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 2wco_1_A DATA FIRST_RESID 24 DATA SEQUENCE ADPYDALRRR WLGITLGTGY DPAAEPYASR LAETGERARE HRATMAPTPT DATA SEQUENCE SLWPGHPFDP PAGITFAYGR LWTMTEAYVQ EGTGATGDPA LLADILRGLD DATA SEQUENCE HLSATVYHPA TTRYGNWWEW QIGSPRLLMD ITAALYDHLG ADRVAAACAA DATA SEQUENCE VDHFVPDAML GAYTGTSTGA NRVDLCRSVA LRGVLGRAPA KIALARDALS DATA SEQUENCE PVFPYVTKGD GLYADGSFVQ HTWVAYSGTY GQVMLDGLGR LFTLLAGSEW DATA SEQUENCE EVTDPGRQLV LDSVEHAYAP LIHDGLVMDT VNGRAISRGY LKSDDLHVMR DATA SEQUENCE SDHFHGQQLI AAMAVLAGGA SNAERERWHA RIKGWIERDT VTPVLTAPQF DATA SEQUENCE PVADLTRLHA IADAPGEAAP EPVGHHLFAA MDRAVHRRPA FTAGLAMASD DATA SEQUENCE RIAHYECGNG ENPRGWHTGA GMLTWWANGT RADQYTDWFW PTVDWYRLPG DATA SEQUENCE TTVSTKRLAD RAGGEWGAPK PDVRWVGGAT DGEYAAVGQH LKGLGSTLEA DATA SEQUENCE RKSWFFLDDA VVCLGAGITC ADGVPVETVV DNRNLGEGGT QALVRGRHWA DATA SEQUENCE HLEGHGGWIV PGGALRTLRE DRTGAWSDIN TTSTTERRTR RWQTLWLDHG DATA SEQUENCE TDPAGADYVY TVMPGASRAA LARRAADRHW LTVLANDDRR QAVSVPSLGL DATA SEQUENCE TAANFWQAGT AGPLTTTAGA SVLVRRRGRT ATLRVSEPPR TGEALEIVWD DATA SEQUENCE HPVGAVLRAD ETVEILATGR RLHLRVTPGV VCTTHECEVT LS 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.695 177.584 0.185 0.000 1.274 24 A CA 0.000 52.169 52.037 0.220 0.000 0.836 24 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 25 D N 1.197 121.652 120.400 0.093 0.000 2.178 25 D HA -0.090 4.544 4.640 -0.010 0.000 0.201 25 D C -0.368 175.933 176.300 0.000 0.000 0.980 25 D CA 2.093 56.120 54.000 0.045 0.000 0.842 25 D CB -1.020 39.798 40.800 0.030 0.000 0.948 25 D HN 0.328 nan 8.370 nan 0.000 0.472 26 P HA -0.106 nan 4.420 nan 0.000 0.220 26 P C 1.290 178.500 177.300 -0.149 0.000 1.152 26 P CA 0.961 63.971 63.100 -0.149 0.000 0.812 26 P CB -0.403 31.138 31.700 -0.265 0.000 0.792 27 Y N 1.030 121.388 120.300 0.097 0.000 2.220 27 Y HA -0.110 4.434 4.550 -0.010 0.000 0.291 27 Y C 2.358 178.234 175.900 -0.040 0.000 1.129 27 Y CA 1.248 59.357 58.100 0.015 0.000 1.161 27 Y CB -1.531 36.921 38.460 -0.012 0.000 0.997 27 Y HN -0.064 nan 8.280 nan 0.000 0.522 28 D N 0.041 120.501 120.400 0.101 0.000 2.117 28 D HA -0.158 4.476 4.640 -0.010 0.000 0.197 28 D C 2.291 178.607 176.300 0.027 0.000 0.987 28 D CA 1.437 55.450 54.000 0.022 0.000 0.829 28 D CB -0.537 40.288 40.800 0.043 0.000 0.961 28 D HN 0.339 nan 8.370 nan 0.000 0.460 29 A N 0.841 123.683 122.820 0.037 0.000 1.908 29 A HA -0.139 4.175 4.320 -0.010 0.000 0.218 29 A C 2.412 180.036 177.584 0.066 0.000 1.181 29 A CA 0.957 53.020 52.037 0.043 0.000 0.627 29 A CB -0.811 18.208 19.000 0.031 0.000 0.818 29 A HN 0.198 nan 8.150 nan 0.000 0.445 30 L N -1.236 120.031 121.223 0.073 0.000 2.046 30 L HA -0.171 4.163 4.340 -0.010 0.000 0.208 30 L C 2.801 179.740 176.870 0.115 0.000 1.077 30 L CA 1.741 56.641 54.840 0.101 0.000 0.747 30 L CB -0.405 41.707 42.059 0.088 0.000 0.896 30 L HN 0.474 nan 8.230 nan 0.000 0.432 31 R N 0.195 120.731 120.500 0.060 0.000 2.081 31 R HA -0.147 4.187 4.340 -0.010 0.000 0.235 31 R C 2.468 178.847 176.300 0.131 0.000 1.131 31 R CA 1.317 57.453 56.100 0.060 0.000 0.960 31 R CB -0.045 30.198 30.300 -0.095 0.000 0.856 31 R HN 0.248 nan 8.270 nan 0.000 0.436 32 R N -0.211 120.344 120.500 0.091 0.000 2.081 32 R HA -0.127 4.207 4.340 -0.010 0.000 0.235 32 R C 2.509 178.879 176.300 0.116 0.000 1.131 32 R CA 1.646 57.804 56.100 0.096 0.000 0.960 32 R CB -0.335 30.004 30.300 0.065 0.000 0.856 32 R HN 0.218 nan 8.270 nan 0.000 0.436 33 R N 0.425 121.004 120.500 0.131 0.000 2.083 33 R HA -0.196 4.138 4.340 -0.010 0.000 0.237 33 R C 2.111 178.520 176.300 0.181 0.000 1.137 33 R CA 1.669 57.851 56.100 0.137 0.000 0.951 33 R CB -0.375 30.014 30.300 0.148 0.000 0.851 33 R HN 0.420 nan 8.270 nan 0.000 0.434 34 W N 1.188 122.508 121.300 0.033 0.000 2.335 34 W HA -0.241 4.413 4.660 -0.010 0.000 0.311 34 W C 1.486 178.037 176.519 0.052 0.000 1.213 34 W CA 1.320 58.683 57.345 0.031 0.000 1.274 34 W CB -0.233 29.235 29.460 0.013 0.000 1.148 34 W HN 0.194 nan 8.180 nan 0.000 0.498 35 L N 0.457 121.764 121.223 0.139 0.000 2.083 35 L HA -0.142 4.192 4.340 -0.010 0.000 0.209 35 L C 2.804 179.670 176.870 -0.006 0.000 1.083 35 L CA 1.439 56.318 54.840 0.064 0.000 0.752 35 L CB -1.501 40.648 42.059 0.149 0.000 0.899 35 L HN 0.037 nan 8.230 nan 0.000 0.433 36 G N 0.450 109.252 108.800 0.004 0.000 2.440 36 G HA2 -0.234 3.720 3.960 -0.010 0.000 0.218 36 G HA3 -0.234 3.720 3.960 -0.010 0.000 0.218 36 G C 1.572 176.430 174.900 -0.070 0.000 1.154 36 G CA 0.776 45.870 45.100 -0.010 0.000 0.767 36 G HN 0.315 nan 8.290 nan 0.000 0.552 37 I N 0.555 121.028 120.570 -0.161 0.000 2.286 37 I HA -0.105 4.059 4.170 -0.010 0.000 0.245 37 I C 2.879 178.804 176.117 -0.318 0.000 1.104 37 I CA 1.349 62.495 61.300 -0.255 0.000 1.397 37 I CB -0.276 37.490 38.000 -0.390 0.000 1.072 37 I HN 0.082 nan 8.210 nan 0.000 0.417 38 T N 0.682 114.992 114.554 -0.407 0.000 2.894 38 T HA 0.076 4.420 4.350 -0.010 0.000 0.258 38 T C 1.744 176.425 174.700 -0.032 0.000 1.043 38 T CA 1.057 62.974 62.100 -0.306 0.000 1.141 38 T CB 0.016 68.643 68.868 -0.402 0.000 0.873 38 T HN 0.208 nan 8.240 nan 0.000 0.449 39 L N -0.099 121.131 121.223 0.011 0.000 2.638 39 L HA 0.415 4.749 4.340 -0.010 0.000 0.232 39 L C 1.110 178.017 176.870 0.062 0.000 1.099 39 L CA -0.221 54.663 54.840 0.072 0.000 0.883 39 L CB 0.043 42.164 42.059 0.104 0.000 1.136 39 L HN 0.424 nan 8.230 nan 0.000 0.492 40 G N 0.234 109.053 108.800 0.032 0.000 2.690 40 G HA2 -0.113 3.841 3.960 -0.010 0.000 0.686 40 G HA3 -0.113 3.841 3.960 -0.010 0.000 0.686 40 G C -0.605 174.388 174.900 0.154 0.000 1.277 40 G CA -0.296 44.836 45.100 0.054 0.000 0.799 40 G HN -0.012 nan 8.290 nan 0.000 0.613 41 T N -0.784 113.850 114.554 0.134 0.000 2.900 41 T HA 0.765 5.109 4.350 -0.010 0.000 0.303 41 T C 0.923 175.663 174.700 0.068 0.000 1.142 41 T CA 1.502 63.649 62.100 0.078 0.000 1.007 41 T CB 1.006 69.887 68.868 0.022 0.000 1.156 41 T HN 2.745 nan 8.240 nan 0.000 0.490 42 G N 2.638 111.405 108.800 -0.056 0.000 2.256 42 G HA2 -0.170 3.784 3.960 -0.010 0.000 0.272 42 G HA3 -0.170 3.784 3.960 -0.010 0.000 0.272 42 G C -0.385 174.478 174.900 -0.061 0.000 1.076 42 G CA 0.829 45.885 45.100 -0.073 0.000 0.882 42 G HN 1.257 nan 8.290 nan 0.000 0.497 43 Y N -1.930 118.213 120.300 -0.261 0.000 2.602 43 Y HA 0.787 5.330 4.550 -0.011 0.000 0.342 43 Y C -0.423 175.284 175.900 -0.320 0.000 1.029 43 Y CA -2.054 55.782 58.100 -0.439 0.000 1.080 43 Y CB 1.563 39.433 38.460 -0.983 0.000 1.284 43 Y HN 0.045 nan 8.280 nan 0.000 0.485 44 D N 2.811 123.122 120.400 -0.148 0.000 2.396 44 D HA 0.355 4.989 4.640 -0.010 0.000 0.225 44 D C -2.050 174.298 176.300 0.080 0.000 1.121 44 D CA -2.852 51.097 54.000 -0.085 0.000 0.853 44 D CB 1.640 42.448 40.800 0.013 0.000 1.043 44 D HN 0.340 nan 8.370 nan 0.000 0.500 45 P HA -0.035 nan 4.420 nan 0.000 0.225 45 P C 0.675 178.064 177.300 0.148 0.000 1.148 45 P CA 0.656 63.855 63.100 0.167 0.000 0.779 45 P CB 0.263 31.989 31.700 0.043 0.000 0.780 46 A N -1.132 121.740 122.820 0.088 0.000 2.218 46 A HA 0.445 4.759 4.320 -0.010 0.000 0.209 46 A C 1.241 178.878 177.584 0.087 0.000 1.168 46 A CA 0.249 52.328 52.037 0.070 0.000 0.804 46 A CB -0.619 18.400 19.000 0.031 0.000 0.834 46 A HN 0.226 nan 8.150 nan 0.000 0.482 47 A N 0.404 123.313 122.820 0.148 0.000 2.316 47 A HA 0.552 4.866 4.320 -0.010 0.000 0.284 47 A C -0.032 177.610 177.584 0.098 0.000 1.115 47 A CA -0.512 51.605 52.037 0.134 0.000 0.812 47 A CB 0.335 19.452 19.000 0.196 0.000 1.064 47 A HN 0.287 nan 8.150 nan 0.000 0.489 48 E N 1.874 122.061 120.200 -0.021 0.000 2.373 48 E HA 0.206 4.550 4.350 -0.010 0.000 0.263 48 E C -1.511 174.870 176.600 -0.364 0.000 1.073 48 E CA -1.574 54.746 56.400 -0.133 0.000 0.894 48 E CB 0.522 30.172 29.700 -0.082 0.000 1.008 48 E HN 0.482 nan 8.360 nan 0.000 0.420 49 P HA -0.047 nan 4.420 nan 0.000 0.241 49 P C 0.666 177.754 177.300 -0.353 0.000 1.191 49 P CA 0.734 63.601 63.100 -0.388 0.000 0.771 49 P CB 0.100 31.593 31.700 -0.346 0.000 0.929 50 Y N 1.561 121.805 120.300 -0.094 0.000 2.128 50 Y HA -0.125 4.418 4.550 -0.011 0.000 0.284 50 Y C 2.889 178.776 175.900 -0.020 0.000 1.154 50 Y CA 1.221 59.273 58.100 -0.081 0.000 1.149 50 Y CB -1.887 36.547 38.460 -0.044 0.000 0.976 50 Y HN -0.029 nan 8.280 nan 0.000 0.505 51 A N -0.408 122.485 122.820 0.121 0.000 1.908 51 A HA -0.212 4.102 4.320 -0.010 0.000 0.218 51 A C 2.455 180.061 177.584 0.035 0.000 1.181 51 A CA 2.237 54.323 52.037 0.081 0.000 0.627 51 A CB -1.101 17.934 19.000 0.059 0.000 0.818 51 A HN 0.418 nan 8.150 nan 0.000 0.445 52 S N -1.092 114.610 115.700 0.004 0.000 2.387 52 S HA -0.099 4.365 4.470 -0.010 0.000 0.226 52 S C 2.139 176.737 174.600 -0.003 0.000 1.026 52 S CA 1.366 59.563 58.200 -0.005 0.000 0.972 52 S CB -0.282 62.907 63.200 -0.019 0.000 0.814 52 S HN 0.566 nan 8.310 nan 0.000 0.477 53 R N 1.740 122.238 120.500 -0.004 0.000 2.073 53 R HA 0.102 4.436 4.340 -0.010 0.000 0.234 53 R C 1.983 178.287 176.300 0.008 0.000 1.134 53 R CA 1.361 57.462 56.100 0.001 0.000 0.952 53 R CB -1.058 29.242 30.300 0.000 0.000 0.850 53 R HN 0.394 nan 8.270 nan 0.000 0.433 54 L N -0.249 120.990 121.223 0.026 0.000 2.046 54 L HA -0.118 4.216 4.340 -0.010 0.000 0.208 54 L C 2.481 179.351 176.870 0.001 0.000 1.077 54 L CA 1.506 56.360 54.840 0.022 0.000 0.747 54 L CB -0.672 41.422 42.059 0.059 0.000 0.896 54 L HN 0.289 nan 8.230 nan 0.000 0.432 55 A N -0.012 122.810 122.820 0.004 0.000 1.908 55 A HA -0.239 4.075 4.320 -0.010 0.000 0.218 55 A C 2.155 179.726 177.584 -0.022 0.000 1.181 55 A CA 1.844 53.877 52.037 -0.008 0.000 0.627 55 A CB -0.482 18.517 19.000 -0.003 0.000 0.818 55 A HN 0.471 nan 8.150 nan 0.000 0.445 56 E N -1.010 119.178 120.200 -0.020 0.000 2.150 56 E HA -0.105 4.239 4.350 -0.010 0.000 0.193 56 E C 1.944 178.514 176.600 -0.050 0.000 0.985 56 E CA 1.418 57.800 56.400 -0.030 0.000 0.814 56 E CB -0.236 29.453 29.700 -0.018 0.000 0.752 56 E HN 0.583 nan 8.360 nan 0.000 0.466 57 T N -0.033 114.494 114.554 -0.047 0.000 2.821 57 T HA -0.087 4.257 4.350 -0.010 0.000 0.267 57 T C 1.860 176.506 174.700 -0.089 0.000 1.046 57 T CA 1.093 63.151 62.100 -0.069 0.000 1.139 57 T CB -0.346 68.484 68.868 -0.063 0.000 0.871 57 T HN 0.371 nan 8.240 nan 0.000 0.454 58 G N 1.000 109.760 108.800 -0.066 0.000 2.418 58 G HA2 -0.177 3.777 3.960 -0.010 0.000 0.217 58 G HA3 -0.177 3.777 3.960 -0.010 0.000 0.217 58 G C 1.442 176.296 174.900 -0.076 0.000 1.158 58 G CA 0.704 45.767 45.100 -0.061 0.000 0.771 58 G HN 0.465 nan 8.290 nan 0.000 0.545 59 E N -0.015 120.139 120.200 -0.076 0.000 2.058 59 E HA -0.083 4.261 4.350 -0.010 0.000 0.194 59 E C 2.788 179.296 176.600 -0.152 0.000 0.997 59 E CA 0.807 57.156 56.400 -0.085 0.000 0.801 59 E CB -0.053 29.609 29.700 -0.063 0.000 0.746 59 E HN 0.293 nan 8.360 nan 0.000 0.450 60 R N -0.082 120.291 120.500 -0.212 0.000 2.081 60 R HA -0.110 4.224 4.340 -0.010 0.000 0.235 60 R C 2.359 178.258 176.300 -0.670 0.000 1.131 60 R CA 1.084 56.915 56.100 -0.447 0.000 0.960 60 R CB -0.329 29.737 30.300 -0.390 0.000 0.856 60 R HN 0.133 nan 8.270 nan 0.000 0.436 61 A N 1.282 123.892 122.820 -0.350 0.000 1.933 61 A HA -0.172 4.142 4.320 -0.010 0.000 0.218 61 A C 2.118 179.651 177.584 -0.085 0.000 1.175 61 A CA 1.202 53.130 52.037 -0.182 0.000 0.628 61 A CB -0.347 18.614 19.000 -0.065 0.000 0.814 61 A HN 0.229 nan 8.150 nan 0.000 0.444 62 R N -0.850 119.599 120.500 -0.085 0.000 2.075 62 R HA -0.119 4.215 4.340 -0.010 0.000 0.232 62 R C 2.296 178.597 176.300 0.002 0.000 1.126 62 R CA 1.417 57.505 56.100 -0.021 0.000 0.963 62 R CB -0.276 30.010 30.300 -0.024 0.000 0.858 62 R HN 0.780 nan 8.270 nan 0.000 0.435 63 E N 0.283 120.451 120.200 -0.053 0.000 2.077 63 E HA -0.205 4.139 4.350 -0.010 0.000 0.193 63 E C 1.633 178.334 176.600 0.169 0.000 0.989 63 E CA 1.273 57.684 56.400 0.019 0.000 0.800 63 E CB 0.027 29.712 29.700 -0.025 0.000 0.746 63 E HN 0.558 nan 8.360 nan 0.000 0.452 64 H N -0.569 118.556 119.070 0.092 0.000 2.352 64 H HA -0.120 4.429 4.556 -0.010 0.000 0.299 64 H C 2.415 178.010 175.328 0.444 0.000 1.097 64 H CA 1.245 57.418 56.048 0.210 0.000 1.311 64 H CB -0.013 29.744 29.762 -0.009 0.000 1.377 64 H HN 0.043 nan 8.280 nan 0.000 0.504 65 R N 0.926 121.645 120.500 0.365 0.000 2.081 65 R HA -0.106 4.227 4.340 -0.010 0.000 0.235 65 R C 2.469 178.872 176.300 0.170 0.000 1.131 65 R CA 1.178 57.423 56.100 0.242 0.000 0.960 65 R CB -0.192 30.191 30.300 0.139 0.000 0.856 65 R HN 0.291 nan 8.270 nan 0.000 0.436 66 A N -0.373 122.541 122.820 0.157 0.000 2.015 66 A HA -0.112 4.202 4.320 -0.010 0.000 0.219 66 A C 1.982 179.639 177.584 0.122 0.000 1.163 66 A CA 1.775 53.876 52.037 0.107 0.000 0.646 66 A CB -0.507 18.543 19.000 0.084 0.000 0.806 66 A HN 0.610 nan 8.150 nan 0.000 0.448 67 T N -3.571 111.121 114.554 0.230 0.000 3.060 67 T HA 0.325 4.669 4.350 -0.010 0.000 0.249 67 T C 0.748 175.495 174.700 0.078 0.000 1.079 67 T CA 0.077 62.317 62.100 0.234 0.000 1.013 67 T CB -0.415 68.689 68.868 0.392 0.000 0.975 67 T HN 0.326 nan 8.240 nan 0.000 0.518 68 M N 2.452 122.005 119.600 -0.079 0.000 2.252 68 M HA 0.401 4.875 4.480 -0.010 0.000 0.348 68 M C -0.610 175.381 176.300 -0.514 0.000 1.334 68 M CA 0.203 55.020 55.300 -0.805 0.000 1.071 68 M CB 0.186 32.419 32.600 -0.612 0.000 1.763 68 M HN 0.313 nan 8.290 nan 0.000 0.452 69 A N 7.315 129.790 122.820 -0.575 0.000 2.876 69 A HA 0.571 4.885 4.320 -0.010 0.000 0.309 69 A C -2.826 174.546 177.584 -0.354 0.000 1.168 69 A CA -1.184 50.656 52.037 -0.328 0.000 0.762 69 A CB 0.274 19.166 19.000 -0.181 0.000 1.262 69 A HN 0.544 nan 8.150 nan 0.000 0.435 70 P HA 0.334 nan 4.420 nan 0.000 0.271 70 P C 0.240 177.314 177.300 -0.376 0.000 1.226 70 P CA 0.586 63.286 63.100 -0.666 0.000 0.765 70 P CB 1.165 32.316 31.700 -0.914 0.000 0.835 71 T N 0.208 114.650 114.554 -0.186 0.000 2.865 71 T HA 0.495 4.838 4.350 -0.010 0.000 0.294 71 T C -2.338 172.491 174.700 0.215 0.000 1.119 71 T CA -2.410 59.691 62.100 0.002 0.000 1.007 71 T CB 1.422 70.259 68.868 -0.051 0.000 1.225 71 T HN -0.081 nan 8.240 nan 0.000 0.515 72 P HA -0.020 nan 4.420 nan 0.000 0.220 72 P C 1.126 178.537 177.300 0.185 0.000 1.144 72 P CA 1.383 64.600 63.100 0.194 0.000 0.800 72 P CB -0.064 31.709 31.700 0.120 0.000 0.772 73 T N -6.263 108.296 114.554 0.009 0.000 3.091 73 T HA 0.348 4.692 4.350 -0.010 0.000 0.277 73 T C 0.337 174.590 174.700 -0.746 0.000 0.996 73 T CA -0.097 61.922 62.100 -0.134 0.000 0.897 73 T CB -0.210 68.630 68.868 -0.046 0.000 1.109 73 T HN 0.148 nan 8.240 nan 0.000 0.534 74 S N -0.033 115.122 115.700 -0.908 0.000 2.611 74 S HA 0.671 5.134 4.470 -0.010 0.000 0.268 74 S C -0.294 174.058 174.600 -0.414 0.000 1.156 74 S CA -0.835 56.757 58.200 -1.013 0.000 0.817 74 S CB 1.581 64.571 63.200 -0.350 0.000 1.122 74 S HN 0.066 nan 8.310 nan 0.000 0.466 75 L N -0.278 120.910 121.223 -0.057 0.000 2.609 75 L HA 0.600 4.934 4.340 -0.010 0.000 0.230 75 L C -0.577 176.139 176.870 -0.257 0.000 1.064 75 L CA 0.227 55.032 54.840 -0.057 0.000 0.873 75 L CB 0.097 42.235 42.059 0.131 0.000 1.139 75 L HN 0.735 nan 8.230 nan 0.000 0.490 76 W N 1.185 122.538 121.300 0.089 0.000 2.666 76 W HA 0.411 5.065 4.660 -0.010 0.000 0.334 76 W C -2.100 174.488 176.519 0.115 0.000 1.051 76 W CA -1.840 55.576 57.345 0.117 0.000 1.224 76 W CB 1.107 30.683 29.460 0.194 0.000 1.405 76 W HN -0.165 nan 8.180 nan 0.000 0.513 77 P HA 0.083 nan 4.420 nan 0.000 0.266 77 P C 0.719 178.099 177.300 0.133 0.000 1.195 77 P CA 1.345 64.530 63.100 0.141 0.000 0.768 77 P CB 0.457 32.223 31.700 0.109 0.000 0.838 78 G N 1.559 110.332 108.800 -0.044 0.000 2.176 78 G HA2 -0.206 3.748 3.960 -0.010 0.000 0.253 78 G HA3 -0.206 3.748 3.960 -0.010 0.000 0.253 78 G C 0.173 174.719 174.900 -0.591 0.000 0.979 78 G CA -0.224 44.709 45.100 -0.279 0.000 0.641 78 G HN 0.736 nan 8.290 nan 0.000 0.530 79 H N 0.830 119.855 119.070 -0.075 0.000 2.379 79 H HA 0.264 4.814 4.556 -0.010 0.000 0.229 79 H C -2.521 172.777 175.328 -0.050 0.000 1.423 79 H CA -0.840 55.148 56.048 -0.100 0.000 1.375 79 H CB 1.533 31.214 29.762 -0.135 0.000 1.592 79 H HN 0.354 nan 8.280 nan 0.000 0.507 80 P HA -0.003 nan 4.420 nan 0.000 0.272 80 P C 0.574 177.946 177.300 0.120 0.000 1.223 80 P CA -0.325 62.738 63.100 -0.061 0.000 0.784 80 P CB 0.962 32.646 31.700 -0.026 0.000 0.923 81 F N -0.451 119.587 119.950 0.147 0.000 2.699 81 F HA 0.048 4.569 4.527 -0.010 0.000 0.298 81 F C 1.115 177.083 175.800 0.280 0.000 1.154 81 F CA 0.710 58.813 58.000 0.173 0.000 1.457 81 F CB -0.544 38.579 39.000 0.204 0.000 1.106 81 F HN 0.206 nan 8.300 nan 0.000 0.585 82 D N 0.924 121.562 120.400 0.396 0.000 2.542 82 D HA 0.223 4.857 4.640 -0.010 0.000 0.252 82 D C -2.664 173.758 176.300 0.205 0.000 1.222 82 D CA -2.213 52.013 54.000 0.377 0.000 0.895 82 D CB 1.867 42.772 40.800 0.175 0.000 1.207 82 D HN -0.128 nan 8.370 nan 0.000 0.558 83 P HA 0.264 nan 4.420 nan 0.000 0.272 83 P C -2.107 175.326 177.300 0.223 0.000 1.240 83 P CA -1.099 62.151 63.100 0.249 0.000 0.791 83 P CB 0.520 32.314 31.700 0.157 0.000 0.978 84 P HA -0.057 nan 4.420 nan 0.000 0.237 84 P C 1.182 178.397 177.300 -0.141 0.000 1.178 84 P CA 0.731 63.733 63.100 -0.163 0.000 0.766 84 P CB -0.286 31.080 31.700 -0.557 0.000 0.876 85 A N 0.950 123.771 122.820 0.002 0.000 1.978 85 A HA -0.111 4.203 4.320 -0.010 0.000 0.220 85 A C 2.516 180.176 177.584 0.126 0.000 1.170 85 A CA 1.972 54.041 52.037 0.053 0.000 0.636 85 A CB -1.900 17.139 19.000 0.066 0.000 0.810 85 A HN 0.303 nan 8.150 nan 0.000 0.448 86 G N -0.139 108.760 108.800 0.164 0.000 2.448 86 G HA2 -0.131 3.823 3.960 -0.010 0.000 0.219 86 G HA3 -0.131 3.823 3.960 -0.010 0.000 0.219 86 G C 1.443 176.564 174.900 0.368 0.000 1.127 86 G CA 1.054 46.329 45.100 0.290 0.000 0.766 86 G HN 0.531 nan 8.290 nan 0.000 0.552 87 I N 0.674 121.355 120.570 0.186 0.000 2.233 87 I HA -0.122 4.042 4.170 -0.010 0.000 0.243 87 I C 2.928 179.047 176.117 0.004 0.000 1.093 87 I CA 1.407 62.694 61.300 -0.021 0.000 1.380 87 I CB -0.591 37.197 38.000 -0.354 0.000 1.067 87 I HN 0.035 nan 8.210 nan 0.000 0.413 88 T N 1.027 115.580 114.554 -0.001 0.000 2.777 88 T HA -0.184 4.160 4.350 -0.010 0.000 0.266 88 T C 1.710 176.473 174.700 0.104 0.000 1.040 88 T CA 1.316 63.440 62.100 0.040 0.000 1.141 88 T CB -0.457 68.423 68.868 0.020 0.000 0.868 88 T HN 0.245 nan 8.240 nan 0.000 0.444 89 F N 2.352 122.298 119.950 -0.007 0.000 2.126 89 F HA -0.086 4.435 4.527 -0.010 0.000 0.299 89 F C 2.429 178.151 175.800 -0.130 0.000 1.096 89 F CA 1.079 59.028 58.000 -0.085 0.000 1.255 89 F CB -0.628 38.308 39.000 -0.107 0.000 0.997 89 F HN 0.147 nan 8.300 nan 0.000 0.479 90 A N -0.618 122.280 122.820 0.129 0.000 1.877 90 A HA -0.216 4.098 4.320 -0.010 0.000 0.216 90 A C 2.034 179.615 177.584 -0.004 0.000 1.186 90 A CA 1.723 53.851 52.037 0.151 0.000 0.620 90 A CB -1.589 17.624 19.000 0.355 0.000 0.822 90 A HN 0.510 nan 8.150 nan 0.000 0.443 91 Y N 0.372 120.677 120.300 0.008 0.000 2.256 91 Y HA -0.104 4.439 4.550 -0.010 0.000 0.288 91 Y C 2.732 178.613 175.900 -0.032 0.000 1.155 91 Y CA 0.831 58.918 58.100 -0.023 0.000 1.203 91 Y CB -0.928 37.461 38.460 -0.119 0.000 0.980 91 Y HN 0.327 nan 8.280 nan 0.000 0.530 92 G N -0.474 108.324 108.800 -0.004 0.000 2.418 92 G HA2 -0.213 3.741 3.960 -0.010 0.000 0.217 92 G HA3 -0.213 3.741 3.960 -0.010 0.000 0.217 92 G C 1.825 176.627 174.900 -0.162 0.000 1.158 92 G CA 0.631 45.691 45.100 -0.066 0.000 0.771 92 G HN 0.279 nan 8.290 nan 0.000 0.545 93 R N -0.313 119.880 120.500 -0.511 0.000 2.092 93 R HA 0.135 4.468 4.340 -0.010 0.000 0.231 93 R C 2.611 178.810 176.300 -0.169 0.000 1.119 93 R CA 0.590 56.262 56.100 -0.713 0.000 0.970 93 R CB -0.398 28.872 30.300 -1.716 0.000 0.864 93 R HN 0.330 nan 8.270 nan 0.000 0.440 94 L N -0.310 120.933 121.223 0.032 0.000 2.131 94 L HA -0.199 4.135 4.340 -0.010 0.000 0.210 94 L C 2.403 179.402 176.870 0.216 0.000 1.092 94 L CA 1.090 56.050 54.840 0.200 0.000 0.759 94 L CB -0.487 41.726 42.059 0.257 0.000 0.903 94 L HN 0.461 nan 8.230 nan 0.000 0.435 95 W N 0.974 122.303 121.300 0.048 0.000 2.409 95 W HA -0.193 4.460 4.660 -0.011 0.000 0.299 95 W C 2.157 178.709 176.519 0.055 0.000 1.203 95 W CA 1.697 59.075 57.345 0.055 0.000 1.298 95 W CB -0.197 29.282 29.460 0.033 0.000 1.127 95 W HN 0.084 nan 8.180 nan 0.000 0.528 96 T N 2.144 116.632 114.554 -0.111 0.000 2.665 96 T HA -0.293 4.051 4.350 -0.010 0.000 0.268 96 T C 1.889 176.501 174.700 -0.147 0.000 1.035 96 T CA 2.502 64.502 62.100 -0.167 0.000 1.151 96 T CB -0.572 68.319 68.868 0.039 0.000 0.862 96 T HN 0.145 nan 8.240 nan 0.000 0.438 97 M N 0.724 120.317 119.600 -0.012 0.000 2.108 97 M HA -0.130 4.343 4.480 -0.010 0.000 0.261 97 M C 2.573 178.858 176.300 -0.026 0.000 1.066 97 M CA 1.515 56.829 55.300 0.023 0.000 1.107 97 M CB -0.708 31.960 32.600 0.115 0.000 1.356 97 M HN 0.202 nan 8.290 nan 0.000 0.406 98 T N -0.113 114.389 114.554 -0.086 0.000 2.777 98 T HA -0.126 4.218 4.350 -0.010 0.000 0.266 98 T C 1.572 176.135 174.700 -0.228 0.000 1.040 98 T CA 1.313 63.355 62.100 -0.098 0.000 1.141 98 T CB -0.250 68.584 68.868 -0.056 0.000 0.868 98 T HN 0.461 nan 8.240 nan 0.000 0.444 99 E N 1.162 121.043 120.200 -0.532 0.000 2.058 99 E HA -0.117 4.227 4.350 -0.010 0.000 0.194 99 E C 2.569 179.055 176.600 -0.190 0.000 0.997 99 E CA 1.065 57.191 56.400 -0.457 0.000 0.801 99 E CB -0.251 29.123 29.700 -0.544 0.000 0.746 99 E HN 0.472 nan 8.360 nan 0.000 0.450 100 A N 0.673 123.414 122.820 -0.133 0.000 1.940 100 A HA -0.234 4.080 4.320 -0.010 0.000 0.219 100 A C 2.033 179.605 177.584 -0.020 0.000 1.176 100 A CA 1.535 53.536 52.037 -0.059 0.000 0.631 100 A CB -0.722 18.258 19.000 -0.035 0.000 0.814 100 A HN 0.427 nan 8.150 nan 0.000 0.446 101 Y N 0.572 120.815 120.300 -0.096 0.000 2.220 101 Y HA -0.100 4.443 4.550 -0.010 0.000 0.291 101 Y C 2.377 178.242 175.900 -0.058 0.000 1.129 101 Y CA 2.059 60.114 58.100 -0.074 0.000 1.161 101 Y CB -0.038 38.373 38.460 -0.082 0.000 0.997 101 Y HN 0.203 nan 8.280 nan 0.000 0.522 102 V N -1.915 117.968 119.914 -0.052 0.000 3.052 102 V HA 0.093 4.207 4.120 -0.010 0.000 0.254 102 V C 0.408 176.453 176.094 -0.083 0.000 1.100 102 V CA 0.322 62.580 62.300 -0.070 0.000 1.112 102 V CB -0.310 31.559 31.823 0.077 0.000 0.738 102 V HN 0.178 nan 8.190 nan 0.000 0.469 103 Q N 1.626 121.381 119.800 -0.075 0.000 2.230 103 Q HA 0.415 4.749 4.340 -0.010 0.000 0.253 103 Q C -0.375 175.595 176.000 -0.049 0.000 0.919 103 Q CA -0.319 55.464 55.803 -0.033 0.000 0.908 103 Q CB 1.663 30.397 28.738 -0.007 0.000 1.245 103 Q HN 0.549 nan 8.270 nan 0.000 0.437 104 E N 0.022 120.202 120.200 -0.033 0.000 2.398 104 E HA 0.230 4.574 4.350 -0.010 0.000 0.263 104 E C 0.792 177.391 176.600 -0.001 0.000 1.046 104 E CA 0.543 56.920 56.400 -0.037 0.000 0.908 104 E CB 0.606 30.276 29.700 -0.050 0.000 0.963 104 E HN 0.902 nan 8.360 nan 0.000 0.431 105 G N 1.690 110.485 108.800 -0.008 0.000 2.176 105 G HA2 -0.330 3.624 3.960 -0.010 0.000 0.232 105 G HA3 -0.330 3.624 3.960 -0.010 0.000 0.232 105 G C 0.952 175.853 174.900 0.002 0.000 0.986 105 G CA 0.723 45.830 45.100 0.011 0.000 0.643 105 G HN 0.565 nan 8.290 nan 0.000 0.522 106 T N -2.125 112.420 114.554 -0.015 0.000 3.067 106 T HA 0.431 4.775 4.350 -0.010 0.000 0.257 106 T C 2.487 177.171 174.700 -0.026 0.000 1.105 106 T CA 1.791 63.877 62.100 -0.024 0.000 1.104 106 T CB 0.334 69.179 68.868 -0.038 0.000 0.925 106 T HN 2.195 nan 8.240 nan 0.000 0.498 107 G N 0.894 109.679 108.800 -0.025 0.000 2.195 107 G HA2 -0.115 3.839 3.960 -0.010 0.000 0.246 107 G HA3 -0.115 3.839 3.960 -0.010 0.000 0.246 107 G C 0.739 175.626 174.900 -0.022 0.000 0.984 107 G CA -0.049 45.038 45.100 -0.021 0.000 0.633 107 G HN 1.371 nan 8.290 nan 0.000 0.525 108 A N -0.281 122.521 122.820 -0.029 0.000 2.628 108 A HA 0.610 4.924 4.320 -0.010 0.000 0.267 108 A C 0.890 178.440 177.584 -0.057 0.000 1.159 108 A CA 1.283 53.309 52.037 -0.017 0.000 0.972 108 A CB 0.224 19.227 19.000 0.006 0.000 1.211 108 A HN 0.841 nan 8.150 nan 0.000 0.576 109 T N 1.141 115.632 114.554 -0.104 0.000 2.800 109 T HA 0.350 4.694 4.350 -0.010 0.000 0.283 109 T C 1.444 175.969 174.700 -0.291 0.000 0.999 109 T CA 1.359 63.334 62.100 -0.208 0.000 1.176 109 T CB 0.136 68.914 68.868 -0.150 0.000 0.973 109 T HN 1.525 nan 8.240 nan 0.000 0.519 110 G N 3.216 111.627 108.800 -0.649 0.000 2.187 110 G HA2 -0.267 3.687 3.960 -0.010 0.000 0.261 110 G HA3 -0.267 3.687 3.960 -0.010 0.000 0.261 110 G C 0.003 174.856 174.900 -0.079 0.000 1.000 110 G CA 0.146 44.898 45.100 -0.580 0.000 0.718 110 G HN 0.892 nan 8.290 nan 0.000 0.519 111 D N 0.687 121.114 120.400 0.045 0.000 2.358 111 D HA 0.267 4.900 4.640 -0.010 0.000 0.258 111 D C 0.089 176.527 176.300 0.229 0.000 1.223 111 D CA -1.682 52.396 54.000 0.130 0.000 0.886 111 D CB 1.134 41.989 40.800 0.092 0.000 1.120 111 D HN 0.224 nan 8.370 nan 0.000 0.482 112 P HA -0.101 nan 4.420 nan 0.000 0.223 112 P C 0.926 178.248 177.300 0.036 0.000 1.151 112 P CA 0.609 63.767 63.100 0.095 0.000 0.787 112 P CB 0.275 32.017 31.700 0.070 0.000 0.788 113 A N 0.315 123.160 122.820 0.042 0.000 1.898 113 A HA -0.136 4.178 4.320 -0.010 0.000 0.216 113 A C 2.192 179.785 177.584 0.014 0.000 1.181 113 A CA 1.314 53.365 52.037 0.022 0.000 0.620 113 A CB -1.547 17.469 19.000 0.027 0.000 0.819 113 A HN 0.180 nan 8.150 nan 0.000 0.442 114 L N -0.605 120.642 121.223 0.041 0.000 2.017 114 L HA -0.099 4.234 4.340 -0.010 0.000 0.208 114 L C 2.220 179.053 176.870 -0.061 0.000 1.073 114 L CA 2.076 56.938 54.840 0.037 0.000 0.745 114 L CB -0.783 41.343 42.059 0.112 0.000 0.894 114 L HN 0.323 nan 8.230 nan 0.000 0.432 115 L N 0.122 121.242 121.223 -0.171 0.000 2.042 115 L HA -0.157 4.177 4.340 -0.010 0.000 0.210 115 L C 2.528 179.278 176.870 -0.200 0.000 1.076 115 L CA 2.147 56.743 54.840 -0.407 0.000 0.749 115 L CB -1.095 40.587 42.059 -0.628 0.000 0.893 115 L HN 0.337 nan 8.230 nan 0.000 0.432 116 A N -1.018 121.739 122.820 -0.105 0.000 1.908 116 A HA -0.238 4.076 4.320 -0.010 0.000 0.218 116 A C 2.038 179.598 177.584 -0.040 0.000 1.181 116 A CA 1.981 53.984 52.037 -0.056 0.000 0.627 116 A CB -0.817 18.166 19.000 -0.028 0.000 0.818 116 A HN 0.532 nan 8.150 nan 0.000 0.445 117 D N -0.220 120.162 120.400 -0.031 0.000 2.178 117 D HA -0.061 4.572 4.640 -0.010 0.000 0.202 117 D C 1.849 178.148 176.300 -0.001 0.000 0.974 117 D CA 0.897 54.889 54.000 -0.014 0.000 0.841 117 D CB -0.241 40.565 40.800 0.009 0.000 0.953 117 D HN 0.544 nan 8.370 nan 0.000 0.478 118 I N 0.143 120.706 120.570 -0.012 0.000 2.202 118 I HA -0.239 3.925 4.170 -0.010 0.000 0.242 118 I C 1.995 178.126 176.117 0.024 0.000 1.091 118 I CA 0.536 61.847 61.300 0.018 0.000 1.368 118 I CB -0.037 37.947 38.000 -0.027 0.000 1.058 118 I HN -0.027 nan 8.210 nan 0.000 0.410 119 L N 0.481 121.697 121.223 -0.011 0.000 2.093 119 L HA -0.157 4.176 4.340 -0.010 0.000 0.208 119 L C 2.564 179.451 176.870 0.029 0.000 1.085 119 L CA 1.605 56.453 54.840 0.012 0.000 0.755 119 L CB -0.960 41.094 42.059 -0.008 0.000 0.904 119 L HN 0.163 nan 8.230 nan 0.000 0.435 120 R N -0.442 120.064 120.500 0.010 0.000 2.091 120 R HA -0.148 4.186 4.340 -0.010 0.000 0.238 120 R C 2.215 178.533 176.300 0.029 0.000 1.136 120 R CA 1.563 57.669 56.100 0.010 0.000 0.959 120 R CB -0.613 29.673 30.300 -0.023 0.000 0.856 120 R HN 0.397 nan 8.270 nan 0.000 0.437 121 G N 0.650 109.459 108.800 0.015 0.000 2.402 121 G HA2 -0.190 3.764 3.960 -0.010 0.000 0.216 121 G HA3 -0.190 3.764 3.960 -0.010 0.000 0.216 121 G C 1.444 176.391 174.900 0.079 0.000 1.162 121 G CA 0.543 45.656 45.100 0.022 0.000 0.777 121 G HN 0.234 nan 8.290 nan 0.000 0.539 122 L N 0.536 121.815 121.223 0.093 0.000 2.046 122 L HA -0.069 4.265 4.340 -0.010 0.000 0.208 122 L C 2.519 179.465 176.870 0.128 0.000 1.077 122 L CA 1.241 56.159 54.840 0.130 0.000 0.747 122 L CB -0.347 41.806 42.059 0.157 0.000 0.896 122 L HN 0.093 nan 8.230 nan 0.000 0.432 123 D N -1.369 119.096 120.400 0.109 0.000 2.144 123 D HA -0.217 4.417 4.640 -0.010 0.000 0.199 123 D C 1.986 178.359 176.300 0.121 0.000 0.984 123 D CA 1.255 55.317 54.000 0.103 0.000 0.834 123 D CB -0.182 40.667 40.800 0.081 0.000 0.955 123 D HN 0.383 nan 8.370 nan 0.000 0.465 124 H N 0.401 119.498 119.070 0.044 0.000 2.357 124 H HA 0.033 4.583 4.556 -0.010 0.000 0.301 124 H C 2.107 177.488 175.328 0.087 0.000 1.082 124 H CA 1.181 57.266 56.048 0.062 0.000 1.342 124 H CB -0.325 29.459 29.762 0.037 0.000 1.389 124 H HN 0.037 nan 8.280 nan 0.000 0.511 125 L N -0.809 120.414 121.223 -0.000 0.000 2.046 125 L HA -0.162 4.172 4.340 -0.010 0.000 0.208 125 L C 2.733 179.627 176.870 0.041 0.000 1.077 125 L CA 1.489 56.263 54.840 -0.111 0.000 0.747 125 L CB -0.636 41.281 42.059 -0.237 0.000 0.896 125 L HN 0.309 nan 8.230 nan 0.000 0.432 126 S N -0.431 115.349 115.700 0.135 0.000 2.423 126 S HA -0.101 4.362 4.470 -0.010 0.000 0.231 126 S C 1.986 176.686 174.600 0.167 0.000 1.014 126 S CA 1.091 59.417 58.200 0.211 0.000 0.965 126 S CB 0.020 63.328 63.200 0.180 0.000 0.785 126 S HN 0.425 nan 8.310 nan 0.000 0.495 127 A N 0.505 123.364 122.820 0.065 0.000 1.935 127 A HA 0.070 4.383 4.320 -0.010 0.000 0.214 127 A C 2.327 179.934 177.584 0.038 0.000 1.178 127 A CA 1.638 53.676 52.037 0.002 0.000 0.640 127 A CB -0.878 18.117 19.000 -0.009 0.000 0.825 127 A HN 0.705 nan 8.150 nan 0.000 0.447 128 T N -5.249 109.315 114.554 0.016 0.000 3.015 128 T HA 0.285 4.629 4.350 -0.010 0.000 0.250 128 T C 1.127 175.953 174.700 0.211 0.000 1.057 128 T CA 1.023 63.169 62.100 0.078 0.000 1.066 128 T CB 0.761 69.591 68.868 -0.063 0.000 0.959 128 T HN 0.437 nan 8.240 nan 0.000 0.488 129 V N -1.458 118.531 119.914 0.125 0.000 3.273 129 V HA 0.420 4.534 4.120 -0.010 0.000 0.208 129 V C -0.864 175.239 176.094 0.015 0.000 1.464 129 V CA -0.474 61.834 62.300 0.013 0.000 1.270 129 V CB 0.413 32.022 31.823 -0.356 0.000 1.161 129 V HN 0.415 nan 8.190 nan 0.000 0.512 130 Y N 4.654 124.972 120.300 0.029 0.000 2.821 130 Y HA 0.618 5.162 4.550 -0.010 0.000 0.331 130 Y C -0.097 176.006 175.900 0.339 0.000 1.251 130 Y CA -0.359 57.875 58.100 0.223 0.000 1.494 130 Y CB -0.586 38.008 38.460 0.225 0.000 1.493 130 Y HN 0.765 nan 8.280 nan 0.000 0.496 131 H N 0.949 120.129 119.070 0.183 0.000 3.014 131 H HA 0.444 4.994 4.556 -0.010 0.000 0.337 131 H C -2.865 172.287 175.328 -0.293 0.000 1.320 131 H CA -2.805 53.231 56.048 -0.020 0.000 1.128 131 H CB 0.994 30.753 29.762 -0.005 0.000 1.862 131 H HN -0.054 nan 8.280 nan 0.000 0.536 132 P HA 0.057 nan 4.420 nan 0.000 0.234 132 P C 0.842 177.711 177.300 -0.719 0.000 1.167 132 P CA 1.635 64.175 63.100 -0.933 0.000 0.763 132 P CB -0.017 31.341 31.700 -0.570 0.000 0.835 133 A N -1.410 121.379 122.820 -0.052 0.000 2.208 133 A HA 0.075 4.388 4.320 -0.010 0.000 0.209 133 A C 1.014 178.611 177.584 0.020 0.000 1.161 133 A CA 0.664 52.711 52.037 0.016 0.000 0.782 133 A CB -0.941 18.138 19.000 0.131 0.000 0.816 133 A HN 0.093 nan 8.150 nan 0.000 0.477 134 T N 1.657 116.135 114.554 -0.125 0.000 2.832 134 T HA 0.353 4.697 4.350 -0.010 0.000 0.296 134 T C -0.030 174.683 174.700 0.022 0.000 0.968 134 T CA 0.253 62.329 62.100 -0.040 0.000 1.107 134 T CB 0.909 69.734 68.868 -0.072 0.000 0.916 134 T HN 0.193 nan 8.240 nan 0.000 0.517 135 T N 4.705 119.282 114.554 0.038 0.000 2.728 135 T HA 0.262 4.606 4.350 -0.010 0.000 0.296 135 T C 0.583 175.217 174.700 -0.110 0.000 0.940 135 T CA -0.568 61.526 62.100 -0.011 0.000 1.013 135 T CB 0.465 69.348 68.868 0.025 0.000 0.912 135 T HN 0.411 nan 8.240 nan 0.000 0.484 136 R N 2.872 123.162 120.500 -0.350 0.000 2.585 136 R HA 0.155 4.489 4.340 -0.010 0.000 0.275 136 R C -0.817 175.255 176.300 -0.380 0.000 1.018 136 R CA 0.239 55.820 56.100 -0.865 0.000 1.072 136 R CB 0.156 29.994 30.300 -0.771 0.000 0.953 136 R HN 0.722 nan 8.270 nan 0.000 0.419 137 Y N 1.384 121.574 120.300 -0.182 0.000 2.576 137 Y HA 0.627 5.171 4.550 -0.010 0.000 0.346 137 Y C 0.381 176.520 175.900 0.398 0.000 1.018 137 Y CA -0.490 57.701 58.100 0.151 0.000 1.050 137 Y CB 0.744 39.311 38.460 0.178 0.000 1.280 137 Y HN 0.914 nan 8.280 nan 0.000 0.474 138 G N 1.831 110.896 108.800 0.442 0.000 2.575 138 G HA2 -0.356 3.598 3.960 -0.010 0.000 0.267 138 G HA3 -0.356 3.598 3.960 -0.010 0.000 0.267 138 G C -0.651 174.455 174.900 0.343 0.000 1.264 138 G CA -0.009 45.319 45.100 0.380 0.000 0.935 138 G HN 1.134 nan 8.290 nan 0.000 0.568 139 N N 1.977 120.842 118.700 0.275 0.000 2.429 139 N HA 0.050 4.784 4.740 -0.010 0.000 0.271 139 N C 1.790 177.444 175.510 0.241 0.000 1.272 139 N CA 0.426 53.588 53.050 0.187 0.000 0.921 139 N CB -0.192 38.338 38.487 0.072 0.000 1.128 139 N HN 0.707 nan 8.380 nan 0.000 0.481 140 W N 3.466 124.918 121.300 0.252 0.000 2.325 140 W HA -0.205 4.449 4.660 -0.011 0.000 0.299 140 W C 1.281 177.965 176.519 0.276 0.000 1.215 140 W CA 0.120 57.616 57.345 0.251 0.000 1.244 140 W CB -1.233 28.290 29.460 0.104 0.000 1.140 140 W HN 0.670 nan 8.180 nan 0.000 0.523 141 W N 2.806 123.522 121.300 -0.973 0.000 2.363 141 W HA -0.188 4.466 4.660 -0.011 0.000 0.296 141 W C 2.343 178.628 176.519 -0.390 0.000 1.212 141 W CA 2.533 59.254 57.345 -1.039 0.000 1.260 141 W CB -0.195 28.543 29.460 -1.203 0.000 1.131 141 W HN -0.204 nan 8.180 nan 0.000 0.530 142 E N -0.732 119.460 120.200 -0.014 0.000 2.153 142 E HA -0.220 4.124 4.350 -0.010 0.000 0.194 142 E C 1.635 177.999 176.600 -0.395 0.000 0.988 142 E CA 1.700 57.990 56.400 -0.184 0.000 0.811 142 E CB -1.032 28.502 29.700 -0.278 0.000 0.746 142 E HN 0.557 nan 8.360 nan 0.000 0.466 143 W N 0.873 122.046 121.300 -0.211 0.000 2.640 143 W HA 0.063 4.717 4.660 -0.010 0.000 0.268 143 W C 2.147 178.570 176.519 -0.160 0.000 1.263 143 W CA 0.151 57.349 57.345 -0.245 0.000 1.344 143 W CB 0.130 29.381 29.460 -0.349 0.000 1.093 143 W HN 0.052 nan 8.180 nan 0.000 0.603 144 Q N -0.873 118.969 119.800 0.070 0.000 2.350 144 Q HA 0.217 4.551 4.340 -0.010 0.000 0.225 144 Q C 1.584 177.485 176.000 -0.165 0.000 0.878 144 Q CA 0.634 56.476 55.803 0.065 0.000 0.935 144 Q CB 0.680 29.571 28.738 0.254 0.000 1.099 144 Q HN 0.362 nan 8.270 nan 0.000 0.527 145 I N -1.482 118.765 120.570 -0.539 0.000 3.878 145 I HA 0.124 4.287 4.170 -0.010 0.000 0.273 145 I C 1.984 177.539 176.117 -0.937 0.000 1.165 145 I CA 0.510 61.322 61.300 -0.814 0.000 1.360 145 I CB 0.001 37.273 38.000 -1.214 0.000 1.539 145 I HN 0.110 nan 8.210 nan 0.000 0.447 146 G N 0.703 108.726 108.800 -1.294 0.000 2.434 146 G HA2 -0.190 3.764 3.960 -0.010 0.000 0.214 146 G HA3 -0.190 3.764 3.960 -0.010 0.000 0.214 146 G C 1.663 176.281 174.900 -0.471 0.000 1.202 146 G CA 1.154 45.754 45.100 -0.834 0.000 0.788 146 G HN 0.276 nan 8.290 nan 0.000 0.539 147 S N 1.531 116.941 115.700 -0.483 0.000 2.356 147 S HA -0.057 4.407 4.470 -0.010 0.000 0.223 147 S C 0.224 174.391 174.600 -0.722 0.000 1.032 147 S CA 1.635 59.477 58.200 -0.597 0.000 1.005 147 S CB -0.741 61.996 63.200 -0.772 0.000 0.867 147 S HN 0.382 nan 8.310 nan 0.000 0.449 148 P HA -0.043 nan 4.420 nan 0.000 0.219 148 P C 1.084 178.195 177.300 -0.316 0.000 1.150 148 P CA 1.014 63.911 63.100 -0.337 0.000 0.814 148 P CB -0.046 31.601 31.700 -0.088 0.000 0.787 149 R N -0.433 119.879 120.500 -0.313 0.000 2.096 149 R HA -0.008 4.326 4.340 -0.010 0.000 0.235 149 R C 2.582 178.709 176.300 -0.287 0.000 1.127 149 R CA 1.033 56.979 56.100 -0.256 0.000 0.968 149 R CB -0.844 29.320 30.300 -0.226 0.000 0.861 149 R HN 0.238 nan 8.270 nan 0.000 0.440 150 L N 0.212 121.226 121.223 -0.349 0.000 2.072 150 L HA -0.159 4.175 4.340 -0.010 0.000 0.205 150 L C 2.355 179.052 176.870 -0.289 0.000 1.079 150 L CA 0.543 55.185 54.840 -0.331 0.000 0.752 150 L CB -0.398 41.524 42.059 -0.229 0.000 0.906 150 L HN 0.163 nan 8.230 nan 0.000 0.436 151 L N -0.540 120.388 121.223 -0.491 0.000 2.042 151 L HA -0.231 4.103 4.340 -0.010 0.000 0.210 151 L C 2.491 179.270 176.870 -0.152 0.000 1.076 151 L CA 1.901 56.496 54.840 -0.409 0.000 0.749 151 L CB -0.419 41.256 42.059 -0.640 0.000 0.893 151 L HN 0.170 nan 8.230 nan 0.000 0.432 152 M N -0.901 118.598 119.600 -0.169 0.000 2.117 152 M HA -0.174 4.300 4.480 -0.010 0.000 0.262 152 M C 1.961 178.239 176.300 -0.037 0.000 1.065 152 M CA 1.439 56.676 55.300 -0.106 0.000 1.114 152 M CB -1.374 31.121 32.600 -0.176 0.000 1.361 152 M HN 0.264 nan 8.290 nan 0.000 0.408 153 D N 0.695 121.052 120.400 -0.073 0.000 2.123 153 D HA -0.087 4.546 4.640 -0.010 0.000 0.196 153 D C 2.111 178.545 176.300 0.222 0.000 0.992 153 D CA 1.205 55.190 54.000 -0.026 0.000 0.833 153 D CB -0.256 40.184 40.800 -0.599 0.000 0.954 153 D HN 0.358 nan 8.370 nan 0.000 0.455 154 I N 0.669 121.391 120.570 0.252 0.000 2.252 154 I HA -0.217 3.947 4.170 -0.010 0.000 0.245 154 I C 2.274 178.573 176.117 0.303 0.000 1.102 154 I CA 0.994 62.544 61.300 0.417 0.000 1.385 154 I CB -0.272 37.935 38.000 0.345 0.000 1.064 154 I HN -0.036 nan 8.210 nan 0.000 0.414 155 T N 0.792 115.473 114.554 0.212 0.000 2.746 155 T HA -0.180 4.164 4.350 -0.010 0.000 0.267 155 T C 2.089 176.958 174.700 0.283 0.000 1.039 155 T CA 1.476 63.703 62.100 0.211 0.000 1.142 155 T CB -0.350 68.607 68.868 0.148 0.000 0.866 155 T HN 0.474 nan 8.240 nan 0.000 0.444 156 A N 1.517 124.484 122.820 0.245 0.000 1.883 156 A HA 0.083 4.397 4.320 -0.010 0.000 0.217 156 A C 2.633 180.405 177.584 0.313 0.000 1.186 156 A CA 1.985 54.172 52.037 0.249 0.000 0.624 156 A CB -1.135 18.027 19.000 0.271 0.000 0.822 156 A HN 0.522 nan 8.150 nan 0.000 0.444 157 A N -1.019 122.021 122.820 0.367 0.000 1.968 157 A HA 0.180 4.493 4.320 -0.010 0.000 0.217 157 A C 1.804 179.597 177.584 0.349 0.000 1.169 157 A CA 1.266 53.520 52.037 0.361 0.000 0.638 157 A CB -0.321 18.931 19.000 0.421 0.000 0.812 157 A HN 0.448 nan 8.150 nan 0.000 0.446 158 L N -1.813 119.617 121.223 0.345 0.000 2.769 158 L HA 0.145 4.479 4.340 -0.010 0.000 0.240 158 L C 1.728 178.806 176.870 0.347 0.000 1.163 158 L CA -0.177 54.876 54.840 0.355 0.000 0.962 158 L CB -0.221 41.971 42.059 0.223 0.000 1.258 158 L HN 0.478 nan 8.230 nan 0.000 0.513 159 Y N 1.824 122.230 120.300 0.176 0.000 2.062 159 Y HA -0.378 4.166 4.550 -0.010 0.000 0.276 159 Y C 2.123 178.058 175.900 0.057 0.000 1.189 159 Y CA 2.175 60.340 58.100 0.108 0.000 1.130 159 Y CB 0.053 38.570 38.460 0.095 0.000 0.959 159 Y HN 0.298 nan 8.280 nan 0.000 0.499 160 D N -1.486 118.973 120.400 0.099 0.000 2.264 160 D HA -0.151 4.483 4.640 -0.010 0.000 0.208 160 D C 1.700 177.854 176.300 -0.243 0.000 0.966 160 D CA 1.240 55.162 54.000 -0.130 0.000 0.864 160 D CB -0.322 40.399 40.800 -0.132 0.000 0.933 160 D HN 0.626 nan 8.370 nan 0.000 0.499 161 H N -0.281 118.806 119.070 0.029 0.000 2.551 161 H HA 0.162 4.711 4.556 -0.010 0.000 0.266 161 H C 2.109 177.418 175.328 -0.031 0.000 0.964 161 H CA 0.146 56.197 56.048 0.005 0.000 1.180 161 H CB 0.729 30.495 29.762 0.007 0.000 1.408 161 H HN 0.171 nan 8.280 nan 0.000 0.563 162 L N -0.235 121.009 121.223 0.035 0.000 2.307 162 L HA 0.165 4.498 4.340 -0.010 0.000 0.211 162 L C 0.944 177.792 176.870 -0.038 0.000 1.099 162 L CA 0.481 55.326 54.840 0.010 0.000 0.816 162 L CB 0.105 42.168 42.059 0.007 0.000 0.952 162 L HN 0.306 nan 8.230 nan 0.000 0.455 163 G N -0.810 107.930 108.800 -0.099 0.000 2.758 163 G HA2 -0.183 3.771 3.960 -0.010 0.000 0.686 163 G HA3 -0.183 3.771 3.960 -0.010 0.000 0.686 163 G C 0.563 175.391 174.900 -0.119 0.000 1.389 163 G CA -0.257 44.783 45.100 -0.099 0.000 0.845 163 G HN 0.212 nan 8.290 nan 0.000 0.572 164 A N -0.363 122.397 122.820 -0.100 0.000 1.930 164 A HA 0.084 4.398 4.320 -0.010 0.000 0.217 164 A C 2.035 179.588 177.584 -0.051 0.000 1.175 164 A CA 2.426 54.411 52.037 -0.088 0.000 0.627 164 A CB -0.346 18.617 19.000 -0.062 0.000 0.815 164 A HN 0.745 nan 8.150 nan 0.000 0.443 165 D N -0.349 120.030 120.400 -0.034 0.000 2.144 165 D HA -0.103 4.530 4.640 -0.010 0.000 0.199 165 D C 2.152 178.450 176.300 -0.003 0.000 0.984 165 D CA 0.962 54.953 54.000 -0.016 0.000 0.834 165 D CB -0.319 40.475 40.800 -0.010 0.000 0.955 165 D HN 0.429 nan 8.370 nan 0.000 0.465 166 R N 0.259 120.757 120.500 -0.002 0.000 2.092 166 R HA -0.026 4.308 4.340 -0.010 0.000 0.231 166 R C 2.333 178.651 176.300 0.030 0.000 1.119 166 R CA 0.544 56.659 56.100 0.024 0.000 0.970 166 R CB -0.236 30.082 30.300 0.030 0.000 0.864 166 R HN 0.096 nan 8.270 nan 0.000 0.440 167 V N 0.943 120.856 119.914 -0.002 0.000 2.358 167 V HA -0.199 3.915 4.120 -0.010 0.000 0.246 167 V C 2.440 178.550 176.094 0.025 0.000 1.047 167 V CA 1.922 64.232 62.300 0.017 0.000 1.035 167 V CB -0.647 31.161 31.823 -0.025 0.000 0.658 167 V HN 0.370 nan 8.190 nan 0.000 0.452 168 A N 0.048 122.871 122.820 0.005 0.000 1.933 168 A HA -0.095 4.219 4.320 -0.010 0.000 0.218 168 A C 2.413 180.007 177.584 0.017 0.000 1.175 168 A CA 2.011 54.050 52.037 0.003 0.000 0.628 168 A CB -0.708 18.286 19.000 -0.010 0.000 0.814 168 A HN 0.558 nan 8.150 nan 0.000 0.444 169 A N -0.110 122.727 122.820 0.030 0.000 1.902 169 A HA 0.173 4.487 4.320 -0.010 0.000 0.217 169 A C 2.499 180.134 177.584 0.086 0.000 1.181 169 A CA 2.019 54.086 52.037 0.050 0.000 0.623 169 A CB -0.984 18.052 19.000 0.060 0.000 0.818 169 A HN 1.037 nan 8.150 nan 0.000 0.443 170 A N -1.110 121.767 122.820 0.095 0.000 1.933 170 A HA -0.162 4.152 4.320 -0.010 0.000 0.218 170 A C 2.277 179.918 177.584 0.096 0.000 1.175 170 A CA 1.677 53.787 52.037 0.122 0.000 0.628 170 A CB -1.205 17.855 19.000 0.100 0.000 0.814 170 A HN 0.592 nan 8.150 nan 0.000 0.444 171 C N -1.204 118.127 119.300 0.052 0.000 2.435 171 C HA 0.152 4.606 4.460 -0.010 0.000 0.279 171 C C 3.250 178.252 174.990 0.021 0.000 1.321 171 C CA 0.701 59.733 59.018 0.023 0.000 1.752 171 C CB -1.154 26.584 27.740 -0.004 0.000 1.959 171 C HN 0.697 nan 8.230 nan 0.000 0.500 172 A N 0.261 123.093 122.820 0.021 0.000 1.970 172 A HA 0.254 4.568 4.320 -0.010 0.000 0.216 172 A C 2.317 179.903 177.584 0.004 0.000 1.170 172 A CA 1.535 53.572 52.037 -0.000 0.000 0.645 172 A CB -0.672 18.317 19.000 -0.018 0.000 0.816 172 A HN 0.506 nan 8.150 nan 0.000 0.447 173 A N -0.215 122.638 122.820 0.054 0.000 1.883 173 A HA -0.054 4.260 4.320 -0.010 0.000 0.217 173 A C 2.201 179.876 177.584 0.152 0.000 1.186 173 A CA 1.914 53.997 52.037 0.076 0.000 0.624 173 A CB -1.012 18.124 19.000 0.227 0.000 0.822 173 A HN 0.384 nan 8.150 nan 0.000 0.444 174 V N 0.700 120.724 119.914 0.183 0.000 2.343 174 V HA -0.249 3.865 4.120 -0.010 0.000 0.247 174 V C 2.111 178.248 176.094 0.071 0.000 1.051 174 V CA 2.320 64.716 62.300 0.161 0.000 1.036 174 V CB -0.887 30.986 31.823 0.083 0.000 0.654 174 V HN 0.492 nan 8.190 nan 0.000 0.451 175 D N -1.111 119.302 120.400 0.022 0.000 2.218 175 D HA -0.177 4.457 4.640 -0.010 0.000 0.204 175 D C 2.020 178.296 176.300 -0.041 0.000 0.976 175 D CA 1.583 55.573 54.000 -0.017 0.000 0.853 175 D CB -0.216 40.569 40.800 -0.025 0.000 0.939 175 D HN 0.672 nan 8.370 nan 0.000 0.481 176 H N -0.817 118.131 119.070 -0.203 0.000 2.343 176 H HA 0.006 4.556 4.556 -0.010 0.000 0.303 176 H C 1.532 176.614 175.328 -0.410 0.000 1.068 176 H CA 1.295 57.114 56.048 -0.381 0.000 1.359 176 H CB -0.278 29.104 29.762 -0.634 0.000 1.402 176 H HN 0.010 nan 8.280 nan 0.000 0.515 177 F N -0.373 119.444 119.950 -0.223 0.000 2.416 177 F HA 0.162 4.683 4.527 -0.010 0.000 0.296 177 F C 0.690 176.417 175.800 -0.123 0.000 1.099 177 F CA 0.333 58.190 58.000 -0.239 0.000 1.427 177 F CB 0.524 39.480 39.000 -0.074 0.000 1.079 177 F HN -0.043 nan 8.300 nan 0.000 0.536 178 V N 2.447 122.402 119.914 0.068 0.000 2.320 178 V HA 0.271 4.385 4.120 -0.010 0.000 0.257 178 V C -2.309 173.769 176.094 -0.028 0.000 0.996 178 V CA -1.647 60.668 62.300 0.025 0.000 0.928 178 V CB 0.051 31.897 31.823 0.039 0.000 1.169 178 V HN -0.143 nan 8.190 nan 0.000 0.475 179 P HA 0.258 nan 4.420 nan 0.000 0.274 179 P C 0.315 177.582 177.300 -0.055 0.000 1.246 179 P CA -0.182 62.877 63.100 -0.068 0.000 0.795 179 P CB 1.426 33.070 31.700 -0.093 0.000 1.006 180 D N 0.967 121.337 120.400 -0.050 0.000 2.172 180 D HA -0.191 4.443 4.640 -0.010 0.000 0.196 180 D C 1.928 178.202 176.300 -0.044 0.000 0.999 180 D CA 2.076 56.050 54.000 -0.043 0.000 0.856 180 D CB -0.822 39.956 40.800 -0.038 0.000 0.934 180 D HN 0.443 nan 8.370 nan 0.000 0.453 181 A N 0.431 123.220 122.820 -0.051 0.000 2.070 181 A HA -0.143 4.171 4.320 -0.010 0.000 0.220 181 A C 2.042 179.590 177.584 -0.060 0.000 1.159 181 A CA 0.949 52.954 52.037 -0.054 0.000 0.656 181 A CB -0.365 18.598 19.000 -0.061 0.000 0.800 181 A HN 0.103 nan 8.150 nan 0.000 0.453 182 M N -0.940 118.623 119.600 -0.061 0.000 2.460 182 M HA 0.083 4.556 4.480 -0.010 0.000 0.263 182 M C 1.124 177.397 176.300 -0.045 0.000 1.071 182 M CA 1.130 56.392 55.300 -0.064 0.000 1.096 182 M CB -0.735 31.834 32.600 -0.052 0.000 1.408 182 M HN 0.380 nan 8.290 nan 0.000 0.463 183 L N -1.554 119.650 121.223 -0.033 0.000 3.069 183 L HA 0.240 4.573 4.340 -0.010 0.000 0.271 183 L C 1.573 178.435 176.870 -0.013 0.000 1.201 183 L CA -0.466 54.364 54.840 -0.017 0.000 1.015 183 L CB -0.152 41.894 42.059 -0.022 0.000 1.371 183 L HN 0.209 nan 8.230 nan 0.000 0.574 184 G N 1.052 109.840 108.800 -0.020 0.000 1.969 184 G HA2 -0.116 3.838 3.960 -0.010 0.000 0.228 184 G HA3 -0.116 3.838 3.960 -0.010 0.000 0.228 184 G C 0.668 175.573 174.900 0.007 0.000 1.464 184 G CA 0.337 45.428 45.100 -0.014 0.000 1.035 184 G HN 0.402 nan 8.290 nan 0.000 0.390 185 A N -1.238 121.578 122.820 -0.006 0.000 2.567 185 A HA 0.247 4.561 4.320 -0.010 0.000 0.240 185 A C -0.291 177.312 177.584 0.033 0.000 1.053 185 A CA 0.071 52.112 52.037 0.006 0.000 0.755 185 A CB -0.260 18.721 19.000 -0.031 0.000 0.978 185 A HN 0.725 nan 8.150 nan 0.000 0.507 186 Y N 3.142 123.392 120.300 -0.083 0.000 2.724 186 Y HA 0.480 5.024 4.550 -0.010 0.000 0.332 186 Y C 0.607 176.447 175.900 -0.101 0.000 1.276 186 Y CA 0.789 58.834 58.100 -0.091 0.000 1.597 186 Y CB 0.056 38.464 38.460 -0.087 0.000 1.584 186 Y HN 0.782 nan 8.280 nan 0.000 0.478 187 T N 1.538 115.898 114.554 -0.324 0.000 2.802 187 T HA 0.539 4.883 4.350 -0.010 0.000 0.311 187 T C 0.294 174.803 174.700 -0.317 0.000 1.405 187 T CA 0.181 62.103 62.100 -0.296 0.000 1.016 187 T CB 0.615 69.383 68.868 -0.166 0.000 1.352 187 T HN 0.925 nan 8.240 nan 0.000 0.498 188 G N 1.927 110.546 108.800 -0.301 0.000 2.574 188 G HA2 -0.340 3.614 3.960 -0.010 0.000 0.301 188 G HA3 -0.340 3.614 3.960 -0.010 0.000 0.301 188 G C 1.107 175.776 174.900 -0.385 0.000 1.166 188 G CA 1.605 46.517 45.100 -0.314 0.000 0.971 188 G HN 1.902 nan 8.290 nan 0.000 0.542 189 T N -2.459 111.799 114.554 -0.493 0.000 3.169 189 T HA 0.523 4.867 4.350 -0.010 0.000 0.250 189 T C 1.253 175.712 174.700 -0.401 0.000 1.111 189 T CA 1.541 63.242 62.100 -0.664 0.000 1.010 189 T CB 0.418 68.487 68.868 -1.331 0.000 0.984 189 T HN 1.223 nan 8.240 nan 0.000 0.537 190 S N 2.016 117.527 115.700 -0.314 0.000 2.499 190 S HA 0.406 4.870 4.470 -0.010 0.000 0.238 190 S C 0.108 174.529 174.600 -0.297 0.000 1.205 190 S CA -0.606 57.472 58.200 -0.204 0.000 1.203 190 S CB -0.363 62.748 63.200 -0.148 0.000 0.954 190 S HN 0.777 nan 8.310 nan 0.000 0.484 191 T N -2.150 112.195 114.554 -0.349 0.000 2.916 191 T HA 0.770 5.114 4.350 -0.010 0.000 0.292 191 T C 0.959 175.575 174.700 -0.140 0.000 1.055 191 T CA 0.154 61.923 62.100 -0.552 0.000 1.009 191 T CB 1.128 69.532 68.868 -0.773 0.000 1.118 191 T HN 0.748 nan 8.240 nan 0.000 0.497 192 G N 1.793 110.621 108.800 0.046 0.000 2.622 192 G HA2 -0.166 3.788 3.960 -0.010 0.000 0.307 192 G HA3 -0.166 3.788 3.960 -0.010 0.000 0.307 192 G C 1.328 176.352 174.900 0.207 0.000 1.226 192 G CA 1.319 46.515 45.100 0.160 0.000 0.997 192 G HN 1.875 nan 8.290 nan 0.000 0.551 193 A N -0.398 122.577 122.820 0.259 0.000 1.933 193 A HA -0.078 4.236 4.320 -0.010 0.000 0.218 193 A C 2.236 179.966 177.584 0.243 0.000 1.175 193 A CA 2.487 54.692 52.037 0.280 0.000 0.628 193 A CB -0.564 18.669 19.000 0.388 0.000 0.814 193 A HN 0.671 nan 8.150 nan 0.000 0.444 194 N N -0.221 118.624 118.700 0.241 0.000 2.084 194 N HA -0.182 4.551 4.740 -0.010 0.000 0.190 194 N C 1.846 177.448 175.510 0.153 0.000 1.030 194 N CA 1.662 54.867 53.050 0.259 0.000 0.849 194 N CB -0.497 38.169 38.487 0.299 0.000 1.012 194 N HN 0.496 nan 8.380 nan 0.000 0.423 195 R N 1.462 122.025 120.500 0.105 0.000 2.096 195 R HA -0.043 4.290 4.340 -0.010 0.000 0.240 195 R C 1.917 178.261 176.300 0.073 0.000 1.139 195 R CA 1.208 57.361 56.100 0.088 0.000 0.952 195 R CB -0.918 29.481 30.300 0.165 0.000 0.854 195 R HN 0.061 nan 8.270 nan 0.000 0.436 196 V N 1.176 121.143 119.914 0.089 0.000 2.343 196 V HA -0.220 3.894 4.120 -0.010 0.000 0.247 196 V C 1.826 177.945 176.094 0.040 0.000 1.051 196 V CA 2.245 64.580 62.300 0.060 0.000 1.036 196 V CB -0.594 31.273 31.823 0.074 0.000 0.654 196 V HN 0.349 nan 8.190 nan 0.000 0.451 197 D N 0.053 120.491 120.400 0.062 0.000 2.144 197 D HA -0.102 4.532 4.640 -0.010 0.000 0.199 197 D C 2.145 178.432 176.300 -0.023 0.000 0.984 197 D CA 1.140 55.152 54.000 0.021 0.000 0.834 197 D CB -0.155 40.670 40.800 0.042 0.000 0.955 197 D HN 0.350 nan 8.370 nan 0.000 0.465 198 L N 0.146 121.373 121.223 0.006 0.000 2.046 198 L HA -0.192 4.142 4.340 -0.010 0.000 0.208 198 L C 2.715 179.563 176.870 -0.036 0.000 1.077 198 L CA 0.829 55.662 54.840 -0.012 0.000 0.747 198 L CB -0.452 41.616 42.059 0.014 0.000 0.896 198 L HN 0.110 nan 8.230 nan 0.000 0.432 199 C N -0.453 118.831 119.300 -0.026 0.000 2.422 199 C HA -0.121 4.333 4.460 -0.010 0.000 0.279 199 C C 2.928 177.870 174.990 -0.080 0.000 1.305 199 C CA 0.480 59.473 59.018 -0.042 0.000 1.757 199 C CB -1.029 26.700 27.740 -0.018 0.000 1.962 199 C HN 0.424 nan 8.230 nan 0.000 0.499 200 R N 0.679 121.131 120.500 -0.079 0.000 2.080 200 R HA -0.139 4.195 4.340 -0.010 0.000 0.236 200 R C 2.426 178.601 176.300 -0.208 0.000 1.137 200 R CA 1.923 57.941 56.100 -0.136 0.000 0.943 200 R CB -0.492 29.763 30.300 -0.074 0.000 0.846 200 R HN 0.446 nan 8.270 nan 0.000 0.431 201 S N 0.068 115.671 115.700 -0.160 0.000 2.368 201 S HA -0.080 4.384 4.470 -0.010 0.000 0.224 201 S C 2.074 176.578 174.600 -0.160 0.000 1.029 201 S CA 1.075 59.173 58.200 -0.170 0.000 0.988 201 S CB -0.049 63.077 63.200 -0.122 0.000 0.838 201 S HN 0.075 nan 8.310 nan 0.000 0.462 202 V N 2.084 121.922 119.914 -0.126 0.000 2.343 202 V HA -0.197 3.917 4.120 -0.010 0.000 0.247 202 V C 2.635 178.630 176.094 -0.164 0.000 1.051 202 V CA 1.657 63.885 62.300 -0.119 0.000 1.036 202 V CB -1.238 30.532 31.823 -0.087 0.000 0.654 202 V HN 0.524 nan 8.190 nan 0.000 0.451 203 A N -0.074 122.633 122.820 -0.188 0.000 1.865 203 A HA -0.184 4.130 4.320 -0.010 0.000 0.217 203 A C 2.195 179.600 177.584 -0.298 0.000 1.191 203 A CA 1.805 53.701 52.037 -0.236 0.000 0.623 203 A CB -0.600 18.271 19.000 -0.215 0.000 0.826 203 A HN 0.389 nan 8.150 nan 0.000 0.444 204 L N -0.552 120.450 121.223 -0.369 0.000 2.093 204 L HA -0.117 4.217 4.340 -0.010 0.000 0.208 204 L C 2.670 179.387 176.870 -0.254 0.000 1.085 204 L CA 1.729 56.325 54.840 -0.407 0.000 0.755 204 L CB -1.176 40.555 42.059 -0.548 0.000 0.904 204 L HN 0.523 nan 8.230 nan 0.000 0.435 205 R N 0.512 120.892 120.500 -0.200 0.000 2.105 205 R HA -0.149 4.185 4.340 -0.010 0.000 0.239 205 R C 2.048 178.258 176.300 -0.150 0.000 1.135 205 R CA 1.643 57.662 56.100 -0.136 0.000 0.967 205 R CB -0.490 29.750 30.300 -0.100 0.000 0.861 205 R HN 0.368 nan 8.270 nan 0.000 0.442 206 G N 0.219 108.904 108.800 -0.192 0.000 2.402 206 G HA2 -0.168 3.785 3.960 -0.010 0.000 0.216 206 G HA3 -0.168 3.785 3.960 -0.010 0.000 0.216 206 G C 1.586 176.347 174.900 -0.231 0.000 1.162 206 G CA 0.762 45.725 45.100 -0.227 0.000 0.777 206 G HN 0.219 nan 8.290 nan 0.000 0.539 207 V N 0.917 120.711 119.914 -0.201 0.000 2.261 207 V HA -0.132 3.981 4.120 -0.010 0.000 0.246 207 V C 2.889 178.913 176.094 -0.117 0.000 1.047 207 V CA 1.612 63.851 62.300 -0.102 0.000 1.015 207 V CB -0.427 31.313 31.823 -0.139 0.000 0.642 207 V HN 0.330 nan 8.190 nan 0.000 0.446 208 L N 0.135 121.284 121.223 -0.123 0.000 2.179 208 L HA 0.067 4.401 4.340 -0.010 0.000 0.208 208 L C 2.331 179.208 176.870 0.011 0.000 1.096 208 L CA 1.390 56.206 54.840 -0.040 0.000 0.779 208 L CB -0.742 41.328 42.059 0.019 0.000 0.922 208 L HN 0.469 nan 8.230 nan 0.000 0.443 209 G N -0.876 107.876 108.800 -0.081 0.000 3.042 209 G HA2 0.013 3.966 3.960 -0.010 0.000 0.212 209 G HA3 0.013 3.966 3.960 -0.010 0.000 0.212 209 G C 0.552 175.316 174.900 -0.226 0.000 1.166 209 G CA -0.425 44.615 45.100 -0.099 0.000 0.767 209 G HN 0.311 nan 8.290 nan 0.000 0.546 210 R N -1.127 119.117 120.500 -0.426 0.000 3.264 210 R HA -0.177 4.157 4.340 -0.010 0.000 0.251 210 R C 0.136 176.056 176.300 -0.634 0.000 0.971 210 R CA 0.393 55.908 56.100 -0.976 0.000 0.658 210 R CB -2.068 27.758 30.300 -0.791 0.000 1.095 210 R HN 0.442 nan 8.270 nan 0.000 0.443 211 A N 0.532 123.109 122.820 -0.406 0.000 2.664 211 A HA 0.473 4.787 4.320 -0.010 0.000 0.338 211 A C -1.389 176.103 177.584 -0.155 0.000 1.280 211 A CA -1.357 50.558 52.037 -0.204 0.000 0.809 211 A CB 0.728 19.635 19.000 -0.156 0.000 1.114 211 A HN 0.038 nan 8.150 nan 0.000 0.479 212 P HA -0.172 nan 4.420 nan 0.000 0.220 212 P C 1.495 178.771 177.300 -0.040 0.000 1.148 212 P CA 1.752 64.868 63.100 0.028 0.000 0.803 212 P CB 0.269 32.241 31.700 0.453 0.000 0.782 213 A N 0.550 123.373 122.820 0.006 0.000 1.969 213 A HA -0.152 4.162 4.320 -0.010 0.000 0.218 213 A C 2.239 179.789 177.584 -0.057 0.000 1.169 213 A CA 1.365 53.408 52.037 0.010 0.000 0.635 213 A CB -0.799 18.209 19.000 0.013 0.000 0.810 213 A HN 0.040 nan 8.150 nan 0.000 0.445 214 K N 0.027 120.360 120.400 -0.112 0.000 2.057 214 K HA -0.032 4.282 4.320 -0.010 0.000 0.206 214 K C 1.851 178.334 176.600 -0.195 0.000 1.050 214 K CA 1.359 57.565 56.287 -0.134 0.000 0.935 214 K CB -0.571 31.844 32.500 -0.142 0.000 0.715 214 K HN 0.634 nan 8.250 nan 0.000 0.439 215 I N 1.126 121.487 120.570 -0.349 0.000 2.179 215 I HA -0.256 3.908 4.170 -0.010 0.000 0.242 215 I C 2.545 178.494 176.117 -0.281 0.000 1.088 215 I CA 1.230 62.241 61.300 -0.482 0.000 1.357 215 I CB -0.611 36.742 38.000 -1.079 0.000 1.051 215 I HN 0.022 nan 8.210 nan 0.000 0.409 216 A N 1.084 123.806 122.820 -0.164 0.000 1.908 216 A HA -0.227 4.087 4.320 -0.010 0.000 0.218 216 A C 2.304 179.928 177.584 0.068 0.000 1.181 216 A CA 1.739 53.870 52.037 0.156 0.000 0.627 216 A CB -0.816 18.332 19.000 0.248 0.000 0.818 216 A HN 0.414 nan 8.150 nan 0.000 0.445 217 L N -0.322 120.903 121.223 0.003 0.000 2.046 217 L HA -0.039 4.295 4.340 -0.010 0.000 0.208 217 L C 2.657 179.519 176.870 -0.014 0.000 1.077 217 L CA 2.224 57.060 54.840 -0.006 0.000 0.747 217 L CB -0.790 41.254 42.059 -0.026 0.000 0.896 217 L HN 0.334 nan 8.230 nan 0.000 0.432 218 A N -0.113 122.685 122.820 -0.037 0.000 1.883 218 A HA -0.266 4.048 4.320 -0.010 0.000 0.217 218 A C 2.557 180.150 177.584 0.016 0.000 1.186 218 A CA 1.923 53.942 52.037 -0.031 0.000 0.624 218 A CB -0.757 18.200 19.000 -0.071 0.000 0.822 218 A HN 0.550 nan 8.150 nan 0.000 0.444 219 R N -0.298 120.235 120.500 0.056 0.000 2.080 219 R HA -0.198 4.136 4.340 -0.010 0.000 0.236 219 R C 1.387 177.739 176.300 0.086 0.000 1.137 219 R CA 2.117 58.290 56.100 0.121 0.000 0.943 219 R CB -0.542 29.869 30.300 0.186 0.000 0.846 219 R HN 0.443 nan 8.270 nan 0.000 0.431 220 D N 0.244 120.680 120.400 0.061 0.000 2.178 220 D HA -0.104 4.530 4.640 -0.010 0.000 0.201 220 D C 1.582 177.865 176.300 -0.029 0.000 0.980 220 D CA 1.365 55.381 54.000 0.027 0.000 0.842 220 D CB -0.143 40.672 40.800 0.025 0.000 0.948 220 D HN 0.438 nan 8.370 nan 0.000 0.472 221 A N 0.284 123.084 122.820 -0.032 0.000 2.168 221 A HA 0.008 4.322 4.320 -0.010 0.000 0.215 221 A C 2.208 179.717 177.584 -0.126 0.000 1.152 221 A CA 0.287 52.286 52.037 -0.063 0.000 0.716 221 A CB -0.472 18.511 19.000 -0.028 0.000 0.794 221 A HN 0.191 nan 8.150 nan 0.000 0.465 222 L N -0.733 120.407 121.223 -0.140 0.000 2.291 222 L HA -0.099 4.235 4.340 -0.010 0.000 0.214 222 L C 2.611 179.038 176.870 -0.738 0.000 1.120 222 L CA 0.912 55.574 54.840 -0.296 0.000 0.799 222 L CB -0.346 41.665 42.059 -0.080 0.000 0.925 222 L HN 0.300 nan 8.230 nan 0.000 0.446 223 S N 0.355 115.752 115.700 -0.505 0.000 2.383 223 S HA -0.084 4.380 4.470 -0.010 0.000 0.229 223 S C -0.606 173.643 174.600 -0.584 0.000 1.030 223 S CA 1.487 59.372 58.200 -0.524 0.000 1.002 223 S CB -0.918 62.191 63.200 -0.153 0.000 0.829 223 S HN 0.374 nan 8.310 nan 0.000 0.467 224 P HA 0.108 nan 4.420 nan 0.000 0.233 224 P C 1.215 178.046 177.300 -0.782 0.000 1.167 224 P CA 0.493 63.157 63.100 -0.728 0.000 0.770 224 P CB -0.175 30.893 31.700 -1.053 0.000 0.837 225 V N -1.016 118.523 119.914 -0.624 0.000 2.626 225 V HA -0.190 3.924 4.120 -0.010 0.000 0.252 225 V C 2.114 178.190 176.094 -0.031 0.000 1.067 225 V CA 1.646 63.797 62.300 -0.249 0.000 1.081 225 V CB -1.338 30.369 31.823 -0.193 0.000 0.686 225 V HN -0.036 nan 8.190 nan 0.000 0.468 226 F N -0.340 119.599 119.950 -0.019 0.000 2.219 226 F HA 0.190 4.712 4.527 -0.009 0.000 0.294 226 F C -0.927 174.825 175.800 -0.080 0.000 1.086 226 F CA -1.477 56.521 58.000 -0.003 0.000 1.330 226 F CB -2.282 36.717 39.000 -0.003 0.000 1.047 226 F HN 0.237 nan 8.300 nan 0.000 0.495 227 P HA -0.062 nan 4.420 nan 0.000 0.269 227 P C -0.763 176.534 177.300 -0.004 0.000 1.209 227 P CA -0.015 63.063 63.100 -0.037 0.000 0.776 227 P CB 0.118 31.797 31.700 -0.035 0.000 0.876 228 Y N 0.661 120.989 120.300 0.046 0.000 2.597 228 Y HA 0.189 4.732 4.550 -0.011 0.000 0.336 228 Y C 1.188 177.025 175.900 -0.105 0.000 1.216 228 Y CA -0.378 57.718 58.100 -0.006 0.000 1.463 228 Y CB -0.307 38.172 38.460 0.032 0.000 1.303 228 Y HN 0.110 nan 8.280 nan 0.000 0.576 229 V N -0.550 119.301 119.914 -0.105 0.000 2.919 229 V HA 0.684 4.797 4.120 -0.010 0.000 0.316 229 V C 0.339 176.156 176.094 -0.461 0.000 1.077 229 V CA -0.249 61.875 62.300 -0.293 0.000 0.977 229 V CB 1.775 33.366 31.823 -0.387 0.000 1.039 229 V HN 0.837 nan 8.190 nan 0.000 0.441 230 T N -1.501 112.923 114.554 -0.216 0.000 3.010 230 T HA 0.366 4.709 4.350 -0.010 0.000 0.257 230 T C 0.247 175.012 174.700 0.107 0.000 1.020 230 T CA 0.365 62.454 62.100 -0.018 0.000 0.938 230 T CB -0.353 68.545 68.868 0.051 0.000 1.049 230 T HN 1.055 nan 8.240 nan 0.000 0.522 231 K N -0.241 120.156 120.400 -0.005 0.000 2.575 231 K HA 0.627 4.941 4.320 -0.010 0.000 0.279 231 K C 0.326 176.932 176.600 0.010 0.000 0.969 231 K CA -0.638 55.709 56.287 0.100 0.000 0.868 231 K CB 1.066 33.603 32.500 0.062 0.000 1.457 231 K HN 0.267 nan 8.250 nan 0.000 0.426 232 G N 1.267 110.079 108.800 0.021 0.000 2.569 232 G HA2 -0.214 3.740 3.960 -0.010 0.000 0.259 232 G HA3 -0.214 3.740 3.960 -0.010 0.000 0.259 232 G C -1.182 173.664 174.900 -0.090 0.000 1.263 232 G CA 0.228 45.259 45.100 -0.116 0.000 0.928 232 G HN 0.795 nan 8.290 nan 0.000 0.572 233 D N 1.817 122.109 120.400 -0.180 0.000 2.382 233 D HA 0.561 5.195 4.640 -0.010 0.000 0.245 233 D C 0.930 177.115 176.300 -0.192 0.000 1.120 233 D CA 1.822 55.693 54.000 -0.214 0.000 0.890 233 D CB 0.871 41.524 40.800 -0.246 0.000 1.201 233 D HN 1.783 nan 8.370 nan 0.000 0.433 234 G N 0.113 108.729 108.800 -0.307 0.000 2.334 234 G HA2 -0.005 3.949 3.960 -0.010 0.000 0.315 234 G HA3 -0.005 3.949 3.960 -0.010 0.000 0.315 234 G C -1.281 173.542 174.900 -0.128 0.000 1.284 234 G CA -1.055 43.928 45.100 -0.195 0.000 0.985 234 G HN 0.403 nan 8.290 nan 0.000 0.504 235 L N 0.394 121.722 121.223 0.174 0.000 2.349 235 L HA 0.555 4.889 4.340 -0.010 0.000 0.275 235 L C -0.060 176.963 176.870 0.254 0.000 1.115 235 L CA -0.568 54.491 54.840 0.365 0.000 0.820 235 L CB 0.742 43.104 42.059 0.505 0.000 1.135 235 L HN 0.559 nan 8.230 nan 0.000 0.445 236 Y N 0.309 120.679 120.300 0.117 0.000 2.534 236 Y HA 0.327 4.870 4.550 -0.011 0.000 0.329 236 Y C 1.086 176.794 175.900 -0.320 0.000 1.154 236 Y CA -0.503 57.594 58.100 -0.004 0.000 1.192 236 Y CB 1.712 40.173 38.460 0.002 0.000 1.275 236 Y HN 0.655 nan 8.280 nan 0.000 0.491 237 A N 0.386 122.994 122.820 -0.353 0.000 1.978 237 A HA -0.220 4.094 4.320 -0.010 0.000 0.220 237 A C 1.515 179.031 177.584 -0.114 0.000 1.170 237 A CA 2.066 53.719 52.037 -0.641 0.000 0.636 237 A CB -0.714 18.128 19.000 -0.264 0.000 0.810 237 A HN 0.858 nan 8.150 nan 0.000 0.448 238 D N -2.419 118.012 120.400 0.051 0.000 2.349 238 D HA 0.277 4.911 4.640 -0.010 0.000 0.224 238 D C 1.129 177.460 176.300 0.052 0.000 1.029 238 D CA 1.003 55.075 54.000 0.120 0.000 0.879 238 D CB -0.433 40.397 40.800 0.050 0.000 0.906 238 D HN 0.784 nan 8.370 nan 0.000 0.528 239 G N -0.681 108.162 108.800 0.071 0.000 2.179 239 G HA2 -0.240 3.714 3.960 -0.010 0.000 0.220 239 G HA3 -0.240 3.714 3.960 -0.010 0.000 0.220 239 G C 0.338 175.320 174.900 0.138 0.000 0.990 239 G CA 0.114 45.209 45.100 -0.008 0.000 0.646 239 G HN 0.407 nan 8.290 nan 0.000 0.517 240 S N -0.252 115.557 115.700 0.181 0.000 2.593 240 S HA 0.645 5.108 4.470 -0.010 0.000 0.269 240 S C -0.564 174.119 174.600 0.139 0.000 1.334 240 S CA 0.150 58.356 58.200 0.010 0.000 1.015 240 S CB 1.271 64.381 63.200 -0.149 0.000 0.912 240 S HN 0.795 nan 8.310 nan 0.000 0.541 241 F N 2.014 121.898 119.950 -0.111 0.000 2.562 241 F HA 0.567 5.088 4.527 -0.010 0.000 0.319 241 F C -1.121 174.715 175.800 0.059 0.000 1.154 241 F CA -0.568 57.440 58.000 0.013 0.000 0.931 241 F CB 0.972 39.909 39.000 -0.104 0.000 1.198 241 F HN 0.276 nan 8.300 nan 0.000 0.444 242 V N 5.593 125.222 119.914 -0.475 0.000 2.604 242 V HA 0.596 4.710 4.120 -0.010 0.000 0.305 242 V C -0.836 175.009 176.094 -0.416 0.000 1.043 242 V CA -0.544 61.618 62.300 -0.230 0.000 0.888 242 V CB 1.822 33.636 31.823 -0.016 0.000 0.995 242 V HN 0.780 nan 8.190 nan 0.000 0.429 243 Q N 1.337 121.051 119.800 -0.144 0.000 2.456 243 Q HA 0.518 4.852 4.340 -0.010 0.000 0.283 243 Q C -0.142 175.809 176.000 -0.081 0.000 1.084 243 Q CA -0.470 55.186 55.803 -0.244 0.000 0.801 243 Q CB 1.351 29.814 28.738 -0.458 0.000 1.434 243 Q HN 0.832 nan 8.270 nan 0.000 0.419 244 H N 1.573 120.508 119.070 -0.225 0.000 2.791 244 H HA -0.256 4.294 4.556 -0.010 0.000 0.302 244 H C -0.144 175.032 175.328 -0.254 0.000 1.198 244 H CA 0.396 56.347 56.048 -0.161 0.000 1.145 244 H CB -1.407 28.398 29.762 0.071 0.000 1.385 244 H HN 0.933 nan 8.280 nan 0.000 0.409 245 T N -3.875 110.492 114.554 -0.312 0.000 12.127 245 T HA -0.298 4.045 4.350 -0.010 0.000 0.407 245 T C 0.700 175.032 174.700 -0.613 0.000 1.530 245 T CA 1.929 63.601 62.100 -0.714 0.000 2.499 245 T CB -1.058 66.879 68.868 -1.551 0.000 2.756 245 T HN 0.677 nan 8.240 nan 0.000 0.804 246 W N 0.778 122.120 121.300 0.070 0.000 2.304 246 W HA 0.602 5.256 4.660 -0.010 0.000 0.326 246 W C -0.463 176.072 176.519 0.026 0.000 0.920 246 W CA -0.273 57.099 57.345 0.044 0.000 1.518 246 W CB 0.407 29.892 29.460 0.042 0.000 1.112 246 W HN 0.122 nan 8.180 nan 0.000 0.528 247 V N 1.537 121.574 119.914 0.204 0.000 2.448 247 V HA 0.618 4.732 4.120 -0.010 0.000 0.295 247 V C 0.482 176.571 176.094 -0.010 0.000 1.025 247 V CA -1.006 61.339 62.300 0.076 0.000 0.859 247 V CB 1.116 32.976 31.823 0.062 0.000 0.988 247 V HN 0.013 nan 8.190 nan 0.000 0.431 248 A N 4.084 126.849 122.820 -0.090 0.000 2.491 248 A HA 0.487 4.801 4.320 -0.010 0.000 0.261 248 A C -0.253 177.284 177.584 -0.079 0.000 1.101 248 A CA 0.384 52.381 52.037 -0.067 0.000 0.772 248 A CB -0.366 18.584 19.000 -0.082 0.000 1.043 248 A HN 0.986 nan 8.150 nan 0.000 0.501 249 Y N 1.614 121.987 120.300 0.123 0.000 2.863 249 Y HA 0.036 4.579 4.550 -0.011 0.000 0.254 249 Y C 1.711 177.776 175.900 0.275 0.000 1.124 249 Y CA 0.014 58.248 58.100 0.222 0.000 1.203 249 Y CB 0.692 39.326 38.460 0.290 0.000 1.269 249 Y HN 0.743 nan 8.280 nan 0.000 0.586 250 S N -0.403 115.457 115.700 0.267 0.000 2.402 250 S HA -0.211 4.253 4.470 -0.010 0.000 0.233 250 S C 2.135 176.731 174.600 -0.006 0.000 1.030 250 S CA 1.569 59.744 58.200 -0.042 0.000 1.003 250 S CB -0.265 62.781 63.200 -0.257 0.000 0.813 250 S HN 0.718 nan 8.310 nan 0.000 0.477 251 G N 0.793 109.614 108.800 0.035 0.000 2.551 251 G HA2 0.015 3.969 3.960 -0.010 0.000 0.216 251 G HA3 0.015 3.969 3.960 -0.010 0.000 0.216 251 G C 1.381 176.236 174.900 -0.076 0.000 1.137 251 G CA 1.306 46.392 45.100 -0.024 0.000 0.798 251 G HN 0.638 nan 8.290 nan 0.000 0.536 252 T N -3.160 111.362 114.554 -0.054 0.000 3.330 252 T HA 0.105 4.448 4.350 -0.010 0.000 0.240 252 T C 1.941 176.477 174.700 -0.274 0.000 0.988 252 T CA 0.165 62.132 62.100 -0.222 0.000 1.253 252 T CB -0.352 68.306 68.868 -0.351 0.000 1.163 252 T HN 0.033 nan 8.240 nan 0.000 0.382 253 Y N 2.431 122.592 120.300 -0.232 0.000 2.151 253 Y HA 0.074 4.618 4.550 -0.011 0.000 0.284 253 Y C 2.975 178.795 175.900 -0.134 0.000 1.166 253 Y CA 1.563 59.567 58.100 -0.160 0.000 1.163 253 Y CB -0.939 37.398 38.460 -0.206 0.000 0.974 253 Y HN 0.484 nan 8.280 nan 0.000 0.511 254 G N -0.955 107.716 108.800 -0.215 0.000 2.422 254 G HA2 -0.249 3.705 3.960 -0.010 0.000 0.218 254 G HA3 -0.249 3.705 3.960 -0.010 0.000 0.218 254 G C 1.594 176.350 174.900 -0.240 0.000 1.140 254 G CA 0.742 45.430 45.100 -0.688 0.000 0.775 254 G HN 0.297 nan 8.290 nan 0.000 0.545 255 Q N 0.578 120.266 119.800 -0.185 0.000 2.079 255 Q HA -0.073 4.261 4.340 -0.010 0.000 0.200 255 Q C 2.743 178.642 176.000 -0.167 0.000 0.974 255 Q CA 1.391 57.054 55.803 -0.232 0.000 0.840 255 Q CB -0.370 28.264 28.738 -0.173 0.000 0.898 255 Q HN 0.336 nan 8.270 nan 0.000 0.430 256 V N 1.482 121.331 119.914 -0.108 0.000 2.287 256 V HA -0.309 3.804 4.120 -0.010 0.000 0.248 256 V C 2.615 178.706 176.094 -0.005 0.000 1.053 256 V CA 2.111 64.388 62.300 -0.039 0.000 1.027 256 V CB -0.695 31.131 31.823 0.004 0.000 0.646 256 V HN 0.436 nan 8.190 nan 0.000 0.447 257 M N -0.816 118.799 119.600 0.025 0.000 2.065 257 M HA -0.224 4.250 4.480 -0.010 0.000 0.259 257 M C 2.183 178.463 176.300 -0.033 0.000 1.069 257 M CA 2.116 57.451 55.300 0.059 0.000 1.110 257 M CB -0.244 32.450 32.600 0.158 0.000 1.328 257 M HN 0.328 nan 8.290 nan 0.000 0.405 258 L N 0.994 122.140 121.223 -0.128 0.000 2.042 258 L HA -0.253 4.080 4.340 -0.010 0.000 0.210 258 L C 2.000 178.761 176.870 -0.183 0.000 1.076 258 L CA 2.268 56.980 54.840 -0.212 0.000 0.749 258 L CB -0.937 40.846 42.059 -0.460 0.000 0.893 258 L HN 0.425 nan 8.230 nan 0.000 0.432 259 D N -1.263 119.044 120.400 -0.155 0.000 2.084 259 D HA -0.153 4.481 4.640 -0.010 0.000 0.194 259 D C 2.165 178.414 176.300 -0.084 0.000 0.990 259 D CA 1.558 55.489 54.000 -0.115 0.000 0.826 259 D CB -0.494 40.254 40.800 -0.087 0.000 0.971 259 D HN 0.302 nan 8.370 nan 0.000 0.453 260 G N 0.277 109.042 108.800 -0.057 0.000 2.418 260 G HA2 -0.190 3.764 3.960 -0.010 0.000 0.217 260 G HA3 -0.190 3.764 3.960 -0.010 0.000 0.217 260 G C 1.902 176.741 174.900 -0.102 0.000 1.158 260 G CA 0.742 45.827 45.100 -0.026 0.000 0.771 260 G HN 0.357 nan 8.290 nan 0.000 0.545 261 L N 0.687 121.782 121.223 -0.213 0.000 2.017 261 L HA 0.012 4.346 4.340 -0.010 0.000 0.208 261 L C 3.225 179.653 176.870 -0.737 0.000 1.073 261 L CA 1.102 55.612 54.840 -0.549 0.000 0.745 261 L CB -0.780 40.968 42.059 -0.518 0.000 0.894 261 L HN 0.328 nan 8.230 nan 0.000 0.432 262 G N -0.214 108.372 108.800 -0.358 0.000 2.491 262 G HA2 -0.284 3.670 3.960 -0.010 0.000 0.218 262 G HA3 -0.284 3.670 3.960 -0.010 0.000 0.218 262 G C 1.708 176.594 174.900 -0.023 0.000 1.180 262 G CA 0.782 45.806 45.100 -0.127 0.000 0.774 262 G HN 0.273 nan 8.290 nan 0.000 0.562 263 R N -0.266 120.223 120.500 -0.018 0.000 2.083 263 R HA 0.034 4.368 4.340 -0.010 0.000 0.237 263 R C 2.712 179.158 176.300 0.243 0.000 1.137 263 R CA 1.242 57.397 56.100 0.091 0.000 0.951 263 R CB -0.514 29.860 30.300 0.122 0.000 0.851 263 R HN 0.335 nan 8.270 nan 0.000 0.434 264 L N -0.475 120.852 121.223 0.174 0.000 2.056 264 L HA -0.150 4.184 4.340 -0.010 0.000 0.207 264 L C 2.230 179.290 176.870 0.317 0.000 1.078 264 L CA 0.867 55.835 54.840 0.213 0.000 0.749 264 L CB -0.407 41.723 42.059 0.118 0.000 0.901 264 L HN 0.097 nan 8.230 nan 0.000 0.433 265 F N 0.473 120.514 119.950 0.153 0.000 2.095 265 F HA -0.224 4.296 4.527 -0.011 0.000 0.298 265 F C 2.753 178.620 175.800 0.112 0.000 1.104 265 F CA 1.545 59.618 58.000 0.121 0.000 1.232 265 F CB -1.659 37.398 39.000 0.096 0.000 0.987 265 F HN 0.066 nan 8.300 nan 0.000 0.475 266 T N 0.916 115.657 114.554 0.312 0.000 2.737 266 T HA -0.166 4.178 4.350 -0.010 0.000 0.265 266 T C 2.088 176.911 174.700 0.205 0.000 1.038 266 T CA 1.196 63.420 62.100 0.207 0.000 1.144 266 T CB -0.720 68.235 68.868 0.146 0.000 0.866 266 T HN 0.130 nan 8.240 nan 0.000 0.434 267 L N 1.120 122.502 121.223 0.266 0.000 1.990 267 L HA -0.023 4.311 4.340 -0.010 0.000 0.213 267 L C 2.018 179.022 176.870 0.223 0.000 1.072 267 L CA 1.831 56.847 54.840 0.292 0.000 0.755 267 L CB -0.659 41.633 42.059 0.389 0.000 0.889 267 L HN 0.251 nan 8.230 nan 0.000 0.432 268 L N -0.175 121.183 121.223 0.226 0.000 2.492 268 L HA 0.179 4.513 4.340 -0.010 0.000 0.223 268 L C 1.258 178.227 176.870 0.164 0.000 1.132 268 L CA 0.077 55.046 54.840 0.214 0.000 0.850 268 L CB -0.774 41.429 42.059 0.241 0.000 0.966 268 L HN 0.288 nan 8.230 nan 0.000 0.454 269 A N 0.408 123.312 122.820 0.140 0.000 2.524 269 A HA 0.384 4.698 4.320 -0.010 0.000 0.250 269 A C 1.432 179.049 177.584 0.054 0.000 1.078 269 A CA 0.726 52.811 52.037 0.079 0.000 0.761 269 A CB -0.243 18.799 19.000 0.070 0.000 1.012 269 A HN 0.553 nan 8.150 nan 0.000 0.500 270 G N 1.444 110.255 108.800 0.018 0.000 2.225 270 G HA2 -0.201 3.753 3.960 -0.010 0.000 0.254 270 G HA3 -0.201 3.753 3.960 -0.010 0.000 0.254 270 G C 0.703 175.589 174.900 -0.022 0.000 0.988 270 G CA 1.027 46.124 45.100 -0.005 0.000 0.625 270 G HN 2.156 nan 8.290 nan 0.000 0.527 271 S N -0.673 115.029 115.700 0.003 0.000 2.713 271 S HA 0.623 5.087 4.470 -0.010 0.000 0.277 271 S C 1.019 175.495 174.600 -0.207 0.000 1.168 271 S CA 0.560 58.736 58.200 -0.041 0.000 0.994 271 S CB 1.982 65.273 63.200 0.152 0.000 1.054 271 S HN 0.286 nan 8.310 nan 0.000 0.555 272 E N -0.327 119.539 120.200 -0.557 0.000 2.265 272 E HA -0.070 4.274 4.350 -0.010 0.000 0.196 272 E C 0.032 176.139 176.600 -0.822 0.000 0.996 272 E CA 1.029 56.884 56.400 -0.908 0.000 0.832 272 E CB 0.060 28.780 29.700 -1.633 0.000 0.756 272 E HN 0.781 nan 8.360 nan 0.000 0.491 273 W N 1.760 123.057 121.300 -0.005 0.000 2.926 273 W HA 0.217 4.870 4.660 -0.011 0.000 0.419 273 W C 0.110 176.648 176.519 0.031 0.000 0.993 273 W CA -0.619 56.735 57.345 0.015 0.000 2.025 273 W CB -0.508 28.965 29.460 0.022 0.000 1.152 273 W HN 0.073 nan 8.180 nan 0.000 0.659 274 E N 1.291 121.566 120.200 0.124 0.000 2.481 274 E HA 0.049 4.393 4.350 -0.010 0.000 0.263 274 E C -0.031 176.627 176.600 0.097 0.000 0.992 274 E CA 0.242 56.702 56.400 0.100 0.000 0.938 274 E CB 1.122 30.835 29.700 0.021 0.000 0.933 274 E HN -0.221 nan 8.360 nan 0.000 0.453 275 V N 5.280 125.255 119.914 0.100 0.000 2.397 275 V HA 0.017 4.130 4.120 -0.010 0.000 0.262 275 V C 1.256 177.324 176.094 -0.044 0.000 1.047 275 V CA 0.765 63.116 62.300 0.085 0.000 1.003 275 V CB 0.350 32.256 31.823 0.139 0.000 1.037 275 V HN 0.919 nan 8.190 nan 0.000 0.480 276 T N -0.388 114.164 114.554 -0.003 0.000 3.001 276 T HA 0.066 4.410 4.350 -0.010 0.000 0.251 276 T C 0.623 175.296 174.700 -0.044 0.000 1.040 276 T CA -0.301 61.770 62.100 -0.048 0.000 0.985 276 T CB 0.047 68.898 68.868 -0.030 0.000 1.011 276 T HN 0.533 nan 8.240 nan 0.000 0.509 277 D N 3.577 123.990 120.400 0.022 0.000 2.586 277 D HA 0.026 4.660 4.640 -0.010 0.000 0.234 277 D C -1.471 174.791 176.300 -0.063 0.000 1.132 277 D CA -1.198 52.834 54.000 0.054 0.000 0.860 277 D CB 1.528 42.489 40.800 0.268 0.000 1.159 277 D HN 0.099 nan 8.370 nan 0.000 0.490 278 P HA -0.009 nan 4.420 nan 0.000 0.225 278 P C 1.242 178.457 177.300 -0.141 0.000 1.148 278 P CA 0.693 63.732 63.100 -0.101 0.000 0.779 278 P CB 0.156 31.819 31.700 -0.060 0.000 0.780 279 G N 0.691 109.434 108.800 -0.095 0.000 2.470 279 G HA2 -0.270 3.684 3.960 -0.010 0.000 0.220 279 G HA3 -0.270 3.684 3.960 -0.010 0.000 0.220 279 G C 1.629 176.248 174.900 -0.469 0.000 1.121 279 G CA 0.468 45.496 45.100 -0.121 0.000 0.766 279 G HN 0.268 nan 8.290 nan 0.000 0.553 280 R N 0.061 120.057 120.500 -0.840 0.000 2.153 280 R HA -0.266 4.068 4.340 -0.010 0.000 0.252 280 R C 2.349 178.396 176.300 -0.423 0.000 1.158 280 R CA 2.158 57.675 56.100 -0.971 0.000 0.975 280 R CB -0.321 29.460 30.300 -0.864 0.000 0.871 280 R HN 0.396 nan 8.270 nan 0.000 0.450 281 Q N 0.827 120.462 119.800 -0.274 0.000 2.170 281 Q HA -0.087 4.247 4.340 -0.010 0.000 0.203 281 Q C 2.064 178.035 176.000 -0.047 0.000 0.976 281 Q CA 1.702 57.433 55.803 -0.119 0.000 0.858 281 Q CB -0.221 28.461 28.738 -0.094 0.000 0.907 281 Q HN 0.580 nan 8.270 nan 0.000 0.433 282 L N -1.017 120.145 121.223 -0.100 0.000 2.131 282 L HA -0.153 4.181 4.340 -0.010 0.000 0.210 282 L C 2.201 179.135 176.870 0.106 0.000 1.092 282 L CA 0.788 55.602 54.840 -0.044 0.000 0.759 282 L CB -0.566 41.342 42.059 -0.250 0.000 0.903 282 L HN 0.099 nan 8.230 nan 0.000 0.435 283 V N 0.254 120.221 119.914 0.087 0.000 2.343 283 V HA -0.272 3.842 4.120 -0.010 0.000 0.247 283 V C 2.424 178.655 176.094 0.228 0.000 1.051 283 V CA 1.604 64.027 62.300 0.205 0.000 1.036 283 V CB -0.421 31.547 31.823 0.241 0.000 0.654 283 V HN 0.352 nan 8.190 nan 0.000 0.451 284 L N -0.191 121.170 121.223 0.230 0.000 2.046 284 L HA -0.182 4.151 4.340 -0.010 0.000 0.208 284 L C 2.355 179.453 176.870 0.381 0.000 1.077 284 L CA 1.570 56.632 54.840 0.370 0.000 0.747 284 L CB -0.892 41.370 42.059 0.338 0.000 0.896 284 L HN 0.321 nan 8.230 nan 0.000 0.432 285 D N -0.152 120.414 120.400 0.277 0.000 2.218 285 D HA -0.153 4.481 4.640 -0.010 0.000 0.204 285 D C 2.393 178.876 176.300 0.305 0.000 0.976 285 D CA 1.629 55.795 54.000 0.276 0.000 0.853 285 D CB -0.065 40.865 40.800 0.218 0.000 0.939 285 D HN 0.363 nan 8.370 nan 0.000 0.481 286 S N -0.121 115.762 115.700 0.306 0.000 2.453 286 S HA -0.082 4.381 4.470 -0.010 0.000 0.231 286 S C 2.151 176.924 174.600 0.288 0.000 1.005 286 S CA 0.460 58.857 58.200 0.328 0.000 0.949 286 S CB -0.397 63.022 63.200 0.364 0.000 0.774 286 S HN 0.063 nan 8.310 nan 0.000 0.510 287 V N 2.110 122.094 119.914 0.116 0.000 2.282 287 V HA -0.195 3.919 4.120 -0.010 0.000 0.249 287 V C 2.709 178.788 176.094 -0.026 0.000 1.057 287 V CA 2.417 64.622 62.300 -0.158 0.000 1.032 287 V CB -0.668 30.527 31.823 -1.047 0.000 0.645 287 V HN 0.612 nan 8.190 nan 0.000 0.447 288 E N -1.707 118.540 120.200 0.077 0.000 2.276 288 E HA -0.079 4.265 4.350 -0.010 0.000 0.193 288 E C 2.086 178.814 176.600 0.214 0.000 0.983 288 E CA 0.451 56.944 56.400 0.156 0.000 0.861 288 E CB 0.054 29.894 29.700 0.235 0.000 0.817 288 E HN 0.683 nan 8.360 nan 0.000 0.485 289 H N 0.328 119.482 119.070 0.140 0.000 2.384 289 H HA 0.152 4.702 4.556 -0.011 0.000 0.300 289 H C 1.596 177.028 175.328 0.173 0.000 1.057 289 H CA 1.686 57.824 56.048 0.151 0.000 1.370 289 H CB 0.263 30.123 29.762 0.165 0.000 1.417 289 H HN 0.126 nan 8.280 nan 0.000 0.527 290 A N -1.271 121.580 122.820 0.052 0.000 1.944 290 A HA 0.116 4.429 4.320 -0.010 0.000 0.207 290 A C 1.614 179.003 177.584 -0.325 0.000 1.265 290 A CA 0.327 52.258 52.037 -0.177 0.000 0.712 290 A CB -0.408 18.390 19.000 -0.337 0.000 0.915 290 A HN 0.383 nan 8.150 nan 0.000 0.470 291 Y N -0.566 119.683 120.300 -0.085 0.000 2.353 291 Y HA 0.313 4.856 4.550 -0.011 0.000 0.294 291 Y C 2.870 178.694 175.900 -0.128 0.000 1.135 291 Y CA 0.468 58.472 58.100 -0.159 0.000 1.176 291 Y CB -0.455 37.892 38.460 -0.190 0.000 1.124 291 Y HN 0.262 nan 8.280 nan 0.000 0.537 292 A N 0.888 123.788 122.820 0.135 0.000 1.917 292 A HA -0.159 4.155 4.320 -0.010 0.000 0.219 292 A C -0.306 177.354 177.584 0.126 0.000 1.182 292 A CA 1.857 54.023 52.037 0.214 0.000 0.633 292 A CB -1.846 17.329 19.000 0.292 0.000 0.819 292 A HN 0.292 nan 8.150 nan 0.000 0.448 293 P HA -0.080 nan 4.420 nan 0.000 0.221 293 P C 0.891 178.168 177.300 -0.037 0.000 1.145 293 P CA 0.811 63.816 63.100 -0.159 0.000 0.795 293 P CB -0.053 31.321 31.700 -0.543 0.000 0.775 294 L N -1.855 119.334 121.223 -0.057 0.000 2.592 294 L HA 0.168 4.501 4.340 -0.010 0.000 0.227 294 L C 0.726 177.505 176.870 -0.152 0.000 1.127 294 L CA -0.023 54.763 54.840 -0.089 0.000 0.884 294 L CB -0.093 41.869 42.059 -0.162 0.000 1.065 294 L HN -0.106 nan 8.230 nan 0.000 0.457 295 I N -0.753 119.705 120.570 -0.187 0.000 2.339 295 I HA 0.184 4.347 4.170 -0.010 0.000 0.290 295 I C -0.546 175.430 176.117 -0.234 0.000 0.994 295 I CA -0.557 60.498 61.300 -0.409 0.000 1.191 295 I CB 1.103 38.525 38.000 -0.963 0.000 1.343 295 I HN -0.027 nan 8.210 nan 0.000 0.458 296 H N 6.081 124.903 119.070 -0.413 0.000 2.762 296 H HA 0.256 4.805 4.556 -0.010 0.000 0.310 296 H C -0.608 174.554 175.328 -0.277 0.000 1.004 296 H CA -0.613 55.254 56.048 -0.302 0.000 1.267 296 H CB 0.546 29.998 29.762 -0.517 0.000 1.437 296 H HN 0.547 nan 8.280 nan 0.000 0.498 297 D N 4.204 124.351 120.400 -0.422 0.000 2.751 297 D HA -0.184 4.450 4.640 -0.010 0.000 0.233 297 D C 1.255 177.464 176.300 -0.153 0.000 1.149 297 D CA 2.056 55.906 54.000 -0.250 0.000 0.682 297 D CB -1.298 39.225 40.800 -0.461 0.000 1.068 297 D HN 1.085 nan 8.370 nan 0.000 0.429 298 G N -1.744 106.887 108.800 -0.281 0.000 2.232 298 G HA2 -0.224 3.730 3.960 -0.010 0.000 0.226 298 G HA3 -0.224 3.730 3.960 -0.010 0.000 0.226 298 G C 0.216 174.845 174.900 -0.451 0.000 0.996 298 G CA 0.191 45.133 45.100 -0.263 0.000 0.626 298 G HN 0.794 nan 8.290 nan 0.000 0.509 299 L N -0.034 120.770 121.223 -0.697 0.000 2.343 299 L HA 0.936 5.269 4.340 -0.010 0.000 0.275 299 L C 0.309 176.910 176.870 -0.450 0.000 1.056 299 L CA -1.362 53.063 54.840 -0.692 0.000 0.804 299 L CB 2.004 43.506 42.059 -0.930 0.000 1.203 299 L HN 0.281 nan 8.230 nan 0.000 0.440 300 V N 5.223 124.974 119.914 -0.273 0.000 2.394 300 V HA 0.419 4.533 4.120 -0.010 0.000 0.282 300 V C 0.447 176.492 176.094 -0.083 0.000 1.031 300 V CA -0.601 61.585 62.300 -0.189 0.000 0.881 300 V CB 1.386 33.121 31.823 -0.146 0.000 0.982 300 V HN 0.916 nan 8.190 nan 0.000 0.451 301 M N 5.076 124.638 119.600 -0.063 0.000 2.251 301 M HA 0.092 4.565 4.480 -0.010 0.000 0.343 301 M C 0.955 177.298 176.300 0.071 0.000 1.245 301 M CA 0.060 55.403 55.300 0.072 0.000 1.061 301 M CB 0.134 32.810 32.600 0.127 0.000 1.723 301 M HN 0.612 nan 8.290 nan 0.000 0.449 302 D N 1.342 121.818 120.400 0.128 0.000 2.265 302 D HA -0.121 4.513 4.640 -0.010 0.000 0.208 302 D C 1.962 178.259 176.300 -0.005 0.000 0.977 302 D CA 1.783 55.830 54.000 0.079 0.000 0.871 302 D CB -0.164 40.758 40.800 0.202 0.000 0.925 302 D HN 0.799 nan 8.370 nan 0.000 0.485 303 T N -1.416 113.146 114.554 0.014 0.000 2.897 303 T HA -0.142 4.202 4.350 -0.010 0.000 0.271 303 T C 1.729 176.396 174.700 -0.056 0.000 1.084 303 T CA 1.338 63.433 62.100 -0.008 0.000 1.123 303 T CB -0.368 68.513 68.868 0.021 0.000 0.865 303 T HN 0.136 nan 8.240 nan 0.000 0.496 304 V N -2.300 117.577 119.914 -0.061 0.000 3.176 304 V HA 0.510 4.624 4.120 -0.010 0.000 0.332 304 V C 0.704 176.773 176.094 -0.042 0.000 1.414 304 V CA -0.607 61.647 62.300 -0.076 0.000 1.133 304 V CB -0.357 31.413 31.823 -0.088 0.000 1.088 304 V HN 0.158 nan 8.190 nan 0.000 0.473 305 N N 1.542 120.193 118.700 -0.081 0.000 2.203 305 N HA 0.330 5.064 4.740 -0.010 0.000 0.207 305 N C 1.463 176.938 175.510 -0.058 0.000 1.130 305 N CA 0.840 53.849 53.050 -0.069 0.000 0.861 305 N CB 1.189 39.591 38.487 -0.142 0.000 1.005 305 N HN 0.674 nan 8.380 nan 0.000 0.507 306 G N 2.874 111.517 108.800 -0.262 0.000 2.684 306 G HA2 -0.432 3.521 3.960 -0.010 0.000 0.332 306 G HA3 -0.432 3.521 3.960 -0.010 0.000 0.332 306 G C 0.946 175.791 174.900 -0.090 0.000 1.306 306 G CA 1.039 45.927 45.100 -0.352 0.000 1.002 306 G HN 0.534 nan 8.290 nan 0.000 0.545 307 R N 0.803 121.349 120.500 0.076 0.000 2.276 307 R HA 0.444 4.778 4.340 -0.010 0.000 0.203 307 R C 2.552 178.845 176.300 -0.012 0.000 1.017 307 R CA 1.639 57.748 56.100 0.016 0.000 1.010 307 R CB -0.337 29.990 30.300 0.045 0.000 0.900 307 R HN 0.909 nan 8.270 nan 0.000 0.469 308 A N 2.605 125.427 122.820 0.003 0.000 2.172 308 A HA -0.033 4.281 4.320 -0.010 0.000 0.216 308 A C 2.172 179.746 177.584 -0.016 0.000 1.154 308 A CA 0.924 52.938 52.037 -0.039 0.000 0.701 308 A CB -0.640 18.266 19.000 -0.157 0.000 0.789 308 A HN 0.602 nan 8.150 nan 0.000 0.465 309 I N -1.785 118.728 120.570 -0.096 0.000 2.567 309 I HA -0.149 4.015 4.170 -0.010 0.000 0.257 309 I C 1.884 178.025 176.117 0.040 0.000 1.184 309 I CA 1.743 62.937 61.300 -0.176 0.000 1.451 309 I CB -0.385 37.197 38.000 -0.696 0.000 1.089 309 I HN 0.286 nan 8.210 nan 0.000 0.441 310 S N 0.212 115.956 115.700 0.074 0.000 2.575 310 S HA 0.210 4.674 4.470 -0.010 0.000 0.215 310 S C 1.785 176.533 174.600 0.247 0.000 0.966 310 S CA -0.437 57.923 58.200 0.265 0.000 0.911 310 S CB -0.122 63.131 63.200 0.089 0.000 0.780 310 S HN 0.507 nan 8.310 nan 0.000 0.514 311 R N 1.193 121.664 120.500 -0.048 0.000 2.052 311 R HA 0.328 4.662 4.340 -0.010 0.000 0.224 311 R C 2.001 177.830 176.300 -0.785 0.000 1.149 311 R CA 0.817 56.752 56.100 -0.275 0.000 0.962 311 R CB -1.027 29.107 30.300 -0.276 0.000 0.856 311 R HN 0.512 nan 8.270 nan 0.000 0.433 312 G N 0.485 108.409 108.800 -1.460 0.000 2.591 312 G HA2 -0.354 3.600 3.960 -0.010 0.000 0.298 312 G HA3 -0.354 3.600 3.960 -0.010 0.000 0.298 312 G C -0.671 173.327 174.900 -1.503 0.000 1.195 312 G CA 0.393 43.982 45.100 -2.518 0.000 0.989 312 G HN 0.322 nan 8.290 nan 0.000 0.551 313 Y N 1.103 120.636 120.300 -1.278 0.000 2.436 313 Y HA 0.581 5.125 4.550 -0.010 0.000 0.343 313 Y C 1.070 176.770 175.900 -0.334 0.000 1.008 313 Y CA -0.278 57.459 58.100 -0.605 0.000 1.241 313 Y CB 0.653 38.915 38.460 -0.331 0.000 1.153 313 Y HN 0.460 nan 8.280 nan 0.000 0.521 314 L N 4.372 125.539 121.223 -0.093 0.000 2.307 314 L HA 0.310 4.644 4.340 -0.010 0.000 0.282 314 L C 1.314 178.222 176.870 0.063 0.000 1.051 314 L CA -0.570 54.241 54.840 -0.049 0.000 0.804 314 L CB 1.374 43.370 42.059 -0.105 0.000 1.197 314 L HN 0.633 nan 8.230 nan 0.000 0.431 315 K N 0.677 121.115 120.400 0.065 0.000 2.152 315 K HA -0.092 4.222 4.320 -0.010 0.000 0.206 315 K C 1.298 177.961 176.600 0.104 0.000 1.048 315 K CA 1.152 57.488 56.287 0.083 0.000 0.933 315 K CB 0.062 32.588 32.500 0.045 0.000 0.721 315 K HN 0.500 nan 8.250 nan 0.000 0.447 316 S N 0.896 116.660 115.700 0.106 0.000 2.634 316 S HA -0.025 4.439 4.470 -0.010 0.000 0.221 316 S C -0.271 174.478 174.600 0.248 0.000 0.952 316 S CA -0.113 58.204 58.200 0.194 0.000 0.930 316 S CB -0.028 63.279 63.200 0.178 0.000 0.780 316 S HN 0.233 nan 8.310 nan 0.000 0.498 317 D N 1.474 121.968 120.400 0.158 0.000 2.396 317 D HA 0.165 4.799 4.640 -0.010 0.000 0.225 317 D C 0.257 176.643 176.300 0.143 0.000 1.121 317 D CA -0.412 53.659 54.000 0.118 0.000 0.853 317 D CB 0.620 41.454 40.800 0.056 0.000 1.043 317 D HN -0.156 nan 8.370 nan 0.000 0.500 318 D N 3.120 123.588 120.400 0.115 0.000 2.371 318 D HA -0.037 4.597 4.640 -0.010 0.000 0.221 318 D C 1.515 177.876 176.300 0.102 0.000 0.986 318 D CA 0.468 54.534 54.000 0.110 0.000 0.899 318 D CB 0.502 41.362 40.800 0.101 0.000 0.902 318 D HN 0.531 nan 8.370 nan 0.000 0.530 319 L N -0.797 120.489 121.223 0.106 0.000 2.529 319 L HA 0.061 4.395 4.340 -0.010 0.000 0.223 319 L C 0.256 177.232 176.870 0.177 0.000 1.113 319 L CA -0.096 54.809 54.840 0.108 0.000 0.861 319 L CB -0.234 41.877 42.059 0.087 0.000 1.012 319 L HN 0.058 nan 8.230 nan 0.000 0.461 320 H N 0.121 119.231 119.070 0.067 0.000 2.604 320 H HA -0.145 4.405 4.556 -0.010 0.000 0.321 320 H C -0.961 174.500 175.328 0.221 0.000 1.132 320 H CA -0.061 56.054 56.048 0.112 0.000 1.129 320 H CB -1.384 28.390 29.762 0.019 0.000 1.526 320 H HN -0.037 nan 8.280 nan 0.000 0.415 321 V N 2.903 122.854 119.914 0.063 0.000 2.370 321 V HA 0.151 4.265 4.120 -0.010 0.000 0.279 321 V C 1.121 177.008 176.094 -0.345 0.000 1.029 321 V CA -0.420 61.858 62.300 -0.038 0.000 0.870 321 V CB 1.478 33.312 31.823 0.019 0.000 0.984 321 V HN 0.518 nan 8.190 nan 0.000 0.451 322 M N 4.836 124.093 119.600 -0.572 0.000 2.303 322 M HA 0.205 4.678 4.480 -0.010 0.000 0.350 322 M C 0.336 176.134 176.300 -0.837 0.000 1.518 322 M CA -0.149 54.519 55.300 -1.052 0.000 1.070 322 M CB 0.103 32.052 32.600 -1.085 0.000 1.910 322 M HN 0.577 nan 8.290 nan 0.000 0.458 323 R N 2.633 122.497 120.500 -1.060 0.000 2.643 323 R HA 0.444 4.777 4.340 -0.010 0.000 0.270 323 R C -0.389 175.548 176.300 -0.604 0.000 1.061 323 R CA -0.010 55.452 56.100 -1.065 0.000 1.107 323 R CB 0.643 30.363 30.300 -0.966 0.000 0.999 323 R HN 0.843 nan 8.270 nan 0.000 0.460 324 S N -0.918 114.580 115.700 -0.337 0.000 2.656 324 S HA 0.089 4.553 4.470 -0.010 0.000 0.265 324 S C -0.068 174.636 174.600 0.172 0.000 1.110 324 S CA -0.400 57.821 58.200 0.036 0.000 0.821 324 S CB 0.500 63.751 63.200 0.084 0.000 1.099 324 S HN 0.518 nan 8.310 nan 0.000 0.471 325 D N 0.524 121.098 120.400 0.291 0.000 2.158 325 D HA -0.224 4.410 4.640 -0.010 0.000 0.197 325 D C 1.364 177.698 176.300 0.056 0.000 0.995 325 D CA 1.955 56.088 54.000 0.222 0.000 0.846 325 D CB -0.907 40.031 40.800 0.229 0.000 0.941 325 D HN 0.679 nan 8.370 nan 0.000 0.456 326 H N -0.987 118.125 119.070 0.069 0.000 2.363 326 H HA -0.022 4.528 4.556 -0.011 0.000 0.301 326 H C 1.948 177.235 175.328 -0.069 0.000 1.074 326 H CA 1.107 57.143 56.048 -0.019 0.000 1.354 326 H CB -0.487 29.267 29.762 -0.013 0.000 1.397 326 H HN 0.220 nan 8.280 nan 0.000 0.516 327 F N 1.886 121.775 119.950 -0.102 0.000 2.065 327 F HA -0.300 4.222 4.527 -0.009 0.000 0.298 327 F C 2.664 178.308 175.800 -0.259 0.000 1.112 327 F CA 1.714 59.552 58.000 -0.270 0.000 1.212 327 F CB -0.259 38.477 39.000 -0.439 0.000 0.975 327 F HN 0.187 nan 8.300 nan 0.000 0.476 328 H N -0.381 118.760 119.070 0.119 0.000 2.389 328 H HA -0.023 4.527 4.556 -0.011 0.000 0.299 328 H C 2.514 177.749 175.328 -0.156 0.000 1.081 328 H CA 1.170 57.213 56.048 -0.008 0.000 1.345 328 H CB -1.208 28.584 29.762 0.050 0.000 1.393 328 H HN 0.472 nan 8.280 nan 0.000 0.520 329 G N 0.575 109.331 108.800 -0.073 0.000 2.422 329 G HA2 -0.240 3.714 3.960 -0.010 0.000 0.218 329 G HA3 -0.240 3.714 3.960 -0.010 0.000 0.218 329 G C 1.641 176.412 174.900 -0.215 0.000 1.146 329 G CA 0.427 45.396 45.100 -0.219 0.000 0.769 329 G HN 0.409 nan 8.290 nan 0.000 0.547 330 Q N -0.391 119.301 119.800 -0.180 0.000 2.119 330 Q HA -0.072 4.262 4.340 -0.010 0.000 0.201 330 Q C 2.792 178.790 176.000 -0.002 0.000 0.972 330 Q CA 0.965 56.720 55.803 -0.080 0.000 0.847 330 Q CB -0.076 28.549 28.738 -0.187 0.000 0.903 330 Q HN 0.382 nan 8.270 nan 0.000 0.433 331 Q N 0.332 120.024 119.800 -0.181 0.000 2.119 331 Q HA -0.134 4.200 4.340 -0.010 0.000 0.201 331 Q C 2.122 178.046 176.000 -0.128 0.000 0.972 331 Q CA 0.845 56.573 55.803 -0.125 0.000 0.847 331 Q CB -0.277 28.340 28.738 -0.201 0.000 0.903 331 Q HN 0.273 nan 8.270 nan 0.000 0.433 332 L N 0.660 121.782 121.223 -0.168 0.000 2.056 332 L HA -0.067 4.267 4.340 -0.010 0.000 0.207 332 L C 2.101 178.835 176.870 -0.227 0.000 1.078 332 L CA 1.262 55.961 54.840 -0.235 0.000 0.749 332 L CB -0.590 41.310 42.059 -0.264 0.000 0.901 332 L HN 0.098 nan 8.230 nan 0.000 0.433 333 I N -0.495 119.967 120.570 -0.180 0.000 2.208 333 I HA -0.331 3.833 4.170 -0.010 0.000 0.245 333 I C 2.571 178.635 176.117 -0.088 0.000 1.097 333 I CA 1.254 62.501 61.300 -0.090 0.000 1.363 333 I CB -0.637 37.349 38.000 -0.023 0.000 1.051 333 I HN 0.338 nan 8.210 nan 0.000 0.413 334 A N 0.728 123.464 122.820 -0.139 0.000 1.908 334 A HA -0.205 4.108 4.320 -0.010 0.000 0.218 334 A C 2.547 180.029 177.584 -0.171 0.000 1.181 334 A CA 1.998 53.888 52.037 -0.246 0.000 0.627 334 A CB -0.881 17.894 19.000 -0.375 0.000 0.818 334 A HN 0.448 nan 8.150 nan 0.000 0.445 335 A N -0.569 122.153 122.820 -0.164 0.000 1.902 335 A HA -0.131 4.183 4.320 -0.010 0.000 0.217 335 A C 2.248 179.748 177.584 -0.141 0.000 1.181 335 A CA 1.827 53.765 52.037 -0.165 0.000 0.623 335 A CB -0.566 18.300 19.000 -0.222 0.000 0.818 335 A HN 0.542 nan 8.150 nan 0.000 0.443 336 M N -0.487 119.020 119.600 -0.154 0.000 2.149 336 M HA -0.170 4.303 4.480 -0.010 0.000 0.261 336 M C 2.468 178.815 176.300 0.077 0.000 1.064 336 M CA 1.419 56.660 55.300 -0.099 0.000 1.102 336 M CB -0.416 32.126 32.600 -0.097 0.000 1.369 336 M HN 0.490 nan 8.290 nan 0.000 0.408 337 A N -0.284 122.567 122.820 0.052 0.000 1.930 337 A HA -0.076 4.238 4.320 -0.010 0.000 0.217 337 A C 2.237 179.881 177.584 0.099 0.000 1.175 337 A CA 1.411 53.508 52.037 0.101 0.000 0.627 337 A CB -0.820 18.173 19.000 -0.011 0.000 0.815 337 A HN 0.296 nan 8.150 nan 0.000 0.443 338 V N -0.496 119.436 119.914 0.029 0.000 2.358 338 V HA -0.193 3.921 4.120 -0.010 0.000 0.246 338 V C 2.453 178.607 176.094 0.100 0.000 1.047 338 V CA 1.800 64.120 62.300 0.033 0.000 1.035 338 V CB -0.674 31.134 31.823 -0.026 0.000 0.658 338 V HN 0.546 nan 8.190 nan 0.000 0.452 339 L N 0.865 122.160 121.223 0.119 0.000 2.083 339 L HA -0.106 4.228 4.340 -0.010 0.000 0.209 339 L C 2.481 179.561 176.870 0.350 0.000 1.083 339 L CA 2.186 57.160 54.840 0.224 0.000 0.752 339 L CB -0.898 41.264 42.059 0.172 0.000 0.899 339 L HN 0.260 nan 8.230 nan 0.000 0.433 340 A N -0.664 122.392 122.820 0.394 0.000 1.986 340 A HA -0.157 4.157 4.320 -0.010 0.000 0.220 340 A C 2.358 180.000 177.584 0.096 0.000 1.171 340 A CA 1.536 53.755 52.037 0.302 0.000 0.640 340 A CB -1.513 17.688 19.000 0.336 0.000 0.811 340 A HN 0.521 nan 8.150 nan 0.000 0.451 341 G N -0.721 108.157 108.800 0.130 0.000 2.450 341 G HA2 0.031 3.984 3.960 -0.010 0.000 0.220 341 G HA3 0.031 3.984 3.960 -0.010 0.000 0.220 341 G C 1.213 176.144 174.900 0.052 0.000 1.130 341 G CA 1.152 46.301 45.100 0.081 0.000 0.760 341 G HN 0.857 nan 8.290 nan 0.000 0.557 342 G N -0.423 108.426 108.800 0.083 0.000 3.337 342 G HA2 0.547 4.501 3.960 -0.010 0.000 0.246 342 G HA3 0.547 4.501 3.960 -0.010 0.000 0.246 342 G C 0.480 175.373 174.900 -0.012 0.000 1.131 342 G CA 0.689 45.817 45.100 0.046 0.000 0.773 342 G HN 0.646 nan 8.290 nan 0.000 0.544 343 A N 0.563 123.342 122.820 -0.067 0.000 2.257 343 A HA 0.723 5.037 4.320 -0.010 0.000 0.289 343 A C 0.974 178.423 177.584 -0.224 0.000 1.095 343 A CA 0.142 52.060 52.037 -0.198 0.000 0.836 343 A CB 0.526 19.217 19.000 -0.516 0.000 1.111 343 A HN 0.776 nan 8.150 nan 0.000 0.497 344 S N 0.433 115.982 115.700 -0.251 0.000 2.589 344 S HA 0.043 4.507 4.470 -0.010 0.000 0.265 344 S C 0.802 175.248 174.600 -0.257 0.000 1.342 344 S CA -0.099 57.975 58.200 -0.209 0.000 1.005 344 S CB 0.278 63.373 63.200 -0.175 0.000 0.909 344 S HN 0.637 nan 8.310 nan 0.000 0.555 345 N N 1.538 120.124 118.700 -0.190 0.000 2.094 345 N HA -0.144 4.590 4.740 -0.010 0.000 0.191 345 N C 1.967 177.344 175.510 -0.221 0.000 1.023 345 N CA 1.833 54.772 53.050 -0.185 0.000 0.857 345 N CB -1.265 37.149 38.487 -0.123 0.000 1.013 345 N HN 0.825 nan 8.380 nan 0.000 0.426 346 A N 1.119 123.818 122.820 -0.202 0.000 1.898 346 A HA -0.109 4.205 4.320 -0.010 0.000 0.216 346 A C 2.142 179.549 177.584 -0.296 0.000 1.181 346 A CA 1.308 53.230 52.037 -0.191 0.000 0.620 346 A CB -0.477 18.445 19.000 -0.131 0.000 0.819 346 A HN 0.331 nan 8.150 nan 0.000 0.442 347 E N -0.707 119.240 120.200 -0.422 0.000 2.051 347 E HA -0.216 4.128 4.350 -0.010 0.000 0.192 347 E C 2.318 178.243 176.600 -1.125 0.000 0.991 347 E CA 1.267 57.198 56.400 -0.782 0.000 0.799 347 E CB -0.204 28.959 29.700 -0.895 0.000 0.748 347 E HN 0.590 nan 8.360 nan 0.000 0.449 348 R N 1.252 121.241 120.500 -0.852 0.000 2.091 348 R HA -0.231 4.103 4.340 -0.010 0.000 0.238 348 R C 2.243 178.179 176.300 -0.607 0.000 1.136 348 R CA 1.901 57.541 56.100 -0.766 0.000 0.959 348 R CB -0.119 29.837 30.300 -0.573 0.000 0.856 348 R HN 0.170 nan 8.270 nan 0.000 0.437 349 E N 0.091 120.061 120.200 -0.384 0.000 2.077 349 E HA -0.212 4.131 4.350 -0.010 0.000 0.193 349 E C 2.080 178.612 176.600 -0.114 0.000 0.989 349 E CA 1.139 57.419 56.400 -0.200 0.000 0.800 349 E CB 0.092 29.709 29.700 -0.137 0.000 0.746 349 E HN 0.357 nan 8.360 nan 0.000 0.452 350 R N -0.494 119.924 120.500 -0.136 0.000 2.062 350 R HA -0.116 4.218 4.340 -0.010 0.000 0.229 350 R C 2.138 178.534 176.300 0.159 0.000 1.128 350 R CA 1.495 57.601 56.100 0.009 0.000 0.960 350 R CB -0.273 30.057 30.300 0.051 0.000 0.855 350 R HN 0.337 nan 8.270 nan 0.000 0.432 351 W N 0.514 121.784 121.300 -0.049 0.000 2.388 351 W HA -0.040 4.617 4.660 -0.005 0.000 0.294 351 W C 1.935 178.497 176.519 0.073 0.000 1.212 351 W CA 0.574 57.922 57.345 0.005 0.000 1.271 351 W CB -1.165 28.310 29.460 0.026 0.000 1.126 351 W HN 0.335 nan 8.180 nan 0.000 0.535 352 H N -0.735 118.433 119.070 0.163 0.000 2.423 352 H HA -0.016 4.533 4.556 -0.012 0.000 0.297 352 H C 2.238 177.562 175.328 -0.008 0.000 1.075 352 H CA 1.029 57.117 56.048 0.066 0.000 1.342 352 H CB -0.033 29.746 29.762 0.028 0.000 1.395 352 H HN 0.052 nan 8.280 nan 0.000 0.530 353 A N 1.322 124.197 122.820 0.092 0.000 1.898 353 A HA -0.141 4.173 4.320 -0.010 0.000 0.216 353 A C 2.276 179.774 177.584 -0.144 0.000 1.181 353 A CA 0.971 52.996 52.037 -0.020 0.000 0.620 353 A CB -0.240 18.743 19.000 -0.028 0.000 0.819 353 A HN 0.312 nan 8.150 nan 0.000 0.442 354 R N -0.544 119.831 120.500 -0.208 0.000 2.081 354 R HA -0.044 4.290 4.340 -0.010 0.000 0.235 354 R C 1.950 177.801 176.300 -0.748 0.000 1.131 354 R CA 1.635 57.363 56.100 -0.619 0.000 0.960 354 R CB -0.484 29.410 30.300 -0.677 0.000 0.856 354 R HN 0.552 nan 8.270 nan 0.000 0.436 355 I N 0.914 121.331 120.570 -0.254 0.000 2.252 355 I HA -0.245 3.919 4.170 -0.010 0.000 0.245 355 I C 2.152 178.267 176.117 -0.003 0.000 1.102 355 I CA 1.293 62.618 61.300 0.042 0.000 1.385 355 I CB -0.160 37.944 38.000 0.174 0.000 1.064 355 I HN 0.091 nan 8.210 nan 0.000 0.414 356 K N 0.749 121.115 120.400 -0.056 0.000 2.074 356 K HA -0.179 4.135 4.320 -0.010 0.000 0.209 356 K C 2.142 178.694 176.600 -0.080 0.000 1.048 356 K CA 1.640 57.892 56.287 -0.059 0.000 0.926 356 K CB -0.540 31.926 32.500 -0.056 0.000 0.713 356 K HN 0.472 nan 8.250 nan 0.000 0.444 357 G N 0.509 109.203 108.800 -0.177 0.000 2.402 357 G HA2 -0.207 3.747 3.960 -0.010 0.000 0.216 357 G HA3 -0.207 3.747 3.960 -0.010 0.000 0.216 357 G C 1.002 175.845 174.900 -0.095 0.000 1.162 357 G CA 0.441 45.430 45.100 -0.185 0.000 0.777 357 G HN 0.258 nan 8.290 nan 0.000 0.539 358 W N 0.753 122.034 121.300 -0.032 0.000 2.388 358 W HA 0.108 4.765 4.660 -0.006 0.000 0.294 358 W C 2.455 178.948 176.519 -0.043 0.000 1.212 358 W CA 0.088 57.401 57.345 -0.053 0.000 1.271 358 W CB -0.870 28.556 29.460 -0.057 0.000 1.126 358 W HN 0.196 nan 8.180 nan 0.000 0.535 359 I N 0.459 121.131 120.570 0.170 0.000 2.179 359 I HA -0.294 3.869 4.170 -0.010 0.000 0.242 359 I C 2.264 178.404 176.117 0.037 0.000 1.088 359 I CA 1.515 62.861 61.300 0.076 0.000 1.357 359 I CB -0.551 37.460 38.000 0.018 0.000 1.051 359 I HN -0.042 nan 8.210 nan 0.000 0.409 360 E N 0.455 120.666 120.200 0.019 0.000 2.110 360 E HA -0.210 4.134 4.350 -0.010 0.000 0.193 360 E C 2.223 178.833 176.600 0.018 0.000 0.988 360 E CA 1.057 57.461 56.400 0.007 0.000 0.804 360 E CB -0.029 29.666 29.700 -0.008 0.000 0.745 360 E HN 0.482 nan 8.360 nan 0.000 0.458 361 R N 0.372 120.893 120.500 0.035 0.000 2.265 361 R HA 0.020 4.353 4.340 -0.010 0.000 0.194 361 R C 0.416 176.735 176.300 0.032 0.000 0.931 361 R CA -0.018 56.099 56.100 0.028 0.000 1.032 361 R CB 0.300 30.615 30.300 0.024 0.000 0.980 361 R HN -0.023 nan 8.270 nan 0.000 0.497 362 D N 1.817 122.250 120.400 0.055 0.000 2.398 362 D HA -0.037 4.597 4.640 -0.010 0.000 0.250 362 D C 0.723 177.025 176.300 0.003 0.000 1.287 362 D CA 0.375 54.410 54.000 0.059 0.000 0.992 362 D CB 0.897 41.755 40.800 0.097 0.000 1.071 362 D HN 0.186 nan 8.370 nan 0.000 0.514 363 T N -0.633 113.911 114.554 -0.017 0.000 3.107 363 T HA 0.044 4.388 4.350 -0.010 0.000 0.249 363 T C 1.676 176.322 174.700 -0.090 0.000 1.096 363 T CA -0.031 62.048 62.100 -0.036 0.000 1.012 363 T CB 0.317 69.177 68.868 -0.014 0.000 0.977 363 T HN 0.116 nan 8.240 nan 0.000 0.527 364 V N 2.036 121.831 119.914 -0.199 0.000 2.426 364 V HA 0.154 4.268 4.120 -0.010 0.000 0.242 364 V C 1.609 177.560 176.094 -0.240 0.000 1.036 364 V CA 1.427 63.547 62.300 -0.299 0.000 1.044 364 V CB -0.277 31.129 31.823 -0.695 0.000 0.688 364 V HN 0.808 nan 8.190 nan 0.000 0.462 365 T N -1.385 113.025 114.554 -0.241 0.000 3.209 365 T HA 0.409 4.753 4.350 -0.010 0.000 0.366 365 T C -2.990 171.665 174.700 -0.075 0.000 1.293 365 T CA -1.944 60.080 62.100 -0.128 0.000 1.417 365 T CB 1.099 69.905 68.868 -0.104 0.000 1.013 365 T HN 0.049 nan 8.240 nan 0.000 0.572 366 P HA 0.030 nan 4.420 nan 0.000 0.256 366 P C 1.419 178.706 177.300 -0.022 0.000 1.173 366 P CA -0.063 63.020 63.100 -0.029 0.000 0.768 366 P CB 0.620 32.305 31.700 -0.025 0.000 0.758 367 V N 4.767 124.687 119.914 0.010 0.000 2.332 367 V HA -0.244 3.869 4.120 -0.010 0.000 0.248 367 V C 2.100 178.259 176.094 0.108 0.000 1.055 367 V CA 1.851 64.193 62.300 0.070 0.000 1.038 367 V CB -0.907 30.976 31.823 0.100 0.000 0.651 367 V HN 0.542 nan 8.190 nan 0.000 0.450 368 L N 0.546 121.776 121.223 0.011 0.000 2.552 368 L HA -0.007 4.327 4.340 -0.010 0.000 0.227 368 L C 1.646 178.582 176.870 0.109 0.000 1.146 368 L CA 1.364 56.176 54.840 -0.047 0.000 0.858 368 L CB -0.541 41.339 42.059 -0.299 0.000 0.969 368 L HN 0.563 nan 8.230 nan 0.000 0.451 369 T N -3.630 110.960 114.554 0.061 0.000 3.339 369 T HA 0.477 4.821 4.350 -0.010 0.000 0.292 369 T C 0.471 175.158 174.700 -0.022 0.000 1.012 369 T CA -0.267 61.859 62.100 0.043 0.000 0.937 369 T CB 0.270 69.146 68.868 0.012 0.000 1.164 369 T HN 0.090 nan 8.240 nan 0.000 0.509 370 A N 3.501 126.267 122.820 -0.089 0.000 2.520 370 A HA 0.457 4.771 4.320 -0.010 0.000 0.245 370 A C -0.580 176.841 177.584 -0.272 0.000 1.072 370 A CA -1.129 50.711 52.037 -0.329 0.000 0.761 370 A CB 0.283 18.739 19.000 -0.905 0.000 1.004 370 A HN 0.291 nan 8.150 nan 0.000 0.499 371 P HA -0.172 nan 4.420 nan 0.000 0.226 371 P C 0.992 178.251 177.300 -0.068 0.000 1.153 371 P CA 1.041 64.095 63.100 -0.078 0.000 0.777 371 P CB 0.192 31.878 31.700 -0.024 0.000 0.794 372 Q N -1.038 118.666 119.800 -0.160 0.000 2.451 372 Q HA -0.011 4.323 4.340 -0.010 0.000 0.206 372 Q C 0.064 176.078 176.000 0.024 0.000 0.947 372 Q CA 0.360 56.132 55.803 -0.051 0.000 0.937 372 Q CB -0.601 28.135 28.738 -0.004 0.000 1.025 372 Q HN 0.130 nan 8.270 nan 0.000 0.511 373 F N 4.671 124.606 119.950 -0.025 0.000 2.445 373 F HA 0.383 4.904 4.527 -0.010 0.000 0.359 373 F C -1.752 174.043 175.800 -0.010 0.000 1.101 373 F CA -3.249 54.732 58.000 -0.032 0.000 1.177 373 F CB 0.318 39.293 39.000 -0.040 0.000 1.110 373 F HN 0.021 nan 8.300 nan 0.000 0.522 374 P HA 0.060 nan 4.420 nan 0.000 0.275 374 P C 1.011 178.340 177.300 0.048 0.000 1.266 374 P CA -0.171 62.992 63.100 0.106 0.000 0.793 374 P CB 1.072 32.837 31.700 0.109 0.000 1.074 375 V N -2.256 117.648 119.914 -0.017 0.000 2.469 375 V HA -0.214 3.900 4.120 -0.010 0.000 0.251 375 V C 2.348 178.339 176.094 -0.172 0.000 1.064 375 V CA 2.148 64.385 62.300 -0.106 0.000 1.066 375 V CB -2.329 29.286 31.823 -0.347 0.000 0.667 375 V HN 0.546 nan 8.190 nan 0.000 0.461 376 A N 0.649 123.392 122.820 -0.127 0.000 1.877 376 A HA -0.223 4.091 4.320 -0.010 0.000 0.216 376 A C 2.039 179.556 177.584 -0.111 0.000 1.186 376 A CA 2.062 54.032 52.037 -0.112 0.000 0.620 376 A CB -0.798 18.153 19.000 -0.082 0.000 0.822 376 A HN 0.592 nan 8.150 nan 0.000 0.443 377 D N -0.023 120.294 120.400 -0.139 0.000 2.117 377 D HA -0.079 4.554 4.640 -0.010 0.000 0.198 377 D C 2.020 178.173 176.300 -0.245 0.000 0.982 377 D CA 0.959 54.783 54.000 -0.292 0.000 0.828 377 D CB -0.305 40.189 40.800 -0.510 0.000 0.967 377 D HN 0.437 nan 8.370 nan 0.000 0.464 378 L N 1.015 122.204 121.223 -0.057 0.000 2.043 378 L HA -0.205 4.129 4.340 -0.010 0.000 0.212 378 L C 2.788 179.812 176.870 0.257 0.000 1.075 378 L CA 1.754 56.675 54.840 0.134 0.000 0.752 378 L CB -0.895 41.247 42.059 0.139 0.000 0.891 378 L HN 0.175 nan 8.230 nan 0.000 0.432 379 T N -2.805 111.859 114.554 0.183 0.000 2.821 379 T HA -0.173 4.171 4.350 -0.010 0.000 0.267 379 T C 1.980 176.736 174.700 0.093 0.000 1.046 379 T CA 0.751 62.944 62.100 0.155 0.000 1.139 379 T CB -0.265 68.580 68.868 -0.038 0.000 0.871 379 T HN 0.269 nan 8.240 nan 0.000 0.454 380 R N 0.612 121.114 120.500 0.004 0.000 2.096 380 R HA 0.158 4.492 4.340 -0.010 0.000 0.235 380 R C 2.585 178.852 176.300 -0.055 0.000 1.127 380 R CA 1.267 57.347 56.100 -0.033 0.000 0.968 380 R CB -0.570 29.687 30.300 -0.073 0.000 0.861 380 R HN 0.391 nan 8.270 nan 0.000 0.440 381 L N -0.613 120.569 121.223 -0.069 0.000 2.072 381 L HA -0.128 4.206 4.340 -0.010 0.000 0.205 381 L C 2.437 179.245 176.870 -0.104 0.000 1.079 381 L CA 1.021 55.795 54.840 -0.110 0.000 0.752 381 L CB -0.504 41.464 42.059 -0.151 0.000 0.906 381 L HN 0.302 nan 8.230 nan 0.000 0.436 382 H N -0.321 118.738 119.070 -0.019 0.000 2.387 382 H HA -0.111 4.439 4.556 -0.011 0.000 0.299 382 H C 2.234 177.562 175.328 -0.001 0.000 1.090 382 H CA 1.401 57.455 56.048 0.011 0.000 1.332 382 H CB 0.171 29.979 29.762 0.077 0.000 1.386 382 H HN 0.368 nan 8.280 nan 0.000 0.516 383 A N 1.074 123.949 122.820 0.091 0.000 1.902 383 A HA -0.119 4.195 4.320 -0.010 0.000 0.217 383 A C 2.617 180.156 177.584 -0.074 0.000 1.181 383 A CA 1.085 53.134 52.037 0.019 0.000 0.623 383 A CB -0.671 18.336 19.000 0.012 0.000 0.818 383 A HN 0.268 nan 8.150 nan 0.000 0.443 384 I N -0.298 120.167 120.570 -0.176 0.000 2.179 384 I HA -0.267 3.897 4.170 -0.010 0.000 0.242 384 I C 2.996 179.023 176.117 -0.150 0.000 1.088 384 I CA 1.062 62.184 61.300 -0.298 0.000 1.357 384 I CB -0.416 37.346 38.000 -0.397 0.000 1.051 384 I HN 0.349 nan 8.210 nan 0.000 0.409 385 A N 0.452 123.202 122.820 -0.116 0.000 1.940 385 A HA -0.249 4.065 4.320 -0.010 0.000 0.219 385 A C 1.874 179.433 177.584 -0.041 0.000 1.176 385 A CA 2.202 54.188 52.037 -0.085 0.000 0.631 385 A CB -0.562 18.362 19.000 -0.127 0.000 0.814 385 A HN 0.370 nan 8.150 nan 0.000 0.446 386 D N -0.161 120.230 120.400 -0.016 0.000 2.317 386 D HA 0.246 4.880 4.640 -0.010 0.000 0.211 386 D C 1.091 177.395 176.300 0.006 0.000 0.966 386 D CA 0.852 54.860 54.000 0.013 0.000 0.876 386 D CB -0.370 40.458 40.800 0.046 0.000 0.927 386 D HN 0.468 nan 8.370 nan 0.000 0.519 387 A N 2.019 124.834 122.820 -0.009 0.000 2.406 387 A HA 0.331 4.645 4.320 -0.010 0.000 0.243 387 A C -2.037 175.552 177.584 0.008 0.000 1.082 387 A CA -0.813 51.227 52.037 0.005 0.000 0.786 387 A CB -0.277 18.730 19.000 0.012 0.000 1.029 387 A HN -0.032 nan 8.150 nan 0.000 0.495 388 P HA 0.491 nan 4.420 nan 0.000 0.271 388 P C 0.140 177.448 177.300 0.013 0.000 1.218 388 P CA 0.787 63.893 63.100 0.010 0.000 0.780 388 P CB 1.002 32.708 31.700 0.009 0.000 0.901 389 G N 0.922 109.725 108.800 0.005 0.000 2.333 389 G HA2 0.135 4.089 3.960 -0.010 0.000 0.330 389 G HA3 0.135 4.089 3.960 -0.010 0.000 0.330 389 G C -1.552 173.344 174.900 -0.006 0.000 1.465 389 G CA -0.717 44.386 45.100 0.004 0.000 0.996 389 G HN 0.430 nan 8.290 nan 0.000 0.655 390 E N -0.454 119.739 120.200 -0.012 0.000 2.250 390 E HA 0.668 5.012 4.350 -0.010 0.000 0.269 390 E C 0.528 177.108 176.600 -0.033 0.000 1.018 390 E CA -0.170 56.218 56.400 -0.021 0.000 0.873 390 E CB 1.833 31.520 29.700 -0.021 0.000 1.134 390 E HN 1.101 nan 8.360 nan 0.000 0.403 391 A N 1.090 123.884 122.820 -0.043 0.000 2.320 391 A HA 0.559 4.872 4.320 -0.010 0.000 0.287 391 A C -0.006 177.526 177.584 -0.087 0.000 1.181 391 A CA -0.264 51.731 52.037 -0.070 0.000 0.831 391 A CB 0.297 19.260 19.000 -0.061 0.000 1.102 391 A HN 0.543 nan 8.150 nan 0.000 0.513 392 A N 4.868 127.608 122.820 -0.133 0.000 2.331 392 A HA 0.692 5.006 4.320 -0.010 0.000 0.283 392 A C -1.992 175.500 177.584 -0.153 0.000 1.142 392 A CA -1.488 50.470 52.037 -0.131 0.000 0.812 392 A CB -0.105 18.807 19.000 -0.147 0.000 1.074 392 A HN 0.713 nan 8.150 nan 0.000 0.497 393 P HA 0.170 nan 4.420 nan 0.000 0.274 393 P C -0.637 176.623 177.300 -0.067 0.000 1.246 393 P CA -0.252 62.808 63.100 -0.067 0.000 0.795 393 P CB 0.592 32.276 31.700 -0.026 0.000 1.006 394 E N 1.823 122.016 120.200 -0.012 0.000 2.290 394 E HA 0.185 4.529 4.350 -0.010 0.000 0.277 394 E C -1.691 174.930 176.600 0.036 0.000 1.035 394 E CA -1.545 54.882 56.400 0.044 0.000 0.873 394 E CB -0.176 29.614 29.700 0.151 0.000 1.029 394 E HN 0.390 nan 8.360 nan 0.000 0.419 395 P HA -0.005 nan 4.420 nan 0.000 0.271 395 P C -0.318 176.981 177.300 -0.001 0.000 1.216 395 P CA -0.251 62.858 63.100 0.016 0.000 0.776 395 P CB 0.597 32.317 31.700 0.033 0.000 0.881 396 V N 2.340 122.229 119.914 -0.042 0.000 2.599 396 V HA 0.463 4.577 4.120 -0.010 0.000 0.300 396 V C 1.183 177.206 176.094 -0.119 0.000 1.034 396 V CA 1.553 63.794 62.300 -0.098 0.000 1.115 396 V CB -0.117 31.647 31.823 -0.099 0.000 0.934 396 V HN 1.113 nan 8.190 nan 0.000 0.485 397 G N 3.410 112.107 108.800 -0.172 0.000 2.320 397 G HA2 0.267 4.221 3.960 -0.010 0.000 0.297 397 G HA3 0.267 4.221 3.960 -0.010 0.000 0.297 397 G C -1.690 173.119 174.900 -0.152 0.000 1.344 397 G CA -0.745 44.246 45.100 -0.182 0.000 0.851 397 G HN 0.775 nan 8.290 nan 0.000 0.567 398 H N -0.107 118.805 119.070 -0.264 0.000 2.572 398 H HA 0.637 5.187 4.556 -0.010 0.000 0.359 398 H C -1.110 173.921 175.328 -0.494 0.000 1.134 398 H CA -0.322 55.617 56.048 -0.182 0.000 1.187 398 H CB 1.899 31.629 29.762 -0.054 0.000 1.597 398 H HN 0.547 nan 8.280 nan 0.000 0.524 399 H N 3.909 122.621 119.070 -0.597 0.000 2.727 399 H HA 0.202 4.752 4.556 -0.011 0.000 0.330 399 H C -0.782 174.126 175.328 -0.699 0.000 0.986 399 H CA -0.658 55.024 56.048 -0.611 0.000 1.251 399 H CB 1.483 30.802 29.762 -0.737 0.000 1.493 399 H HN 0.221 nan 8.280 nan 0.000 0.515 400 L N 4.454 125.474 121.223 -0.339 0.000 2.264 400 L HA 0.366 4.700 4.340 -0.010 0.000 0.287 400 L C -1.346 175.372 176.870 -0.253 0.000 1.039 400 L CA -0.375 54.368 54.840 -0.163 0.000 0.829 400 L CB -0.370 41.709 42.059 0.032 0.000 1.211 400 L HN 0.498 nan 8.230 nan 0.000 0.427 401 F N 5.138 125.058 119.950 -0.051 0.000 2.605 401 F HA 0.355 4.876 4.527 -0.011 0.000 0.352 401 F C 1.496 177.246 175.800 -0.083 0.000 1.236 401 F CA 0.130 58.080 58.000 -0.083 0.000 1.267 401 F CB 0.192 39.128 39.000 -0.107 0.000 1.632 401 F HN 0.718 nan 8.300 nan 0.000 0.639 402 A N 1.977 124.825 122.820 0.048 0.000 1.930 402 A HA -0.028 4.286 4.320 -0.010 0.000 0.217 402 A C 2.392 179.956 177.584 -0.034 0.000 1.175 402 A CA 1.528 53.574 52.037 0.015 0.000 0.627 402 A CB -0.628 18.367 19.000 -0.010 0.000 0.815 402 A HN 0.602 nan 8.150 nan 0.000 0.443 403 A N 0.140 122.896 122.820 -0.107 0.000 2.067 403 A HA -0.002 4.311 4.320 -0.010 0.000 0.219 403 A C 2.017 179.392 177.584 -0.348 0.000 1.158 403 A CA 1.569 53.422 52.037 -0.306 0.000 0.661 403 A CB -0.628 17.982 19.000 -0.651 0.000 0.801 403 A HN 0.835 nan 8.150 nan 0.000 0.452 404 M N -3.007 116.472 119.600 -0.202 0.000 2.484 404 M HA 0.307 4.781 4.480 -0.010 0.000 0.307 404 M C -0.765 175.516 176.300 -0.032 0.000 1.149 404 M CA -0.100 55.118 55.300 -0.137 0.000 0.972 404 M CB 0.077 32.589 32.600 -0.148 0.000 1.400 404 M HN 0.010 nan 8.290 nan 0.000 0.508 405 D N 2.538 122.942 120.400 0.008 0.000 2.697 405 D HA -0.134 4.500 4.640 -0.010 0.000 0.235 405 D C -0.672 175.663 176.300 0.059 0.000 1.167 405 D CA 0.880 54.913 54.000 0.055 0.000 0.656 405 D CB -0.511 40.330 40.800 0.069 0.000 1.025 405 D HN 0.515 nan 8.370 nan 0.000 0.419 406 R N -0.385 120.164 120.500 0.081 0.000 2.744 406 R HA 0.881 5.215 4.340 -0.010 0.000 0.279 406 R C -0.284 176.097 176.300 0.134 0.000 0.977 406 R CA -0.772 55.383 56.100 0.091 0.000 0.906 406 R CB 2.205 32.548 30.300 0.073 0.000 1.197 406 R HN 0.095 nan 8.270 nan 0.000 0.463 407 A N 1.447 124.300 122.820 0.054 0.000 2.414 407 A HA 0.691 5.004 4.320 -0.010 0.000 0.306 407 A C -1.073 176.437 177.584 -0.123 0.000 1.054 407 A CA -0.637 51.349 52.037 -0.086 0.000 0.724 407 A CB 1.806 20.722 19.000 -0.140 0.000 1.267 407 A HN 0.316 nan 8.150 nan 0.000 0.418 408 V N 2.396 122.152 119.914 -0.264 0.000 2.487 408 V HA 0.468 4.582 4.120 -0.010 0.000 0.298 408 V C -0.890 174.997 176.094 -0.346 0.000 1.028 408 V CA -0.408 61.804 62.300 -0.146 0.000 0.860 408 V CB 1.608 33.455 31.823 0.039 0.000 0.991 408 V HN 0.988 nan 8.190 nan 0.000 0.427 409 H N 4.369 123.315 119.070 -0.206 0.000 2.529 409 H HA 0.684 5.235 4.556 -0.010 0.000 0.348 409 H C -0.512 174.788 175.328 -0.047 0.000 1.079 409 H CA -0.589 55.400 56.048 -0.097 0.000 1.198 409 H CB 1.261 31.100 29.762 0.129 0.000 1.521 409 H HN 0.556 nan 8.280 nan 0.000 0.514 410 R N 4.141 124.393 120.500 -0.413 0.000 2.513 410 R HA 0.522 4.856 4.340 -0.010 0.000 0.301 410 R C -0.581 175.394 176.300 -0.541 0.000 0.968 410 R CA -1.043 54.826 56.100 -0.384 0.000 0.872 410 R CB 1.375 31.582 30.300 -0.156 0.000 1.177 410 R HN 0.518 nan 8.270 nan 0.000 0.444 411 R N 2.035 122.184 120.500 -0.585 0.000 2.912 411 R HA 0.352 4.686 4.340 -0.010 0.000 0.262 411 R C -1.970 174.199 176.300 -0.218 0.000 1.057 411 R CA -2.377 53.468 56.100 -0.425 0.000 0.981 411 R CB 0.583 30.562 30.300 -0.534 0.000 1.201 411 R HN 0.282 nan 8.270 nan 0.000 0.484 412 P HA -0.099 nan 4.420 nan 0.000 0.216 412 P C 0.719 178.039 177.300 0.034 0.000 1.150 412 P CA 1.684 64.776 63.100 -0.013 0.000 0.837 412 P CB 0.278 31.986 31.700 0.013 0.000 0.786 413 A N -2.128 120.732 122.820 0.067 0.000 2.081 413 A HA 0.278 4.591 4.320 -0.010 0.000 0.214 413 A C 0.695 178.465 177.584 0.310 0.000 1.158 413 A CA 0.464 52.615 52.037 0.189 0.000 0.724 413 A CB -0.616 18.538 19.000 0.256 0.000 0.826 413 A HN 0.323 nan 8.150 nan 0.000 0.463 414 F N -4.204 115.801 119.950 0.093 0.000 2.741 414 F HA 0.644 5.166 4.527 -0.009 0.000 0.311 414 F C -1.080 174.799 175.800 0.133 0.000 1.149 414 F CA -0.858 57.225 58.000 0.139 0.000 0.930 414 F CB 0.740 39.799 39.000 0.099 0.000 1.312 414 F HN -0.266 nan 8.300 nan 0.000 0.450 415 T N 1.705 116.462 114.554 0.338 0.000 2.863 415 T HA 0.874 5.218 4.350 -0.010 0.000 0.285 415 T C -0.920 174.200 174.700 0.701 0.000 1.009 415 T CA -0.441 61.786 62.100 0.212 0.000 0.989 415 T CB 1.567 70.254 68.868 -0.302 0.000 1.004 415 T HN 1.049 nan 8.240 nan 0.000 0.455 416 A N 1.403 124.605 122.820 0.637 0.000 2.475 416 A HA 0.920 5.234 4.320 -0.010 0.000 0.301 416 A C -0.265 177.623 177.584 0.507 0.000 1.059 416 A CA -0.838 51.624 52.037 0.707 0.000 0.710 416 A CB 1.782 21.292 19.000 0.849 0.000 1.288 416 A HN 1.056 nan 8.150 nan 0.000 0.408 417 G N 0.268 109.326 108.800 0.431 0.000 2.590 417 G HA2 0.599 4.553 3.960 -0.010 0.000 0.310 417 G HA3 0.599 4.553 3.960 -0.010 0.000 0.310 417 G C -1.508 173.498 174.900 0.177 0.000 1.347 417 G CA -0.370 44.889 45.100 0.267 0.000 0.963 417 G HN 1.020 nan 8.290 nan 0.000 0.494 418 L N 2.264 123.547 121.223 0.100 0.000 2.329 418 L HA 0.897 5.231 4.340 -0.010 0.000 0.279 418 L C 0.033 176.894 176.870 -0.016 0.000 1.014 418 L CA -0.841 53.996 54.840 -0.004 0.000 0.814 418 L CB 1.817 43.805 42.059 -0.118 0.000 1.257 418 L HN 0.701 nan 8.230 nan 0.000 0.424 419 A N 6.363 129.178 122.820 -0.009 0.000 2.319 419 A HA 0.824 5.138 4.320 -0.010 0.000 0.310 419 A C -0.632 176.990 177.584 0.063 0.000 1.152 419 A CA -0.615 51.444 52.037 0.035 0.000 0.783 419 A CB 0.737 19.779 19.000 0.070 0.000 1.184 419 A HN 0.825 nan 8.150 nan 0.000 0.474 420 M N 1.123 120.771 119.600 0.080 0.000 2.826 420 M HA 0.854 5.328 4.480 -0.010 0.000 0.288 420 M C 0.053 176.431 176.300 0.131 0.000 1.141 420 M CA -0.654 54.733 55.300 0.146 0.000 0.816 420 M CB 2.107 34.813 32.600 0.177 0.000 1.704 420 M HN 0.841 nan 8.290 nan 0.000 0.497 421 A N 0.168 123.064 122.820 0.126 0.000 2.606 421 A HA 0.880 5.194 4.320 -0.010 0.000 0.293 421 A C -1.079 176.512 177.584 0.012 0.000 1.082 421 A CA -0.328 51.725 52.037 0.027 0.000 0.685 421 A CB 1.663 20.616 19.000 -0.079 0.000 1.284 421 A HN 0.907 nan 8.150 nan 0.000 0.408 422 S N -0.617 115.061 115.700 -0.038 0.000 2.703 422 S HA 0.508 4.972 4.470 -0.010 0.000 0.273 422 S C 0.035 174.618 174.600 -0.028 0.000 1.178 422 S CA 0.279 58.485 58.200 0.011 0.000 0.838 422 S CB 0.732 63.982 63.200 0.083 0.000 1.178 422 S HN 1.110 nan 8.310 nan 0.000 0.494 423 D N 0.471 120.879 120.400 0.012 0.000 2.309 423 D HA -0.115 4.519 4.640 -0.010 0.000 0.212 423 D C 1.312 177.642 176.300 0.050 0.000 0.968 423 D CA 0.907 54.911 54.000 0.006 0.000 0.882 423 D CB -0.309 40.515 40.800 0.040 0.000 0.918 423 D HN 0.573 nan 8.370 nan 0.000 0.503 424 R N -0.703 119.855 120.500 0.096 0.000 2.237 424 R HA 0.281 4.615 4.340 -0.010 0.000 0.195 424 R C 0.118 176.556 176.300 0.231 0.000 0.956 424 R CA 0.138 56.353 56.100 0.191 0.000 1.029 424 R CB 0.955 31.332 30.300 0.128 0.000 0.972 424 R HN 0.140 nan 8.270 nan 0.000 0.493 425 I N 1.004 121.643 120.570 0.114 0.000 2.500 425 I HA 0.289 4.453 4.170 -0.010 0.000 0.286 425 I C -0.170 175.965 176.117 0.031 0.000 1.063 425 I CA -1.246 60.116 61.300 0.102 0.000 1.062 425 I CB 1.380 39.413 38.000 0.055 0.000 1.223 425 I HN -0.011 nan 8.210 nan 0.000 0.435 426 A N 4.856 127.721 122.820 0.075 0.000 2.555 426 A HA 0.036 4.350 4.320 -0.010 0.000 0.233 426 A C 1.156 178.776 177.584 0.059 0.000 1.060 426 A CA 0.486 52.537 52.037 0.022 0.000 0.759 426 A CB -0.207 18.844 19.000 0.085 0.000 0.995 426 A HN 0.832 nan 8.150 nan 0.000 0.506 427 H N 0.213 119.362 119.070 0.132 0.000 2.353 427 H HA -0.011 4.539 4.556 -0.010 0.000 0.298 427 H C 0.178 175.690 175.328 0.307 0.000 1.103 427 H CA 2.981 59.160 56.048 0.218 0.000 1.293 427 H CB -0.091 29.838 29.762 0.279 0.000 1.372 427 H HN 0.839 nan 8.280 nan 0.000 0.501 428 Y N -2.475 117.901 120.300 0.128 0.000 2.774 428 Y HA 0.319 4.862 4.550 -0.010 0.000 0.346 428 Y C -1.866 174.031 175.900 -0.006 0.000 1.222 428 Y CA -1.954 56.157 58.100 0.018 0.000 1.088 428 Y CB 0.881 39.316 38.460 -0.041 0.000 1.354 428 Y HN -0.049 nan 8.280 nan 0.000 0.455 429 E N 1.847 121.908 120.200 -0.231 0.000 2.165 429 E HA 0.680 5.024 4.350 -0.010 0.000 0.266 429 E C -1.151 175.210 176.600 -0.399 0.000 0.889 429 E CA -0.760 55.458 56.400 -0.303 0.000 0.756 429 E CB 1.155 30.865 29.700 0.017 0.000 1.131 429 E HN 0.961 nan 8.360 nan 0.000 0.411 430 C N 2.131 121.050 119.300 -0.635 0.000 2.667 430 C HA 1.084 5.537 4.460 -0.010 0.000 0.323 430 C C 0.416 174.925 174.990 -0.802 0.000 1.214 430 C CA -0.097 58.613 59.018 -0.512 0.000 1.721 430 C CB 0.436 27.945 27.740 -0.385 0.000 2.275 430 C HN 0.854 nan 8.230 nan 0.000 0.491 431 G N 1.270 109.635 108.800 -0.725 0.000 2.384 431 G HA2 0.451 4.405 3.960 -0.010 0.000 0.300 431 G HA3 0.451 4.405 3.960 -0.010 0.000 0.300 431 G C -0.760 173.915 174.900 -0.375 0.000 1.582 431 G CA -0.529 43.904 45.100 -1.111 0.000 0.875 431 G HN 1.113 nan 8.290 nan 0.000 0.628 432 N N -0.911 117.739 118.700 -0.084 0.000 2.725 432 N HA -0.161 4.573 4.740 -0.010 0.000 0.249 432 N C 1.607 177.114 175.510 -0.005 0.000 1.103 432 N CA 2.953 56.052 53.050 0.082 0.000 0.707 432 N CB -1.051 37.547 38.487 0.185 0.000 1.043 432 N HN 2.478 nan 8.380 nan 0.000 0.553 433 G N -1.346 107.417 108.800 -0.060 0.000 2.143 433 G HA2 -0.317 3.637 3.960 -0.010 0.000 0.249 433 G HA3 -0.317 3.637 3.960 -0.010 0.000 0.249 433 G C -0.262 174.588 174.900 -0.083 0.000 0.981 433 G CA 0.641 45.704 45.100 -0.061 0.000 0.665 433 G HN 0.587 nan 8.290 nan 0.000 0.528 434 E N -0.294 119.836 120.200 -0.116 0.000 2.202 434 E HA 0.512 4.855 4.350 -0.010 0.000 0.272 434 E C 0.523 177.021 176.600 -0.170 0.000 0.951 434 E CA -0.849 55.485 56.400 -0.109 0.000 0.813 434 E CB 0.996 30.651 29.700 -0.074 0.000 1.151 434 E HN 0.125 nan 8.360 nan 0.000 0.398 435 N N 1.516 120.106 118.700 -0.183 0.000 2.738 435 N HA -0.126 4.608 4.740 -0.010 0.000 0.249 435 N C -1.864 173.435 175.510 -0.353 0.000 1.047 435 N CA 0.313 53.192 53.050 -0.284 0.000 0.707 435 N CB -0.420 37.956 38.487 -0.185 0.000 0.937 435 N HN 0.380 nan 8.380 nan 0.000 0.545 436 P HA -0.091 nan 4.420 nan 0.000 0.226 436 P C 0.330 177.184 177.300 -0.745 0.000 1.153 436 P CA 1.032 63.905 63.100 -0.379 0.000 0.777 436 P CB 0.218 31.747 31.700 -0.285 0.000 0.794 437 R N -0.419 119.291 120.500 -1.317 0.000 2.586 437 R HA 0.275 4.609 4.340 -0.010 0.000 0.336 437 R C 1.514 176.409 176.300 -2.342 0.000 1.060 437 R CA 0.004 54.716 56.100 -2.313 0.000 1.079 437 R CB 0.147 29.192 30.300 -2.091 0.000 1.317 437 R HN 0.087 nan 8.270 nan 0.000 0.568 438 G N 0.047 107.874 108.800 -1.622 0.000 3.210 438 G HA2 -0.088 3.866 3.960 -0.010 0.000 0.220 438 G HA3 -0.088 3.866 3.960 -0.010 0.000 0.220 438 G C 0.756 175.025 174.900 -1.052 0.000 1.200 438 G CA -0.404 44.155 45.100 -0.902 0.000 0.834 438 G HN 0.348 nan 8.290 nan 0.000 0.524 439 W N 0.345 120.834 121.300 -1.353 0.000 2.305 439 W HA -0.121 4.533 4.660 -0.010 0.000 0.308 439 W C 1.279 177.369 176.519 -0.716 0.000 1.226 439 W CA 0.858 57.371 57.345 -1.387 0.000 1.253 439 W CB -0.679 28.014 29.460 -1.278 0.000 1.146 439 W HN 0.365 nan 8.180 nan 0.000 0.507 440 H N -0.369 118.744 119.070 0.072 0.000 2.520 440 H HA 0.092 4.642 4.556 -0.010 0.000 0.284 440 H C 2.044 177.485 175.328 0.188 0.000 1.037 440 H CA 1.194 57.329 56.048 0.145 0.000 1.168 440 H CB -0.651 29.215 29.762 0.172 0.000 1.497 440 H HN 0.076 nan 8.280 nan 0.000 0.547 441 T N -2.398 112.304 114.554 0.247 0.000 2.929 441 T HA -0.069 4.275 4.350 -0.010 0.000 0.271 441 T C 2.022 176.860 174.700 0.231 0.000 1.085 441 T CA 1.133 63.380 62.100 0.244 0.000 1.125 441 T CB -0.218 68.754 68.868 0.173 0.000 0.874 441 T HN 0.357 nan 8.240 nan 0.000 0.494 442 G N 0.078 109.042 108.800 0.273 0.000 3.233 442 G HA2 0.514 4.468 3.960 -0.010 0.000 0.234 442 G HA3 0.514 4.468 3.960 -0.010 0.000 0.234 442 G C 0.874 175.968 174.900 0.324 0.000 1.137 442 G CA 0.041 45.304 45.100 0.271 0.000 0.763 442 G HN 0.659 nan 8.290 nan 0.000 0.549 443 A N 0.396 123.425 122.820 0.348 0.000 2.929 443 A HA 0.552 4.866 4.320 -0.010 0.000 0.279 443 A C 1.507 179.316 177.584 0.375 0.000 1.418 443 A CA 0.420 52.667 52.037 0.351 0.000 1.035 443 A CB -0.858 18.323 19.000 0.301 0.000 1.047 443 A HN 1.415 nan 8.150 nan 0.000 0.609 444 G N -0.163 108.874 108.800 0.395 0.000 2.248 444 G HA2 -0.218 3.736 3.960 -0.010 0.000 0.252 444 G HA3 -0.218 3.736 3.960 -0.010 0.000 0.252 444 G C 0.039 175.190 174.900 0.419 0.000 1.085 444 G CA 0.219 45.647 45.100 0.546 0.000 0.845 444 G HN 0.727 nan 8.290 nan 0.000 0.494 445 M N 0.523 120.279 119.600 0.260 0.000 2.143 445 M HA 0.583 5.057 4.480 -0.010 0.000 0.348 445 M C -0.194 176.208 176.300 0.170 0.000 1.375 445 M CA -0.717 54.726 55.300 0.237 0.000 1.124 445 M CB 0.492 33.225 32.600 0.223 0.000 1.669 445 M HN 0.260 nan 8.290 nan 0.000 0.469 446 L N 7.192 128.560 121.223 0.242 0.000 2.276 446 L HA 0.499 4.832 4.340 -0.010 0.000 0.286 446 L C -0.274 176.741 176.870 0.242 0.000 1.024 446 L CA 0.047 55.041 54.840 0.256 0.000 0.826 446 L CB 1.364 43.666 42.059 0.406 0.000 1.211 446 L HN 0.771 nan 8.230 nan 0.000 0.422 447 T N 2.534 117.142 114.554 0.089 0.000 2.902 447 T HA 0.755 5.099 4.350 -0.010 0.000 0.283 447 T C -0.633 174.025 174.700 -0.069 0.000 1.009 447 T CA -0.615 61.355 62.100 -0.218 0.000 1.051 447 T CB 1.130 69.572 68.868 -0.710 0.000 0.999 447 T HN 0.705 nan 8.240 nan 0.000 0.474 448 W N 0.664 121.726 121.300 -0.398 0.000 3.066 448 W HA 0.566 5.220 4.660 -0.011 0.000 0.330 448 W C -2.353 173.899 176.519 -0.444 0.000 1.253 448 W CA -1.608 55.581 57.345 -0.260 0.000 1.187 448 W CB 0.732 30.257 29.460 0.108 0.000 1.434 448 W HN 0.637 nan 8.180 nan 0.000 0.572 449 W N 1.216 122.924 121.300 0.681 0.000 2.883 449 W HA 0.533 5.188 4.660 -0.009 0.000 0.335 449 W C -0.526 176.311 176.519 0.530 0.000 1.083 449 W CA -1.363 56.276 57.345 0.489 0.000 1.233 449 W CB 2.316 31.983 29.460 0.344 0.000 1.412 449 W HN 0.611 nan 8.180 nan 0.000 0.490 450 A N 3.484 126.688 122.820 0.640 0.000 2.409 450 A HA 0.311 4.624 4.320 -0.010 0.000 0.267 450 A C 0.223 178.043 177.584 0.395 0.000 1.127 450 A CA -0.290 52.017 52.037 0.451 0.000 0.795 450 A CB 0.019 19.205 19.000 0.310 0.000 1.061 450 A HN 0.553 nan 8.150 nan 0.000 0.502 451 N N 0.913 119.820 118.700 0.346 0.000 2.453 451 N HA 0.372 5.106 4.740 -0.010 0.000 0.253 451 N C 1.278 176.920 175.510 0.219 0.000 1.252 451 N CA 1.263 54.493 53.050 0.300 0.000 0.917 451 N CB 0.726 39.353 38.487 0.233 0.000 1.117 451 N HN 1.186 nan 8.380 nan 0.000 0.442 452 G N -0.574 108.340 108.800 0.189 0.000 2.166 452 G HA2 -0.274 3.680 3.960 -0.010 0.000 0.260 452 G HA3 -0.274 3.680 3.960 -0.010 0.000 0.260 452 G C 0.223 175.195 174.900 0.120 0.000 0.986 452 G CA 1.096 46.274 45.100 0.129 0.000 0.683 452 G HN 0.922 nan 8.290 nan 0.000 0.527 453 T N -3.234 111.410 114.554 0.151 0.000 2.930 453 T HA 0.682 5.026 4.350 -0.010 0.000 0.290 453 T C 0.209 174.985 174.700 0.126 0.000 1.052 453 T CA -0.293 61.877 62.100 0.117 0.000 1.017 453 T CB 2.022 70.953 68.868 0.104 0.000 1.137 453 T HN 0.561 nan 8.240 nan 0.000 0.511 454 R N 0.821 121.373 120.500 0.087 0.000 2.502 454 R HA 0.350 4.684 4.340 -0.010 0.000 0.292 454 R C 0.495 176.886 176.300 0.152 0.000 0.998 454 R CA 0.165 56.315 56.100 0.083 0.000 1.056 454 R CB -0.100 30.226 30.300 0.043 0.000 0.939 454 R HN 0.838 nan 8.270 nan 0.000 0.411 455 A N 4.783 127.724 122.820 0.200 0.000 3.135 455 A HA 0.062 4.376 4.320 -0.010 0.000 0.253 455 A C -0.079 177.774 177.584 0.450 0.000 1.638 455 A CA -0.331 51.926 52.037 0.366 0.000 1.295 455 A CB -0.262 18.867 19.000 0.215 0.000 1.106 455 A HN 0.866 nan 8.150 nan 0.000 0.648 456 D N -1.108 119.455 120.400 0.272 0.000 2.440 456 D HA -0.011 4.623 4.640 -0.010 0.000 0.216 456 D C 1.230 177.599 176.300 0.116 0.000 1.150 456 D CA -0.070 54.052 54.000 0.203 0.000 0.832 456 D CB -0.043 40.803 40.800 0.077 0.000 0.992 456 D HN 0.297 nan 8.370 nan 0.000 0.502 457 Q N 0.641 120.455 119.800 0.023 0.000 2.082 457 Q HA -0.255 4.079 4.340 -0.010 0.000 0.211 457 Q C 0.744 176.436 176.000 -0.513 0.000 1.002 457 Q CA 1.991 57.557 55.803 -0.395 0.000 0.868 457 Q CB -0.615 27.604 28.738 -0.865 0.000 0.931 457 Q HN 0.500 nan 8.270 nan 0.000 0.414 458 Y N -1.115 119.149 120.300 -0.061 0.000 2.466 458 Y HA 0.213 4.756 4.550 -0.011 0.000 0.272 458 Y C 1.889 177.833 175.900 0.072 0.000 1.169 458 Y CA 0.903 58.819 58.100 -0.307 0.000 1.285 458 Y CB 0.322 38.586 38.460 -0.327 0.000 1.078 458 Y HN 0.110 nan 8.280 nan 0.000 0.523 459 T N -1.629 113.086 114.554 0.270 0.000 3.039 459 T HA -0.059 4.285 4.350 -0.010 0.000 0.250 459 T C 0.572 175.438 174.700 0.277 0.000 1.052 459 T CA 0.694 62.983 62.100 0.316 0.000 1.125 459 T CB -0.056 69.003 68.868 0.318 0.000 0.908 459 T HN 0.032 nan 8.240 nan 0.000 0.473 460 D N 0.097 120.634 120.400 0.230 0.000 2.741 460 D HA 0.112 4.746 4.640 -0.010 0.000 0.233 460 D C -0.816 175.720 176.300 0.393 0.000 1.160 460 D CA -0.772 53.397 54.000 0.282 0.000 1.003 460 D CB -0.759 40.123 40.800 0.137 0.000 1.064 460 D HN 0.267 nan 8.370 nan 0.000 0.503 461 W N 0.984 122.381 121.300 0.161 0.000 5.121 461 W HA -0.300 4.353 4.660 -0.010 0.000 0.372 461 W C 0.870 177.373 176.519 -0.027 0.000 1.394 461 W CA -0.076 57.296 57.345 0.046 0.000 0.885 461 W CB -2.757 26.708 29.460 0.010 0.000 2.520 461 W HN 0.375 nan 8.180 nan 0.000 1.455 462 F N -0.701 119.221 119.950 -0.046 0.000 2.039 462 F HA -0.068 4.454 4.527 -0.010 0.000 0.294 462 F C 2.186 177.867 175.800 -0.198 0.000 1.130 462 F CA 2.337 60.232 58.000 -0.175 0.000 1.189 462 F CB -0.543 38.189 39.000 -0.447 0.000 0.983 462 F HN -0.054 nan 8.300 nan 0.000 0.471 463 W N 1.173 122.614 121.300 0.235 0.000 2.388 463 W HA -0.065 4.588 4.660 -0.011 0.000 0.294 463 W C -0.591 175.826 176.519 -0.169 0.000 1.212 463 W CA 0.746 58.120 57.345 0.049 0.000 1.271 463 W CB -1.955 27.666 29.460 0.269 0.000 1.126 463 W HN 0.072 nan 8.180 nan 0.000 0.535 464 P HA -0.027 nan 4.420 nan 0.000 0.241 464 P C 1.071 178.332 177.300 -0.065 0.000 1.191 464 P CA 1.811 64.719 63.100 -0.320 0.000 0.771 464 P CB -0.022 31.116 31.700 -0.937 0.000 0.929 465 T N -4.665 109.867 114.554 -0.037 0.000 2.985 465 T HA 0.145 4.489 4.350 -0.010 0.000 0.254 465 T C 0.696 175.211 174.700 -0.309 0.000 1.021 465 T CA -0.175 61.927 62.100 0.004 0.000 0.957 465 T CB -0.647 68.370 68.868 0.247 0.000 1.047 465 T HN -0.129 nan 8.240 nan 0.000 0.511 466 V N 2.985 122.536 119.914 -0.606 0.000 2.843 466 V HA 0.232 4.346 4.120 -0.010 0.000 0.305 466 V C -0.035 175.483 176.094 -0.960 0.000 1.065 466 V CA -0.316 61.191 62.300 -1.321 0.000 1.116 466 V CB 0.773 31.730 31.823 -1.442 0.000 0.968 466 V HN 0.484 nan 8.190 nan 0.000 0.487 467 D N 5.210 125.051 120.400 -0.933 0.000 2.342 467 D HA 0.034 4.668 4.640 -0.010 0.000 0.260 467 D C 0.395 176.499 176.300 -0.327 0.000 1.278 467 D CA 0.126 53.854 54.000 -0.453 0.000 0.910 467 D CB 0.315 40.872 40.800 -0.404 0.000 1.079 467 D HN 0.615 nan 8.370 nan 0.000 0.496 468 W N 2.698 123.923 121.300 -0.125 0.000 2.825 468 W HA -0.036 4.618 4.660 -0.010 0.000 0.243 468 W C 1.061 177.554 176.519 -0.042 0.000 1.293 468 W CA -0.116 57.157 57.345 -0.119 0.000 1.403 468 W CB -0.219 29.056 29.460 -0.308 0.000 1.134 468 W HN 0.554 nan 8.180 nan 0.000 0.666 469 Y N -0.508 119.970 120.300 0.295 0.000 2.546 469 Y HA 0.116 4.660 4.550 -0.010 0.000 0.287 469 Y C 1.196 177.088 175.900 -0.012 0.000 1.158 469 Y CA 0.754 58.968 58.100 0.190 0.000 1.307 469 Y CB -0.081 38.415 38.460 0.060 0.000 1.036 469 Y HN -0.229 nan 8.280 nan 0.000 0.532 470 R N 0.687 121.192 120.500 0.010 0.000 2.782 470 R HA 0.302 4.636 4.340 -0.010 0.000 0.293 470 R C -1.125 175.125 176.300 -0.083 0.000 1.333 470 R CA -0.173 55.864 56.100 -0.104 0.000 1.479 470 R CB 0.265 30.411 30.300 -0.256 0.000 1.306 470 R HN 0.122 nan 8.270 nan 0.000 0.654 471 L N 2.520 123.763 121.223 0.034 0.000 2.417 471 L HA 0.308 4.641 4.340 -0.010 0.000 0.268 471 L C -1.772 175.180 176.870 0.136 0.000 1.158 471 L CA -1.932 52.971 54.840 0.105 0.000 0.819 471 L CB 0.256 42.451 42.059 0.226 0.000 1.112 471 L HN -0.022 nan 8.230 nan 0.000 0.458 472 P HA 0.019 nan 4.420 nan 0.000 0.267 472 P C 0.745 178.210 177.300 0.274 0.000 1.205 472 P CA 0.653 63.877 63.100 0.206 0.000 0.765 472 P CB 1.049 32.889 31.700 0.234 0.000 0.828 473 G N 2.183 111.165 108.800 0.303 0.000 2.253 473 G HA2 -0.234 3.719 3.960 -0.010 0.000 0.251 473 G HA3 -0.234 3.719 3.960 -0.010 0.000 0.251 473 G C 0.361 175.498 174.900 0.395 0.000 0.998 473 G CA 0.486 45.849 45.100 0.439 0.000 0.621 473 G HN 0.870 nan 8.290 nan 0.000 0.524 474 T N -0.857 113.863 114.554 0.277 0.000 2.899 474 T HA 0.608 4.952 4.350 -0.010 0.000 0.284 474 T C 0.003 174.806 174.700 0.172 0.000 1.004 474 T CA 0.531 62.783 62.100 0.254 0.000 1.043 474 T CB 2.069 71.054 68.868 0.196 0.000 1.013 474 T HN 0.342 nan 8.240 nan 0.000 0.518 475 T N 2.095 116.756 114.554 0.179 0.000 2.779 475 T HA 0.626 4.970 4.350 -0.010 0.000 0.280 475 T C -0.297 174.425 174.700 0.038 0.000 0.987 475 T CA -0.645 61.538 62.100 0.138 0.000 0.966 475 T CB 0.968 69.958 68.868 0.204 0.000 0.933 475 T HN 1.035 nan 8.240 nan 0.000 0.442 476 V N 0.550 120.449 119.914 -0.024 0.000 2.932 476 V HA 0.805 4.919 4.120 -0.010 0.000 0.307 476 V C -0.001 176.048 176.094 -0.075 0.000 1.147 476 V CA -1.064 61.137 62.300 -0.164 0.000 0.951 476 V CB 1.868 33.409 31.823 -0.470 0.000 1.031 476 V HN 0.772 nan 8.190 nan 0.000 0.426 477 S N 1.996 117.654 115.700 -0.069 0.000 2.562 477 S HA 0.244 4.708 4.470 -0.010 0.000 0.281 477 S C 1.353 175.928 174.600 -0.043 0.000 1.333 477 S CA 0.439 58.616 58.200 -0.039 0.000 1.052 477 S CB 0.952 64.135 63.200 -0.028 0.000 0.884 477 S HN 1.767 nan 8.310 nan 0.000 0.506 478 T N 1.652 116.169 114.554 -0.061 0.000 3.148 478 T HA 0.137 4.481 4.350 -0.010 0.000 0.253 478 T C 0.636 175.241 174.700 -0.158 0.000 1.134 478 T CA -0.114 61.919 62.100 -0.113 0.000 1.051 478 T CB -0.249 68.525 68.868 -0.157 0.000 0.959 478 T HN 0.646 nan 8.240 nan 0.000 0.525 479 K N 1.820 122.163 120.400 -0.095 0.000 2.511 479 K HA 0.018 4.331 4.320 -0.010 0.000 0.280 479 K C -0.301 176.224 176.600 -0.126 0.000 1.008 479 K CA -0.345 55.877 56.287 -0.109 0.000 1.050 479 K CB 0.395 32.848 32.500 -0.078 0.000 0.889 479 K HN 0.034 nan 8.250 nan 0.000 0.484 480 R N 3.328 123.723 120.500 -0.175 0.000 2.491 480 R HA 0.267 4.601 4.340 -0.010 0.000 0.283 480 R C -0.373 175.848 176.300 -0.132 0.000 1.072 480 R CA -0.091 55.921 56.100 -0.148 0.000 1.048 480 R CB 0.189 30.401 30.300 -0.146 0.000 0.983 480 R HN 0.506 nan 8.270 nan 0.000 0.450 481 L N 1.584 122.677 121.223 -0.216 0.000 2.342 481 L HA 0.637 4.971 4.340 -0.010 0.000 0.271 481 L C 0.269 177.022 176.870 -0.196 0.000 1.008 481 L CA -1.376 53.177 54.840 -0.478 0.000 0.818 481 L CB 1.993 43.236 42.059 -1.360 0.000 1.296 481 L HN 0.635 nan 8.230 nan 0.000 0.427 482 A N 0.861 123.627 122.820 -0.090 0.000 2.386 482 A HA 0.212 4.526 4.320 -0.010 0.000 0.248 482 A C -0.483 177.260 177.584 0.264 0.000 1.082 482 A CA -0.495 51.586 52.037 0.073 0.000 0.789 482 A CB -0.003 19.020 19.000 0.038 0.000 1.025 482 A HN 0.698 nan 8.150 nan 0.000 0.490 483 D N 1.043 121.582 120.400 0.231 0.000 2.533 483 D HA 0.144 4.778 4.640 -0.010 0.000 0.236 483 D C 0.773 177.164 176.300 0.153 0.000 1.137 483 D CA 0.993 55.095 54.000 0.170 0.000 0.867 483 D CB 0.084 40.908 40.800 0.041 0.000 1.170 483 D HN 0.589 nan 8.370 nan 0.000 0.474 484 R N -0.343 120.251 120.500 0.157 0.000 3.951 484 R HA -0.203 4.131 4.340 -0.010 0.000 0.352 484 R C -0.011 176.417 176.300 0.213 0.000 1.178 484 R CA 0.722 56.906 56.100 0.139 0.000 0.949 484 R CB -2.035 28.265 30.300 -0.000 0.000 1.452 484 R HN 0.514 nan 8.270 nan 0.000 0.540 485 A N 0.508 123.527 122.820 0.332 0.000 2.546 485 A HA 0.393 4.707 4.320 -0.010 0.000 0.243 485 A C 1.688 179.414 177.584 0.235 0.000 1.063 485 A CA 1.240 53.390 52.037 0.189 0.000 0.757 485 A CB 0.073 19.076 19.000 0.007 0.000 0.991 485 A HN 0.967 nan 8.150 nan 0.000 0.503 486 G N 1.085 109.951 108.800 0.110 0.000 2.234 486 G HA2 0.315 4.269 3.960 -0.010 0.000 0.235 486 G HA3 0.315 4.269 3.960 -0.010 0.000 0.235 486 G C 1.596 176.512 174.900 0.027 0.000 0.997 486 G CA 0.642 45.800 45.100 0.097 0.000 0.623 486 G HN 3.192 nan 8.290 nan 0.000 0.514 487 G N -0.866 107.934 108.800 -0.000 0.000 2.663 487 G HA2 0.276 4.230 3.960 -0.010 0.000 0.686 487 G HA3 0.276 4.230 3.960 -0.010 0.000 0.686 487 G C -0.540 174.242 174.900 -0.197 0.000 1.288 487 G CA 0.265 45.325 45.100 -0.067 0.000 0.836 487 G HN 0.946 nan 8.290 nan 0.000 0.584 488 E N -0.878 119.181 120.200 -0.236 0.000 2.280 488 E HA 0.482 4.826 4.350 -0.010 0.000 0.261 488 E C -0.139 176.299 176.600 -0.271 0.000 1.088 488 E CA -0.316 55.784 56.400 -0.500 0.000 0.915 488 E CB 0.644 29.897 29.700 -0.745 0.000 1.141 488 E HN 0.771 nan 8.360 nan 0.000 0.433 489 W N 0.287 121.565 121.300 -0.036 0.000 5.121 489 W HA -0.222 4.432 4.660 -0.011 0.000 0.372 489 W C 1.023 177.629 176.519 0.144 0.000 1.394 489 W CA 0.094 57.464 57.345 0.042 0.000 0.885 489 W CB -1.868 27.581 29.460 -0.018 0.000 2.520 489 W HN 0.948 nan 8.180 nan 0.000 1.455 490 G N -1.466 107.434 108.800 0.167 0.000 2.143 490 G HA2 -0.133 3.821 3.960 -0.010 0.000 0.248 490 G HA3 -0.133 3.821 3.960 -0.010 0.000 0.248 490 G C 1.196 176.125 174.900 0.049 0.000 0.991 490 G CA 0.611 45.827 45.100 0.192 0.000 0.689 490 G HN 1.311 nan 8.290 nan 0.000 0.522 491 A N 0.436 123.237 122.820 -0.031 0.000 1.917 491 A HA 0.145 4.459 4.320 -0.010 0.000 0.219 491 A C -0.117 177.322 177.584 -0.241 0.000 1.182 491 A CA 1.952 53.871 52.037 -0.196 0.000 0.633 491 A CB -0.855 18.098 19.000 -0.077 0.000 0.819 491 A HN 0.610 nan 8.150 nan 0.000 0.448 492 P HA 0.377 nan 4.420 nan 0.000 0.286 492 P C -1.083 176.224 177.300 0.012 0.000 1.321 492 P CA 0.150 63.263 63.100 0.022 0.000 0.790 492 P CB 0.833 32.648 31.700 0.191 0.000 0.897 493 K N 4.828 125.160 120.400 -0.115 0.000 2.324 493 K HA 0.496 4.810 4.320 -0.010 0.000 0.253 493 K C -2.348 174.154 176.600 -0.163 0.000 0.932 493 K CA -2.295 53.856 56.287 -0.227 0.000 0.799 493 K CB 1.786 34.122 32.500 -0.273 0.000 1.154 493 K HN 0.334 nan 8.250 nan 0.000 0.425 494 P HA -0.006 nan 4.420 nan 0.000 0.271 494 P C -0.772 176.484 177.300 -0.073 0.000 1.218 494 P CA -0.140 62.907 63.100 -0.087 0.000 0.780 494 P CB 0.643 32.272 31.700 -0.118 0.000 0.901 495 D N 2.424 122.798 120.400 -0.043 0.000 2.608 495 D HA 0.240 4.874 4.640 -0.010 0.000 0.224 495 D C -0.246 176.028 176.300 -0.044 0.000 1.123 495 D CA -0.235 53.746 54.000 -0.031 0.000 1.030 495 D CB -0.806 39.987 40.800 -0.012 0.000 1.093 495 D HN 0.165 nan 8.370 nan 0.000 0.497 496 V N -0.236 119.661 119.914 -0.029 0.000 3.114 496 V HA 0.614 4.728 4.120 -0.010 0.000 0.308 496 V C 0.589 176.765 176.094 0.137 0.000 1.168 496 V CA -0.929 61.379 62.300 0.012 0.000 1.015 496 V CB 2.170 33.903 31.823 -0.149 0.000 1.050 496 V HN 0.141 nan 8.190 nan 0.000 0.433 497 R N 0.744 121.400 120.500 0.261 0.000 2.276 497 R HA 0.240 4.574 4.340 -0.010 0.000 0.195 497 R C 0.124 176.629 176.300 0.341 0.000 0.908 497 R CA 0.117 56.366 56.100 0.248 0.000 1.083 497 R CB 0.564 30.998 30.300 0.223 0.000 1.182 497 R HN 0.758 nan 8.270 nan 0.000 0.608 498 W N 2.744 124.231 121.300 0.312 0.000 2.430 498 W HA 0.302 4.956 4.660 -0.010 0.000 0.380 498 W C -1.053 175.707 176.519 0.402 0.000 1.045 498 W CA -0.101 57.460 57.345 0.360 0.000 1.547 498 W CB 0.575 30.344 29.460 0.514 0.000 1.554 498 W HN -0.268 nan 8.180 nan 0.000 0.378 499 V N 5.951 126.212 119.914 0.578 0.000 2.612 499 V HA 0.885 4.999 4.120 -0.010 0.000 0.301 499 V C 0.278 176.535 176.094 0.272 0.000 1.059 499 V CA -0.235 62.379 62.300 0.524 0.000 0.886 499 V CB 0.937 32.969 31.823 0.348 0.000 1.007 499 V HN 0.660 nan 8.190 nan 0.000 0.426 500 G N 2.833 111.812 108.800 0.299 0.000 2.368 500 G HA2 0.694 4.648 3.960 -0.010 0.000 0.269 500 G HA3 0.694 4.648 3.960 -0.010 0.000 0.269 500 G C -0.373 174.608 174.900 0.135 0.000 1.291 500 G CA 0.594 45.751 45.100 0.095 0.000 0.903 500 G HN 1.609 nan 8.290 nan 0.000 0.483 501 G N -1.808 107.002 108.800 0.016 0.000 2.320 501 G HA2 0.804 4.758 3.960 -0.010 0.000 0.296 501 G HA3 0.804 4.758 3.960 -0.010 0.000 0.296 501 G C -1.170 173.735 174.900 0.008 0.000 1.306 501 G CA 0.809 45.948 45.100 0.064 0.000 0.836 501 G HN 2.224 nan 8.290 nan 0.000 0.517 502 A N -0.835 122.002 122.820 0.028 0.000 2.414 502 A HA 0.946 5.260 4.320 -0.010 0.000 0.306 502 A C -0.390 177.187 177.584 -0.013 0.000 1.054 502 A CA 0.025 52.064 52.037 0.004 0.000 0.724 502 A CB 2.140 21.157 19.000 0.028 0.000 1.267 502 A HN 1.722 nan 8.150 nan 0.000 0.418 503 T N -0.086 114.447 114.554 -0.035 0.000 2.916 503 T HA 0.475 4.819 4.350 -0.010 0.000 0.305 503 T C -0.645 174.028 174.700 -0.046 0.000 1.119 503 T CA 0.018 62.082 62.100 -0.059 0.000 1.008 503 T CB 1.345 70.171 68.868 -0.071 0.000 1.129 503 T HN 0.716 nan 8.240 nan 0.000 0.480 504 D N 1.401 121.778 120.400 -0.039 0.000 2.340 504 D HA 0.259 4.893 4.640 -0.010 0.000 0.217 504 D C 1.478 177.730 176.300 -0.079 0.000 1.081 504 D CA 0.681 54.654 54.000 -0.046 0.000 0.842 504 D CB -0.229 40.556 40.800 -0.024 0.000 0.934 504 D HN 1.091 nan 8.370 nan 0.000 0.511 505 G N 0.412 109.158 108.800 -0.090 0.000 2.195 505 G HA2 -0.356 3.598 3.960 -0.010 0.000 0.246 505 G HA3 -0.356 3.598 3.960 -0.010 0.000 0.246 505 G C 0.728 175.536 174.900 -0.152 0.000 0.984 505 G CA 0.520 45.539 45.100 -0.135 0.000 0.633 505 G HN 0.510 nan 8.290 nan 0.000 0.525 506 E N -1.733 118.363 120.200 -0.174 0.000 2.905 506 E HA 0.403 4.747 4.350 -0.010 0.000 0.197 506 E C 0.010 176.433 176.600 -0.294 0.000 1.016 506 E CA -0.301 55.887 56.400 -0.352 0.000 1.307 506 E CB 0.580 29.918 29.700 -0.603 0.000 1.255 506 E HN 0.362 nan 8.360 nan 0.000 0.527 507 Y N -0.058 120.302 120.300 0.100 0.000 2.567 507 Y HA 0.780 5.324 4.550 -0.009 0.000 0.333 507 Y C -0.167 175.669 175.900 -0.108 0.000 1.106 507 Y CA -0.846 57.308 58.100 0.090 0.000 1.157 507 Y CB 2.103 40.632 38.460 0.115 0.000 1.277 507 Y HN 0.138 nan 8.280 nan 0.000 0.490 508 A N 0.404 123.241 122.820 0.029 0.000 2.594 508 A HA 0.873 5.187 4.320 -0.010 0.000 0.295 508 A C -1.764 175.893 177.584 0.121 0.000 1.071 508 A CA -0.521 51.447 52.037 -0.115 0.000 0.685 508 A CB 0.939 19.470 19.000 -0.782 0.000 1.285 508 A HN 0.997 nan 8.150 nan 0.000 0.405 509 A N 0.901 123.788 122.820 0.111 0.000 2.287 509 A HA 0.698 5.012 4.320 -0.010 0.000 0.317 509 A C -0.809 176.823 177.584 0.080 0.000 1.220 509 A CA -0.438 51.656 52.037 0.095 0.000 0.835 509 A CB 0.583 19.719 19.000 0.228 0.000 1.180 509 A HN 1.493 nan 8.150 nan 0.000 0.500 510 V N 1.568 121.525 119.914 0.072 0.000 2.709 510 V HA 0.856 4.970 4.120 -0.010 0.000 0.308 510 V C 0.450 176.771 176.094 0.377 0.000 1.062 510 V CA -0.158 62.314 62.300 0.287 0.000 0.901 510 V CB 2.090 34.170 31.823 0.427 0.000 1.003 510 V HN 1.237 nan 8.190 nan 0.000 0.425 511 G N 2.390 111.501 108.800 0.518 0.000 2.638 511 G HA2 0.657 4.611 3.960 -0.010 0.000 0.302 511 G HA3 0.657 4.611 3.960 -0.010 0.000 0.302 511 G C -1.593 173.778 174.900 0.786 0.000 1.365 511 G CA -0.481 44.928 45.100 0.514 0.000 0.987 511 G HN 0.616 nan 8.290 nan 0.000 0.495 512 Q N 0.537 120.803 119.800 0.776 0.000 2.290 512 Q HA 0.254 4.588 4.340 -0.010 0.000 0.269 512 Q C -1.101 175.168 176.000 0.448 0.000 1.016 512 Q CA -0.747 55.456 55.803 0.666 0.000 0.754 512 Q CB 1.323 30.439 28.738 0.630 0.000 1.247 512 Q HN 0.830 nan 8.270 nan 0.000 0.451 513 H N 5.231 124.470 119.070 0.282 0.000 3.004 513 H HA 0.207 4.757 4.556 -0.010 0.000 0.267 513 H C -1.098 174.259 175.328 0.048 0.000 1.165 513 H CA -0.606 55.404 56.048 -0.064 0.000 1.450 513 H CB 0.601 30.386 29.762 0.039 0.000 1.488 513 H HN 0.434 nan 8.280 nan 0.000 0.478 514 L N 5.968 127.265 121.223 0.122 0.000 2.275 514 L HA 0.312 4.646 4.340 -0.010 0.000 0.288 514 L C -0.951 175.923 176.870 0.007 0.000 1.046 514 L CA -0.258 54.635 54.840 0.089 0.000 0.805 514 L CB 0.984 43.129 42.059 0.143 0.000 1.193 514 L HN 0.568 nan 8.230 nan 0.000 0.426 515 K N 4.195 124.610 120.400 0.024 0.000 2.413 515 K HA 0.576 4.890 4.320 -0.010 0.000 0.257 515 K C -0.178 176.519 176.600 0.162 0.000 0.946 515 K CA -0.703 55.607 56.287 0.039 0.000 0.823 515 K CB 1.646 34.132 32.500 -0.023 0.000 1.109 515 K HN 0.855 nan 8.250 nan 0.000 0.427 516 G N 2.438 111.295 108.800 0.095 0.000 2.442 516 G HA2 0.163 4.117 3.960 -0.010 0.000 0.249 516 G HA3 0.163 4.117 3.960 -0.010 0.000 0.249 516 G C -0.323 174.555 174.900 -0.037 0.000 1.263 516 G CA -0.590 44.549 45.100 0.064 0.000 0.846 516 G HN 0.612 nan 8.290 nan 0.000 0.555 517 L N 2.153 123.231 121.223 -0.242 0.000 2.462 517 L HA 0.413 4.747 4.340 -0.010 0.000 0.272 517 L C 1.416 178.189 176.870 -0.162 0.000 1.166 517 L CA 1.182 55.803 54.840 -0.366 0.000 0.880 517 L CB 0.378 42.103 42.059 -0.557 0.000 1.142 517 L HN 1.080 nan 8.230 nan 0.000 0.473 518 G N 2.628 111.363 108.800 -0.108 0.000 2.203 518 G HA2 -0.305 3.649 3.960 -0.010 0.000 0.263 518 G HA3 -0.305 3.649 3.960 -0.010 0.000 0.263 518 G C 0.125 174.978 174.900 -0.078 0.000 1.012 518 G CA 0.513 45.553 45.100 -0.101 0.000 0.749 518 G HN 0.915 nan 8.290 nan 0.000 0.512 519 S N -2.057 113.616 115.700 -0.046 0.000 2.661 519 S HA 0.748 5.212 4.470 -0.010 0.000 0.285 519 S C 1.215 175.806 174.600 -0.015 0.000 1.138 519 S CA 0.869 59.050 58.200 -0.031 0.000 0.855 519 S CB 1.426 64.615 63.200 -0.019 0.000 1.136 519 S HN 1.050 nan 8.310 nan 0.000 0.484 520 T N 0.887 115.433 114.554 -0.014 0.000 3.122 520 T HA 0.255 4.599 4.350 -0.010 0.000 0.250 520 T C 0.572 175.269 174.700 -0.004 0.000 1.067 520 T CA -0.202 61.894 62.100 -0.008 0.000 0.966 520 T CB -0.435 68.427 68.868 -0.010 0.000 1.002 520 T HN 0.389 nan 8.240 nan 0.000 0.542 521 L N 2.433 123.654 121.223 -0.003 0.000 2.540 521 L HA 0.310 4.644 4.340 -0.010 0.000 0.276 521 L C 0.117 176.991 176.870 0.006 0.000 1.212 521 L CA 0.632 55.472 54.840 0.000 0.000 0.893 521 L CB 0.059 42.121 42.059 0.004 0.000 1.138 521 L HN 0.369 nan 8.230 nan 0.000 0.491 522 E N 3.729 123.927 120.200 -0.003 0.000 2.317 522 E HA 0.824 5.167 4.350 -0.010 0.000 0.270 522 E C -1.709 174.875 176.600 -0.028 0.000 0.885 522 E CA -0.693 55.709 56.400 0.004 0.000 0.760 522 E CB 1.778 31.491 29.700 0.022 0.000 1.227 522 E HN 0.854 nan 8.360 nan 0.000 0.434 523 A N 2.959 125.762 122.820 -0.029 0.000 2.608 523 A HA 0.645 4.959 4.320 -0.010 0.000 0.292 523 A C -1.663 175.794 177.584 -0.212 0.000 1.066 523 A CA -0.892 51.074 52.037 -0.118 0.000 0.676 523 A CB 1.592 20.552 19.000 -0.066 0.000 1.277 523 A HN 0.473 nan 8.150 nan 0.000 0.413 524 R N 1.249 121.504 120.500 -0.408 0.000 2.343 524 R HA 0.537 4.870 4.340 -0.010 0.000 0.320 524 R C -1.067 175.023 176.300 -0.349 0.000 0.956 524 R CA -0.274 55.423 56.100 -0.673 0.000 0.836 524 R CB 1.313 30.922 30.300 -1.152 0.000 1.151 524 R HN 0.693 nan 8.270 nan 0.000 0.450 525 K N 1.008 121.288 120.400 -0.200 0.000 2.270 525 K HA 0.531 4.845 4.320 -0.010 0.000 0.255 525 K C -0.519 175.850 176.600 -0.384 0.000 0.936 525 K CA -0.482 55.599 56.287 -0.343 0.000 0.809 525 K CB 2.328 34.633 32.500 -0.324 0.000 1.131 525 K HN 0.385 nan 8.250 nan 0.000 0.427 526 S N 1.161 116.481 115.700 -0.633 0.000 2.570 526 S HA 0.554 5.018 4.470 -0.010 0.000 0.286 526 S C -1.478 172.582 174.600 -0.900 0.000 1.099 526 S CA -0.882 56.979 58.200 -0.565 0.000 0.913 526 S CB 1.145 64.116 63.200 -0.381 0.000 1.085 526 S HN 0.432 nan 8.310 nan 0.000 0.480 527 W N 1.815 122.817 121.300 -0.497 0.000 2.839 527 W HA 0.483 5.137 4.660 -0.010 0.000 0.334 527 W C -1.919 174.075 176.519 -0.874 0.000 1.064 527 W CA -0.698 56.311 57.345 -0.560 0.000 1.236 527 W CB 1.240 30.462 29.460 -0.398 0.000 1.405 527 W HN 0.503 nan 8.180 nan 0.000 0.478 528 F N 2.490 122.395 119.950 -0.074 0.000 2.403 528 F HA 0.383 4.904 4.527 -0.011 0.000 0.355 528 F C -0.338 175.388 175.800 -0.125 0.000 1.119 528 F CA -0.840 57.140 58.000 -0.033 0.000 1.007 528 F CB 0.587 39.557 39.000 -0.049 0.000 1.194 528 F HN 0.006 nan 8.300 nan 0.000 0.443 529 F N 4.734 124.724 119.950 0.067 0.000 2.404 529 F HA 0.503 5.024 4.527 -0.010 0.000 0.358 529 F C 0.240 176.095 175.800 0.092 0.000 1.120 529 F CA -0.295 57.630 58.000 -0.125 0.000 1.144 529 F CB 0.450 39.045 39.000 -0.676 0.000 1.133 529 F HN 0.277 nan 8.300 nan 0.000 0.495 530 L N 2.143 123.615 121.223 0.414 0.000 2.535 530 L HA 0.371 4.705 4.340 -0.010 0.000 0.259 530 L C 1.285 178.490 176.870 0.558 0.000 1.263 530 L CA -0.842 54.182 54.840 0.306 0.000 1.282 530 L CB 0.634 42.801 42.059 0.181 0.000 1.901 530 L HN 0.425 nan 8.230 nan 0.000 0.572 531 D N -0.691 119.897 120.400 0.314 0.000 2.249 531 D HA -0.129 4.504 4.640 -0.010 0.000 0.205 531 D C 0.375 176.861 176.300 0.311 0.000 0.962 531 D CA 1.076 55.313 54.000 0.394 0.000 0.860 531 D CB 0.007 40.959 40.800 0.253 0.000 0.955 531 D HN 0.696 nan 8.370 nan 0.000 0.505 532 D N -0.294 120.293 120.400 0.311 0.000 2.651 532 D HA 0.427 5.061 4.640 -0.010 0.000 0.280 532 D C -0.179 176.312 176.300 0.318 0.000 1.496 532 D CA -0.564 53.645 54.000 0.348 0.000 0.792 532 D CB 0.278 41.157 40.800 0.131 0.000 1.144 532 D HN 0.281 nan 8.370 nan 0.000 0.470 533 A N -0.575 122.466 122.820 0.367 0.000 2.610 533 A HA 0.690 5.003 4.320 -0.010 0.000 0.291 533 A C -1.777 175.951 177.584 0.240 0.000 1.086 533 A CA -0.727 51.392 52.037 0.136 0.000 0.677 533 A CB 1.733 20.793 19.000 0.099 0.000 1.278 533 A HN 0.173 nan 8.150 nan 0.000 0.414 534 V N 0.982 120.932 119.914 0.061 0.000 2.443 534 V HA 0.477 4.591 4.120 -0.010 0.000 0.293 534 V C -0.404 175.699 176.094 0.015 0.000 1.021 534 V CA -0.626 61.663 62.300 -0.018 0.000 0.848 534 V CB 1.322 33.053 31.823 -0.153 0.000 0.998 534 V HN 0.701 nan 8.190 nan 0.000 0.424 535 V N 3.713 123.666 119.914 0.065 0.000 2.465 535 V HA 0.329 4.443 4.120 -0.010 0.000 0.279 535 V C 0.012 176.099 176.094 -0.011 0.000 1.045 535 V CA -0.205 62.141 62.300 0.076 0.000 0.938 535 V CB 1.358 33.254 31.823 0.121 0.000 0.986 535 V HN 1.009 nan 8.190 nan 0.000 0.467 536 C N 6.874 126.051 119.300 -0.205 0.000 2.322 536 C HA 0.692 5.145 4.460 -0.010 0.000 0.324 536 C C -0.329 174.546 174.990 -0.191 0.000 1.249 536 C CA -0.846 57.945 59.018 -0.378 0.000 1.453 536 C CB 0.313 27.574 27.740 -0.798 0.000 2.145 536 C HN 0.604 nan 8.230 nan 0.000 0.466 537 L N 3.067 124.143 121.223 -0.246 0.000 2.329 537 L HA 0.852 5.185 4.340 -0.010 0.000 0.279 537 L C 0.557 176.979 176.870 -0.747 0.000 1.014 537 L CA 0.246 54.882 54.840 -0.340 0.000 0.814 537 L CB 1.567 43.554 42.059 -0.119 0.000 1.257 537 L HN 0.868 nan 8.230 nan 0.000 0.424 538 G N 1.340 109.330 108.800 -1.349 0.000 2.617 538 G HA2 0.852 4.806 3.960 -0.010 0.000 0.306 538 G HA3 0.852 4.806 3.960 -0.010 0.000 0.306 538 G C -1.617 172.863 174.900 -0.701 0.000 1.360 538 G CA -0.125 44.159 45.100 -1.359 0.000 0.983 538 G HN 0.849 nan 8.290 nan 0.000 0.496 539 A N 0.346 122.898 122.820 -0.446 0.000 2.602 539 A HA 0.893 5.207 4.320 -0.010 0.000 0.290 539 A C 0.710 178.118 177.584 -0.293 0.000 1.114 539 A CA 0.158 52.007 52.037 -0.314 0.000 0.683 539 A CB 0.983 19.840 19.000 -0.237 0.000 1.281 539 A HN 2.572 nan 8.150 nan 0.000 0.416 540 G N -0.414 108.249 108.800 -0.229 0.000 2.221 540 G HA2 -0.179 3.775 3.960 -0.010 0.000 0.265 540 G HA3 -0.179 3.775 3.960 -0.010 0.000 0.265 540 G C -0.004 174.787 174.900 -0.181 0.000 1.041 540 G CA 0.500 45.476 45.100 -0.207 0.000 0.807 540 G HN 0.977 nan 8.290 nan 0.000 0.502 541 I N 1.559 122.018 120.570 -0.185 0.000 2.363 541 I HA 0.327 4.491 4.170 -0.010 0.000 0.292 541 I C 0.347 176.395 176.117 -0.115 0.000 1.075 541 I CA 0.406 61.602 61.300 -0.174 0.000 1.333 541 I CB 0.850 38.676 38.000 -0.291 0.000 1.415 541 I HN 0.058 nan 8.210 nan 0.000 0.502 542 T N 5.158 119.665 114.554 -0.078 0.000 2.921 542 T HA 0.418 4.762 4.350 -0.010 0.000 0.297 542 T C -1.159 173.523 174.700 -0.029 0.000 1.013 542 T CA -0.448 61.623 62.100 -0.048 0.000 0.990 542 T CB 1.789 70.628 68.868 -0.048 0.000 1.023 542 T HN 0.630 nan 8.240 nan 0.000 0.447 543 C N 1.980 121.269 119.300 -0.018 0.000 3.086 543 C HA 0.823 5.277 4.460 -0.010 0.000 0.311 543 C C 0.132 175.116 174.990 -0.010 0.000 1.260 543 C CA -0.267 58.744 59.018 -0.012 0.000 1.426 543 C CB 0.854 28.590 27.740 -0.006 0.000 1.826 543 C HN 1.049 nan 8.230 nan 0.000 0.474 544 A N 2.177 124.990 122.820 -0.011 0.000 2.610 544 A HA 0.304 4.618 4.320 -0.010 0.000 0.291 544 A C 0.657 178.232 177.584 -0.016 0.000 1.116 544 A CA 0.137 52.167 52.037 -0.012 0.000 0.963 544 A CB -0.188 18.805 19.000 -0.011 0.000 1.220 544 A HN 0.840 nan 8.150 nan 0.000 0.530 545 D N 0.168 120.557 120.400 -0.018 0.000 2.317 545 D HA 0.141 4.774 4.640 -0.010 0.000 0.211 545 D C 1.620 177.903 176.300 -0.028 0.000 0.966 545 D CA 1.623 55.607 54.000 -0.026 0.000 0.876 545 D CB 0.150 40.931 40.800 -0.032 0.000 0.927 545 D HN 0.725 nan 8.370 nan 0.000 0.519 546 G N 0.123 108.909 108.800 -0.023 0.000 2.143 546 G HA2 -0.224 3.730 3.960 -0.010 0.000 0.249 546 G HA3 -0.224 3.730 3.960 -0.010 0.000 0.249 546 G C 0.411 175.294 174.900 -0.028 0.000 0.981 546 G CA 0.654 45.740 45.100 -0.023 0.000 0.665 546 G HN 0.487 nan 8.290 nan 0.000 0.528 547 V N -4.176 115.719 119.914 -0.031 0.000 3.141 547 V HA 0.944 5.058 4.120 -0.010 0.000 0.312 547 V C -2.510 173.568 176.094 -0.026 0.000 1.157 547 V CA -2.894 59.382 62.300 -0.039 0.000 1.041 547 V CB 1.868 33.654 31.823 -0.062 0.000 1.071 547 V HN 0.006 nan 8.190 nan 0.000 0.441 548 P HA 0.343 nan 4.420 nan 0.000 0.269 548 P C -0.877 176.423 177.300 0.001 0.000 1.215 548 P CA -0.007 63.090 63.100 -0.005 0.000 0.780 548 P CB 0.687 32.380 31.700 -0.011 0.000 0.898 549 V N 2.245 122.188 119.914 0.049 0.000 2.555 549 V HA 0.379 4.493 4.120 -0.010 0.000 0.302 549 V C 0.093 176.268 176.094 0.135 0.000 1.038 549 V CA -0.393 61.960 62.300 0.089 0.000 0.887 549 V CB 1.654 33.554 31.823 0.128 0.000 0.991 549 V HN 0.518 nan 8.190 nan 0.000 0.434 550 E N 1.351 121.615 120.200 0.107 0.000 2.312 550 E HA 0.623 4.967 4.350 -0.010 0.000 0.267 550 E C -1.232 175.445 176.600 0.129 0.000 0.894 550 E CA -0.772 55.669 56.400 0.069 0.000 0.773 550 E CB 2.516 32.193 29.700 -0.038 0.000 1.241 550 E HN 0.597 nan 8.360 nan 0.000 0.432 551 T N 1.037 115.631 114.554 0.066 0.000 2.792 551 T HA 0.269 4.612 4.350 -0.010 0.000 0.280 551 T C -0.540 174.131 174.700 -0.049 0.000 0.990 551 T CA -0.595 61.528 62.100 0.039 0.000 0.960 551 T CB 1.053 69.912 68.868 -0.015 0.000 0.939 551 T HN 0.119 nan 8.240 nan 0.000 0.439 552 V N 5.291 125.187 119.914 -0.029 0.000 2.322 552 V HA 0.083 4.197 4.120 -0.010 0.000 0.258 552 V C 1.600 177.610 176.094 -0.141 0.000 1.074 552 V CA -0.135 62.142 62.300 -0.039 0.000 0.909 552 V CB 0.380 32.203 31.823 0.000 0.000 1.090 552 V HN 0.849 nan 8.190 nan 0.000 0.486 553 V N 2.724 122.420 119.914 -0.363 0.000 2.287 553 V HA -0.119 3.995 4.120 -0.010 0.000 0.248 553 V C 0.875 176.718 176.094 -0.418 0.000 1.053 553 V CA 1.949 63.805 62.300 -0.739 0.000 1.027 553 V CB -0.243 31.053 31.823 -0.878 0.000 0.646 553 V HN 0.957 nan 8.190 nan 0.000 0.447 554 D N -2.262 117.923 120.400 -0.358 0.000 2.671 554 D HA 0.315 4.949 4.640 -0.010 0.000 0.273 554 D C -1.669 174.581 176.300 -0.082 0.000 1.264 554 D CA -0.485 53.451 54.000 -0.108 0.000 0.788 554 D CB 1.897 42.713 40.800 0.025 0.000 1.324 554 D HN 0.108 nan 8.370 nan 0.000 0.424 555 N N 1.044 119.772 118.700 0.047 0.000 2.599 555 N HA 0.241 4.975 4.740 -0.010 0.000 0.283 555 N C -1.693 173.930 175.510 0.187 0.000 1.160 555 N CA -0.401 52.695 53.050 0.077 0.000 0.869 555 N CB 1.081 39.574 38.487 0.009 0.000 1.448 555 N HN 0.155 nan 8.380 nan 0.000 0.535 556 R N 1.934 122.505 120.500 0.118 0.000 2.437 556 R HA 0.349 4.683 4.340 -0.010 0.000 0.310 556 R C -0.392 175.719 176.300 -0.315 0.000 0.955 556 R CA -0.833 55.229 56.100 -0.065 0.000 0.851 556 R CB 0.775 30.985 30.300 -0.151 0.000 1.161 556 R HN 0.545 nan 8.270 nan 0.000 0.446 557 N N 3.312 121.607 118.700 -0.675 0.000 2.431 557 N HA 0.035 4.769 4.740 -0.010 0.000 0.265 557 N C 0.534 175.713 175.510 -0.552 0.000 1.184 557 N CA 0.047 52.390 53.050 -1.178 0.000 0.943 557 N CB 0.616 38.447 38.487 -1.093 0.000 1.080 557 N HN 0.594 nan 8.380 nan 0.000 0.477 558 L N 2.449 123.360 121.223 -0.520 0.000 2.592 558 L HA 0.334 4.668 4.340 -0.010 0.000 0.227 558 L C 1.318 178.073 176.870 -0.191 0.000 1.127 558 L CA 0.112 54.797 54.840 -0.257 0.000 0.884 558 L CB -1.059 40.870 42.059 -0.216 0.000 1.065 558 L HN 0.803 nan 8.230 nan 0.000 0.457 559 G N 1.148 109.785 108.800 -0.272 0.000 2.757 559 G HA2 -0.256 3.697 3.960 -0.010 0.000 0.638 559 G HA3 -0.256 3.697 3.960 -0.010 0.000 0.638 559 G C -0.426 174.377 174.900 -0.162 0.000 1.344 559 G CA -0.625 44.368 45.100 -0.177 0.000 0.855 559 G HN 0.250 nan 8.290 nan 0.000 0.537 560 E N 0.569 120.699 120.200 -0.118 0.000 2.417 560 E HA 0.409 4.753 4.350 -0.010 0.000 0.261 560 E C 1.454 178.008 176.600 -0.076 0.000 1.000 560 E CA 0.990 57.329 56.400 -0.101 0.000 0.919 560 E CB -0.256 29.386 29.700 -0.096 0.000 0.955 560 E HN 2.365 nan 8.360 nan 0.000 0.455 561 G N 3.377 112.137 108.800 -0.067 0.000 2.225 561 G HA2 -0.279 3.675 3.960 -0.010 0.000 0.267 561 G HA3 -0.279 3.675 3.960 -0.010 0.000 0.267 561 G C 0.480 175.354 174.900 -0.044 0.000 1.024 561 G CA 0.018 45.090 45.100 -0.048 0.000 0.784 561 G HN 0.834 nan 8.290 nan 0.000 0.507 562 G N -0.550 108.214 108.800 -0.060 0.000 2.353 562 G HA2 0.505 4.459 3.960 -0.010 0.000 0.239 562 G HA3 0.505 4.459 3.960 -0.010 0.000 0.239 562 G C 0.957 175.839 174.900 -0.029 0.000 1.295 562 G CA 0.929 46.000 45.100 -0.049 0.000 0.884 562 G HN 1.390 nan 8.290 nan 0.000 0.537 563 T N -0.762 113.786 114.554 -0.009 0.000 3.252 563 T HA 0.253 4.597 4.350 -0.010 0.000 0.286 563 T C 0.438 175.150 174.700 0.019 0.000 1.013 563 T CA -0.433 61.669 62.100 0.003 0.000 0.914 563 T CB 0.143 69.015 68.868 0.007 0.000 1.131 563 T HN 0.431 nan 8.240 nan 0.000 0.529 564 Q N 2.078 121.891 119.800 0.022 0.000 2.286 564 Q HA 0.523 4.857 4.340 -0.010 0.000 0.290 564 Q C 0.273 176.303 176.000 0.050 0.000 1.049 564 Q CA 0.203 56.036 55.803 0.050 0.000 0.923 564 Q CB 0.316 29.085 28.738 0.052 0.000 1.183 564 Q HN 0.625 nan 8.270 nan 0.000 0.383 565 A N 2.781 125.650 122.820 0.083 0.000 2.409 565 A HA 0.393 4.706 4.320 -0.010 0.000 0.262 565 A C -0.796 176.858 177.584 0.118 0.000 1.113 565 A CA -0.495 51.598 52.037 0.092 0.000 0.790 565 A CB 0.198 19.264 19.000 0.110 0.000 1.046 565 A HN 0.635 nan 8.150 nan 0.000 0.496 566 L N 4.238 125.518 121.223 0.096 0.000 2.264 566 L HA 0.586 4.920 4.340 -0.010 0.000 0.289 566 L C -0.656 176.292 176.870 0.130 0.000 1.044 566 L CA 0.040 54.953 54.840 0.121 0.000 0.807 566 L CB 1.368 43.465 42.059 0.063 0.000 1.192 566 L HN 0.402 nan 8.230 nan 0.000 0.425 567 V N 6.001 126.045 119.914 0.216 0.000 2.495 567 V HA 0.608 4.722 4.120 -0.010 0.000 0.298 567 V C 0.013 176.154 176.094 0.079 0.000 1.031 567 V CA -0.703 61.707 62.300 0.184 0.000 0.871 567 V CB 1.759 33.771 31.823 0.315 0.000 0.988 567 V HN 0.708 nan 8.190 nan 0.000 0.432 568 R N 1.958 122.351 120.500 -0.178 0.000 2.637 568 R HA 0.784 5.118 4.340 -0.010 0.000 0.291 568 R C 0.069 175.850 176.300 -0.865 0.000 0.963 568 R CA -0.451 55.368 56.100 -0.468 0.000 0.901 568 R CB 2.376 32.511 30.300 -0.276 0.000 1.160 568 R HN 0.910 nan 8.270 nan 0.000 0.457 569 G N 0.053 107.985 108.800 -1.447 0.000 3.140 569 G HA2 0.178 4.132 3.960 -0.010 0.000 0.271 569 G HA3 0.178 4.132 3.960 -0.010 0.000 0.271 569 G C 0.075 174.571 174.900 -0.674 0.000 1.370 569 G CA -0.568 43.771 45.100 -1.267 0.000 1.014 569 G HN 0.569 nan 8.290 nan 0.000 0.541 570 R N -1.203 119.099 120.500 -0.330 0.000 2.091 570 R HA -0.124 4.210 4.340 -0.010 0.000 0.238 570 R C 0.884 177.161 176.300 -0.038 0.000 1.136 570 R CA 2.033 58.077 56.100 -0.093 0.000 0.959 570 R CB -0.217 30.117 30.300 0.057 0.000 0.856 570 R HN 0.637 nan 8.270 nan 0.000 0.437 571 H N -1.210 117.829 119.070 -0.052 0.000 2.885 571 H HA 0.167 4.717 4.556 -0.010 0.000 0.237 571 H C -1.455 174.036 175.328 0.272 0.000 1.229 571 H CA -0.578 55.533 56.048 0.106 0.000 0.947 571 H CB 0.256 30.122 29.762 0.173 0.000 2.223 571 H HN 0.284 nan 8.280 nan 0.000 0.628 572 W N -0.308 121.093 121.300 0.170 0.000 3.059 572 W HA 0.738 5.392 4.660 -0.010 0.000 0.329 572 W C -2.140 174.483 176.519 0.173 0.000 1.246 572 W CA -1.026 56.435 57.345 0.193 0.000 1.190 572 W CB 0.541 30.114 29.460 0.188 0.000 1.423 572 W HN 0.079 nan 8.180 nan 0.000 0.571 573 A N 1.766 124.930 122.820 0.575 0.000 2.515 573 A HA 0.679 4.993 4.320 -0.010 0.000 0.298 573 A C -2.048 176.016 177.584 0.800 0.000 1.059 573 A CA -0.549 51.792 52.037 0.508 0.000 0.698 573 A CB 2.213 21.397 19.000 0.308 0.000 1.289 573 A HN 0.852 nan 8.150 nan 0.000 0.404 574 H N 1.772 121.192 119.070 0.584 0.000 2.759 574 H HA 0.574 5.124 4.556 -0.010 0.000 0.354 574 H C -2.218 173.319 175.328 0.347 0.000 1.074 574 H CA -0.514 55.775 56.048 0.402 0.000 1.226 574 H CB 1.756 31.723 29.762 0.342 0.000 1.648 574 H HN 0.586 nan 8.280 nan 0.000 0.529 575 L N 5.075 126.165 121.223 -0.222 0.000 2.294 575 L HA 0.249 4.582 4.340 -0.010 0.000 0.283 575 L C 0.264 177.058 176.870 -0.127 0.000 1.015 575 L CA -0.325 54.501 54.840 -0.023 0.000 0.831 575 L CB 1.113 43.259 42.059 0.146 0.000 1.217 575 L HN 0.691 nan 8.230 nan 0.000 0.420 576 E N 4.230 124.489 120.200 0.100 0.000 2.652 576 E HA 0.188 4.532 4.350 -0.010 0.000 0.255 576 E C 1.099 177.843 176.600 0.240 0.000 0.952 576 E CA 1.160 57.681 56.400 0.202 0.000 0.947 576 E CB 0.239 30.051 29.700 0.187 0.000 0.912 576 E HN 0.988 nan 8.360 nan 0.000 0.489 577 G N 3.998 112.927 108.800 0.215 0.000 2.205 577 G HA2 -0.328 3.626 3.960 -0.010 0.000 0.261 577 G HA3 -0.328 3.626 3.960 -0.010 0.000 0.261 577 G C 0.471 175.429 174.900 0.096 0.000 0.980 577 G CA 0.786 45.986 45.100 0.167 0.000 0.632 577 G HN 0.756 nan 8.290 nan 0.000 0.533 578 H N -0.731 118.381 119.070 0.070 0.000 2.249 578 H HA 0.538 5.088 4.556 -0.010 0.000 0.261 578 H C 1.544 176.953 175.328 0.134 0.000 0.976 578 H CA 1.809 57.966 56.048 0.181 0.000 1.322 578 H CB 0.657 30.528 29.762 0.182 0.000 1.418 578 H HN 1.237 nan 8.280 nan 0.000 0.561 579 G N -1.586 107.172 108.800 -0.070 0.000 2.350 579 G HA2 0.419 4.373 3.960 -0.010 0.000 0.276 579 G HA3 0.419 4.373 3.960 -0.010 0.000 0.276 579 G C -0.799 173.636 174.900 -0.775 0.000 1.313 579 G CA -0.218 44.660 45.100 -0.370 0.000 0.903 579 G HN 0.691 nan 8.290 nan 0.000 0.490 580 G N -1.904 106.395 108.800 -0.835 0.000 2.687 580 G HA2 0.652 4.605 3.960 -0.010 0.000 0.291 580 G HA3 0.652 4.605 3.960 -0.010 0.000 0.291 580 G C -1.812 172.549 174.900 -0.898 0.000 1.420 580 G CA -0.526 44.064 45.100 -0.850 0.000 0.796 580 G HN 0.778 nan 8.290 nan 0.000 0.485 581 W N 0.166 121.589 121.300 0.206 0.000 2.883 581 W HA 0.508 5.162 4.660 -0.010 0.000 0.335 581 W C -0.928 175.766 176.519 0.292 0.000 1.083 581 W CA -0.772 56.706 57.345 0.222 0.000 1.233 581 W CB 2.055 31.611 29.460 0.161 0.000 1.412 581 W HN 0.248 nan 8.180 nan 0.000 0.490 582 I N 3.398 124.266 120.570 0.496 0.000 2.304 582 I HA 0.479 4.643 4.170 -0.010 0.000 0.291 582 I C -0.143 176.277 176.117 0.506 0.000 1.018 582 I CA -0.692 60.912 61.300 0.507 0.000 1.260 582 I CB 1.324 39.585 38.000 0.436 0.000 1.390 582 I HN 0.006 nan 8.210 nan 0.000 0.475 583 V N 8.160 128.314 119.914 0.400 0.000 3.036 583 V HA 0.388 4.501 4.120 -0.010 0.000 0.288 583 V C -2.659 173.231 176.094 -0.341 0.000 1.407 583 V CA -1.645 60.736 62.300 0.135 0.000 0.983 583 V CB 3.033 34.922 31.823 0.111 0.000 1.128 583 V HN 0.437 nan 8.190 nan 0.000 0.439 584 P HA 0.204 nan 4.420 nan 0.000 0.262 584 P C 0.776 177.853 177.300 -0.371 0.000 1.199 584 P CA 0.687 63.349 63.100 -0.729 0.000 0.763 584 P CB 0.897 32.390 31.700 -0.345 0.000 0.790 585 G N 3.316 111.923 108.800 -0.321 0.000 2.448 585 G HA2 -0.141 3.813 3.960 -0.010 0.000 0.218 585 G HA3 -0.141 3.813 3.960 -0.010 0.000 0.218 585 G C 1.530 176.305 174.900 -0.209 0.000 1.135 585 G CA 0.663 45.619 45.100 -0.239 0.000 0.784 585 G HN 0.589 nan 8.290 nan 0.000 0.543 586 G N 0.351 109.045 108.800 -0.177 0.000 2.623 586 G HA2 0.260 4.214 3.960 -0.010 0.000 0.214 586 G HA3 0.260 4.214 3.960 -0.010 0.000 0.214 586 G C 1.735 176.534 174.900 -0.168 0.000 1.138 586 G CA 1.174 46.183 45.100 -0.152 0.000 0.794 586 G HN 0.529 nan 8.290 nan 0.000 0.535 587 A N -0.043 122.668 122.820 -0.181 0.000 1.975 587 A HA 0.402 4.716 4.320 -0.010 0.000 0.215 587 A C 1.141 178.559 177.584 -0.277 0.000 1.170 587 A CA -0.021 51.902 52.037 -0.190 0.000 0.656 587 A CB -0.209 18.703 19.000 -0.147 0.000 0.821 587 A HN 0.358 nan 8.150 nan 0.000 0.449 588 L N 1.824 122.870 121.223 -0.296 0.000 2.499 588 L HA 0.187 4.521 4.340 -0.010 0.000 0.273 588 L C -0.054 176.514 176.870 -0.502 0.000 1.195 588 L CA 0.205 54.815 54.840 -0.383 0.000 0.882 588 L CB 0.182 42.051 42.059 -0.317 0.000 1.133 588 L HN 0.234 nan 8.230 nan 0.000 0.483 589 R N 3.169 123.195 120.500 -0.790 0.000 2.532 589 R HA 0.635 4.968 4.340 -0.010 0.000 0.295 589 R C -0.452 175.184 176.300 -1.106 0.000 0.968 589 R CA -0.403 55.045 56.100 -1.086 0.000 0.916 589 R CB 1.468 30.684 30.300 -1.807 0.000 1.124 589 R HN 0.790 nan 8.270 nan 0.000 0.463 590 T N -0.951 113.159 114.554 -0.741 0.000 2.900 590 T HA 0.663 5.007 4.350 -0.010 0.000 0.295 590 T C -0.859 173.777 174.700 -0.106 0.000 1.044 590 T CA -0.887 60.992 62.100 -0.369 0.000 0.995 590 T CB 1.584 70.305 68.868 -0.244 0.000 1.072 590 T HN 0.333 nan 8.240 nan 0.000 0.473 591 L N 1.207 122.494 121.223 0.107 0.000 2.464 591 L HA 0.747 5.081 4.340 -0.010 0.000 0.266 591 L C -0.828 176.085 176.870 0.073 0.000 0.965 591 L CA -0.729 54.195 54.840 0.139 0.000 0.833 591 L CB 2.226 44.444 42.059 0.265 0.000 1.296 591 L HN 0.966 nan 8.230 nan 0.000 0.405 592 R N 3.715 124.238 120.500 0.038 0.000 2.393 592 R HA 0.718 5.052 4.340 -0.010 0.000 0.315 592 R C -1.375 174.945 176.300 0.033 0.000 0.952 592 R CA -0.259 55.860 56.100 0.032 0.000 0.842 592 R CB 1.202 31.507 30.300 0.008 0.000 1.163 592 R HN 0.863 nan 8.270 nan 0.000 0.450 593 E N 2.483 122.716 120.200 0.054 0.000 2.392 593 E HA 0.268 4.612 4.350 -0.010 0.000 0.279 593 E C -1.532 175.117 176.600 0.081 0.000 0.964 593 E CA -1.116 55.309 56.400 0.042 0.000 0.777 593 E CB 1.552 31.260 29.700 0.012 0.000 1.249 593 E HN 0.323 nan 8.360 nan 0.000 0.449 594 D N 1.556 121.987 120.400 0.051 0.000 2.264 594 D HA 0.294 4.928 4.640 -0.010 0.000 0.250 594 D C -0.538 175.800 176.300 0.062 0.000 1.113 594 D CA -0.132 53.907 54.000 0.065 0.000 0.871 594 D CB 1.021 41.834 40.800 0.022 0.000 1.167 594 D HN 0.275 nan 8.370 nan 0.000 0.447 595 R N 1.055 121.623 120.500 0.112 0.000 2.561 595 R HA 0.457 4.791 4.340 -0.010 0.000 0.297 595 R C -0.639 175.703 176.300 0.070 0.000 0.969 595 R CA -0.682 55.450 56.100 0.054 0.000 0.879 595 R CB 2.086 32.370 30.300 -0.027 0.000 1.178 595 R HN 0.240 nan 8.270 nan 0.000 0.445 596 T N 0.959 115.534 114.554 0.035 0.000 2.823 596 T HA 0.723 5.067 4.350 -0.010 0.000 0.279 596 T C -0.197 174.537 174.700 0.056 0.000 0.998 596 T CA -0.683 61.442 62.100 0.041 0.000 0.994 596 T CB 1.955 70.835 68.868 0.020 0.000 0.960 596 T HN 0.787 nan 8.240 nan 0.000 0.448 597 G N 0.500 109.356 108.800 0.093 0.000 2.608 597 G HA2 0.738 4.691 3.960 -0.010 0.000 0.291 597 G HA3 0.738 4.691 3.960 -0.010 0.000 0.291 597 G C -1.899 173.119 174.900 0.196 0.000 1.425 597 G CA -0.570 44.596 45.100 0.111 0.000 0.787 597 G HN 0.921 nan 8.290 nan 0.000 0.484 598 A N -1.112 121.807 122.820 0.165 0.000 2.413 598 A HA 0.658 4.972 4.320 -0.010 0.000 0.307 598 A C 0.141 177.779 177.584 0.091 0.000 1.087 598 A CA -0.753 51.428 52.037 0.241 0.000 0.750 598 A CB 0.889 20.031 19.000 0.237 0.000 1.296 598 A HN 0.813 nan 8.150 nan 0.000 0.423 599 W N 0.906 122.274 121.300 0.114 0.000 2.364 599 W HA -0.182 4.471 4.660 -0.010 0.000 0.281 599 W C 2.428 178.979 176.519 0.052 0.000 1.219 599 W CA 1.880 59.239 57.345 0.024 0.000 1.220 599 W CB -0.072 29.345 29.460 -0.072 0.000 1.127 599 W HN 0.810 nan 8.180 nan 0.000 0.556 600 S N -0.640 115.224 115.700 0.273 0.000 2.474 600 S HA -0.175 4.289 4.470 -0.010 0.000 0.235 600 S C 1.246 175.913 174.600 0.111 0.000 0.997 600 S CA 1.364 59.664 58.200 0.166 0.000 0.949 600 S CB -0.467 62.817 63.200 0.139 0.000 0.766 600 S HN 0.200 nan 8.310 nan 0.000 0.517 601 D N 2.388 122.853 120.400 0.108 0.000 2.218 601 D HA -0.025 4.609 4.640 -0.010 0.000 0.204 601 D C 1.605 177.919 176.300 0.023 0.000 0.976 601 D CA 1.317 55.356 54.000 0.065 0.000 0.853 601 D CB -0.205 40.640 40.800 0.075 0.000 0.939 601 D HN 0.799 nan 8.370 nan 0.000 0.481 602 I N -4.082 116.517 120.570 0.050 0.000 4.050 602 I HA 0.319 4.482 4.170 -0.010 0.000 0.327 602 I C -0.159 175.957 176.117 -0.001 0.000 1.473 602 I CA -0.450 60.834 61.300 -0.027 0.000 1.124 602 I CB 0.502 38.523 38.000 0.035 0.000 1.129 602 I HN -0.292 nan 8.210 nan 0.000 0.428 603 N N 1.569 120.297 118.700 0.047 0.000 2.648 603 N HA 0.067 4.801 4.740 -0.010 0.000 0.272 603 N C 0.630 176.162 175.510 0.036 0.000 1.118 603 N CA 0.426 53.498 53.050 0.035 0.000 0.973 603 N CB 1.916 40.448 38.487 0.074 0.000 1.565 603 N HN 0.205 nan 8.380 nan 0.000 0.542 604 T N -1.422 113.136 114.554 0.008 0.000 3.051 604 T HA -0.111 4.233 4.350 -0.010 0.000 0.269 604 T C 1.367 176.078 174.700 0.017 0.000 1.127 604 T CA 1.783 63.892 62.100 0.013 0.000 1.107 604 T CB -0.374 68.495 68.868 0.002 0.000 0.898 604 T HN 0.523 nan 8.240 nan 0.000 0.517 605 T N -1.691 112.871 114.554 0.013 0.000 3.069 605 T HA 0.379 4.723 4.350 -0.010 0.000 0.252 605 T C 0.598 175.310 174.700 0.020 0.000 1.053 605 T CA -0.566 61.537 62.100 0.006 0.000 0.964 605 T CB 0.042 68.901 68.868 -0.015 0.000 1.005 605 T HN 0.245 nan 8.240 nan 0.000 0.532 606 S N 2.262 117.994 115.700 0.053 0.000 2.690 606 S HA 0.604 5.068 4.470 -0.010 0.000 0.291 606 S C 0.415 175.099 174.600 0.139 0.000 1.138 606 S CA -0.747 57.505 58.200 0.088 0.000 1.013 606 S CB 1.548 64.832 63.200 0.141 0.000 1.053 606 S HN 0.687 nan 8.310 nan 0.000 0.539 607 T N -1.008 113.659 114.554 0.189 0.000 2.860 607 T HA 0.239 4.583 4.350 -0.010 0.000 0.299 607 T C 1.135 175.993 174.700 0.264 0.000 1.045 607 T CA -0.002 62.227 62.100 0.216 0.000 1.071 607 T CB 0.560 69.585 68.868 0.261 0.000 0.985 607 T HN 0.681 nan 8.240 nan 0.000 0.537 608 T N -2.311 112.369 114.554 0.210 0.000 3.069 608 T HA 0.184 4.528 4.350 -0.010 0.000 0.252 608 T C 0.435 175.263 174.700 0.213 0.000 1.053 608 T CA -0.392 61.821 62.100 0.188 0.000 0.964 608 T CB -0.533 68.406 68.868 0.119 0.000 1.005 608 T HN 0.902 nan 8.240 nan 0.000 0.532 609 E N 1.669 122.033 120.200 0.272 0.000 2.384 609 E HA 0.249 4.593 4.350 -0.010 0.000 0.266 609 E C -0.486 176.305 176.600 0.319 0.000 1.012 609 E CA -0.673 55.879 56.400 0.254 0.000 0.901 609 E CB 0.580 30.425 29.700 0.241 0.000 0.967 609 E HN 0.318 nan 8.360 nan 0.000 0.435 610 R N 2.962 123.560 120.500 0.163 0.000 2.346 610 R HA 0.471 4.804 4.340 -0.010 0.000 0.311 610 R C -0.054 176.225 176.300 -0.036 0.000 0.983 610 R CA -0.700 55.472 56.100 0.119 0.000 0.880 610 R CB 1.444 31.792 30.300 0.080 0.000 1.100 610 R HN 0.525 nan 8.270 nan 0.000 0.453 611 R N 0.751 121.178 120.500 -0.122 0.000 2.837 611 R HA 0.439 4.773 4.340 -0.010 0.000 0.271 611 R C -0.783 175.433 176.300 -0.140 0.000 0.993 611 R CA -0.872 55.041 56.100 -0.312 0.000 0.931 611 R CB 2.582 32.332 30.300 -0.917 0.000 1.206 611 R HN 0.432 nan 8.270 nan 0.000 0.474 612 T N 2.154 116.623 114.554 -0.141 0.000 2.797 612 T HA 0.479 4.823 4.350 -0.010 0.000 0.279 612 T C -0.433 174.228 174.700 -0.064 0.000 0.991 612 T CA -0.787 61.279 62.100 -0.057 0.000 0.979 612 T CB 1.045 69.884 68.868 -0.049 0.000 0.943 612 T HN 0.128 nan 8.240 nan 0.000 0.444 613 R N 1.844 122.343 120.500 -0.002 0.000 2.750 613 R HA 0.501 4.834 4.340 -0.010 0.000 0.281 613 R C -0.414 175.850 176.300 -0.060 0.000 0.972 613 R CA -0.927 55.122 56.100 -0.086 0.000 0.912 613 R CB 2.395 32.608 30.300 -0.145 0.000 1.187 613 R HN 0.549 nan 8.270 nan 0.000 0.464 614 R N 1.204 121.594 120.500 -0.182 0.000 2.428 614 R HA 0.385 4.719 4.340 -0.010 0.000 0.294 614 R C -0.988 175.125 176.300 -0.310 0.000 1.000 614 R CA -0.225 55.806 56.100 -0.115 0.000 0.960 614 R CB 0.893 31.137 30.300 -0.093 0.000 1.076 614 R HN 0.470 nan 8.270 nan 0.000 0.475 615 W N 2.016 123.233 121.300 -0.138 0.000 2.736 615 W HA 0.282 4.936 4.660 -0.010 0.000 0.335 615 W C -0.608 175.826 176.519 -0.142 0.000 1.059 615 W CA -0.567 56.674 57.345 -0.173 0.000 1.226 615 W CB 1.915 31.248 29.460 -0.211 0.000 1.416 615 W HN 0.349 nan 8.180 nan 0.000 0.505 616 Q N 2.081 121.918 119.800 0.061 0.000 2.368 616 Q HA 0.505 4.839 4.340 -0.010 0.000 0.263 616 Q C -0.805 175.204 176.000 0.016 0.000 1.009 616 Q CA -0.043 55.766 55.803 0.010 0.000 0.818 616 Q CB 1.185 29.880 28.738 -0.072 0.000 1.239 616 Q HN 0.367 nan 8.270 nan 0.000 0.464 617 T N 4.578 119.154 114.554 0.037 0.000 2.797 617 T HA 0.707 5.050 4.350 -0.010 0.000 0.279 617 T C -0.938 173.817 174.700 0.091 0.000 0.991 617 T CA -0.496 61.636 62.100 0.053 0.000 0.979 617 T CB 0.605 69.500 68.868 0.046 0.000 0.943 617 T HN 0.445 nan 8.240 nan 0.000 0.444 618 L N 3.660 124.877 121.223 -0.011 0.000 2.409 618 L HA 0.804 5.138 4.340 -0.010 0.000 0.272 618 L C -0.877 175.982 176.870 -0.019 0.000 0.980 618 L CA -0.562 54.177 54.840 -0.169 0.000 0.826 618 L CB 1.475 43.207 42.059 -0.546 0.000 1.268 618 L HN 0.904 nan 8.230 nan 0.000 0.407 619 W N 2.676 123.786 121.300 -0.317 0.000 3.042 619 W HA 0.856 5.509 4.660 -0.011 0.000 0.342 619 W C -2.385 173.956 176.519 -0.297 0.000 1.240 619 W CA -1.117 56.045 57.345 -0.305 0.000 1.166 619 W CB 0.961 30.279 29.460 -0.237 0.000 1.469 619 W HN 0.215 nan 8.180 nan 0.000 0.579 620 L N 2.490 123.615 121.223 -0.163 0.000 2.346 620 L HA 0.357 4.691 4.340 -0.010 0.000 0.276 620 L C -0.616 176.100 176.870 -0.257 0.000 1.006 620 L CA -0.793 53.864 54.840 -0.306 0.000 0.817 620 L CB 1.543 43.413 42.059 -0.316 0.000 1.272 620 L HN 0.457 nan 8.230 nan 0.000 0.421 621 D N 1.287 121.537 120.400 -0.250 0.000 2.349 621 D HA 0.158 4.792 4.640 -0.010 0.000 0.232 621 D C 0.351 176.511 176.300 -0.233 0.000 1.071 621 D CA -0.294 53.627 54.000 -0.131 0.000 0.832 621 D CB 0.953 41.755 40.800 0.004 0.000 1.086 621 D HN 0.486 nan 8.370 nan 0.000 0.504 622 H N 2.843 121.948 119.070 0.058 0.000 2.533 622 H HA 0.252 4.802 4.556 -0.010 0.000 0.271 622 H C 1.361 176.703 175.328 0.024 0.000 1.000 622 H CA 0.601 56.674 56.048 0.043 0.000 1.149 622 H CB 0.239 30.034 29.762 0.054 0.000 1.375 622 H HN 0.706 nan 8.280 nan 0.000 0.582 623 G N 0.647 109.496 108.800 0.081 0.000 2.796 623 G HA2 -0.260 3.694 3.960 -0.010 0.000 0.226 623 G HA3 -0.260 3.694 3.960 -0.010 0.000 0.226 623 G C -0.276 174.653 174.900 0.048 0.000 1.381 623 G CA -0.238 44.892 45.100 0.050 0.000 0.867 623 G HN 0.284 nan 8.290 nan 0.000 0.552 624 T N 1.373 115.941 114.554 0.024 0.000 2.780 624 T HA 0.485 4.829 4.350 -0.010 0.000 0.294 624 T C 0.142 174.849 174.700 0.012 0.000 0.949 624 T CA 1.026 63.133 62.100 0.011 0.000 1.074 624 T CB 0.719 69.585 68.868 -0.002 0.000 0.910 624 T HN 0.898 nan 8.240 nan 0.000 0.501 625 D N 2.375 122.781 120.400 0.009 0.000 2.737 625 D HA -0.103 4.531 4.640 -0.010 0.000 0.238 625 D C -2.147 174.157 176.300 0.007 0.000 1.157 625 D CA 0.115 54.117 54.000 0.004 0.000 0.694 625 D CB -0.789 40.009 40.800 -0.003 0.000 1.021 625 D HN 0.394 nan 8.370 nan 0.000 0.420 626 P HA 0.301 nan 4.420 nan 0.000 0.268 626 P C -0.724 176.569 177.300 -0.011 0.000 1.208 626 P CA -0.173 62.934 63.100 0.012 0.000 0.777 626 P CB 1.022 32.735 31.700 0.022 0.000 0.875 627 A N 1.381 124.191 122.820 -0.017 0.000 2.410 627 A HA 0.591 4.905 4.320 -0.010 0.000 0.289 627 A C 0.769 178.329 177.584 -0.040 0.000 1.200 627 A CA -0.107 51.913 52.037 -0.028 0.000 0.751 627 A CB 0.056 19.045 19.000 -0.020 0.000 1.161 627 A HN 0.820 nan 8.150 nan 0.000 0.459 628 G N 1.072 109.834 108.800 -0.064 0.000 2.246 628 G HA2 0.175 4.128 3.960 -0.010 0.000 0.273 628 G HA3 0.175 4.128 3.960 -0.010 0.000 0.273 628 G C 0.574 175.424 174.900 -0.083 0.000 1.055 628 G CA 0.479 45.531 45.100 -0.080 0.000 0.851 628 G HN 2.092 nan 8.290 nan 0.000 0.500 629 A N -0.333 122.429 122.820 -0.097 0.000 2.313 629 A HA 0.701 5.015 4.320 -0.010 0.000 0.261 629 A C 0.430 177.921 177.584 -0.154 0.000 1.090 629 A CA 0.672 52.655 52.037 -0.090 0.000 0.807 629 A CB 0.570 19.525 19.000 -0.074 0.000 1.055 629 A HN 1.385 nan 8.150 nan 0.000 0.492 630 D N -2.404 117.946 120.400 -0.083 0.000 2.583 630 D HA 0.602 5.236 4.640 -0.010 0.000 0.248 630 D C -0.968 175.383 176.300 0.086 0.000 1.209 630 D CA -0.428 53.506 54.000 -0.110 0.000 0.848 630 D CB 0.710 41.438 40.800 -0.120 0.000 1.431 630 D HN 0.753 nan 8.370 nan 0.000 0.436 631 Y N -2.263 118.070 120.300 0.054 0.000 2.609 631 Y HA 0.757 5.301 4.550 -0.010 0.000 0.336 631 Y C -1.984 173.971 175.900 0.091 0.000 1.129 631 Y CA -1.408 56.776 58.100 0.140 0.000 1.040 631 Y CB 1.232 39.850 38.460 0.264 0.000 1.310 631 Y HN 0.337 nan 8.280 nan 0.000 0.460 632 V N 3.406 123.545 119.914 0.375 0.000 2.623 632 V HA 0.611 4.725 4.120 -0.010 0.000 0.304 632 V C -1.386 174.961 176.094 0.422 0.000 1.054 632 V CA -0.791 61.681 62.300 0.287 0.000 0.882 632 V CB 1.293 33.199 31.823 0.138 0.000 1.002 632 V HN 0.948 nan 8.190 nan 0.000 0.424 633 Y N 1.324 121.811 120.300 0.312 0.000 2.597 633 Y HA 0.866 5.410 4.550 -0.010 0.000 0.340 633 Y C -0.675 175.386 175.900 0.268 0.000 1.097 633 Y CA -0.976 57.285 58.100 0.268 0.000 1.037 633 Y CB 1.923 40.514 38.460 0.219 0.000 1.305 633 Y HN 0.387 nan 8.280 nan 0.000 0.463 634 T N 2.687 117.482 114.554 0.402 0.000 2.824 634 T HA 0.514 4.858 4.350 -0.010 0.000 0.282 634 T C -1.371 173.553 174.700 0.373 0.000 0.993 634 T CA -0.699 61.572 62.100 0.286 0.000 0.967 634 T CB 1.575 70.647 68.868 0.340 0.000 0.960 634 T HN 0.775 nan 8.240 nan 0.000 0.441 635 V N 5.249 125.300 119.914 0.228 0.000 2.472 635 V HA 0.623 4.737 4.120 -0.010 0.000 0.290 635 V C -0.674 175.226 176.094 -0.323 0.000 1.037 635 V CA -0.789 61.521 62.300 0.017 0.000 0.908 635 V CB 1.174 33.089 31.823 0.154 0.000 0.985 635 V HN 0.929 nan 8.190 nan 0.000 0.454 636 M N 8.726 128.010 119.600 -0.527 0.000 2.182 636 M HA 0.391 4.865 4.480 -0.010 0.000 0.285 636 M C -2.715 173.125 176.300 -0.766 0.000 0.956 636 M CA -1.575 53.401 55.300 -0.541 0.000 0.878 636 M CB 1.437 33.847 32.600 -0.316 0.000 1.373 636 M HN 0.427 nan 8.290 nan 0.000 0.393 637 P HA 0.160 nan 4.420 nan 0.000 0.271 637 P C 0.983 178.006 177.300 -0.462 0.000 1.216 637 P CA 0.862 63.198 63.100 -1.273 0.000 0.776 637 P CB 0.766 31.407 31.700 -1.766 0.000 0.881 638 G N 1.423 110.106 108.800 -0.196 0.000 2.189 638 G HA2 -0.218 3.735 3.960 -0.010 0.000 0.267 638 G HA3 -0.218 3.735 3.960 -0.010 0.000 0.267 638 G C 0.470 175.382 174.900 0.019 0.000 0.975 638 G CA 0.145 45.263 45.100 0.031 0.000 0.644 638 G HN 0.858 nan 8.290 nan 0.000 0.537 639 A N 0.169 122.955 122.820 -0.057 0.000 2.351 639 A HA 0.765 5.079 4.320 -0.010 0.000 0.257 639 A C 1.021 178.660 177.584 0.093 0.000 1.087 639 A CA 0.910 52.932 52.037 -0.024 0.000 0.798 639 A CB 0.497 19.433 19.000 -0.106 0.000 1.033 639 A HN 1.950 nan 8.150 nan 0.000 0.488 640 S N 1.012 116.703 115.700 -0.014 0.000 2.603 640 S HA 0.228 4.692 4.470 -0.010 0.000 0.268 640 S C 1.216 175.561 174.600 -0.424 0.000 1.317 640 S CA -0.205 57.925 58.200 -0.116 0.000 1.012 640 S CB 0.855 63.984 63.200 -0.118 0.000 0.926 640 S HN 0.786 nan 8.310 nan 0.000 0.539 641 R N 0.844 120.842 120.500 -0.837 0.000 2.091 641 R HA -0.148 4.186 4.340 -0.010 0.000 0.238 641 R C 2.281 178.228 176.300 -0.589 0.000 1.136 641 R CA 1.674 57.200 56.100 -0.957 0.000 0.959 641 R CB -1.189 28.719 30.300 -0.653 0.000 0.856 641 R HN 0.879 nan 8.270 nan 0.000 0.437 642 A N 0.505 123.093 122.820 -0.386 0.000 1.930 642 A HA -0.051 4.262 4.320 -0.010 0.000 0.217 642 A C 2.330 179.731 177.584 -0.306 0.000 1.175 642 A CA 1.535 53.391 52.037 -0.301 0.000 0.627 642 A CB -0.562 18.326 19.000 -0.187 0.000 0.815 642 A HN 0.503 nan 8.150 nan 0.000 0.443 643 A N -0.549 122.107 122.820 -0.274 0.000 1.902 643 A HA -0.023 4.290 4.320 -0.010 0.000 0.217 643 A C 2.061 179.460 177.584 -0.308 0.000 1.181 643 A CA 1.693 53.582 52.037 -0.246 0.000 0.623 643 A CB -0.570 18.317 19.000 -0.189 0.000 0.818 643 A HN 0.400 nan 8.150 nan 0.000 0.443 644 L N -0.332 120.671 121.223 -0.366 0.000 1.994 644 L HA -0.152 4.182 4.340 -0.010 0.000 0.208 644 L C 3.035 179.550 176.870 -0.592 0.000 1.071 644 L CA 2.068 56.668 54.840 -0.399 0.000 0.745 644 L CB -0.906 40.930 42.059 -0.373 0.000 0.892 644 L HN 0.397 nan 8.230 nan 0.000 0.431 645 A N -0.832 121.436 122.820 -0.920 0.000 1.892 645 A HA -0.272 4.042 4.320 -0.010 0.000 0.218 645 A C 2.464 179.814 177.584 -0.390 0.000 1.188 645 A CA 2.034 53.514 52.037 -0.928 0.000 0.631 645 A CB -0.565 18.003 19.000 -0.720 0.000 0.822 645 A HN 0.385 nan 8.150 nan 0.000 0.447 646 R N -1.500 118.821 120.500 -0.298 0.000 2.073 646 R HA -0.133 4.200 4.340 -0.010 0.000 0.234 646 R C 2.518 178.722 176.300 -0.161 0.000 1.134 646 R CA 1.702 57.694 56.100 -0.180 0.000 0.952 646 R CB -0.262 29.938 30.300 -0.167 0.000 0.850 646 R HN 0.452 nan 8.270 nan 0.000 0.433 647 R N 0.718 121.078 120.500 -0.233 0.000 2.092 647 R HA -0.036 4.298 4.340 -0.010 0.000 0.231 647 R C 1.944 178.219 176.300 -0.042 0.000 1.119 647 R CA 1.616 57.553 56.100 -0.272 0.000 0.970 647 R CB -0.435 29.590 30.300 -0.459 0.000 0.864 647 R HN 0.246 nan 8.270 nan 0.000 0.440 648 A N -0.199 122.612 122.820 -0.016 0.000 1.969 648 A HA 0.025 4.339 4.320 -0.010 0.000 0.218 648 A C 2.158 179.800 177.584 0.098 0.000 1.169 648 A CA 1.527 53.642 52.037 0.132 0.000 0.635 648 A CB -0.656 18.514 19.000 0.284 0.000 0.810 648 A HN 0.431 nan 8.150 nan 0.000 0.445 649 A N -0.781 122.071 122.820 0.053 0.000 2.178 649 A HA 0.144 4.457 4.320 -0.010 0.000 0.211 649 A C 0.738 178.345 177.584 0.038 0.000 1.157 649 A CA 0.587 52.654 52.037 0.049 0.000 0.780 649 A CB -0.206 18.820 19.000 0.044 0.000 0.828 649 A HN 0.378 nan 8.150 nan 0.000 0.476 650 D N 0.375 120.817 120.400 0.070 0.000 2.325 650 D HA 0.192 4.826 4.640 -0.010 0.000 0.251 650 D C 1.067 177.433 176.300 0.110 0.000 1.196 650 D CA -0.211 53.860 54.000 0.119 0.000 0.866 650 D CB 0.554 41.460 40.800 0.177 0.000 1.101 650 D HN 0.294 nan 8.370 nan 0.000 0.476 651 R N 2.756 123.189 120.500 -0.112 0.000 2.275 651 R HA 0.022 4.356 4.340 -0.010 0.000 0.199 651 R C 0.914 176.976 176.300 -0.396 0.000 0.989 651 R CA 0.406 56.313 56.100 -0.323 0.000 1.016 651 R CB 0.248 30.224 30.300 -0.540 0.000 0.918 651 R HN 0.568 nan 8.270 nan 0.000 0.473 652 H N -0.243 118.870 119.070 0.073 0.000 2.582 652 H HA -0.013 4.537 4.556 -0.010 0.000 0.269 652 H C 1.825 177.177 175.328 0.040 0.000 0.962 652 H CA 0.411 56.482 56.048 0.038 0.000 1.230 652 H CB 0.017 29.810 29.762 0.052 0.000 1.445 652 H HN 0.429 nan 8.280 nan 0.000 0.528 653 W N 1.393 122.719 121.300 0.043 0.000 2.519 653 W HA 0.133 4.787 4.660 -0.010 0.000 0.266 653 W C -0.489 176.022 176.519 -0.013 0.000 1.253 653 W CA 0.089 57.445 57.345 0.018 0.000 1.274 653 W CB -0.346 29.116 29.460 0.003 0.000 1.114 653 W HN -0.043 nan 8.180 nan 0.000 0.596 654 L N 1.706 122.381 121.223 -0.914 0.000 2.464 654 L HA 0.564 4.898 4.340 -0.010 0.000 0.266 654 L C -1.057 175.493 176.870 -0.534 0.000 0.965 654 L CA -0.282 53.967 54.840 -0.986 0.000 0.833 654 L CB 2.350 43.382 42.059 -1.711 0.000 1.296 654 L HN -0.208 nan 8.230 nan 0.000 0.405 655 T N 4.184 118.511 114.554 -0.379 0.000 2.786 655 T HA 0.487 4.831 4.350 -0.010 0.000 0.283 655 T C -0.668 173.867 174.700 -0.276 0.000 0.992 655 T CA -0.358 61.584 62.100 -0.263 0.000 0.954 655 T CB 1.475 70.243 68.868 -0.167 0.000 0.934 655 T HN 0.367 nan 8.240 nan 0.000 0.440 656 V N 6.070 125.842 119.914 -0.237 0.000 2.387 656 V HA 0.137 4.251 4.120 -0.010 0.000 0.260 656 V C 1.378 177.371 176.094 -0.169 0.000 1.054 656 V CA 0.051 62.220 62.300 -0.218 0.000 0.967 656 V CB -0.011 31.711 31.823 -0.169 0.000 1.036 656 V HN 0.860 nan 8.190 nan 0.000 0.481 657 L N 3.850 124.963 121.223 -0.183 0.000 2.131 657 L HA 0.288 4.621 4.340 -0.010 0.000 0.206 657 L C 1.045 177.853 176.870 -0.104 0.000 1.087 657 L CA 1.250 56.013 54.840 -0.128 0.000 0.767 657 L CB -0.065 41.919 42.059 -0.125 0.000 0.917 657 L HN 0.755 nan 8.230 nan 0.000 0.441 658 A N -0.466 122.279 122.820 -0.126 0.000 2.594 658 A HA 0.610 4.923 4.320 -0.010 0.000 0.296 658 A C -1.359 176.164 177.584 -0.102 0.000 1.061 658 A CA -0.443 51.536 52.037 -0.096 0.000 0.689 658 A CB 1.194 20.139 19.000 -0.091 0.000 1.280 658 A HN 0.025 nan 8.150 nan 0.000 0.406 659 N N 1.140 119.793 118.700 -0.079 0.000 2.751 659 N HA 0.464 5.197 4.740 -0.010 0.000 0.238 659 N C -1.544 173.919 175.510 -0.078 0.000 1.351 659 N CA 0.008 53.008 53.050 -0.083 0.000 0.751 659 N CB 0.885 39.310 38.487 -0.104 0.000 1.342 659 N HN 0.839 nan 8.380 nan 0.000 0.540 660 D N -1.058 119.310 120.400 -0.053 0.000 2.744 660 D HA 0.249 4.883 4.640 -0.010 0.000 0.304 660 D C 0.278 176.535 176.300 -0.072 0.000 1.179 660 D CA -0.562 53.398 54.000 -0.068 0.000 1.024 660 D CB 0.207 40.981 40.800 -0.043 0.000 1.453 660 D HN 0.063 nan 8.370 nan 0.000 0.529 661 D N -1.105 119.221 120.400 -0.124 0.000 2.363 661 D HA -0.036 4.598 4.640 -0.010 0.000 0.226 661 D C 1.031 177.276 176.300 -0.092 0.000 1.020 661 D CA 0.468 54.329 54.000 -0.231 0.000 0.892 661 D CB -0.001 40.640 40.800 -0.265 0.000 0.900 661 D HN 0.354 nan 8.370 nan 0.000 0.531 662 R N -0.278 120.263 120.500 0.068 0.000 2.175 662 R HA 0.225 4.559 4.340 -0.010 0.000 0.202 662 R C 0.533 176.998 176.300 0.275 0.000 1.018 662 R CA 0.301 56.506 56.100 0.175 0.000 1.029 662 R CB 0.450 30.818 30.300 0.114 0.000 0.959 662 R HN 0.191 nan 8.270 nan 0.000 0.480 663 R N 0.236 120.852 120.500 0.192 0.000 2.594 663 R HA 0.303 4.637 4.340 -0.010 0.000 0.265 663 R C -1.722 174.538 176.300 -0.066 0.000 1.070 663 R CA -0.741 55.326 56.100 -0.055 0.000 0.909 663 R CB 1.328 31.543 30.300 -0.141 0.000 1.243 663 R HN -0.121 nan 8.270 nan 0.000 0.455 664 Q N 1.141 120.839 119.800 -0.170 0.000 2.321 664 Q HA 0.758 5.092 4.340 -0.010 0.000 0.270 664 Q C -1.455 174.482 176.000 -0.105 0.000 1.032 664 Q CA -0.780 54.985 55.803 -0.063 0.000 0.784 664 Q CB 2.667 31.455 28.738 0.084 0.000 1.264 664 Q HN 0.800 nan 8.270 nan 0.000 0.448 665 A N 1.482 124.174 122.820 -0.214 0.000 2.574 665 A HA 0.813 5.126 4.320 -0.010 0.000 0.297 665 A C -1.236 176.040 177.584 -0.512 0.000 1.062 665 A CA -0.634 51.173 52.037 -0.383 0.000 0.686 665 A CB 1.443 20.245 19.000 -0.331 0.000 1.285 665 A HN 0.551 nan 8.150 nan 0.000 0.403 666 V N -1.143 118.349 119.914 -0.703 0.000 3.040 666 V HA 0.957 5.071 4.120 -0.010 0.000 0.312 666 V C -0.208 175.655 176.094 -0.385 0.000 1.115 666 V CA -0.386 61.562 62.300 -0.587 0.000 0.998 666 V CB 1.627 32.969 31.823 -0.803 0.000 1.042 666 V HN 1.506 nan 8.190 nan 0.000 0.433 667 S N 1.467 116.991 115.700 -0.293 0.000 2.473 667 S HA 0.781 5.245 4.470 -0.010 0.000 0.307 667 S C -0.902 173.572 174.600 -0.211 0.000 1.094 667 S CA -0.445 57.640 58.200 -0.192 0.000 1.070 667 S CB 1.414 64.545 63.200 -0.115 0.000 1.019 667 S HN 1.172 nan 8.310 nan 0.000 0.480 668 V N 8.113 127.940 119.914 -0.145 0.000 2.327 668 V HA 0.360 4.474 4.120 -0.010 0.000 0.272 668 V C -1.889 174.197 176.094 -0.014 0.000 1.019 668 V CA -1.446 60.796 62.300 -0.097 0.000 0.814 668 V CB 1.164 32.941 31.823 -0.077 0.000 1.040 668 V HN 0.671 nan 8.190 nan 0.000 0.440 669 P HA -0.103 nan 4.420 nan 0.000 0.219 669 P C 1.826 179.160 177.300 0.056 0.000 1.150 669 P CA 1.450 64.574 63.100 0.040 0.000 0.814 669 P CB 0.214 31.943 31.700 0.048 0.000 0.787 670 S N -0.646 115.102 115.700 0.080 0.000 2.442 670 S HA -0.090 4.374 4.470 -0.010 0.000 0.236 670 S C 1.599 176.232 174.600 0.055 0.000 1.007 670 S CA 1.015 59.262 58.200 0.079 0.000 0.965 670 S CB -1.397 61.868 63.200 0.109 0.000 0.773 670 S HN 0.137 nan 8.310 nan 0.000 0.504 671 L N 0.698 121.938 121.223 0.028 0.000 2.728 671 L HA 0.395 4.729 4.340 -0.010 0.000 0.238 671 L C 1.580 178.463 176.870 0.021 0.000 1.143 671 L CA 0.123 54.962 54.840 -0.000 0.000 0.937 671 L CB -0.360 41.619 42.059 -0.133 0.000 1.225 671 L HN 0.493 nan 8.230 nan 0.000 0.507 672 G N 1.768 110.587 108.800 0.032 0.000 2.283 672 G HA2 -0.322 3.632 3.960 -0.010 0.000 0.280 672 G HA3 -0.322 3.632 3.960 -0.010 0.000 0.280 672 G C -0.121 174.792 174.900 0.021 0.000 1.029 672 G CA 0.636 45.761 45.100 0.041 0.000 0.840 672 G HN 0.342 nan 8.290 nan 0.000 0.505 673 L N 0.410 121.629 121.223 -0.006 0.000 2.322 673 L HA 0.800 5.134 4.340 -0.010 0.000 0.281 673 L C -0.306 176.534 176.870 -0.051 0.000 1.014 673 L CA -0.603 54.216 54.840 -0.035 0.000 0.815 673 L CB 1.927 43.948 42.059 -0.064 0.000 1.247 673 L HN 0.040 nan 8.230 nan 0.000 0.421 674 T N 4.313 118.833 114.554 -0.057 0.000 2.812 674 T HA 0.788 5.132 4.350 -0.010 0.000 0.282 674 T C -0.684 173.971 174.700 -0.075 0.000 0.990 674 T CA -0.451 61.610 62.100 -0.066 0.000 0.960 674 T CB 1.580 70.449 68.868 0.001 0.000 0.948 674 T HN 0.719 nan 8.240 nan 0.000 0.438 675 A N 2.241 124.988 122.820 -0.122 0.000 2.414 675 A HA 0.966 5.280 4.320 -0.010 0.000 0.306 675 A C -0.945 176.590 177.584 -0.082 0.000 1.054 675 A CA -0.912 51.106 52.037 -0.032 0.000 0.724 675 A CB 1.481 20.541 19.000 0.100 0.000 1.267 675 A HN 1.146 nan 8.150 nan 0.000 0.418 676 A N 2.239 125.075 122.820 0.025 0.000 2.437 676 A HA 0.682 4.996 4.320 -0.010 0.000 0.293 676 A C -1.435 176.048 177.584 -0.167 0.000 1.038 676 A CA -0.730 51.189 52.037 -0.197 0.000 0.708 676 A CB 1.076 19.808 19.000 -0.447 0.000 1.251 676 A HN 0.651 nan 8.150 nan 0.000 0.409 677 N N 1.677 120.217 118.700 -0.266 0.000 2.485 677 N HA 0.438 5.172 4.740 -0.010 0.000 0.243 677 N C -1.579 173.461 175.510 -0.784 0.000 0.987 677 N CA 0.143 52.947 53.050 -0.411 0.000 0.940 677 N CB 0.518 38.613 38.487 -0.653 0.000 1.122 677 N HN 0.474 nan 8.380 nan 0.000 0.509 678 F N 1.144 120.957 119.950 -0.227 0.000 2.350 678 F HA 0.237 4.758 4.527 -0.011 0.000 0.365 678 F C 0.913 176.602 175.800 -0.186 0.000 1.122 678 F CA -0.908 57.000 58.000 -0.152 0.000 1.139 678 F CB 0.401 39.428 39.000 0.044 0.000 1.220 678 F HN 0.532 nan 8.300 nan 0.000 0.499 679 W N 1.463 122.738 121.300 -0.041 0.000 2.465 679 W HA -0.021 4.633 4.660 -0.010 0.000 0.268 679 W C 0.694 177.264 176.519 0.084 0.000 1.242 679 W CA 0.228 57.434 57.345 -0.233 0.000 1.248 679 W CB -0.178 29.052 29.460 -0.383 0.000 1.118 679 W HN 0.408 nan 8.180 nan 0.000 0.587 680 Q N -1.351 118.652 119.800 0.337 0.000 2.707 680 Q HA 0.665 4.999 4.340 -0.010 0.000 0.307 680 Q C -0.693 175.440 176.000 0.221 0.000 0.934 680 Q CA -1.199 54.762 55.803 0.263 0.000 0.753 680 Q CB 0.968 29.818 28.738 0.188 0.000 1.478 680 Q HN -0.163 nan 8.270 nan 0.000 0.458 681 A N -0.170 122.726 122.820 0.127 0.000 2.587 681 A HA 0.516 4.829 4.320 -0.010 0.000 0.233 681 A C 0.611 178.230 177.584 0.058 0.000 1.049 681 A CA 1.305 53.367 52.037 0.040 0.000 0.754 681 A CB -0.740 18.272 19.000 0.020 0.000 0.977 681 A HN 1.268 nan 8.150 nan 0.000 0.509 682 G N -0.269 108.514 108.800 -0.028 0.000 2.345 682 G HA2 0.589 4.542 3.960 -0.010 0.000 0.285 682 G HA3 0.589 4.542 3.960 -0.010 0.000 0.285 682 G C -0.517 174.398 174.900 0.025 0.000 1.297 682 G CA 0.278 45.413 45.100 0.059 0.000 0.875 682 G HN 2.028 nan 8.290 nan 0.000 0.506 683 T N -2.610 112.071 114.554 0.211 0.000 2.900 683 T HA 0.926 5.270 4.350 -0.010 0.000 0.295 683 T C -0.472 174.452 174.700 0.373 0.000 1.044 683 T CA 0.240 62.502 62.100 0.270 0.000 0.995 683 T CB 1.921 70.857 68.868 0.112 0.000 1.072 683 T HN 2.334 nan 8.240 nan 0.000 0.473 684 A N 1.671 124.725 122.820 0.390 0.000 2.442 684 A HA 0.863 5.177 4.320 -0.010 0.000 0.284 684 A C 0.886 178.549 177.584 0.131 0.000 1.058 684 A CA 0.052 52.184 52.037 0.158 0.000 0.738 684 A CB 0.698 19.652 19.000 -0.076 0.000 1.242 684 A HN 2.293 nan 8.150 nan 0.000 0.421 685 G N 3.349 112.190 108.800 0.069 0.000 2.651 685 G HA2 -0.267 3.687 3.960 -0.010 0.000 0.315 685 G HA3 -0.267 3.687 3.960 -0.010 0.000 0.315 685 G C -0.832 174.134 174.900 0.110 0.000 1.258 685 G CA 0.595 45.734 45.100 0.065 0.000 1.002 685 G HN 0.986 nan 8.290 nan 0.000 0.551 686 P HA 0.326 nan 4.420 nan 0.000 0.257 686 P C 0.252 177.721 177.300 0.283 0.000 1.281 686 P CA 0.413 63.627 63.100 0.190 0.000 0.826 686 P CB 0.003 31.851 31.700 0.246 0.000 1.237 687 L N -0.627 120.768 121.223 0.287 0.000 2.346 687 L HA 0.536 4.870 4.340 -0.010 0.000 0.274 687 L C 0.015 177.004 176.870 0.198 0.000 1.007 687 L CA -0.297 54.724 54.840 0.302 0.000 0.818 687 L CB 2.282 44.585 42.059 0.406 0.000 1.284 687 L HN -0.293 nan 8.230 nan 0.000 0.424 688 T N 0.272 114.827 114.554 0.003 0.000 2.886 688 T HA 0.485 4.829 4.350 -0.010 0.000 0.292 688 T C -0.685 173.801 174.700 -0.358 0.000 1.012 688 T CA -0.453 61.535 62.100 -0.187 0.000 0.982 688 T CB 2.172 70.979 68.868 -0.100 0.000 1.018 688 T HN 0.563 nan 8.240 nan 0.000 0.451 689 T N 0.188 114.386 114.554 -0.592 0.000 2.906 689 T HA 0.537 4.881 4.350 -0.010 0.000 0.295 689 T C 1.143 175.697 174.700 -0.243 0.000 1.061 689 T CA -0.321 61.512 62.100 -0.446 0.000 1.000 689 T CB 1.441 69.929 68.868 -0.633 0.000 1.103 689 T HN 0.709 nan 8.240 nan 0.000 0.486 690 T N 0.437 114.919 114.554 -0.120 0.000 3.107 690 T HA 0.651 4.995 4.350 -0.010 0.000 0.249 690 T C 0.498 175.188 174.700 -0.017 0.000 1.096 690 T CA 0.274 62.343 62.100 -0.051 0.000 1.012 690 T CB 0.025 68.885 68.868 -0.013 0.000 0.977 690 T HN 0.836 nan 8.240 nan 0.000 0.527 691 A N -0.029 122.782 122.820 -0.016 0.000 2.599 691 A HA 0.775 5.088 4.320 -0.010 0.000 0.290 691 A C 0.200 177.848 177.584 0.107 0.000 1.101 691 A CA -0.532 51.535 52.037 0.050 0.000 0.674 691 A CB 0.319 19.348 19.000 0.048 0.000 1.277 691 A HN 0.479 nan 8.150 nan 0.000 0.419 692 G N -0.362 108.562 108.800 0.206 0.000 2.225 692 G HA2 0.612 4.565 3.960 -0.010 0.000 0.245 692 G HA3 0.612 4.565 3.960 -0.010 0.000 0.245 692 G C 0.121 175.163 174.900 0.237 0.000 1.249 692 G CA 1.023 46.359 45.100 0.393 0.000 0.919 692 G HN 2.111 nan 8.290 nan 0.000 0.486 693 A N 1.612 124.645 122.820 0.355 0.000 2.597 693 A HA 0.746 5.060 4.320 -0.010 0.000 0.292 693 A C -0.467 177.328 177.584 0.350 0.000 1.057 693 A CA -0.269 51.876 52.037 0.180 0.000 0.674 693 A CB 1.452 20.538 19.000 0.143 0.000 1.278 693 A HN 1.382 nan 8.150 nan 0.000 0.416 694 S N 0.081 115.881 115.700 0.167 0.000 2.478 694 S HA 0.712 5.176 4.470 -0.010 0.000 0.312 694 S C -1.085 173.615 174.600 0.166 0.000 1.094 694 S CA -0.382 57.944 58.200 0.210 0.000 1.081 694 S CB 0.880 64.160 63.200 0.133 0.000 1.007 694 S HN 1.275 nan 8.310 nan 0.000 0.475 695 V N 5.463 125.492 119.914 0.190 0.000 2.588 695 V HA 0.657 4.771 4.120 -0.010 0.000 0.304 695 V C -0.936 175.212 176.094 0.089 0.000 1.042 695 V CA -0.809 61.578 62.300 0.145 0.000 0.877 695 V CB 1.605 33.556 31.823 0.214 0.000 0.996 695 V HN 0.798 nan 8.190 nan 0.000 0.425 696 L N 5.629 126.870 121.223 0.030 0.000 2.381 696 L HA 0.803 5.137 4.340 -0.010 0.000 0.274 696 L C -0.876 175.937 176.870 -0.095 0.000 0.988 696 L CA -0.120 54.721 54.840 0.001 0.000 0.824 696 L CB 2.003 44.084 42.059 0.037 0.000 1.263 696 L HN 0.456 nan 8.230 nan 0.000 0.410 697 V N 5.353 125.161 119.914 -0.176 0.000 2.513 697 V HA 0.621 4.735 4.120 -0.010 0.000 0.299 697 V C -0.207 175.757 176.094 -0.217 0.000 1.035 697 V CA -0.637 61.455 62.300 -0.346 0.000 0.889 697 V CB 1.800 33.210 31.823 -0.690 0.000 0.988 697 V HN 0.732 nan 8.190 nan 0.000 0.440 698 R N 3.312 123.698 120.500 -0.190 0.000 2.451 698 R HA 0.533 4.867 4.340 -0.010 0.000 0.307 698 R C -0.597 175.657 176.300 -0.077 0.000 0.965 698 R CA -0.676 55.378 56.100 -0.076 0.000 0.865 698 R CB 1.495 31.797 30.300 0.003 0.000 1.174 698 R HN 0.684 nan 8.270 nan 0.000 0.455 699 R N 2.933 123.418 120.500 -0.024 0.000 2.349 699 R HA 0.384 4.718 4.340 -0.010 0.000 0.299 699 R C -0.368 175.953 176.300 0.035 0.000 1.027 699 R CA -0.496 55.614 56.100 0.017 0.000 0.958 699 R CB 1.493 31.832 30.300 0.065 0.000 1.047 699 R HN 0.398 nan 8.270 nan 0.000 0.468 700 R N 1.766 122.289 120.500 0.037 0.000 2.680 700 R HA 0.239 4.573 4.340 -0.010 0.000 0.278 700 R C 0.155 176.481 176.300 0.044 0.000 1.582 700 R CA 0.105 56.231 56.100 0.043 0.000 1.177 700 R CB 1.716 32.039 30.300 0.039 0.000 1.232 700 R HN 0.996 nan 8.270 nan 0.000 0.528 701 G N 2.125 110.955 108.800 0.050 0.000 2.557 701 G HA2 -0.391 3.563 3.960 -0.010 0.000 0.292 701 G HA3 -0.391 3.563 3.960 -0.010 0.000 0.292 701 G C 0.554 175.487 174.900 0.055 0.000 1.162 701 G CA 0.081 45.210 45.100 0.049 0.000 0.964 701 G HN 0.549 nan 8.290 nan 0.000 0.541 702 R N 1.699 122.229 120.500 0.050 0.000 2.359 702 R HA 0.313 4.647 4.340 -0.010 0.000 0.231 702 R C 0.713 177.048 176.300 0.058 0.000 0.913 702 R CA 1.017 57.150 56.100 0.056 0.000 1.075 702 R CB 0.370 30.698 30.300 0.047 0.000 1.087 702 R HN 0.804 nan 8.270 nan 0.000 0.515 703 T N -2.854 111.731 114.554 0.052 0.000 2.883 703 T HA 0.814 5.158 4.350 -0.010 0.000 0.296 703 T C -0.813 173.914 174.700 0.045 0.000 1.117 703 T CA -0.918 61.214 62.100 0.052 0.000 1.006 703 T CB 2.532 71.424 68.868 0.040 0.000 1.191 703 T HN 0.035 nan 8.240 nan 0.000 0.508 704 A N 0.655 123.501 122.820 0.044 0.000 2.556 704 A HA 0.832 5.146 4.320 -0.010 0.000 0.294 704 A C -0.476 177.076 177.584 -0.053 0.000 1.091 704 A CA -0.903 51.123 52.037 -0.019 0.000 0.704 704 A CB 1.730 20.703 19.000 -0.046 0.000 1.300 704 A HN 0.909 nan 8.150 nan 0.000 0.406 705 T N 1.382 115.873 114.554 -0.105 0.000 2.824 705 T HA 0.570 4.914 4.350 -0.010 0.000 0.282 705 T C -0.873 173.721 174.700 -0.176 0.000 0.993 705 T CA -0.193 61.848 62.100 -0.099 0.000 0.967 705 T CB 1.074 69.912 68.868 -0.050 0.000 0.960 705 T HN 0.619 nan 8.240 nan 0.000 0.441 706 L N 3.753 124.883 121.223 -0.155 0.000 2.322 706 L HA 0.686 5.020 4.340 -0.010 0.000 0.281 706 L C -0.535 176.291 176.870 -0.073 0.000 1.014 706 L CA -0.641 54.092 54.840 -0.178 0.000 0.815 706 L CB 0.863 42.811 42.059 -0.185 0.000 1.247 706 L HN 0.518 nan 8.230 nan 0.000 0.421 707 R N 3.883 124.349 120.500 -0.057 0.000 2.599 707 R HA 0.730 5.064 4.340 -0.010 0.000 0.295 707 R C -1.684 174.629 176.300 0.022 0.000 0.963 707 R CA -0.748 55.346 56.100 -0.009 0.000 0.883 707 R CB 2.591 32.881 30.300 -0.017 0.000 1.171 707 R HN 0.433 nan 8.270 nan 0.000 0.450 708 V N 2.312 122.263 119.914 0.061 0.000 2.686 708 V HA 0.620 4.734 4.120 -0.010 0.000 0.306 708 V C -0.955 175.213 176.094 0.123 0.000 1.065 708 V CA -0.256 62.098 62.300 0.090 0.000 0.894 708 V CB 2.049 33.927 31.823 0.091 0.000 1.004 708 V HN 0.960 nan 8.190 nan 0.000 0.424 709 S N 4.281 120.022 115.700 0.069 0.000 2.677 709 S HA 0.670 5.134 4.470 -0.010 0.000 0.304 709 S C -0.695 173.890 174.600 -0.025 0.000 1.108 709 S CA -0.653 57.572 58.200 0.041 0.000 0.944 709 S CB 2.167 65.343 63.200 -0.041 0.000 1.127 709 S HN 0.867 nan 8.310 nan 0.000 0.511 710 E N 1.098 121.261 120.200 -0.061 0.000 2.489 710 E HA 0.330 4.674 4.350 -0.010 0.000 0.232 710 E C -2.285 174.149 176.600 -0.277 0.000 0.990 710 E CA -2.213 54.102 56.400 -0.142 0.000 0.768 710 E CB 1.164 30.833 29.700 -0.052 0.000 1.270 710 E HN 0.381 nan 8.360 nan 0.000 0.423 711 P HA -0.020 nan 4.420 nan 0.000 0.221 711 P C -1.876 175.167 177.300 -0.428 0.000 1.150 711 P CA 0.460 63.173 63.100 -0.646 0.000 0.800 711 P CB -0.277 30.614 31.700 -1.347 0.000 0.787 712 P HA -0.086 nan 4.420 nan 0.000 0.223 712 P C -0.082 177.203 177.300 -0.024 0.000 1.144 712 P CA 1.005 64.054 63.100 -0.085 0.000 0.783 712 P CB -0.419 31.284 31.700 0.004 0.000 0.771 713 R N -2.238 118.228 120.500 -0.057 0.000 3.641 713 R HA -0.161 4.173 4.340 -0.010 0.000 0.286 713 R C 1.161 177.473 176.300 0.021 0.000 1.153 713 R CA 0.894 56.989 56.100 -0.007 0.000 0.775 713 R CB -2.921 27.386 30.300 0.012 0.000 1.215 713 R HN 0.384 nan 8.270 nan 0.000 0.474 714 T N -4.121 110.446 114.554 0.021 0.000 2.951 714 T HA 0.056 4.399 4.350 -0.010 0.000 0.268 714 T C 1.715 176.431 174.700 0.027 0.000 1.073 714 T CA 1.108 63.227 62.100 0.033 0.000 1.134 714 T CB 0.203 69.094 68.868 0.038 0.000 0.884 714 T HN 0.841 nan 8.240 nan 0.000 0.479 715 G N 1.283 110.094 108.800 0.019 0.000 2.168 715 G HA2 -0.258 3.696 3.960 -0.010 0.000 0.263 715 G HA3 -0.258 3.696 3.960 -0.010 0.000 0.263 715 G C -0.192 174.713 174.900 0.007 0.000 0.977 715 G CA 0.302 45.412 45.100 0.016 0.000 0.659 715 G HN 0.705 nan 8.290 nan 0.000 0.533 716 E N 0.629 120.835 120.200 0.009 0.000 2.354 716 E HA 0.541 4.884 4.350 -0.010 0.000 0.269 716 E C 0.936 177.532 176.600 -0.008 0.000 1.036 716 E CA -0.046 56.357 56.400 0.005 0.000 0.876 716 E CB 0.947 30.656 29.700 0.016 0.000 1.009 716 E HN 0.635 nan 8.360 nan 0.000 0.416 717 A N 2.759 125.571 122.820 -0.013 0.000 2.466 717 A HA 0.389 4.703 4.320 -0.010 0.000 0.238 717 A C -0.277 177.299 177.584 -0.015 0.000 1.074 717 A CA -0.062 51.959 52.037 -0.026 0.000 0.774 717 A CB -0.108 18.876 19.000 -0.027 0.000 1.015 717 A HN 0.499 nan 8.150 nan 0.000 0.498 718 L N -1.585 119.625 121.223 -0.020 0.000 2.479 718 L HA 0.847 5.181 4.340 -0.010 0.000 0.255 718 L C -0.682 176.189 176.870 0.000 0.000 1.026 718 L CA -0.728 54.108 54.840 -0.007 0.000 0.842 718 L CB 1.769 43.823 42.059 -0.009 0.000 1.444 718 L HN 0.651 nan 8.230 nan 0.000 0.409 719 E N 1.517 121.731 120.200 0.023 0.000 2.227 719 E HA 0.697 5.041 4.350 -0.010 0.000 0.268 719 E C -1.249 175.379 176.600 0.047 0.000 0.907 719 E CA -0.878 55.567 56.400 0.075 0.000 0.786 719 E CB 2.549 32.359 29.700 0.183 0.000 1.191 719 E HN 0.392 nan 8.360 nan 0.000 0.411 720 I N 2.186 122.810 120.570 0.090 0.000 2.509 720 I HA 0.376 4.540 4.170 -0.010 0.000 0.293 720 I C -0.457 175.731 176.117 0.118 0.000 1.020 720 I CA -0.916 60.415 61.300 0.051 0.000 1.088 720 I CB 1.589 39.624 38.000 0.059 0.000 1.267 720 I HN 0.268 nan 8.210 nan 0.000 0.430 721 V N 4.712 124.651 119.914 0.042 0.000 2.495 721 V HA 0.389 4.503 4.120 -0.010 0.000 0.298 721 V C -1.179 175.027 176.094 0.188 0.000 1.031 721 V CA -0.583 61.747 62.300 0.051 0.000 0.871 721 V CB 2.420 34.171 31.823 -0.121 0.000 0.988 721 V HN 0.795 nan 8.190 nan 0.000 0.432 722 W N 4.580 125.898 121.300 0.029 0.000 2.411 722 W HA 0.533 5.187 4.660 -0.010 0.000 0.317 722 W C -0.211 176.348 176.519 0.067 0.000 1.030 722 W CA -1.279 56.099 57.345 0.056 0.000 1.239 722 W CB 1.416 30.917 29.460 0.068 0.000 1.304 722 W HN 0.657 nan 8.180 nan 0.000 0.437 723 D N 4.683 124.995 120.400 -0.146 0.000 2.608 723 D HA 0.030 4.663 4.640 -0.010 0.000 0.224 723 D C -0.842 175.153 176.300 -0.508 0.000 1.123 723 D CA 0.695 54.543 54.000 -0.254 0.000 1.030 723 D CB -0.466 40.270 40.800 -0.106 0.000 1.093 723 D HN 0.360 nan 8.370 nan 0.000 0.497 724 H N 1.369 119.910 119.070 -0.881 0.000 2.865 724 H HA 0.352 4.902 4.556 -0.010 0.000 0.362 724 H C -2.887 172.110 175.328 -0.552 0.000 1.114 724 H CA -1.969 53.554 56.048 -0.874 0.000 1.208 724 H CB 2.054 30.799 29.762 -1.694 0.000 1.727 724 H HN 0.034 nan 8.280 nan 0.000 0.534 725 P HA -0.005 nan 4.420 nan 0.000 0.262 725 P C -0.816 176.533 177.300 0.082 0.000 1.182 725 P CA 0.181 63.213 63.100 -0.113 0.000 0.761 725 P CB 0.505 32.113 31.700 -0.154 0.000 0.795 726 V N 0.575 120.518 119.914 0.050 0.000 2.686 726 V HA 0.743 4.857 4.120 -0.010 0.000 0.306 726 V C 0.793 176.929 176.094 0.069 0.000 1.065 726 V CA -0.214 62.143 62.300 0.095 0.000 0.894 726 V CB 1.610 33.513 31.823 0.134 0.000 1.004 726 V HN 0.574 nan 8.190 nan 0.000 0.424 727 G N 2.802 111.644 108.800 0.070 0.000 2.437 727 G HA2 0.633 4.587 3.960 -0.010 0.000 0.212 727 G HA3 0.633 4.587 3.960 -0.010 0.000 0.212 727 G C 0.442 175.371 174.900 0.048 0.000 1.174 727 G CA 0.576 45.706 45.100 0.050 0.000 0.811 727 G HN 1.642 nan 8.290 nan 0.000 0.537 728 A N -1.168 121.686 122.820 0.057 0.000 2.606 728 A HA 0.642 4.956 4.320 -0.010 0.000 0.293 728 A C -1.623 175.996 177.584 0.057 0.000 1.082 728 A CA -0.398 51.668 52.037 0.049 0.000 0.685 728 A CB 1.589 20.613 19.000 0.039 0.000 1.284 728 A HN 0.358 nan 8.150 nan 0.000 0.408 729 V N 2.422 122.366 119.914 0.049 0.000 2.370 729 V HA 0.252 4.366 4.120 -0.010 0.000 0.279 729 V C 0.859 176.977 176.094 0.039 0.000 1.029 729 V CA -0.064 62.266 62.300 0.050 0.000 0.870 729 V CB 0.987 32.838 31.823 0.046 0.000 0.984 729 V HN 0.837 nan 8.190 nan 0.000 0.451 730 L N 4.792 126.039 121.223 0.039 0.000 2.202 730 L HA 0.250 4.584 4.340 -0.010 0.000 0.205 730 L C 0.887 177.773 176.870 0.025 0.000 1.083 730 L CA 0.832 55.690 54.840 0.030 0.000 0.790 730 L CB -0.022 42.054 42.059 0.030 0.000 0.942 730 L HN 0.733 nan 8.230 nan 0.000 0.452 731 R N -1.030 119.486 120.500 0.027 0.000 2.690 731 R HA 0.789 5.123 4.340 -0.010 0.000 0.269 731 R C -1.583 174.732 176.300 0.026 0.000 1.037 731 R CA -0.679 55.435 56.100 0.023 0.000 0.877 731 R CB 1.507 31.819 30.300 0.019 0.000 1.255 731 R HN -0.149 nan 8.270 nan 0.000 0.467 732 A N 1.182 124.017 122.820 0.025 0.000 2.520 732 A HA 0.544 4.858 4.320 -0.010 0.000 0.298 732 A C -1.436 176.166 177.584 0.031 0.000 1.051 732 A CA -0.929 51.125 52.037 0.029 0.000 0.690 732 A CB 1.524 20.540 19.000 0.027 0.000 1.281 732 A HN 0.696 nan 8.150 nan 0.000 0.402 733 D N 0.941 121.368 120.400 0.044 0.000 2.378 733 D HA 0.130 4.764 4.640 -0.010 0.000 0.238 733 D C 0.882 177.208 176.300 0.043 0.000 1.180 733 D CA -0.010 54.023 54.000 0.055 0.000 0.895 733 D CB 0.819 41.681 40.800 0.102 0.000 1.192 733 D HN 0.502 nan 8.370 nan 0.000 0.438 734 E N -0.009 120.217 120.200 0.043 0.000 2.268 734 E HA -0.101 4.242 4.350 -0.010 0.000 0.195 734 E C 1.748 178.355 176.600 0.011 0.000 0.995 734 E CA 0.801 57.216 56.400 0.025 0.000 0.836 734 E CB -0.381 29.334 29.700 0.026 0.000 0.763 734 E HN 0.602 nan 8.360 nan 0.000 0.491 735 T N -1.859 112.706 114.554 0.018 0.000 3.113 735 T HA 0.037 4.381 4.350 -0.010 0.000 0.263 735 T C 0.918 175.561 174.700 -0.095 0.000 1.143 735 T CA 0.067 62.134 62.100 -0.056 0.000 1.090 735 T CB 0.002 68.801 68.868 -0.115 0.000 0.922 735 T HN -0.196 nan 8.240 nan 0.000 0.521 736 V N 1.606 121.499 119.914 -0.036 0.000 2.384 736 V HA 0.424 4.538 4.120 -0.010 0.000 0.287 736 V C -0.166 175.915 176.094 -0.022 0.000 1.020 736 V CA -1.176 61.105 62.300 -0.031 0.000 0.850 736 V CB 1.582 33.409 31.823 0.007 0.000 0.987 736 V HN 0.404 nan 8.190 nan 0.000 0.436 737 E N 4.665 124.845 120.200 -0.035 0.000 2.191 737 E HA 0.419 4.763 4.350 -0.010 0.000 0.278 737 E C -1.058 175.519 176.600 -0.038 0.000 0.972 737 E CA -0.812 55.567 56.400 -0.035 0.000 0.804 737 E CB 1.299 30.970 29.700 -0.049 0.000 1.110 737 E HN 0.478 nan 8.360 nan 0.000 0.394 738 I N 6.558 127.112 120.570 -0.027 0.000 2.352 738 I HA 0.044 4.207 4.170 -0.010 0.000 0.290 738 I C 1.036 177.117 176.117 -0.060 0.000 1.036 738 I CA 0.148 61.435 61.300 -0.021 0.000 1.336 738 I CB 0.786 38.791 38.000 0.008 0.000 1.407 738 I HN 0.736 nan 8.210 nan 0.000 0.497 739 L N 4.879 126.028 121.223 -0.123 0.000 2.298 739 L HA 0.370 4.704 4.340 -0.010 0.000 0.209 739 L C 0.846 177.666 176.870 -0.082 0.000 1.084 739 L CA 0.360 55.085 54.840 -0.192 0.000 0.816 739 L CB -0.010 41.739 42.059 -0.516 0.000 0.967 739 L HN 0.732 nan 8.230 nan 0.000 0.460 740 A N -0.350 122.473 122.820 0.005 0.000 2.604 740 A HA 0.638 4.952 4.320 -0.010 0.000 0.295 740 A C -0.426 177.210 177.584 0.086 0.000 1.067 740 A CA -0.220 51.856 52.037 0.065 0.000 0.683 740 A CB 1.266 20.341 19.000 0.125 0.000 1.281 740 A HN 0.065 nan 8.150 nan 0.000 0.407 741 T N -1.688 112.905 114.554 0.065 0.000 2.724 741 T HA 0.968 5.312 4.350 -0.010 0.000 0.274 741 T C 0.816 175.542 174.700 0.043 0.000 0.984 741 T CA 0.274 62.413 62.100 0.065 0.000 1.024 741 T CB 1.138 70.041 68.868 0.058 0.000 1.320 741 T HN 2.691 nan 8.240 nan 0.000 0.555 742 G N 0.773 109.592 108.800 0.031 0.000 2.964 742 G HA2 -0.194 3.759 3.960 -0.010 0.000 0.229 742 G HA3 -0.194 3.759 3.960 -0.010 0.000 0.229 742 G C 0.729 175.621 174.900 -0.012 0.000 1.395 742 G CA 0.134 45.240 45.100 0.010 0.000 1.060 742 G HN 0.792 nan 8.290 nan 0.000 0.568 743 R N 1.486 121.971 120.500 -0.026 0.000 2.189 743 R HA 0.141 4.475 4.340 -0.010 0.000 0.218 743 R C 1.403 177.650 176.300 -0.089 0.000 1.074 743 R CA 1.673 57.735 56.100 -0.064 0.000 0.991 743 R CB -0.108 30.156 30.300 -0.059 0.000 0.883 743 R HN 0.691 nan 8.270 nan 0.000 0.457 744 R N -0.925 119.547 120.500 -0.046 0.000 2.766 744 R HA 0.323 4.657 4.340 -0.010 0.000 0.270 744 R C -1.738 174.590 176.300 0.047 0.000 1.035 744 R CA -0.985 55.087 56.100 -0.046 0.000 0.911 744 R CB 0.663 30.930 30.300 -0.056 0.000 1.243 744 R HN -0.115 nan 8.270 nan 0.000 0.460 745 L N 1.017 122.308 121.223 0.113 0.000 2.296 745 L HA 0.465 4.799 4.340 -0.010 0.000 0.286 745 L C -1.094 175.924 176.870 0.247 0.000 1.023 745 L CA -0.237 54.727 54.840 0.208 0.000 0.812 745 L CB 1.223 43.485 42.059 0.338 0.000 1.223 745 L HN 0.738 nan 8.230 nan 0.000 0.421 746 H N 5.813 124.934 119.070 0.085 0.000 2.658 746 H HA 0.620 5.169 4.556 -0.010 0.000 0.337 746 H C -1.630 173.727 175.328 0.048 0.000 1.009 746 H CA -0.876 55.208 56.048 0.060 0.000 1.231 746 H CB 1.166 30.950 29.762 0.036 0.000 1.508 746 H HN 0.623 nan 8.280 nan 0.000 0.517 747 L N 4.376 125.727 121.223 0.212 0.000 2.354 747 L HA 0.534 4.868 4.340 -0.010 0.000 0.264 747 L C -0.459 176.422 176.870 0.019 0.000 1.008 747 L CA -0.986 53.886 54.840 0.054 0.000 0.819 747 L CB 2.640 44.743 42.059 0.073 0.000 1.339 747 L HN 0.505 nan 8.230 nan 0.000 0.420 748 R N 1.396 121.869 120.500 -0.045 0.000 2.439 748 R HA 0.719 5.053 4.340 -0.010 0.000 0.310 748 R C -1.843 174.424 176.300 -0.055 0.000 0.955 748 R CA -0.466 55.607 56.100 -0.046 0.000 0.853 748 R CB 1.891 32.147 30.300 -0.075 0.000 1.171 748 R HN 0.456 nan 8.270 nan 0.000 0.449 749 V N 3.475 123.351 119.914 -0.064 0.000 2.448 749 V HA 0.342 4.456 4.120 -0.010 0.000 0.295 749 V C -0.232 175.769 176.094 -0.154 0.000 1.025 749 V CA -0.689 61.534 62.300 -0.128 0.000 0.859 749 V CB 2.041 33.781 31.823 -0.140 0.000 0.988 749 V HN 0.790 nan 8.190 nan 0.000 0.431 750 T N 7.936 122.372 114.554 -0.196 0.000 2.832 750 T HA 0.306 4.650 4.350 -0.010 0.000 0.313 750 T C -1.748 172.814 174.700 -0.230 0.000 1.035 750 T CA -0.839 61.168 62.100 -0.155 0.000 0.950 750 T CB 1.253 70.066 68.868 -0.092 0.000 0.984 750 T HN 0.609 nan 8.240 nan 0.000 0.486 751 P HA 0.233 nan 4.420 nan 0.000 0.267 751 P C 0.894 178.256 177.300 0.103 0.000 1.289 751 P CA 0.072 63.086 63.100 -0.143 0.000 0.866 751 P CB 0.234 31.916 31.700 -0.030 0.000 1.309 752 G N 0.899 109.729 108.800 0.050 0.000 2.697 752 G HA2 -0.214 3.740 3.960 -0.010 0.000 0.240 752 G HA3 -0.214 3.740 3.960 -0.010 0.000 0.240 752 G C 0.364 175.300 174.900 0.061 0.000 1.346 752 G CA 0.088 45.233 45.100 0.074 0.000 0.887 752 G HN 0.346 nan 8.290 nan 0.000 0.569 753 V N -3.202 116.749 119.914 0.060 0.000 3.252 753 V HA 0.568 4.681 4.120 -0.010 0.000 0.320 753 V C 1.388 177.514 176.094 0.053 0.000 1.459 753 V CA 1.267 63.597 62.300 0.050 0.000 1.095 753 V CB 0.220 32.074 31.823 0.052 0.000 0.997 753 V HN 2.164 nan 8.190 nan 0.000 0.469 754 V N -4.234 115.711 119.914 0.052 0.000 3.253 754 V HA 0.415 4.529 4.120 -0.010 0.000 0.320 754 V C 1.055 177.156 176.094 0.011 0.000 1.442 754 V CA 0.110 62.438 62.300 0.047 0.000 1.097 754 V CB -0.924 30.941 31.823 0.071 0.000 1.008 754 V HN 0.627 nan 8.190 nan 0.000 0.463 755 C N 1.621 120.918 119.300 -0.005 0.000 4.454 755 C HA -0.185 4.269 4.460 -0.010 0.000 0.298 755 C C 1.030 175.982 174.990 -0.063 0.000 1.384 755 C CA 1.076 60.067 59.018 -0.044 0.000 2.002 755 C CB -2.799 24.900 27.740 -0.067 0.000 1.249 755 C HN 0.876 nan 8.230 nan 0.000 0.783 756 T N 2.807 117.314 114.554 -0.079 0.000 2.940 756 T HA 0.257 4.601 4.350 -0.010 0.000 0.309 756 T C 0.721 175.211 174.700 -0.350 0.000 1.056 756 T CA 0.966 62.936 62.100 -0.217 0.000 1.137 756 T CB 0.712 69.414 68.868 -0.277 0.000 0.976 756 T HN 0.630 nan 8.240 nan 0.000 0.547 757 T N 3.759 118.129 114.554 -0.307 0.000 2.780 757 T HA 0.263 4.607 4.350 -0.010 0.000 0.294 757 T C -0.105 174.331 174.700 -0.440 0.000 0.949 757 T CA -0.404 61.539 62.100 -0.260 0.000 1.074 757 T CB 0.095 68.889 68.868 -0.123 0.000 0.910 757 T HN 0.517 nan 8.240 nan 0.000 0.501 758 H N 1.401 120.465 119.070 -0.011 0.000 2.479 758 H HA 0.530 5.080 4.556 -0.010 0.000 0.335 758 H C 0.240 175.562 175.328 -0.010 0.000 1.142 758 H CA -0.766 55.278 56.048 -0.008 0.000 1.234 758 H CB 1.110 30.869 29.762 -0.005 0.000 1.503 758 H HN 0.600 nan 8.280 nan 0.000 0.510 759 E N 0.923 121.176 120.200 0.088 0.000 2.320 759 E HA 0.610 4.954 4.350 -0.010 0.000 0.264 759 E C -1.115 175.511 176.600 0.042 0.000 0.923 759 E CA -1.060 55.365 56.400 0.041 0.000 0.796 759 E CB 2.696 32.403 29.700 0.012 0.000 1.262 759 E HN 0.402 nan 8.360 nan 0.000 0.428 760 C N 0.917 120.230 119.300 0.022 0.000 2.782 760 C HA 0.442 4.895 4.460 -0.010 0.000 0.328 760 C C -1.456 173.541 174.990 0.012 0.000 1.145 760 C CA -0.258 58.775 59.018 0.025 0.000 1.358 760 C CB 1.211 28.971 27.740 0.035 0.000 1.841 760 C HN 0.948 nan 8.230 nan 0.000 0.477 761 E N 3.099 123.311 120.200 0.021 0.000 2.234 761 E HA 0.723 5.067 4.350 -0.010 0.000 0.266 761 E C -0.990 175.635 176.600 0.042 0.000 0.877 761 E CA -0.494 55.918 56.400 0.020 0.000 0.758 761 E CB 1.909 31.618 29.700 0.015 0.000 1.170 761 E HN 0.830 nan 8.360 nan 0.000 0.415 762 V N 0.648 120.599 119.914 0.061 0.000 2.914 762 V HA 0.626 4.740 4.120 -0.010 0.000 0.314 762 V C -0.170 175.976 176.094 0.087 0.000 1.084 762 V CA -0.766 61.587 62.300 0.088 0.000 0.963 762 V CB 1.698 33.606 31.823 0.142 0.000 1.025 762 V HN 0.618 nan 8.190 nan 0.000 0.432 763 T N 4.478 119.079 114.554 0.079 0.000 2.869 763 T HA 0.581 4.925 4.350 -0.010 0.000 0.295 763 T C 0.048 174.805 174.700 0.096 0.000 0.987 763 T CA -0.144 62.001 62.100 0.074 0.000 1.109 763 T CB 0.683 69.585 68.868 0.057 0.000 0.932 763 T HN 0.597 nan 8.240 nan 0.000 0.518 764 L N 2.041 123.323 121.223 0.098 0.000 2.421 764 L HA 0.647 4.980 4.340 -0.010 0.000 0.263 764 L C 1.001 177.937 176.870 0.110 0.000 1.122 764 L CA -0.466 54.449 54.840 0.126 0.000 0.804 764 L CB 0.493 42.633 42.059 0.134 0.000 1.150 764 L HN 0.807 nan 8.230 nan 0.000 0.457 765 S N 0.000 115.770 115.700 0.117 0.000 2.498 765 S HA 0.000 4.464 4.470 -0.010 0.000 0.327 765 S CA 0.000 58.236 58.200 0.061 0.000 1.107 765 S CB 0.000 63.218 63.200 0.029 0.000 0.593 765 S HN 0.000 nan 8.310 nan 0.000 0.517