2.483 222 F HA 0.403 4.935 4.527 0.009 0.000 0.329 222 F C 0.376 176.276 175.800 0.167 0.000 1.064 222 F CA -1.009 57.051 58.000 0.099 0.000 0.986 222 F CB 1.512 40.558 39.000 0.076 0.000 1.218 222 F HN 0.523 nan 8.300 nan 0.000 0.484 223 D N -0.217 120.240 120.400 0.095 0.000 2.487 223 D HA 0.127 4.772 4.640 0.009 0.000 0.262 223 D C 0.819 177.172 176.300 0.089 0.000 1.130 223 D CA -0.419 53.610 54.000 0.048 0.000 1.038 223 D CB 0.203 40.940 40.800 -0.104 0.000 1.142 223 D HN 0.531 nan 8.370 nan 0.000 0.575 224 E N 0.353 120.605 120.200 0.086 0.000 2.333 224 E HA -0.244 4.111 4.350 0.009 0.000 0.198 224 E C 0.579 177.202 176.600 0.038 0.000 1.007 224 E CA 1.113 57.594 56.400 0.135 0.000 0.845 224 E CB -0.292 29.469 29.700 0.103 0.000 0.766 224 E HN 0.542 nan 8.360 nan 0.000 0.507 225 K N 0.642 121.009 120.400 -0.055 0.000 2.410 225 K HA 0.177 4.503 4.320 0.009 0.000 0.200 225 K C -0.107 176.381 176.600 -0.186 0.000 1.023 225 K CA -0.090 56.144 56.287 -0.089 0.000 1.149 225 K CB 0.196 32.648 32.500 -0.079 0.000 0.859 225 K HN 0.075 nan 8.250 nan 0.000 0.514 226 R N 0.208 120.491 120.500 -0.361 0.000 3.651 226 R HA -0.204 4.141 4.340 0.009 0.000 0.292 226 R C -0.700 175.471 176.300 -0.216 0.000 1.161 226 R CA 0.772 56.532 56.100 -0.565 0.000 0.787 226 R CB -2.274 27.676 30.300 -0.584 0.000 1.249 226 R HN 0.241 nan 8.270 nan 0.000 0.476 227 R N 1.135 121.445 120.500 -0.318 0.000 2.758 227 R HA 0.315 4.660 4.340 0.009 0.000 0.265 227 R C 0.158 175.787 176.300 -1.119 0.000 1.016 227 R CA -0.986 54.803 56.100 -0.519 0.000 1.040 227 R CB 1.013 31.119 30.300 -0.322 0.000 1.152 227 R HN 0.133 nan 8.270 nan 0.000 0.503 228 E N 1.788 121.185 120.200 -1.338 0.000 2.480 228 E HA -0.120 4.235 4.350 0.009 0.000 0.258 228 E C 0.156 176.449 176.600 -0.511 0.000 0.984 228 E CA 0.399 56.109 56.400 -1.148 0.000 0.930 228 E CB 0.742 30.089 29.700 -0.589 0.000 0.936 228 E HN 0.418 nan 8.360 nan 0.000 0.466 229 K N 2.851 123.059 120.400 -0.320 0.000 2.240 229 K HA 0.126 4.451 4.320 0.009 0.000 0.202 229 K C -0.430 176.103 176.600 -0.112 0.000 1.053 229 K CA 0.375 56.564 56.287 -0.165 0.000 0.973 229 K CB 0.793 33.243 32.500 -0.084 0.000 0.924 229 K HN 0.356 nan 8.250 nan 0.000 0.477 230 V N 1.374 121.236 119.914 -0.087 0.000 2.733 230 V HA 0.422 4.547 4.120 0.009 0.000 0.306 230 V C -1.367 174.726 176.094 -0.002 0.000 1.084 230 V CA -0.942 61.303 62.300 -0.092 0.000 0.905 230 V CB 1.738 33.380 31.823 -0.301 0.000 1.010 230 V HN -0.054 nan 8.190 nan 0.000 0.424 231 V N 3.381 123.325 119.914 0.051 0.000 2.808 231 V HA 0.775 4.901 4.120 0.009 0.000 0.308 231 V C -2.021 174.182 176.094 0.182 0.000 1.099 231 V CA -0.144 62.248 62.300 0.154 0.000 0.920 231 V CB 2.256 34.173 31.823 0.157 0.000 1.014 231 V HN 1.014 nan 8.190 nan 0.000 0.425 232 D N 4.374 124.929 120.400 0.259 0.000 2.763 232 D HA 0.175 4.820 4.640 0.009 0.000 0.235 232 D C 0.006 176.424 176.300 0.197 0.000 1.334 232 D CA -0.440 53.712 54.000 0.254 0.000 0.950 232 D CB 1.457 42.428 40.800 0.285 0.000 1.433 232 D HN 0.578 nan 8.370 nan 0.000 0.580 233 W N 4.088 125.214 121.300 -0.290 0.000 2.421 233 W HA -0.023 4.645 4.660 0.013 0.000 0.270 233 W C 0.602 176.850 176.519 -0.453 0.000 1.233 233 W CA 0.877 57.766 57.345 -0.760 0.000 1.226 233 W CB -0.158 28.735 29.460 -0.945 0.000 1.121 233 W HN 0.396 nan 8.180 nan 0.000 0.579 234 F N -0.424 119.579 119.950 0.088 0.000 2.678 234 F HA 0.417 4.949 4.527 0.009 0.000 0.305 234 F C 1.722 177.452 175.800 -0.117 0.000 1.090 234 F CA -0.006 57.912 58.000 -0.136 0.000 1.272 234 F CB -0.897 38.010 39.000 -0.155 0.000 1.060 234 F HN -0.252 nan 8.300 nan 0.000 0.576 235 G N 0.238 109.145 108.800 0.177 0.000 2.441 235 G HA2 0.267 4.233 3.960 0.009 0.000 0.243 235 G HA3 0.267 4.233 3.960 0.009 0.000 0.243 235 G C 0.147 175.132 174.900 0.143 0.000 1.281 235 G CA -0.355 44.859 45.100 0.190 0.000 0.854 235 G HN 0.503 nan 8.290 nan 0.000 0.560 236 C N 1.773 121.172 119.300 0.165 0.000 2.422 236 C HA 0.646 5.111 4.460 0.009 0.000 0.301 236 C C 1.985 177.101 174.990 0.210 0.000 1.444 236 C CA -0.506 58.624 59.018 0.187 0.000 1.771 236 C CB -0.764 27.131 27.740 0.259 0.000 2.834 236 C HN 0.840 nan 8.230 nan 0.000 0.545 237 A N 0.008 122.938 122.820 0.182 0.000 1.883 237 A HA -0.153 4.172 4.320 0.009 0.000 0.217 237 A C 1.506 179.105 177.584 0.026 0.000 1.186 237 A CA 1.858 53.980 52.037 0.142 0.000 0.624 237 A CB -0.856 18.236 19.000 0.152 0.000 0.822 237 A HN 0.760 nan 8.150 nan 0.000 0.444 238 C N 0.822 120.157 119.300 0.057 0.000 2.554 238 C HA 0.377 4.843 4.460 0.009 0.000 0.434 238 C C 1.686 176.755 174.990 0.132 0.000 1.316 238 C CA 0.587 59.636 59.018 0.052 0.000 1.671 238 C CB -2.025 25.753 27.740 0.063 0.000 2.172 238 C HN 0.702 nan 8.230 nan 0.000 0.601 239 T N -3.688 110.892 114.554 0.042 0.000 3.262 239 T HA 0.259 4.614 4.350 0.009 0.000 0.300 239 T C 0.105 174.817 174.700 0.021 0.000 0.959 239 T CA 0.062 62.148 62.100 -0.024 0.000 0.936 239 T CB -0.440 68.354 68.868 -0.123 0.000 1.169 239 T HN 0.294 nan 8.240 nan 0.000 0.532 240 V N -0.067 119.776 119.914 -0.118 0.000 3.211 240 V HA 1.027 5.153 4.120 0.009 0.000 0.319 240 V C -0.339 175.652 176.094 -0.170 0.000 1.096 240 V CA -0.396 61.769 62.300 -0.225 0.000 1.029 240 V CB 1.343 32.739 31.823 -0.712 0.000 1.137 240 V HN 0.907 nan 8.190 nan 0.000 0.453 241 S N -0.617 114.976 115.700 -0.179 0.000 2.614 241 S HA 0.487 4.963 4.470 0.009 0.000 0.280 241 S C -2.599 171.924 174.600 -0.128 0.000 1.111 241 S CA -0.425 57.709 58.200 -0.109 0.000 0.847 241 S CB 1.019 64.267 63.200 0.081 0.000 1.079 241 S HN 0.473 nan 8.310 nan 0.000 0.452 242 P HA -0.159 nan 4.420 nan 0.000 0.216 242 P C 1.627 178.969 177.300 0.070 0.000 1.157 242 P CA 1.518 64.427 63.100 -0.318 0.000 0.880 242 P CB 0.036 31.452 31.700 -0.473 0.000 0.791 243 R N -0.146 120.450 120.500 0.161 0.000 2.075 243 R HA -0.006 4.339 4.340 0.009 0.000 0.232 243 R C 2.118 178.588 176.300 0.284 0.000 1.126 243 R CA 1.830 58.095 56.100 0.275 0.000 0.963 243 R CB -1.460 29.067 30.300 0.378 0.000 0.858 243 R HN 0.053 nan 8.270 nan 0.000 0.435 244 A N 0.467 123.340 122.820 0.088 0.000 1.877 244 A HA -0.118 4.208 4.320 0.009 0.000 0.216 244 A C 2.239 179.958 177.584 0.225 0.000 1.186 244 A CA 1.614 53.595 52.037 -0.092 0.000 0.620 244 A CB -0.702 18.044 19.000 -0.424 0.000 0.822 244 A HN 0.343 nan 8.150 nan 0.000 0.443 245 L N -0.412 120.947 121.223 0.226 0.000 2.017 245 L HA -0.204 4.141 4.340 0.009 0.000 0.208 245 L C 2.173 179.197 176.870 0.257 0.000 1.073 245 L CA 1.578 56.567 54.840 0.248 0.000 0.745 245 L CB -0.685 41.501 42.059 0.211 0.000 0.894 245 L HN 0.310 nan 8.230 nan 0.000 0.432 246 D N -0.149 120.411 120.400 0.266 0.000 2.117 246 D HA -0.176 4.469 4.640 0.009 0.000 0.197 246 D C 1.792 178.207 176.300 0.192 0.000 0.987 246 D CA 1.210 55.350 54.000 0.234 0.000 0.829 246 D CB -0.282 40.667 40.800 0.249 0.000 0.961 246 D HN 0.292 nan 8.370 nan 0.000 0.460 247 D N -0.074 120.460 120.400 0.222 0.000 2.117 247 D HA -0.134 4.511 4.640 0.009 0.000 0.197 247 D C 1.805 178.143 176.300 0.063 0.000 0.987 247 D CA 0.355 54.485 54.000 0.217 0.000 0.829 247 D CB -0.532 40.524 40.800 0.427 0.000 0.961 247 D HN 0.192 nan 8.370 nan 0.000 0.460 248 F N 1.738 121.493 119.950 -0.325 0.000 2.069 248 F HA -0.222 4.310 4.527 0.009 0.000 0.298 248 F C 2.334 178.031 175.800 -0.173 0.000 1.113 248 F CA 1.942 59.607 58.000 -0.557 0.000 1.214 248 F CB -0.097 38.501 39.000 -0.670 0.000 0.978 248 F HN -0.085 nan 8.300 nan 0.000 0.474 249 E N 0.253 120.555 120.200 0.170 0.000 2.086 249 E HA -0.307 4.048 4.350 0.009 0.000 0.200 249 E C 2.212 178.796 176.600 -0.026 0.000 1.012 249 E CA 1.345 57.791 56.400 0.077 0.000 0.812 249 E CB -0.408 29.370 29.700 0.130 0.000 0.743 249 E HN 0.520 nan 8.360 nan 0.000 0.453 250 A N 1.131 123.949 122.820 -0.003 0.000 1.902 250 A HA -0.175 4.150 4.320 0.009 0.000 0.217 250 A C 2.045 179.585 177.584 -0.074 0.000 1.181 250 A CA 1.558 53.591 52.037 -0.008 0.000 0.623 250 A CB -0.284 18.735 19.000 0.033 0.000 0.818 250 A HN 0.125 nan 8.150 nan 0.000 0.443 251 K N -1.565 118.754 120.400 -0.136 0.000 2.103 251 K HA -0.054 4.272 4.320 0.009 0.000 0.204 251 K C 1.371 177.713 176.600 -0.431 0.000 1.052 251 K CA 1.330 57.469 56.287 -0.246 0.000 0.945 251 K CB -0.286 32.081 32.500 -0.223 0.000 0.722 251 K HN 0.681 nan 8.250 nan 0.000 0.443 252 Y N -0.157 119.841 120.300 -0.503 0.000 2.449 252 Y HA 0.147 4.702 4.550 0.009 0.000 0.254 252 Y C 1.377 177.205 175.900 -0.120 0.000 1.140 252 Y CA 0.356 58.196 58.100 -0.433 0.000 1.272 252 Y CB 0.854 38.734 38.460 -0.967 0.000 1.114 252 Y HN 0.309 nan 8.280 nan 0.000 0.525 253 G N 0.242 109.039 108.800 -0.004 0.000 2.159 253 G HA2 -0.327 3.639 3.960 0.009 0.000 0.256 253 G HA3 -0.327 3.639 3.960 0.009 0.000 0.256 253 G C -0.278 174.758 174.900 0.227 0.000 0.977 253 G CA 0.467 45.625 45.100 0.096 0.000 0.652 253 G HN 0.533 nan 8.290 nan 0.000 0.531 254 Y N -2.230 118.133 120.300 0.105 0.000 2.571 254 Y HA 0.802 5.358 4.550 0.009 0.000 0.341 254 Y C -0.369 175.667 175.900 0.226 0.000 1.076 254 Y CA -1.885 56.299 58.100 0.140 0.000 1.029 254 Y CB 0.964 39.504 38.460 0.133 0.000 1.308 254 Y HN 0.195 nan 8.280 nan 0.000 0.461 255 R N 3.322 123.974 120.500 0.252 0.000 2.265 255 R HA 0.506 4.851 4.340 0.009 0.000 0.314 255 R C -1.112 175.289 176.300 0.167 0.000 1.053 255 R CA -0.515 55.683 56.100 0.164 0.000 0.931 255 R CB 0.550 30.931 30.300 0.135 0.000 1.024 255 R HN 0.906 nan 8.270 nan 0.000 0.457 256 L N 5.327 126.565 121.223 0.025 0.000 2.455 256 L HA 0.186 4.532 4.340 0.009 0.000 0.272 256 L C 0.778 177.645 176.870 -0.005 0.000 1.174 256 L CA 0.182 54.982 54.840 -0.066 0.000 0.869 256 L CB 0.546 42.419 42.059 -0.311 0.000 1.130 256 L HN 0.580 nan 8.230 nan 0.000 0.474 257 R N 3.945 124.419 120.500 -0.043 0.000 2.637 257 R HA 0.147 4.492 4.340 0.009 0.000 0.269 257 R C -1.540 174.651 176.300 -0.182 0.000 1.089 257 R CA -1.507 54.552 56.100 -0.069 0.000 1.177 257 R CB 0.108 30.368 30.300 -0.068 0.000 1.091 257 R HN 0.343 nan 8.270 nan 0.000 0.540 258 P HA -0.192 nan 4.420 nan 0.000 0.218 258 P C 0.761 177.796 177.300 -0.442 0.000 1.148 258 P CA 1.183 63.814 63.100 -0.781 0.000 0.822 258 P CB 0.263 31.559 31.700 -0.673 0.000 0.784 259 E N -0.068 119.969 120.200 -0.270 0.000 2.160 259 E HA -0.189 4.166 4.350 0.009 0.000 0.195 259 E C 1.374 177.832 176.600 -0.236 0.000 0.991 259 E CA 1.221 57.493 56.400 -0.213 0.000 0.810 259 E CB -0.980 28.632 29.700 -0.147 0.000 0.742 259 E HN 0.194 nan 8.360 nan 0.000 0.466 260 D N -1.243 118.979 120.400 -0.297 0.000 2.378 260 D HA -0.116 4.530 4.640 0.009 0.000 0.222 260 D C 0.871 176.775 176.300 -0.660 0.000 0.980 260 D CA 0.680 54.409 54.000 -0.450 0.000 0.907 260 D CB 0.039 40.510 40.800 -0.549 0.000 0.899 260 D HN 0.289 nan 8.370 nan 0.000 0.527 261 F N -0.398 119.358 119.950 -0.323 0.000 2.532 261 F HA -0.035 4.497 4.527 0.009 0.000 0.278 261 F C 2.343 178.001 175.800 -0.236 0.000 0.975 261 F CA 0.035 57.877 58.000 -0.262 0.000 1.292 261 F CB -0.605 38.249 39.000 -0.243 0.000 1.112 261 F HN -0.192 nan 8.300 nan 0.000 0.703 262 V N -1.948 117.869 119.914 -0.161 0.000 2.667 262 V HA -0.062 4.063 4.120 0.009 0.000 0.252 262 V C 0.663 176.497 176.094 -0.433 0.000 1.065 262 V CA 1.268 63.274 62.300 -0.490 0.000 1.083 262 V CB -0.794 30.745 31.823 -0.474 0.000 0.692 262 V HN 0.513 nan 8.190 nan 0.000 0.468 263 D N 0.863 121.113 120.400 -0.249 0.000 2.699 263 D HA -0.111 4.534 4.640 0.009 0.000 0.239 263 D C 1.204 177.413 176.300 -0.152 0.000 1.136 263 D CA 1.454 55.353 54.000 -0.169 0.000 0.668 263 D CB -1.554 39.183 40.800 -0.106 0.000 1.060 263 D HN 1.569 nan 8.370 nan 0.000 0.429 264 G N -0.945 107.755 108.800 -0.165 0.000 2.180 264 G HA2 -0.027 3.939 3.960 0.009 0.000 0.263 264 G HA3 -0.027 3.939 3.960 0.009 0.000 0.263 264 G C 1.449 176.278 174.900 -0.117 0.000 0.989 264 G CA 0.973 46.001 45.100 -0.121 0.000 0.692 264 G HN 1.797 nan 8.290 nan 0.000 0.526 265 G N -2.030 106.649 108.800 -0.202 0.000 2.255 265 G HA2 0.207 4.173 3.960 0.009 0.000 0.196 265 G HA3 0.207 4.173 3.960 0.009 0.000 0.196 265 G C 1.307 176.213 174.900 0.009 0.000 0.998 265 G CA 1.135 46.153 45.100 -0.135 0.000 0.656 265 G HN 1.890 nan 8.290 nan 0.000 0.490 266 A N -0.390 122.428 122.820 -0.005 0.000 2.067 266 A HA 0.479 4.804 4.320 0.009 0.000 0.217 266 A C 1.365 179.099 177.584 0.250 0.000 1.156 266 A CA 1.694 53.804 52.037 0.123 0.000 0.683 266 A CB -0.429 18.618 19.000 0.079 0.000 0.808 266 A HN 1.395 nan 8.150 nan 0.000 0.455 267 Y N -0.995 119.346 120.300 0.067 0.000 3.721 267 Y HA -0.269 4.287 4.550 0.009 0.000 0.218 267 Y C 0.646 176.608 175.900 0.103 0.000 1.188 267 Y CA 0.660 58.811 58.100 0.085 0.000 1.607 267 Y CB -2.426 36.095 38.460 0.102 0.000 1.496 267 Y HN 0.585 nan 8.280 nan 0.000 0.626 268 N N -1.673 117.129 118.700 0.170 0.000 2.747 268 N HA -0.202 4.544 4.740 0.009 0.000 0.249 268 N C 0.268 175.924 175.510 0.245 0.000 1.107 268 N CA 1.133 54.281 53.050 0.164 0.000 0.707 268 N CB -1.152 37.408 38.487 0.122 0.000 1.054 268 N HN 0.571 nan 8.380 nan 0.000 0.555 269 S N -0.516 115.349 115.700 0.274 0.000 2.711 269 S HA 0.077 4.552 4.470 0.009 0.000 0.320 269 S C 1.698 176.539 174.600 0.401 0.000 1.240 269 S CA 0.524 58.931 58.200 0.345 0.000 1.034 269 S CB 0.544 63.940 63.200 0.327 0.000 0.741 269 S HN 0.459 nan 8.310 nan 0.000 0.496 270 A N 4.714 127.809 122.820 0.457 0.000 2.131 270 A HA -0.054 4.272 4.320 0.009 0.000 0.220 270 A C 1.433 179.249 177.584 0.386 0.000 1.158 270 A CA 1.280 53.536 52.037 0.366 0.000 0.665 270 A CB -0.673 18.388 19.000 0.103 0.000 0.795 270 A HN 0.977 nan 8.150 nan 0.000 0.460 271 W N 0.336 121.779 121.300 0.240 0.000 2.584 271 W HA 0.123 4.787 4.660 0.008 0.000 0.264 271 W C 0.949 177.467 176.519 -0.003 0.000 1.264 271 W CA 0.019 57.437 57.345 0.121 0.000 1.306 271 W CB 0.086 29.733 29.460 0.312 0.000 1.110 271 W HN 0.037 nan 8.180 nan 0.000 0.606 272 R N 0.992 121.650 120.500 0.264 0.000 2.491 272 R HA 0.109 4.454 4.340 0.009 0.000 0.283 272 R C -0.096 176.186 176.300 -0.031 0.000 1.072 272 R CA -0.249 55.924 56.100 0.121 0.000 1.048 272 R CB 0.515 30.887 30.300 0.121 0.000 0.983 272 R HN -0.249 nan 8.270 nan 0.000 0.450 273 V N 6.310 126.165 119.914 -0.099 0.000 2.475 273 V HA -0.024 4.101 4.120 0.009 0.000 0.292 273 V C -1.704 174.236 176.094 -0.257 0.000 1.003 273 V CA -0.709 61.456 62.300 -0.225 0.000 1.120 273 V CB -0.043 31.676 31.823 -0.174 0.000 0.937 273 V HN 0.579 nan 8.190 nan 0.000 0.476 274 P HA 0.189 nan 4.420 nan 0.000 0.264 274 P C -0.129 177.020 177.300 -0.252 0.000 1.193 274 P CA 0.156 63.008 63.100 -0.414 0.000 0.763 274 P CB 0.475 31.641 31.700 -0.889 0.000 0.810 275 R N 1.972 122.386 120.500 -0.144 0.000 2.532 275 R HA 0.254 4.599 4.340 0.009 0.000 0.272 275 R C 1.638 177.888 176.300 -0.084 0.000 1.032 275 R CA -0.781 55.249 56.100 -0.117 0.000 1.089 275 R CB 0.806 31.045 30.300 -0.102 0.000 1.098 275 R HN 0.398 nan 8.270 nan 0.000 0.526 276 K N 1.467 121.825 120.400 -0.070 0.000 2.074 276 K HA -0.245 4.080 4.320 0.009 0.000 0.209 276 K C 1.800 178.431 176.600 0.051 0.000 1.048 276 K CA 2.024 58.301 56.287 -0.017 0.000 0.926 276 K CB -0.172 32.305 32.500 -0.038 0.000 0.713 276 K HN 0.698 nan 8.250 nan 0.000 0.444 277 A N 0.935 123.772 122.820 0.028 0.000 1.940 277 A HA -0.237 4.088 4.320 0.009 0.000 0.219 277 A C 2.001 179.567 177.584 -0.031 0.000 1.176 277 A CA 1.634 53.703 52.037 0.054 0.000 0.631 277 A CB -0.500 18.469 19.000 -0.051 0.000 0.814 277 A HN 0.497 nan 8.150 nan 0.000 0.446 278 Q N -0.676 119.098 119.800 -0.043 0.000 2.050 278 Q HA -0.175 4.171 4.340 0.009 0.000 0.202 278 Q C 2.370 178.452 176.000 0.137 0.000 0.980 278 Q CA 1.683 57.501 55.803 0.024 0.000 0.840 278 Q CB -0.203 28.575 28.738 0.067 0.000 0.898 278 Q HN 0.648 nan 8.270 nan 0.000 0.424 279 R N 0.531 121.104 120.500 0.121 0.000 2.092 279 R HA -0.117 4.228 4.340 0.009 0.000 0.231 279 R C 1.733 178.131 176.300 0.164 0.000 1.119 279 R CA 1.294 57.484 56.100 0.150 0.000 0.970 279 R CB -0.168 30.192 30.300 0.101 0.000 0.864 279 R HN 0.275 nan 8.270 nan 0.000 0.440 280 D N 0.118 120.618 120.400 0.165 0.000 2.123 280 D HA -0.231 4.415 4.640 0.009 0.000 0.196 280 D C 1.484 177.870 176.300 0.144 0.000 0.992 280 D CA 0.831 54.902 54.000 0.118 0.000 0.833 280 D CB -0.340 40.550 40.800 0.149 0.000 0.954 280 D HN 0.341 nan 8.370 nan 0.000 0.455 281 W N 1.361 122.644 121.300 -0.027 0.000 2.358 281 W HA -0.129 4.536 4.660 0.009 0.000 0.303 281 W C 2.011 178.605 176.519 0.125 0.000 1.208 281 W CA 0.708 58.048 57.345 -0.009 0.000 1.274 281 W CB -0.286 29.062 29.460 -0.187 0.000 1.138 281 W HN -0.051 nan 8.180 nan 0.000 0.515 282 I N 0.802 121.468 120.570 0.160 0.000 2.208 282 I HA -0.351 3.824 4.170 0.009 0.000 0.245 282 I C 2.134 178.269 176.117 0.029 0.000 1.097 282 I CA 1.766 63.103 61.300 0.061 0.000 1.363 282 I CB -0.691 37.373 38.000 0.107 0.000 1.051 282 I HN -0.161 nan 8.210 nan 0.000 0.413 283 D N 0.567 121.034 120.400 0.112 0.000 2.097 283 D HA -0.223 4.422 4.640 0.009 0.000 0.195 283 D C 1.918 178.322 176.300 0.173 0.000 0.989 283 D CA 1.337 55.433 54.000 0.160 0.000 0.827 283 D CB -0.451 40.504 40.800 0.259 0.000 0.966 283 D HN 0.267 nan 8.370 nan 0.000 0.456 284 F N 1.350 121.311 119.950 0.018 0.000 2.069 284 F HA -0.191 4.341 4.527 0.009 0.000 0.298 284 F C 2.177 177.883 175.800 -0.158 0.000 1.113 284 F CA 0.997 58.985 58.000 -0.019 0.000 1.214 284 F CB -0.570 38.376 39.000 -0.090 0.000 0.978 284 F HN -0.110 nan 8.300 nan 0.000 0.474 285 L N 0.526 121.438 121.223 -0.519 0.000 2.046 285 L HA -0.188 4.158 4.340 0.009 0.000 0.208 285 L C 2.797 179.553 176.870 -0.189 0.000 1.077 285 L CA 2.229 56.745 54.840 -0.540 0.000 0.747 285 L CB -1.026 40.701 42.059 -0.554 0.000 0.896 285 L HN 0.428 nan 8.230 nan 0.000 0.432 286 S N -1.603 114.033 115.700 -0.107 0.000 2.406 286 S HA -0.044 4.432 4.470 0.009 0.000 0.228 286 S C 2.142 176.733 174.600 -0.016 0.000 1.020 286 S CA 0.570 58.755 58.200 -0.025 0.000 0.965 286 S CB -1.331 61.869 63.200 -0.000 0.000 0.798 286 S HN 0.441 nan 8.310 nan 0.000 0.488 287 G N 1.208 109.996 108.800 -0.019 0.000 2.476 287 G HA2 -0.212 3.754 3.960 0.009 0.000 0.218 287 G HA3 -0.212 3.754 3.960 0.009 0.000 0.218 287 G C 1.201 176.087 174.900 -0.023 0.000 1.164 287 G CA 1.035 46.130 45.100 -0.009 0.000 0.768 287 G HN 0.546 nan 8.290 nan 0.000 0.560 288 F N 1.141 120.974 119.950 -0.195 0.000 2.084 288 F HA -0.030 4.502 4.527 0.009 0.000 0.296 288 F C 2.718 178.468 175.800 -0.084 0.000 1.111 288 F CA 1.453 59.356 58.000 -0.161 0.000 1.224 288 F CB -0.421 38.452 39.000 -0.212 0.000 0.991 288 F HN 0.002 nan 8.300 nan 0.000 0.471 289 V N 1.183 121.051 119.914 -0.077 0.000 2.287 289 V HA -0.325 3.801 4.120 0.009 0.000 0.248 289 V C 2.566 178.591 176.094 -0.114 0.000 1.053 289 V CA 2.419 64.710 62.300 -0.016 0.000 1.027 289 V CB -0.751 31.209 31.823 0.229 0.000 0.646 289 V HN 0.288 nan 8.190 nan 0.000 0.447 290 R N 0.170 120.605 120.500 -0.108 0.000 2.081 290 R HA -0.198 4.148 4.340 0.009 0.000 0.235 290 R C 2.415 178.600 176.300 -0.191 0.000 1.131 290 R CA 1.763 57.780 56.100 -0.140 0.000 0.960 290 R CB -0.377 29.878 30.300 -0.075 0.000 0.856 290 R HN 0.852 nan 8.270 nan 0.000 0.436 291 E N 0.423 120.501 120.200 -0.205 0.000 2.118 291 E HA -0.195 4.160 4.350 0.009 0.000 0.195 291 E C 1.386 177.837 176.600 -0.248 0.000 0.992 291 E CA 1.192 57.464 56.400 -0.213 0.000 0.804 291 E CB -0.273 29.311 29.700 -0.194 0.000 0.741 291 E HN 0.308 nan 8.360 nan 0.000 0.458 292 N N 0.727 119.229 118.700 -0.330 0.000 2.300 292 N HA -0.062 4.683 4.740 0.009 0.000 0.179 292 N C 2.029 177.535 175.510 -0.005 0.000 1.016 292 N CA 1.133 54.051 53.050 -0.220 0.000 0.876 292 N CB 0.165 38.259 38.487 -0.656 0.000 0.979 292 N HN 0.097 nan 8.380 nan 0.000 0.432 293 V N 1.987 121.814 119.914 -0.146 0.000 2.343 293 V HA -0.198 3.927 4.120 0.009 0.000 0.247 293 V C 2.522 178.372 176.094 -0.408 0.000 1.051 293 V CA 1.407 63.376 62.300 -0.553 0.000 1.036 293 V CB -0.436 30.828 31.823 -0.930 0.000 0.654 293 V HN 0.285 nan 8.190 nan 0.000 0.451 294 K N -0.184 120.041 120.400 -0.292 0.000 2.074 294 K HA -0.308 4.018 4.320 0.009 0.000 0.209 294 K C 2.307 178.805 176.600 -0.169 0.000 1.048 294 K CA 2.228 58.381 56.287 -0.225 0.000 0.926 294 K CB -0.147 32.245 32.500 -0.180 0.000 0.713 294 K HN 0.551 nan 8.250 nan 0.000 0.444 295 Q N 0.624 120.344 119.800 -0.134 0.000 2.020 295 Q HA -0.169 4.176 4.340 0.009 0.000 0.202 295 Q C 2.231 178.256 176.000 0.041 0.000 0.982 295 Q CA 1.622 57.367 55.803 -0.097 0.000 0.838 295 Q CB -0.107 28.472 28.738 -0.265 0.000 0.899 295 Q HN 0.355 nan 8.270 nan 0.000 0.423 296 L N 0.173 121.457 121.223 0.101 0.000 2.021 296 L HA -0.269 4.076 4.340 0.009 0.000 0.215 296 L C 2.593 179.444 176.870 -0.031 0.000 1.074 296 L CA 1.363 56.193 54.840 -0.018 0.000 0.760 296 L CB -0.759 41.018 42.059 -0.469 0.000 0.889 296 L HN 0.357 nan 8.230 nan 0.000 0.433 297 A N -0.373 122.324 122.820 -0.205 0.000 1.898 297 A HA -0.213 4.112 4.320 0.009 0.000 0.216 297 A C 1.911 179.208 177.584 -0.479 0.000 1.181 297 A CA 1.889 53.727 52.037 -0.332 0.000 0.620 297 A CB -0.489 18.306 19.000 -0.343 0.000 0.819 297 A HN 0.370 nan 8.150 nan 0.000 0.442 298 D N -0.318 119.955 120.400 -0.212 0.000 2.117 298 D HA -0.143 4.503 4.640 0.009 0.000 0.197 298 D C 1.985 178.289 176.300 0.007 0.000 0.987 298 D CA 1.443 55.397 54.000 -0.078 0.000 0.829 298 D CB -0.361 40.417 40.800 -0.035 0.000 0.961 298 D HN 0.493 nan 8.370 nan 0.000 0.460 299 M N 0.260 119.911 119.600 0.085 0.000 2.175 299 M HA -0.113 4.372 4.480 0.009 0.000 0.264 299 M C 2.295 178.690 176.300 0.157 0.000 1.063 299 M CA 0.907 56.302 55.300 0.158 0.000 1.119 299 M CB -0.015 32.779 32.600 0.324 0.000 1.377 299 M HN -0.129 nan 8.290 nan 0.000 0.415 300 S N -0.493 115.351 115.700 0.239 0.000 2.353 300 S HA -0.186 4.290 4.470 0.009 0.000 0.222 300 S C 1.621 176.325 174.600 0.173 0.000 1.035 300 S CA 1.403 59.735 58.200 0.220 0.000 1.025 300 S CB -0.784 62.584 63.200 0.280 0.000 0.902 300 S HN 0.582 nan 8.310 nan 0.000 0.440 301 H N 0.912 120.054 119.070 0.120 0.000 2.387 301 H HA 0.041 4.603 4.556 0.009 0.000 0.299 301 H C 2.389 177.743 175.328 0.044 0.000 1.090 301 H CA 0.785 56.876 56.048 0.071 0.000 1.332 301 H CB -0.124 29.669 29.762 0.053 0.000 1.386 301 H HN 0.446 nan 8.280 nan 0.000 0.516 302 A N 1.044 123.955 122.820 0.152 0.000 2.015 302 A HA 0.047 4.372 4.320 0.009 0.000 0.219 302 A C 2.318 179.928 177.584 0.043 0.000 1.163 302 A CA 1.071 53.154 52.037 0.077 0.000 0.646 302 A CB -0.437 18.592 19.000 0.048 0.000 0.806 302 A HN 0.439 nan 8.150 nan 0.000 0.448 303 A N -1.498 121.345 122.820 0.038 0.000 2.259 303 A HA 0.422 4.747 4.320 0.009 0.000 0.208 303 A C 1.642 179.236 177.584 0.016 0.000 1.201 303 A CA 1.043 53.079 52.037 -0.001 0.000 0.824 303 A CB -1.027 17.942 19.000 -0.052 0.000 0.838 303 A HN 1.827 nan 8.150 nan 0.000 0.485 304 G N -0.466 108.367 108.800 0.055 0.000 2.147 304 G HA2 -0.245 3.720 3.960 0.009 0.000 0.244 304 G HA3 -0.245 3.720 3.960 0.009 0.000 0.244 304 G C 0.020 174.966 174.900 0.076 0.000 1.005 304 G CA 0.615 45.748 45.100 0.055 0.000 0.713 304 G HN 0.613 nan 8.290 nan 0.000 0.515 305 K N -0.034 120.439 120.400 0.122 0.000 2.221 305 K HA 0.561 4.887 4.320 0.009 0.000 0.243 305 K C 0.025 176.764 176.600 0.233 0.000 0.968 305 K CA -0.850 55.522 56.287 0.141 0.000 0.846 305 K CB 1.860 34.435 32.500 0.126 0.000 1.141 305 K HN 0.292 nan 8.250 nan 0.000 0.434 306 E N 0.589 120.902 120.200 0.188 0.000 2.313 306 E HA 0.341 4.696 4.350 0.009 0.000 0.272 306 E C -0.890 175.832 176.600 0.202 0.000 1.038 306 E CA -0.677 55.859 56.400 0.227 0.000 0.863 306 E CB 1.469 31.268 29.700 0.164 0.000 1.060 306 E HN 0.548 nan 8.360 nan 0.000 0.402 307 A N 3.478 126.446 122.820 0.245 0.000 2.273 307 A HA 0.459 4.784 4.320 0.009 0.000 0.315 307 A C -0.590 177.107 177.584 0.188 0.000 1.256 307 A CA -0.534 51.674 52.037 0.285 0.000 0.851 307 A CB 0.389 19.559 19.000 0.283 0.000 1.172 307 A HN 0.658 nan 8.150 nan 0.000 0.508 308 M N 4.462 124.155 119.600 0.154 0.000 2.311 308 M HA 0.632 5.117 4.480 0.009 0.000 0.325 308 M C -1.061 175.320 176.300 0.135 0.000 1.061 308 M CA -0.522 54.806 55.300 0.046 0.000 0.957 308 M CB 1.445 33.988 32.600 -0.095 0.000 1.646 308 M HN 0.781 nan 8.290 nan 0.000 0.434 309 M N 4.978 124.656 119.600 0.130 0.000 2.205 309 M HA 0.377 4.862 4.480 0.009 0.000 0.344 309 M C -1.661 174.722 176.300 0.138 0.000 1.085 309 M CA -0.668 54.708 55.300 0.126 0.000 1.001 309 M CB 1.109 33.877 32.600 0.280 0.000 1.626 309 M HN 0.814 nan 8.290 nan 0.000 0.442 310 F N 6.055 125.965 119.950 -0.066 0.000 2.506 310 F HA 0.232 4.763 4.527 0.008 0.000 0.371 310 F C -0.634 175.131 175.800 -0.058 0.000 1.078 310 F CA -0.566 57.399 58.000 -0.059 0.000 1.195 310 F CB 0.477 39.436 39.000 -0.068 0.000 1.099 310 F HN 0.563 nan 8.300 nan 0.000 0.548 311 L N 7.352 128.240 121.223 -0.558 0.000 2.382 311 L HA 0.497 4.842 4.340 0.009 0.000 0.259 311 L C 0.162 176.255 176.870 -1.294 0.000 1.291 311 L CA 0.641 55.039 54.840 -0.736 0.000 1.176 311 L CB -1.042 40.744 42.059 -0.455 0.000 1.373 311 L HN 0.798 nan 8.230 nan 0.000 0.426 312 G N 1.196 109.237 108.800 -1.265 0.000 2.315 312 G HA2 0.302 4.268 3.960 0.009 0.000 0.294 312 G HA3 0.302 4.268 3.960 0.009 0.000 0.294 312 G C -0.803 174.074 174.900 -0.038 0.000 1.300 312 G CA -0.172 44.385 45.100 -0.906 0.000 0.843 312 G HN 0.265 nan 8.290 nan 0.000 0.527 313 D N -0.680 120.019 120.400 0.499 0.000 3.899 313 D HA -0.212 4.433 4.640 0.009 0.000 0.146 313 D C 1.197 177.737 176.300 0.400 0.000 0.820 313 D CA 2.087 56.360 54.000 0.455 0.000 1.056 313 D CB -0.656 40.352 40.800 0.346 0.000 0.474 313 D HN 0.609 nan 8.370 nan 0.000 0.457 314 Q N 1.093 121.039 119.800 0.243 0.000 3.179 314 Q HA 0.141 4.486 4.340 0.009 0.000 0.328 314 Q C 0.691 176.854 176.000 0.272 0.000 1.336 314 Q CA -0.112 55.806 55.803 0.192 0.000 0.939 314 Q CB -0.621 28.159 28.738 0.070 0.000 1.658 314 Q HN 0.548 nan 8.270 nan 0.000 0.486 315 W N -0.623 120.709 121.300 0.055 0.000 3.220 315 W HA 0.285 4.951 4.660 0.010 0.000 0.328 315 W C -0.850 175.699 176.519 0.050 0.000 1.205 315 W CA -0.548 56.817 57.345 0.033 0.000 1.773 315 W CB 0.113 29.505 29.460 -0.114 0.000 1.086 315 W HN 0.013 nan 8.180 nan 0.000 0.622 316 I N 2.554 122.941 120.570 -0.305 0.000 2.618 316 I HA 0.212 4.387 4.170 0.009 0.000 0.284 316 I C 1.708 177.779 176.117 -0.076 0.000 1.146 316 I CA 1.596 62.672 61.300 -0.373 0.000 1.425 316 I CB -0.245 37.667 38.000 -0.145 0.000 1.383 316 I HN 0.441 nan 8.210 nan 0.000 0.562 317 G N 4.514 113.225 108.800 -0.148 0.000 2.217 317 G HA2 -0.337 3.628 3.960 0.009 0.000 0.246 317 G HA3 -0.337 3.628 3.960 0.009 0.000 0.246 317 G C 0.936 175.843 174.900 0.011 0.000 0.990 317 G CA 0.680 45.763 45.100 -0.028 0.000 0.627 317 G HN 0.669 nan 8.290 nan 0.000 0.522 318 T N -1.270 113.298 114.554 0.024 0.000 2.896 318 T HA 0.256 4.611 4.350 0.009 0.000 0.263 318 T C 0.835 175.632 174.700 0.163 0.000 1.050 318 T CA 1.249 63.448 62.100 0.165 0.000 1.140 318 T CB -0.117 68.951 68.868 0.333 0.000 0.877 318 T HN 0.747 nan 8.240 nan 0.000 0.457 319 E N 1.823 122.018 120.200 -0.008 0.000 2.369 319 E HA -0.119 4.236 4.350 0.009 0.000 0.165 319 E C -1.814 174.675 176.600 -0.184 0.000 1.622 319 E CA 0.614 56.983 56.400 -0.051 0.000 0.660 319 E CB -0.993 28.702 29.700 -0.008 0.000 1.085 319 E HN 0.467 nan 8.360 nan 0.000 0.346 320 P HA -0.152 nan 4.420 nan 0.000 0.222 320 P C 0.915 177.700 177.300 -0.859 0.000 1.147 320 P CA 1.299 63.570 63.100 -1.382 0.000 0.790 320 P CB 0.030 31.116 31.700 -1.023 0.000 0.780 321 Y N -0.544 119.604 120.300 -0.252 0.000 2.458 321 Y HA 0.239 4.794 4.550 0.009 0.000 0.256 321 Y C 1.218 177.091 175.900 -0.046 0.000 1.159 321 Y CA -0.162 57.870 58.100 -0.114 0.000 1.261 321 Y CB 0.136 38.546 38.460 -0.084 0.000 1.119 321 Y HN -0.184 nan 8.280 nan 0.000 0.524 322 K N 1.155 121.598 120.400 0.072 0.000 2.144 322 K HA 0.099 4.424 4.320 0.009 0.000 0.270 322 K C -0.537 176.127 176.600 0.106 0.000 1.005 322 K CA -0.735 55.606 56.287 0.090 0.000 0.932 322 K CB 0.547 33.094 32.500 0.078 0.000 1.021 322 K HN -0.012 nan 8.250 nan 0.000 0.462 323 D N 0.589 121.048 120.400 0.098 0.000 2.478 323 D HA -0.001 4.644 4.640 0.009 0.000 0.234 323 D C 1.246 177.609 176.300 0.104 0.000 1.154 323 D CA 1.433 55.491 54.000 0.096 0.000 0.874 323 D CB 0.700 41.543 40.800 0.072 0.000 1.198 323 D HN 0.830 nan 8.370 nan 0.000 0.455 324 G N 1.015 109.877 108.800 0.102 0.000 2.194 324 G HA2 -0.350 3.615 3.960 0.009 0.000 0.236 324 G HA3 -0.350 3.615 3.960 0.009 0.000 0.236 324 G C 0.827 175.785 174.900 0.097 0.000 0.987 324 G CA 0.206 45.353 45.100 0.078 0.000 0.635 324 G HN 0.458 nan 8.290 nan 0.000 0.520 325 F N 2.947 122.891 119.950 -0.010 0.000 2.171 325 F HA -0.027 4.506 4.527 0.009 0.000 0.300 325 F C 2.503 178.289 175.800 -0.023 0.000 1.090 325 F CA 2.295 60.281 58.000 -0.024 0.000 1.293 325 F CB -0.010 38.970 39.000 -0.033 0.000 1.013 325 F HN 0.339 nan 8.300 nan 0.000 0.486 326 D N -0.152 120.277 120.400 0.049 0.000 2.265 326 D HA -0.239 4.407 4.640 0.009 0.000 0.208 326 D C 1.495 177.746 176.300 -0.082 0.000 0.977 326 D CA 1.434 55.420 54.000 -0.023 0.000 0.871 326 D CB -0.883 39.942 40.800 0.042 0.000 0.925 326 D HN 0.482 nan 8.370 nan 0.000 0.485 327 E N -0.000 120.152 120.200 -0.080 0.000 2.358 327 E HA 0.057 4.413 4.350 0.009 0.000 0.195 327 E C 2.245 178.769 176.600 -0.128 0.000 1.010 327 E CA -0.029 56.325 56.400 -0.078 0.000 0.856 327 E CB 0.001 29.671 29.700 -0.050 0.000 0.795 327 E HN 0.335 nan 8.360 nan 0.000 0.504 328 L N -0.271 120.814 121.223 -0.230 0.000 2.131 328 L HA -0.061 4.284 4.340 0.009 0.000 0.210 328 L C 1.692 178.444 176.870 -0.196 0.000 1.092 328 L CA 0.941 55.612 54.840 -0.282 0.000 0.759 328 L CB -0.560 41.204 42.059 -0.493 0.000 0.903 328 L HN 0.357 nan 8.230 nan 0.000 0.435 329 G N 0.381 109.092 108.800 -0.147 0.000 2.143 329 G HA2 -0.285 3.681 3.960 0.009 0.000 0.248 329 G HA3 -0.285 3.681 3.960 0.009 0.000 0.248 329 G C 0.208 175.139 174.900 0.053 0.000 0.991 329 G CA -0.176 44.923 45.100 -0.000 0.000 0.689 329 G HN 0.223 nan 8.290 nan 0.000 0.522 330 L N 0.495 121.651 121.223 -0.112 0.000 2.525 330 L HA 0.149 4.494 4.340 0.009 0.000 0.278 330 L C 1.509 178.380 176.870 0.002 0.000 1.218 330 L CA 0.136 54.944 54.840 -0.054 0.000 0.878 330 L CB 0.371 42.345 42.059 -0.141 0.000 1.127 330 L HN 0.167 nan 8.230 nan 0.000 0.492 331 D N 2.083 122.508 120.400 0.042 0.000 2.194 331 D HA 0.099 4.744 4.640 0.009 0.000 0.204 331 D C 0.416 176.532 176.300 -0.307 0.000 0.964 331 D CA 0.950 54.927 54.000 -0.037 0.000 0.846 331 D CB 0.558 41.392 40.800 0.056 0.000 0.962 331 D HN 0.604 nan 8.370 nan 0.000 0.490 332 A N 0.211 122.849 122.820 -0.303 0.000 2.604 332 A HA 0.514 4.839 4.320 0.009 0.000 0.295 332 A C -1.293 176.214 177.584 -0.128 0.000 1.067 332 A CA -0.563 51.202 52.037 -0.453 0.000 0.683 332 A CB 1.839 20.256 19.000 -0.971 0.000 1.281 332 A HN -0.086 nan 8.150 nan 0.000 0.407 333 V N 0.877 120.756 119.914 -0.059 0.000 2.555 333 V HA 0.679 4.805 4.120 0.009 0.000 0.302 333 V C -0.357 175.767 176.094 0.049 0.000 1.038 333 V CA -0.596 61.727 62.300 0.038 0.000 0.887 333 V CB 1.503 33.364 31.823 0.063 0.000 0.991 333 V HN 0.998 nan 8.190 nan 0.000 0.434 334 V N 4.061 124.034 119.914 0.098 0.000 2.628 334 V HA 1.028 5.153 4.120 0.009 0.000 0.306 334 V C 0.197 176.390 176.094 0.165 0.000 1.045 334 V CA 0.384 62.773 62.300 0.148 0.000 0.905 334 V CB 1.804 33.743 31.823 0.193 0.000 0.997 334 V HN 1.042 nan 8.190 nan 0.000 0.436 335 G N 2.896 111.764 108.800 0.113 0.000 2.695 335 G HA2 0.551 4.516 3.960 0.009 0.000 0.290 335 G HA3 0.551 4.516 3.960 0.009 0.000 0.290 335 G C -1.059 173.873 174.900 0.052 0.000 1.410 335 G CA -0.570 44.555 45.100 0.041 0.000 0.844 335 G HN 0.867 nan 8.290 nan 0.000 0.478 336 S N 0.538 116.251 115.700 0.021 0.000 2.505 336 S HA 0.337 4.812 4.470 0.009 0.000 0.276 336 S C 0.222 174.766 174.600 -0.093 0.000 1.274 336 S CA -0.467 57.718 58.200 -0.024 0.000 1.053 336 S CB 0.994 64.183 63.200 -0.019 0.000 0.919 336 S HN 0.380 nan 8.310 nan 0.000 0.490 337 I N 3.801 124.234 120.570 -0.228 0.000 2.308 337 I HA 0.202 4.378 4.170 0.009 0.000 0.293 337 I C 1.306 177.307 176.117 -0.194 0.000 1.078 337 I CA 0.081 61.181 61.300 -0.334 0.000 1.292 337 I CB 0.020 37.534 38.000 -0.810 0.000 1.423 337 I HN 0.921 nan 8.210 nan 0.000 0.493 338 G N 5.296 114.010 108.800 -0.144 0.000 2.784 338 G HA2 0.175 4.140 3.960 0.009 0.000 0.208 338 G HA3 0.175 4.140 3.960 0.009 0.000 0.208 338 G C 0.024 174.864 174.900 -0.101 0.000 1.120 338 G CA 0.255 45.288 45.100 -0.111 0.000 0.774 338 G HN 0.640 nan 8.290 nan 0.000 0.528 339 D N -3.466 116.854 120.400 -0.133 0.000 2.893 339 D HA 0.216 4.861 4.640 0.009 0.000 0.346 339 D C 1.244 177.428 176.300 -0.195 0.000 1.402 339 D CA 0.099 54.021 54.000 -0.131 0.000 0.815 339 D CB 0.145 40.891 40.800 -0.090 0.000 1.403 339 D HN 0.008 nan 8.370 nan 0.000 0.484 340 G N -0.738 107.912 108.800 -0.250 0.000 2.418 340 G HA2 -0.196 3.769 3.960 0.009 0.000 0.217 340 G HA3 -0.196 3.769 3.960 0.009 0.000 0.217 340 G C 1.131 175.805 174.900 -0.377 0.000 1.158 340 G CA 1.859 46.774 45.100 -0.309 0.000 0.771 340 G HN 0.524 nan 8.290 nan 0.000 0.545 341 T N 1.218 115.564 114.554 -0.346 0.000 2.708 341 T HA -0.152 4.203 4.350 0.009 0.000 0.266 341 T C 2.816 177.373 174.700 -0.239 0.000 1.037 341 T CA 2.198 64.112 62.100 -0.309 0.000 1.146 341 T CB -0.695 68.011 68.868 -0.271 0.000 0.865 341 T HN 0.563 nan 8.240 nan 0.000 0.435 342 T N 0.400 114.833 114.554 -0.202 0.000 2.915 342 T HA -0.094 4.261 4.350 0.009 0.000 0.269 342 T C 2.066 176.669 174.700 -0.162 0.000 1.071 342 T CA 1.473 63.463 62.100 -0.184 0.000 1.132 342 T CB -0.973 67.722 68.868 -0.288 0.000 0.878 342 T HN 0.286 nan 8.240 nan 0.000 0.479 343 T N 1.858 116.281 114.554 -0.219 0.000 2.708 343 T HA -0.038 4.318 4.350 0.009 0.000 0.266 343 T C 2.195 176.764 174.700 -0.217 0.000 1.037 343 T CA 0.880 62.859 62.100 -0.201 0.000 1.146 343 T CB -0.173 68.575 68.868 -0.201 0.000 0.865 343 T HN 0.261 nan 8.240 nan 0.000 0.435 344 R N 0.871 121.121 120.500 -0.417 0.000 2.115 344 R HA 0.156 4.501 4.340 0.009 0.000 0.230 344 R C 2.446 178.580 176.300 -0.276 0.000 1.111 344 R CA 0.833 56.559 56.100 -0.624 0.000 0.976 344 R CB -0.760 28.500 30.300 -1.734 0.000 0.870 344 R HN 0.489 nan 8.270 nan 0.000 0.445 345 M N -0.009 119.538 119.600 -0.088 0.000 2.106 345 M HA -0.213 4.272 4.480 0.009 0.000 0.259 345 M C 2.147 178.577 176.300 0.217 0.000 1.068 345 M CA 1.840 57.263 55.300 0.204 0.000 1.100 345 M CB -0.458 32.258 32.600 0.193 0.000 1.351 345 M HN 0.037 nan 8.290 nan 0.000 0.404 346 I N -0.383 120.229 120.570 0.069 0.000 2.235 346 I HA -0.129 4.046 4.170 0.009 0.000 0.241 346 I C 2.733 178.893 176.117 0.070 0.000 1.085 346 I CA 1.005 62.331 61.300 0.045 0.000 1.378 346 I CB -0.640 37.368 38.000 0.013 0.000 1.076 346 I HN 0.193 nan 8.210 nan 0.000 0.415 347 A N 0.510 123.365 122.820 0.058 0.000 1.940 347 A HA -0.240 4.085 4.320 0.009 0.000 0.219 347 A C 1.722 179.384 177.584 0.129 0.000 1.176 347 A CA 2.241 54.329 52.037 0.085 0.000 0.631 347 A CB -0.649 18.375 19.000 0.040 0.000 0.814 347 A HN 0.372 nan 8.150 nan 0.000 0.446 348 D N -0.601 119.920 120.400 0.201 0.000 2.349 348 D HA 0.150 4.795 4.640 0.009 0.000 0.224 348 D C 0.295 176.759 176.300 0.273 0.000 1.029 348 D CA 0.035 54.228 54.000 0.321 0.000 0.879 348 D CB -0.196 40.928 40.800 0.540 0.000 0.906 348 D HN 0.463 nan 8.370 nan 0.000 0.528 349 I N 3.246 123.840 120.570 0.040 0.000 2.662 349 I HA 0.048 4.223 4.170 0.009 0.000 0.285 349 I C -1.760 174.314 176.117 -0.071 0.000 1.161 349 I CA -1.166 59.955 61.300 -0.298 0.000 1.415 349 I CB 0.441 38.233 38.000 -0.346 0.000 1.385 349 I HN -0.129 nan 8.210 nan 0.000 0.552 350 P HA 0.305 nan 4.420 nan 0.000 0.283 350 P C 0.375 177.750 177.300 0.125 0.000 1.271 350 P CA -0.256 62.882 63.100 0.063 0.000 0.841 350 P CB 1.481 33.231 31.700 0.083 0.000 1.122 351 G N -0.914 107.963 108.800 0.128 0.000 2.141 351 G HA2 -0.118 3.848 3.960 0.009 0.000 0.242 351 G HA3 -0.118 3.848 3.960 0.009 0.000 0.242 351 G C -0.068 174.899 174.900 0.111 0.000 0.982 351 G CA 0.161 45.343 45.100 0.137 0.000 0.662 351 G HN 0.732 nan 8.290 nan 0.000 0.527 352 V N -3.647 116.335 119.914 0.113 0.000 3.019 352 V HA 0.775 4.901 4.120 0.009 0.000 0.317 352 V C 1.277 177.413 176.094 0.070 0.000 1.094 352 V CA -0.333 62.003 62.300 0.061 0.000 1.000 352 V CB 1.581 33.435 31.823 0.051 0.000 1.060 352 V HN 0.059 nan 8.190 nan 0.000 0.443 353 K N 0.560 120.997 120.400 0.062 0.000 2.167 353 K HA 0.180 4.505 4.320 0.009 0.000 0.203 353 K C -0.115 176.651 176.600 0.276 0.000 1.052 353 K CA 1.647 58.029 56.287 0.159 0.000 0.956 353 K CB -0.039 32.590 32.500 0.214 0.000 0.735 353 K HN 0.834 nan 8.250 nan 0.000 0.451 354 Y N -1.967 118.395 120.300 0.104 0.000 2.656 354 Y HA 0.392 4.947 4.550 0.008 0.000 0.334 354 Y C -1.018 174.961 175.900 0.131 0.000 1.179 354 Y CA -1.502 56.671 58.100 0.122 0.000 1.050 354 Y CB 0.995 39.526 38.460 0.119 0.000 1.308 354 Y HN -0.113 nan 8.280 nan 0.000 0.456 355 T N -1.092 113.647 114.554 0.308 0.000 2.916 355 T HA 0.713 5.068 4.350 0.009 0.000 0.292 355 T C -1.317 173.569 174.700 0.309 0.000 1.055 355 T CA -0.750 61.473 62.100 0.205 0.000 1.009 355 T CB 2.539 71.510 68.868 0.171 0.000 1.118 355 T HN 0.941 nan 8.240 nan 0.000 0.497 356 E N -0.162 120.176 120.200 0.230 0.000 2.308 356 E HA 0.564 4.920 4.350 0.009 0.000 0.275 356 E C -0.735 175.962 176.600 0.161 0.000 0.890 356 E CA -1.009 55.535 56.400 0.240 0.000 0.754 356 E CB 1.705 31.570 29.700 0.276 0.000 1.207 356 E HN 1.026 nan 8.360 nan 0.000 0.426 357 G N 3.070 111.974 108.800 0.172 0.000 2.343 357 G HA2 0.293 4.258 3.960 0.009 0.000 0.319 357 G HA3 0.293 4.258 3.960 0.009 0.000 0.319 357 G C -0.693 174.228 174.900 0.035 0.000 1.126 357 G CA -0.540 44.590 45.100 0.050 0.000 0.889 357 G HN 0.263 nan 8.290 nan 0.000 0.457 358 R N 3.161 123.613 120.500 -0.079 0.000 2.204 358 R HA 0.288 4.633 4.340 0.009 0.000 0.341 358 R C -0.835 175.350 176.300 -0.192 0.000 1.035 358 R CA -0.533 55.508 56.100 -0.098 0.000 0.887 358 R CB 0.099 30.369 30.300 -0.049 0.000 1.114 358 R HN 0.407 nan 8.270 nan 0.000 0.473 359 F N 3.052 122.742 119.950 -0.432 0.000 2.375 359 F HA 0.324 4.855 4.527 0.007 0.000 0.313 359 F C 0.925 176.691 175.800 -0.057 0.000 1.176 359 F CA -0.385 57.422 58.000 -0.322 0.000 1.142 359 F CB 0.749 39.410 39.000 -0.565 0.000 1.275 359 F HN 0.176 nan 8.300 nan 0.000 0.544 360 L N 2.161 123.576 121.223 0.321 0.000 2.322 360 L HA 0.481 4.827 4.340 0.009 0.000 0.269 360 L C -2.307 174.935 176.870 0.619 0.000 1.012 360 L CA -2.052 53.025 54.840 0.395 0.000 0.815 360 L CB 1.852 44.058 42.059 0.245 0.000 1.295 360 L HN 0.293 nan 8.230 nan 0.000 0.438 361 P HA 0.043 nan 4.420 nan 0.000 0.277 361 P C -1.209 176.451 177.300 0.601 0.000 1.240 361 P CA -0.353 63.029 63.100 0.470 0.000 0.798 361 P CB 0.594 32.470 31.700 0.293 0.000 0.979 362 Y N 1.846 122.342 120.300 0.327 0.000 2.511 362 Y HA 0.101 4.655 4.550 0.007 0.000 0.332 362 Y C 0.189 176.413 175.900 0.539 0.000 1.177 362 Y CA -0.065 58.186 58.100 0.252 0.000 1.422 362 Y CB -0.104 38.413 38.460 0.095 0.000 1.271 362 Y HN 0.138 nan 8.280 nan 0.000 0.550 363 F N 7.975 127.775 119.950 -0.249 0.000 2.651 363 F HA 0.193 4.725 4.527 0.007 0.000 0.347 363 F C -0.515 175.257 175.800 -0.047 0.000 1.284 363 F CA -0.492 57.293 58.000 -0.358 0.000 1.175 363 F CB -1.637 37.079 39.000 -0.474 0.000 1.542 363 F HN 0.277 nan 8.300 nan 0.000 0.661 364 F N 3.229 123.330 119.950 0.251 0.000 2.631 364 F HA 0.458 4.988 4.527 0.006 0.000 0.308 364 F C -1.997 174.010 175.800 0.345 0.000 1.097 364 F CA -2.565 55.632 58.000 0.327 0.000 0.952 364 F CB 2.241 41.502 39.000 0.435 0.000 1.307 364 F HN -0.109 nan 8.300 nan 0.000 0.450 365 P HA -0.080 nan 4.420 nan 0.000 0.226 365 P C 0.853 178.311 177.300 0.264 0.000 1.153 365 P CA 1.247 64.423 63.100 0.126 0.000 0.777 365 P CB -0.001 31.657 31.700 -0.070 0.000 0.794 366 D N -1.621 118.984 120.400 0.340 0.000 2.264 366 D HA -0.096 4.550 4.640 0.009 0.000 0.208 366 D C 1.110 177.633 176.300 0.371 0.000 0.966 366 D CA 1.514 55.696 54.000 0.304 0.000 0.864 366 D CB -1.048 39.946 40.800 0.323 0.000 0.933 366 D HN 0.093 nan 8.370 nan 0.000 0.499 367 T N -1.288 113.472 114.554 0.344 0.000 3.026 367 T HA 0.191 4.546 4.350 0.009 0.000 0.245 367 T C 0.166 174.684 174.700 -0.304 0.000 1.004 367 T CA -0.276 61.859 62.100 0.059 0.000 1.069 367 T CB 0.048 68.890 68.868 -0.042 0.000 1.005 367 T HN 0.003 nan 8.240 nan 0.000 0.472 368 F N 3.779 123.647 119.950 -0.137 0.000 2.541 368 F HA 0.400 4.937 4.527 0.017 0.000 0.351 368 F C -0.334 175.488 175.800 0.037 0.000 1.209 368 F CA -1.358 56.360 58.000 -0.469 0.000 1.277 368 F CB -0.274 38.436 39.000 -0.484 0.000 1.632 368 F HN 0.244 nan 8.300 nan 0.000 0.619 369 Y N -1.521 118.862 120.300 0.138 0.000 2.576 369 Y HA 0.516 5.066 4.550 0.000 0.000 0.346 369 Y C -0.398 175.704 175.900 0.336 0.000 1.018 369 Y CA -1.974 56.279 58.100 0.255 0.000 1.050 369 Y CB 0.655 39.184 38.460 0.114 0.000 1.280 369 Y HN 0.151 nan 8.280 nan 0.000 0.474 370 E N 0.846 121.258 120.200 0.353 0.000 2.376 370 E HA 0.357 4.712 4.350 0.009 0.000 0.266 370 E C 0.776 177.447 176.600 0.119 0.000 1.009 370 E CA 1.308 57.809 56.400 0.169 0.000 0.902 370 E CB 0.191 29.950 29.700 0.099 0.000 0.972 370 E HN 1.105 nan 8.360 nan 0.000 0.439 371 G N 3.581 112.401 108.800 0.033 0.000 2.213 371 G HA2 -0.277 3.689 3.960 0.009 0.000 0.236 371 G HA3 -0.277 3.689 3.960 0.009 0.000 0.236 371 G C 0.233 175.073 174.900 -0.100 0.000 0.991 371 G CA 0.187 45.291 45.100 0.007 0.000 0.629 371 G HN 0.594 nan 8.290 nan 0.000 0.517 372 N N 0.826 119.329 118.700 -0.329 0.000 2.508 372 N HA 0.507 5.252 4.740 0.009 0.000 0.285 372 N C -1.201 174.180 175.510 -0.215 0.000 1.144 372 N CA -0.444 52.337 53.050 -0.447 0.000 0.978 372 N CB 1.343 39.196 38.487 -1.057 0.000 1.180 372 N HN 0.050 nan 8.380 nan 0.000 0.484 373 D N 2.327 122.622 120.400 -0.175 0.000 2.460 373 D HA 0.323 4.969 4.640 0.009 0.000 0.268 373 D C -1.867 174.340 176.300 -0.154 0.000 1.153 373 D CA -1.971 51.977 54.000 -0.086 0.000 0.929 373 D CB 0.900 41.694 40.800 -0.010 0.000 1.015 373 D HN 0.393 nan 8.370 nan 0.000 0.502 374 P HA -0.150 nan 4.420 nan 0.000 0.223 374 P C 1.301 178.614 177.300 0.021 0.000 1.144 374 P CA 0.651 63.473 63.100 -0.463 0.000 0.783 374 P CB 0.132 30.996 31.700 -1.393 0.000 0.771 375 S N -0.383 115.433 115.700 0.193 0.000 2.399 375 S HA -0.136 4.340 4.470 0.009 0.000 0.231 375 S C 2.031 176.735 174.600 0.172 0.000 1.022 375 S CA 0.755 59.121 58.200 0.276 0.000 0.983 375 S CB -1.479 61.834 63.200 0.187 0.000 0.803 375 S HN 0.088 nan 8.310 nan 0.000 0.480 376 I N 2.054 122.687 120.570 0.106 0.000 2.142 376 I HA -0.195 3.980 4.170 0.009 0.000 0.240 376 I C 3.010 179.199 176.117 0.121 0.000 1.078 376 I CA 2.044 63.399 61.300 0.091 0.000 1.343 376 I CB -0.483 37.548 38.000 0.052 0.000 1.046 376 I HN 0.451 nan 8.210 nan 0.000 0.405 377 E N 1.170 121.434 120.200 0.108 0.000 2.077 377 E HA -0.201 4.155 4.350 0.009 0.000 0.193 377 E C 2.249 178.997 176.600 0.246 0.000 0.989 377 E CA 1.386 57.871 56.400 0.143 0.000 0.800 377 E CB -0.229 29.528 29.700 0.095 0.000 0.746 377 E HN 0.516 nan 8.360 nan 0.000 0.452 378 G N 1.479 110.476 108.800 0.328 0.000 2.446 378 G HA2 -0.260 3.706 3.960 0.009 0.000 0.217 378 G HA3 -0.260 3.706 3.960 0.009 0.000 0.217 378 G C 1.570 176.692 174.900 0.370 0.000 1.168 378 G CA 0.607 45.975 45.100 0.448 0.000 0.771 378 G HN 0.274 nan 8.290 nan 0.000 0.551 379 L N 0.013 121.408 121.223 0.285 0.000 2.179 379 L HA 0.011 4.356 4.340 0.009 0.000 0.208 379 L C 2.519 179.572 176.870 0.304 0.000 1.096 379 L CA 1.216 56.241 54.840 0.309 0.000 0.779 379 L CB -0.198 41.990 42.059 0.216 0.000 0.922 379 L HN 0.213 nan 8.230 nan 0.000 0.443 380 D N 0.182 120.719 120.400 0.228 0.000 2.097 380 D HA -0.260 4.386 4.640 0.009 0.000 0.195 380 D C 1.874 178.292 176.300 0.196 0.000 0.989 380 D CA 1.385 55.492 54.000 0.178 0.000 0.827 380 D CB -0.101 40.783 40.800 0.139 0.000 0.966 380 D HN 0.218 nan 8.370 nan 0.000 0.456 381 N N -0.391 118.464 118.700 0.257 0.000 2.120 381 N HA -0.172 4.574 4.740 0.009 0.000 0.188 381 N C 2.066 177.809 175.510 0.387 0.000 1.024 381 N CA 1.017 54.231 53.050 0.274 0.000 0.852 381 N CB -0.469 38.214 38.487 0.328 0.000 1.003 381 N HN 0.468 nan 8.380 nan 0.000 0.424 382 W N 2.162 123.640 121.300 0.297 0.000 2.333 382 W HA -0.180 4.484 4.660 0.006 0.000 0.316 382 W C 2.047 178.699 176.519 0.222 0.000 1.215 382 W CA 0.906 58.435 57.345 0.307 0.000 1.278 382 W CB -0.250 29.343 29.460 0.222 0.000 1.154 382 W HN 0.089 nan 8.180 nan 0.000 0.486 383 R N 0.420 120.902 120.500 -0.029 0.000 2.096 383 R HA -0.206 4.139 4.340 0.009 0.000 0.240 383 R C 2.333 178.524 176.300 -0.182 0.000 1.139 383 R CA 2.110 58.093 56.100 -0.194 0.000 0.952 383 R CB -0.613 29.680 30.300 -0.012 0.000 0.854 383 R HN 0.212 nan 8.270 nan 0.000 0.436 384 K N 0.020 120.381 120.400 -0.065 0.000 2.063 384 K HA -0.114 4.211 4.320 0.009 0.000 0.208 384 K C 2.131 178.645 176.600 -0.143 0.000 1.048 384 K CA 1.472 57.707 56.287 -0.088 0.000 0.928 384 K CB -0.113 32.358 32.500 -0.049 0.000 0.713 384 K HN 0.174 nan 8.250 nan 0.000 0.442 385 A N 1.318 124.077 122.820 -0.102 0.000 1.930 385 A HA -0.122 4.204 4.320 0.009 0.000 0.215 385 A C 2.065 179.543 177.584 -0.178 0.000 1.176 385 A CA 1.005 52.992 52.037 -0.083 0.000 0.632 385 A CB -0.351 18.719 19.000 0.118 0.000 0.819 385 A HN 0.213 nan 8.150 nan 0.000 0.445 386 R N 0.596 120.816 120.500 -0.467 0.000 2.081 386 R HA -0.205 4.140 4.340 0.009 0.000 0.235 386 R C 2.429 178.543 176.300 -0.310 0.000 1.131 386 R CA 1.807 57.520 56.100 -0.645 0.000 0.960 386 R CB -0.343 29.219 30.300 -1.231 0.000 0.856 386 R HN 0.673 nan 8.270 nan 0.000 0.436 387 R N -0.143 120.204 120.500 -0.255 0.000 2.105 387 R HA -0.048 4.297 4.340 0.009 0.000 0.239 387 R C 2.080 178.300 176.300 -0.134 0.000 1.135 387 R CA 1.470 57.474 56.100 -0.159 0.000 0.967 387 R CB -0.585 29.643 30.300 -0.120 0.000 0.861 387 R HN 0.205 nan 8.270 nan 0.000 0.442 388 A N 1.562 124.284 122.820 -0.164 0.000 1.929 388 A HA 0.030 4.356 4.320 0.009 0.000 0.216 388 A C 2.223 179.741 177.584 -0.109 0.000 1.176 388 A CA 0.929 52.860 52.037 -0.176 0.000 0.628 388 A CB -0.340 18.506 19.000 -0.256 0.000 0.816 388 A HN 0.290 nan 8.150 nan 0.000 0.444 389 I N -0.107 120.422 120.570 -0.068 0.000 2.286 389 I HA -0.245 3.931 4.170 0.009 0.000 0.248 389 I C 2.176 178.311 176.117 0.031 0.000 1.115 389 I CA 0.894 62.201 61.300 0.012 0.000 1.392 389 I CB -0.210 37.837 38.000 0.078 0.000 1.065 389 I HN 0.292 nan 8.210 nan 0.000 0.418 390 L N 0.137 121.372 121.223 0.020 0.000 2.187 390 L HA -0.197 4.148 4.340 0.009 0.000 0.213 390 L C 2.496 179.414 176.870 0.081 0.000 1.100 390 L CA 1.062 55.964 54.840 0.103 0.000 0.765 390 L CB -0.488 41.614 42.059 0.071 0.000 0.904 390 L HN 0.266 nan 8.230 nan 0.000 0.437 391 R N -1.381 119.129 120.500 0.015 0.000 2.189 391 R HA 0.176 4.522 4.340 0.009 0.000 0.203 391 R C 0.675 176.997 176.300 0.037 0.000 1.012 391 R CA 0.294 56.399 56.100 0.008 0.000 1.015 391 R CB 0.130 30.426 30.300 -0.006 0.000 0.938 391 R HN 0.064 nan 8.270 nan 0.000 0.472 392 S N 1.307 117.027 115.700 0.033 0.000 2.511 392 S HA 0.371 4.846 4.470 0.009 0.000 0.233 392 S C -2.834 171.806 174.600 0.067 0.000 1.104 392 S CA -1.295 56.940 58.200 0.057 0.000 1.129 392 S CB 1.232 64.462 63.200 0.050 0.000 1.159 392 S HN -0.184 nan 8.310 nan 0.000 0.451 393 P HA 0.177 nan 4.420 nan 0.000 0.265 393 P C -0.358 177.044 177.300 0.169 0.000 1.193 393 P CA -0.006 63.154 63.100 0.100 0.000 0.765 393 P CB 0.135 31.867 31.700 0.053 0.000 0.823 394 I N -0.843 119.874 120.570 0.244 0.000 2.498 394 I HA 0.371 4.547 4.170 0.009 0.000 0.301 394 I C 0.826 177.216 176.117 0.455 0.000 0.984 394 I CA -0.386 61.115 61.300 0.335 0.000 1.204 394 I CB 1.897 40.121 38.000 0.374 0.000 1.362 394 I HN 0.080 nan 8.210 nan 0.000 0.471 395 S N 3.505 119.460 115.700 0.426 0.000 2.387 395 S HA 0.086 4.562 4.470 0.009 0.000 0.226 395 S C 0.644 175.507 174.600 0.438 0.000 1.026 395 S CA 0.755 59.191 58.200 0.392 0.000 0.972 395 S CB -0.220 63.184 63.200 0.340 0.000 0.814 395 S HN 0.684 nan 8.310 nan 0.000 0.477 396 R N -0.387 120.383 120.500 0.451 0.000 2.799 396 R HA 0.671 5.017 4.340 0.009 0.000 0.270 396 R C -0.774 175.451 176.300 -0.125 0.000 1.010 396 R CA -0.641 55.560 56.100 0.169 0.000 0.916 396 R CB 1.627 32.001 30.300 0.122 0.000 1.228 396 R HN 0.235 nan 8.270 nan 0.000 0.469 397 M N -1.217 118.019 119.600 -0.607 0.000 2.745 397 M HA 0.929 5.414 4.480 0.009 0.000 0.290 397 M C -0.428 175.454 176.300 -0.697 0.000 1.262 397 M CA -0.652 54.263 55.300 -0.641 0.000 0.795 397 M CB 2.676 34.465 32.600 -1.351 0.000 1.758 397 M HN 0.673 nan 8.290 nan 0.000 0.461 398 G N -0.385 107.942 108.800 -0.788 0.000 2.315 398 G HA2 0.505 4.470 3.960 0.009 0.000 0.294 398 G HA3 0.505 4.470 3.960 0.009 0.000 0.294 398 G C -2.618 171.788 174.900 -0.822 0.000 1.300 398 G CA -0.762 43.779 45.100 -0.932 0.000 0.843 398 G HN 0.776 nan 8.290 nan 0.000 0.527 399 Y N -1.072 118.975 120.300 -0.421 0.000 2.581 399 Y HA 0.723 5.278 4.550 0.007 0.000 0.345 399 Y C 0.749 176.393 175.900 -0.427 0.000 1.036 399 Y CA -0.023 57.824 58.100 -0.423 0.000 1.042 399 Y CB 2.610 40.662 38.460 -0.680 0.000 1.289 399 Y HN 0.930 nan 8.280 nan 0.000 0.471 400 G N -0.456 108.171 108.800 -0.289 0.000 2.537 400 G HA2 0.626 4.592 3.960 0.009 0.000 0.308 400 G HA3 0.626 4.592 3.960 0.009 0.000 0.308 400 G C -0.162 174.328 174.900 -0.684 0.000 1.237 400 G CA -0.289 44.687 45.100 -0.208 0.000 0.968 400 G HN 1.227 nan 8.290 nan 0.000 0.481 401 G N -0.891 107.563 108.800 -0.577 0.000 2.418 401 G HA2 -0.014 3.952 3.960 0.009 0.000 0.206 401 G HA3 -0.014 3.952 3.960 0.009 0.000 0.206 401 G C -1.142 173.531 174.900 -0.379 0.000 1.202 401 G CA -0.555 44.042 45.100 -0.838 0.000 1.061 401 G HN 0.891 nan 8.290 nan 0.000 0.563 402 Y N 0.902 121.194 120.300 -0.013 0.000 2.454 402 Y HA 0.520 5.075 4.550 0.008 0.000 0.345 402 Y C 1.520 177.434 175.900 0.024 0.000 0.970 402 Y CA -0.299 57.798 58.100 -0.006 0.000 1.204 402 Y CB 1.327 39.737 38.460 -0.084 0.000 1.122 402 Y HN 0.569 nan 8.280 nan 0.000 0.514 403 L N 2.212 123.585 121.223 0.249 0.000 2.129 403 L HA -0.241 4.105 4.340 0.009 0.000 0.212 403 L C 2.229 179.169 176.870 0.117 0.000 1.087 403 L CA 2.248 57.256 54.840 0.279 0.000 0.757 403 L CB -0.574 41.718 42.059 0.388 0.000 0.896 403 L HN 0.712 nan 8.230 nan 0.000 0.434 404 S N -1.973 113.627 115.700 -0.168 0.000 2.423 404 S HA -0.127 4.348 4.470 0.009 0.000 0.231 404 S C 1.918 176.440 174.600 -0.130 0.000 1.014 404 S CA 0.780 58.748 58.200 -0.387 0.000 0.965 404 S CB -0.573 62.071 63.200 -0.928 0.000 0.785 404 S HN 0.294 nan 8.310 nan 0.000 0.495 405 L N 2.142 123.273 121.223 -0.153 0.000 2.005 405 L HA 0.221 4.567 4.340 0.009 0.000 0.207 405 L C 3.045 179.755 176.870 -0.267 0.000 1.072 405 L CA 1.703 56.442 54.840 -0.168 0.000 0.744 405 L CB -1.913 40.001 42.059 -0.242 0.000 0.895 405 L HN 0.437 nan 8.230 nan 0.000 0.433 406 A N -0.593 121.802 122.820 -0.709 0.000 1.972 406 A HA -0.143 4.182 4.320 0.009 0.000 0.219 406 A C 2.423 180.030 177.584 0.039 0.000 1.169 406 A CA 1.661 53.252 52.037 -0.743 0.000 0.635 406 A CB -0.706 17.538 19.000 -1.260 0.000 0.810 406 A HN 0.409 nan 8.150 nan 0.000 0.446 407 A N -0.083 122.778 122.820 0.068 0.000 2.019 407 A HA -0.134 4.192 4.320 0.009 0.000 0.219 407 A C 1.916 179.594 177.584 0.156 0.000 1.164 407 A CA 1.609 53.731 52.037 0.141 0.000 0.644 407 A CB -0.380 18.747 19.000 0.212 0.000 0.805 407 A HN 0.570 nan 8.150 nan 0.000 0.449 408 K N -1.537 118.978 120.400 0.190 0.000 2.525 408 K HA 0.103 4.429 4.320 0.009 0.000 0.192 408 K C -0.881 175.653 176.600 -0.108 0.000 1.029 408 K CA 0.265 56.577 56.287 0.042 0.000 1.029 408 K CB -0.022 32.469 32.500 -0.015 0.000 0.814 408 K HN 0.494 nan 8.250 nan 0.000 0.503 409 F N 1.288 121.316 119.950 0.130 0.000 2.453 409 F HA 0.207 4.738 4.527 0.007 0.000 0.358 409 F C -1.707 174.211 175.800 0.196 0.000 1.129 409 F CA -2.357 55.745 58.000 0.170 0.000 1.200 409 F CB 1.453 40.599 39.000 0.244 0.000 1.431 409 F HN -0.128 nan 8.300 nan 0.000 0.503 410 P HA -0.233 nan 4.420 nan 0.000 0.216 410 P C 1.642 179.048 177.300 0.176 0.000 1.150 410 P CA 1.436 64.628 63.100 0.154 0.000 0.837 410 P CB 0.391 32.132 31.700 0.068 0.000 0.786 411 K N -0.984 119.530 120.400 0.190 0.000 2.057 411 K HA -0.162 4.164 4.320 0.009 0.000 0.207 411 K C 2.114 178.834 176.600 0.199 0.000 1.049 411 K CA 1.118 57.503 56.287 0.164 0.000 0.931 411 K CB -0.629 31.961 32.500 0.151 0.000 0.714 411 K HN -0.068 nan 8.250 nan 0.000 0.440 412 F N 0.899 120.948 119.950 0.165 0.000 2.102 412 F HA -0.192 4.339 4.527 0.007 0.000 0.298 412 F C 1.768 177.664 175.800 0.161 0.000 1.105 412 F CA 1.214 59.300 58.000 0.144 0.000 1.239 412 F CB -0.355 38.755 39.000 0.184 0.000 0.991 412 F HN -0.203 nan 8.300 nan 0.000 0.474 413 V N 0.696 120.770 119.914 0.267 0.000 2.332 413 V HA -0.331 3.794 4.120 0.009 0.000 0.248 413 V C 2.030 178.264 176.094 0.233 0.000 1.055 413 V CA 2.336 64.840 62.300 0.340 0.000 1.038 413 V CB -0.717 31.297 31.823 0.318 0.000 0.651 413 V HN 0.331 nan 8.190 nan 0.000 0.450 414 D N -0.558 119.913 120.400 0.119 0.000 2.183 414 D HA -0.103 4.542 4.640 0.009 0.000 0.203 414 D C 2.248 178.544 176.300 -0.007 0.000 0.969 414 D CA 1.556 55.599 54.000 0.073 0.000 0.842 414 D CB -0.309 40.524 40.800 0.056 0.000 0.957 414 D HN 0.407 nan 8.370 nan 0.000 0.484 415 T N 0.638 115.137 114.554 -0.093 0.000 2.777 415 T HA -0.076 4.280 4.350 0.009 0.000 0.266 415 T C 2.285 176.832 174.700 -0.254 0.000 1.040 415 T CA 0.590 62.604 62.100 -0.143 0.000 1.141 415 T CB -0.238 68.544 68.868 -0.142 0.000 0.868 415 T HN -0.022 nan 8.240 nan 0.000 0.444 416 V N 1.720 121.314 119.914 -0.533 0.000 2.407 416 V HA -0.195 3.930 4.120 0.009 0.000 0.248 416 V C 2.776 178.511 176.094 -0.598 0.000 1.055 416 V CA 1.961 63.800 62.300 -0.770 0.000 1.049 416 V CB -1.189 29.730 31.823 -1.507 0.000 0.662 416 V HN 0.536 nan 8.190 nan 0.000 0.455 417 T N -0.951 113.429 114.554 -0.291 0.000 2.720 417 T HA -0.290 4.065 4.350 0.009 0.000 0.268 417 T C 1.835 176.472 174.700 -0.105 0.000 1.037 417 T CA 2.244 64.302 62.100 -0.071 0.000 1.144 417 T CB -0.389 68.551 68.868 0.119 0.000 0.864 417 T HN 0.774 nan 8.240 nan 0.000 0.444 418 H N 0.810 119.784 119.070 -0.160 0.000 2.321 418 H HA 0.052 4.614 4.556 0.010 0.000 0.300 418 H C 2.047 177.241 175.328 -0.223 0.000 1.087 418 H CA 1.473 57.443 56.048 -0.130 0.000 1.319 418 H CB -0.438 29.276 29.762 -0.080 0.000 1.379 418 H HN 0.332 nan 8.280 nan 0.000 0.501 419 I N 0.400 120.764 120.570 -0.344 0.000 2.179 419 I HA -0.243 3.932 4.170 0.009 0.000 0.242 419 I C 2.771 178.492 176.117 -0.660 0.000 1.088 419 I CA 1.025 61.903 61.300 -0.704 0.000 1.357 419 I CB -0.535 37.074 38.000 -0.652 0.000 1.051 419 I HN 0.472 nan 8.210 nan 0.000 0.409 420 A N 0.973 123.542 122.820 -0.419 0.000 1.902 420 A HA -0.218 4.108 4.320 0.009 0.000 0.217 420 A C 2.077 179.555 177.584 -0.177 0.000 1.181 420 A CA 1.962 53.842 52.037 -0.261 0.000 0.623 420 A CB -0.671 18.101 19.000 -0.380 0.000 0.818 420 A HN 0.400 nan 8.150 nan 0.000 0.443 421 N N -0.411 118.163 118.700 -0.210 0.000 2.166 421 N HA -0.150 4.595 4.740 0.009 0.000 0.186 421 N C 1.729 177.164 175.510 -0.126 0.000 1.019 421 N CA 1.563 54.528 53.050 -0.141 0.000 0.856 421 N CB -0.344 38.064 38.487 -0.131 0.000 0.993 421 N HN 0.775 nan 8.380 nan 0.000 0.426 422 E N -0.446 119.615 120.200 -0.232 0.000 2.107 422 E HA -0.105 4.250 4.350 0.009 0.000 0.191 422 E C 1.769 178.401 176.600 0.053 0.000 0.982 422 E CA 0.307 56.648 56.400 -0.098 0.000 0.809 422 E CB -0.120 29.491 29.700 -0.149 0.000 0.756 422 E HN 0.268 nan 8.360 nan 0.000 0.459 423 F N 1.584 121.388 119.950 -0.243 0.000 2.095 423 F HA -0.199 4.333 4.527 0.008 0.000 0.298 423 F C 2.320 178.151 175.800 0.053 0.000 1.104 423 F CA 1.744 59.697 58.000 -0.078 0.000 1.232 423 F CB 0.031 38.850 39.000 -0.301 0.000 0.987 423 F HN -0.111 nan 8.300 nan 0.000 0.475 424 R N -0.162 120.465 120.500 0.212 0.000 2.075 424 R HA -0.177 4.168 4.340 0.009 0.000 0.232 424 R C 1.935 178.251 176.300 0.026 0.000 1.126 424 R CA 1.702 57.876 56.100 0.124 0.000 0.963 424 R CB -0.724 29.627 30.300 0.085 0.000 0.858 424 R HN 0.340 nan 8.270 nan 0.000 0.435 425 D N 0.602 121.000 120.400 -0.004 0.000 2.117 425 D HA -0.126 4.519 4.640 0.009 0.000 0.197 425 D C 1.731 177.961 176.300 -0.116 0.000 0.987 425 D CA 1.085 55.046 54.000 -0.066 0.000 0.829 425 D CB 0.033 40.806 40.800 -0.045 0.000 0.961 425 D HN 0.104 nan 8.370 nan 0.000 0.460 426 I N -0.593 119.985 120.570 0.014 0.000 2.208 426 I HA -0.269 3.906 4.170 0.009 0.000 0.245 426 I C 2.154 178.186 176.117 -0.142 0.000 1.097 426 I CA 1.282 62.607 61.300 0.041 0.000 1.363 426 I CB -0.313 37.793 38.000 0.176 0.000 1.051 426 I HN 0.188 nan 8.210 nan 0.000 0.413 427 H N 0.751 119.700 119.070 -0.202 0.000 2.357 427 H HA -0.167 4.394 4.556 0.009 0.000 0.301 427 H C 1.701 176.920 175.328 -0.182 0.000 1.082 427 H CA 1.852 57.786 56.048 -0.190 0.000 1.342 427 H CB 0.142 29.806 29.762 -0.164 0.000 1.389 427 H HN 0.250 nan 8.280 nan 0.000 0.511 428 D N -0.450 119.924 120.400 -0.044 0.000 2.269 428 D HA -0.059 4.586 4.640 0.009 0.000 0.208 428 D C 2.023 178.175 176.300 -0.248 0.000 0.963 428 D CA 0.698 54.635 54.000 -0.104 0.000 0.864 428 D CB -0.022 40.719 40.800 -0.098 0.000 0.936 428 D HN 0.366 nan 8.370 nan 0.000 0.505 429 R N -0.129 120.123 120.500 -0.413 0.000 2.112 429 R HA 0.007 4.352 4.340 0.009 0.000 0.216 429 R C 2.134 178.096 176.300 -0.563 0.000 1.080 429 R CA 1.354 57.087 56.100 -0.611 0.000 0.996 429 R CB 0.069 29.661 30.300 -1.181 0.000 0.902 429 R HN 0.208 nan 8.270 nan 0.000 0.449 430 T N -3.564 110.652 114.554 -0.563 0.000 3.065 430 T HA 0.148 4.503 4.350 0.009 0.000 0.252 430 T C 1.386 175.879 174.700 -0.345 0.000 1.099 430 T CA 0.446 62.184 62.100 -0.604 0.000 1.063 430 T CB 0.670 69.101 68.868 -0.729 0.000 0.948 430 T HN 0.313 nan 8.240 nan 0.000 0.506 431 G N 1.264 109.883 108.800 -0.301 0.000 2.225 431 G HA2 0.060 4.026 3.960 0.009 0.000 0.267 431 G HA3 0.060 4.026 3.960 0.009 0.000 0.267 431 G C 1.119 175.865 174.900 -0.257 0.000 1.024 431 G CA 0.460 45.440 45.100 -0.200 0.000 0.784 431 G HN 1.792 nan 8.290 nan 0.000 0.507 432 G N -2.985 105.496 108.800 -0.531 0.000 2.148 432 G HA2 -0.036 3.929 3.960 0.009 0.000 0.254 432 G HA3 -0.036 3.929 3.960 0.009 0.000 0.254 432 G C 0.445 175.251 174.900 -0.157 0.000 0.981 432 G CA 0.626 45.406 45.100 -0.533 0.000 0.670 432 G HN 1.620 nan 8.290 nan 0.000 0.528 433 V N 0.967 120.831 119.914 -0.084 0.000 2.607 433 V HA 0.702 4.827 4.120 0.009 0.000 0.289 433 V C 1.155 177.347 176.094 0.163 0.000 1.053 433 V CA -0.231 62.098 62.300 0.048 0.000 0.996 433 V CB 1.473 33.341 31.823 0.075 0.000 0.995 433 V HN 1.082 nan 8.190 nan 0.000 0.476 434 A N 3.899 126.799 122.820 0.133 0.000 2.483 434 A HA 0.616 4.941 4.320 0.009 0.000 0.238 434 A C 0.737 178.364 177.584 0.071 0.000 1.070 434 A CA 0.309 52.422 52.037 0.127 0.000 0.770 434 A CB 0.067 19.107 19.000 0.066 0.000 1.008 434 A HN 1.402 nan 8.150 nan 0.000 0.497 435 A N 1.240 123.999 122.820 -0.103 0.000 2.466 435 A HA 0.357 4.682 4.320 0.009 0.000 0.238 435 A C 0.645 178.023 177.584 -0.343 0.000 1.074 435 A CA 0.082 51.755 52.037 -0.608 0.000 0.774 435 A CB -0.042 18.575 19.000 -0.639 0.000 1.015 435 A HN 0.921 nan 8.150 nan 0.000 0.498 436 E N 0.939 120.889 120.200 -0.417 0.000 2.415 436 E HA 0.283 4.639 4.350 0.009 0.000 0.263 436 E C 0.375 176.905 176.600 -0.117 0.000 0.995 436 E CA 0.166 56.430 56.400 -0.228 0.000 0.915 436 E CB 0.414 29.953 29.700 -0.269 0.000 0.951 436 E HN 0.692 nan 8.360 nan 0.000 0.449 437 G N 3.665 112.439 108.800 -0.043 0.000 2.343 437 G HA2 0.100 4.065 3.960 0.009 0.000 0.319 437 G HA3 0.100 4.065 3.960 0.009 0.000 0.319 437 G C 0.280 175.206 174.900 0.042 0.000 1.126 437 G CA -0.488 44.614 45.100 0.005 0.000 0.889 437 G HN 0.622 nan 8.290 nan 0.000 0.457 438 E N 1.259 121.510 120.200 0.085 0.000 2.385 438 E HA 0.127 4.482 4.350 0.009 0.000 0.194 438 E C 0.606 177.213 176.600 0.011 0.000 1.013 438 E CA 0.456 56.938 56.400 0.137 0.000 0.866 438 E CB 0.435 30.342 29.700 0.345 0.000 0.832 438 E HN 0.394 nan 8.360 nan 0.000 0.500 439 L N 0.696 121.879 121.223 -0.068 0.000 2.465 439 L HA 0.354 4.700 4.340 0.009 0.000 0.257 439 L C -0.792 176.036 176.870 -0.069 0.000 0.988 439 L CA -0.948 53.813 54.840 -0.132 0.000 0.827 439 L CB 1.986 43.859 42.059 -0.311 0.000 1.397 439 L HN -0.265 nan 8.230 nan 0.000 0.410 440 N N 1.419 120.091 118.700 -0.047 0.000 2.457 440 N HA 0.465 5.211 4.740 0.009 0.000 0.250 440 N C -1.050 174.431 175.510 -0.048 0.000 0.982 440 N CA -0.224 52.805 53.050 -0.035 0.000 0.941 440 N CB 2.177 40.659 38.487 -0.008 0.000 1.120 440 N HN 0.152 nan 8.380 nan 0.000 0.505 441 V N 1.096 120.956 119.914 -0.090 0.000 2.495 441 V HA 0.743 4.868 4.120 0.009 0.000 0.298 441 V C -0.109 175.856 176.094 -0.214 0.000 1.031 441 V CA -0.953 61.272 62.300 -0.125 0.000 0.871 441 V CB 1.541 33.282 31.823 -0.136 0.000 0.988 441 V HN 0.699 nan 8.190 nan 0.000 0.432 442 A N 5.565 128.251 122.820 -0.224 0.000 2.318 442 A HA 0.816 5.141 4.320 0.009 0.000 0.317 442 A C -0.828 176.536 177.584 -0.368 0.000 1.159 442 A CA -0.519 51.324 52.037 -0.322 0.000 0.799 442 A CB 0.594 19.436 19.000 -0.262 0.000 1.194 442 A HN 0.615 nan 8.150 nan 0.000 0.479 443 I N 2.579 122.817 120.570 -0.555 0.000 2.396 443 I HA 0.224 4.400 4.170 0.009 0.000 0.289 443 I C -0.095 175.828 176.117 -0.322 0.000 1.056 443 I CA -0.389 60.640 61.300 -0.451 0.000 1.365 443 I CB 0.902 38.552 38.000 -0.584 0.000 1.407 443 I HN 0.545 nan 8.210 nan 0.000 0.509 444 L N 8.955 130.028 121.223 -0.249 0.000 2.296 444 L HA 0.602 4.948 4.340 0.009 0.000 0.286 444 L C -0.472 176.175 176.870 -0.372 0.000 1.023 444 L CA 0.120 54.763 54.840 -0.328 0.000 0.812 444 L CB 0.520 42.430 42.059 -0.248 0.000 1.223 444 L HN 0.857 nan 8.230 nan 0.000 0.421 445 N N 0.826 119.169 118.700 -0.595 0.000 3.308 445 N HA 0.287 5.033 4.740 0.009 0.000 0.276 445 N C -0.108 175.037 175.510 -0.607 0.000 1.533 445 N CA -0.239 52.534 53.050 -0.461 0.000 0.878 445 N CB 0.458 38.922 38.487 -0.038 0.000 1.566 445 N HN 0.175 nan 8.380 nan 0.000 0.546 446 S N -1.275 114.278 115.700 -0.246 0.000 2.423 446 S HA -0.024 4.451 4.470 0.009 0.000 0.231 446 S C 0.707 175.053 174.600 -0.424 0.000 1.014 446 S CA 1.040 59.068 58.200 -0.287 0.000 0.965 446 S CB -0.504 62.389 63.200 -0.512 0.000 0.785 446 S HN 0.583 nan 8.310 nan 0.000 0.495 447 W N 1.345 122.519 121.300 -0.211 0.000 2.525 447 W HA 0.344 5.009 4.660 0.009 0.000 0.288 447 W C 1.829 178.242 176.519 -0.177 0.000 1.200 447 W CA 0.543 57.771 57.345 -0.195 0.000 1.349 447 W CB -0.701 28.620 29.460 -0.231 0.000 1.102 447 W HN 0.474 nan 8.180 nan 0.000 0.558 448 G N 0.897 109.716 108.800 0.031 0.000 2.528 448 G HA2 -0.458 3.508 3.960 0.009 0.000 0.262 448 G HA3 -0.458 3.508 3.960 0.009 0.000 0.262 448 G C 0.885 175.773 174.900 -0.019 0.000 1.200 448 G CA 0.714 45.799 45.100 -0.025 0.000 0.951 448 G HN 0.201 nan 8.290 nan 0.000 0.566 449 K N 0.566 120.955 120.400 -0.017 0.000 2.147 449 K HA -0.065 4.261 4.320 0.009 0.000 0.205 449 K C 2.847 179.384 176.600 -0.104 0.000 1.049 449 K CA 2.200 58.458 56.287 -0.049 0.000 0.936 449 K CB -0.335 32.180 32.500 0.026 0.000 0.722 449 K HN 0.663 nan 8.250 nan 0.000 0.446 450 M N -0.739 118.850 119.600 -0.019 0.000 2.267 450 M HA -0.083 4.402 4.480 0.009 0.000 0.263 450 M C 0.612 176.832 176.300 -0.134 0.000 1.063 450 M CA 1.449 56.751 55.300 0.003 0.000 1.090 450 M CB 0.072 32.700 32.600 0.046 0.000 1.392 450 M HN -0.125 nan 8.290 nan 0.000 0.422 451 R N 1.641 121.976 120.500 -0.276 0.000 2.865 451 R HA 0.383 4.728 4.340 0.009 0.000 0.370 451 R C -0.599 175.268 176.300 -0.721 0.000 1.168 451 R CA -0.108 55.716 56.100 -0.459 0.000 1.058 451 R CB 0.190 30.140 30.300 -0.584 0.000 1.419 451 R HN 0.304 nan 8.270 nan 0.000 0.580 452 S N 0.536 115.622 115.700 -1.025 0.000 2.575 452 S HA -0.076 4.400 4.470 0.009 0.000 0.295 452 S C 0.214 174.019 174.600 -1.325 0.000 1.267 452 S CA 0.089 57.245 58.200 -1.740 0.000 1.074 452 S CB 0.009 62.283 63.200 -1.543 0.000 0.829 452 S HN 0.626 nan 8.310 nan 0.000 0.497 453 W N 0.436 120.763 121.300 -1.623 0.000 2.589 453 W HA -0.286 4.379 4.660 0.009 0.000 0.272 453 W C 0.869 177.201 176.519 -0.310 0.000 1.060 453 W CA 0.202 57.181 57.345 -0.610 0.000 0.533 453 W CB -1.933 27.354 29.460 -0.288 0.000 2.084 453 W HN 0.618 nan 8.180 nan 0.000 1.371 454 M N -0.553 118.891 119.600 -0.260 0.000 2.306 454 M HA 0.331 4.816 4.480 0.009 0.000 0.292 454 M C 1.395 177.607 176.300 -0.148 0.000 1.018 454 M CA 0.420 55.740 55.300 0.034 0.000 1.007 454 M CB 0.323 32.940 32.600 0.028 0.000 1.510 454 M HN 0.087 nan 8.290 nan 0.000 0.537 455 A N 0.251 122.812 122.820 -0.432 0.000 2.498 455 A HA 0.304 4.630 4.320 0.009 0.000 0.239 455 A C 0.076 177.089 177.584 -0.952 0.000 1.068 455 A CA 0.190 51.612 52.037 -1.025 0.000 0.766 455 A CB -0.437 17.775 19.000 -1.314 0.000 1.003 455 A HN 0.606 nan 8.150 nan 0.000 0.497 456 F N -0.727 118.490 119.950 -1.222 0.000 2.748 456 F HA -0.199 4.334 4.527 0.010 0.000 0.370 456 F C 0.931 176.955 175.800 0.374 0.000 0.620 456 F CA 1.054 58.756 58.000 -0.496 0.000 1.233 456 F CB -2.629 36.280 39.000 -0.153 0.000 1.708 456 F HN 0.521 nan 8.300 nan 0.000 0.298 457 T N 0.687 115.536 114.554 0.493 0.000 2.869 457 T HA 0.555 4.910 4.350 0.009 0.000 0.295 457 T C 1.151 176.268 174.700 0.695 0.000 0.987 457 T CA 0.020 62.437 62.100 0.527 0.000 1.109 457 T CB 2.339 71.502 68.868 0.492 0.000 0.932 457 T HN -0.000 nan 8.240 nan 0.000 0.518 458 V N 1.775 121.933 119.914 0.406 0.000 3.204 458 V HA 0.465 4.590 4.120 0.009 0.000 0.218 458 V C 1.030 177.203 176.094 0.133 0.000 1.159 458 V CA 0.094 62.581 62.300 0.313 0.000 1.282 458 V CB -0.443 31.474 31.823 0.157 0.000 1.225 458 V HN 0.917 nan 8.190 nan 0.000 0.509 459 A N -0.161 122.659 122.820 0.001 0.000 2.310 459 A HA 0.408 4.734 4.320 0.009 0.000 0.299 459 A C 0.014 177.431 177.584 -0.278 0.000 1.147 459 A CA -0.250 51.715 52.037 -0.119 0.000 0.818 459 A CB -0.157 18.784 19.000 -0.097 0.000 1.096 459 A HN 0.570 nan 8.150 nan 0.000 0.495 460 H N 2.025 120.698 119.070 -0.662 0.000 3.125 460 H HA 0.140 4.701 4.556 0.009 0.000 0.310 460 H C 1.230 176.224 175.328 -0.556 0.000 0.980 460 H CA 1.535 57.017 56.048 -0.944 0.000 1.422 460 H CB 0.333 29.130 29.762 -1.608 0.000 1.432 460 H HN 1.411 nan 8.280 nan 0.000 0.577 461 A N 4.544 126.873 122.820 -0.819 0.000 2.847 461 A HA -0.208 4.118 4.320 0.009 0.000 0.263 461 A C 0.318 177.697 177.584 -0.342 0.000 1.391 461 A CA 1.183 52.905 52.037 -0.525 0.000 0.866 461 A CB -1.961 16.784 19.000 -0.426 0.000 1.057 461 A HN 0.658 nan 8.150 nan 0.000 0.673 462 L N 0.670 121.685 121.223 -0.348 0.000 2.679 462 L HA 0.310 4.655 4.340 0.009 0.000 0.238 462 L C -1.944 174.771 176.870 -0.258 0.000 1.330 462 L CA -1.718 52.976 54.840 -0.243 0.000 0.935 462 L CB 0.863 42.822 42.059 -0.167 0.000 1.243 462 L HN 0.228 nan 8.230 nan 0.000 0.484 463 P HA 0.131 nan 4.420 nan 0.000 0.269 463 P C -0.987 176.258 177.300 -0.092 0.000 1.215 463 P CA -0.016 62.920 63.100 -0.273 0.000 0.780 463 P CB 0.996 32.510 31.700 -0.310 0.000 0.898 464 N N -0.359 118.343 118.700 0.003 0.000 3.102 464 N HA 0.187 4.932 4.740 0.009 0.000 0.299 464 N C 0.791 176.359 175.510 0.096 0.000 1.482 464 N CA -0.985 52.061 53.050 -0.007 0.000 0.785 464 N CB 0.532 39.001 38.487 -0.029 0.000 1.680 464 N HN 0.252 nan 8.380 nan 0.000 0.594 465 K N -0.683 119.739 120.400 0.037 0.000 2.059 465 K HA -0.264 4.062 4.320 0.009 0.000 0.212 465 K C 1.076 177.843 176.600 0.278 0.000 1.050 465 K CA 2.098 58.469 56.287 0.140 0.000 0.927 465 K CB -0.119 32.414 32.500 0.055 0.000 0.714 465 K HN 0.526 nan 8.250 nan 0.000 0.447 466 Q N -0.753 119.133 119.800 0.144 0.000 2.297 466 Q HA -0.058 4.288 4.340 0.009 0.000 0.204 466 Q C 1.723 177.834 176.000 0.185 0.000 0.962 466 Q CA 1.721 57.590 55.803 0.109 0.000 0.879 466 Q CB 0.336 29.057 28.738 -0.029 0.000 0.947 466 Q HN 0.634 nan 8.270 nan 0.000 0.462 467 T N -3.916 110.786 114.554 0.248 0.000 2.959 467 T HA 0.006 4.362 4.350 0.009 0.000 0.254 467 T C 1.606 176.494 174.700 0.312 0.000 1.003 467 T CA 0.035 62.379 62.100 0.406 0.000 0.950 467 T CB -0.463 68.678 68.868 0.455 0.000 1.090 467 T HN 0.383 nan 8.240 nan 0.000 0.503 468 Y N 2.106 122.465 120.300 0.098 0.000 2.333 468 Y HA 0.171 4.731 4.550 0.016 0.000 0.290 468 Y C 2.139 178.043 175.900 0.007 0.000 1.144 468 Y CA 0.798 58.948 58.100 0.084 0.000 1.228 468 Y CB -0.688 37.800 38.460 0.045 0.000 0.985 468 Y HN 0.161 nan 8.280 nan 0.000 0.542 469 S N -0.218 114.965 115.700 -0.862 0.000 2.474 469 S HA -0.084 4.391 4.470 0.009 0.000 0.235 469 S C 0.879 175.010 174.600 -0.781 0.000 0.997 469 S CA 1.236 58.888 58.200 -0.913 0.000 0.949 469 S CB -0.423 62.167 63.200 -1.017 0.000 0.766 469 S HN 0.630 nan 8.310 nan 0.000 0.517 470 Y N -1.697 118.391 120.300 -0.354 0.000 2.559 470 Y HA 0.271 4.827 4.550 0.011 0.000 0.279 470 Y C 1.961 177.491 175.900 -0.615 0.000 1.117 470 Y CA -0.700 56.964 58.100 -0.726 0.000 1.263 470 Y CB -0.797 36.813 38.460 -1.417 0.000 1.230 470 Y HN 0.192 nan 8.280 nan 0.000 0.528 471 Y N 1.126 121.313 120.300 -0.189 0.000 2.207 471 Y HA -0.159 4.396 4.550 0.007 0.000 0.287 471 Y C 2.421 178.360 175.900 0.066 0.000 1.156 471 Y CA 1.537 59.683 58.100 0.076 0.000 1.182 471 Y CB -0.656 37.898 38.460 0.157 0.000 0.979 471 Y HN 0.120 nan 8.280 nan 0.000 0.521 472 G N 0.236 109.094 108.800 0.097 0.000 2.462 472 G HA2 -0.268 3.697 3.960 0.009 0.000 0.220 472 G HA3 -0.268 3.697 3.960 0.009 0.000 0.220 472 G C 1.697 176.618 174.900 0.035 0.000 1.121 472 G CA 1.277 46.428 45.100 0.085 0.000 0.758 472 G HN 0.515 nan 8.290 nan 0.000 0.559 473 I N 0.329 120.889 120.570 -0.017 0.000 2.127 473 I HA -0.197 3.979 4.170 0.009 0.000 0.241 473 I C 2.733 178.880 176.117 0.050 0.000 1.075 473 I CA 0.938 62.246 61.300 0.013 0.000 1.334 473 I CB -0.294 37.714 38.000 0.014 0.000 1.040 473 I HN 0.122 nan 8.210 nan 0.000 0.405 474 L N 0.108 121.362 121.223 0.051 0.000 2.046 474 L HA -0.215 4.130 4.340 0.009 0.000 0.208 474 L C 2.633 179.528 176.870 0.041 0.000 1.077 474 L CA 1.446 56.368 54.840 0.137 0.000 0.747 474 L CB -0.685 41.444 42.059 0.117 0.000 0.896 474 L HN 0.264 nan 8.230 nan 0.000 0.432 475 E N 0.375 120.434 120.200 -0.234 0.000 2.077 475 E HA -0.169 4.187 4.350 0.009 0.000 0.193 475 E C 2.217 178.654 176.600 -0.272 0.000 0.989 475 E CA 1.656 57.825 56.400 -0.384 0.000 0.800 475 E CB 0.017 29.398 29.700 -0.532 0.000 0.746 475 E HN 0.262 nan 8.360 nan 0.000 0.452 476 S N -0.079 115.636 115.700 0.026 0.000 2.356 476 S HA -0.098 4.377 4.470 0.009 0.000 0.223 476 S C 1.919 176.586 174.600 0.112 0.000 1.032 476 S CA 1.175 59.492 58.200 0.195 0.000 1.005 476 S CB -0.312 63.013 63.200 0.209 0.000 0.867 476 S HN 0.259 nan 8.310 nan 0.000 0.449 477 L N 1.981 123.282 121.223 0.131 0.000 2.141 477 L HA -0.107 4.238 4.340 0.009 0.000 0.209 477 L C 2.751 179.747 176.870 0.211 0.000 1.094 477 L CA 1.228 56.184 54.840 0.194 0.000 0.763 477 L CB -0.855 41.343 42.059 0.231 0.000 0.908 477 L HN 0.435 nan 8.230 nan 0.000 0.437 478 S N -0.103 115.643 115.700 0.077 0.000 2.392 478 S HA -0.179 4.296 4.470 0.009 0.000 0.232 478 S C 1.726 176.196 174.600 -0.217 0.000 1.041 478 S CA 1.416 59.427 58.200 -0.315 0.000 1.026 478 S CB -0.787 62.121 63.200 -0.487 0.000 0.845 478 S HN 0.456 nan 8.310 nan 0.000 0.465 479 G N 0.091 108.823 108.800 -0.113 0.000 3.453 479 G HA2 0.441 4.407 3.960 0.009 0.000 0.263 479 G HA3 0.441 4.407 3.960 0.009 0.000 0.263 479 G C 0.027 174.921 174.900 -0.010 0.000 1.060 479 G CA -0.504 44.549 45.100 -0.078 0.000 0.793 479 G HN 0.496 nan 8.290 nan 0.000 0.532 480 M N 1.544 121.167 119.600 0.037 0.000 2.250 480 M HA 0.288 4.774 4.480 0.009 0.000 0.344 480 M C 1.333 177.672 176.300 0.065 0.000 1.150 480 M CA -0.730 54.612 55.300 0.071 0.000 1.147 480 M CB 0.807 33.471 32.600 0.106 0.000 1.498 480 M HN 0.193 nan 8.290 nan 0.000 0.461 481 R N 3.350 123.897 120.500 0.079 0.000 4.739 481 R HA 0.220 4.566 4.340 0.009 0.000 0.203 481 R C -0.858 175.498 176.300 0.093 0.000 2.125 481 R CA -0.247 55.894 56.100 0.069 0.000 1.743 481 R CB -1.422 28.923 30.300 0.075 0.000 1.271 481 R HN 0.476 nan 8.270 nan 0.000 0.746 482 V N -2.597 117.358 119.914 0.070 0.000 3.160 482 V HA 0.495 4.620 4.120 0.009 0.000 0.310 482 V C -1.063 175.053 176.094 0.036 0.000 1.181 482 V CA -1.459 60.863 62.300 0.037 0.000 1.047 482 V CB 2.275 34.100 31.823 0.003 0.000 1.068 482 V HN 0.178 nan 8.190 nan 0.000 0.441 483 N N 1.161 119.869 118.700 0.013 0.000 2.422 483 N HA 0.586 5.331 4.740 0.009 0.000 0.266 483 N C -0.862 174.641 175.510 -0.011 0.000 1.007 483 N CA -0.146 52.919 53.050 0.024 0.000 0.941 483 N CB 1.743 40.237 38.487 0.013 0.000 1.115 483 N HN 0.653 nan 8.380 nan 0.000 0.492 484 V N 3.203 123.128 119.914 0.017 0.000 2.417 484 V HA 0.510 4.635 4.120 0.009 0.000 0.291 484 V C 0.372 176.327 176.094 -0.232 0.000 1.024 484 V CA -0.801 61.407 62.300 -0.153 0.000 0.861 484 V CB 1.451 33.185 31.823 -0.148 0.000 0.985 484 V HN 0.669 nan 8.190 nan 0.000 0.436 485 R N 3.310 123.567 120.500 -0.405 0.000 2.888 485 R HA 0.766 5.111 4.340 0.009 0.000 0.266 485 R C -1.882 174.023 176.300 -0.658 0.000 1.020 485 R CA -0.730 55.177 56.100 -0.322 0.000 0.963 485 R CB 1.877 32.088 30.300 -0.147 0.000 1.197 485 R HN 0.376 nan 8.270 nan 0.000 0.481 486 F N 2.020 121.790 119.950 -0.299 0.000 2.493 486 F HA 0.515 5.047 4.527 0.008 0.000 0.329 486 F C 0.106 175.759 175.800 -0.244 0.000 1.126 486 F CA -0.890 56.915 58.000 -0.324 0.000 0.937 486 F CB 1.969 40.725 39.000 -0.408 0.000 1.146 486 F HN 0.463 nan 8.300 nan 0.000 0.442 487 I N -0.030 120.453 120.570 -0.146 0.000 2.689 487 I HA 0.803 4.979 4.170 0.009 0.000 0.299 487 I C -0.519 175.441 176.117 -0.261 0.000 1.059 487 I CA -0.804 60.392 61.300 -0.174 0.000 1.055 487 I CB 2.285 40.165 38.000 -0.201 0.000 1.243 487 I HN 0.502 nan 8.210 nan 0.000 0.425 488 S N 3.147 118.700 115.700 -0.245 0.000 2.651 488 S HA 0.499 4.975 4.470 0.009 0.000 0.291 488 S C 0.529 174.893 174.600 -0.392 0.000 1.141 488 S CA -0.570 57.427 58.200 -0.339 0.000 1.027 488 S CB 1.204 64.300 63.200 -0.174 0.000 1.043 488 S HN 0.595 nan 8.310 nan 0.000 0.530 489 F N 1.179 121.004 119.950 -0.208 0.000 2.161 489 F HA -0.077 4.456 4.527 0.009 0.000 0.300 489 F C 2.170 177.833 175.800 -0.230 0.000 1.089 489 F CA 1.408 59.248 58.000 -0.267 0.000 1.282 489 F CB -0.742 38.045 39.000 -0.354 0.000 1.010 489 F HN 0.546 nan 8.300 nan 0.000 0.485 490 D N 0.193 120.567 120.400 -0.045 0.000 2.144 490 D HA -0.163 4.482 4.640 0.009 0.000 0.199 490 D C 1.752 177.987 176.300 -0.108 0.000 0.984 490 D CA 1.469 55.419 54.000 -0.084 0.000 0.834 490 D CB -0.483 40.271 40.800 -0.076 0.000 0.955 490 D HN 0.279 nan 8.370 nan 0.000 0.465 491 D N 0.528 120.880 120.400 -0.081 0.000 2.104 491 D HA -0.107 4.538 4.640 0.009 0.000 0.194 491 D C 2.338 178.601 176.300 -0.063 0.000 0.994 491 D CA 0.531 54.520 54.000 -0.020 0.000 0.830 491 D CB -0.291 40.496 40.800 -0.020 0.000 0.959 491 D HN 0.097 nan 8.370 nan 0.000 0.452 492 V N 0.945 120.795 119.914 -0.107 0.000 2.379 492 V HA -0.163 3.962 4.120 0.009 0.000 0.245 492 V C 2.625 178.648 176.094 -0.118 0.000 1.044 492 V CA 0.953 63.184 62.300 -0.115 0.000 1.036 492 V CB -0.370 31.372 31.823 -0.134 0.000 0.664 492 V HN 0.161 nan 8.190 nan 0.000 0.453 493 L N 0.053 121.197 121.223 -0.131 0.000 2.093 493 L HA -0.115 4.231 4.340 0.009 0.000 0.208 493 L C 2.675 179.434 176.870 -0.186 0.000 1.085 493 L CA 1.525 56.279 54.840 -0.143 0.000 0.755 493 L CB -0.713 41.261 42.059 -0.142 0.000 0.904 493 L HN 0.351 nan 8.230 nan 0.000 0.435 494 A N -1.026 121.619 122.820 -0.292 0.000 1.897 494 A HA -0.146 4.179 4.320 0.009 0.000 0.215 494 A C 1.776 179.027 177.584 -0.556 0.000 1.181 494 A CA 1.285 53.013 52.037 -0.515 0.000 0.620 494 A CB -0.340 18.167 19.000 -0.823 0.000 0.821 494 A HN 0.501 nan 8.150 nan 0.000 0.443 495 H N -1.954 117.085 119.070 -0.053 0.000 3.233 495 H HA 0.357 4.919 4.556 0.009 0.000 0.263 495 H C 1.223 176.518 175.328 -0.055 0.000 1.168 495 H CA 0.295 56.315 56.048 -0.047 0.000 1.159 495 H CB -0.053 29.680 29.762 -0.048 0.000 1.593 495 H HN 0.671 nan 8.280 nan 0.000 0.580 496 G N 1.731 110.533 108.800 0.003 0.000 2.693 496 G HA2 -0.266 3.699 3.960 0.009 0.000 0.226 496 G HA3 -0.266 3.699 3.960 0.009 0.000 0.226 496 G C -0.391 174.457 174.900 -0.087 0.000 1.354 496 G CA -0.340 44.740 45.100 -0.034 0.000 0.873 496 G HN 0.200 nan 8.290 nan 0.000 0.562 497 I N 1.355 121.822 120.570 -0.171 0.000 2.325 497 I HA 0.207 4.383 4.170 0.009 0.000 0.291 497 I C 0.094 176.095 176.117 -0.194 0.000 1.019 497 I CA -0.591 60.511 61.300 -0.331 0.000 1.302 497 I CB 1.072 38.588 38.000 -0.806 0.000 1.401 497 I HN 0.360 nan 8.210 nan 0.000 0.485 498 D N 3.696 124.010 120.400 -0.143 0.000 2.548 498 D HA -0.069 4.577 4.640 0.009 0.000 0.231 498 D C 1.329 177.633 176.300 0.007 0.000 1.142 498 D CA 0.335 54.300 54.000 -0.057 0.000 0.866 498 D CB 0.875 41.640 40.800 -0.059 0.000 1.190 498 D HN 0.623 nan 8.370 nan 0.000 0.469 499 S N 1.005 116.736 115.700 0.052 0.000 2.481 499 S HA -0.158 4.317 4.470 0.009 0.000 0.231 499 S C 1.095 175.767 174.600 0.119 0.000 0.996 499 S CA 0.586 58.855 58.200 0.115 0.000 0.942 499 S CB 0.028 63.278 63.200 0.084 0.000 0.768 499 S HN 0.552 nan 8.310 nan 0.000 0.520 500 D N 1.249 121.694 120.400 0.075 0.000 2.347 500 D HA 0.070 4.716 4.640 0.009 0.000 0.213 500 D C 0.539 176.891 176.300 0.087 0.000 0.985 500 D CA -0.216 53.824 54.000 0.067 0.000 0.879 500 D CB -0.578 40.243 40.800 0.035 0.000 0.919 500 D HN 0.459 nan 8.370 nan 0.000 0.526 501 I N 1.941 122.578 120.570 0.112 0.000 2.598 501 I HA -0.053 4.123 4.170 0.009 0.000 0.284 501 I C 0.947 177.252 176.117 0.313 0.000 1.140 501 I CA -0.030 61.352 61.300 0.136 0.000 1.420 501 I CB 0.797 38.805 38.000 0.013 0.000 1.387 501 I HN -0.190 nan 8.210 nan 0.000 0.553 502 D N 5.132 125.650 120.400 0.196 0.000 2.259 502 D HA 0.081 4.726 4.640 0.009 0.000 0.216 502 D C 0.165 176.619 176.300 0.257 0.000 0.961 502 D CA 1.218 55.322 54.000 0.173 0.000 0.878 502 D CB 0.640 41.455 40.800 0.025 0.000 1.009 502 D HN 0.215 nan 8.370 nan 0.000 0.490 503 V N 1.544 121.595 119.914 0.229 0.000 2.760 503 V HA 0.373 4.498 4.120 0.009 0.000 0.309 503 V C -0.343 175.840 176.094 0.148 0.000 1.077 503 V CA -0.741 61.692 62.300 0.222 0.000 0.910 503 V CB 2.901 34.752 31.823 0.045 0.000 1.008 503 V HN -0.086 nan 8.190 nan 0.000 0.424 504 I N 4.825 125.511 120.570 0.194 0.000 2.377 504 I HA 0.530 4.706 4.170 0.009 0.000 0.293 504 I C -0.742 175.263 176.117 -0.186 0.000 0.987 504 I CA -0.486 60.805 61.300 -0.015 0.000 1.185 504 I CB 1.840 39.867 38.000 0.046 0.000 1.341 504 I HN 0.441 nan 8.210 nan 0.000 0.455 505 I N 6.327 126.750 120.570 -0.246 0.000 2.433 505 I HA 0.319 4.494 4.170 0.009 0.000 0.292 505 I C -0.348 175.607 176.117 -0.269 0.000 1.001 505 I CA -0.482 60.630 61.300 -0.313 0.000 1.119 505 I CB 1.647 39.521 38.000 -0.210 0.000 1.289 505 I HN 0.570 nan 8.210 nan 0.000 0.438 506 N N 4.865 123.360 118.700 -0.341 0.000 2.448 506 N HA 0.604 5.349 4.740 0.009 0.000 0.279 506 N C -1.088 174.393 175.510 -0.048 0.000 1.025 506 N CA -0.214 52.793 53.050 -0.071 0.000 0.898 506 N CB 2.302 40.886 38.487 0.162 0.000 1.303 506 N HN 0.826 nan 8.380 nan 0.000 0.495 507 G N 0.825 109.671 108.800 0.077 0.000 2.612 507 G HA2 0.791 4.756 3.960 0.009 0.000 0.298 507 G HA3 0.791 4.756 3.960 0.009 0.000 0.298 507 G C -0.584 174.342 174.900 0.043 0.000 1.336 507 G CA -0.322 44.825 45.100 0.079 0.000 0.953 507 G HN 0.781 nan 8.290 nan 0.000 0.482 508 G N 0.523 109.131 108.800 -0.320 0.000 2.361 508 G HA2 0.417 4.382 3.960 0.009 0.000 0.331 508 G HA3 0.417 4.382 3.960 0.009 0.000 0.331 508 G C -3.521 171.190 174.900 -0.315 0.000 1.324 508 G CA -0.585 44.069 45.100 -0.743 0.000 0.984 508 G HN 0.673 nan 8.290 nan 0.000 0.586 509 P HA 0.474 nan 4.420 nan 0.000 0.278 509 P C 0.511 177.929 177.300 0.197 0.000 1.258 509 P CA -0.560 62.663 63.100 0.206 0.000 0.811 509 P CB 1.279 33.173 31.700 0.323 0.000 1.063 510 V N 1.653 121.710 119.914 0.238 0.000 2.901 510 V HA -0.036 4.090 4.120 0.009 0.000 0.307 510 V C 0.208 176.407 176.094 0.176 0.000 1.084 510 V CA 1.026 63.437 62.300 0.186 0.000 1.184 510 V CB -1.032 30.984 31.823 0.321 0.000 0.941 510 V HN 0.681 nan 8.190 nan 0.000 0.493 511 D N 2.358 122.825 120.400 0.113 0.000 2.800 511 D HA -0.125 4.520 4.640 0.009 0.000 0.232 511 D C 0.155 176.517 176.300 0.103 0.000 1.137 511 D CA 1.454 55.509 54.000 0.092 0.000 0.718 511 D CB -1.356 39.510 40.800 0.110 0.000 1.084 511 D HN 1.154 nan 8.370 nan 0.000 0.432 512 T N -5.221 109.393 114.554 0.101 0.000 2.916 512 T HA 0.768 5.123 4.350 0.009 0.000 0.292 512 T C 1.443 176.084 174.700 -0.098 0.000 1.064 512 T CA -0.291 61.859 62.100 0.083 0.000 1.011 512 T CB 2.065 71.095 68.868 0.271 0.000 1.152 512 T HN -0.041 nan 8.240 nan 0.000 0.510 513 A N 0.365 122.979 122.820 -0.343 0.000 2.032 513 A HA 0.067 4.392 4.320 0.009 0.000 0.221 513 A C 1.576 178.855 177.584 -0.508 0.000 1.165 513 A CA 1.339 53.023 52.037 -0.589 0.000 0.645 513 A CB -1.133 17.333 19.000 -0.891 0.000 0.807 513 A HN 0.758 nan 8.150 nan 0.000 0.453 514 F N 0.243 120.148 119.950 -0.075 0.000 2.335 514 F HA -0.013 4.520 4.527 0.010 0.000 0.296 514 F C 2.762 178.599 175.800 0.063 0.000 1.091 514 F CA 1.440 59.365 58.000 -0.124 0.000 1.399 514 F CB -0.941 37.857 39.000 -0.336 0.000 1.067 514 F HN 0.335 nan 8.300 nan 0.000 0.520 515 T N -3.693 110.998 114.554 0.229 0.000 2.901 515 T HA 0.444 4.800 4.350 0.009 0.000 0.252 515 T C 1.926 176.917 174.700 0.484 0.000 1.035 515 T CA 1.034 63.308 62.100 0.291 0.000 1.142 515 T CB -0.113 68.838 68.868 0.138 0.000 0.869 515 T HN 0.344 nan 8.240 nan 0.000 0.442 516 G N 0.252 109.193 108.800 0.235 0.000 2.485 516 G HA2 0.350 4.315 3.960 0.009 0.000 0.181 516 G HA3 0.350 4.315 3.960 0.009 0.000 0.181 516 G C 0.966 175.761 174.900 -0.175 0.000 0.999 516 G CA 0.374 45.473 45.100 -0.002 0.000 0.721 516 G HN 1.463 nan 8.290 nan 0.000 0.486 517 G N 0.674 109.460 108.800 -0.023 0.000 2.547 517 G HA2 -0.257 3.709 3.960 0.009 0.000 0.271 517 G HA3 -0.257 3.709 3.960 0.009 0.000 0.271 517 G C 0.408 175.232 174.900 -0.127 0.000 1.209 517 G CA 0.852 45.912 45.100 -0.067 0.000 0.959 517 G HN 0.627 nan 8.290 nan 0.000 0.563 518 D N 0.070 120.364 120.400 -0.177 0.000 2.378 518 D HA 0.105 4.751 4.640 0.009 0.000 0.227 518 D C 2.363 178.467 176.300 -0.327 0.000 1.012 518 D CA 0.801 54.671 54.000 -0.218 0.000 0.905 518 D CB 0.113 40.803 40.800 -0.182 0.000 0.895 518 D HN 0.383 nan 8.370 nan 0.000 0.532 519 V N -0.527 119.119 119.914 -0.446 0.000 2.453 519 V HA -0.234 3.891 4.120 0.009 0.000 0.252 519 V C 1.367 177.056 176.094 -0.675 0.000 1.068 519 V CA 1.541 63.450 62.300 -0.651 0.000 1.070 519 V CB -0.385 30.819 31.823 -1.031 0.000 0.664 519 V HN 0.351 nan 8.190 nan 0.000 0.461 520 W N 0.007 121.030 121.300 -0.461 0.000 2.937 520 W HA -0.011 4.655 4.660 0.009 0.000 0.245 520 W C 2.400 178.693 176.519 -0.377 0.000 1.306 520 W CA 0.961 58.086 57.345 -0.366 0.000 1.470 520 W CB -0.353 28.930 29.460 -0.294 0.000 1.132 520 W HN 0.425 nan 8.180 nan 0.000 0.675 521 T N -2.615 111.718 114.554 -0.369 0.000 3.129 521 T HA -0.014 4.342 4.350 0.009 0.000 0.251 521 T C 0.726 175.164 174.700 -0.436 0.000 1.117 521 T CA -0.078 61.567 62.100 -0.759 0.000 1.034 521 T CB -0.350 67.741 68.868 -1.295 0.000 0.968 521 T HN -0.133 nan 8.240 nan 0.000 0.526 522 N N 3.254 121.766 118.700 -0.312 0.000 2.402 522 N HA 0.173 4.918 4.740 0.009 0.000 0.252 522 N C -1.414 174.014 175.510 -0.135 0.000 1.118 522 N CA -2.270 50.648 53.050 -0.220 0.000 0.945 522 N CB 1.659 39.991 38.487 -0.258 0.000 1.147 522 N HN 0.103 nan 8.380 nan 0.000 0.495 523 P HA -0.201 nan 4.420 nan 0.000 0.217 523 P C 1.022 178.311 177.300 -0.019 0.000 1.148 523 P CA 1.228 64.326 63.100 -0.003 0.000 0.828 523 P CB 0.478 32.192 31.700 0.023 0.000 0.783 524 K N -0.507 119.862 120.400 -0.053 0.000 2.148 524 K HA -0.129 4.197 4.320 0.009 0.000 0.204 524 K C 2.130 178.688 176.600 -0.071 0.000 1.050 524 K CA 0.687 56.942 56.287 -0.054 0.000 0.942 524 K CB -0.476 31.983 32.500 -0.069 0.000 0.724 524 K HN -0.013 nan 8.250 nan 0.000 0.446 525 L N 0.738 121.883 121.223 -0.130 0.000 2.027 525 L HA -0.125 4.221 4.340 0.009 0.000 0.206 525 L C 1.968 178.801 176.870 -0.061 0.000 1.074 525 L CA 1.391 56.123 54.840 -0.180 0.000 0.745 525 L CB -0.427 41.377 42.059 -0.424 0.000 0.898 525 L HN -0.065 nan 8.230 nan 0.000 0.433 526 V N -0.089 119.831 119.914 0.010 0.000 2.295 526 V HA -0.298 3.828 4.120 0.009 0.000 0.246 526 V C 2.526 178.671 176.094 0.085 0.000 1.049 526 V CA 2.047 64.418 62.300 0.118 0.000 1.024 526 V CB -0.593 31.309 31.823 0.131 0.000 0.648 526 V HN 0.507 nan 8.190 nan 0.000 0.447 527 E N -0.169 120.066 120.200 0.058 0.000 2.049 527 E HA -0.233 4.123 4.350 0.009 0.000 0.198 527 E C 2.282 178.929 176.600 0.079 0.000 1.007 527 E CA 2.097 58.535 56.400 0.064 0.000 0.809 527 E CB -0.357 29.367 29.700 0.040 0.000 0.749 527 E HN 0.594 nan 8.360 nan 0.000 0.450 528 T N 0.502 115.088 114.554 0.054 0.000 2.708 528 T HA -0.129 4.227 4.350 0.009 0.000 0.266 528 T C 2.083 176.859 174.700 0.127 0.000 1.037 528 T CA 1.277 63.416 62.100 0.064 0.000 1.146 528 T CB -0.218 68.650 68.868 -0.001 0.000 0.865 528 T HN -0.027 nan 8.240 nan 0.000 0.435 529 V N 1.321 121.305 119.914 0.116 0.000 2.358 529 V HA -0.129 3.996 4.120 0.009 0.000 0.246 529 V C 2.625 178.847 176.094 0.213 0.000 1.047 529 V CA 1.514 63.922 62.300 0.180 0.000 1.035 529 V CB -0.584 31.315 31.823 0.127 0.000 0.658 529 V HN 0.348 nan 8.190 nan 0.000 0.452 530 R N 0.235 120.817 120.500 0.137 0.000 2.073 530 R HA -0.141 4.204 4.340 0.009 0.000 0.234 530 R C 2.467 178.930 176.300 0.271 0.000 1.134 530 R CA 1.593 57.803 56.100 0.183 0.000 0.952 530 R CB -0.645 29.772 30.300 0.194 0.000 0.850 530 R HN 0.534 nan 8.270 nan 0.000 0.433 531 A N 0.227 123.176 122.820 0.215 0.000 1.902 531 A HA -0.207 4.118 4.320 0.009 0.000 0.217 531 A C 1.884 179.600 177.584 0.220 0.000 1.181 531 A CA 1.216 53.364 52.037 0.184 0.000 0.623 531 A CB -0.817 18.269 19.000 0.144 0.000 0.818 531 A HN 0.604 nan 8.150 nan 0.000 0.443 532 W N 0.709 122.053 121.300 0.074 0.000 2.355 532 W HA -0.173 4.492 4.660 0.008 0.000 0.309 532 W C 1.999 178.574 176.519 0.094 0.000 1.206 532 W CA 2.314 59.701 57.345 0.071 0.000 1.284 532 W CB -0.386 29.112 29.460 0.064 0.000 1.145 532 W HN 0.104 nan 8.180 nan 0.000 0.502 533 V N 1.062 121.063 119.914 0.145 0.000 2.295 533 V HA -0.298 3.827 4.120 0.009 0.000 0.246 533 V C 2.376 178.492 176.094 0.036 0.000 1.049 533 V CA 2.318 64.594 62.300 -0.039 0.000 1.024 533 V CB -1.113 30.759 31.823 0.082 0.000 0.648 533 V HN 0.062 nan 8.190 nan 0.000 0.447 534 R N 1.092 121.706 120.500 0.191 0.000 2.127 534 R HA -0.122 4.223 4.340 0.009 0.000 0.238 534 R C 2.103 178.387 176.300 -0.026 0.000 1.134 534 R CA 1.566 57.722 56.100 0.092 0.000 0.975 534 R CB -1.038 29.290 30.300 0.047 0.000 0.865 534 R HN 0.536 nan 8.270 nan 0.000 0.447 535 G N -2.504 106.260 108.800 -0.060 0.000 2.920 535 G HA2 0.199 4.164 3.960 0.009 0.000 0.208 535 G HA3 0.199 4.164 3.960 0.009 0.000 0.208 535 G C 0.741 175.525 174.900 -0.192 0.000 1.159 535 G CA 0.474 45.511 45.100 -0.105 0.000 0.784 535 G HN 0.558 nan 8.290 nan 0.000 0.535 536 G N -1.697 106.945 108.800 -0.264 0.000 2.227 536 G HA2 0.080 4.045 3.960 0.009 0.000 0.168 536 G HA3 0.080 4.045 3.960 0.009 0.000 0.168 536 G C 0.699 175.330 174.900 -0.448 0.000 1.006 536 G CA 0.089 45.024 45.100 -0.274 0.000 0.684 536 G HN 0.835 nan 8.290 nan 0.000 0.489 537 G N -0.146 108.115 108.800 -0.899 0.000 2.653 537 G HA2 0.701 4.667 3.960 0.009 0.000 0.265 537 G HA3 0.701 4.667 3.960 0.009 0.000 0.265 537 G C 0.152 174.646 174.900 -0.676 0.000 1.237 537 G CA 0.478 44.640 45.100 -1.563 0.000 0.946 537 G HN 1.586 nan 8.290 nan 0.000 0.522 538 A N -0.730 121.853 122.820 -0.394 0.000 2.381 538 A HA 0.636 4.961 4.320 0.009 0.000 0.299 538 A C -1.566 176.205 177.584 0.311 0.000 1.049 538 A CA -0.548 51.502 52.037 0.022 0.000 0.715 538 A CB 1.310 20.322 19.000 0.020 0.000 1.222 538 A HN 0.824 nan 8.150 nan 0.000 0.428 539 F N 3.309 123.334 119.950 0.125 0.000 2.449 539 F HA 0.619 5.152 4.527 0.010 0.000 0.342 539 F C -0.897 174.944 175.800 0.068 0.000 1.127 539 F CA -0.577 57.511 58.000 0.147 0.000 0.975 539 F CB 1.757 40.830 39.000 0.121 0.000 1.146 539 F HN 0.337 nan 8.300 nan 0.000 0.444 540 V N 5.639 125.289 119.914 -0.440 0.000 2.384 540 V HA 0.661 4.786 4.120 0.009 0.000 0.287 540 V C 0.248 176.003 176.094 -0.565 0.000 1.020 540 V CA -0.591 61.513 62.300 -0.327 0.000 0.850 540 V CB 1.248 32.962 31.823 -0.181 0.000 0.987 540 V HN 0.941 nan 8.190 nan 0.000 0.436 541 G N 3.695 112.299 108.800 -0.327 0.000 2.416 541 G HA2 0.634 4.599 3.960 0.009 0.000 0.324 541 G HA3 0.634 4.599 3.960 0.009 0.000 0.324 541 G C -1.134 173.628 174.900 -0.230 0.000 1.194 541 G CA -0.428 44.518 45.100 -0.257 0.000 0.922 541 G HN 0.544 nan 8.290 nan 0.000 0.467 542 V N 2.380 122.181 119.914 -0.188 0.000 2.540 542 V HA 0.830 4.955 4.120 0.009 0.000 0.302 542 V C 1.096 177.204 176.094 0.022 0.000 1.035 542 V CA 0.719 62.915 62.300 -0.174 0.000 0.873 542 V CB 0.594 32.377 31.823 -0.067 0.000 0.992 542 V HN 1.638 nan 8.190 nan 0.000 0.428 543 G N 4.841 113.650 108.800 0.015 0.000 3.487 543 G HA2 -0.228 3.738 3.960 0.009 0.000 0.295 543 G HA3 -0.228 3.738 3.960 0.009 0.000 0.295 543 G C 0.142 175.205 174.900 0.273 0.000 1.454 543 G CA 0.444 45.718 45.100 0.290 0.000 1.039 543 G HN 0.720 nan 8.290 nan 0.000 0.624 544 E N 2.328 122.593 120.200 0.108 0.000 3.786 544 E HA 0.316 4.671 4.350 0.009 0.000 0.215 544 E C -2.669 173.670 176.600 -0.434 0.000 1.188 544 E CA -1.578 54.760 56.400 -0.103 0.000 1.248 544 E CB 2.115 32.009 29.700 0.324 0.000 1.260 544 E HN 0.425 nan 8.360 nan 0.000 0.426 545 P HA -0.077 nan 4.420 nan 0.000 0.271 545 P C 0.429 177.347 177.300 -0.635 0.000 1.218 545 P CA 0.385 63.232 63.100 -0.421 0.000 0.780 545 P CB 1.163 32.713 31.700 -0.250 0.000 0.901 546 S N 0.002 115.237 115.700 -0.776 0.000 3.445 546 S HA -0.198 4.278 4.470 0.009 0.000 0.319 546 S C 0.292 174.320 174.600 -0.953 0.000 1.209 546 S CA 0.958 58.110 58.200 -1.746 0.000 0.934 546 S CB -3.132 58.965 63.200 -1.838 0.000 0.999 546 S HN 0.774 nan 8.310 nan 0.000 0.582 547 S N 0.415 115.785 115.700 -0.551 0.000 2.564 547 S HA 0.719 5.194 4.470 0.009 0.000 0.278 547 S C 0.020 174.377 174.600 -0.406 0.000 1.333 547 S CA -0.220 57.666 58.200 -0.523 0.000 1.048 547 S CB 1.532 64.374 63.200 -0.596 0.000 0.900 547 S HN 1.977 nan 8.310 nan 0.000 0.505 548 A N 3.234 125.786 122.820 -0.448 0.000 2.476 548 A HA 0.670 4.995 4.320 0.009 0.000 0.280 548 A C -3.002 174.595 177.584 0.022 0.000 1.081 548 A CA -1.557 50.398 52.037 -0.137 0.000 0.753 548 A CB 1.015 19.988 19.000 -0.044 0.000 1.248 548 A HN 0.643 nan 8.150 nan 0.000 0.424 549 P HA 0.290 nan 4.420 nan 0.000 0.271 549 P C 0.447 177.914 177.300 0.280 0.000 1.218 549 P CA 0.063 63.400 63.100 0.396 0.000 0.780 549 P CB 0.705 32.618 31.700 0.354 0.000 0.901 550 R N -0.785 119.875 120.500 0.266 0.000 3.961 550 R HA -0.276 4.070 4.340 0.009 0.000 0.457 550 R C 1.400 177.818 176.300 0.197 0.000 0.854 550 R CA 1.345 57.556 56.100 0.185 0.000 1.601 550 R CB -2.376 28.010 30.300 0.143 0.000 2.259 550 R HN 0.409 nan 8.270 nan 0.000 0.486 551 F N 1.963 121.961 119.950 0.079 0.000 2.102 551 F HA -0.074 4.459 4.527 0.009 0.000 0.298 551 F C 0.923 176.751 175.800 0.047 0.000 1.105 551 F CA 1.715 59.745 58.000 0.050 0.000 1.239 551 F CB 0.234 39.258 39.000 0.039 0.000 0.991 551 F HN 0.062 nan 8.300 nan 0.000 0.474 552 Q N -0.533 119.283 119.800 0.027 0.000 2.321 552 Q HA 0.200 4.546 4.340 0.009 0.000 0.270 552 Q C 0.800 176.814 176.000 0.022 0.000 1.032 552 Q CA -0.144 55.617 55.803 -0.070 0.000 0.784 552 Q CB 1.837 30.559 28.738 -0.027 0.000 1.264 552 Q HN -0.022 nan 8.270 nan 0.000 0.448 553 T N 1.045 115.592 114.554 -0.011 0.000 2.803 553 T HA -0.146 4.209 4.350 0.009 0.000 0.269 553 T C 1.329 176.040 174.700 0.018 0.000 1.052 553 T CA 1.773 63.878 62.100 0.009 0.000 1.136 553 T CB 0.015 68.876 68.868 -0.012 0.000 0.864 553 T HN 0.837 nan 8.240 nan 0.000 0.467 554 G N 0.133 108.942 108.800 0.015 0.000 3.393 554 G HA2 0.372 4.337 3.960 0.009 0.000 0.255 554 G HA3 0.372 4.337 3.960 0.009 0.000 0.255 554 G C 0.286 175.215 174.900 0.048 0.000 1.097 554 G CA -0.481 44.634 45.100 0.024 0.000 0.780 554 G HN 0.286 nan 8.290 nan 0.000 0.540 555 R N -0.632 119.908 120.500 0.066 0.000 2.549 555 R HA 0.436 4.782 4.340 0.009 0.000 0.291 555 R C -0.702 175.685 176.300 0.146 0.000 1.164 555 R CA -0.706 55.437 56.100 0.072 0.000 0.973 555 R CB 0.460 30.794 30.300 0.056 0.000 1.210 555 R HN -0.045 nan 8.270 nan 0.000 0.422 556 F N 4.107 124.003 119.950 -0.089 0.000 2.222 556 F HA 0.406 4.938 4.527 0.008 0.000 0.285 556 F C -0.087 175.752 175.800 0.065 0.000 1.068 556 F CA 0.278 58.245 58.000 -0.054 0.000 1.265 556 F CB 0.296 39.185 39.000 -0.185 0.000 1.087 556 F HN 0.380 nan 8.300 nan 0.000 0.511 557 F N 2.970 122.852 119.950 -0.113 0.000 2.502 557 F HA 0.166 4.698 4.527 0.009 0.000 0.371 557 F C 1.563 177.220 175.800 -0.238 0.000 1.083 557 F CA -0.848 56.987 58.000 -0.275 0.000 1.174 557 F CB -0.063 38.807 39.000 -0.217 0.000 1.096 557 F HN 0.145 nan 8.300 nan 0.000 0.545 558 Q N 2.691 122.411 119.800 -0.134 0.000 2.167 558 Q HA -0.026 4.319 4.340 0.009 0.000 0.202 558 Q C 1.534 177.459 176.000 -0.124 0.000 0.970 558 Q CA 1.117 56.870 55.803 -0.082 0.000 0.855 558 Q CB -0.004 28.717 28.738 -0.027 0.000 0.911 558 Q HN 0.657 nan 8.270 nan 0.000 0.438 559 L N 0.677 121.727 121.223 -0.289 0.000 2.851 559 L HA 0.244 4.590 4.340 0.009 0.000 0.237 559 L C 1.649 178.410 176.870 -0.183 0.000 1.257 559 L CA -0.232 54.422 54.840 -0.310 0.000 1.061 559 L CB -0.361 41.326 42.059 -0.620 0.000 1.372 559 L HN 0.013 nan 8.230 nan 0.000 0.493 560 A N 1.034 123.818 122.820 -0.061 0.000 1.986 560 A HA -0.264 4.061 4.320 0.009 0.000 0.220 560 A C 2.083 179.635 177.584 -0.053 0.000 1.171 560 A CA 2.128 54.151 52.037 -0.024 0.000 0.640 560 A CB -0.316 18.652 19.000 -0.054 0.000 0.811 560 A HN 0.664 nan 8.150 nan 0.000 0.451 561 D N -0.022 120.355 120.400 -0.039 0.000 2.178 561 D HA -0.112 4.533 4.640 0.009 0.000 0.201 561 D C 1.780 178.072 176.300 -0.013 0.000 0.980 561 D CA 1.616 55.641 54.000 0.042 0.000 0.842 561 D CB -0.829 40.063 40.800 0.153 0.000 0.948 561 D HN 0.280 nan 8.370 nan 0.000 0.472 562 V N 1.829 121.556 119.914 -0.311 0.000 2.323 562 V HA -0.158 3.967 4.120 0.009 0.000 0.244 562 V C 2.639 178.649 176.094 -0.139 0.000 1.041 562 V CA 1.724 63.679 62.300 -0.575 0.000 1.025 562 V CB -0.538 30.854 31.823 -0.719 0.000 0.656 562 V HN 0.379 nan 8.190 nan 0.000 0.451 563 I N -2.001 118.547 120.570 -0.037 0.000 3.603 563 I HA 0.453 4.628 4.170 0.009 0.000 0.297 563 I C 1.524 177.670 176.117 0.050 0.000 1.269 563 I CA 0.992 62.338 61.300 0.077 0.000 1.361 563 I CB 0.005 38.111 38.000 0.178 0.000 1.063 563 I HN 0.398 nan 8.210 nan 0.000 0.448 564 G N 1.563 110.362 108.800 -0.003 0.000 2.157 564 G HA2 -0.186 3.780 3.960 0.009 0.000 0.248 564 G HA3 -0.186 3.780 3.960 0.009 0.000 0.248 564 G C -0.013 174.801 174.900 -0.143 0.000 0.979 564 G CA 0.103 45.181 45.100 -0.036 0.000 0.650 564 G HN 0.355 nan 8.290 nan 0.000 0.529 565 V N 0.083 119.880 119.914 -0.195 0.000 2.841 565 V HA 0.777 4.902 4.120 0.009 0.000 0.310 565 V C -0.671 175.176 176.094 -0.412 0.000 1.090 565 V CA -0.674 61.389 62.300 -0.395 0.000 0.930 565 V CB 2.147 33.654 31.823 -0.527 0.000 1.014 565 V HN 0.273 nan 8.190 nan 0.000 0.425 566 D N 1.426 121.334 120.400 -0.819 0.000 2.531 566 D HA 0.416 5.062 4.640 0.009 0.000 0.244 566 D C -1.028 174.618 176.300 -1.090 0.000 1.090 566 D CA -0.538 52.877 54.000 -0.973 0.000 0.989 566 D CB 2.641 42.975 40.800 -0.777 0.000 1.433 566 D HN 0.652 nan 8.370 nan 0.000 0.492 567 E N 0.997 120.542 120.200 -1.092 0.000 2.133 567 E HA 0.220 4.576 4.350 0.009 0.000 0.274 567 E C -0.942 175.490 176.600 -0.279 0.000 0.930 567 E CA -0.622 55.436 56.400 -0.569 0.000 0.770 567 E CB 1.097 30.506 29.700 -0.485 0.000 1.104 567 E HN 0.257 nan 8.360 nan 0.000 0.403 568 E N 3.561 123.713 120.200 -0.079 0.000 2.366 568 E HA -0.030 4.326 4.350 0.009 0.000 0.266 568 E C -0.251 176.103 176.600 -0.410 0.000 1.015 568 E CA 0.285 56.581 56.400 -0.173 0.000 0.906 568 E CB 0.501 30.057 29.700 -0.240 0.000 0.979 568 E HN 0.365 nan 8.360 nan 0.000 0.443 569 R N 4.234 124.512 120.500 -0.369 0.000 2.613 569 R HA 0.091 4.436 4.340 0.009 0.000 0.361 569 R C -0.372 175.896 176.300 -0.053 0.000 1.072 569 R CA -0.415 55.493 56.100 -0.320 0.000 1.089 569 R CB -0.513 29.517 30.300 -0.450 0.000 1.343 569 R HN 0.803 nan 8.270 nan 0.000 0.571 570 Y N -0.517 119.711 120.300 -0.119 0.000 4.668 570 Y HA -0.296 4.259 4.550 0.008 0.000 0.234 570 Y C 1.384 177.238 175.900 -0.078 0.000 1.056 570 Y CA 0.758 58.805 58.100 -0.089 0.000 2.025 570 Y CB -1.542 36.873 38.460 -0.075 0.000 1.613 570 Y HN 0.121 nan 8.280 nan 0.000 0.653 571 Q N -0.469 119.330 119.800 -0.001 0.000 2.376 571 Q HA 0.121 4.466 4.340 0.009 0.000 0.206 571 Q C 1.553 177.531 176.000 -0.037 0.000 0.921 571 Q CA 1.466 57.264 55.803 -0.009 0.000 0.911 571 Q CB 0.133 28.864 28.738 -0.012 0.000 1.032 571 Q HN 0.678 nan 8.270 nan 0.000 0.510 572 T N -2.546 111.961 114.554 -0.080 0.000 3.293 572 T HA 0.386 4.742 4.350 0.009 0.000 0.276 572 T C 1.332 175.945 174.700 -0.146 0.000 1.003 572 T CA -0.222 61.813 62.100 -0.108 0.000 0.916 572 T CB -0.286 68.510 68.868 -0.121 0.000 1.134 572 T HN -0.001 nan 8.240 nan 0.000 0.530 573 L N 0.400 121.560 121.223 -0.105 0.000 2.275 573 L HA 0.011 4.356 4.340 0.009 0.000 0.215 573 L C 2.579 179.392 176.870 -0.095 0.000 1.119 573 L CA 0.669 55.447 54.840 -0.104 0.000 0.790 573 L CB -0.474 41.561 42.059 -0.039 0.000 0.919 573 L HN 0.350 nan 8.230 nan 0.000 0.443 574 S N -0.681 114.973 115.700 -0.076 0.000 2.447 574 S HA -0.021 4.454 4.470 0.009 0.000 0.233 574 S C 0.883 175.434 174.600 -0.081 0.000 1.006 574 S CA 0.265 58.426 58.200 -0.065 0.000 0.957 574 S CB 0.013 63.187 63.200 -0.043 0.000 0.773 574 S HN 0.088 nan 8.310 nan 0.000 0.507 575 V N 3.550 123.395 119.914 -0.114 0.000 2.389 575 V HA 0.169 4.295 4.120 0.009 0.000 0.264 575 V C -0.362 175.610 176.094 -0.202 0.000 1.049 575 V CA -0.781 61.441 62.300 -0.131 0.000 0.932 575 V CB 0.338 32.081 31.823 -0.132 0.000 1.011 575 V HN 0.232 nan 8.190 nan 0.000 0.475 576 D N 4.694 124.979 120.400 -0.191 0.000 2.458 576 D HA 0.147 4.793 4.640 0.009 0.000 0.243 576 D C 0.134 176.137 176.300 -0.494 0.000 1.146 576 D CA 0.279 54.065 54.000 -0.356 0.000 0.877 576 D CB 0.566 41.120 40.800 -0.410 0.000 1.176 576 D HN 0.324 nan 8.370 nan 0.000 0.461 577 K N 2.558 122.660 120.400 -0.497 0.000 2.211 577 K HA 0.299 4.625 4.320 0.009 0.000 0.275 577 K C -1.020 175.389 176.600 -0.318 0.000 1.024 577 K CA -0.570 55.516 56.287 -0.335 0.000 0.887 577 K CB 0.803 33.200 32.500 -0.172 0.000 1.084 577 K HN 0.401 nan 8.250 nan 0.000 0.463 578 Y N 2.157 122.551 120.300 0.156 0.000 2.328 578 Y HA 0.348 4.903 4.550 0.009 0.000 0.333 578 Y C -0.193 175.849 175.900 0.236 0.000 0.958 578 Y CA -0.819 57.392 58.100 0.184 0.000 1.167 578 Y CB 0.887 39.388 38.460 0.069 0.000 1.151 578 Y HN 0.395 nan 8.280 nan 0.000 0.470 579 F N 5.982 125.989 119.950 0.095 0.000 2.410 579 F HA 0.415 4.947 4.527 0.008 0.000 0.349 579 F C -1.797 173.983 175.800 -0.034 0.000 1.117 579 F CA -2.423 55.597 58.000 0.034 0.000 1.104 579 F CB 1.204 40.213 39.000 0.016 0.000 1.122 579 F HN 0.329 nan 8.300 nan 0.000 0.483 580 P HA 0.125 nan 4.420 nan 0.000 0.272 580 P C -2.696 174.549 177.300 -0.091 0.000 1.240 580 P CA -1.428 61.672 63.100 0.000 0.000 0.791 580 P CB -0.087 31.622 31.700 0.015 0.000 0.978 581 P HA 0.026 nan 4.420 nan 0.000 0.266 581 P C -0.194 177.158 177.300 0.087 0.000 1.195 581 P CA 0.124 63.055 63.100 -0.282 0.000 0.768 581 P CB 0.166 31.806 31.700 -0.100 0.000 0.838 582 V N 3.938 124.051 119.914 0.332 0.000 2.740 582 V HA -0.011 4.114 4.120 0.009 0.000 0.303 582 V C 0.541 176.844 176.094 0.348 0.000 1.054 582 V CA 0.122 62.645 62.300 0.371 0.000 1.106 582 V CB 0.955 33.068 31.823 0.483 0.000 0.957 582 V HN 0.221 nan 8.190 nan 0.000 0.486 583 V N 7.937 127.970 119.914 0.199 0.000 2.288 583 V HA 0.207 4.333 4.120 0.009 0.000 0.266 583 V C -1.079 175.082 176.094 0.112 0.000 1.048 583 V CA -0.881 61.523 62.300 0.174 0.000 0.842 583 V CB 1.043 32.954 31.823 0.147 0.000 1.064 583 V HN 0.857 nan 8.190 nan 0.000 0.472 584 P HA -0.010 nan 4.420 nan 0.000 0.220 584 P C 0.072 177.380 177.300 0.013 0.000 1.152 584 P CA 0.824 63.909 63.100 -0.025 0.000 0.812 584 P CB 0.434 32.095 31.700 -0.066 0.000 0.792 585 D N 0.561 121.003 120.400 0.070 0.000 2.329 585 D HA 0.273 4.918 4.640 0.009 0.000 0.232 585 D C -0.029 176.340 176.300 0.116 0.000 1.088 585 D CA 0.287 54.325 54.000 0.063 0.000 0.835 585 D CB 1.067 41.899 40.800 0.055 0.000 1.078 585 D HN 0.216 nan 8.370 nan 0.000 0.495 586 H N 1.546 120.595 119.070 -0.035 0.000 3.094 586 H HA -0.016 4.545 4.556 0.009 0.000 0.346 586 H C 0.023 175.322 175.328 -0.049 0.000 1.238 586 H CA -0.642 55.384 56.048 -0.037 0.000 1.209 586 H CB 1.203 30.914 29.762 -0.085 0.000 1.911 586 H HN 0.246 nan 8.280 nan 0.000 0.540 587 F N 3.544 123.256 119.950 -0.398 0.000 2.085 587 F HA -0.263 4.270 4.527 0.010 0.000 0.299 587 F C 1.915 177.647 175.800 -0.114 0.000 1.096 587 F CA 2.387 60.242 58.000 -0.241 0.000 1.227 587 F CB -0.208 38.643 39.000 -0.248 0.000 0.983 587 F HN 0.580 nan 8.300 nan 0.000 0.482 588 I N -0.322 120.368 120.570 0.199 0.000 2.315 588 I HA -0.261 3.915 4.170 0.009 0.000 0.248 588 I C 1.957 177.998 176.117 -0.126 0.000 1.117 588 I CA 1.806 63.107 61.300 0.001 0.000 1.404 588 I CB -0.583 37.404 38.000 -0.022 0.000 1.071 588 I HN 0.307 nan 8.210 nan 0.000 0.419 589 T N -1.857 112.649 114.554 -0.079 0.000 3.163 589 T HA 0.346 4.701 4.350 0.009 0.000 0.252 589 T C 1.576 176.196 174.700 -0.134 0.000 1.056 589 T CA 0.331 62.370 62.100 -0.102 0.000 0.947 589 T CB 0.284 69.112 68.868 -0.067 0.000 1.016 589 T HN 0.237 nan 8.240 nan 0.000 0.554 590 A N 2.052 124.750 122.820 -0.203 0.000 2.019 590 A HA -0.058 4.267 4.320 0.009 0.000 0.219 590 A C 1.967 179.450 177.584 -0.169 0.000 1.164 590 A CA 1.253 53.170 52.037 -0.200 0.000 0.644 590 A CB -0.352 18.465 19.000 -0.304 0.000 0.805 590 A HN 0.450 nan 8.150 nan 0.000 0.449 591 D N -0.661 119.631 120.400 -0.180 0.000 2.349 591 D HA 0.162 4.807 4.640 0.009 0.000 0.214 591 D C 0.032 176.264 176.300 -0.113 0.000 1.063 591 D CA 0.081 54.002 54.000 -0.132 0.000 0.847 591 D CB 0.305 41.031 40.800 -0.124 0.000 0.933 591 D HN 0.143 nan 8.370 nan 0.000 0.513 592 V N 3.121 122.963 119.914 -0.119 0.000 2.529 592 V HA 0.072 4.197 4.120 0.009 0.000 0.292 592 V C -1.859 174.179 176.094 -0.093 0.000 1.028 592 V CA -1.145 61.087 62.300 -0.114 0.000 1.074 592 V CB 0.292 32.042 31.823 -0.121 0.000 0.958 592 V HN -0.042 nan 8.190 nan 0.000 0.481 593 P HA 0.096 nan 4.420 nan 0.000 0.264 593 P C -0.393 176.869 177.300 -0.064 0.000 1.193 593 P CA 0.039 63.098 63.100 -0.068 0.000 0.763 593 P CB 0.314 31.975 31.700 -0.064 0.000 0.810 594 V N 3.396 123.279 119.914 -0.051 0.000 2.649 594 V HA 0.161 4.287 4.120 0.009 0.000 0.292 594 V C 0.539 176.613 176.094 -0.034 0.000 1.055 594 V CA 0.254 62.527 62.300 -0.044 0.000 1.023 594 V CB 1.127 32.931 31.823 -0.032 0.000 0.992 594 V HN 0.546 nan 8.190 nan 0.000 0.480 595 D N 5.503 125.883 120.400 -0.032 0.000 2.438 595 D HA 0.376 5.022 4.640 0.009 0.000 0.257 595 D C -1.913 174.384 176.300 -0.004 0.000 1.148 595 D CA -2.060 51.928 54.000 -0.020 0.000 0.902 595 D CB 2.199 42.984 40.800 -0.026 0.000 1.062 595 D HN 0.168 nan 8.370 nan 0.000 0.518 596 P HA -0.046 nan 4.420 nan 0.000 0.218 596 P C 1.075 178.393 177.300 0.030 0.000 1.149 596 P CA 0.930 64.042 63.100 0.019 0.000 0.817 596 P CB 0.333 32.042 31.700 0.015 0.000 0.785 597 A N -0.061 122.773 122.820 0.023 0.000 1.929 597 A HA 0.035 4.360 4.320 0.009 0.000 0.216 597 A C 2.303 179.912 177.584 0.041 0.000 1.176 597 A CA 1.696 53.750 52.037 0.028 0.000 0.628 597 A CB -1.409 17.602 19.000 0.018 0.000 0.816 597 A HN 0.195 nan 8.150 nan 0.000 0.444 598 A N -0.079 122.762 122.820 0.035 0.000 1.873 598 A HA -0.109 4.217 4.320 0.009 0.000 0.215 598 A C 2.199 179.843 177.584 0.100 0.000 1.186 598 A CA 1.733 53.798 52.037 0.048 0.000 0.616 598 A CB -0.449 18.556 19.000 0.008 0.000 0.823 598 A HN 0.504 nan 8.150 nan 0.000 0.442 599 R N -0.029 120.522 120.500 0.086 0.000 2.096 599 R HA -0.145 4.201 4.340 0.009 0.000 0.235 599 R C 2.016 178.472 176.300 0.260 0.000 1.127 599 R CA 1.860 58.067 56.100 0.178 0.000 0.968 599 R CB -0.268 30.096 30.300 0.106 0.000 0.861 599 R HN 0.695 nan 8.270 nan 0.000 0.440 600 E N -0.417 119.868 120.200 0.141 0.000 2.028 600 E HA -0.167 4.188 4.350 0.009 0.000 0.191 600 E C 1.992 178.640 176.600 0.080 0.000 0.988 600 E CA 1.155 57.611 56.400 0.094 0.000 0.799 600 E CB -0.177 29.555 29.700 0.054 0.000 0.755 600 E HN 0.477 nan 8.360 nan 0.000 0.447 601 A N 0.819 123.690 122.820 0.085 0.000 1.940 601 A HA -0.210 4.116 4.320 0.009 0.000 0.219 601 A C 1.873 179.509 177.584 0.088 0.000 1.176 601 A CA 1.545 53.622 52.037 0.066 0.000 0.631 601 A CB -0.963 18.076 19.000 0.065 0.000 0.814 601 A HN 0.579 nan 8.150 nan 0.000 0.446 602 W N 0.604 121.874 121.300 -0.051 0.000 2.409 602 W HA -0.079 4.587 4.660 0.010 0.000 0.299 602 W C 1.862 178.305 176.519 -0.128 0.000 1.203 602 W CA 1.653 58.951 57.345 -0.079 0.000 1.298 602 W CB -0.169 29.261 29.460 -0.049 0.000 1.127 602 W HN 0.427 nan 8.180 nan 0.000 0.528 603 E N -0.097 120.010 120.200 -0.155 0.000 2.051 603 E HA -0.292 4.063 4.350 0.009 0.000 0.192 603 E C 2.286 178.673 176.600 -0.354 0.000 0.991 603 E CA 1.685 57.830 56.400 -0.426 0.000 0.799 603 E CB -0.214 29.426 29.700 -0.100 0.000 0.748 603 E HN 0.222 nan 8.360 nan 0.000 0.449 604 Q N -0.106 119.582 119.800 -0.185 0.000 2.020 604 Q HA -0.106 4.240 4.340 0.009 0.000 0.202 604 Q C 2.174 178.066 176.000 -0.180 0.000 0.982 604 Q CA 1.563 57.279 55.803 -0.144 0.000 0.838 604 Q CB -0.597 28.097 28.738 -0.073 0.000 0.899 604 Q HN 0.282 nan 8.270 nan 0.000 0.423 605 A N 0.323 123.030 122.820 -0.189 0.000 2.019 605 A HA 0.168 4.493 4.320 0.009 0.000 0.219 605 A C 1.316 178.732 177.584 -0.281 0.000 1.164 605 A CA 1.462 53.389 52.037 -0.183 0.000 0.644 605 A CB -0.895 18.028 19.000 -0.128 0.000 0.805 605 A HN 0.466 nan 8.150 nan 0.000 0.449 606 G N -1.832 106.673 108.800 -0.492 0.000 2.578 606 G HA2 -0.236 3.730 3.960 0.009 0.000 0.275 606 G HA3 -0.236 3.730 3.960 0.009 0.000 0.275 606 G C -0.260 174.242 174.900 -0.664 0.000 1.271 606 G CA 0.427 45.120 45.100 -0.678 0.000 0.941 606 G HN 0.658 nan 8.290 nan 0.000 0.564 607 Y N 0.261 120.470 120.300 -0.151 0.000 2.487 607 Y HA 0.658 5.213 4.550 0.009 0.000 0.337 607 Y C 1.274 177.136 175.900 -0.063 0.000 1.076 607 Y CA -0.934 57.111 58.100 -0.093 0.000 1.115 607 Y CB 1.167 39.592 38.460 -0.058 0.000 1.235 607 Y HN 0.593 nan 8.280 nan 0.000 0.468 608 R N 1.937 122.510 120.500 0.122 0.000 2.522 608 R HA 0.198 4.543 4.340 0.009 0.000 0.284 608 R C -0.717 175.626 176.300 0.071 0.000 1.032 608 R CA -0.013 56.117 56.100 0.050 0.000 1.049 608 R CB 0.164 30.463 30.300 -0.002 0.000 0.956 608 R HN 0.565 nan 8.270 nan 0.000 0.422 609 I N 5.336 125.937 120.570 0.051 0.000 2.575 609 I HA 0.079 4.255 4.170 0.009 0.000 0.285 609 I C -1.713 174.448 176.117 0.073 0.000 1.085 609 I CA -1.889 59.446 61.300 0.057 0.000 1.403 609 I CB 0.706 38.726 38.000 0.033 0.000 1.409 609 I HN 0.316 nan 8.210 nan 0.000 0.557 610 P HA 0.059 nan 4.420 nan 0.000 0.261 610 P C -0.973 176.384 177.300 0.096 0.000 1.173 610 P CA 0.329 63.537 63.100 0.180 0.000 0.760 610 P CB 0.382 32.216 31.700 0.224 0.000 0.783 611 L N 1.816 123.079 121.223 0.067 0.000 2.422 611 L HA 0.353 4.698 4.340 0.009 0.000 0.264 611 L C 0.124 177.003 176.870 0.015 0.000 0.984 611 L CA -0.985 53.872 54.840 0.029 0.000 0.819 611 L CB 2.277 44.339 42.059 0.005 0.000 1.330 611 L HN 0.260 nan 8.230 nan 0.000 0.410 612 S N 1.853 117.561 115.700 0.013 0.000 2.563 612 S HA 0.224 4.699 4.470 0.009 0.000 0.294 612 S C 1.183 175.771 174.600 -0.020 0.000 1.279 612 S CA 1.062 59.264 58.200 0.004 0.000 1.069 612 S CB 0.248 63.450 63.200 0.004 0.000 0.828 612 S HN 1.165 nan 8.310 nan 0.000 0.497 613 G N 3.183 111.961 108.800 -0.036 0.000 2.175 613 G HA2 -0.278 3.688 3.960 0.009 0.000 0.265 613 G HA3 -0.278 3.688 3.960 0.009 0.000 0.265 613 G C 0.610 175.460 174.900 -0.083 0.000 0.979 613 G CA 0.481 45.546 45.100 -0.058 0.000 0.663 613 G HN 0.943 nan 8.290 nan 0.000 0.533 614 C N 0.148 119.393 119.300 -0.092 0.000 3.491 614 C HA 0.643 5.108 4.460 0.009 0.000 0.298 614 C C 2.062 176.952 174.990 -0.167 0.000 1.424 614 C CA 0.042 58.995 59.018 -0.107 0.000 1.772 614 C CB -0.659 27.039 27.740 -0.069 0.000 2.447 614 C HN 1.904 nan 8.230 nan 0.000 0.670 615 G N 1.296 109.942 108.800 -0.257 0.000 2.578 615 G HA2 0.248 4.213 3.960 0.009 0.000 0.284 615 G HA3 0.248 4.213 3.960 0.009 0.000 0.284 615 G C -0.022 174.749 174.900 -0.215 0.000 1.283 615 G CA 0.182 44.971 45.100 -0.518 0.000 0.944 615 G HN 1.351 nan 8.290 nan 0.000 0.558 616 G N -3.845 104.884 108.800 -0.118 0.000 2.576 616 G HA2 0.728 4.693 3.960 0.009 0.000 0.290 616 G HA3 0.728 4.693 3.960 0.009 0.000 0.290 616 G C 0.900 175.892 174.900 0.154 0.000 1.442 616 G CA 1.168 46.352 45.100 0.140 0.000 0.792 616 G HN 2.612 nan 8.290 nan 0.000 0.491 617 G N -1.168 107.685 108.800 0.088 0.000 2.195 617 G HA2 -0.210 3.755 3.960 0.009 0.000 0.246 617 G HA3 -0.210 3.755 3.960 0.009 0.000 0.246 617 G C 0.372 175.256 174.900 -0.027 0.000 0.984 617 G CA 0.764 45.880 45.100 0.026 0.000 0.633 617 G HN 0.933 nan 8.290 nan 0.000 0.525 618 Q N 1.697 121.396 119.800 -0.169 0.000 2.311 618 Q HA 0.497 4.842 4.340 0.009 0.000 0.272 618 Q C 0.899 176.972 176.000 0.122 0.000 1.012 618 Q CA 0.599 56.245 55.803 -0.262 0.000 0.891 618 Q CB 1.011 29.438 28.738 -0.518 0.000 1.201 618 Q HN 0.742 nan 8.270 nan 0.000 0.391 619 S N 1.815 117.687 115.700 0.287 0.000 2.562 619 S HA 0.154 4.629 4.470 0.009 0.000 0.281 619 S C 0.727 175.373 174.600 0.077 0.000 1.333 619 S CA -0.480 57.863 58.200 0.238 0.000 1.052 619 S CB 0.447 63.884 63.200 0.394 0.000 0.884 619 S HN 0.647 nan 8.310 nan 0.000 0.506 620 I N 1.279 121.837 120.570 -0.020 0.000 2.617 620 I HA 0.055 4.230 4.170 0.009 0.000 0.256 620 I C 1.012 177.138 176.117 0.016 0.000 1.167 620 I CA 0.861 62.149 61.300 -0.019 0.000 1.469 620 I CB -0.023 37.943 38.000 -0.058 0.000 1.098 620 I HN 0.590 nan 8.210 nan 0.000 0.436 621 K N 1.197 121.629 120.400 0.052 0.000 2.318 621 K HA 0.392 4.717 4.320 0.009 0.000 0.249 621 K C -2.507 174.232 176.600 0.232 0.000 0.942 621 K CA -1.883 54.471 56.287 0.111 0.000 0.808 621 K CB 1.923 34.478 32.500 0.091 0.000 1.189 621 K HN -0.240 nan 8.250 nan 0.000 0.428 622 P HA 0.007 nan 4.420 nan 0.000 0.275 622 P C 0.074 177.425 177.300 0.084 0.000 1.228 622 P CA -0.417 62.764 63.100 0.135 0.000 0.786 622 P CB 0.908 32.655 31.700 0.079 0.000 0.927 623 L N 3.126 124.282 121.223 -0.112 0.000 2.095 623 L HA 0.176 4.522 4.340 0.009 0.000 0.204 623 L C 1.312 178.086 176.870 -0.159 0.000 1.080 623 L CA 2.425 57.048 54.840 -0.362 0.000 0.759 623 L CB -1.557 39.975 42.059 -0.878 0.000 0.914 623 L HN 0.817 nan 8.230 nan 0.000 0.439 624 G N -1.014 107.742 108.800 -0.073 0.000 2.641 624 G HA2 0.082 4.048 3.960 0.009 0.000 0.254 624 G HA3 0.082 4.048 3.960 0.009 0.000 0.254 624 G C 0.939 175.808 174.900 -0.052 0.000 1.315 624 G CA 0.109 45.199 45.100 -0.017 0.000 0.907 624 G HN 1.507 nan 8.290 nan 0.000 0.572 625 G N -2.360 106.406 108.800 -0.057 0.000 2.213 625 G HA2 -0.048 3.917 3.960 0.009 0.000 0.236 625 G HA3 -0.048 3.917 3.960 0.009 0.000 0.236 625 G C 0.262 175.078 174.900 -0.139 0.000 0.991 625 G CA 0.851 45.896 45.100 -0.091 0.000 0.629 625 G HN 1.696 nan 8.290 nan 0.000 0.517 626 I N 1.112 121.579 120.570 -0.171 0.000 2.499 626 I HA 0.349 4.525 4.170 0.009 0.000 0.288 626 I C -1.140 174.709 176.117 -0.448 0.000 1.048 626 I CA -0.918 60.136 61.300 -0.409 0.000 1.062 626 I CB 2.096 39.668 38.000 -0.715 0.000 1.238 626 I HN 0.021 nan 8.210 nan 0.000 0.426 627 D N 5.621 125.786 120.400 -0.390 0.000 2.352 627 D HA 0.193 4.838 4.640 0.009 0.000 0.245 627 D C 0.046 176.137 176.300 -0.349 0.000 1.224 627 D CA 0.210 54.068 54.000 -0.237 0.000 0.879 627 D CB 0.422 41.144 40.800 -0.130 0.000 1.057 627 D HN 0.287 nan 8.370 nan 0.000 0.491 628 F N 2.303 122.215 119.950 -0.063 0.000 2.693 628 F HA 0.300 4.833 4.527 0.011 0.000 0.303 628 F C 1.936 177.641 175.800 -0.158 0.000 1.097 628 F CA 0.351 58.285 58.000 -0.110 0.000 1.330 628 F CB 0.126 39.073 39.000 -0.089 0.000 1.067 628 F HN 0.609 nan 8.300 nan 0.000 0.565 629 G N 0.268 109.078 108.800 0.018 0.000 2.527 629 G HA2 -0.247 3.718 3.960 0.009 0.000 0.268 629 G HA3 -0.247 3.718 3.960 0.009 0.000 0.268 629 G C -0.177 174.708 174.900 -0.026 0.000 1.175 629 G CA -0.598 44.444 45.100 -0.098 0.000 0.962 629 G HN 0.111 nan 8.290 nan 0.000 0.560 630 E N 2.848 122.962 120.200 -0.143 0.000 2.344 630 E HA 0.314 4.670 4.350 0.009 0.000 0.270 630 E C -1.665 174.944 176.600 0.015 0.000 1.021 630 E CA -0.846 55.547 56.400 -0.011 0.000 0.887 630 E CB 0.901 30.587 29.700 -0.024 0.000 0.997 630 E HN 0.410 nan 8.360 nan 0.000 0.429 631 P HA 0.071 nan 4.420 nan 0.000 0.271 631 P C -0.422 176.942 177.300 0.106 0.000 1.218 631 P CA -0.265 62.882 63.100 0.079 0.000 0.780 631 P CB 0.704 32.455 31.700 0.084 0.000 0.901 632 V N 4.401 124.394 119.914 0.132 0.000 2.318 632 V HA 0.165 4.291 4.120 0.009 0.000 0.271 632 V C 0.793 176.977 176.094 0.149 0.000 1.030 632 V CA -0.635 61.779 62.300 0.191 0.000 0.844 632 V CB 0.393 32.400 31.823 0.307 0.000 1.015 632 V HN 0.412 nan 8.190 nan 0.000 0.460 633 L N 5.579 126.875 121.223 0.122 0.000 2.455 633 L HA 0.250 4.595 4.340 0.009 0.000 0.272 633 L C 0.976 177.868 176.870 0.037 0.000 1.174 633 L CA 0.040 54.930 54.840 0.083 0.000 0.869 633 L CB 0.061 42.173 42.059 0.090 0.000 1.130 633 L HN 0.788 nan 8.230 nan 0.000 0.474 634 N N -0.104 118.618 118.700 0.037 0.000 2.776 634 N HA -0.145 4.600 4.740 0.009 0.000 0.250 634 N C 0.191 175.728 175.510 0.045 0.000 1.112 634 N CA 1.097 54.153 53.050 0.010 0.000 0.733 634 N CB -1.618 36.784 38.487 -0.141 0.000 1.097 634 N HN 0.879 nan 8.380 nan 0.000 0.558 635 T N -0.833 113.744 114.554 0.038 0.000 2.926 635 T HA 0.404 4.760 4.350 0.009 0.000 0.307 635 T C 0.132 174.837 174.700 0.009 0.000 1.059 635 T CA -0.172 61.883 62.100 -0.074 0.000 1.122 635 T CB 0.968 69.770 68.868 -0.109 0.000 0.972 635 T HN 0.351 nan 8.240 nan 0.000 0.545 636 Y N -0.687 119.448 120.300 -0.275 0.000 2.581 636 Y HA 0.704 5.259 4.550 0.009 0.000 0.337 636 Y C -3.289 172.307 175.900 -0.507 0.000 1.108 636 Y CA -3.298 54.517 58.100 -0.474 0.000 1.033 636 Y CB 0.784 39.052 38.460 -0.320 0.000 1.318 636 Y HN 0.473 nan 8.280 nan 0.000 0.459 637 P HA 0.080 nan 4.420 nan 0.000 0.280 637 P C 0.801 177.995 177.300 -0.176 0.000 1.244 637 P CA -0.278 62.597 63.100 -0.375 0.000 0.784 637 P CB 2.219 33.714 31.700 -0.343 0.000 0.913 638 V N 0.159 119.966 119.914 -0.178 0.000 2.809 638 V HA -0.048 4.077 4.120 0.009 0.000 0.256 638 V C 0.557 176.673 176.094 0.037 0.000 1.080 638 V CA 1.354 63.629 62.300 -0.042 0.000 1.102 638 V CB -1.671 30.105 31.823 -0.080 0.000 0.705 638 V HN 0.713 nan 8.190 nan 0.000 0.475 639 N N -1.492 117.212 118.700 0.007 0.000 3.106 639 N HA 0.267 5.012 4.740 0.009 0.000 0.253 639 N C -0.202 175.318 175.510 0.018 0.000 1.506 639 N CA -0.516 52.553 53.050 0.031 0.000 0.876 639 N CB 0.888 39.396 38.487 0.034 0.000 1.452 639 N HN -0.011 nan 8.380 nan 0.000 0.542 640 E N -1.190 119.028 120.200 0.031 0.000 2.489 640 E HA 0.149 4.504 4.350 0.009 0.000 0.193 640 E C -0.141 176.472 176.600 0.022 0.000 1.057 640 E CA 0.255 56.672 56.400 0.027 0.000 0.866 640 E CB -0.365 29.354 29.700 0.031 0.000 0.916 640 E HN 0.521 nan 8.360 nan 0.000 0.500 641 N N -0.380 118.334 118.700 0.024 0.000 2.336 641 N HA 0.023 4.768 4.740 0.009 0.000 0.189 641 N C -0.357 175.177 175.510 0.040 0.000 1.113 641 N CA -0.192 52.878 53.050 0.033 0.000 0.858 641 N CB 0.877 39.384 38.487 0.034 0.000 0.970 641 N HN -0.126 nan 8.380 nan 0.000 0.471 642 V N 1.405 121.334 119.914 0.025 0.000 2.715 642 V HA 0.045 4.170 4.120 0.009 0.000 0.299 642 V C 0.544 176.653 176.094 0.025 0.000 1.054 642 V CA 0.009 62.322 62.300 0.022 0.000 1.077 642 V CB 1.261 33.072 31.823 -0.020 0.000 0.972 642 V HN 0.158 nan 8.190 nan 0.000 0.484 643 T N 6.863 121.439 114.554 0.036 0.000 2.728 643 T HA 0.456 4.811 4.350 0.009 0.000 0.296 643 T C -0.139 174.555 174.700 -0.010 0.000 0.940 643 T CA -0.205 61.909 62.100 0.024 0.000 1.013 643 T CB 0.080 68.966 68.868 0.030 0.000 0.912 643 T HN 0.341 nan 8.240 nan 0.000 0.484 644 L N 4.623 125.853 121.223 0.011 0.000 2.276 644 L HA 0.382 4.728 4.340 0.009 0.000 0.286 644 L C 1.042 177.918 176.870 0.009 0.000 1.061 644 L CA -0.467 54.385 54.840 0.020 0.000 0.807 644 L CB 0.986 43.092 42.059 0.078 0.000 1.177 644 L HN 0.619 nan 8.230 nan 0.000 0.429 645 L N 2.434 123.635 121.223 -0.036 0.000 2.425 645 L HA 0.261 4.607 4.340 0.009 0.000 0.215 645 L C 0.398 177.258 176.870 -0.016 0.000 1.065 645 L CA 0.260 55.064 54.840 -0.060 0.000 0.842 645 L CB 0.068 42.039 42.059 -0.147 0.000 1.033 645 L HN 0.542 nan 8.230 nan 0.000 0.474 646 R N 0.348 120.847 120.500 -0.001 0.000 2.522 646 R HA 0.613 4.959 4.340 0.009 0.000 0.283 646 R C -1.169 175.135 176.300 0.007 0.000 1.074 646 R CA -0.208 55.894 56.100 0.004 0.000 0.925 646 R CB 1.907 32.231 30.300 0.041 0.000 1.205 646 R HN -0.081 nan 8.270 nan 0.000 0.436 647 A N 2.607 125.484 122.820 0.094 0.000 3.448 647 A HA 0.289 4.614 4.320 0.009 0.000 0.232 647 A C -0.888 176.803 177.584 0.179 0.000 1.018 647 A CA -0.657 51.485 52.037 0.176 0.000 0.996 647 A CB 0.233 19.431 19.000 0.331 0.000 1.283 647 A HN 0.421 nan 8.150 nan 0.000 0.586 648 D N 0.012 120.477 120.400 0.108 0.000 2.264 648 D HA 0.500 5.145 4.640 0.009 0.000 0.249 648 D C 1.267 177.615 176.300 0.080 0.000 1.070 648 D CA 1.304 55.366 54.000 0.104 0.000 0.912 648 D CB 1.398 42.248 40.800 0.083 0.000 1.193 648 D HN 0.952 nan 8.370 nan 0.000 0.427 649 G N 0.709 109.548 108.800 0.065 0.000 2.160 649 G HA2 -0.096 3.870 3.960 0.009 0.000 0.251 649 G HA3 -0.096 3.870 3.960 0.009 0.000 0.251 649 G C 0.953 175.863 174.900 0.018 0.000 1.008 649 G CA 0.462 45.588 45.100 0.042 0.000 0.724 649 G HN 1.268 nan 8.290 nan 0.000 0.514 650 G N -1.499 107.286 108.800 -0.025 0.000 2.147 650 G HA2 0.070 4.035 3.960 0.009 0.000 0.244 650 G HA3 0.070 4.035 3.960 0.009 0.000 0.244 650 G C 0.226 175.134 174.900 0.015 0.000 1.005 650 G CA 1.573 46.599 45.100 -0.123 0.000 0.713 650 G HN 2.102 nan 8.290 nan 0.000 0.515 651 Q N -2.099 117.792 119.800 0.151 0.000 2.814 651 Q HA 0.751 5.097 4.340 0.009 0.000 0.322 651 Q C -1.270 174.899 176.000 0.282 0.000 0.888 651 Q CA -1.102 54.872 55.803 0.284 0.000 0.768 651 Q CB 1.847 30.677 28.738 0.153 0.000 1.443 651 Q HN 0.453 nan 8.270 nan 0.000 0.497 652 V N 1.305 121.326 119.914 0.178 0.000 2.459 652 V HA 0.179 4.305 4.120 0.009 0.000 0.295 652 V C -0.348 175.774 176.094 0.047 0.000 1.029 652 V CA -0.316 62.043 62.300 0.099 0.000 0.874 652 V CB 1.402 33.224 31.823 -0.002 0.000 0.985 652 V HN 0.799 nan 8.190 nan 0.000 0.438 653 Q N 2.854 122.563 119.800 -0.151 0.000 2.423 653 Q HA 0.421 4.767 4.340 0.009 0.000 0.231 653 Q C -0.344 175.338 176.000 -0.530 0.000 0.894 653 Q CA 0.282 55.753 55.803 -0.553 0.000 0.938 653 Q CB 0.821 28.726 28.738 -1.387 0.000 1.079 653 Q HN 0.558 nan 8.270 nan 0.000 0.552 654 L N -0.180 120.892 121.223 -0.251 0.000 2.543 654 L HA 0.813 5.158 4.340 0.009 0.000 0.265 654 L C -2.051 174.813 176.870 -0.010 0.000 0.945 654 L CA -0.548 54.233 54.840 -0.100 0.000 0.869 654 L CB 1.799 43.847 42.059 -0.018 0.000 1.294 654 L HN -0.022 nan 8.230 nan 0.000 0.405 655 A N 2.428 125.271 122.820 0.037 0.000 2.606 655 A HA 0.880 5.205 4.320 0.009 0.000 0.293 655 A C -1.133 176.466 177.584 0.024 0.000 1.082 655 A CA -0.205 51.843 52.037 0.019 0.000 0.685 655 A CB 2.004 21.030 19.000 0.043 0.000 1.284 655 A HN 0.673 nan 8.150 nan 0.000 0.408 656 T N -0.046 114.512 114.554 0.006 0.000 2.896 656 T HA 0.681 5.037 4.350 0.009 0.000 0.297 656 T C -1.505 173.256 174.700 0.102 0.000 1.108 656 T CA -0.505 61.640 62.100 0.075 0.000 1.004 656 T CB 1.343 70.272 68.868 0.101 0.000 1.159 656 T HN 0.964 nan 8.240 nan 0.000 0.499 657 N N 1.925 120.708 118.700 0.138 0.000 2.425 657 N HA 0.359 5.104 4.740 0.009 0.000 0.289 657 N C -1.839 173.767 175.510 0.160 0.000 1.074 657 N CA -0.507 52.623 53.050 0.132 0.000 0.905 657 N CB 1.554 40.109 38.487 0.113 0.000 1.586 657 N HN 0.460 nan 8.380 nan 0.000 0.490 658 D N 1.631 122.123 120.400 0.153 0.000 2.389 658 D HA 0.103 4.748 4.640 0.009 0.000 0.247 658 D C -0.929 175.495 176.300 0.206 0.000 1.128 658 D CA 0.804 54.896 54.000 0.154 0.000 0.884 658 D CB 0.514 41.385 40.800 0.118 0.000 1.194 658 D HN 0.450 nan 8.370 nan 0.000 0.441 659 Y N 1.623 121.946 120.300 0.040 0.000 2.541 659 Y HA 0.396 4.952 4.550 0.009 0.000 0.350 659 Y C 0.730 176.632 175.900 0.003 0.000 1.075 659 Y CA 0.190 58.303 58.100 0.021 0.000 1.302 659 Y CB 0.464 38.938 38.460 0.024 0.000 1.094 659 Y HN 0.652 nan 8.280 nan 0.000 0.579 660 G N 3.564 112.297 108.800 -0.112 0.000 2.556 660 G HA2 -0.440 3.526 3.960 0.009 0.000 0.283 660 G HA3 -0.440 3.526 3.960 0.009 0.000 0.283 660 G C 1.008 175.884 174.900 -0.040 0.000 1.177 660 G CA 0.605 45.644 45.100 -0.102 0.000 0.978 660 G HN 0.655 nan 8.290 nan 0.000 0.554 661 K N 0.884 121.245 120.400 -0.065 0.000 2.211 661 K HA 0.188 4.513 4.320 0.009 0.000 0.203 661 K C 1.750 178.314 176.600 -0.059 0.000 1.050 661 K CA 1.521 57.739 56.287 -0.115 0.000 0.945 661 K CB -0.623 31.793 32.500 -0.140 0.000 0.732 661 K HN 0.803 nan 8.250 nan 0.000 0.451 662 G N -0.138 108.675 108.800 0.022 0.000 2.583 662 G HA2 0.488 4.453 3.960 0.009 0.000 0.280 662 G HA3 0.488 4.453 3.960 0.009 0.000 0.280 662 G C -0.990 173.996 174.900 0.142 0.000 1.376 662 G CA -0.624 44.516 45.100 0.066 0.000 1.043 662 G HN 0.157 nan 8.290 nan 0.000 0.538 663 R N -1.947 118.602 120.500 0.083 0.000 2.668 663 R HA 0.550 4.895 4.340 0.009 0.000 0.272 663 R C -0.567 175.796 176.300 0.105 0.000 1.019 663 R CA -0.658 55.493 56.100 0.085 0.000 0.894 663 R CB 2.403 32.685 30.300 -0.030 0.000 1.228 663 R HN 0.773 nan 8.270 nan 0.000 0.460 664 G N 0.751 109.626 108.800 0.125 0.000 2.448 664 G HA2 0.611 4.577 3.960 0.009 0.000 0.324 664 G HA3 0.611 4.577 3.960 0.009 0.000 0.324 664 G C -1.266 173.724 174.900 0.150 0.000 1.203 664 G CA -0.406 44.786 45.100 0.153 0.000 0.954 664 G HN 0.271 nan 8.290 nan 0.000 0.480 665 V N 1.213 121.212 119.914 0.143 0.000 2.709 665 V HA 0.422 4.548 4.120 0.009 0.000 0.308 665 V C -1.418 174.742 176.094 0.111 0.000 1.062 665 V CA -0.844 61.524 62.300 0.112 0.000 0.901 665 V CB 1.774 33.647 31.823 0.083 0.000 1.003 665 V HN 0.756 nan 8.190 nan 0.000 0.425 666 Y N 5.462 125.757 120.300 -0.009 0.000 2.352 666 Y HA 0.787 5.343 4.550 0.010 0.000 0.339 666 Y C -0.561 175.314 175.900 -0.042 0.000 0.992 666 Y CA -0.934 57.146 58.100 -0.034 0.000 1.100 666 Y CB 1.440 39.886 38.460 -0.024 0.000 1.192 666 Y HN 0.538 nan 8.280 nan 0.000 0.458 667 I N 5.440 125.457 120.570 -0.923 0.000 2.499 667 I HA 0.198 4.373 4.170 0.009 0.000 0.288 667 I C 0.688 176.220 176.117 -0.974 0.000 1.048 667 I CA -0.559 60.333 61.300 -0.679 0.000 1.062 667 I CB 2.360 40.206 38.000 -0.257 0.000 1.238 667 I HN 0.771 nan 8.210 nan 0.000 0.426 668 S N 3.550 118.849 115.700 -0.669 0.000 2.402 668 S HA 0.181 4.656 4.470 0.009 0.000 0.229 668 S C 0.826 175.313 174.600 -0.188 0.000 1.021 668 S CA 0.561 58.572 58.200 -0.314 0.000 0.974 668 S CB 0.092 63.253 63.200 -0.066 0.000 0.800 668 S HN 0.914 nan 8.310 nan 0.000 0.484 669 G N -0.328 108.384 108.800 -0.146 0.000 2.547 669 G HA2 0.548 4.513 3.960 0.009 0.000 0.291 669 G HA3 0.548 4.513 3.960 0.009 0.000 0.291 669 G C -2.098 172.725 174.900 -0.128 0.000 1.471 669 G CA -0.824 44.130 45.100 -0.244 0.000 0.798 669 G HN 0.498 nan 8.290 nan 0.000 0.504 670 L N 1.186 122.260 121.223 -0.249 0.000 2.440 670 L HA 0.446 4.792 4.340 0.009 0.000 0.261 670 L C -2.549 174.223 176.870 -0.163 0.000 1.382 670 L CA -1.164 53.577 54.840 -0.165 0.000 0.871 670 L CB 1.951 43.945 42.059 -0.109 0.000 1.052 670 L HN 0.275 nan 8.230 nan 0.000 0.509 671 P HA -0.044 nan 4.420 nan 0.000 0.267 671 P C -1.236 176.088 177.300 0.041 0.000 1.200 671 P CA 0.253 63.344 63.100 -0.014 0.000 0.772 671 P CB 0.169 31.925 31.700 0.094 0.000 0.855 672 Y N 3.237 123.554 120.300 0.029 0.000 2.526 672 Y HA 0.334 4.888 4.550 0.006 0.000 0.330 672 Y C 0.312 176.212 175.900 0.001 0.000 1.156 672 Y CA 0.736 58.840 58.100 0.006 0.000 1.419 672 Y CB 0.186 38.660 38.460 0.024 0.000 1.250 672 Y HN 0.513 nan 8.280 nan 0.000 0.540 673 S N 3.382 118.561 115.700 -0.868 0.000 2.643 673 S HA 0.704 5.180 4.470 0.009 0.000 0.270 673 S C 0.363 174.477 174.600 -0.810 0.000 1.166 673 S CA -0.608 57.084 58.200 -0.845 0.000 0.815 673 S CB 0.880 63.859 63.200 -0.369 0.000 1.139 673 S HN 0.960 nan 8.310 nan 0.000 0.472 674 A N 1.205 123.729 122.820 -0.493 0.000 1.865 674 A HA 0.179 4.504 4.320 0.009 0.000 0.217 674 A C 2.375 179.838 177.584 -0.202 0.000 1.191 674 A CA 2.492 54.370 52.037 -0.264 0.000 0.623 674 A CB -1.777 17.136 19.000 -0.145 0.000 0.826 674 A HN 1.668 nan 8.150 nan 0.000 0.444 675 A N 0.016 122.716 122.820 -0.200 0.000 1.883 675 A HA -0.222 4.103 4.320 0.009 0.000 0.217 675 A C 1.892 179.371 177.584 -0.175 0.000 1.186 675 A CA 2.010 53.946 52.037 -0.169 0.000 0.624 675 A CB -0.661 18.237 19.000 -0.169 0.000 0.822 675 A HN 0.552 nan 8.150 nan 0.000 0.444 676 N N 0.057 118.629 118.700 -0.214 0.000 2.331 676 N HA 0.026 4.772 4.740 0.009 0.000 0.180 676 N C 1.703 177.151 175.510 -0.103 0.000 1.019 676 N CA 1.248 54.188 53.050 -0.183 0.000 0.881 676 N CB -0.458 37.908 38.487 -0.201 0.000 0.972 676 N HN 0.479 nan 8.380 nan 0.000 0.435 677 A N 0.806 123.569 122.820 -0.095 0.000 1.929 677 A HA -0.058 4.268 4.320 0.009 0.000 0.216 677 A C 2.261 179.863 177.584 0.029 0.000 1.176 677 A CA 1.122 53.172 52.037 0.022 0.000 0.628 677 A CB -0.270 18.790 19.000 0.101 0.000 0.816 677 A HN 0.100 nan 8.150 nan 0.000 0.444 678 R N -0.186 120.306 120.500 -0.013 0.000 2.075 678 R HA -0.064 4.281 4.340 0.009 0.000 0.232 678 R C 1.847 178.144 176.300 -0.006 0.000 1.126 678 R CA 1.704 57.808 56.100 0.007 0.000 0.963 678 R CB -1.089 29.191 30.300 -0.032 0.000 0.858 678 R HN 0.409 nan 8.270 nan 0.000 0.435 679 L N 0.085 121.277 121.223 -0.052 0.000 1.989 679 L HA -0.099 4.247 4.340 0.009 0.000 0.211 679 L C 2.079 178.954 176.870 0.007 0.000 1.071 679 L CA 1.720 56.526 54.840 -0.056 0.000 0.749 679 L CB -0.808 41.191 42.059 -0.100 0.000 0.890 679 L HN 0.355 nan 8.230 nan 0.000 0.431 680 L N -0.233 121.001 121.223 0.020 0.000 2.042 680 L HA -0.241 4.104 4.340 0.009 0.000 0.210 680 L C 2.468 179.412 176.870 0.122 0.000 1.076 680 L CA 2.180 57.051 54.840 0.053 0.000 0.749 680 L CB -0.835 41.249 42.059 0.041 0.000 0.893 680 L HN 0.543 nan 8.230 nan 0.000 0.432 681 E N -0.631 119.666 120.200 0.161 0.000 2.038 681 E HA -0.281 4.075 4.350 0.009 0.000 0.195 681 E C 2.343 179.211 176.600 0.446 0.000 1.000 681 E CA 1.522 58.104 56.400 0.304 0.000 0.803 681 E CB -0.120 29.766 29.700 0.311 0.000 0.750 681 E HN 0.468 nan 8.360 nan 0.000 0.448 682 R N -0.047 120.615 120.500 0.270 0.000 2.096 682 R HA -0.159 4.186 4.340 0.009 0.000 0.240 682 R C 2.495 179.047 176.300 0.420 0.000 1.139 682 R CA 1.538 57.777 56.100 0.232 0.000 0.952 682 R CB -0.518 29.665 30.300 -0.195 0.000 0.854 682 R HN 0.148 nan 8.270 nan 0.000 0.436 683 V N 1.716 121.780 119.914 0.250 0.000 2.324 683 V HA -0.272 3.854 4.120 0.009 0.000 0.250 683 V C 2.309 178.556 176.094 0.254 0.000 1.060 683 V CA 1.825 64.262 62.300 0.229 0.000 1.042 683 V CB -0.446 31.443 31.823 0.110 0.000 0.650 683 V HN 0.310 nan 8.190 nan 0.000 0.450 684 L N -1.903 119.454 121.223 0.224 0.000 2.093 684 L HA -0.117 4.228 4.340 0.009 0.000 0.208 684 L C 2.371 179.285 176.870 0.074 0.000 1.085 684 L CA 1.558 56.457 54.840 0.097 0.000 0.755 684 L CB -0.544 41.520 42.059 0.008 0.000 0.904 684 L HN 0.249 nan 8.230 nan 0.000 0.435 685 F N -1.382 118.703 119.950 0.225 0.000 2.206 685 F HA -0.208 4.324 4.527 0.008 0.000 0.298 685 F C 2.504 178.341 175.800 0.063 0.000 1.090 685 F CA 1.317 59.436 58.000 0.198 0.000 1.323 685 F CB -0.474 38.750 39.000 0.374 0.000 1.028 685 F HN -0.058 nan 8.300 nan 0.000 0.492 686 Y N 0.436 120.836 120.300 0.168 0.000 2.200 686 Y HA -0.130 4.426 4.550 0.010 0.000 0.290 686 Y C 2.330 178.160 175.900 -0.116 0.000 1.137 686 Y CA 1.262 59.310 58.100 -0.086 0.000 1.163 686 Y CB -0.510 37.998 38.460 0.081 0.000 0.988 686 Y HN -0.027 nan 8.280 nan 0.000 0.518 687 A N -0.538 122.331 122.820 0.081 0.000 1.969 687 A HA -0.132 4.193 4.320 0.009 0.000 0.218 687 A C 2.162 179.669 177.584 -0.129 0.000 1.169 687 A CA 1.603 53.626 52.037 -0.024 0.000 0.635 687 A CB -1.098 17.953 19.000 0.086 0.000 0.810 687 A HN 0.521 nan 8.150 nan 0.000 0.445 688 S N -1.890 113.757 115.700 -0.088 0.000 2.671 688 S HA 0.056 4.531 4.470 0.009 0.000 0.220 688 S C 0.451 175.037 174.600 -0.023 0.000 0.951 688 S CA 0.314 58.475 58.200 -0.065 0.000 0.932 688 S CB -0.671 62.491 63.200 -0.063 0.000 0.777 688 S HN 0.582 nan 8.310 nan 0.000 0.508 689 H N 0.604 119.554 119.070 -0.201 0.000 2.791 689 H HA -0.140 4.422 4.556 0.009 0.000 0.302 689 H C -0.467 174.782 175.328 -0.132 0.000 1.198 689 H CA 1.056 56.968 56.048 -0.226 0.000 1.145 689 H CB -2.075 27.575 29.762 -0.187 0.000 1.385 689 H HN 0.683 nan 8.280 nan 0.000 0.409 690 N N 0.129 118.829 118.700 -0.000 0.000 2.389 690 N HA 0.041 4.787 4.740 0.009 0.000 0.260 690 N C 0.996 176.613 175.510 0.178 0.000 1.191 690 N CA -0.198 52.925 53.050 0.122 0.000 0.885 690 N CB 0.522 39.113 38.487 0.173 0.000 1.162 690 N HN 0.295 nan 8.380 nan 0.000 0.512 691 E N 0.475 120.623 120.200 -0.087 0.000 2.171 691 E HA -0.200 4.156 4.350 0.009 0.000 0.197 691 E C 0.816 177.425 176.600 0.015 0.000 0.997 691 E CA 1.070 57.311 56.400 -0.264 0.000 0.810 691 E CB 0.069 29.402 29.700 -0.612 0.000 0.738 691 E HN 0.321 nan 8.360 nan 0.000 0.467 692 D N 0.066 120.489 120.400 0.039 0.000 2.269 692 D HA -0.065 4.580 4.640 0.009 0.000 0.208 692 D C 1.151 177.505 176.300 0.090 0.000 0.963 692 D CA 0.814 54.848 54.000 0.057 0.000 0.864 692 D CB 0.044 40.864 40.800 0.033 0.000 0.936 692 D HN 0.175 nan 8.370 nan 0.000 0.505 693 K N -0.604 119.898 120.400 0.171 0.000 2.393 693 K HA -0.016 4.309 4.320 0.009 0.000 0.193 693 K C 1.589 178.256 176.600 0.112 0.000 1.026 693 K CA -0.181 56.230 56.287 0.206 0.000 1.064 693 K CB 0.249 32.963 32.500 0.356 0.000 0.833 693 K HN 0.139 nan 8.250 nan 0.000 0.521 694 Y N 1.777 121.980 120.300 -0.160 0.000 2.114 694 Y HA -0.256 4.299 4.550 0.008 0.000 0.284 694 Y C 2.241 177.909 175.900 -0.387 0.000 1.143 694 Y CA 1.743 59.442 58.100 -0.669 0.000 1.135 694 Y CB -0.276 37.985 38.460 -0.332 0.000 0.980 694 Y HN 0.019 nan 8.280 nan 0.000 0.499 695 A N 1.288 123.982 122.820 -0.211 0.000 1.933 695 A HA 0.098 4.424 4.320 0.009 0.000 0.218 695 A C 1.602 178.954 177.584 -0.387 0.000 1.175 695 A CA 0.761 52.624 52.037 -0.289 0.000 0.628 695 A CB -1.600 17.352 19.000 -0.080 0.000 0.814 695 A HN 0.565 nan 8.150 nan 0.000 0.444 696 A N -1.596 121.014 122.820 -0.350 0.000 2.548 696 A HA 0.317 4.642 4.320 0.009 0.000 0.247 696 A C 0.132 177.441 177.584 -0.457 0.000 1.067 696 A CA 0.320 52.040 52.037 -0.529 0.000 0.757 696 A CB -1.271 17.479 19.000 -0.416 0.000 0.996 696 A HN 0.960 nan 8.150 nan 0.000 0.504 697 W N 0.823 121.935 121.300 -0.315 0.000 5.563 697 W HA -0.198 4.466 4.660 0.008 0.000 0.396 697 W C 0.679 177.013 176.519 -0.308 0.000 1.519 697 W CA 0.569 57.709 57.345 -0.342 0.000 0.953 697 W CB -2.068 27.221 29.460 -0.285 0.000 2.691 697 W HN 1.163 nan 8.180 nan 0.000 1.444 698 S N -1.221 114.346 115.700 -0.222 0.000 2.599 698 S HA 0.809 5.285 4.470 0.009 0.000 0.294 698 S C -0.476 174.012 174.600 -0.187 0.000 1.094 698 S CA -0.479 57.556 58.200 -0.274 0.000 0.931 698 S CB 2.252 65.113 63.200 -0.565 0.000 1.093 698 S HN 0.410 nan 8.310 nan 0.000 0.488 699 S N 0.940 116.554 115.700 -0.143 0.000 2.437 699 S HA 0.416 4.892 4.470 0.009 0.000 0.305 699 S C 1.300 175.866 174.600 -0.058 0.000 1.109 699 S CA -0.092 58.060 58.200 -0.080 0.000 1.099 699 S CB 0.759 63.918 63.200 -0.069 0.000 1.004 699 S HN 1.108 nan 8.310 nan 0.000 0.475 700 S N 4.274 119.957 115.700 -0.028 0.000 2.374 700 S HA -0.147 4.328 4.470 0.009 0.000 0.227 700 S C 0.871 175.467 174.600 -0.008 0.000 1.037 700 S CA 0.869 59.064 58.200 -0.009 0.000 1.024 700 S CB -0.698 62.503 63.200 0.001 0.000 0.861 700 S HN 0.752 nan 8.310 nan 0.000 0.456 701 N N 3.031 121.726 118.700 -0.007 0.000 2.411 701 N HA 0.262 5.007 4.740 0.009 0.000 0.259 701 N C -2.140 173.358 175.510 -0.021 0.000 1.103 701 N CA -2.244 50.799 53.050 -0.012 0.000 0.954 701 N CB 1.376 39.862 38.487 -0.001 0.000 1.085 701 N HN 0.033 nan 8.380 nan 0.000 0.485 702 P HA -0.072 nan 4.420 nan 0.000 0.225 702 P C 0.339 177.619 177.300 -0.034 0.000 1.148 702 P CA 1.007 64.088 63.100 -0.032 0.000 0.779 702 P CB 0.434 32.104 31.700 -0.050 0.000 0.780 703 E N -1.233 118.949 120.200 -0.031 0.000 2.481 703 E HA -0.001 4.354 4.350 0.009 0.000 0.195 703 E C 0.552 177.139 176.600 -0.021 0.000 1.047 703 E CA 0.375 56.760 56.400 -0.025 0.000 0.867 703 E CB -0.293 29.395 29.700 -0.019 0.000 0.858 703 E HN 0.301 nan 8.360 nan 0.000 0.513 704 C N 0.484 119.766 119.300 -0.029 0.000 2.595 704 C HA 0.595 5.060 4.460 0.009 0.000 0.338 704 C C 0.369 175.327 174.990 -0.053 0.000 1.219 704 C CA -0.853 58.137 59.018 -0.047 0.000 1.811 704 C CB 1.682 29.386 27.740 -0.061 0.000 2.313 704 C HN 0.176 nan 8.230 nan 0.000 0.499 705 E N -0.255 119.902 120.200 -0.072 0.000 2.393 705 E HA 0.664 5.019 4.350 0.009 0.000 0.273 705 E C -1.634 174.914 176.600 -0.087 0.000 0.918 705 E CA -0.546 55.816 56.400 -0.065 0.000 0.773 705 E CB 2.287 31.960 29.700 -0.044 0.000 1.275 705 E HN 0.388 nan 8.360 nan 0.000 0.451 706 V N 1.035 120.911 119.914 -0.064 0.000 2.555 706 V HA 0.733 4.858 4.120 0.009 0.000 0.302 706 V C -0.773 175.293 176.094 -0.048 0.000 1.038 706 V CA -0.606 61.670 62.300 -0.040 0.000 0.887 706 V CB 1.551 33.371 31.823 -0.004 0.000 0.991 706 V HN 0.744 nan 8.190 nan 0.000 0.434 707 A N 3.088 125.872 122.820 -0.061 0.000 2.343 707 A HA 0.655 4.980 4.320 0.009 0.000 0.308 707 A C -0.829 176.598 177.584 -0.262 0.000 1.092 707 A CA -0.521 51.400 52.037 -0.194 0.000 0.751 707 A CB 0.761 19.670 19.000 -0.152 0.000 1.203 707 A HN 0.994 nan 8.150 nan 0.000 0.452 708 H N 2.281 120.965 119.070 -0.644 0.000 2.459 708 H HA 0.588 5.149 4.556 0.009 0.000 0.332 708 H C -1.748 173.076 175.328 -0.839 0.000 1.094 708 H CA -0.666 54.942 56.048 -0.734 0.000 1.224 708 H CB 0.752 29.810 29.762 -1.173 0.000 1.449 708 H HN 0.520 nan 8.280 nan 0.000 0.484 709 F N 7.306 127.021 119.950 -0.392 0.000 2.453 709 F HA 0.237 4.769 4.527 0.008 0.000 0.358 709 F C -1.698 173.850 175.800 -0.420 0.000 1.129 709 F CA -2.032 55.773 58.000 -0.326 0.000 1.200 709 F CB 1.299 40.258 39.000 -0.068 0.000 1.431 709 F HN 0.520 nan 8.300 nan 0.000 0.503 710 P HA -0.207 nan 4.420 nan 0.000 0.216 710 P C 0.918 178.172 177.300 -0.075 0.000 1.150 710 P CA 1.669 64.558 63.100 -0.351 0.000 0.837 710 P CB 0.373 31.874 31.700 -0.331 0.000 0.786 711 E N -0.551 119.621 120.200 -0.047 0.000 2.347 711 E HA -0.123 4.232 4.350 0.009 0.000 0.196 711 E C 1.660 178.272 176.600 0.021 0.000 1.008 711 E CA 0.690 57.092 56.400 0.003 0.000 0.852 711 E CB -0.155 29.548 29.700 0.005 0.000 0.783 711 E HN 0.319 nan 8.360 nan 0.000 0.505 712 Q N -0.668 119.157 119.800 0.041 0.000 2.356 712 Q HA 0.148 4.493 4.340 0.009 0.000 0.205 712 Q C 0.821 176.852 176.000 0.052 0.000 0.901 712 Q CA 0.533 56.351 55.803 0.026 0.000 0.938 712 Q CB 1.047 29.776 28.738 -0.014 0.000 1.081 712 Q HN 0.317 nan 8.270 nan 0.000 0.517 713 G N 0.857 109.708 108.800 0.086 0.000 2.246 713 G HA2 -0.196 3.770 3.960 0.009 0.000 0.273 713 G HA3 -0.196 3.770 3.960 0.009 0.000 0.273 713 G C -0.496 174.514 174.900 0.182 0.000 1.055 713 G CA 0.664 45.842 45.100 0.130 0.000 0.851 713 G HN 0.246 nan 8.290 nan 0.000 0.500 714 L N -2.981 118.385 121.223 0.238 0.000 2.491 714 L HA 0.984 5.329 4.340 0.009 0.000 0.254 714 L C -0.433 176.725 176.870 0.481 0.000 1.048 714 L CA -2.679 52.356 54.840 0.325 0.000 0.855 714 L CB 0.841 43.070 42.059 0.284 0.000 1.466 714 L HN 0.656 nan 8.230 nan 0.000 0.409 715 Y N -0.995 119.517 120.300 0.354 0.000 2.609 715 Y HA 0.910 5.465 4.550 0.008 0.000 0.342 715 Y C -0.367 175.606 175.900 0.121 0.000 1.058 715 Y CA -1.278 56.973 58.100 0.252 0.000 1.055 715 Y CB 1.438 39.958 38.460 0.100 0.000 1.292 715 Y HN 1.115 nan 8.280 nan 0.000 0.476 716 C N 1.328 120.579 119.300 -0.082 0.000 2.848 716 C HA 0.925 5.390 4.460 0.009 0.000 0.317 716 C C -1.021 173.789 174.990 -0.301 0.000 1.260 716 C CA -1.077 57.576 59.018 -0.609 0.000 1.656 716 C CB 1.274 28.035 27.740 -1.631 0.000 2.174 716 C HN 1.111 nan 8.230 nan 0.000 0.479 717 V N 3.021 122.663 119.914 -0.453 0.000 2.638 717 V HA 0.750 4.876 4.120 0.009 0.000 0.306 717 V C -0.496 175.400 176.094 -0.330 0.000 1.052 717 V CA -0.486 61.592 62.300 -0.371 0.000 0.885 717 V CB 1.560 33.024 31.823 -0.599 0.000 0.999 717 V HN 1.046 nan 8.190 nan 0.000 0.424 718 I N 3.249 123.687 120.570 -0.220 0.000 2.603 718 I HA 0.673 4.849 4.170 0.009 0.000 0.300 718 I C -0.662 175.396 176.117 -0.099 0.000 1.017 718 I CA -0.744 60.464 61.300 -0.153 0.000 1.098 718 I CB 2.122 40.036 38.000 -0.143 0.000 1.279 718 I HN 0.581 nan 8.210 nan 0.000 0.437 719 N N 3.681 122.349 118.700 -0.053 0.000 2.457 719 N HA 0.284 5.029 4.740 0.009 0.000 0.250 719 N C -0.355 175.148 175.510 -0.012 0.000 0.982 719 N CA -0.373 52.664 53.050 -0.021 0.000 0.941 719 N CB 0.655 39.147 38.487 0.009 0.000 1.120 719 N HN 0.758 nan 8.380 nan 0.000 0.505 720 N N 0.908 119.600 118.700 -0.014 0.000 2.461 720 N HA -0.028 4.718 4.740 0.009 0.000 0.188 720 N C -0.102 175.421 175.510 0.022 0.000 1.134 720 N CA 0.270 53.318 53.050 -0.003 0.000 0.878 720 N CB 0.308 38.803 38.487 0.012 0.000 0.972 720 N HN 0.666 nan 8.380 nan 0.000 0.456 721 T N -2.194 112.374 114.554 0.024 0.000 2.940 721 T HA 0.199 4.554 4.350 0.009 0.000 0.288 721 T C 0.141 174.867 174.700 0.044 0.000 1.045 721 T CA -0.920 61.200 62.100 0.032 0.000 1.018 721 T CB 1.677 70.557 68.868 0.020 0.000 1.151 721 T HN -0.024 nan 8.240 nan 0.000 0.529 722 D N -0.414 120.013 120.400 0.045 0.000 2.336 722 D HA 0.123 4.769 4.640 0.009 0.000 0.228 722 D C 0.155 176.477 176.300 0.036 0.000 1.120 722 D CA -0.132 53.897 54.000 0.048 0.000 0.839 722 D CB 0.046 40.877 40.800 0.052 0.000 0.932 722 D HN 0.325 nan 8.370 nan 0.000 0.509 723 Q N 0.854 120.672 119.800 0.030 0.000 2.297 723 Q HA 0.422 4.767 4.340 0.009 0.000 0.268 723 Q C -2.551 173.466 176.000 0.028 0.000 1.045 723 Q CA -2.327 53.491 55.803 0.025 0.000 0.861 723 Q CB 1.586 30.334 28.738 0.018 0.000 1.344 723 Q HN 0.084 nan 8.270 nan 0.000 0.452 724 P HA 0.045 nan 4.420 nan 0.000 0.269 724 P C -0.695 176.624 177.300 0.031 0.000 1.209 724 P CA 0.035 63.155 63.100 0.034 0.000 0.776 724 P CB 0.708 32.428 31.700 0.033 0.000 0.876 725 Q N 1.431 121.254 119.800 0.038 0.000 2.271 725 Q HA 0.326 4.671 4.340 0.009 0.000 0.268 725 Q C -0.527 175.506 176.000 0.054 0.000 1.021 725 Q CA -0.534 55.290 55.803 0.035 0.000 0.802 725 Q CB 2.691 31.442 28.738 0.023 0.000 1.282 725 Q HN 0.401 nan 8.270 nan 0.000 0.431 726 K N 1.009 121.440 120.400 0.052 0.000 2.172 726 K HA 0.659 4.984 4.320 0.009 0.000 0.276 726 K C -0.170 176.475 176.600 0.075 0.000 1.013 726 K CA -0.261 56.070 56.287 0.074 0.000 0.913 726 K CB 1.531 34.064 32.500 0.055 0.000 1.055 726 K HN 0.438 nan 8.250 nan 0.000 0.461 727 T N 0.721 115.349 114.554 0.122 0.000 2.894 727 T HA 0.282 4.638 4.350 0.009 0.000 0.309 727 T C -1.330 173.479 174.700 0.182 0.000 1.208 727 T CA -0.564 61.602 62.100 0.111 0.000 1.016 727 T CB 1.598 70.502 68.868 0.061 0.000 1.192 727 T HN 0.436 nan 8.240 nan 0.000 0.491 728 T N 2.874 117.500 114.554 0.120 0.000 2.756 728 T HA 0.548 4.903 4.350 0.009 0.000 0.290 728 T C -0.309 174.454 174.700 0.106 0.000 0.985 728 T CA -0.416 61.761 62.100 0.128 0.000 0.955 728 T CB 1.003 69.902 68.868 0.052 0.000 0.930 728 T HN 0.454 nan 8.240 nan 0.000 0.451 729 V N 4.125 124.157 119.914 0.197 0.000 2.465 729 V HA 0.351 4.476 4.120 0.009 0.000 0.279 729 V C 0.607 176.671 176.094 -0.050 0.000 1.045 729 V CA -0.498 61.847 62.300 0.074 0.000 0.938 729 V CB 1.553 33.483 31.823 0.179 0.000 0.986 729 V HN 0.908 nan 8.190 nan 0.000 0.467 730 T N 6.768 121.209 114.554 -0.189 0.000 2.749 730 T HA 0.579 4.934 4.350 0.009 0.000 0.287 730 T C -0.151 174.214 174.700 -0.558 0.000 0.970 730 T CA -0.266 61.660 62.100 -0.289 0.000 0.980 730 T CB 0.819 69.536 68.868 -0.251 0.000 0.924 730 T HN 0.241 nan 8.240 nan 0.000 0.456 731 L N 2.008 122.853 121.223 -0.631 0.000 2.454 731 L HA 0.510 4.856 4.340 0.009 0.000 0.256 731 L C 1.902 178.114 176.870 -1.097 0.000 1.136 731 L CA -0.134 54.013 54.840 -1.155 0.000 0.804 731 L CB 0.055 41.697 42.059 -0.695 0.000 1.181 731 L HN 0.721 nan 8.230 nan 0.000 0.469 732 A N 0.450 122.435 122.820 -1.392 0.000 1.940 732 A HA -0.191 4.135 4.320 0.009 0.000 0.219 732 A C 1.487 178.862 177.584 -0.347 0.000 1.176 732 A CA 1.710 53.309 52.037 -0.730 0.000 0.631 732 A CB -0.877 17.942 19.000 -0.302 0.000 0.814 732 A HN 0.912 nan 8.150 nan 0.000 0.446 733 D N -1.777 118.461 120.400 -0.269 0.000 2.371 733 D HA 0.240 4.885 4.640 0.009 0.000 0.234 733 D C 1.188 177.400 176.300 -0.147 0.000 1.049 733 D CA 0.987 54.901 54.000 -0.143 0.000 0.907 733 D CB -0.788 39.966 40.800 -0.077 0.000 0.891 733 D HN 0.826 nan 8.370 nan 0.000 0.531 734 G N 0.047 108.719 108.800 -0.213 0.000 2.179 734 G HA2 -0.302 3.663 3.960 0.009 0.000 0.260 734 G HA3 -0.302 3.663 3.960 0.009 0.000 0.260 734 G C 0.561 175.377 174.900 -0.140 0.000 0.977 734 G CA 0.697 45.697 45.100 -0.166 0.000 0.641 734 G HN 0.826 nan 8.290 nan 0.000 0.533 735 T N -0.488 113.982 114.554 -0.140 0.000 2.868 735 T HA 0.622 4.977 4.350 0.009 0.000 0.292 735 T C 0.444 175.074 174.700 -0.117 0.000 1.028 735 T CA 0.840 62.881 62.100 -0.098 0.000 1.059 735 T CB 1.828 70.660 68.868 -0.060 0.000 0.991 735 T HN 1.431 nan 8.240 nan 0.000 0.531 736 T N -1.227 113.287 114.554 -0.066 0.000 2.916 736 T HA 0.686 5.041 4.350 0.009 0.000 0.292 736 T C -1.052 173.648 174.700 0.000 0.000 1.064 736 T CA -0.976 61.099 62.100 -0.043 0.000 1.011 736 T CB 2.103 70.950 68.868 -0.036 0.000 1.152 736 T HN 0.943 nan 8.240 nan 0.000 0.510 737 E N 0.405 120.636 120.200 0.051 0.000 2.308 737 E HA 0.402 4.757 4.350 0.009 0.000 0.275 737 E C -1.615 174.954 176.600 -0.052 0.000 0.890 737 E CA -0.746 55.637 56.400 -0.028 0.000 0.754 737 E CB 1.514 31.195 29.700 -0.032 0.000 1.207 737 E HN 0.632 nan 8.360 nan 0.000 0.426 738 D N 3.168 123.462 120.400 -0.177 0.000 2.210 738 D HA 0.325 4.971 4.640 0.009 0.000 0.249 738 D C -0.880 175.241 176.300 -0.299 0.000 1.078 738 D CA 0.237 54.182 54.000 -0.092 0.000 0.875 738 D CB 0.599 41.368 40.800 -0.051 0.000 1.175 738 D HN 0.245 nan 8.370 nan 0.000 0.440 739 F N 0.473 120.447 119.950 0.040 0.000 2.551 739 F HA 0.205 4.738 4.527 0.009 0.000 0.316 739 F C 0.367 176.185 175.800 0.030 0.000 1.089 739 F CA -1.002 57.022 58.000 0.041 0.000 0.915 739 F CB 1.846 40.874 39.000 0.048 0.000 1.186 739 F HN 0.012 nan 8.300 nan 0.000 0.456 740 D N 3.821 124.334 120.400 0.189 0.000 2.464 740 D HA 0.330 4.975 4.640 0.009 0.000 0.243 740 D C -1.047 175.334 176.300 0.135 0.000 1.104 740 D CA -0.114 53.962 54.000 0.127 0.000 0.883 740 D CB 0.565 41.410 40.800 0.074 0.000 1.050 740 D HN 0.407 nan 8.370 nan 0.000 0.524 741 L N 4.698 125.997 121.223 0.127 0.000 2.292 741 L HA 0.423 4.768 4.340 0.009 0.000 0.284 741 L C -1.877 175.039 176.870 0.076 0.000 1.065 741 L CA -1.701 53.200 54.840 0.102 0.000 0.806 741 L CB 1.351 43.449 42.059 0.066 0.000 1.175 741 L HN 0.217 nan 8.230 nan 0.000 0.431 742 P HA 0.016 nan 4.420 nan 0.000 0.274 742 P C -0.876 176.460 177.300 0.060 0.000 1.246 742 P CA -0.584 62.553 63.100 0.063 0.000 0.795 742 P CB 0.382 32.122 31.700 0.067 0.000 1.006 743 D N 1.027 121.456 120.400 0.048 0.000 2.923 743 D HA -0.156 4.489 4.640 0.009 0.000 0.220 743 D C -0.051 176.291 176.300 0.069 0.000 1.099 743 D CA 1.326 55.354 54.000 0.047 0.000 0.807 743 D CB -0.489 40.331 40.800 0.032 0.000 1.155 743 D HN 0.374 nan 8.370 nan 0.000 0.524 744 S N 0.921 116.670 115.700 0.082 0.000 3.358 744 S HA -0.162 4.313 4.470 0.009 0.000 0.309 744 S C 0.893 175.589 174.600 0.159 0.000 1.247 744 S CA 0.825 59.099 58.200 0.123 0.000 0.961 744 S CB -1.766 61.541 63.200 0.179 0.000 1.074 744 S HN 0.906 nan 8.310 nan 0.000 0.625 745 G N -0.002 108.870 108.800 0.119 0.000 2.621 745 G HA2 0.654 4.619 3.960 0.009 0.000 0.271 745 G HA3 0.654 4.619 3.960 0.009 0.000 0.271 745 G C -0.384 174.565 174.900 0.083 0.000 1.236 745 G CA -0.249 44.932 45.100 0.136 0.000 0.958 745 G HN 0.610 nan 8.290 nan 0.000 0.512 746 I N -1.119 119.496 120.570 0.076 0.000 2.752 746 I HA 0.653 4.828 4.170 0.009 0.000 0.295 746 I C -0.765 175.324 176.117 -0.046 0.000 1.219 746 I CA -0.963 60.312 61.300 -0.042 0.000 1.030 746 I CB 2.088 40.081 38.000 -0.011 0.000 1.259 746 I HN 0.746 nan 8.210 nan 0.000 0.423 747 A N 5.600 128.295 122.820 -0.207 0.000 2.414 747 A HA 0.764 5.089 4.320 0.009 0.000 0.306 747 A C -2.302 175.101 177.584 -0.301 0.000 1.054 747 A CA -0.360 51.630 52.037 -0.078 0.000 0.724 747 A CB 0.963 20.041 19.000 0.130 0.000 1.267 747 A HN 0.701 nan 8.150 nan 0.000 0.418 748 W N 1.636 122.928 121.300 -0.012 0.000 2.632 748 W HA 0.750 5.416 4.660 0.010 0.000 0.328 748 W C 0.244 176.692 176.519 -0.119 0.000 1.044 748 W CA -0.309 56.978 57.345 -0.097 0.000 1.225 748 W CB 1.709 31.130 29.460 -0.065 0.000 1.396 748 W HN 0.529 nan 8.180 nan 0.000 0.499 749 R N 1.302 121.747 120.500 -0.092 0.000 2.771 749 R HA 0.247 4.592 4.340 0.009 0.000 0.274 749 R C -0.458 175.824 176.300 -0.030 0.000 0.987 749 R CA -1.273 54.760 56.100 -0.111 0.000 0.908 749 R CB 1.745 31.906 30.300 -0.232 0.000 1.213 749 R HN 0.779 nan 8.270 nan 0.000 0.468 750 E N 0.945 121.207 120.200 0.104 0.000 2.392 750 E HA 0.513 4.868 4.350 0.009 0.000 0.264 750 E C -0.725 176.064 176.600 0.316 0.000 1.024 750 E CA -0.520 55.986 56.400 0.176 0.000 0.903 750 E CB 0.977 30.762 29.700 0.142 0.000 0.963 750 E HN 0.554 nan 8.360 nan 0.000 0.432 751 A N 3.041 126.074 122.820 0.356 0.000 2.387 751 A HA 0.462 4.787 4.320 0.009 0.000 0.303 751 A C -0.868 176.906 177.584 0.316 0.000 1.145 751 A CA -0.970 51.339 52.037 0.453 0.000 0.801 751 A CB 0.875 20.203 19.000 0.548 0.000 1.342 751 A HN 0.522 nan 8.150 nan 0.000 0.440 752 L N 1.360 122.773 121.223 0.317 0.000 2.540 752 L HA 0.130 4.475 4.340 0.009 0.000 0.276 752 L C 0.849 177.840 176.870 0.201 0.000 1.212 752 L CA 0.916 55.894 54.840 0.229 0.000 0.893 752 L CB -0.265 41.925 42.059 0.218 0.000 1.138 752 L HN 0.907 nan 8.230 nan 0.000 0.491 753 E N 0.000 120.284 120.200 0.140 0.000 2.725 753 E HA 0.000 4.355 4.350 0.009 0.000 0.291 753 E CA 0.000 56.461 56.400 0.102 0.000 0.976 753 E CB 0.000 29.747 29.700 0.078 0.000 0.812 753 E HN 0.000 nan 8.360 nan 0.000 0.440