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 3o8c_1_A DATA FIRST_RESID -15 DATA SEQUENCE GSVVIVGRII LSGSGSXXIT AYSQQTRGLL GCIITSLTGR DKNQVEGEVQ DATA SEQUENCE VVSTATQSFL ATCVNGVCWT VYHGAGSKTL AGPKGPITQM YTNVDQDLVG DATA SEQUENCE WQAPPGARSL TPCTCGSSDL YLVTRHADVI PVRRRGDSRG SLLSPRPVSY DATA SEQUENCE LKGSSGGPLL CPSGHAVGIF RAAVCTRGVA KAVDFVPVES METTMRSPVF DATA SEQUENCE TDNSSPPAVP QSFQVAHLHA PTGSGKSTKV PAAYAAQGYK VLVLNPSVAA DATA SEQUENCE TLGFGAYMSK AHGIDPNIRT GVRTITTGAP VTYSTYGKFL ADGGCSGGAY DATA SEQUENCE DIIICDECHS TDSTTILGIG TVLDQAETAG ARLVVLATAT PPGSVTVPHP DATA SEQUENCE NIEEVALSNT GEIPFYGKAI PIEAIRGGRH LIFCHSKKKC DELAAKLSGL DATA SEQUENCE GINAVAYYRG LDVSVIPTIG DVVVVATDAL MTGYTGDFDS VIDCNTCVTQ DATA SEQUENCE TVDFSLDPTF TIETTTVPQD AVSRSQRRGR TGRGRRGIYR FVTPGERPSG DATA SEQUENCE MFDSSVLCEC YDAGCAWYEL TPAETSVRLR AYLNTPGLPV CQDHLEFWES DATA SEQUENCE VFTGLTHIDA HFLSQTKQAG DNFPYLVAYQ ATVCARAQAP PPSWDQMWKC DATA SEQUENCE LIRLKPTLHG PTPLLYRLGA VQNEVTLTHP ITKYIMACMS ADLEVVT 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 -15 G HA2 0.000 nan 3.960 nan 0.000 0.244 -15 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 -15 G C 0.000 174.906 174.900 0.010 0.000 0.946 -15 G CA 0.000 45.105 45.100 0.008 0.000 0.502 -14 S N -0.883 114.811 115.700 -0.011 0.000 2.672 -14 S HA 0.633 5.103 4.470 0.000 0.000 0.276 -14 S C 0.655 175.228 174.600 -0.046 0.000 1.207 -14 S CA -0.596 57.587 58.200 -0.030 0.000 1.002 -14 S CB 1.722 64.876 63.200 -0.077 0.000 0.998 -14 S HN 0.685 nan 8.310 nan 0.000 0.542 -13 V N 2.315 122.188 119.914 -0.070 0.000 2.715 -13 V HA 0.226 4.346 4.120 0.000 0.000 0.299 -13 V C -0.146 175.809 176.094 -0.231 0.000 1.054 -13 V CA -0.041 62.179 62.300 -0.133 0.000 1.077 -13 V CB 0.891 32.622 31.823 -0.153 0.000 0.972 -13 V HN 0.607 nan 8.190 nan 0.000 0.484 -12 V N 5.851 125.640 119.914 -0.207 0.000 2.588 -12 V HA 0.447 4.567 4.120 0.000 0.000 0.304 -12 V C -0.073 175.896 176.094 -0.209 0.000 1.042 -12 V CA -0.645 61.538 62.300 -0.195 0.000 0.877 -12 V CB 1.959 33.704 31.823 -0.130 0.000 0.996 -12 V HN 0.647 nan 8.190 nan 0.000 0.425 -11 I N 4.660 125.108 120.570 -0.202 0.000 2.517 -11 I HA 0.106 4.276 4.170 0.000 0.000 0.285 -11 I C 0.928 176.968 176.117 -0.127 0.000 1.106 -11 I CA 0.270 61.467 61.300 -0.172 0.000 1.402 -11 I CB 1.289 39.197 38.000 -0.154 0.000 1.399 -11 I HN 0.647 nan 8.210 nan 0.000 0.535 -10 V N 2.600 122.444 119.914 -0.117 0.000 3.432 -10 V HA 0.689 4.809 4.120 0.000 0.000 0.298 -10 V C 0.457 176.513 176.094 -0.063 0.000 1.464 -10 V CA 0.333 62.583 62.300 -0.083 0.000 1.046 -10 V CB -0.117 31.658 31.823 -0.079 0.000 0.887 -10 V HN 0.880 nan 8.190 nan 0.000 0.441 -9 G N 0.800 109.558 108.800 -0.070 0.000 2.340 -9 G HA2 0.625 4.586 3.960 0.000 0.000 0.299 -9 G HA3 0.625 4.586 3.960 0.000 0.000 0.299 -9 G C -1.416 173.448 174.900 -0.061 0.000 1.291 -9 G CA -0.537 44.533 45.100 -0.051 0.000 0.841 -9 G HN 0.711 nan 8.290 nan 0.000 0.500 -8 R N -1.503 118.964 120.500 -0.056 0.000 2.764 -8 R HA 0.761 5.101 4.340 0.000 0.000 0.270 -8 R C -1.554 174.690 176.300 -0.094 0.000 1.014 -8 R CA -1.024 55.032 56.100 -0.073 0.000 0.904 -8 R CB 1.568 31.824 30.300 -0.074 0.000 1.236 -8 R HN 0.400 nan 8.270 nan 0.000 0.466 -7 I N 2.634 123.137 120.570 -0.112 0.000 2.382 -7 I HA 0.330 4.501 4.170 0.000 0.000 0.286 -7 I C -0.300 175.682 176.117 -0.225 0.000 1.002 -7 I CA -1.054 60.155 61.300 -0.152 0.000 1.135 -7 I CB 1.511 39.456 38.000 -0.092 0.000 1.288 -7 I HN 0.569 nan 8.210 nan 0.000 0.448 -6 I N 6.901 127.208 120.570 -0.440 0.000 2.312 -6 I HA 0.319 4.489 4.170 0.000 0.000 0.291 -6 I C 0.310 176.208 176.117 -0.366 0.000 1.031 -6 I CA -0.430 60.570 61.300 -0.500 0.000 1.293 -6 I CB 0.926 38.351 38.000 -0.958 0.000 1.403 -6 I HN 0.286 nan 8.210 nan 0.000 0.484 -5 L N 5.290 126.405 121.223 -0.179 0.000 2.357 -5 L HA 0.314 4.654 4.340 0.000 0.000 0.273 -5 L C 0.938 177.777 176.870 -0.052 0.000 1.080 -5 L CA -0.630 54.153 54.840 -0.095 0.000 0.803 -5 L CB 1.278 43.301 42.059 -0.059 0.000 1.174 -5 L HN 0.685 nan 8.230 nan 0.000 0.443 -4 S N 0.618 116.303 115.700 -0.024 0.000 2.558 -4 S HA 0.082 4.553 4.470 0.000 0.000 0.288 -4 S C 0.983 175.574 174.600 -0.015 0.000 1.318 -4 S CA -0.187 58.012 58.200 -0.002 0.000 1.056 -4 S CB 1.227 64.421 63.200 -0.010 0.000 0.853 -4 S HN 0.837 nan 8.310 nan 0.000 0.505 -3 G N 0.452 109.251 108.800 -0.002 0.000 3.088 -3 G HA2 0.371 4.331 3.960 0.000 0.000 0.217 -3 G HA3 0.371 4.331 3.960 0.000 0.000 0.217 -3 G C 0.205 175.098 174.900 -0.011 0.000 1.159 -3 G CA 0.267 45.364 45.100 -0.004 0.000 0.760 -3 G HN 1.030 nan 8.290 nan 0.000 0.550 -2 S N -1.876 113.813 115.700 -0.018 0.000 2.543 -2 S HA 0.577 5.047 4.470 0.000 0.000 0.274 -2 S C 0.235 174.814 174.600 -0.035 0.000 1.149 -2 S CA 0.814 58.999 58.200 -0.024 0.000 0.866 -2 S CB 0.874 64.067 63.200 -0.012 0.000 1.111 -2 S HN 1.731 nan 8.310 nan 0.000 0.457 -1 G N 2.963 111.737 108.800 -0.044 0.000 2.539 -1 G HA2 -0.178 3.782 3.960 0.000 0.000 0.256 -1 G HA3 -0.178 3.782 3.960 0.000 0.000 0.256 -1 G C 0.378 175.229 174.900 -0.082 0.000 1.233 -1 G CA 0.390 45.459 45.100 -0.052 0.000 0.936 -1 G HN 2.256 nan 8.290 nan 0.000 0.571 4 T N 2.279 116.795 114.554 -0.063 0.000 2.838 4 T HA 0.995 5.346 4.350 0.000 0.000 0.292 4 T C -0.839 173.867 174.700 0.011 0.000 1.113 4 T CA -0.675 61.419 62.100 -0.010 0.000 1.008 4 T CB 2.703 71.582 68.868 0.019 0.000 1.259 4 T HN 0.990 nan 8.240 nan 0.000 0.520 5 A N 0.760 123.608 122.820 0.047 0.000 2.604 5 A HA 0.838 5.158 4.320 0.000 0.000 0.295 5 A C -1.767 175.886 177.584 0.114 0.000 1.067 5 A CA -1.095 50.951 52.037 0.015 0.000 0.683 5 A CB 1.142 20.128 19.000 -0.023 0.000 1.281 5 A HN 1.743 nan 8.150 nan 0.000 0.407 6 Y N -0.614 119.688 120.300 0.004 0.000 2.597 6 Y HA 0.811 5.361 4.550 0.000 0.000 0.340 6 Y C -0.116 175.789 175.900 0.009 0.000 1.097 6 Y CA -0.626 57.479 58.100 0.009 0.000 1.037 6 Y CB 1.109 39.572 38.460 0.005 0.000 1.305 6 Y HN 1.074 nan 8.280 nan 0.000 0.463 7 S N 1.453 117.261 115.700 0.179 0.000 2.565 7 S HA 0.637 5.108 4.470 0.000 0.000 0.290 7 S C -1.017 173.671 174.600 0.147 0.000 1.150 7 S CA -0.784 57.463 58.200 0.080 0.000 1.058 7 S CB 1.572 64.816 63.200 0.074 0.000 1.032 7 S HN 0.756 nan 8.310 nan 0.000 0.510 8 Q N 1.281 121.117 119.800 0.061 0.000 2.321 8 Q HA 0.328 4.668 4.340 0.000 0.000 0.270 8 Q C -1.184 174.833 176.000 0.029 0.000 1.032 8 Q CA -0.365 55.483 55.803 0.075 0.000 0.784 8 Q CB 2.333 31.110 28.738 0.065 0.000 1.264 8 Q HN 0.816 nan 8.270 nan 0.000 0.448 9 Q N 1.421 121.240 119.800 0.031 0.000 2.303 9 Q HA 0.234 4.575 4.340 0.000 0.000 0.257 9 Q C 0.116 176.118 176.000 0.003 0.000 0.941 9 Q CA -0.070 55.739 55.803 0.011 0.000 0.931 9 Q CB 0.908 29.656 28.738 0.017 0.000 1.215 9 Q HN 0.787 nan 8.270 nan 0.000 0.437 10 T N 1.151 115.698 114.554 -0.012 0.000 3.054 10 T HA 0.279 4.629 4.350 0.000 0.000 0.255 10 T C 0.296 174.983 174.700 -0.021 0.000 1.035 10 T CA -0.333 61.758 62.100 -0.016 0.000 0.941 10 T CB 0.234 69.087 68.868 -0.026 0.000 1.026 10 T HN 0.587 nan 8.240 nan 0.000 0.533 11 R N -0.256 120.231 120.500 -0.022 0.000 2.579 11 R HA 0.538 4.878 4.340 0.000 0.000 0.260 11 R C -0.370 175.918 176.300 -0.019 0.000 1.103 11 R CA -0.575 55.511 56.100 -0.024 0.000 0.942 11 R CB 1.065 31.342 30.300 -0.037 0.000 1.251 11 R HN 0.209 nan 8.270 nan 0.000 0.450 12 G N 1.645 110.437 108.800 -0.014 0.000 2.543 12 G HA2 0.233 4.193 3.960 0.000 0.000 0.290 12 G HA3 0.233 4.193 3.960 0.000 0.000 0.290 12 G C 0.473 175.366 174.900 -0.011 0.000 1.310 12 G CA -0.625 44.469 45.100 -0.009 0.000 1.025 12 G HN 0.511 nan 8.290 nan 0.000 0.502 13 L N -0.385 120.835 121.223 -0.005 0.000 2.079 13 L HA -0.067 4.273 4.340 0.000 0.000 0.210 13 L C 2.451 179.318 176.870 -0.006 0.000 1.081 13 L CA 1.659 56.497 54.840 -0.004 0.000 0.752 13 L CB -0.684 41.377 42.059 0.003 0.000 0.896 13 L HN 0.448 nan 8.230 nan 0.000 0.433 14 L N -0.112 121.108 121.223 -0.005 0.000 1.976 14 L HA -0.001 4.339 4.340 0.000 0.000 0.209 14 L C 2.427 179.291 176.870 -0.010 0.000 1.071 14 L CA 2.216 57.053 54.840 -0.005 0.000 0.746 14 L CB -1.668 40.389 42.059 -0.003 0.000 0.890 14 L HN 0.313 nan 8.230 nan 0.000 0.432 15 G N -1.325 107.467 108.800 -0.013 0.000 2.442 15 G HA2 -0.355 3.605 3.960 0.000 0.000 0.219 15 G HA3 -0.355 3.605 3.960 0.000 0.000 0.219 15 G C 1.859 176.744 174.900 -0.026 0.000 1.141 15 G CA 1.076 46.164 45.100 -0.020 0.000 0.763 15 G HN 0.591 nan 8.290 nan 0.000 0.554 16 C N 0.438 119.721 119.300 -0.028 0.000 2.413 16 C HA -0.041 4.419 4.460 0.000 0.000 0.278 16 C C 2.912 177.885 174.990 -0.029 0.000 1.224 16 C CA 1.100 60.096 59.018 -0.036 0.000 1.732 16 C CB -1.081 26.639 27.740 -0.034 0.000 2.050 16 C HN 0.483 nan 8.230 nan 0.000 0.463 17 I N 0.554 121.114 120.570 -0.017 0.000 2.226 17 I HA -0.201 3.969 4.170 0.000 0.000 0.245 17 I C 2.365 178.476 176.117 -0.010 0.000 1.100 17 I CA 1.809 63.103 61.300 -0.009 0.000 1.374 17 I CB -0.453 37.546 38.000 -0.001 0.000 1.057 17 I HN 0.377 nan 8.210 nan 0.000 0.413 18 I N 0.344 120.907 120.570 -0.012 0.000 2.179 18 I HA -0.275 3.895 4.170 0.000 0.000 0.242 18 I C 2.525 178.631 176.117 -0.019 0.000 1.088 18 I CA 1.685 62.978 61.300 -0.011 0.000 1.357 18 I CB -0.606 37.388 38.000 -0.012 0.000 1.051 18 I HN 0.223 nan 8.210 nan 0.000 0.409 19 T N -0.575 113.961 114.554 -0.029 0.000 2.867 19 T HA -0.175 4.175 4.350 0.000 0.000 0.268 19 T C 2.079 176.752 174.700 -0.045 0.000 1.057 19 T CA 1.635 63.710 62.100 -0.041 0.000 1.136 19 T CB -0.220 68.615 68.868 -0.054 0.000 0.874 19 T HN 0.301 nan 8.240 nan 0.000 0.466 20 S N 0.764 116.440 115.700 -0.040 0.000 2.368 20 S HA -0.004 4.466 4.470 0.000 0.000 0.225 20 S C 1.972 176.559 174.600 -0.021 0.000 1.030 20 S CA 0.832 59.011 58.200 -0.036 0.000 0.999 20 S CB -0.433 62.752 63.200 -0.025 0.000 0.844 20 S HN 0.444 nan 8.310 nan 0.000 0.459 21 L N 0.926 122.142 121.223 -0.011 0.000 2.072 21 L HA -0.030 4.311 4.340 0.000 0.000 0.205 21 L C 3.013 179.881 176.870 -0.003 0.000 1.079 21 L CA 1.728 56.568 54.840 -0.000 0.000 0.752 21 L CB -1.455 40.608 42.059 0.007 0.000 0.906 21 L HN 0.502 nan 8.230 nan 0.000 0.436 22 T N -3.114 111.434 114.554 -0.010 0.000 2.896 22 T HA 0.059 4.409 4.350 0.000 0.000 0.263 22 T C 1.624 176.312 174.700 -0.020 0.000 1.050 22 T CA 0.840 62.933 62.100 -0.012 0.000 1.140 22 T CB -0.030 68.829 68.868 -0.014 0.000 0.877 22 T HN 0.496 nan 8.240 nan 0.000 0.457 23 G N 1.449 110.229 108.800 -0.033 0.000 2.162 23 G HA2 -0.284 3.676 3.960 0.000 0.000 0.260 23 G HA3 -0.284 3.676 3.960 0.000 0.000 0.260 23 G C 0.118 174.984 174.900 -0.056 0.000 0.976 23 G CA 0.240 45.312 45.100 -0.047 0.000 0.655 23 G HN 0.869 nan 8.290 nan 0.000 0.533 24 R N 0.448 120.919 120.500 -0.048 0.000 2.343 24 R HA 0.540 4.880 4.340 0.000 0.000 0.320 24 R C -1.775 174.493 176.300 -0.054 0.000 0.956 24 R CA -0.619 55.452 56.100 -0.048 0.000 0.836 24 R CB 0.963 31.243 30.300 -0.033 0.000 1.151 24 R HN 0.098 nan 8.270 nan 0.000 0.450 25 D N 3.447 123.807 120.400 -0.065 0.000 2.542 25 D HA 0.195 4.835 4.640 0.000 0.000 0.252 25 D C -0.309 175.955 176.300 -0.059 0.000 1.222 25 D CA -0.494 53.466 54.000 -0.067 0.000 0.895 25 D CB 1.626 42.372 40.800 -0.091 0.000 1.207 25 D HN 0.502 nan 8.370 nan 0.000 0.558 26 K N 1.760 122.132 120.400 -0.046 0.000 2.361 26 K HA 0.142 4.462 4.320 0.000 0.000 0.194 26 K C 0.195 176.773 176.600 -0.037 0.000 1.032 26 K CA -0.400 55.864 56.287 -0.038 0.000 1.048 26 K CB 0.128 32.610 32.500 -0.029 0.000 0.842 26 K HN 0.313 nan 8.250 nan 0.000 0.526 27 N N 2.834 121.509 118.700 -0.041 0.000 2.293 27 N HA -0.117 4.623 4.740 0.000 0.000 0.253 27 N C -0.017 175.470 175.510 -0.038 0.000 1.248 27 N CA 0.470 53.498 53.050 -0.037 0.000 0.845 27 N CB 0.288 38.749 38.487 -0.043 0.000 1.073 27 N HN 0.068 nan 8.380 nan 0.000 0.464 28 Q N 1.093 120.875 119.800 -0.030 0.000 2.330 28 Q HA 0.232 4.572 4.340 0.000 0.000 0.279 28 Q C -0.692 175.288 176.000 -0.034 0.000 1.024 28 Q CA -0.305 55.481 55.803 -0.028 0.000 0.900 28 Q CB 0.675 29.401 28.738 -0.019 0.000 1.221 28 Q HN 0.433 nan 8.270 nan 0.000 0.396 29 V N 2.245 122.137 119.914 -0.037 0.000 2.427 29 V HA 0.651 4.771 4.120 0.000 0.000 0.286 29 V C -0.875 175.200 176.094 -0.030 0.000 1.034 29 V CA -0.232 62.043 62.300 -0.041 0.000 0.893 29 V CB 1.523 33.314 31.823 -0.054 0.000 0.982 29 V HN 0.973 nan 8.190 nan 0.000 0.452 30 E N 3.526 123.708 120.200 -0.031 0.000 2.410 30 E HA 0.807 5.157 4.350 0.000 0.000 0.269 30 E C 0.007 176.588 176.600 -0.030 0.000 0.937 30 E CA -0.384 56.001 56.400 -0.024 0.000 0.793 30 E CB 1.965 31.653 29.700 -0.019 0.000 1.314 30 E HN 1.581 nan 8.360 nan 0.000 0.447 31 G N 0.661 109.445 108.800 -0.027 0.000 2.814 31 G HA2 -0.258 3.702 3.960 0.000 0.000 0.677 31 G HA3 -0.258 3.702 3.960 0.000 0.000 0.677 31 G C -0.052 174.837 174.900 -0.018 0.000 1.429 31 G CA 0.051 45.130 45.100 -0.035 0.000 0.868 31 G HN 0.579 nan 8.290 nan 0.000 0.553 32 E N -1.421 118.771 120.200 -0.013 0.000 2.307 32 E HA 0.283 4.633 4.350 0.000 0.000 0.195 32 E C 0.987 177.601 176.600 0.023 0.000 0.975 32 E CA 0.780 57.190 56.400 0.015 0.000 0.878 32 E CB 0.641 30.357 29.700 0.026 0.000 0.845 32 E HN 0.487 nan 8.360 nan 0.000 0.488 33 V N 2.794 122.706 119.914 -0.003 0.000 2.347 33 V HA 0.240 4.361 4.120 0.000 0.000 0.280 33 V C -0.403 175.677 176.094 -0.023 0.000 1.021 33 V CA -0.823 61.479 62.300 0.003 0.000 0.847 33 V CB 1.272 33.092 31.823 -0.006 0.000 0.990 33 V HN 0.062 nan 8.190 nan 0.000 0.444 34 Q N 3.172 122.963 119.800 -0.014 0.000 2.245 34 Q HA 0.567 4.907 4.340 0.000 0.000 0.256 34 Q C -0.587 175.371 176.000 -0.070 0.000 0.942 34 Q CA -0.685 55.088 55.803 -0.051 0.000 0.896 34 Q CB 2.566 31.267 28.738 -0.061 0.000 1.272 34 Q HN 0.508 nan 8.270 nan 0.000 0.442 35 V N 2.672 122.529 119.914 -0.095 0.000 2.406 35 V HA 0.377 4.497 4.120 0.000 0.000 0.272 35 V C 0.249 176.230 176.094 -0.189 0.000 1.043 35 V CA -0.567 61.657 62.300 -0.126 0.000 0.915 35 V CB 1.131 32.894 31.823 -0.100 0.000 0.988 35 V HN 0.583 nan 8.190 nan 0.000 0.466 36 V N 2.406 122.134 119.914 -0.310 0.000 2.769 36 V HA 0.943 5.063 4.120 0.000 0.000 0.312 36 V C -0.292 175.490 176.094 -0.521 0.000 1.061 36 V CA -0.324 61.720 62.300 -0.425 0.000 0.931 36 V CB 2.158 33.672 31.823 -0.516 0.000 1.010 36 V HN 0.718 nan 8.190 nan 0.000 0.433 37 S N 1.494 116.984 115.700 -0.350 0.000 2.564 37 S HA 0.829 5.299 4.470 0.000 0.000 0.274 37 S C 0.039 174.571 174.600 -0.114 0.000 1.124 37 S CA -0.135 57.936 58.200 -0.216 0.000 0.869 37 S CB 2.266 65.402 63.200 -0.106 0.000 1.105 37 S HN 1.301 nan 8.310 nan 0.000 0.472 38 T N -0.705 113.854 114.554 0.008 0.000 2.850 38 T HA 0.748 5.098 4.350 0.000 0.000 0.269 38 T C 1.429 176.147 174.700 0.030 0.000 1.075 38 T CA -0.025 62.099 62.100 0.040 0.000 0.987 38 T CB -0.064 68.867 68.868 0.106 0.000 1.889 38 T HN 0.547 nan 8.240 nan 0.000 0.584 39 A N 0.503 123.344 122.820 0.037 0.000 1.897 39 A HA 0.093 4.413 4.320 0.000 0.000 0.215 39 A C 2.450 180.058 177.584 0.040 0.000 1.181 39 A CA 1.969 54.024 52.037 0.030 0.000 0.620 39 A CB -1.482 17.535 19.000 0.027 0.000 0.821 39 A HN 0.991 nan 8.150 nan 0.000 0.443 40 T N -2.530 112.057 114.554 0.056 0.000 3.040 40 T HA 0.225 4.575 4.350 0.000 0.000 0.252 40 T C 0.669 175.418 174.700 0.082 0.000 1.064 40 T CA 0.432 62.568 62.100 0.059 0.000 1.110 40 T CB -0.161 68.737 68.868 0.050 0.000 0.921 40 T HN 0.695 nan 8.240 nan 0.000 0.480 41 Q N 0.139 120.013 119.800 0.123 0.000 2.456 41 Q HA 0.741 5.081 4.340 0.000 0.000 0.283 41 Q C -1.480 174.653 176.000 0.222 0.000 1.084 41 Q CA -1.062 54.848 55.803 0.178 0.000 0.801 41 Q CB 2.098 30.960 28.738 0.206 0.000 1.434 41 Q HN 0.042 nan 8.270 nan 0.000 0.419 42 S N 0.893 116.731 115.700 0.229 0.000 2.536 42 S HA 0.889 5.359 4.470 0.000 0.000 0.287 42 S C -1.369 173.394 174.600 0.272 0.000 1.101 42 S CA -0.429 57.840 58.200 0.115 0.000 0.950 42 S CB 0.709 63.919 63.200 0.018 0.000 1.056 42 S HN 0.601 nan 8.310 nan 0.000 0.481 43 F N 1.619 121.574 119.950 0.008 0.000 3.360 43 F HA 0.708 5.236 4.527 0.000 0.000 0.327 43 F C -1.852 173.960 175.800 0.019 0.000 1.186 43 F CA -1.333 56.680 58.000 0.021 0.000 0.903 43 F CB 0.457 39.483 39.000 0.043 0.000 1.533 43 F HN 0.425 nan 8.300 nan 0.000 0.515 44 L N 1.030 122.375 121.223 0.204 0.000 2.319 44 L HA 0.937 5.277 4.340 0.000 0.000 0.267 44 L C -0.679 176.290 176.870 0.165 0.000 1.011 44 L CA -1.263 53.631 54.840 0.090 0.000 0.818 44 L CB 1.865 43.991 42.059 0.111 0.000 1.316 44 L HN 0.963 nan 8.230 nan 0.000 0.432 45 A N 0.369 123.255 122.820 0.110 0.000 2.449 45 A HA 0.805 5.125 4.320 0.000 0.000 0.302 45 A C -0.875 176.805 177.584 0.160 0.000 1.048 45 A CA -0.411 51.740 52.037 0.191 0.000 0.708 45 A CB 1.857 20.980 19.000 0.204 0.000 1.274 45 A HN 0.573 nan 8.150 nan 0.000 0.410 46 T N 1.380 116.066 114.554 0.219 0.000 2.812 46 T HA 0.417 4.767 4.350 0.000 0.000 0.282 46 T C -0.536 174.317 174.700 0.256 0.000 0.990 46 T CA -0.181 62.037 62.100 0.196 0.000 0.960 46 T CB 0.615 69.597 68.868 0.189 0.000 0.948 46 T HN 0.712 nan 8.240 nan 0.000 0.438 47 C N 3.996 123.403 119.300 0.178 0.000 2.394 47 C HA 0.668 5.128 4.460 0.000 0.000 0.362 47 C C 0.330 175.454 174.990 0.223 0.000 1.268 47 C CA -0.761 58.359 59.018 0.171 0.000 1.828 47 C CB -1.032 26.759 27.740 0.085 0.000 2.442 47 C HN 0.650 nan 8.230 nan 0.000 0.549 48 V N 4.664 124.791 119.914 0.355 0.000 2.638 48 V HA 0.458 4.579 4.120 0.000 0.000 0.306 48 V C -0.245 176.047 176.094 0.329 0.000 1.052 48 V CA -0.589 61.906 62.300 0.325 0.000 0.885 48 V CB 1.734 33.749 31.823 0.320 0.000 0.999 48 V HN 0.900 nan 8.190 nan 0.000 0.424 49 N N 3.477 122.289 118.700 0.188 0.000 2.738 49 N HA -0.194 4.547 4.740 0.000 0.000 0.249 49 N C 1.157 176.738 175.510 0.118 0.000 1.047 49 N CA 1.671 54.810 53.050 0.149 0.000 0.707 49 N CB -1.089 37.505 38.487 0.177 0.000 0.937 49 N HN 1.657 nan 8.380 nan 0.000 0.545 50 G N -2.879 105.969 108.800 0.080 0.000 2.175 50 G HA2 -0.313 3.647 3.960 0.000 0.000 0.265 50 G HA3 -0.313 3.647 3.960 0.000 0.000 0.265 50 G C 0.009 174.902 174.900 -0.012 0.000 0.979 50 G CA 0.577 45.699 45.100 0.037 0.000 0.663 50 G HN 0.596 nan 8.290 nan 0.000 0.533 51 V N 0.092 119.965 119.914 -0.068 0.000 2.540 51 V HA 0.532 4.652 4.120 0.000 0.000 0.302 51 V C 0.620 176.465 176.094 -0.416 0.000 1.035 51 V CA -0.623 61.473 62.300 -0.340 0.000 0.873 51 V CB 1.814 33.195 31.823 -0.736 0.000 0.992 51 V HN 0.495 nan 8.190 nan 0.000 0.428 52 C N 6.696 125.848 119.300 -0.248 0.000 2.322 52 C HA 0.514 4.974 4.460 0.000 0.000 0.343 52 C C -0.357 174.626 174.990 -0.011 0.000 1.190 52 C CA -0.903 58.105 59.018 -0.017 0.000 1.704 52 C CB -1.395 26.437 27.740 0.153 0.000 2.293 52 C HN 0.819 nan 8.230 nan 0.000 0.523 53 W N 4.594 125.995 121.300 0.167 0.000 2.438 53 W HA 0.599 5.259 4.660 0.000 0.000 0.324 53 W C 0.678 177.282 176.519 0.141 0.000 1.119 53 W CA -0.211 57.195 57.345 0.102 0.000 1.221 53 W CB 1.447 30.939 29.460 0.054 0.000 1.253 53 W HN 0.637 nan 8.180 nan 0.000 0.555 54 T N 0.393 115.152 114.554 0.343 0.000 2.647 54 T HA 0.529 4.879 4.350 0.000 0.000 0.295 54 T C -1.014 173.774 174.700 0.147 0.000 1.126 54 T CA -0.705 61.571 62.100 0.293 0.000 1.040 54 T CB 0.498 69.637 68.868 0.452 0.000 1.472 54 T HN 0.350 nan 8.240 nan 0.000 0.500 55 V N 1.845 121.771 119.914 0.021 0.000 2.607 55 V HA 0.463 4.584 4.120 0.000 0.000 0.289 55 V C 1.062 177.044 176.094 -0.188 0.000 1.053 55 V CA -0.422 61.774 62.300 -0.173 0.000 0.996 55 V CB 0.607 32.104 31.823 -0.543 0.000 0.995 55 V HN 0.913 nan 8.190 nan 0.000 0.476 56 Y N 4.019 124.210 120.300 -0.181 0.000 2.181 56 Y HA -0.221 4.329 4.550 0.000 0.000 0.288 56 Y C 2.603 178.414 175.900 -0.148 0.000 1.146 56 Y CA 2.497 60.520 58.100 -0.128 0.000 1.164 56 Y CB -0.388 38.031 38.460 -0.068 0.000 0.982 56 Y HN 0.935 nan 8.280 nan 0.000 0.515 57 H N -2.463 116.518 119.070 -0.148 0.000 2.489 57 H HA 0.002 4.558 4.556 0.000 0.000 0.293 57 H C 1.999 177.106 175.328 -0.368 0.000 1.066 57 H CA 1.133 57.037 56.048 -0.240 0.000 1.305 57 H CB -0.492 29.185 29.762 -0.141 0.000 1.386 57 H HN 0.450 nan 8.280 nan 0.000 0.551 58 G N 0.413 108.738 108.800 -0.792 0.000 2.497 58 G HA2 0.104 4.064 3.960 0.000 0.000 0.210 58 G HA3 0.104 4.064 3.960 0.000 0.000 0.210 58 G C 1.839 176.460 174.900 -0.465 0.000 1.177 58 G CA 0.588 45.075 45.100 -1.022 0.000 0.822 58 G HN 0.546 nan 8.290 nan 0.000 0.550 59 A N -0.167 122.540 122.820 -0.190 0.000 2.081 59 A HA 0.499 4.819 4.320 0.000 0.000 0.214 59 A C 1.936 179.495 177.584 -0.042 0.000 1.158 59 A CA 1.479 53.623 52.037 0.179 0.000 0.724 59 A CB -0.724 18.502 19.000 0.376 0.000 0.826 59 A HN 1.670 nan 8.150 nan 0.000 0.463 60 G N -0.634 107.926 108.800 -0.401 0.000 2.582 60 G HA2 -0.283 3.678 3.960 0.000 0.000 0.288 60 G HA3 -0.283 3.678 3.960 0.000 0.000 0.288 60 G C 0.697 175.490 174.900 -0.178 0.000 1.247 60 G CA 0.403 45.126 45.100 -0.630 0.000 0.972 60 G HN 0.769 nan 8.290 nan 0.000 0.557 61 S N 1.169 116.884 115.700 0.025 0.000 2.582 61 S HA 0.238 4.708 4.470 0.000 0.000 0.234 61 S C 0.859 175.529 174.600 0.117 0.000 0.961 61 S CA 0.245 58.516 58.200 0.118 0.000 0.953 61 S CB 0.031 63.311 63.200 0.132 0.000 0.800 61 S HN 0.533 nan 8.310 nan 0.000 0.471 62 K N 2.799 123.292 120.400 0.155 0.000 2.414 62 K HA 0.123 4.444 4.320 0.000 0.000 0.272 62 K C 0.836 177.664 176.600 0.380 0.000 0.993 62 K CA 0.040 56.454 56.287 0.212 0.000 0.964 62 K CB 0.322 32.940 32.500 0.197 0.000 0.925 62 K HN 0.288 nan 8.250 nan 0.000 0.487 63 T N -0.380 114.330 114.554 0.260 0.000 2.828 63 T HA 0.276 4.626 4.350 0.000 0.000 0.290 63 T C -0.180 174.528 174.700 0.013 0.000 1.019 63 T CA -0.936 61.320 62.100 0.260 0.000 1.031 63 T CB 0.650 69.574 68.868 0.093 0.000 1.001 63 T HN 0.291 nan 8.240 nan 0.000 0.531 64 L N 1.576 122.569 121.223 -0.385 0.000 2.307 64 L HA 0.679 5.019 4.340 0.000 0.000 0.284 64 L C 0.242 176.875 176.870 -0.395 0.000 1.023 64 L CA -0.747 53.634 54.840 -0.765 0.000 0.810 64 L CB 0.738 41.846 42.059 -1.584 0.000 1.231 64 L HN 0.998 nan 8.230 nan 0.000 0.423 65 A N 3.750 126.387 122.820 -0.304 0.000 2.522 65 A HA 0.556 4.876 4.320 0.000 0.000 0.256 65 A C 0.416 177.885 177.584 -0.192 0.000 1.086 65 A CA 0.572 52.494 52.037 -0.193 0.000 0.763 65 A CB -0.807 18.102 19.000 -0.152 0.000 1.024 65 A HN 0.962 nan 8.150 nan 0.000 0.502 66 G N 1.796 110.512 108.800 -0.139 0.000 2.714 66 G HA2 0.644 4.604 3.960 0.000 0.000 0.292 66 G HA3 0.644 4.604 3.960 0.000 0.000 0.292 66 G C -1.828 173.025 174.900 -0.077 0.000 1.308 66 G CA -1.129 43.902 45.100 -0.115 0.000 0.964 66 G HN 0.343 nan 8.290 nan 0.000 0.484 67 P HA -0.050 nan 4.420 nan 0.000 0.219 67 P C 0.790 178.068 177.300 -0.037 0.000 1.146 67 P CA 1.167 64.239 63.100 -0.047 0.000 0.808 67 P CB 0.431 32.106 31.700 -0.040 0.000 0.779 68 K N -0.618 119.760 120.400 -0.035 0.000 2.537 68 K HA 0.462 4.782 4.320 0.000 0.000 0.206 68 K C 0.360 176.945 176.600 -0.025 0.000 1.041 68 K CA 0.165 56.437 56.287 -0.026 0.000 1.090 68 K CB 0.527 33.016 32.500 -0.019 0.000 0.833 68 K HN 0.210 nan 8.250 nan 0.000 0.493 69 G N 0.421 109.201 108.800 -0.035 0.000 2.384 69 G HA2 -0.116 3.844 3.960 0.000 0.000 0.668 69 G HA3 -0.116 3.844 3.960 0.000 0.000 0.668 69 G C -2.939 171.934 174.900 -0.045 0.000 1.280 69 G CA -1.330 43.750 45.100 -0.033 0.000 0.992 69 G HN -0.107 nan 8.290 nan 0.000 0.512 70 P HA 0.390 nan 4.420 nan 0.000 0.264 70 P C -0.042 177.241 177.300 -0.029 0.000 1.193 70 P CA 0.113 63.187 63.100 -0.044 0.000 0.763 70 P CB 0.357 32.048 31.700 -0.016 0.000 0.810 71 I N 2.845 123.381 120.570 -0.056 0.000 2.304 71 I HA 0.166 4.336 4.170 0.000 0.000 0.291 71 I C 1.163 177.368 176.117 0.146 0.000 1.018 71 I CA -0.462 60.841 61.300 0.005 0.000 1.260 71 I CB 0.971 38.936 38.000 -0.058 0.000 1.390 71 I HN 0.311 nan 8.210 nan 0.000 0.475 72 T N 2.657 117.298 114.554 0.146 0.000 2.898 72 T HA 0.214 4.564 4.350 0.000 0.000 0.301 72 T C 0.068 174.885 174.700 0.194 0.000 1.049 72 T CA -0.755 61.447 62.100 0.170 0.000 1.095 72 T CB 0.756 69.667 68.868 0.071 0.000 0.976 72 T HN 0.523 nan 8.240 nan 0.000 0.539 73 Q N 1.714 121.550 119.800 0.059 0.000 2.337 73 Q HA 0.177 4.517 4.340 0.000 0.000 0.270 73 Q C 1.053 176.889 176.000 -0.272 0.000 1.002 73 Q CA -0.261 55.387 55.803 -0.258 0.000 0.888 73 Q CB 0.971 29.463 28.738 -0.410 0.000 1.222 73 Q HN 0.795 nan 8.270 nan 0.000 0.400 74 M N 2.292 121.655 119.600 -0.394 0.000 2.334 74 M HA 0.003 4.483 4.480 0.000 0.000 0.266 74 M C -0.775 174.986 176.300 -0.898 0.000 1.082 74 M CA 1.234 56.139 55.300 -0.659 0.000 1.141 74 M CB 0.640 32.774 32.600 -0.777 0.000 1.380 74 M HN 0.558 nan 8.290 nan 0.000 0.440 75 Y N -1.031 119.118 120.300 -0.253 0.000 2.442 75 Y HA 0.433 4.983 4.550 0.000 0.000 0.344 75 Y C -0.755 175.052 175.900 -0.155 0.000 0.976 75 Y CA -1.162 56.845 58.100 -0.155 0.000 1.040 75 Y CB 1.957 40.409 38.460 -0.014 0.000 1.228 75 Y HN -0.254 nan 8.280 nan 0.000 0.451 76 T N 2.604 117.172 114.554 0.023 0.000 3.038 76 T HA 0.179 4.529 4.350 0.000 0.000 0.344 76 T C -1.102 173.556 174.700 -0.070 0.000 1.054 76 T CA -0.793 61.284 62.100 -0.038 0.000 1.092 76 T CB 0.115 68.939 68.868 -0.074 0.000 1.031 76 T HN 0.486 nan 8.240 nan 0.000 0.482 77 N N 3.383 122.048 118.700 -0.059 0.000 2.800 77 N HA 0.210 4.950 4.740 0.000 0.000 0.240 77 N C 1.052 176.453 175.510 -0.182 0.000 1.096 77 N CA -0.471 52.518 53.050 -0.100 0.000 0.877 77 N CB 0.921 39.380 38.487 -0.047 0.000 1.138 77 N HN 0.242 nan 8.380 nan 0.000 0.509 78 V N 1.952 121.670 119.914 -0.327 0.000 2.407 78 V HA -0.197 3.924 4.120 0.000 0.000 0.248 78 V C 1.441 177.411 176.094 -0.208 0.000 1.055 78 V CA 1.524 63.555 62.300 -0.449 0.000 1.049 78 V CB -0.256 31.205 31.823 -0.603 0.000 0.662 78 V HN 0.523 nan 8.190 nan 0.000 0.455 79 D N 0.193 120.499 120.400 -0.157 0.000 2.133 79 D HA -0.213 4.427 4.640 0.000 0.000 0.195 79 D C 2.128 178.376 176.300 -0.086 0.000 0.997 79 D CA 1.474 55.412 54.000 -0.104 0.000 0.840 79 D CB -0.212 40.532 40.800 -0.093 0.000 0.947 79 D HN 0.550 nan 8.370 nan 0.000 0.452 80 Q N -0.193 119.554 119.800 -0.089 0.000 2.319 80 Q HA 0.044 4.384 4.340 0.000 0.000 0.202 80 Q C -0.330 175.637 176.000 -0.055 0.000 0.896 80 Q CA -0.053 55.701 55.803 -0.081 0.000 0.942 80 Q CB 0.726 29.405 28.738 -0.100 0.000 1.083 80 Q HN 0.022 nan 8.270 nan 0.000 0.510 81 D N 0.540 120.922 120.400 -0.030 0.000 2.723 81 D HA -0.185 4.455 4.640 0.000 0.000 0.236 81 D C -1.515 174.810 176.300 0.043 0.000 1.138 81 D CA 0.489 54.516 54.000 0.045 0.000 0.676 81 D CB -0.884 39.954 40.800 0.064 0.000 1.069 81 D HN 0.194 nan 8.370 nan 0.000 0.430 82 L N 0.136 121.378 121.223 0.031 0.000 2.409 82 L HA 0.720 5.060 4.340 0.000 0.000 0.272 82 L C -0.760 176.181 176.870 0.118 0.000 0.980 82 L CA -0.828 54.049 54.840 0.062 0.000 0.826 82 L CB 2.020 44.069 42.059 -0.017 0.000 1.268 82 L HN 0.043 nan 8.230 nan 0.000 0.407 83 V N 1.316 121.309 119.914 0.132 0.000 3.001 83 V HA 1.101 5.221 4.120 0.000 0.000 0.314 83 V C -0.342 175.723 176.094 -0.048 0.000 1.099 83 V CA -0.005 62.292 62.300 -0.004 0.000 0.989 83 V CB 1.636 33.333 31.823 -0.209 0.000 1.040 83 V HN 1.015 nan 8.190 nan 0.000 0.434 84 G N 1.874 110.477 108.800 -0.327 0.000 2.731 84 G HA2 0.592 4.552 3.960 0.000 0.000 0.298 84 G HA3 0.592 4.552 3.960 0.000 0.000 0.298 84 G C -1.533 173.014 174.900 -0.588 0.000 1.424 84 G CA -0.571 44.187 45.100 -0.571 0.000 1.029 84 G HN 0.742 nan 8.290 nan 0.000 0.518 85 W N 0.857 122.012 121.300 -0.242 0.000 2.570 85 W HA 0.378 5.038 4.660 0.000 0.000 0.337 85 W C 0.206 176.585 176.519 -0.233 0.000 1.067 85 W CA -0.804 56.423 57.345 -0.197 0.000 1.229 85 W CB 1.551 30.935 29.460 -0.127 0.000 1.355 85 W HN 0.416 nan 8.180 nan 0.000 0.555 86 Q N 1.423 121.237 119.800 0.024 0.000 2.247 86 Q HA 0.224 4.564 4.340 0.000 0.000 0.288 86 Q C 0.418 176.422 176.000 0.006 0.000 1.079 86 Q CA 0.015 55.805 55.803 -0.021 0.000 0.932 86 Q CB 0.665 29.386 28.738 -0.028 0.000 1.133 86 Q HN 0.389 nan 8.270 nan 0.000 0.377 87 A N 5.774 128.583 122.820 -0.017 0.000 2.520 87 A HA 0.235 4.555 4.320 0.000 0.000 0.245 87 A C -2.005 175.569 177.584 -0.016 0.000 1.072 87 A CA -1.075 50.955 52.037 -0.011 0.000 0.761 87 A CB -0.245 18.750 19.000 -0.010 0.000 1.004 87 A HN 0.478 nan 8.150 nan 0.000 0.499 88 P HA 0.230 nan 4.420 nan 0.000 0.271 88 P C -2.506 174.779 177.300 -0.026 0.000 1.244 88 P CA -0.973 62.104 63.100 -0.038 0.000 0.793 88 P CB -0.286 31.377 31.700 -0.062 0.000 0.984 89 P HA 0.091 nan 4.420 nan 0.000 0.271 89 P C 0.744 178.033 177.300 -0.019 0.000 1.220 89 P CA 0.665 63.754 63.100 -0.017 0.000 0.768 89 P CB 0.414 32.104 31.700 -0.016 0.000 0.848 90 G N 2.066 110.859 108.800 -0.012 0.000 2.284 90 G HA2 -0.165 3.795 3.960 0.000 0.000 0.216 90 G HA3 -0.165 3.795 3.960 0.000 0.000 0.216 90 G C 0.355 175.249 174.900 -0.011 0.000 1.009 90 G CA 0.007 45.100 45.100 -0.012 0.000 0.625 90 G HN 0.855 nan 8.290 nan 0.000 0.501 91 A N 1.302 124.115 122.820 -0.012 0.000 2.488 91 A HA 0.664 4.984 4.320 0.000 0.000 0.249 91 A C 0.797 178.384 177.584 0.005 0.000 1.083 91 A CA 0.505 52.538 52.037 -0.007 0.000 0.768 91 A CB 0.111 19.106 19.000 -0.008 0.000 1.017 91 A HN 0.603 nan 8.150 nan 0.000 0.496 92 R N 1.464 121.969 120.500 0.009 0.000 2.549 92 R HA 0.605 4.946 4.340 0.000 0.000 0.267 92 R C -0.454 175.865 176.300 0.033 0.000 1.045 92 R CA -0.415 55.696 56.100 0.018 0.000 1.115 92 R CB 1.290 31.599 30.300 0.014 0.000 1.121 92 R HN 0.654 nan 8.270 nan 0.000 0.543 93 S N 0.994 116.720 115.700 0.043 0.000 2.503 93 S HA 0.397 4.867 4.470 0.000 0.000 0.301 93 S C -0.285 174.355 174.600 0.067 0.000 1.087 93 S CA -0.819 57.420 58.200 0.066 0.000 1.042 93 S CB 1.126 64.371 63.200 0.075 0.000 1.043 93 S HN 0.297 nan 8.310 nan 0.000 0.489 94 L N 2.152 123.425 121.223 0.083 0.000 2.426 94 L HA 0.281 4.622 4.340 0.000 0.000 0.271 94 L C 1.114 178.030 176.870 0.078 0.000 1.169 94 L CA -0.226 54.663 54.840 0.082 0.000 0.836 94 L CB 0.595 42.706 42.059 0.086 0.000 1.112 94 L HN 0.570 nan 8.230 nan 0.000 0.465 95 T N 3.894 118.491 114.554 0.071 0.000 2.884 95 T HA 0.261 4.611 4.350 0.000 0.000 0.298 95 T C -2.337 172.357 174.700 -0.010 0.000 0.998 95 T CA -1.408 60.702 62.100 0.016 0.000 1.124 95 T CB 0.878 69.727 68.868 -0.031 0.000 0.931 95 T HN 0.260 nan 8.240 nan 0.000 0.531 96 P HA 0.090 nan 4.420 nan 0.000 0.264 96 P C -0.335 176.901 177.300 -0.108 0.000 1.183 96 P CA -0.384 62.690 63.100 -0.044 0.000 0.763 96 P CB 0.133 31.805 31.700 -0.046 0.000 0.807 97 C N 3.999 123.290 119.300 -0.014 0.000 2.499 97 C HA 0.378 4.838 4.460 0.000 0.000 0.386 97 C C 1.336 176.328 174.990 0.003 0.000 1.293 97 C CA 0.522 59.560 59.018 0.032 0.000 1.884 97 C CB -1.107 26.728 27.740 0.159 0.000 2.509 97 C HN 0.758 nan 8.230 nan 0.000 0.566 98 T N 0.986 115.530 114.554 -0.017 0.000 3.288 98 T HA 0.092 4.442 4.350 0.000 0.000 0.293 98 T C 0.847 175.568 174.700 0.035 0.000 1.008 98 T CA 0.342 62.440 62.100 -0.004 0.000 0.929 98 T CB -0.927 67.917 68.868 -0.040 0.000 1.152 98 T HN 0.981 nan 8.240 nan 0.000 0.517 99 C N -0.427 118.924 119.300 0.086 0.000 2.780 99 C HA 0.715 5.175 4.460 0.000 0.000 0.267 99 C C 2.306 177.333 174.990 0.062 0.000 1.266 99 C CA 0.039 59.109 59.018 0.087 0.000 1.709 99 C CB -1.147 26.674 27.740 0.135 0.000 1.975 99 C HN 0.872 nan 8.230 nan 0.000 0.582 100 G N 1.396 110.231 108.800 0.059 0.000 2.155 100 G HA2 -0.254 3.706 3.960 0.000 0.000 0.257 100 G HA3 -0.254 3.706 3.960 0.000 0.000 0.257 100 G C 0.218 175.143 174.900 0.042 0.000 0.983 100 G CA 0.649 45.776 45.100 0.045 0.000 0.676 100 G HN 1.015 nan 8.290 nan 0.000 0.528 101 S N -0.424 115.304 115.700 0.047 0.000 2.552 101 S HA 0.444 4.915 4.470 0.000 0.000 0.289 101 S C 1.496 176.109 174.600 0.022 0.000 1.304 101 S CA 0.793 59.014 58.200 0.035 0.000 1.063 101 S CB 0.802 64.027 63.200 0.041 0.000 0.848 101 S HN 0.499 nan 8.310 nan 0.000 0.499 102 S N 2.740 118.446 115.700 0.011 0.000 2.556 102 S HA 0.146 4.616 4.470 0.000 0.000 0.216 102 S C -0.345 174.232 174.600 -0.038 0.000 0.970 102 S CA -0.300 57.899 58.200 -0.001 0.000 0.912 102 S CB 0.039 63.242 63.200 0.006 0.000 0.790 102 S HN 0.729 nan 8.310 nan 0.000 0.504 103 D N 2.370 122.743 120.400 -0.045 0.000 2.396 103 D HA 0.336 4.976 4.640 0.000 0.000 0.225 103 D C -0.452 175.729 176.300 -0.198 0.000 1.121 103 D CA 0.035 53.960 54.000 -0.124 0.000 0.853 103 D CB 1.191 41.960 40.800 -0.051 0.000 1.043 103 D HN 0.228 nan 8.370 nan 0.000 0.500 104 L N 1.630 122.639 121.223 -0.356 0.000 2.313 104 L HA 0.537 4.877 4.340 0.000 0.000 0.268 104 L C -0.890 175.582 176.870 -0.664 0.000 1.010 104 L CA -1.130 53.519 54.840 -0.318 0.000 0.814 104 L CB 1.202 43.130 42.059 -0.218 0.000 1.304 104 L HN 0.251 nan 8.230 nan 0.000 0.441 105 Y N 1.234 121.492 120.300 -0.069 0.000 2.354 105 Y HA 0.452 5.003 4.550 0.000 0.000 0.330 105 Y C -0.601 175.261 175.900 -0.064 0.000 1.011 105 Y CA -0.671 57.397 58.100 -0.053 0.000 1.099 105 Y CB 2.035 40.470 38.460 -0.041 0.000 1.179 105 Y HN 0.266 nan 8.280 nan 0.000 0.442 106 L N 4.549 125.794 121.223 0.038 0.000 2.275 106 L HA 0.671 5.011 4.340 0.000 0.000 0.288 106 L C -1.085 175.789 176.870 0.007 0.000 1.046 106 L CA -0.534 54.299 54.840 -0.011 0.000 0.805 106 L CB 0.961 42.975 42.059 -0.074 0.000 1.193 106 L HN 0.442 nan 8.230 nan 0.000 0.426 107 V N 4.812 124.726 119.914 0.000 0.000 2.383 107 V HA 0.415 4.535 4.120 0.000 0.000 0.275 107 V C 0.693 176.761 176.094 -0.044 0.000 1.036 107 V CA -0.135 62.162 62.300 -0.005 0.000 0.889 107 V CB 1.129 32.953 31.823 0.001 0.000 0.985 107 V HN 0.963 nan 8.190 nan 0.000 0.459 108 T N 2.365 116.881 114.554 -0.063 0.000 2.881 108 T HA 0.313 4.663 4.350 0.000 0.000 0.278 108 T C 1.183 175.805 174.700 -0.131 0.000 0.982 108 T CA -0.491 61.531 62.100 -0.129 0.000 0.989 108 T CB 0.834 69.591 68.868 -0.185 0.000 1.058 108 T HN 0.732 nan 8.240 nan 0.000 0.529 109 R N -0.234 120.138 120.500 -0.213 0.000 2.293 109 R HA -0.064 4.276 4.340 0.000 0.000 0.219 109 R C 0.737 176.815 176.300 -0.371 0.000 1.091 109 R CA 1.153 57.084 56.100 -0.280 0.000 1.004 109 R CB -0.492 29.607 30.300 -0.335 0.000 0.865 109 R HN 0.686 nan 8.270 nan 0.000 0.469 110 H N 0.023 119.047 119.070 -0.076 0.000 2.505 110 H HA 0.363 4.919 4.556 0.000 0.000 0.286 110 H C 0.638 175.949 175.328 -0.028 0.000 1.072 110 H CA 0.084 56.097 56.048 -0.057 0.000 1.141 110 H CB 1.162 30.871 29.762 -0.089 0.000 1.550 110 H HN 0.386 nan 8.280 nan 0.000 0.547 111 A N 0.757 123.603 122.820 0.042 0.000 2.887 111 A HA -0.202 4.118 4.320 0.000 0.000 0.257 111 A C -0.220 177.400 177.584 0.059 0.000 1.372 111 A CA 0.844 52.905 52.037 0.040 0.000 0.879 111 A CB -1.792 17.245 19.000 0.063 0.000 1.082 111 A HN 0.310 nan 8.150 nan 0.000 0.703 112 D N -0.568 119.868 120.400 0.060 0.000 2.304 112 D HA 0.498 5.138 4.640 0.000 0.000 0.247 112 D C 0.067 176.412 176.300 0.075 0.000 1.089 112 D CA 0.138 54.191 54.000 0.089 0.000 0.910 112 D CB 1.525 42.410 40.800 0.142 0.000 1.199 112 D HN 0.264 nan 8.370 nan 0.000 0.426 113 V N 3.482 123.451 119.914 0.093 0.000 2.378 113 V HA 0.361 4.481 4.120 0.000 0.000 0.288 113 V C 0.230 176.410 176.094 0.143 0.000 1.016 113 V CA -0.629 61.733 62.300 0.103 0.000 0.840 113 V CB 1.157 33.027 31.823 0.078 0.000 0.994 113 V HN 0.360 nan 8.190 nan 0.000 0.431 114 I N 7.310 127.959 120.570 0.131 0.000 2.362 114 I HA 0.397 4.567 4.170 0.000 0.000 0.289 114 I C -2.417 173.721 176.117 0.034 0.000 0.994 114 I CA -2.205 59.150 61.300 0.091 0.000 1.158 114 I CB 2.657 40.699 38.000 0.069 0.000 1.315 114 I HN 0.403 nan 8.210 nan 0.000 0.451 115 P HA 0.136 nan 4.420 nan 0.000 0.271 115 P C -0.923 176.259 177.300 -0.197 0.000 1.220 115 P CA -0.017 62.959 63.100 -0.207 0.000 0.768 115 P CB 0.772 32.410 31.700 -0.102 0.000 0.848 116 V N 4.360 124.102 119.914 -0.287 0.000 2.686 116 V HA 0.398 4.519 4.120 0.000 0.000 0.306 116 V C -0.013 175.983 176.094 -0.163 0.000 1.065 116 V CA -0.790 61.413 62.300 -0.162 0.000 0.894 116 V CB 2.305 34.060 31.823 -0.113 0.000 1.004 116 V HN 0.343 nan 8.190 nan 0.000 0.424 117 R N 3.771 124.220 120.500 -0.086 0.000 2.202 117 R HA 0.422 4.762 4.340 0.000 0.000 0.334 117 R C 0.025 176.323 176.300 -0.004 0.000 1.036 117 R CA -0.327 55.738 56.100 -0.058 0.000 0.878 117 R CB 0.488 30.765 30.300 -0.039 0.000 1.067 117 R HN 0.746 nan 8.270 nan 0.000 0.457 118 R N 3.253 123.757 120.500 0.005 0.000 2.537 118 R HA 0.094 4.434 4.340 0.000 0.000 0.280 118 R C -0.031 176.309 176.300 0.066 0.000 1.058 118 R CA 0.494 56.639 56.100 0.074 0.000 1.057 118 R CB 0.527 30.873 30.300 0.077 0.000 0.973 118 R HN 0.754 nan 8.270 nan 0.000 0.438 119 R N 2.237 122.789 120.500 0.085 0.000 2.555 119 R HA 0.222 4.562 4.340 0.000 0.000 0.312 119 R C 0.143 176.462 176.300 0.032 0.000 0.938 119 R CA 0.169 56.297 56.100 0.046 0.000 1.112 119 R CB 1.766 32.086 30.300 0.034 0.000 1.535 119 R HN 0.785 nan 8.270 nan 0.000 0.525 120 G N -0.234 108.590 108.800 0.040 0.000 2.706 120 G HA2 0.115 4.076 3.960 0.000 0.000 0.307 120 G HA3 0.115 4.076 3.960 0.000 0.000 0.307 120 G C -0.706 174.191 174.900 -0.005 0.000 1.307 120 G CA -0.405 44.693 45.100 -0.002 0.000 0.790 120 G HN -0.202 nan 8.290 nan 0.000 0.503 121 D N -0.248 120.115 120.400 -0.062 0.000 2.224 121 D HA -0.026 4.614 4.640 0.000 0.000 0.205 121 D C 2.180 178.320 176.300 -0.267 0.000 0.965 121 D CA 1.938 55.891 54.000 -0.077 0.000 0.852 121 D CB 0.321 41.072 40.800 -0.082 0.000 0.947 121 D HN 0.387 nan 8.370 nan 0.000 0.494 122 S N -1.329 114.086 115.700 -0.476 0.000 2.847 122 S HA 0.255 4.725 4.470 0.000 0.000 0.254 122 S C 0.594 174.579 174.600 -1.026 0.000 1.039 122 S CA -0.634 56.951 58.200 -1.025 0.000 1.113 122 S CB 1.281 64.146 63.200 -0.557 0.000 1.092 122 S HN -0.134 nan 8.310 nan 0.000 0.620 123 R N 0.783 121.015 120.500 -0.447 0.000 2.740 123 R HA 0.807 5.148 4.340 0.000 0.000 0.282 123 R C -0.425 176.012 176.300 0.229 0.000 0.969 123 R CA -0.184 55.871 56.100 -0.076 0.000 0.918 123 R CB 1.764 32.036 30.300 -0.046 0.000 1.175 123 R HN 0.352 nan 8.270 nan 0.000 0.464 124 G N 0.150 109.112 108.800 0.271 0.000 2.753 124 G HA2 0.342 4.302 3.960 0.000 0.000 0.297 124 G HA3 0.342 4.302 3.960 0.000 0.000 0.297 124 G C -1.028 173.943 174.900 0.119 0.000 1.430 124 G CA -0.475 44.751 45.100 0.210 0.000 1.040 124 G HN 0.496 nan 8.290 nan 0.000 0.530 125 S N 1.531 117.267 115.700 0.060 0.000 2.525 125 S HA 0.625 5.095 4.470 0.000 0.000 0.278 125 S C 0.189 174.795 174.600 0.009 0.000 1.234 125 S CA -0.782 57.438 58.200 0.033 0.000 1.058 125 S CB 1.421 64.630 63.200 0.015 0.000 0.983 125 S HN 0.551 nan 8.310 nan 0.000 0.495 126 L N 3.306 124.534 121.223 0.008 0.000 2.410 126 L HA 0.128 4.468 4.340 0.000 0.000 0.273 126 L C 0.949 177.802 176.870 -0.029 0.000 1.152 126 L CA -0.713 54.119 54.840 -0.014 0.000 0.855 126 L CB 0.374 42.427 42.059 -0.010 0.000 1.129 126 L HN 0.682 nan 8.230 nan 0.000 0.463 127 L N 2.201 123.398 121.223 -0.044 0.000 2.046 127 L HA -0.111 4.229 4.340 0.000 0.000 0.208 127 L C 1.053 177.900 176.870 -0.039 0.000 1.077 127 L CA 1.488 56.303 54.840 -0.042 0.000 0.747 127 L CB -0.325 41.705 42.059 -0.048 0.000 0.896 127 L HN 0.525 nan 8.230 nan 0.000 0.432 128 S N -0.034 115.638 115.700 -0.047 0.000 2.528 128 S HA 0.391 4.861 4.470 0.000 0.000 0.303 128 S C -2.332 172.225 174.600 -0.072 0.000 1.123 128 S CA -1.165 57.000 58.200 -0.059 0.000 1.138 128 S CB 1.030 64.187 63.200 -0.072 0.000 0.984 128 S HN -0.050 nan 8.310 nan 0.000 0.474 129 P HA 0.150 nan 4.420 nan 0.000 0.264 129 P C -0.191 177.060 177.300 -0.081 0.000 1.183 129 P CA 0.113 63.183 63.100 -0.049 0.000 0.763 129 P CB 0.523 32.203 31.700 -0.034 0.000 0.807 130 R N 3.495 123.946 120.500 -0.082 0.000 2.854 130 R HA 0.499 4.840 4.340 0.000 0.000 0.271 130 R C -2.611 173.674 176.300 -0.025 0.000 0.994 130 R CA -2.379 53.647 56.100 -0.124 0.000 0.945 130 R CB 1.114 31.223 30.300 -0.319 0.000 1.194 130 R HN 0.251 nan 8.270 nan 0.000 0.476 131 P HA -0.110 nan 4.420 nan 0.000 0.265 131 P C 0.805 178.171 177.300 0.109 0.000 1.187 131 P CA 0.145 63.275 63.100 0.050 0.000 0.766 131 P CB 0.634 32.368 31.700 0.057 0.000 0.820 132 V N 3.092 123.067 119.914 0.102 0.000 2.407 132 V HA -0.251 3.869 4.120 0.000 0.000 0.248 132 V C 2.087 178.274 176.094 0.154 0.000 1.055 132 V CA 2.753 65.132 62.300 0.131 0.000 1.049 132 V CB -1.257 30.631 31.823 0.109 0.000 0.662 132 V HN 0.754 nan 8.190 nan 0.000 0.455 133 S N -0.744 115.038 115.700 0.136 0.000 2.407 133 S HA -0.367 4.103 4.470 0.000 0.000 0.235 133 S C 1.947 176.644 174.600 0.162 0.000 1.036 133 S CA 2.180 60.459 58.200 0.132 0.000 1.013 133 S CB -1.095 62.173 63.200 0.113 0.000 0.820 133 S HN 0.829 nan 8.310 nan 0.000 0.476 134 Y N 1.986 122.322 120.300 0.059 0.000 2.293 134 Y HA 0.172 4.723 4.550 0.000 0.000 0.291 134 Y C 1.756 177.690 175.900 0.056 0.000 1.137 134 Y CA 1.275 59.410 58.100 0.057 0.000 1.202 134 Y CB -0.145 38.334 38.460 0.032 0.000 0.990 134 Y HN 0.245 nan 8.280 nan 0.000 0.537 135 L N 1.284 122.572 121.223 0.108 0.000 2.627 135 L HA 0.037 4.377 4.340 0.000 0.000 0.232 135 L C 0.688 177.593 176.870 0.060 0.000 1.150 135 L CA 0.028 54.862 54.840 -0.010 0.000 0.917 135 L CB -0.490 41.597 42.059 0.046 0.000 1.104 135 L HN 0.014 nan 8.230 nan 0.000 0.445 136 K N 1.300 121.741 120.400 0.068 0.000 2.447 136 K HA 0.157 4.477 4.320 0.000 0.000 0.281 136 K C 1.091 177.734 176.600 0.071 0.000 1.031 136 K CA 0.891 57.237 56.287 0.099 0.000 1.019 136 K CB 0.318 32.874 32.500 0.094 0.000 0.918 136 K HN 0.203 nan 8.250 nan 0.000 0.476 137 G N 2.657 111.537 108.800 0.132 0.000 2.143 137 G HA2 -0.250 3.710 3.960 0.000 0.000 0.249 137 G HA3 -0.250 3.710 3.960 0.000 0.000 0.249 137 G C 0.509 175.491 174.900 0.137 0.000 0.981 137 G CA 0.411 45.590 45.100 0.133 0.000 0.665 137 G HN 0.598 nan 8.290 nan 0.000 0.528 138 S N 0.245 116.051 115.700 0.176 0.000 2.556 138 S HA 0.343 4.813 4.470 0.000 0.000 0.216 138 S C 1.307 176.192 174.600 0.476 0.000 0.970 138 S CA 0.491 58.792 58.200 0.168 0.000 0.912 138 S CB 0.270 63.410 63.200 -0.101 0.000 0.790 138 S HN 0.602 nan 8.310 nan 0.000 0.504 139 S N 1.282 117.284 115.700 0.502 0.000 2.593 139 S HA 0.330 4.800 4.470 0.000 0.000 0.300 139 S C 1.458 176.260 174.600 0.337 0.000 1.267 139 S CA 0.775 59.191 58.200 0.361 0.000 1.065 139 S CB 0.376 63.638 63.200 0.103 0.000 0.807 139 S HN 0.725 nan 8.310 nan 0.000 0.499 140 G N 2.473 111.444 108.800 0.285 0.000 2.217 140 G HA2 -0.181 3.779 3.960 0.000 0.000 0.246 140 G HA3 -0.181 3.779 3.960 0.000 0.000 0.246 140 G C 0.420 175.463 174.900 0.239 0.000 0.990 140 G CA -0.179 45.078 45.100 0.262 0.000 0.627 140 G HN 1.154 nan 8.290 nan 0.000 0.522 141 G N 1.328 110.278 108.800 0.250 0.000 2.554 141 G HA2 0.504 4.464 3.960 0.000 0.000 0.238 141 G HA3 0.504 4.464 3.960 0.000 0.000 0.238 141 G C -1.684 173.305 174.900 0.149 0.000 1.259 141 G CA 0.059 45.255 45.100 0.159 0.000 0.843 141 G HN 0.367 nan 8.290 nan 0.000 0.582 142 P HA 0.285 nan 4.420 nan 0.000 0.282 142 P C -0.841 176.470 177.300 0.018 0.000 1.249 142 P CA -0.585 62.551 63.100 0.059 0.000 0.806 142 P CB 1.589 33.318 31.700 0.048 0.000 0.984 143 L N 3.122 124.317 121.223 -0.047 0.000 2.272 143 L HA 0.384 4.725 4.340 0.000 0.000 0.289 143 L C 0.325 177.148 176.870 -0.079 0.000 1.032 143 L CA -0.075 54.693 54.840 -0.121 0.000 0.810 143 L CB 0.633 42.475 42.059 -0.362 0.000 1.205 143 L HN 0.218 nan 8.230 nan 0.000 0.422 144 L N 2.827 124.050 121.223 0.001 0.000 2.325 144 L HA 0.603 4.944 4.340 0.000 0.000 0.278 144 L C 0.326 177.252 176.870 0.092 0.000 1.023 144 L CA -0.874 53.991 54.840 0.043 0.000 0.811 144 L CB 1.714 43.803 42.059 0.050 0.000 1.249 144 L HN 0.751 nan 8.230 nan 0.000 0.431 145 C N 0.550 119.885 119.300 0.059 0.000 2.480 145 C HA 0.395 4.856 4.460 0.000 0.000 0.344 145 C C -1.123 173.908 174.990 0.069 0.000 1.380 145 C CA -1.155 57.907 59.018 0.075 0.000 2.386 145 C CB 0.524 28.287 27.740 0.039 0.000 2.210 145 C HN 0.672 nan 8.230 nan 0.000 0.640 146 P HA -0.031 nan 4.420 nan 0.000 0.221 146 P C 1.300 178.517 177.300 -0.137 0.000 1.145 146 P CA 1.520 64.623 63.100 0.005 0.000 0.795 146 P CB -0.106 31.620 31.700 0.043 0.000 0.775 147 S N -1.815 113.738 115.700 -0.245 0.000 2.575 147 S HA 0.305 4.775 4.470 0.000 0.000 0.215 147 S C 1.558 175.887 174.600 -0.452 0.000 0.966 147 S CA 0.549 58.496 58.200 -0.421 0.000 0.911 147 S CB -0.570 62.208 63.200 -0.705 0.000 0.780 147 S HN 0.324 nan 8.310 nan 0.000 0.514 148 G N 1.548 110.184 108.800 -0.272 0.000 2.143 148 G HA2 -0.242 3.719 3.960 0.000 0.000 0.249 148 G HA3 -0.242 3.719 3.960 0.000 0.000 0.249 148 G C -0.184 174.703 174.900 -0.021 0.000 0.981 148 G CA -0.106 44.918 45.100 -0.126 0.000 0.665 148 G HN 0.654 nan 8.290 nan 0.000 0.528 149 H N 0.332 119.407 119.070 0.009 0.000 2.551 149 H HA 0.570 5.127 4.556 0.000 0.000 0.358 149 H C 0.835 176.166 175.328 0.004 0.000 1.151 149 H CA -0.355 55.699 56.048 0.009 0.000 1.374 149 H CB 1.178 30.946 29.762 0.009 0.000 1.473 149 H HN 0.477 nan 8.280 nan 0.000 0.574 150 A N 2.398 125.301 122.820 0.139 0.000 2.404 150 A HA 0.201 4.521 4.320 0.000 0.000 0.273 150 A C 0.849 178.451 177.584 0.030 0.000 1.144 150 A CA -0.495 51.579 52.037 0.062 0.000 0.806 150 A CB 0.158 19.190 19.000 0.053 0.000 1.080 150 A HN 0.618 nan 8.150 nan 0.000 0.509 151 V N 2.564 122.464 119.914 -0.022 0.000 3.125 151 V HA 0.402 4.522 4.120 0.000 0.000 0.249 151 V C 1.324 177.384 176.094 -0.057 0.000 1.113 151 V CA 1.489 63.755 62.300 -0.056 0.000 1.106 151 V CB -0.332 31.404 31.823 -0.146 0.000 0.768 151 V HN 1.282 nan 8.190 nan 0.000 0.468 152 G N 0.016 108.762 108.800 -0.090 0.000 2.320 152 G HA2 0.444 4.404 3.960 0.000 0.000 0.296 152 G HA3 0.444 4.404 3.960 0.000 0.000 0.296 152 G C -1.743 173.177 174.900 0.033 0.000 1.306 152 G CA -0.294 44.825 45.100 0.032 0.000 0.836 152 G HN 0.284 nan 8.290 nan 0.000 0.517 153 I N -2.341 118.306 120.570 0.127 0.000 2.569 153 I HA 0.798 4.968 4.170 0.000 0.000 0.296 153 I C -0.575 175.698 176.117 0.260 0.000 1.028 153 I CA -1.197 60.200 61.300 0.162 0.000 1.082 153 I CB 2.184 40.267 38.000 0.138 0.000 1.264 153 I HN 0.430 nan 8.210 nan 0.000 0.429 154 F N 6.213 126.240 119.950 0.129 0.000 2.543 154 F HA 0.295 4.822 4.527 0.000 0.000 0.375 154 F C 1.227 177.118 175.800 0.153 0.000 1.075 154 F CA 0.029 58.123 58.000 0.156 0.000 1.225 154 F CB 0.670 39.738 39.000 0.114 0.000 1.099 154 F HN 0.721 nan 8.300 nan 0.000 0.561 155 R N 3.779 123.970 120.500 -0.515 0.000 2.435 155 R HA 0.735 5.075 4.340 0.000 0.000 0.221 155 R C -0.671 175.266 176.300 -0.605 0.000 0.885 155 R CA 0.273 56.128 56.100 -0.409 0.000 1.018 155 R CB 0.383 30.617 30.300 -0.109 0.000 1.259 155 R HN 0.563 nan 8.270 nan 0.000 0.597 156 A N 0.740 123.050 122.820 -0.849 0.000 2.608 156 A HA 0.754 5.074 4.320 0.000 0.000 0.292 156 A C -1.640 175.854 177.584 -0.150 0.000 1.066 156 A CA -0.524 51.231 52.037 -0.469 0.000 0.676 156 A CB 1.328 20.192 19.000 -0.226 0.000 1.277 156 A HN 0.307 nan 8.150 nan 0.000 0.413 157 A N 0.344 123.220 122.820 0.094 0.000 2.306 157 A HA 0.670 4.990 4.320 0.000 0.000 0.314 157 A C -0.444 177.203 177.584 0.104 0.000 1.164 157 A CA -0.410 51.759 52.037 0.221 0.000 0.822 157 A CB 0.665 19.825 19.000 0.267 0.000 1.130 157 A HN 1.482 nan 8.150 nan 0.000 0.496 158 V N 1.703 121.672 119.914 0.093 0.000 2.350 158 V HA 0.316 4.436 4.120 0.000 0.000 0.276 158 V C -0.224 175.880 176.094 0.016 0.000 1.028 158 V CA -0.450 61.871 62.300 0.035 0.000 0.860 158 V CB 0.364 32.203 31.823 0.026 0.000 0.990 158 V HN 0.949 nan 8.190 nan 0.000 0.453 159 C N 3.326 122.610 119.300 -0.026 0.000 2.456 159 C HA 0.665 5.125 4.460 0.000 0.000 0.325 159 C C 0.659 175.592 174.990 -0.095 0.000 1.217 159 C CA -0.469 58.525 59.018 -0.041 0.000 1.687 159 C CB 1.679 29.402 27.740 -0.029 0.000 2.270 159 C HN 0.842 nan 8.230 nan 0.000 0.499 160 T N 2.986 117.496 114.554 -0.074 0.000 2.821 160 T HA 0.357 4.708 4.350 0.000 0.000 0.307 160 T C 0.226 174.878 174.700 -0.081 0.000 1.034 160 T CA -0.363 61.682 62.100 -0.092 0.000 0.953 160 T CB 0.175 69.004 68.868 -0.065 0.000 0.968 160 T HN 0.759 nan 8.240 nan 0.000 0.462 161 R N 2.126 122.560 120.500 -0.110 0.000 3.416 161 R HA -0.231 4.110 4.340 0.000 0.000 0.263 161 R C 1.189 177.466 176.300 -0.038 0.000 1.053 161 R CA 0.668 56.722 56.100 -0.076 0.000 0.705 161 R CB -2.038 28.228 30.300 -0.056 0.000 1.124 161 R HN 1.181 nan 8.270 nan 0.000 0.444 162 G N -1.712 107.068 108.800 -0.033 0.000 2.176 162 G HA2 -0.312 3.648 3.960 0.000 0.000 0.253 162 G HA3 -0.312 3.648 3.960 0.000 0.000 0.253 162 G C 0.105 175.013 174.900 0.013 0.000 0.979 162 G CA 0.047 45.151 45.100 0.006 0.000 0.641 162 G HN 0.285 nan 8.290 nan 0.000 0.530 163 V N 1.363 121.275 119.914 -0.003 0.000 2.347 163 V HA 0.730 4.850 4.120 0.000 0.000 0.280 163 V C 0.830 176.929 176.094 0.008 0.000 1.021 163 V CA -0.368 61.933 62.300 0.002 0.000 0.847 163 V CB 1.400 33.215 31.823 -0.012 0.000 0.990 163 V HN 1.097 nan 8.190 nan 0.000 0.444 164 A N 4.777 127.616 122.820 0.032 0.000 2.476 164 A HA 0.299 4.619 4.320 0.000 0.000 0.275 164 A C 1.007 178.607 177.584 0.028 0.000 1.133 164 A CA 0.062 52.129 52.037 0.050 0.000 0.797 164 A CB -0.080 18.976 19.000 0.093 0.000 1.081 164 A HN 0.935 nan 8.150 nan 0.000 0.510 165 K N 1.245 121.658 120.400 0.021 0.000 2.354 165 K HA 0.390 4.711 4.320 0.000 0.000 0.194 165 K C 0.492 177.108 176.600 0.026 0.000 1.045 165 K CA 0.965 57.258 56.287 0.010 0.000 1.026 165 K CB 0.521 33.018 32.500 -0.006 0.000 0.866 165 K HN 0.808 nan 8.250 nan 0.000 0.530 166 A N 0.578 123.429 122.820 0.052 0.000 2.602 166 A HA 0.607 4.927 4.320 0.000 0.000 0.290 166 A C -1.408 176.258 177.584 0.138 0.000 1.114 166 A CA -0.759 51.324 52.037 0.077 0.000 0.683 166 A CB 1.414 20.448 19.000 0.056 0.000 1.281 166 A HN -0.063 nan 8.150 nan 0.000 0.416 167 V N -1.332 118.698 119.914 0.193 0.000 2.823 167 V HA 0.781 4.901 4.120 0.000 0.000 0.312 167 V C -0.983 175.273 176.094 0.270 0.000 1.072 167 V CA -0.638 61.852 62.300 0.316 0.000 0.937 167 V CB 1.655 33.757 31.823 0.464 0.000 1.013 167 V HN 0.908 nan 8.190 nan 0.000 0.430 168 D N 2.769 123.275 120.400 0.177 0.000 2.193 168 D HA 0.710 5.351 4.640 0.000 0.000 0.244 168 D C -0.718 175.634 176.300 0.087 0.000 1.064 168 D CA -0.244 53.770 54.000 0.022 0.000 0.845 168 D CB 1.331 42.086 40.800 -0.076 0.000 1.148 168 D HN 0.680 nan 8.370 nan 0.000 0.464 169 F N 1.111 121.061 119.950 -0.000 0.000 2.613 169 F HA 0.635 5.162 4.527 0.000 0.000 0.314 169 F C -1.350 174.428 175.800 -0.037 0.000 1.075 169 F CA -1.368 56.633 58.000 0.001 0.000 0.945 169 F CB 0.783 39.826 39.000 0.072 0.000 1.310 169 F HN 0.012 nan 8.300 nan 0.000 0.467 170 V N 3.827 123.827 119.914 0.144 0.000 2.389 170 V HA 0.335 4.455 4.120 0.000 0.000 0.264 170 V C -1.981 174.194 176.094 0.135 0.000 1.049 170 V CA -1.549 60.762 62.300 0.018 0.000 0.932 170 V CB 0.468 32.266 31.823 -0.043 0.000 1.011 170 V HN 0.611 nan 8.190 nan 0.000 0.475 171 P HA 0.142 nan 4.420 nan 0.000 0.276 171 P C 1.134 178.425 177.300 -0.016 0.000 1.244 171 P CA -0.204 63.005 63.100 0.183 0.000 0.801 171 P CB 1.403 33.174 31.700 0.118 0.000 1.006 172 V N -0.588 119.313 119.914 -0.021 0.000 2.568 172 V HA -0.231 3.889 4.120 0.000 0.000 0.253 172 V C 1.846 177.853 176.094 -0.144 0.000 1.072 172 V CA 1.798 64.025 62.300 -0.122 0.000 1.084 172 V CB -1.776 30.005 31.823 -0.070 0.000 0.676 172 V HN 0.316 nan 8.190 nan 0.000 0.469 173 E N 1.390 121.538 120.200 -0.087 0.000 2.153 173 E HA -0.093 4.257 4.350 0.000 0.000 0.194 173 E C 2.384 178.904 176.600 -0.133 0.000 0.988 173 E CA 1.576 57.922 56.400 -0.090 0.000 0.811 173 E CB -0.484 29.184 29.700 -0.054 0.000 0.746 173 E HN 0.684 nan 8.360 nan 0.000 0.466 174 S N -0.105 115.496 115.700 -0.165 0.000 2.406 174 S HA -0.024 4.447 4.470 0.000 0.000 0.228 174 S C 1.822 176.232 174.600 -0.317 0.000 1.020 174 S CA 0.749 58.828 58.200 -0.202 0.000 0.965 174 S CB -0.084 63.003 63.200 -0.188 0.000 0.798 174 S HN 0.231 nan 8.310 nan 0.000 0.488 175 M N 1.176 120.501 119.600 -0.458 0.000 2.132 175 M HA -0.102 4.378 4.480 0.000 0.000 0.263 175 M C 2.104 178.165 176.300 -0.398 0.000 1.065 175 M CA 1.312 56.157 55.300 -0.758 0.000 1.122 175 M CB -0.447 31.512 32.600 -1.068 0.000 1.365 175 M HN 0.279 nan 8.290 nan 0.000 0.411 176 E N -0.056 119.999 120.200 -0.242 0.000 2.051 176 E HA -0.193 4.157 4.350 0.000 0.000 0.192 176 E C 2.066 178.596 176.600 -0.117 0.000 0.991 176 E CA 2.009 58.331 56.400 -0.130 0.000 0.799 176 E CB -0.320 29.326 29.700 -0.090 0.000 0.748 176 E HN 0.616 nan 8.360 nan 0.000 0.449 177 T N -1.292 113.186 114.554 -0.126 0.000 2.821 177 T HA -0.113 4.237 4.350 0.000 0.000 0.267 177 T C 2.082 176.719 174.700 -0.105 0.000 1.046 177 T CA 1.576 63.619 62.100 -0.096 0.000 1.139 177 T CB -0.558 68.258 68.868 -0.087 0.000 0.871 177 T HN -0.033 nan 8.240 nan 0.000 0.454 178 T N 2.182 116.639 114.554 -0.161 0.000 2.674 178 T HA 0.029 4.379 4.350 0.000 0.000 0.265 178 T C 1.996 176.571 174.700 -0.208 0.000 1.039 178 T CA 1.715 63.715 62.100 -0.168 0.000 1.150 178 T CB -0.457 68.280 68.868 -0.218 0.000 0.864 178 T HN 0.366 nan 8.240 nan 0.000 0.427 179 M N 0.297 119.730 119.600 -0.279 0.000 2.279 179 M HA -0.013 4.468 4.480 0.000 0.000 0.264 179 M C 2.139 178.437 176.300 -0.003 0.000 1.062 179 M CA 1.414 56.574 55.300 -0.233 0.000 1.099 179 M CB -0.218 32.316 32.600 -0.110 0.000 1.394 179 M HN 0.030 nan 8.290 nan 0.000 0.426 180 R N -0.556 119.933 120.500 -0.019 0.000 2.310 180 R HA 0.150 4.490 4.340 0.000 0.000 0.202 180 R C -0.031 176.282 176.300 0.022 0.000 0.933 180 R CA -0.097 56.010 56.100 0.012 0.000 1.054 180 R CB 0.274 30.571 30.300 -0.005 0.000 0.985 180 R HN 0.135 nan 8.270 nan 0.000 0.489 181 S N 1.176 116.891 115.700 0.026 0.000 2.608 181 S HA 0.388 4.858 4.470 0.000 0.000 0.291 181 S C -2.349 172.292 174.600 0.068 0.000 1.146 181 S CA -1.395 56.826 58.200 0.034 0.000 1.043 181 S CB 1.535 64.743 63.200 0.013 0.000 1.037 181 S HN -0.083 nan 8.310 nan 0.000 0.520 182 P HA 0.062 nan 4.420 nan 0.000 0.266 182 P C 0.604 177.918 177.300 0.023 0.000 1.193 182 P CA -0.149 62.988 63.100 0.062 0.000 0.770 182 P CB 0.333 32.074 31.700 0.068 0.000 0.836 183 V N 1.183 121.060 119.914 -0.062 0.000 2.453 183 V HA -0.079 4.041 4.120 0.000 0.000 0.247 183 V C 0.722 176.491 176.094 -0.542 0.000 1.048 183 V CA 1.495 63.570 62.300 -0.374 0.000 1.049 183 V CB -0.786 30.641 31.823 -0.660 0.000 0.672 183 V HN 0.390 nan 8.190 nan 0.000 0.457 184 F N 0.326 120.266 119.950 -0.017 0.000 2.480 184 F HA 0.620 5.148 4.527 0.000 0.000 0.329 184 F C 0.353 176.148 175.800 -0.008 0.000 1.091 184 F CA -0.611 57.378 58.000 -0.018 0.000 0.972 184 F CB 1.652 40.639 39.000 -0.022 0.000 1.150 184 F HN -0.086 nan 8.300 nan 0.000 0.467 185 T N -1.730 112.921 114.554 0.160 0.000 2.903 185 T HA 0.497 4.847 4.350 0.000 0.000 0.299 185 T C -1.761 172.985 174.700 0.075 0.000 1.093 185 T CA -0.871 61.284 62.100 0.092 0.000 1.002 185 T CB 2.200 71.091 68.868 0.040 0.000 1.127 185 T HN 0.452 nan 8.240 nan 0.000 0.488 186 D N 0.508 120.932 120.400 0.039 0.000 2.425 186 D HA 0.381 5.021 4.640 0.000 0.000 0.240 186 D C -0.231 176.062 176.300 -0.012 0.000 1.080 186 D CA -0.662 53.351 54.000 0.021 0.000 0.836 186 D CB 0.741 41.546 40.800 0.009 0.000 1.125 186 D HN 0.472 nan 8.370 nan 0.000 0.525 187 N N 1.974 120.659 118.700 -0.025 0.000 2.338 187 N HA -0.004 4.736 4.740 0.000 0.000 0.251 187 N C 0.862 176.337 175.510 -0.058 0.000 1.199 187 N CA 0.049 53.036 53.050 -0.105 0.000 0.879 187 N CB 0.922 39.203 38.487 -0.343 0.000 1.159 187 N HN 0.407 nan 8.380 nan 0.000 0.514 188 S N -1.328 114.363 115.700 -0.015 0.000 2.496 188 S HA 0.144 4.614 4.470 0.000 0.000 0.224 188 S C 0.893 175.480 174.600 -0.023 0.000 0.996 188 S CA 0.060 58.259 58.200 -0.003 0.000 0.927 188 S CB 0.244 63.445 63.200 0.001 0.000 0.774 188 S HN -0.054 nan 8.310 nan 0.000 0.524 189 S N 3.246 118.925 115.700 -0.035 0.000 2.509 189 S HA 0.577 5.047 4.470 0.000 0.000 0.297 189 S C -2.782 171.786 174.600 -0.052 0.000 1.118 189 S CA -1.230 56.943 58.200 -0.045 0.000 1.074 189 S CB 1.193 64.369 63.200 -0.040 0.000 1.038 189 S HN 0.185 nan 8.310 nan 0.000 0.498 190 P HA 0.133 nan 4.420 nan 0.000 0.260 190 P C -2.439 174.855 177.300 -0.010 0.000 1.172 190 P CA -0.631 62.427 63.100 -0.070 0.000 0.760 190 P CB -0.568 30.999 31.700 -0.221 0.000 0.773 191 P HA 0.078 nan 4.420 nan 0.000 0.266 191 P C -0.332 177.005 177.300 0.062 0.000 1.195 191 P CA 0.161 63.268 63.100 0.011 0.000 0.768 191 P CB 0.425 32.100 31.700 -0.041 0.000 0.838 192 A N 3.029 125.857 122.820 0.012 0.000 2.407 192 A HA 0.228 4.548 4.320 0.000 0.000 0.248 192 A C 0.022 177.577 177.584 -0.047 0.000 1.082 192 A CA -0.421 51.630 52.037 0.022 0.000 0.785 192 A CB 0.017 19.021 19.000 0.006 0.000 1.020 192 A HN 0.401 nan 8.150 nan 0.000 0.489 193 V N 5.190 125.053 119.914 -0.085 0.000 2.450 193 V HA 0.180 4.300 4.120 0.000 0.000 0.281 193 V C -1.361 174.661 176.094 -0.120 0.000 1.019 193 V CA -0.586 61.573 62.300 -0.234 0.000 1.062 193 V CB 0.116 31.656 31.823 -0.472 0.000 0.979 193 V HN 0.906 nan 8.190 nan 0.000 0.477 194 P HA 0.208 nan 4.420 nan 0.000 0.278 194 P C 0.404 177.678 177.300 -0.045 0.000 1.258 194 P CA -0.560 62.490 63.100 -0.083 0.000 0.811 194 P CB 1.191 32.822 31.700 -0.115 0.000 1.063 195 Q N 0.678 120.467 119.800 -0.019 0.000 2.096 195 Q HA -0.076 4.264 4.340 0.000 0.000 0.204 195 Q C 0.658 176.665 176.000 0.013 0.000 0.982 195 Q CA 1.422 57.228 55.803 0.005 0.000 0.850 195 Q CB -0.114 28.628 28.738 0.007 0.000 0.901 195 Q HN 0.481 nan 8.270 nan 0.000 0.422 196 S N -1.610 114.093 115.700 0.006 0.000 2.634 196 S HA 0.388 4.858 4.470 0.000 0.000 0.296 196 S C -1.086 173.539 174.600 0.042 0.000 1.104 196 S CA -0.971 57.253 58.200 0.040 0.000 0.920 196 S CB 0.452 63.678 63.200 0.043 0.000 1.111 196 S HN 0.329 nan 8.310 nan 0.000 0.493 197 F N 3.074 122.999 119.950 -0.040 0.000 2.604 197 F HA 0.207 4.734 4.527 0.000 0.000 0.393 197 F C 0.277 176.041 175.800 -0.059 0.000 1.043 197 F CA 1.084 59.052 58.000 -0.053 0.000 1.227 197 F CB 0.211 39.184 39.000 -0.043 0.000 1.016 197 F HN 0.613 nan 8.300 nan 0.000 0.556 198 Q N 4.535 123.744 119.800 -0.984 0.000 2.379 198 Q HA 0.563 4.903 4.340 0.000 0.000 0.278 198 Q C -1.880 173.548 176.000 -0.953 0.000 1.068 198 Q CA -1.033 54.316 55.803 -0.758 0.000 0.816 198 Q CB 2.315 30.823 28.738 -0.383 0.000 1.387 198 Q HN 0.525 nan 8.270 nan 0.000 0.413 199 V N 2.006 121.551 119.914 -0.616 0.000 2.394 199 V HA 0.840 4.960 4.120 0.000 0.000 0.282 199 V C -0.306 175.566 176.094 -0.370 0.000 1.031 199 V CA -0.233 61.796 62.300 -0.452 0.000 0.881 199 V CB 0.890 32.548 31.823 -0.275 0.000 0.982 199 V HN 0.814 nan 8.190 nan 0.000 0.451 200 A N 4.180 126.760 122.820 -0.401 0.000 2.479 200 A HA 0.844 5.164 4.320 0.000 0.000 0.296 200 A C -0.936 176.365 177.584 -0.473 0.000 1.121 200 A CA -0.674 51.162 52.037 -0.336 0.000 0.743 200 A CB 1.559 20.424 19.000 -0.225 0.000 1.323 200 A HN 0.842 nan 8.150 nan 0.000 0.415 201 H N 0.040 118.996 119.070 -0.189 0.000 2.524 201 H HA 0.556 5.113 4.556 0.000 0.000 0.353 201 H C -1.596 173.549 175.328 -0.305 0.000 1.136 201 H CA -0.480 55.414 56.048 -0.256 0.000 1.193 201 H CB 1.978 31.511 29.762 -0.382 0.000 1.558 201 H HN 0.432 nan 8.280 nan 0.000 0.515 202 L N 3.924 125.075 121.223 -0.121 0.000 2.345 202 L HA 0.253 4.593 4.340 0.000 0.000 0.274 202 L C -0.984 175.916 176.870 0.050 0.000 0.999 202 L CA -0.314 54.478 54.840 -0.079 0.000 0.849 202 L CB 0.416 42.462 42.059 -0.023 0.000 1.220 202 L HN 0.611 nan 8.230 nan 0.000 0.422 203 H N 4.899 123.987 119.070 0.029 0.000 2.661 203 H HA 0.820 5.376 4.556 0.000 0.000 0.290 203 H C -0.498 174.828 175.328 -0.004 0.000 1.082 203 H CA -0.585 55.471 56.048 0.015 0.000 1.234 203 H CB 1.232 30.996 29.762 0.004 0.000 1.387 203 H HN 0.789 nan 8.280 nan 0.000 0.476 204 A N 4.478 127.364 122.820 0.109 0.000 2.549 204 A HA 0.519 4.839 4.320 0.000 0.000 0.297 204 A C -2.916 174.679 177.584 0.020 0.000 1.061 204 A CA -1.886 50.176 52.037 0.042 0.000 0.690 204 A CB 1.450 20.459 19.000 0.016 0.000 1.287 204 A HN 0.335 nan 8.150 nan 0.000 0.402 205 P HA 0.271 nan 4.420 nan 0.000 0.272 205 P C -0.022 177.274 177.300 -0.006 0.000 1.230 205 P CA 0.139 63.228 63.100 -0.019 0.000 0.788 205 P CB 0.293 31.970 31.700 -0.038 0.000 0.949 206 T N 1.511 116.063 114.554 -0.002 0.000 2.908 206 T HA 0.324 4.674 4.350 0.000 0.000 0.301 206 T C 1.416 176.125 174.700 0.015 0.000 1.019 206 T CA 1.450 63.561 62.100 0.018 0.000 1.152 206 T CB -0.427 68.459 68.868 0.031 0.000 0.966 206 T HN 0.831 nan 8.240 nan 0.000 0.540 207 G N 2.179 110.988 108.800 0.014 0.000 2.213 207 G HA2 -0.335 3.626 3.960 0.000 0.000 0.236 207 G HA3 -0.335 3.626 3.960 0.000 0.000 0.236 207 G C 1.176 176.073 174.900 -0.005 0.000 0.991 207 G CA 0.650 45.754 45.100 0.007 0.000 0.629 207 G HN 1.029 nan 8.290 nan 0.000 0.517 208 S N 0.178 115.872 115.700 -0.010 0.000 2.562 208 S HA 0.410 4.881 4.470 0.000 0.000 0.221 208 S C 2.075 176.659 174.600 -0.026 0.000 0.975 208 S CA 1.475 59.666 58.200 -0.016 0.000 0.918 208 S CB 0.128 63.318 63.200 -0.017 0.000 0.772 208 S HN 2.413 nan 8.310 nan 0.000 0.531 209 G N 1.382 110.157 108.800 -0.042 0.000 2.130 209 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 209 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 209 G C 0.627 175.465 174.900 -0.104 0.000 0.999 209 G CA 0.255 45.315 45.100 -0.066 0.000 0.686 209 G HN 0.482 nan 8.290 nan 0.000 0.515 210 K N 0.236 120.579 120.400 -0.094 0.000 2.089 210 K HA -0.129 4.191 4.320 0.000 0.000 0.210 210 K C 2.316 178.815 176.600 -0.168 0.000 1.048 210 K CA 1.912 58.139 56.287 -0.099 0.000 0.926 210 K CB -0.181 32.289 32.500 -0.049 0.000 0.714 210 K HN 0.469 nan 8.250 nan 0.000 0.448 211 S N -0.607 114.917 115.700 -0.294 0.000 2.535 211 S HA -0.001 4.469 4.470 0.000 0.000 0.214 211 S C 1.505 175.857 174.600 -0.413 0.000 0.980 211 S CA 0.775 58.666 58.200 -0.516 0.000 0.907 211 S CB 0.494 62.952 63.200 -1.237 0.000 0.790 211 S HN 0.469 nan 8.310 nan 0.000 0.510 212 T N 0.359 114.756 114.554 -0.262 0.000 3.361 212 T HA 0.271 4.621 4.350 0.000 0.000 0.241 212 T C 1.599 176.227 174.700 -0.120 0.000 0.998 212 T CA 0.068 62.121 62.100 -0.078 0.000 1.215 212 T CB -0.394 68.438 68.868 -0.060 0.000 1.196 212 T HN 0.106 nan 8.240 nan 0.000 0.376 213 K N 1.082 121.444 120.400 -0.064 0.000 2.032 213 K HA -0.093 4.227 4.320 0.000 0.000 0.209 213 K C 2.215 178.687 176.600 -0.213 0.000 1.048 213 K CA 1.764 57.977 56.287 -0.123 0.000 0.927 213 K CB -0.638 31.875 32.500 0.022 0.000 0.712 213 K HN 0.248 nan 8.250 nan 0.000 0.441 214 V N 2.113 121.911 119.914 -0.193 0.000 2.233 214 V HA -0.180 3.940 4.120 0.000 0.000 0.247 214 V C -0.930 174.997 176.094 -0.278 0.000 1.050 214 V CA 2.189 64.324 62.300 -0.274 0.000 1.010 214 V CB -1.149 30.549 31.823 -0.210 0.000 0.637 214 V HN 0.434 nan 8.190 nan 0.000 0.444 215 P HA -0.117 nan 4.420 nan 0.000 0.218 215 P C 1.576 178.845 177.300 -0.050 0.000 1.149 215 P CA 2.024 65.116 63.100 -0.013 0.000 0.817 215 P CB -0.073 31.566 31.700 -0.101 0.000 0.785 216 A N 0.951 123.667 122.820 -0.174 0.000 1.883 216 A HA -0.100 4.220 4.320 0.000 0.000 0.217 216 A C 2.525 180.033 177.584 -0.126 0.000 1.186 216 A CA 2.383 54.291 52.037 -0.215 0.000 0.624 216 A CB -1.598 17.017 19.000 -0.642 0.000 0.822 216 A HN 0.230 nan 8.150 nan 0.000 0.444 217 A N -1.544 121.170 122.820 -0.177 0.000 1.933 217 A HA -0.066 4.254 4.320 0.000 0.000 0.218 217 A C 2.086 179.641 177.584 -0.049 0.000 1.175 217 A CA 1.620 53.575 52.037 -0.138 0.000 0.628 217 A CB -0.785 18.081 19.000 -0.223 0.000 0.814 217 A HN 0.552 nan 8.150 nan 0.000 0.444 218 Y N -0.060 120.238 120.300 -0.003 0.000 2.181 218 Y HA -0.114 4.436 4.550 0.000 0.000 0.288 218 Y C 2.952 178.933 175.900 0.134 0.000 1.146 218 Y CA 0.536 58.679 58.100 0.073 0.000 1.164 218 Y CB -0.953 37.505 38.460 -0.003 0.000 0.982 218 Y HN 0.328 nan 8.280 nan 0.000 0.515 219 A N -0.113 122.837 122.820 0.217 0.000 1.933 219 A HA -0.096 4.224 4.320 0.000 0.000 0.218 219 A C 2.437 180.073 177.584 0.087 0.000 1.175 219 A CA 1.736 53.854 52.037 0.136 0.000 0.628 219 A CB -1.182 17.864 19.000 0.076 0.000 0.814 219 A HN 0.374 nan 8.150 nan 0.000 0.444 220 A N -0.927 121.933 122.820 0.066 0.000 2.125 220 A HA -0.137 4.184 4.320 0.000 0.000 0.219 220 A C 1.909 179.513 177.584 0.034 0.000 1.156 220 A CA 1.457 53.517 52.037 0.038 0.000 0.671 220 A CB -0.393 18.622 19.000 0.025 0.000 0.794 220 A HN 0.664 nan 8.150 nan 0.000 0.459 221 Q N -1.705 118.142 119.800 0.078 0.000 2.403 221 Q HA 0.295 4.635 4.340 0.000 0.000 0.203 221 Q C 0.991 176.901 176.000 -0.150 0.000 0.932 221 Q CA 0.384 56.214 55.803 0.045 0.000 0.945 221 Q CB 0.263 29.140 28.738 0.233 0.000 1.045 221 Q HN 0.828 nan 8.270 nan 0.000 0.511 222 G N -0.152 108.577 108.800 -0.118 0.000 2.141 222 G HA2 -0.258 3.702 3.960 0.000 0.000 0.231 222 G HA3 -0.258 3.702 3.960 0.000 0.000 0.231 222 G C -0.524 174.205 174.900 -0.285 0.000 0.984 222 G CA -0.444 44.526 45.100 -0.217 0.000 0.660 222 G HN 0.244 nan 8.290 nan 0.000 0.525 223 Y N 0.457 120.773 120.300 0.026 0.000 2.419 223 Y HA 0.609 5.159 4.550 0.000 0.000 0.328 223 Y C 0.963 176.872 175.900 0.015 0.000 1.162 223 Y CA -0.732 57.372 58.100 0.007 0.000 1.174 223 Y CB 1.063 39.509 38.460 -0.022 0.000 1.228 223 Y HN -0.000 nan 8.280 nan 0.000 0.473 224 K N 1.992 122.506 120.400 0.191 0.000 2.258 224 K HA 0.534 4.854 4.320 0.000 0.000 0.284 224 K C -1.270 175.451 176.600 0.202 0.000 1.051 224 K CA -0.479 55.903 56.287 0.158 0.000 0.923 224 K CB 0.965 33.517 32.500 0.087 0.000 1.046 224 K HN 0.311 nan 8.250 nan 0.000 0.474 225 V N 4.207 124.217 119.914 0.159 0.000 2.540 225 V HA 0.342 4.462 4.120 0.000 0.000 0.302 225 V C -0.916 175.072 176.094 -0.177 0.000 1.035 225 V CA -1.083 61.210 62.300 -0.011 0.000 0.873 225 V CB 1.543 33.330 31.823 -0.060 0.000 0.992 225 V HN 0.538 nan 8.190 nan 0.000 0.428 226 L N 6.093 127.020 121.223 -0.493 0.000 2.305 226 L HA 0.714 5.054 4.340 0.000 0.000 0.284 226 L C -0.615 175.922 176.870 -0.555 0.000 1.013 226 L CA -0.024 54.348 54.840 -0.781 0.000 0.819 226 L CB 1.693 42.928 42.059 -1.372 0.000 1.227 226 L HN 0.461 nan 8.230 nan 0.000 0.417 227 V N 6.811 126.405 119.914 -0.534 0.000 2.328 227 V HA 0.427 4.547 4.120 0.000 0.000 0.278 227 V C 0.023 175.909 176.094 -0.347 0.000 1.021 227 V CA -0.482 61.557 62.300 -0.434 0.000 0.838 227 V CB 1.190 32.692 31.823 -0.535 0.000 0.999 227 V HN 0.609 nan 8.190 nan 0.000 0.447 228 L N 5.191 126.153 121.223 -0.436 0.000 2.295 228 L HA 0.629 4.970 4.340 0.000 0.000 0.285 228 L C 0.066 176.542 176.870 -0.656 0.000 1.035 228 L CA -0.137 54.286 54.840 -0.694 0.000 0.806 228 L CB 1.402 42.784 42.059 -1.128 0.000 1.214 228 L HN 0.612 nan 8.230 nan 0.000 0.426 229 N N 2.898 121.291 118.700 -0.511 0.000 2.242 229 N HA 0.373 5.114 4.740 0.000 0.000 0.292 229 N C -2.417 173.104 175.510 0.018 0.000 1.125 229 N CA -1.584 51.402 53.050 -0.107 0.000 0.783 229 N CB 3.251 41.827 38.487 0.148 0.000 1.558 229 N HN 0.110 nan 8.380 nan 0.000 0.472 230 P HA -0.069 nan 4.420 nan 0.000 0.217 230 P C 0.113 177.473 177.300 0.101 0.000 1.150 230 P CA 1.103 64.346 63.100 0.238 0.000 0.832 230 P CB 0.166 31.944 31.700 0.130 0.000 0.787 231 S N -1.629 114.106 115.700 0.059 0.000 2.525 231 S HA 0.239 4.709 4.470 0.000 0.000 0.290 231 S C 1.126 175.717 174.600 -0.016 0.000 1.152 231 S CA -0.762 57.449 58.200 0.018 0.000 1.072 231 S CB 1.236 64.445 63.200 0.015 0.000 1.027 231 S HN -0.205 nan 8.310 nan 0.000 0.500 232 V N 3.578 123.482 119.914 -0.016 0.000 2.295 232 V HA -0.154 3.966 4.120 0.000 0.000 0.246 232 V C 2.984 179.039 176.094 -0.065 0.000 1.049 232 V CA 2.503 64.786 62.300 -0.028 0.000 1.024 232 V CB -1.645 30.168 31.823 -0.016 0.000 0.648 232 V HN 1.028 nan 8.190 nan 0.000 0.447 233 A N 0.060 122.842 122.820 -0.064 0.000 1.865 233 A HA -0.196 4.124 4.320 0.000 0.000 0.217 233 A C 2.462 179.914 177.584 -0.219 0.000 1.191 233 A CA 2.467 54.444 52.037 -0.101 0.000 0.623 233 A CB -1.019 17.948 19.000 -0.054 0.000 0.826 233 A HN 0.598 nan 8.150 nan 0.000 0.444 234 A N -1.165 121.498 122.820 -0.262 0.000 1.883 234 A HA -0.147 4.173 4.320 0.000 0.000 0.217 234 A C 2.334 179.450 177.584 -0.781 0.000 1.186 234 A CA 2.537 54.231 52.037 -0.571 0.000 0.624 234 A CB -1.444 17.335 19.000 -0.368 0.000 0.822 234 A HN 0.457 nan 8.150 nan 0.000 0.444 235 T N 0.451 114.818 114.554 -0.313 0.000 2.746 235 T HA -0.079 4.271 4.350 0.000 0.000 0.267 235 T C 1.800 176.395 174.700 -0.175 0.000 1.039 235 T CA 1.500 63.534 62.100 -0.111 0.000 1.142 235 T CB -0.387 68.497 68.868 0.026 0.000 0.866 235 T HN 0.378 nan 8.240 nan 0.000 0.444 236 L N 0.569 121.691 121.223 -0.168 0.000 2.093 236 L HA 0.025 4.365 4.340 0.000 0.000 0.208 236 L C 3.027 179.788 176.870 -0.182 0.000 1.085 236 L CA 1.255 56.018 54.840 -0.129 0.000 0.755 236 L CB -1.028 40.980 42.059 -0.085 0.000 0.904 236 L HN 0.342 nan 8.230 nan 0.000 0.435 237 G N -0.005 108.618 108.800 -0.295 0.000 2.418 237 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 237 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 237 G C 1.324 176.097 174.900 -0.212 0.000 1.158 237 G CA 0.492 45.420 45.100 -0.287 0.000 0.771 237 G HN 0.148 nan 8.290 nan 0.000 0.545 238 F N 1.780 121.561 119.950 -0.280 0.000 2.102 238 F HA 0.070 4.598 4.527 0.000 0.000 0.298 238 F C 2.879 178.373 175.800 -0.509 0.000 1.105 238 F CA 0.341 58.060 58.000 -0.468 0.000 1.239 238 F CB -1.164 37.313 39.000 -0.872 0.000 0.991 238 F HN 0.174 nan 8.300 nan 0.000 0.474 239 G N -0.085 108.490 108.800 -0.375 0.000 2.545 239 G HA2 -0.274 3.687 3.960 0.000 0.000 0.217 239 G HA3 -0.274 3.687 3.960 0.000 0.000 0.217 239 G C 1.964 176.865 174.900 0.002 0.000 1.218 239 G CA 1.537 46.545 45.100 -0.153 0.000 0.787 239 G HN 0.482 nan 8.290 nan 0.000 0.571 240 A N -0.169 122.649 122.820 -0.002 0.000 1.917 240 A HA -0.141 4.179 4.320 0.000 0.000 0.219 240 A C 2.250 179.872 177.584 0.062 0.000 1.182 240 A CA 2.034 54.085 52.037 0.023 0.000 0.633 240 A CB -0.728 18.273 19.000 0.002 0.000 0.819 240 A HN 0.615 nan 8.150 nan 0.000 0.448 241 Y N -0.875 119.416 120.300 -0.015 0.000 2.163 241 Y HA -0.139 4.411 4.550 0.000 0.000 0.288 241 Y C 2.421 178.360 175.900 0.065 0.000 1.136 241 Y CA 1.989 60.101 58.100 0.021 0.000 1.147 241 Y CB -0.220 38.274 38.460 0.056 0.000 0.987 241 Y HN 0.217 nan 8.280 nan 0.000 0.509 242 M N 0.264 120.053 119.600 0.315 0.000 2.260 242 M HA -0.212 4.268 4.480 0.000 0.000 0.261 242 M C 2.306 178.679 176.300 0.122 0.000 1.066 242 M CA 2.080 57.557 55.300 0.295 0.000 1.082 242 M CB -0.764 32.053 32.600 0.361 0.000 1.388 242 M HN 0.574 nan 8.290 nan 0.000 0.419 243 S N 0.266 116.002 115.700 0.059 0.000 2.436 243 S HA -0.126 4.345 4.470 0.000 0.000 0.228 243 S C 1.601 176.181 174.600 -0.035 0.000 1.014 243 S CA 1.184 59.400 58.200 0.028 0.000 0.950 243 S CB -0.147 63.071 63.200 0.029 0.000 0.784 243 S HN 0.589 nan 8.310 nan 0.000 0.504 244 K N 1.549 121.881 120.400 -0.114 0.000 2.262 244 K HA 0.533 4.853 4.320 0.000 0.000 0.200 244 K C 1.808 178.258 176.600 -0.250 0.000 1.058 244 K CA 0.791 56.983 56.287 -0.158 0.000 0.974 244 K CB -0.703 31.704 32.500 -0.155 0.000 0.910 244 K HN 0.256 nan 8.250 nan 0.000 0.484 245 A N -0.007 122.536 122.820 -0.461 0.000 2.238 245 A HA 0.203 4.523 4.320 0.000 0.000 0.210 245 A C 0.531 177.755 177.584 -0.600 0.000 1.179 245 A CA 0.315 51.975 52.037 -0.629 0.000 0.827 245 A CB -0.436 17.861 19.000 -1.171 0.000 0.856 245 A HN 0.511 nan 8.150 nan 0.000 0.488 246 H N -1.958 117.022 119.070 -0.149 0.000 3.182 246 H HA 0.339 4.895 4.556 0.000 0.000 0.254 246 H C 1.022 176.341 175.328 -0.015 0.000 1.197 246 H CA 0.039 56.066 56.048 -0.035 0.000 1.061 246 H CB 0.726 30.513 29.762 0.042 0.000 1.722 246 H HN 0.471 nan 8.280 nan 0.000 0.662 247 G N 2.194 111.018 108.800 0.040 0.000 2.386 247 G HA2 -0.276 3.684 3.960 0.000 0.000 0.295 247 G HA3 -0.276 3.684 3.960 0.000 0.000 0.295 247 G C -0.043 174.892 174.900 0.057 0.000 0.979 247 G CA 1.111 46.229 45.100 0.030 0.000 1.193 247 G HN 0.529 nan 8.290 nan 0.000 0.508 248 I N -1.755 118.859 120.570 0.073 0.000 2.785 248 I HA 0.377 4.547 4.170 0.000 0.000 0.293 248 I C -1.682 174.490 176.117 0.091 0.000 1.446 248 I CA -1.056 60.291 61.300 0.080 0.000 1.028 248 I CB 1.882 39.940 38.000 0.095 0.000 1.349 248 I HN -0.013 nan 8.210 nan 0.000 0.438 249 D N 9.175 129.622 120.400 0.079 0.000 2.485 249 D HA 0.327 4.967 4.640 0.000 0.000 0.221 249 D C -2.401 173.964 176.300 0.108 0.000 1.112 249 D CA -0.993 53.058 54.000 0.084 0.000 0.911 249 D CB 1.443 42.278 40.800 0.058 0.000 1.019 249 D HN 0.342 nan 8.370 nan 0.000 0.516 250 P HA -0.008 nan 4.420 nan 0.000 0.271 250 P C 0.112 177.512 177.300 0.167 0.000 1.218 250 P CA -0.345 62.873 63.100 0.195 0.000 0.780 250 P CB 1.209 33.133 31.700 0.372 0.000 0.901 251 N N 1.695 120.483 118.700 0.146 0.000 2.381 251 N HA 0.161 4.901 4.740 0.000 0.000 0.241 251 N C 0.077 175.684 175.510 0.162 0.000 1.279 251 N CA 0.368 53.497 53.050 0.131 0.000 0.896 251 N CB 0.420 38.982 38.487 0.125 0.000 1.118 251 N HN 0.411 nan 8.380 nan 0.000 0.438 252 I N 1.049 121.698 120.570 0.132 0.000 2.607 252 I HA 0.278 4.448 4.170 0.000 0.000 0.290 252 I C -0.548 175.629 176.117 0.100 0.000 1.129 252 I CA -0.517 60.863 61.300 0.134 0.000 1.042 252 I CB 1.993 40.059 38.000 0.108 0.000 1.242 252 I HN 0.234 nan 8.210 nan 0.000 0.421 253 R N 4.190 124.748 120.500 0.097 0.000 2.473 253 R HA 0.620 4.960 4.340 0.000 0.000 0.303 253 R C -0.969 175.369 176.300 0.062 0.000 1.002 253 R CA -0.615 55.532 56.100 0.078 0.000 0.884 253 R CB 2.219 32.572 30.300 0.089 0.000 1.173 253 R HN 0.734 nan 8.270 nan 0.000 0.464 254 T N -2.421 112.162 114.554 0.049 0.000 2.841 254 T HA 0.361 4.711 4.350 0.000 0.000 0.296 254 T C 1.064 175.781 174.700 0.029 0.000 1.166 254 T CA -0.445 61.674 62.100 0.033 0.000 1.007 254 T CB 1.781 70.661 68.868 0.020 0.000 1.253 254 T HN 0.394 nan 8.240 nan 0.000 0.511 255 G N -0.103 108.707 108.800 0.016 0.000 2.446 255 G HA2 -0.129 3.831 3.960 0.000 0.000 0.217 255 G HA3 -0.129 3.831 3.960 0.000 0.000 0.217 255 G C 1.382 176.294 174.900 0.021 0.000 1.168 255 G CA 1.107 46.216 45.100 0.015 0.000 0.771 255 G HN 0.840 nan 8.290 nan 0.000 0.551 256 V N -0.511 119.412 119.914 0.015 0.000 2.951 256 V HA 0.389 4.509 4.120 0.000 0.000 0.255 256 V C 0.962 177.069 176.094 0.021 0.000 1.088 256 V CA 0.901 63.212 62.300 0.018 0.000 1.109 256 V CB -0.163 31.667 31.823 0.012 0.000 0.724 256 V HN 0.295 nan 8.190 nan 0.000 0.471 257 R N -0.136 120.378 120.500 0.023 0.000 2.549 257 R HA 0.418 4.758 4.340 0.000 0.000 0.291 257 R C -1.423 174.899 176.300 0.036 0.000 1.164 257 R CA -0.130 55.986 56.100 0.026 0.000 0.973 257 R CB 1.707 32.019 30.300 0.020 0.000 1.210 257 R HN 0.262 nan 8.270 nan 0.000 0.422 258 T N 5.651 120.229 114.554 0.040 0.000 2.812 258 T HA 0.549 4.899 4.350 0.000 0.000 0.282 258 T C -0.457 174.271 174.700 0.048 0.000 0.990 258 T CA -0.438 61.692 62.100 0.049 0.000 0.960 258 T CB 0.956 69.853 68.868 0.049 0.000 0.948 258 T HN 0.396 nan 8.240 nan 0.000 0.438 259 I N 2.471 123.075 120.570 0.057 0.000 2.512 259 I HA 0.303 4.473 4.170 0.000 0.000 0.287 259 I C -0.195 175.959 176.117 0.062 0.000 1.069 259 I CA -0.765 60.568 61.300 0.054 0.000 1.056 259 I CB 2.314 40.347 38.000 0.055 0.000 1.229 259 I HN 0.465 nan 8.210 nan 0.000 0.429 260 T N 3.093 117.678 114.554 0.052 0.000 2.753 260 T HA 0.211 4.561 4.350 0.000 0.000 0.297 260 T C 0.993 175.720 174.700 0.045 0.000 0.981 260 T CA -0.387 61.744 62.100 0.051 0.000 0.956 260 T CB 0.912 69.804 68.868 0.041 0.000 0.936 260 T HN 0.822 nan 8.240 nan 0.000 0.463 261 T N -0.298 114.287 114.554 0.052 0.000 3.001 261 T HA 0.359 4.709 4.350 0.000 0.000 0.251 261 T C 1.859 176.581 174.700 0.036 0.000 1.040 261 T CA 0.548 62.674 62.100 0.044 0.000 0.985 261 T CB 0.054 68.954 68.868 0.053 0.000 1.011 261 T HN 0.861 nan 8.240 nan 0.000 0.509 262 G N 1.639 110.461 108.800 0.035 0.000 2.179 262 G HA2 -0.112 3.849 3.960 0.000 0.000 0.260 262 G HA3 -0.112 3.849 3.960 0.000 0.000 0.260 262 G C 0.534 175.449 174.900 0.024 0.000 0.977 262 G CA 0.065 45.178 45.100 0.021 0.000 0.641 262 G HN 1.236 nan 8.290 nan 0.000 0.533 263 A N 0.840 123.685 122.820 0.042 0.000 2.504 263 A HA 0.528 4.848 4.320 0.000 0.000 0.242 263 A C 0.211 177.826 177.584 0.051 0.000 1.100 263 A CA 0.516 52.582 52.037 0.049 0.000 0.786 263 A CB 0.335 19.377 19.000 0.070 0.000 1.050 263 A HN 0.271 nan 8.150 nan 0.000 0.512 264 P HA 0.098 nan 4.420 nan 0.000 0.239 264 P C -0.124 177.232 177.300 0.094 0.000 1.188 264 P CA 0.514 63.650 63.100 0.059 0.000 0.794 264 P CB 0.060 31.790 31.700 0.049 0.000 0.937 265 V N 0.654 120.613 119.914 0.075 0.000 2.427 265 V HA 0.363 4.483 4.120 0.000 0.000 0.286 265 V C 0.175 176.281 176.094 0.019 0.000 1.034 265 V CA -0.006 62.304 62.300 0.017 0.000 0.893 265 V CB 1.544 33.353 31.823 -0.022 0.000 0.982 265 V HN -0.051 nan 8.190 nan 0.000 0.452 266 T N 4.352 118.870 114.554 -0.061 0.000 2.841 266 T HA 0.610 4.960 4.350 0.000 0.000 0.283 266 T C -1.180 173.381 174.700 -0.232 0.000 1.000 266 T CA -0.286 61.802 62.100 -0.019 0.000 0.977 266 T CB 0.985 69.931 68.868 0.129 0.000 0.979 266 T HN 0.420 nan 8.240 nan 0.000 0.446 267 Y N 1.340 121.649 120.300 0.014 0.000 2.341 267 Y HA 0.634 5.184 4.550 0.000 0.000 0.337 267 Y C 0.614 176.503 175.900 -0.018 0.000 1.014 267 Y CA -0.400 57.699 58.100 -0.002 0.000 1.111 267 Y CB 1.995 40.501 38.460 0.077 0.000 1.194 267 Y HN 0.589 nan 8.280 nan 0.000 0.462 268 S N 1.311 117.045 115.700 0.056 0.000 2.541 268 S HA 0.516 4.987 4.470 0.000 0.000 0.271 268 S C -0.685 173.869 174.600 -0.077 0.000 1.133 268 S CA -0.817 57.385 58.200 0.003 0.000 0.876 268 S CB 0.842 64.031 63.200 -0.019 0.000 1.105 268 S HN 0.712 nan 8.310 nan 0.000 0.470 269 T N 2.071 116.602 114.554 -0.038 0.000 2.860 269 T HA 0.314 4.665 4.350 0.000 0.000 0.299 269 T C 0.914 175.558 174.700 -0.093 0.000 1.045 269 T CA -0.048 62.012 62.100 -0.067 0.000 1.071 269 T CB 0.090 68.964 68.868 0.009 0.000 0.985 269 T HN 0.617 nan 8.240 nan 0.000 0.537 270 Y N 1.611 121.905 120.300 -0.009 0.000 2.207 270 Y HA 0.017 4.567 4.550 0.000 0.000 0.287 270 Y C 2.797 178.716 175.900 0.031 0.000 1.156 270 Y CA 1.791 59.892 58.100 0.002 0.000 1.182 270 Y CB -1.084 37.344 38.460 -0.054 0.000 0.979 270 Y HN 0.890 nan 8.280 nan 0.000 0.521 271 G N -0.437 108.450 108.800 0.144 0.000 2.421 271 G HA2 -0.304 3.656 3.960 0.000 0.000 0.216 271 G HA3 -0.304 3.656 3.960 0.000 0.000 0.216 271 G C 1.680 176.630 174.900 0.083 0.000 1.171 271 G CA 1.198 46.349 45.100 0.086 0.000 0.775 271 G HN 0.235 nan 8.290 nan 0.000 0.543 272 K N 0.269 120.717 120.400 0.080 0.000 2.097 272 K HA -0.022 4.298 4.320 0.000 0.000 0.205 272 K C 2.015 178.667 176.600 0.087 0.000 1.050 272 K CA 0.871 57.206 56.287 0.081 0.000 0.938 272 K CB -0.695 31.846 32.500 0.069 0.000 0.718 272 K HN 0.245 nan 8.250 nan 0.000 0.442 273 F N 0.873 120.793 119.950 -0.051 0.000 2.095 273 F HA -0.167 4.360 4.527 0.000 0.000 0.298 273 F C 1.538 177.283 175.800 -0.091 0.000 1.104 273 F CA 1.595 59.557 58.000 -0.064 0.000 1.232 273 F CB -0.323 38.625 39.000 -0.087 0.000 0.987 273 F HN -0.004 nan 8.300 nan 0.000 0.475 274 L N 0.072 121.173 121.223 -0.204 0.000 2.012 274 L HA -0.235 4.105 4.340 0.000 0.000 0.210 274 L C 2.833 179.504 176.870 -0.331 0.000 1.073 274 L CA 1.394 55.925 54.840 -0.514 0.000 0.748 274 L CB -1.245 40.202 42.059 -1.020 0.000 0.891 274 L HN 0.279 nan 8.230 nan 0.000 0.431 275 A N -0.634 122.154 122.820 -0.053 0.000 1.972 275 A HA -0.209 4.111 4.320 0.000 0.000 0.219 275 A C 1.780 179.383 177.584 0.032 0.000 1.169 275 A CA 1.716 53.851 52.037 0.162 0.000 0.635 275 A CB -0.466 18.667 19.000 0.220 0.000 0.810 275 A HN 0.362 nan 8.150 nan 0.000 0.446 276 D N -0.966 119.403 120.400 -0.052 0.000 2.378 276 D HA 0.140 4.780 4.640 0.000 0.000 0.222 276 D C 1.453 177.670 176.300 -0.138 0.000 0.980 276 D CA 1.250 55.206 54.000 -0.072 0.000 0.907 276 D CB -0.170 40.592 40.800 -0.064 0.000 0.899 276 D HN 0.644 nan 8.370 nan 0.000 0.527 277 G N -0.570 108.113 108.800 -0.196 0.000 2.157 277 G HA2 -0.106 3.854 3.960 0.000 0.000 0.248 277 G HA3 -0.106 3.854 3.960 0.000 0.000 0.248 277 G C 0.843 175.539 174.900 -0.340 0.000 0.979 277 G CA 0.253 45.232 45.100 -0.201 0.000 0.650 277 G HN 0.874 nan 8.290 nan 0.000 0.529 278 G N -1.619 106.779 108.800 -0.670 0.000 2.484 278 G HA2 0.043 4.003 3.960 0.000 0.000 0.225 278 G HA3 0.043 4.003 3.960 0.000 0.000 0.225 278 G C 0.420 174.978 174.900 -0.570 0.000 1.250 278 G CA 0.160 44.645 45.100 -1.025 0.000 0.926 278 G HN 1.568 nan 8.290 nan 0.000 0.581 279 C N 1.034 120.267 119.300 -0.112 0.000 2.651 279 C HA 0.572 5.032 4.460 0.000 0.000 0.410 279 C C 1.386 176.414 174.990 0.064 0.000 1.372 279 C CA 0.704 59.817 59.018 0.158 0.000 1.707 279 C CB -0.176 27.678 27.740 0.190 0.000 2.501 279 C HN 0.965 nan 8.230 nan 0.000 0.598 280 S N 2.856 118.620 115.700 0.106 0.000 2.465 280 S HA 0.472 4.942 4.470 0.000 0.000 0.279 280 S C 0.710 175.328 174.600 0.030 0.000 1.201 280 S CA -0.321 57.906 58.200 0.045 0.000 1.053 280 S CB 0.348 63.573 63.200 0.041 0.000 0.953 280 S HN 1.058 nan 8.310 nan 0.000 0.488 281 G N 3.056 111.858 108.800 0.003 0.000 2.138 281 G HA2 0.346 4.306 3.960 0.000 0.000 0.244 281 G HA3 0.346 4.306 3.960 0.000 0.000 0.244 281 G C 1.241 176.125 174.900 -0.026 0.000 1.166 281 G CA 0.142 45.237 45.100 -0.009 0.000 0.902 281 G HN 1.909 nan 8.290 nan 0.000 0.460 282 G N 1.249 110.036 108.800 -0.022 0.000 2.189 282 G HA2 -0.038 3.922 3.960 0.000 0.000 0.267 282 G HA3 -0.038 3.922 3.960 0.000 0.000 0.267 282 G C 1.343 176.186 174.900 -0.094 0.000 0.975 282 G CA 1.240 46.316 45.100 -0.041 0.000 0.644 282 G HN 1.828 nan 8.290 nan 0.000 0.537 283 A N -1.382 121.351 122.820 -0.146 0.000 2.021 283 A HA 0.564 4.885 4.320 0.000 0.000 0.216 283 A C 0.679 177.869 177.584 -0.657 0.000 1.163 283 A CA 1.323 53.105 52.037 -0.425 0.000 0.676 283 A CB 0.104 18.793 19.000 -0.520 0.000 0.818 283 A HN 0.822 nan 8.150 nan 0.000 0.453 284 Y N -1.169 119.136 120.300 0.008 0.000 2.457 284 Y HA 0.348 4.898 4.550 0.000 0.000 0.343 284 Y C 0.233 176.130 175.900 -0.005 0.000 0.994 284 Y CA -1.377 56.719 58.100 -0.006 0.000 1.031 284 Y CB 1.534 39.980 38.460 -0.024 0.000 1.246 284 Y HN 0.081 nan 8.280 nan 0.000 0.449 285 D N 1.725 122.217 120.400 0.153 0.000 2.162 285 D HA 0.108 4.748 4.640 0.000 0.000 0.205 285 D C 0.098 176.373 176.300 -0.042 0.000 0.964 285 D CA 1.553 55.597 54.000 0.075 0.000 0.847 285 D CB 0.805 41.696 40.800 0.152 0.000 0.988 285 D HN 0.358 nan 8.370 nan 0.000 0.480 286 I N 0.985 121.504 120.570 -0.085 0.000 2.582 286 I HA 0.322 4.492 4.170 0.000 0.000 0.292 286 I C -0.696 175.295 176.117 -0.210 0.000 1.066 286 I CA -0.615 60.536 61.300 -0.248 0.000 1.053 286 I CB 2.881 40.578 38.000 -0.504 0.000 1.241 286 I HN -0.307 nan 8.210 nan 0.000 0.421 287 I N 6.633 127.071 120.570 -0.221 0.000 2.410 287 I HA 0.425 4.595 4.170 0.000 0.000 0.286 287 I C -0.520 175.448 176.117 -0.248 0.000 1.009 287 I CA -0.467 60.673 61.300 -0.267 0.000 1.111 287 I CB 1.708 39.569 38.000 -0.231 0.000 1.262 287 I HN 0.338 nan 8.210 nan 0.000 0.443 288 I N 5.456 125.869 120.570 -0.262 0.000 2.304 288 I HA 0.234 4.404 4.170 0.000 0.000 0.291 288 I C -0.289 175.715 176.117 -0.189 0.000 1.018 288 I CA -0.382 60.803 61.300 -0.192 0.000 1.260 288 I CB 1.178 39.083 38.000 -0.159 0.000 1.390 288 I HN 0.568 nan 8.210 nan 0.000 0.475 289 C N 5.176 124.412 119.300 -0.107 0.000 2.158 289 C HA 0.197 4.657 4.460 0.000 0.000 0.350 289 C C 0.619 175.651 174.990 0.070 0.000 1.064 289 C CA -0.509 58.519 59.018 0.015 0.000 1.507 289 C CB -1.111 26.675 27.740 0.076 0.000 1.934 289 C HN 0.604 nan 8.230 nan 0.000 0.479 290 D N 2.010 122.437 120.400 0.045 0.000 2.344 290 D HA 0.075 4.715 4.640 0.000 0.000 0.244 290 D C 0.656 177.045 176.300 0.149 0.000 1.134 290 D CA 0.528 54.571 54.000 0.071 0.000 0.930 290 D CB 0.672 41.493 40.800 0.034 0.000 1.175 290 D HN 0.556 nan 8.370 nan 0.000 0.437 291 E N 1.139 121.418 120.200 0.132 0.000 2.269 291 E HA -0.225 4.125 4.350 0.000 0.000 0.223 291 E C 1.261 177.770 176.600 -0.152 0.000 1.244 291 E CA 0.658 57.087 56.400 0.048 0.000 0.713 291 E CB -2.363 27.355 29.700 0.029 0.000 1.178 291 E HN 0.564 nan 8.360 nan 0.000 0.370 292 C N -1.160 118.144 119.300 0.007 0.000 2.511 292 C HA 0.007 4.467 4.460 0.000 0.000 0.277 292 C C 2.148 177.112 174.990 -0.043 0.000 1.451 292 C CA 0.465 59.470 59.018 -0.022 0.000 1.735 292 C CB -1.110 26.662 27.740 0.053 0.000 1.704 292 C HN 0.632 nan 8.230 nan 0.000 0.571 293 H N 0.291 119.383 119.070 0.037 0.000 2.529 293 H HA 0.125 4.682 4.556 0.000 0.000 0.277 293 H C 0.636 175.968 175.328 0.007 0.000 0.999 293 H CA 0.692 56.757 56.048 0.029 0.000 1.256 293 H CB -0.696 29.074 29.762 0.014 0.000 1.402 293 H HN 0.423 nan 8.280 nan 0.000 0.566 294 S N 2.106 117.429 115.700 -0.629 0.000 2.546 294 S HA 0.041 4.511 4.470 0.000 0.000 0.290 294 S C 1.054 175.490 174.600 -0.274 0.000 1.290 294 S CA 0.532 58.496 58.200 -0.393 0.000 1.069 294 S CB 0.743 63.711 63.200 -0.388 0.000 0.846 294 S HN 0.680 nan 8.310 nan 0.000 0.495 295 T N -1.307 113.112 114.554 -0.226 0.000 3.215 295 T HA 0.113 4.463 4.350 0.000 0.000 0.271 295 T C 0.121 174.590 174.700 -0.384 0.000 1.012 295 T CA -0.812 61.051 62.100 -0.395 0.000 0.899 295 T CB -0.427 68.283 68.868 -0.264 0.000 1.089 295 T HN 0.715 nan 8.240 nan 0.000 0.552 296 D N 1.486 121.711 120.400 -0.292 0.000 2.362 296 D HA 0.042 4.682 4.640 0.000 0.000 0.242 296 D C 1.329 177.433 176.300 -0.327 0.000 1.132 296 D CA 0.045 53.893 54.000 -0.252 0.000 0.907 296 D CB 1.664 42.359 40.800 -0.176 0.000 1.195 296 D HN 0.261 nan 8.370 nan 0.000 0.429 297 S N 1.779 117.311 115.700 -0.281 0.000 2.382 297 S HA -0.206 4.265 4.470 0.000 0.000 0.228 297 S C 1.722 176.165 174.600 -0.261 0.000 1.027 297 S CA 1.461 59.486 58.200 -0.292 0.000 0.991 297 S CB -0.818 62.241 63.200 -0.235 0.000 0.823 297 S HN 0.635 nan 8.310 nan 0.000 0.469 298 T N 2.041 116.478 114.554 -0.195 0.000 2.777 298 T HA -0.064 4.286 4.350 0.000 0.000 0.266 298 T C 1.979 176.533 174.700 -0.244 0.000 1.040 298 T CA 1.878 63.896 62.100 -0.138 0.000 1.141 298 T CB -0.945 67.890 68.868 -0.055 0.000 0.868 298 T HN 0.573 nan 8.240 nan 0.000 0.444 299 T N 2.108 116.436 114.554 -0.376 0.000 2.737 299 T HA 0.070 4.420 4.350 0.000 0.000 0.265 299 T C 2.011 176.337 174.700 -0.623 0.000 1.038 299 T CA 0.835 62.501 62.100 -0.724 0.000 1.144 299 T CB -0.393 68.090 68.868 -0.642 0.000 0.866 299 T HN 0.293 nan 8.240 nan 0.000 0.434 300 I N 0.662 120.904 120.570 -0.546 0.000 2.179 300 I HA -0.147 4.023 4.170 0.000 0.000 0.242 300 I C 2.296 178.128 176.117 -0.475 0.000 1.088 300 I CA 0.934 61.825 61.300 -0.682 0.000 1.357 300 I CB -0.289 37.156 38.000 -0.924 0.000 1.051 300 I HN 0.168 nan 8.210 nan 0.000 0.409 301 L N 0.933 121.938 121.223 -0.363 0.000 2.141 301 L HA -0.019 4.321 4.340 0.000 0.000 0.209 301 L C 2.245 179.033 176.870 -0.137 0.000 1.094 301 L CA 1.998 56.690 54.840 -0.247 0.000 0.763 301 L CB -1.159 40.763 42.059 -0.229 0.000 0.908 301 L HN 0.164 nan 8.230 nan 0.000 0.437 302 G N -0.358 108.366 108.800 -0.128 0.000 2.402 302 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 302 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 302 G C 1.629 176.603 174.900 0.123 0.000 1.162 302 G CA 0.962 46.118 45.100 0.094 0.000 0.777 302 G HN 0.439 nan 8.290 nan 0.000 0.539 303 I N 1.287 121.829 120.570 -0.046 0.000 2.315 303 I HA -0.067 4.103 4.170 0.000 0.000 0.248 303 I C 3.052 179.259 176.117 0.150 0.000 1.117 303 I CA 0.897 62.235 61.300 0.062 0.000 1.404 303 I CB -0.434 37.607 38.000 0.067 0.000 1.071 303 I HN 0.253 nan 8.210 nan 0.000 0.419 304 G N 0.336 109.244 108.800 0.180 0.000 2.422 304 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 304 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 304 G C 1.649 176.610 174.900 0.102 0.000 1.146 304 G CA 1.379 46.578 45.100 0.165 0.000 0.769 304 G HN 0.281 nan 8.290 nan 0.000 0.547 305 T N 0.710 115.327 114.554 0.105 0.000 2.777 305 T HA -0.076 4.275 4.350 0.000 0.000 0.266 305 T C 2.561 177.382 174.700 0.202 0.000 1.040 305 T CA 1.054 63.231 62.100 0.129 0.000 1.141 305 T CB -0.236 68.720 68.868 0.146 0.000 0.868 305 T HN 0.057 nan 8.240 nan 0.000 0.444 306 V N 1.614 121.674 119.914 0.243 0.000 2.332 306 V HA -0.146 3.974 4.120 0.000 0.000 0.248 306 V C 2.421 178.581 176.094 0.110 0.000 1.055 306 V CA 1.584 63.980 62.300 0.159 0.000 1.038 306 V CB -0.620 31.207 31.823 0.006 0.000 0.651 306 V HN 0.439 nan 8.190 nan 0.000 0.450 307 L N -0.312 120.968 121.223 0.095 0.000 2.179 307 L HA -0.110 4.230 4.340 0.000 0.000 0.208 307 L C 2.236 179.139 176.870 0.055 0.000 1.096 307 L CA 1.663 56.555 54.840 0.087 0.000 0.779 307 L CB -0.473 41.625 42.059 0.065 0.000 0.922 307 L HN 0.381 nan 8.230 nan 0.000 0.443 308 D N -0.679 119.749 120.400 0.046 0.000 2.234 308 D HA -0.158 4.482 4.640 0.000 0.000 0.205 308 D C 2.120 178.406 176.300 -0.023 0.000 0.962 308 D CA 1.092 55.099 54.000 0.012 0.000 0.855 308 D CB 0.335 41.145 40.800 0.017 0.000 0.951 308 D HN 0.283 nan 8.370 nan 0.000 0.500 309 Q N -0.937 118.862 119.800 -0.002 0.000 2.391 309 Q HA 0.306 4.646 4.340 0.000 0.000 0.243 309 Q C 2.005 177.974 176.000 -0.052 0.000 0.874 309 Q CA 0.389 56.182 55.803 -0.016 0.000 0.950 309 Q CB 0.457 29.215 28.738 0.032 0.000 1.103 309 Q HN 0.227 nan 8.270 nan 0.000 0.544 310 A N 1.900 124.692 122.820 -0.047 0.000 1.865 310 A HA -0.294 4.027 4.320 0.000 0.000 0.217 310 A C 1.923 179.360 177.584 -0.245 0.000 1.191 310 A CA 1.959 53.967 52.037 -0.048 0.000 0.623 310 A CB -0.544 18.514 19.000 0.096 0.000 0.826 310 A HN 0.419 nan 8.150 nan 0.000 0.444 311 E N -0.987 118.809 120.200 -0.674 0.000 2.058 311 E HA -0.174 4.177 4.350 0.000 0.000 0.194 311 E C 1.907 178.302 176.600 -0.341 0.000 0.997 311 E CA 1.749 57.647 56.400 -0.837 0.000 0.801 311 E CB -0.245 28.741 29.700 -1.191 0.000 0.746 311 E HN 0.517 nan 8.360 nan 0.000 0.450 312 T N 0.037 114.442 114.554 -0.249 0.000 2.929 312 T HA -0.046 4.304 4.350 0.000 0.000 0.271 312 T C 1.402 176.051 174.700 -0.086 0.000 1.085 312 T CA 0.990 63.009 62.100 -0.135 0.000 1.125 312 T CB -0.082 68.725 68.868 -0.103 0.000 0.874 312 T HN 0.297 nan 8.240 nan 0.000 0.494 313 A N 0.117 122.892 122.820 -0.074 0.000 2.307 313 A HA 0.569 4.890 4.320 0.000 0.000 0.218 313 A C 1.824 179.404 177.584 -0.008 0.000 1.228 313 A CA 0.599 52.623 52.037 -0.021 0.000 0.857 313 A CB -0.485 18.528 19.000 0.022 0.000 0.897 313 A HN 0.613 nan 8.150 nan 0.000 0.495 314 G N -1.782 107.000 108.800 -0.030 0.000 2.157 314 G HA2 0.094 4.054 3.960 0.000 0.000 0.239 314 G HA3 0.094 4.054 3.960 0.000 0.000 0.239 314 G C 0.493 175.418 174.900 0.043 0.000 0.982 314 G CA 0.208 45.308 45.100 -0.001 0.000 0.650 314 G HN 1.568 nan 8.290 nan 0.000 0.527 315 A N -0.178 122.681 122.820 0.065 0.000 2.466 315 A HA 0.666 4.986 4.320 0.000 0.000 0.238 315 A C 1.402 179.111 177.584 0.208 0.000 1.074 315 A CA 0.812 52.931 52.037 0.136 0.000 0.774 315 A CB 0.262 19.373 19.000 0.185 0.000 1.015 315 A HN 0.355 nan 8.150 nan 0.000 0.498 316 R N -0.581 119.987 120.500 0.113 0.000 2.206 316 R HA 0.211 4.551 4.340 0.000 0.000 0.198 316 R C -0.771 175.488 176.300 -0.068 0.000 0.986 316 R CA 0.400 56.539 56.100 0.064 0.000 1.029 316 R CB 0.033 30.305 30.300 -0.047 0.000 0.966 316 R HN 0.592 nan 8.270 nan 0.000 0.487 317 L N 0.259 121.393 121.223 -0.149 0.000 2.543 317 L HA 0.344 4.684 4.340 0.000 0.000 0.265 317 L C -1.535 175.168 176.870 -0.278 0.000 0.945 317 L CA -0.615 54.017 54.840 -0.347 0.000 0.869 317 L CB 2.332 44.150 42.059 -0.401 0.000 1.294 317 L HN -0.325 nan 8.230 nan 0.000 0.405 318 V N 5.400 125.108 119.914 -0.343 0.000 2.398 318 V HA 0.574 4.694 4.120 0.000 0.000 0.286 318 V C -0.404 175.525 176.094 -0.276 0.000 1.026 318 V CA -0.635 61.527 62.300 -0.230 0.000 0.868 318 V CB 1.752 33.504 31.823 -0.120 0.000 0.982 318 V HN 0.525 nan 8.190 nan 0.000 0.443 319 V N 6.731 126.508 119.914 -0.229 0.000 2.347 319 V HA 0.407 4.527 4.120 0.000 0.000 0.280 319 V C -0.090 175.904 176.094 -0.167 0.000 1.021 319 V CA -0.464 61.713 62.300 -0.204 0.000 0.847 319 V CB 1.536 33.279 31.823 -0.134 0.000 0.990 319 V HN 0.647 nan 8.190 nan 0.000 0.444 320 L N 5.279 126.373 121.223 -0.214 0.000 2.270 320 L HA 0.672 5.012 4.340 0.000 0.000 0.286 320 L C 0.518 177.399 176.870 0.019 0.000 1.059 320 L CA -0.097 54.673 54.840 -0.115 0.000 0.839 320 L CB 0.832 42.772 42.059 -0.199 0.000 1.221 320 L HN 0.709 nan 8.230 nan 0.000 0.431 321 A N 2.675 125.524 122.820 0.049 0.000 2.304 321 A HA 0.802 5.122 4.320 0.000 0.000 0.323 321 A C -0.140 177.539 177.584 0.159 0.000 1.195 321 A CA -0.355 51.736 52.037 0.091 0.000 0.826 321 A CB 1.558 20.577 19.000 0.033 0.000 1.184 321 A HN 0.533 nan 8.150 nan 0.000 0.496 322 T N 0.184 114.863 114.554 0.208 0.000 2.830 322 T HA 0.516 4.866 4.350 0.000 0.000 0.322 322 T C 0.494 175.266 174.700 0.120 0.000 1.501 322 T CA 0.421 62.650 62.100 0.215 0.000 1.036 322 T CB 1.247 70.296 68.868 0.302 0.000 1.379 322 T HN 1.381 nan 8.240 nan 0.000 0.493 323 A N 1.373 124.217 122.820 0.040 0.000 2.132 323 A HA 0.345 4.666 4.320 0.000 0.000 0.213 323 A C 1.070 178.587 177.584 -0.113 0.000 1.154 323 A CA 1.179 53.200 52.037 -0.027 0.000 0.753 323 A CB -0.180 18.799 19.000 -0.035 0.000 0.826 323 A HN 1.160 nan 8.150 nan 0.000 0.469 324 T N -0.947 113.491 114.554 -0.194 0.000 3.305 324 T HA 0.458 4.808 4.350 0.000 0.000 0.348 324 T C -2.961 171.609 174.700 -0.218 0.000 1.394 324 T CA -1.779 60.172 62.100 -0.248 0.000 1.549 324 T CB 1.381 70.043 68.868 -0.343 0.000 0.962 324 T HN 0.098 nan 8.240 nan 0.000 0.609 325 P HA 0.347 nan 4.420 nan 0.000 0.273 325 P C -2.786 174.413 177.300 -0.168 0.000 1.250 325 P CA -1.627 61.311 63.100 -0.269 0.000 0.793 325 P CB -0.372 30.877 31.700 -0.752 0.000 1.011 326 P HA 0.076 nan 4.420 nan 0.000 0.264 326 P C 1.006 178.214 177.300 -0.153 0.000 1.193 326 P CA 1.509 64.555 63.100 -0.089 0.000 0.763 326 P CB -0.274 31.364 31.700 -0.103 0.000 0.810 327 G N 1.793 110.550 108.800 -0.072 0.000 2.213 327 G HA2 -0.239 3.721 3.960 0.000 0.000 0.236 327 G HA3 -0.239 3.721 3.960 0.000 0.000 0.236 327 G C 0.419 175.324 174.900 0.008 0.000 0.991 327 G CA 0.223 45.301 45.100 -0.036 0.000 0.629 327 G HN 0.770 nan 8.290 nan 0.000 0.517 328 S N -0.224 115.451 115.700 -0.042 0.000 2.600 328 S HA 0.739 5.210 4.470 0.000 0.000 0.265 328 S C 0.385 174.971 174.600 -0.024 0.000 1.325 328 S CA 0.242 58.408 58.200 -0.056 0.000 1.002 328 S CB 2.081 65.215 63.200 -0.111 0.000 0.921 328 S HN 1.926 nan 8.310 nan 0.000 0.554 329 V N -1.885 118.010 119.914 -0.032 0.000 3.040 329 V HA 0.695 4.815 4.120 0.000 0.000 0.312 329 V C -0.193 175.871 176.094 -0.049 0.000 1.115 329 V CA -0.978 61.306 62.300 -0.028 0.000 0.998 329 V CB 1.271 33.089 31.823 -0.008 0.000 1.042 329 V HN 0.904 nan 8.190 nan 0.000 0.433 330 T N 3.247 117.765 114.554 -0.059 0.000 2.779 330 T HA 0.524 4.874 4.350 0.000 0.000 0.296 330 T C 0.082 174.748 174.700 -0.057 0.000 0.938 330 T CA 0.089 62.144 62.100 -0.077 0.000 1.119 330 T CB 0.651 69.454 68.868 -0.108 0.000 0.891 330 T HN 1.314 nan 8.240 nan 0.000 0.526 331 V N 2.226 122.110 119.914 -0.049 0.000 2.769 331 V HA 0.707 4.827 4.120 0.000 0.000 0.312 331 V C -2.628 173.464 176.094 -0.005 0.000 1.058 331 V CA -2.989 59.295 62.300 -0.026 0.000 0.952 331 V CB 0.689 32.496 31.823 -0.027 0.000 1.019 331 V HN 0.508 nan 8.190 nan 0.000 0.445 332 P HA 0.174 nan 4.420 nan 0.000 0.264 332 P C -0.957 176.403 177.300 0.100 0.000 1.183 332 P CA 0.607 63.741 63.100 0.057 0.000 0.763 332 P CB -0.050 31.681 31.700 0.051 0.000 0.807 333 H N 4.551 123.624 119.070 0.004 0.000 2.646 333 H HA 0.290 4.846 4.556 0.000 0.000 0.328 333 H C -1.928 173.414 175.328 0.023 0.000 0.998 333 H CA -2.629 53.423 56.048 0.007 0.000 1.225 333 H CB 1.048 30.808 29.762 -0.003 0.000 1.457 333 H HN 0.173 nan 8.280 nan 0.000 0.505 334 P HA -0.237 nan 4.420 nan 0.000 0.221 334 P C 0.554 177.872 177.300 0.031 0.000 1.160 334 P CA 1.626 64.832 63.100 0.177 0.000 0.933 334 P CB 0.392 32.208 31.700 0.193 0.000 0.793 335 N N -1.037 117.584 118.700 -0.133 0.000 2.501 335 N HA 0.019 4.759 4.740 0.000 0.000 0.195 335 N C -0.041 175.299 175.510 -0.284 0.000 1.213 335 N CA 0.636 53.540 53.050 -0.242 0.000 0.864 335 N CB -0.260 38.074 38.487 -0.255 0.000 0.999 335 N HN 0.221 nan 8.380 nan 0.000 0.454 336 I N 1.011 121.439 120.570 -0.236 0.000 2.468 336 I HA 0.127 4.297 4.170 0.000 0.000 0.284 336 I C -0.062 176.074 176.117 0.032 0.000 1.038 336 I CA -0.821 60.422 61.300 -0.095 0.000 1.083 336 I CB 1.499 39.439 38.000 -0.099 0.000 1.223 336 I HN 0.116 nan 8.210 nan 0.000 0.443 337 E N 6.077 126.316 120.200 0.065 0.000 2.227 337 E HA 0.410 4.760 4.350 0.000 0.000 0.282 337 E C -0.877 175.823 176.600 0.168 0.000 1.015 337 E CA -0.605 55.855 56.400 0.099 0.000 0.823 337 E CB 1.334 31.076 29.700 0.070 0.000 1.081 337 E HN 0.452 nan 8.360 nan 0.000 0.396 338 E N 3.124 123.456 120.200 0.219 0.000 2.092 338 E HA 0.264 4.614 4.350 0.000 0.000 0.271 338 E C -0.945 175.827 176.600 0.288 0.000 0.919 338 E CA -0.813 55.813 56.400 0.377 0.000 0.760 338 E CB 1.828 31.818 29.700 0.483 0.000 1.106 338 E HN 0.331 nan 8.360 nan 0.000 0.408 339 V N 2.224 122.189 119.914 0.085 0.000 2.357 339 V HA 0.364 4.485 4.120 0.000 0.000 0.284 339 V C 0.324 176.071 176.094 -0.579 0.000 1.018 339 V CA -0.952 61.261 62.300 -0.145 0.000 0.841 339 V CB 1.353 33.114 31.823 -0.104 0.000 0.991 339 V HN 0.757 nan 8.190 nan 0.000 0.437 340 A N 6.155 128.539 122.820 -0.726 0.000 2.488 340 A HA 0.519 4.839 4.320 0.000 0.000 0.249 340 A C 0.069 177.357 177.584 -0.494 0.000 1.083 340 A CA -0.158 51.278 52.037 -1.002 0.000 0.768 340 A CB -0.066 18.636 19.000 -0.497 0.000 1.017 340 A HN 0.847 nan 8.150 nan 0.000 0.496 341 L N 2.800 123.766 121.223 -0.428 0.000 2.461 341 L HA 0.267 4.607 4.340 0.000 0.000 0.272 341 L C 1.168 177.969 176.870 -0.115 0.000 1.197 341 L CA -0.035 54.688 54.840 -0.195 0.000 0.836 341 L CB 0.699 42.702 42.059 -0.092 0.000 1.105 341 L HN 0.974 nan 8.230 nan 0.000 0.477 342 S N 0.715 116.372 115.700 -0.071 0.000 2.795 342 S HA 0.318 4.789 4.470 0.000 0.000 0.308 342 S C 0.310 174.903 174.600 -0.011 0.000 1.098 342 S CA -0.846 57.332 58.200 -0.037 0.000 0.934 342 S CB 1.028 64.206 63.200 -0.037 0.000 1.300 342 S HN 0.587 nan 8.310 nan 0.000 0.566 343 N N 0.154 118.851 118.700 -0.004 0.000 2.398 343 N HA 0.173 4.914 4.740 0.000 0.000 0.188 343 N C -0.763 174.747 175.510 -0.000 0.000 1.122 343 N CA 0.218 53.271 53.050 0.005 0.000 0.866 343 N CB 0.174 38.665 38.487 0.007 0.000 0.970 343 N HN 0.482 nan 8.380 nan 0.000 0.462 344 T N 0.732 115.280 114.554 -0.010 0.000 2.762 344 T HA 0.634 4.985 4.350 0.000 0.000 0.303 344 T C 0.287 174.976 174.700 -0.018 0.000 0.977 344 T CA -0.592 61.500 62.100 -0.013 0.000 0.961 344 T CB 1.026 69.883 68.868 -0.018 0.000 0.944 344 T HN 0.246 nan 8.240 nan 0.000 0.481 345 G N 2.282 111.074 108.800 -0.013 0.000 2.384 345 G HA2 0.334 4.295 3.960 0.000 0.000 0.300 345 G HA3 0.334 4.295 3.960 0.000 0.000 0.300 345 G C -0.304 174.591 174.900 -0.009 0.000 1.582 345 G CA -0.797 44.292 45.100 -0.018 0.000 0.875 345 G HN 0.348 nan 8.290 nan 0.000 0.628 346 E N -0.412 119.780 120.200 -0.014 0.000 2.435 346 E HA 0.171 4.521 4.350 0.000 0.000 0.195 346 E C 0.862 177.463 176.600 0.001 0.000 1.029 346 E CA 0.591 56.986 56.400 -0.007 0.000 0.865 346 E CB 0.266 29.959 29.700 -0.012 0.000 0.833 346 E HN 0.493 nan 8.360 nan 0.000 0.510 347 I N 2.055 122.627 120.570 0.003 0.000 2.359 347 I HA 0.253 4.423 4.170 0.000 0.000 0.284 347 I C -2.435 173.721 176.117 0.064 0.000 1.018 347 I CA -2.740 58.573 61.300 0.022 0.000 1.173 347 I CB 1.611 39.611 38.000 -0.000 0.000 1.326 347 I HN -0.268 nan 8.210 nan 0.000 0.462 348 P HA 0.058 nan 4.420 nan 0.000 0.267 348 P C -0.910 176.500 177.300 0.183 0.000 1.205 348 P CA 0.184 63.335 63.100 0.085 0.000 0.765 348 P CB 0.229 31.948 31.700 0.032 0.000 0.828 349 F N 5.013 124.973 119.950 0.018 0.000 2.941 349 F HA 0.294 4.821 4.527 0.000 0.000 0.359 349 F C -0.674 175.234 175.800 0.180 0.000 1.231 349 F CA -0.683 57.372 58.000 0.092 0.000 1.089 349 F CB 0.421 39.492 39.000 0.118 0.000 1.407 349 F HN 0.263 nan 8.300 nan 0.000 0.538 350 Y N 4.127 124.208 120.300 -0.365 0.000 3.108 350 Y HA -0.146 4.404 4.550 0.000 0.000 0.208 350 Y C 1.440 177.253 175.900 -0.145 0.000 1.245 350 Y CA 1.349 59.249 58.100 -0.333 0.000 1.171 350 Y CB -1.186 36.943 38.460 -0.552 0.000 1.331 350 Y HN 1.120 nan 8.280 nan 0.000 0.534 351 G N -1.915 106.883 108.800 -0.004 0.000 2.225 351 G HA2 -0.296 3.664 3.960 0.000 0.000 0.254 351 G HA3 -0.296 3.664 3.960 0.000 0.000 0.254 351 G C 0.666 175.594 174.900 0.046 0.000 0.988 351 G CA 0.507 45.618 45.100 0.019 0.000 0.625 351 G HN 0.316 nan 8.290 nan 0.000 0.527 352 K N -0.094 120.359 120.400 0.089 0.000 2.270 352 K HA 0.952 5.272 4.320 0.000 0.000 0.248 352 K C 0.052 176.723 176.600 0.118 0.000 1.076 352 K CA 0.077 56.421 56.287 0.094 0.000 0.957 352 K CB 1.313 33.877 32.500 0.106 0.000 1.400 352 K HN 1.001 nan 8.250 nan 0.000 0.573 353 A N 0.451 123.326 122.820 0.093 0.000 2.539 353 A HA 0.692 5.012 4.320 0.000 0.000 0.296 353 A C -1.099 176.502 177.584 0.028 0.000 1.073 353 A CA -0.696 51.388 52.037 0.077 0.000 0.700 353 A CB 0.824 19.845 19.000 0.034 0.000 1.296 353 A HN 0.504 nan 8.150 nan 0.000 0.405 354 I N 2.171 122.739 120.570 -0.004 0.000 2.312 354 I HA 0.301 4.471 4.170 0.000 0.000 0.290 354 I C -2.322 173.748 176.117 -0.078 0.000 1.008 354 I CA -2.062 59.185 61.300 -0.088 0.000 1.226 354 I CB 1.841 39.738 38.000 -0.172 0.000 1.371 354 I HN 0.315 nan 8.210 nan 0.000 0.468 355 P HA 0.008 nan 4.420 nan 0.000 0.262 355 P C 0.801 178.049 177.300 -0.086 0.000 1.199 355 P CA -0.004 63.053 63.100 -0.072 0.000 0.763 355 P CB 0.637 32.293 31.700 -0.073 0.000 0.790 356 I N 4.158 124.688 120.570 -0.065 0.000 2.530 356 I HA -0.226 3.944 4.170 0.000 0.000 0.257 356 I C 1.772 177.846 176.117 -0.071 0.000 1.179 356 I CA 1.468 62.729 61.300 -0.066 0.000 1.440 356 I CB -0.423 37.553 38.000 -0.041 0.000 1.087 356 I HN 0.380 nan 8.210 nan 0.000 0.440 357 E N 0.223 120.384 120.200 -0.065 0.000 2.502 357 E HA 0.007 4.357 4.350 0.000 0.000 0.194 357 E C 1.587 178.138 176.600 -0.081 0.000 1.062 357 E CA 0.853 57.219 56.400 -0.055 0.000 0.867 357 E CB -0.164 29.514 29.700 -0.037 0.000 0.888 357 E HN 0.496 nan 8.360 nan 0.000 0.510 358 A N 1.523 124.263 122.820 -0.133 0.000 2.267 358 A HA 0.252 4.572 4.320 0.000 0.000 0.213 358 A C 1.861 179.191 177.584 -0.423 0.000 1.192 358 A CA 0.340 52.258 52.037 -0.199 0.000 0.851 358 A CB -0.294 18.594 19.000 -0.186 0.000 0.881 358 A HN 0.420 nan 8.150 nan 0.000 0.494 359 I N -6.492 113.858 120.570 -0.368 0.000 4.453 359 I HA 0.373 4.544 4.170 0.000 0.000 0.342 359 I C 1.342 177.391 176.117 -0.113 0.000 1.341 359 I CA -0.243 60.757 61.300 -0.501 0.000 1.217 359 I CB 0.217 37.992 38.000 -0.376 0.000 1.545 359 I HN 0.035 nan 8.210 nan 0.000 0.557 360 R N 2.284 122.750 120.500 -0.056 0.000 2.073 360 R HA 0.185 4.525 4.340 0.000 0.000 0.229 360 R C 0.953 177.287 176.300 0.055 0.000 1.120 360 R CA 1.271 57.373 56.100 0.003 0.000 0.967 360 R CB 0.134 30.429 30.300 -0.008 0.000 0.862 360 R HN 0.494 nan 8.270 nan 0.000 0.436 361 G N -0.617 108.238 108.800 0.091 0.000 2.470 361 G HA2 0.537 4.497 3.960 0.000 0.000 0.320 361 G HA3 0.537 4.497 3.960 0.000 0.000 0.320 361 G C -0.652 174.360 174.900 0.186 0.000 1.245 361 G CA 0.118 45.281 45.100 0.105 0.000 0.935 361 G HN 0.512 nan 8.290 nan 0.000 0.476 362 G N 1.155 110.013 108.800 0.096 0.000 2.342 362 G HA2 0.035 3.995 3.960 0.000 0.000 0.220 362 G HA3 0.035 3.995 3.960 0.000 0.000 0.220 362 G C -0.841 173.982 174.900 -0.129 0.000 1.243 362 G CA -1.030 44.052 45.100 -0.029 0.000 1.083 362 G HN 0.803 nan 8.290 nan 0.000 0.500 363 R N 0.641 120.910 120.500 -0.384 0.000 2.451 363 R HA 0.601 4.941 4.340 0.000 0.000 0.307 363 R C -0.947 175.150 176.300 -0.337 0.000 0.965 363 R CA -0.812 55.161 56.100 -0.211 0.000 0.865 363 R CB 1.510 31.749 30.300 -0.101 0.000 1.174 363 R HN 0.638 nan 8.270 nan 0.000 0.455 364 H N 2.146 121.345 119.070 0.214 0.000 2.821 364 H HA 0.385 4.942 4.556 0.000 0.000 0.373 364 H C -1.204 173.994 175.328 -0.218 0.000 1.165 364 H CA -1.013 55.079 56.048 0.074 0.000 1.154 364 H CB 2.669 32.419 29.762 -0.020 0.000 1.765 364 H HN 0.197 nan 8.280 nan 0.000 0.549 365 L N 2.519 123.522 121.223 -0.366 0.000 2.362 365 L HA 0.499 4.839 4.340 0.000 0.000 0.275 365 L C -1.153 175.441 176.870 -0.460 0.000 0.998 365 L CA -0.410 53.966 54.840 -0.773 0.000 0.820 365 L CB 0.983 42.240 42.059 -1.336 0.000 1.270 365 L HN 0.509 nan 8.230 nan 0.000 0.415 366 I N 5.324 125.626 120.570 -0.448 0.000 2.410 366 I HA 0.304 4.474 4.170 0.000 0.000 0.286 366 I C -1.119 174.877 176.117 -0.201 0.000 1.009 366 I CA -0.376 60.764 61.300 -0.265 0.000 1.111 366 I CB 1.349 39.227 38.000 -0.203 0.000 1.262 366 I HN 0.442 nan 8.210 nan 0.000 0.443 367 F N 5.163 125.172 119.950 0.099 0.000 2.404 367 F HA 0.360 4.887 4.527 0.000 0.000 0.358 367 F C 0.416 176.355 175.800 0.232 0.000 1.120 367 F CA -0.246 57.841 58.000 0.145 0.000 1.144 367 F CB 0.888 39.961 39.000 0.122 0.000 1.133 367 F HN 0.377 nan 8.300 nan 0.000 0.495 368 C N 3.046 122.578 119.300 0.387 0.000 2.470 368 C HA 0.269 4.729 4.460 0.000 0.000 0.341 368 C C 1.681 176.842 174.990 0.285 0.000 1.190 368 C CA -0.572 58.671 59.018 0.375 0.000 1.904 368 C CB 1.395 29.380 27.740 0.408 0.000 2.354 368 C HN 0.906 nan 8.230 nan 0.000 0.509 369 H N 0.163 119.330 119.070 0.161 0.000 2.544 369 H HA 0.093 4.649 4.556 0.000 0.000 0.269 369 H C 0.483 175.851 175.328 0.067 0.000 0.970 369 H CA 1.087 57.190 56.048 0.091 0.000 1.219 369 H CB 0.068 29.873 29.762 0.073 0.000 1.421 369 H HN 0.630 nan 8.280 nan 0.000 0.555 370 S N -0.506 114.899 115.700 -0.490 0.000 2.661 370 S HA 0.380 4.850 4.470 0.000 0.000 0.285 370 S C 0.575 174.968 174.600 -0.345 0.000 1.138 370 S CA -0.984 56.924 58.200 -0.487 0.000 0.855 370 S CB 3.074 65.864 63.200 -0.684 0.000 1.136 370 S HN 0.149 nan 8.310 nan 0.000 0.484 371 K N 0.896 121.025 120.400 -0.451 0.000 2.031 371 K HA 0.003 4.323 4.320 0.000 0.000 0.205 371 K C 1.881 178.228 176.600 -0.421 0.000 1.049 371 K CA 1.113 56.945 56.287 -0.758 0.000 0.939 371 K CB -0.325 31.559 32.500 -1.027 0.000 0.717 371 K HN 0.537 nan 8.250 nan 0.000 0.438 372 K N 1.120 121.359 120.400 -0.269 0.000 2.032 372 K HA -0.201 4.120 4.320 0.000 0.000 0.218 372 K C 2.116 178.666 176.600 -0.083 0.000 1.054 372 K CA 1.498 57.703 56.287 -0.137 0.000 0.941 372 K CB -0.089 32.345 32.500 -0.110 0.000 0.720 372 K HN -0.024 nan 8.250 nan 0.000 0.449 373 K N 0.734 121.083 120.400 -0.085 0.000 2.032 373 K HA -0.142 4.178 4.320 0.000 0.000 0.209 373 K C 2.311 178.944 176.600 0.055 0.000 1.048 373 K CA 1.269 57.554 56.287 -0.003 0.000 0.927 373 K CB -0.841 31.701 32.500 0.070 0.000 0.712 373 K HN 0.262 nan 8.250 nan 0.000 0.441 374 C N 1.490 120.817 119.300 0.044 0.000 2.413 374 C HA -0.135 4.325 4.460 0.000 0.000 0.276 374 C C 2.319 177.385 174.990 0.126 0.000 1.248 374 C CA 0.780 59.866 59.018 0.114 0.000 1.742 374 C CB -0.735 27.099 27.740 0.158 0.000 2.017 374 C HN 0.484 nan 8.230 nan 0.000 0.481 375 D N 0.328 120.789 120.400 0.102 0.000 2.097 375 D HA -0.108 4.532 4.640 0.000 0.000 0.195 375 D C 2.110 178.450 176.300 0.066 0.000 0.989 375 D CA 1.231 55.295 54.000 0.107 0.000 0.827 375 D CB -0.480 40.373 40.800 0.089 0.000 0.966 375 D HN 0.634 nan 8.370 nan 0.000 0.456 376 E N 0.068 120.294 120.200 0.043 0.000 2.106 376 E HA -0.128 4.222 4.350 0.000 0.000 0.192 376 E C 2.044 178.671 176.600 0.044 0.000 0.984 376 E CA 0.243 56.661 56.400 0.032 0.000 0.806 376 E CB 0.018 29.724 29.700 0.009 0.000 0.750 376 E HN 0.073 nan 8.360 nan 0.000 0.458 377 L N 0.828 122.092 121.223 0.068 0.000 2.109 377 L HA -0.012 4.328 4.340 0.000 0.000 0.207 377 L C 2.135 179.041 176.870 0.059 0.000 1.086 377 L CA 1.568 56.458 54.840 0.082 0.000 0.760 377 L CB -0.548 41.597 42.059 0.144 0.000 0.910 377 L HN 0.016 nan 8.230 nan 0.000 0.437 378 A N -0.425 122.431 122.820 0.062 0.000 1.877 378 A HA -0.119 4.202 4.320 0.000 0.000 0.216 378 A C 2.470 180.076 177.584 0.036 0.000 1.186 378 A CA 1.815 53.880 52.037 0.047 0.000 0.620 378 A CB -1.173 17.863 19.000 0.059 0.000 0.822 378 A HN 0.517 nan 8.150 nan 0.000 0.443 379 A N -0.301 122.542 122.820 0.039 0.000 1.883 379 A HA -0.218 4.102 4.320 0.000 0.000 0.217 379 A C 2.173 179.770 177.584 0.023 0.000 1.186 379 A CA 2.150 54.204 52.037 0.029 0.000 0.624 379 A CB -0.495 18.523 19.000 0.029 0.000 0.822 379 A HN 0.560 nan 8.150 nan 0.000 0.444 380 K N -0.397 120.018 120.400 0.024 0.000 2.001 380 K HA -0.058 4.262 4.320 0.000 0.000 0.208 380 K C 1.992 178.601 176.600 0.014 0.000 1.048 380 K CA 1.366 57.664 56.287 0.019 0.000 0.932 380 K CB -0.339 32.175 32.500 0.022 0.000 0.715 380 K HN 0.479 nan 8.250 nan 0.000 0.437 381 L N 1.148 122.379 121.223 0.014 0.000 2.012 381 L HA -0.234 4.106 4.340 0.000 0.000 0.210 381 L C 2.693 179.566 176.870 0.006 0.000 1.073 381 L CA 1.814 56.657 54.840 0.005 0.000 0.748 381 L CB -0.731 41.329 42.059 0.002 0.000 0.891 381 L HN 0.368 nan 8.230 nan 0.000 0.431 382 S N -0.099 115.608 115.700 0.011 0.000 2.368 382 S HA -0.127 4.343 4.470 0.000 0.000 0.225 382 S C 1.938 176.544 174.600 0.009 0.000 1.030 382 S CA 0.975 59.181 58.200 0.011 0.000 0.999 382 S CB -1.189 62.019 63.200 0.014 0.000 0.844 382 S HN 0.440 nan 8.310 nan 0.000 0.459 383 G N 0.209 109.015 108.800 0.010 0.000 2.882 383 G HA2 0.272 4.232 3.960 0.000 0.000 0.206 383 G HA3 0.272 4.232 3.960 0.000 0.000 0.206 383 G C 0.666 175.570 174.900 0.006 0.000 1.155 383 G CA 0.171 45.275 45.100 0.008 0.000 0.800 383 G HN 0.472 nan 8.290 nan 0.000 0.524 384 L N -0.487 120.738 121.223 0.004 0.000 3.069 384 L HA 0.409 4.749 4.340 0.000 0.000 0.271 384 L C 1.612 178.483 176.870 0.001 0.000 1.201 384 L CA 0.597 55.438 54.840 0.001 0.000 1.015 384 L CB 0.702 42.760 42.059 -0.002 0.000 1.371 384 L HN 0.212 nan 8.230 nan 0.000 0.574 385 G N 0.053 108.856 108.800 0.004 0.000 2.141 385 G HA2 -0.254 3.707 3.960 0.000 0.000 0.242 385 G HA3 -0.254 3.707 3.960 0.000 0.000 0.242 385 G C 0.317 175.221 174.900 0.006 0.000 0.982 385 G CA -0.000 45.102 45.100 0.005 0.000 0.662 385 G HN 0.246 nan 8.290 nan 0.000 0.527 386 I N 0.723 121.296 120.570 0.006 0.000 2.359 386 I HA 0.206 4.377 4.170 0.000 0.000 0.294 386 I C 0.351 176.475 176.117 0.013 0.000 0.987 386 I CA -0.942 60.364 61.300 0.010 0.000 1.225 386 I CB 1.421 39.423 38.000 0.004 0.000 1.366 386 I HN 0.055 nan 8.210 nan 0.000 0.466 387 N N 5.969 124.681 118.700 0.019 0.000 2.543 387 N HA 0.184 4.924 4.740 0.000 0.000 0.289 387 N C -0.621 174.900 175.510 0.019 0.000 1.223 387 N CA 0.026 53.086 53.050 0.018 0.000 1.080 387 N CB 0.175 38.674 38.487 0.019 0.000 1.450 387 N HN 0.621 nan 8.380 nan 0.000 0.501 388 A N 2.272 125.101 122.820 0.014 0.000 2.317 388 A HA 0.637 4.957 4.320 0.000 0.000 0.327 388 A C -0.419 177.172 177.584 0.011 0.000 1.178 388 A CA -0.687 51.357 52.037 0.012 0.000 0.817 388 A CB 0.947 19.953 19.000 0.010 0.000 1.189 388 A HN 0.482 nan 8.150 nan 0.000 0.489 389 V N -0.413 119.505 119.914 0.006 0.000 2.709 389 V HA 0.905 5.025 4.120 0.000 0.000 0.308 389 V C -0.015 176.090 176.094 0.019 0.000 1.062 389 V CA -0.461 61.843 62.300 0.008 0.000 0.901 389 V CB 1.185 33.004 31.823 -0.006 0.000 1.003 389 V HN 1.627 nan 8.190 nan 0.000 0.425 390 A N 4.244 127.087 122.820 0.037 0.000 2.290 390 A HA 0.821 5.141 4.320 0.000 0.000 0.310 390 A C -1.147 176.465 177.584 0.048 0.000 1.202 390 A CA -0.513 51.568 52.037 0.074 0.000 0.837 390 A CB 0.740 19.815 19.000 0.125 0.000 1.139 390 A HN 1.536 nan 8.150 nan 0.000 0.509 391 Y N 3.159 123.422 120.300 -0.061 0.000 2.406 391 Y HA 0.626 5.176 4.550 0.000 0.000 0.340 391 Y C -1.000 174.910 175.900 0.016 0.000 0.975 391 Y CA -1.009 57.005 58.100 -0.143 0.000 1.056 391 Y CB 1.403 39.793 38.460 -0.116 0.000 1.210 391 Y HN 0.861 nan 8.280 nan 0.000 0.448 392 Y N 1.879 121.650 120.300 -0.880 0.000 2.914 392 Y HA 0.505 5.056 4.550 0.000 0.000 0.327 392 Y C -1.173 174.334 175.900 -0.655 0.000 1.440 392 Y CA -1.917 55.768 58.100 -0.693 0.000 1.086 392 Y CB 0.602 38.903 38.460 -0.266 0.000 1.544 392 Y HN 0.624 nan 8.280 nan 0.000 0.442 393 R N 0.741 121.211 120.500 -0.050 0.000 2.522 393 R HA 0.406 4.747 4.340 0.000 0.000 0.284 393 R C 0.885 177.196 176.300 0.019 0.000 1.032 393 R CA 1.753 57.828 56.100 -0.042 0.000 1.049 393 R CB -0.106 30.206 30.300 0.020 0.000 0.956 393 R HN 1.343 nan 8.270 nan 0.000 0.422 394 G N 3.041 111.823 108.800 -0.031 0.000 2.339 394 G HA2 -0.230 3.730 3.960 0.000 0.000 0.209 394 G HA3 -0.230 3.730 3.960 0.000 0.000 0.209 394 G C -0.557 174.312 174.900 -0.051 0.000 1.015 394 G CA -0.289 44.804 45.100 -0.010 0.000 0.635 394 G HN 0.437 nan 8.290 nan 0.000 0.499 395 L N 1.766 122.896 121.223 -0.154 0.000 2.439 395 L HA 0.612 4.952 4.340 0.000 0.000 0.261 395 L C 0.386 177.306 176.870 0.084 0.000 1.153 395 L CA -0.556 54.221 54.840 -0.105 0.000 0.808 395 L CB 0.961 42.859 42.059 -0.268 0.000 1.126 395 L HN 0.261 nan 8.230 nan 0.000 0.460 396 D N -0.040 120.405 120.400 0.074 0.000 2.343 396 D HA 0.098 4.738 4.640 0.000 0.000 0.255 396 D C 0.946 177.314 176.300 0.114 0.000 1.187 396 D CA -0.111 53.942 54.000 0.088 0.000 0.875 396 D CB 1.159 41.983 40.800 0.039 0.000 1.136 396 D HN 0.263 nan 8.370 nan 0.000 0.469 397 V N 3.351 123.322 119.914 0.094 0.000 2.469 397 V HA -0.270 3.850 4.120 0.000 0.000 0.251 397 V C 2.433 178.482 176.094 -0.075 0.000 1.064 397 V CA 2.015 64.263 62.300 -0.087 0.000 1.066 397 V CB -1.103 30.681 31.823 -0.064 0.000 0.667 397 V HN 0.740 nan 8.190 nan 0.000 0.461 398 S N 1.491 117.185 115.700 -0.010 0.000 2.440 398 S HA -0.177 4.293 4.470 0.000 0.000 0.238 398 S C 1.981 176.574 174.600 -0.012 0.000 1.010 398 S CA 1.466 59.665 58.200 -0.002 0.000 0.972 398 S CB -1.044 62.159 63.200 0.004 0.000 0.774 398 S HN 0.789 nan 8.310 nan 0.000 0.501 399 V N -0.278 119.625 119.914 -0.018 0.000 2.982 399 V HA 0.188 4.308 4.120 0.000 0.000 0.265 399 V C 0.866 176.935 176.094 -0.043 0.000 1.122 399 V CA 0.747 63.036 62.300 -0.018 0.000 1.143 399 V CB -1.196 30.627 31.823 -0.000 0.000 0.726 399 V HN 0.580 nan 8.190 nan 0.000 0.507 400 I N 2.502 123.022 120.570 -0.084 0.000 2.308 400 I HA 0.336 4.506 4.170 0.000 0.000 0.293 400 I C -2.191 173.909 176.117 -0.028 0.000 1.078 400 I CA -1.919 59.307 61.300 -0.122 0.000 1.292 400 I CB 0.745 38.531 38.000 -0.356 0.000 1.423 400 I HN 0.123 nan 8.210 nan 0.000 0.493 401 P HA -0.027 nan 4.420 nan 0.000 0.260 401 P C 0.947 178.259 177.300 0.019 0.000 1.185 401 P CA 0.199 63.300 63.100 0.001 0.000 0.763 401 P CB 0.470 32.168 31.700 -0.003 0.000 0.776 402 T N 0.675 115.246 114.554 0.029 0.000 3.113 402 T HA 0.191 4.541 4.350 0.000 0.000 0.256 402 T C 0.588 175.276 174.700 -0.020 0.000 1.131 402 T CA 0.401 62.518 62.100 0.029 0.000 1.074 402 T CB -0.139 68.737 68.868 0.013 0.000 0.944 402 T HN 0.230 nan 8.240 nan 0.000 0.516 403 I N -0.158 120.399 120.570 -0.022 0.000 3.004 403 I HA 0.646 4.816 4.170 0.000 0.000 0.305 403 I C -0.296 175.806 176.117 -0.025 0.000 1.312 403 I CA -0.016 61.264 61.300 -0.034 0.000 0.992 403 I CB 1.495 39.477 38.000 -0.031 0.000 1.282 403 I HN 0.556 nan 8.210 nan 0.000 0.449 404 G N 4.159 112.942 108.800 -0.028 0.000 2.721 404 G HA2 -0.075 3.885 3.960 0.000 0.000 0.686 404 G HA3 -0.075 3.885 3.960 0.000 0.000 0.686 404 G C -1.064 173.828 174.900 -0.013 0.000 1.236 404 G CA -0.561 44.528 45.100 -0.017 0.000 0.786 404 G HN 0.807 nan 8.290 nan 0.000 0.616 405 D N -0.283 120.115 120.400 -0.005 0.000 2.662 405 D HA 0.317 4.957 4.640 0.000 0.000 0.233 405 D C 0.659 176.974 176.300 0.024 0.000 1.129 405 D CA 1.058 55.064 54.000 0.010 0.000 0.851 405 D CB 1.145 41.960 40.800 0.024 0.000 1.152 405 D HN 0.682 nan 8.370 nan 0.000 0.507 406 V N 2.456 122.395 119.914 0.042 0.000 3.120 406 V HA 0.279 4.399 4.120 0.000 0.000 0.303 406 V C -0.486 175.667 176.094 0.098 0.000 1.238 406 V CA -0.895 61.439 62.300 0.057 0.000 1.008 406 V CB 2.759 34.608 31.823 0.044 0.000 1.064 406 V HN 0.204 nan 8.190 nan 0.000 0.434 407 V N 3.605 123.560 119.914 0.068 0.000 2.349 407 V HA 0.406 4.526 4.120 0.000 0.000 0.284 407 V C -0.354 175.727 176.094 -0.022 0.000 1.014 407 V CA -0.557 61.770 62.300 0.046 0.000 0.826 407 V CB 1.764 33.604 31.823 0.028 0.000 1.009 407 V HN 0.595 nan 8.190 nan 0.000 0.431 408 V N 6.104 125.962 119.914 -0.094 0.000 2.406 408 V HA 0.324 4.444 4.120 0.000 0.000 0.272 408 V C 0.113 176.089 176.094 -0.196 0.000 1.043 408 V CA -0.449 61.759 62.300 -0.154 0.000 0.915 408 V CB 1.548 33.215 31.823 -0.260 0.000 0.988 408 V HN 0.578 nan 8.190 nan 0.000 0.466 409 V N 4.954 124.819 119.914 -0.082 0.000 2.333 409 V HA 0.815 4.935 4.120 0.000 0.000 0.274 409 V C 0.390 176.499 176.094 0.025 0.000 1.028 409 V CA -0.150 62.130 62.300 -0.033 0.000 0.851 409 V CB 0.928 32.779 31.823 0.046 0.000 1.000 409 V HN 1.009 nan 8.190 nan 0.000 0.456 410 A N 3.628 126.433 122.820 -0.025 0.000 2.498 410 A HA 0.905 5.225 4.320 0.000 0.000 0.298 410 A C 0.135 177.815 177.584 0.160 0.000 1.075 410 A CA -0.179 51.896 52.037 0.063 0.000 0.714 410 A CB 1.917 20.914 19.000 -0.005 0.000 1.299 410 A HN 0.793 nan 8.150 nan 0.000 0.407 411 T N -1.559 113.121 114.554 0.209 0.000 2.833 411 T HA 0.274 4.625 4.350 0.000 0.000 0.312 411 T C 0.208 175.129 174.700 0.369 0.000 1.085 411 T CA 0.373 62.621 62.100 0.246 0.000 0.955 411 T CB 0.161 69.102 68.868 0.122 0.000 1.353 411 T HN 0.409 nan 8.240 nan 0.000 0.544 412 D N 0.070 120.637 120.400 0.279 0.000 2.371 412 D HA 0.100 4.740 4.640 0.000 0.000 0.221 412 D C 2.161 178.614 176.300 0.254 0.000 0.986 412 D CA 0.801 54.960 54.000 0.265 0.000 0.899 412 D CB -0.546 40.323 40.800 0.116 0.000 0.902 412 D HN 0.668 nan 8.370 nan 0.000 0.530 413 A N 0.779 123.723 122.820 0.206 0.000 2.024 413 A HA -0.177 4.143 4.320 0.000 0.000 0.220 413 A C 2.178 180.003 177.584 0.402 0.000 1.164 413 A CA 0.758 52.911 52.037 0.194 0.000 0.643 413 A CB -0.647 18.344 19.000 -0.016 0.000 0.806 413 A HN 0.297 nan 8.150 nan 0.000 0.451 414 L N -0.879 120.641 121.223 0.495 0.000 2.127 414 L HA -0.228 4.112 4.340 0.000 0.000 0.211 414 L C 2.444 179.561 176.870 0.412 0.000 1.089 414 L CA 1.565 56.714 54.840 0.516 0.000 0.757 414 L CB -0.264 42.025 42.059 0.383 0.000 0.899 414 L HN 0.329 nan 8.230 nan 0.000 0.434 415 M N -0.828 118.989 119.600 0.362 0.000 2.073 415 M HA -0.198 4.282 4.480 0.000 0.000 0.258 415 M C 2.415 178.835 176.300 0.201 0.000 1.070 415 M CA 2.562 58.023 55.300 0.268 0.000 1.103 415 M CB -2.058 30.658 32.600 0.195 0.000 1.321 415 M HN 0.550 nan 8.290 nan 0.000 0.405 416 T N -2.408 112.252 114.554 0.176 0.000 2.939 416 T HA 0.098 4.449 4.350 0.000 0.000 0.254 416 T C 2.004 176.771 174.700 0.111 0.000 1.041 416 T CA 1.138 63.304 62.100 0.109 0.000 1.142 416 T CB -0.908 68.009 68.868 0.082 0.000 0.874 416 T HN 0.385 nan 8.240 nan 0.000 0.452 417 G N -0.106 108.817 108.800 0.205 0.000 2.422 417 G HA2 0.065 4.026 3.960 0.000 0.000 0.218 417 G HA3 0.065 4.026 3.960 0.000 0.000 0.218 417 G C 0.279 175.266 174.900 0.145 0.000 1.140 417 G CA 0.508 45.743 45.100 0.225 0.000 0.775 417 G HN 0.690 nan 8.290 nan 0.000 0.545 418 Y N 0.571 120.873 120.300 0.003 0.000 2.492 418 Y HA 0.534 5.084 4.550 0.000 0.000 0.346 418 Y C -0.516 175.386 175.900 0.004 0.000 0.997 418 Y CA -0.914 57.147 58.100 -0.066 0.000 1.025 418 Y CB 2.024 40.384 38.460 -0.166 0.000 1.263 418 Y HN 0.031 nan 8.280 nan 0.000 0.454 419 T N 2.495 116.635 114.554 -0.690 0.000 2.823 419 T HA 0.879 5.229 4.350 0.000 0.000 0.279 419 T C -0.271 173.995 174.700 -0.724 0.000 0.998 419 T CA 0.089 61.914 62.100 -0.458 0.000 0.994 419 T CB 1.062 69.754 68.868 -0.293 0.000 0.960 419 T HN 1.722 nan 8.240 nan 0.000 0.448 420 G N 2.619 111.268 108.800 -0.252 0.000 2.316 420 G HA2 0.239 4.199 3.960 0.000 0.000 0.468 420 G HA3 0.239 4.199 3.960 0.000 0.000 0.468 420 G C -1.515 173.365 174.900 -0.033 0.000 1.523 420 G CA -0.911 44.074 45.100 -0.191 0.000 0.972 420 G HN 0.793 nan 8.290 nan 0.000 0.667 421 D N -0.544 119.768 120.400 -0.148 0.000 2.432 421 D HA 0.794 5.434 4.640 0.000 0.000 0.258 421 D C -0.379 175.679 176.300 -0.403 0.000 1.146 421 D CA 0.339 54.303 54.000 -0.060 0.000 1.015 421 D CB 1.286 42.086 40.800 -0.001 0.000 1.107 421 D HN 0.160 nan 8.370 nan 0.000 0.529 422 F N -0.410 119.570 119.950 0.050 0.000 2.626 422 F HA 0.156 4.683 4.527 0.000 0.000 0.311 422 F C 1.254 177.038 175.800 -0.026 0.000 1.088 422 F CA -0.858 57.136 58.000 -0.011 0.000 0.949 422 F CB 1.161 40.158 39.000 -0.005 0.000 1.322 422 F HN 0.046 nan 8.300 nan 0.000 0.461 423 D N 0.170 120.600 120.400 0.051 0.000 2.144 423 D HA -0.057 4.583 4.640 0.000 0.000 0.199 423 D C 0.603 176.988 176.300 0.141 0.000 0.984 423 D CA 1.587 55.592 54.000 0.008 0.000 0.834 423 D CB 0.085 40.786 40.800 -0.164 0.000 0.955 423 D HN 0.382 nan 8.370 nan 0.000 0.465 424 S N -1.184 114.662 115.700 0.242 0.000 2.570 424 S HA 0.542 5.012 4.470 0.000 0.000 0.270 424 S C -1.052 173.684 174.600 0.228 0.000 1.149 424 S CA -0.943 57.417 58.200 0.267 0.000 0.837 424 S CB 2.429 65.800 63.200 0.286 0.000 1.124 424 S HN -0.167 nan 8.310 nan 0.000 0.465 425 V N 2.069 122.113 119.914 0.218 0.000 2.495 425 V HA 0.562 4.682 4.120 0.000 0.000 0.298 425 V C -0.760 175.376 176.094 0.069 0.000 1.031 425 V CA -0.715 61.698 62.300 0.188 0.000 0.871 425 V CB 1.497 33.561 31.823 0.403 0.000 0.988 425 V HN 0.876 nan 8.190 nan 0.000 0.432 426 I N 3.835 124.384 120.570 -0.035 0.000 2.378 426 I HA 0.465 4.636 4.170 0.000 0.000 0.291 426 I C -0.952 175.181 176.117 0.027 0.000 0.992 426 I CA -0.382 60.827 61.300 -0.153 0.000 1.154 426 I CB 1.829 39.620 38.000 -0.349 0.000 1.315 426 I HN 0.487 nan 8.210 nan 0.000 0.448 427 D N 5.020 125.463 120.400 0.072 0.000 2.408 427 D HA 0.214 4.854 4.640 0.000 0.000 0.243 427 D C 0.789 177.261 176.300 0.287 0.000 1.075 427 D CA -0.678 53.485 54.000 0.271 0.000 0.832 427 D CB 1.818 42.783 40.800 0.275 0.000 1.162 427 D HN 0.721 nan 8.370 nan 0.000 0.515 428 C N 2.808 122.236 119.300 0.213 0.000 2.437 428 C HA 0.079 4.540 4.460 0.000 0.000 0.283 428 C C 1.050 175.883 174.990 -0.261 0.000 1.424 428 C CA 0.294 59.102 59.018 -0.350 0.000 1.782 428 C CB -1.613 25.389 27.740 -1.230 0.000 1.833 428 C HN 0.878 nan 8.230 nan 0.000 0.532 429 N N 0.538 119.198 118.700 -0.066 0.000 2.800 429 N HA -0.163 4.578 4.740 0.000 0.000 0.250 429 N C 0.028 175.492 175.510 -0.076 0.000 1.078 429 N CA 1.020 54.055 53.050 -0.025 0.000 0.804 429 N CB -1.722 36.782 38.487 0.027 0.000 1.135 429 N HN 0.933 nan 8.380 nan 0.000 0.565 430 T N -2.966 111.509 114.554 -0.131 0.000 2.887 430 T HA 0.861 5.211 4.350 0.000 0.000 0.292 430 T C -0.022 174.664 174.700 -0.024 0.000 1.087 430 T CA -0.224 61.818 62.100 -0.097 0.000 1.009 430 T CB 2.608 71.370 68.868 -0.176 0.000 1.203 430 T HN 0.562 nan 8.240 nan 0.000 0.518 431 C N -0.661 118.652 119.300 0.022 0.000 3.306 431 C HA 0.833 5.293 4.460 0.000 0.000 0.335 431 C C -0.946 174.099 174.990 0.093 0.000 1.382 431 C CA -0.891 58.172 59.018 0.075 0.000 1.254 431 C CB 0.625 28.389 27.740 0.040 0.000 1.555 431 C HN 0.918 nan 8.230 nan 0.000 0.463 432 V N 1.431 121.405 119.914 0.100 0.000 2.427 432 V HA 0.778 4.898 4.120 0.000 0.000 0.286 432 V C 0.419 176.553 176.094 0.067 0.000 1.034 432 V CA 0.456 62.814 62.300 0.096 0.000 0.893 432 V CB 1.453 33.329 31.823 0.089 0.000 0.982 432 V HN 1.161 nan 8.190 nan 0.000 0.452 433 T N 4.015 118.609 114.554 0.068 0.000 2.883 433 T HA 0.529 4.879 4.350 0.000 0.000 0.296 433 T C -1.129 173.618 174.700 0.079 0.000 1.117 433 T CA -0.514 61.625 62.100 0.066 0.000 1.006 433 T CB 1.995 70.901 68.868 0.062 0.000 1.191 433 T HN 0.720 nan 8.240 nan 0.000 0.508 434 Q N 1.270 121.126 119.800 0.093 0.000 2.306 434 Q HA 0.675 5.015 4.340 0.000 0.000 0.265 434 Q C -0.713 175.358 176.000 0.118 0.000 1.022 434 Q CA -0.901 54.976 55.803 0.123 0.000 0.853 434 Q CB 2.128 30.978 28.738 0.187 0.000 1.327 434 Q HN 0.812 nan 8.270 nan 0.000 0.449 435 T N -2.326 112.291 114.554 0.105 0.000 2.900 435 T HA 0.575 4.926 4.350 0.000 0.000 0.303 435 T C -1.061 173.679 174.700 0.066 0.000 1.142 435 T CA -0.769 61.378 62.100 0.080 0.000 1.007 435 T CB 1.481 70.373 68.868 0.041 0.000 1.156 435 T HN 0.362 nan 8.240 nan 0.000 0.490 436 V N 1.266 121.195 119.914 0.025 0.000 2.539 436 V HA 0.647 4.767 4.120 0.000 0.000 0.292 436 V C -1.089 174.856 176.094 -0.247 0.000 1.045 436 V CA -0.385 61.893 62.300 -0.038 0.000 0.945 436 V CB 1.461 33.307 31.823 0.039 0.000 0.993 436 V HN 1.097 nan 8.190 nan 0.000 0.464 437 D N 4.451 124.744 120.400 -0.179 0.000 2.502 437 D HA 0.351 4.991 4.640 0.000 0.000 0.249 437 D C -0.695 175.514 176.300 -0.151 0.000 1.092 437 D CA -0.309 53.562 54.000 -0.214 0.000 0.839 437 D CB 1.100 41.875 40.800 -0.042 0.000 1.264 437 D HN 0.418 nan 8.370 nan 0.000 0.511 438 F N 2.640 122.606 119.950 0.026 0.000 2.626 438 F HA 0.126 4.654 4.527 0.000 0.000 0.353 438 F C 1.787 177.591 175.800 0.007 0.000 1.230 438 F CA -0.482 57.507 58.000 -0.019 0.000 1.298 438 F CB 0.201 39.084 39.000 -0.194 0.000 1.670 438 F HN 0.324 nan 8.300 nan 0.000 0.633 439 S N 0.594 116.406 115.700 0.187 0.000 2.501 439 S HA 0.027 4.497 4.470 0.000 0.000 0.220 439 S C 0.972 175.624 174.600 0.087 0.000 0.997 439 S CA -0.123 58.142 58.200 0.108 0.000 0.919 439 S CB -0.289 62.962 63.200 0.085 0.000 0.778 439 S HN 0.642 nan 8.310 nan 0.000 0.523 440 L N 1.690 122.975 121.223 0.104 0.000 3.717 440 L HA -0.167 4.173 4.340 0.000 0.000 0.414 440 L C -0.871 176.021 176.870 0.037 0.000 1.228 440 L CA 0.774 55.652 54.840 0.064 0.000 0.918 440 L CB -2.129 39.954 42.059 0.040 0.000 1.865 440 L HN 0.579 nan 8.230 nan 0.000 0.922 441 D N -1.703 118.716 120.400 0.032 0.000 2.945 441 D HA 0.274 4.914 4.640 0.000 0.000 0.366 441 D C -1.470 174.822 176.300 -0.012 0.000 1.352 441 D CA -1.023 52.983 54.000 0.010 0.000 0.810 441 D CB 0.449 41.259 40.800 0.015 0.000 1.170 441 D HN 0.176 nan 8.370 nan 0.000 0.461 442 P HA 0.054 nan 4.420 nan 0.000 0.252 442 P C 0.725 178.036 177.300 0.018 0.000 1.211 442 P CA 0.615 63.709 63.100 -0.010 0.000 0.824 442 P CB 1.111 32.794 31.700 -0.029 0.000 1.077 443 T N -2.324 112.243 114.554 0.023 0.000 3.212 443 T HA 0.385 4.735 4.350 0.000 0.000 0.157 443 T C 0.335 175.186 174.700 0.252 0.000 0.908 443 T CA -0.134 62.032 62.100 0.110 0.000 0.954 443 T CB -0.243 68.667 68.868 0.070 0.000 1.709 443 T HN 0.047 nan 8.240 nan 0.000 0.335 444 F N 0.688 120.770 119.950 0.220 0.000 2.675 444 F HA 0.894 5.421 4.527 0.000 0.000 0.324 444 F C -1.359 174.547 175.800 0.177 0.000 1.106 444 F CA -1.113 57.024 58.000 0.228 0.000 0.970 444 F CB 1.565 40.777 39.000 0.353 0.000 1.385 444 F HN 0.250 nan 8.300 nan 0.000 0.489 445 T N 2.951 117.722 114.554 0.361 0.000 2.921 445 T HA 0.541 4.891 4.350 0.000 0.000 0.297 445 T C -1.040 173.804 174.700 0.240 0.000 1.013 445 T CA -0.427 61.793 62.100 0.199 0.000 0.990 445 T CB 1.532 70.465 68.868 0.108 0.000 1.023 445 T HN 0.463 nan 8.240 nan 0.000 0.447 446 I N 4.030 124.700 120.570 0.166 0.000 2.336 446 I HA 0.387 4.557 4.170 0.000 0.000 0.292 446 I C 0.482 176.647 176.117 0.079 0.000 0.991 446 I CA -0.772 60.584 61.300 0.094 0.000 1.227 446 I CB 1.150 39.101 38.000 -0.082 0.000 1.366 446 I HN 0.772 nan 8.210 nan 0.000 0.466 447 E N 4.056 124.308 120.200 0.086 0.000 2.256 447 E HA 0.609 4.959 4.350 0.000 0.000 0.267 447 E C -1.177 175.475 176.600 0.087 0.000 0.892 447 E CA -0.786 55.661 56.400 0.078 0.000 0.775 447 E CB 2.048 31.785 29.700 0.061 0.000 1.207 447 E HN 0.355 nan 8.360 nan 0.000 0.420 448 T N 1.982 116.585 114.554 0.082 0.000 2.771 448 T HA 0.490 4.840 4.350 0.000 0.000 0.281 448 T C -0.409 174.333 174.700 0.071 0.000 0.982 448 T CA -0.491 61.658 62.100 0.082 0.000 0.978 448 T CB 1.233 70.149 68.868 0.079 0.000 0.930 448 T HN 0.648 nan 8.240 nan 0.000 0.447 449 T N -0.327 114.269 114.554 0.070 0.000 2.883 449 T HA 0.632 4.982 4.350 0.000 0.000 0.296 449 T C -0.478 174.266 174.700 0.072 0.000 1.117 449 T CA -0.860 61.279 62.100 0.064 0.000 1.006 449 T CB 1.627 70.525 68.868 0.050 0.000 1.191 449 T HN 0.295 nan 8.240 nan 0.000 0.508 450 T N 1.877 116.471 114.554 0.066 0.000 2.767 450 T HA 0.641 4.991 4.350 0.000 0.000 0.288 450 T C 0.161 174.872 174.700 0.019 0.000 0.963 450 T CA -0.529 61.605 62.100 0.058 0.000 1.019 450 T CB 0.657 69.542 68.868 0.028 0.000 0.923 450 T HN 0.978 nan 8.240 nan 0.000 0.468 451 V N 1.826 121.750 119.914 0.017 0.000 3.102 451 V HA 0.780 4.900 4.120 0.000 0.000 0.312 451 V C -3.028 173.061 176.094 -0.008 0.000 1.135 451 V CA -3.404 58.900 62.300 0.007 0.000 1.022 451 V CB 1.576 33.412 31.823 0.020 0.000 1.056 451 V HN 0.447 nan 8.190 nan 0.000 0.436 452 P HA 0.177 nan 4.420 nan 0.000 0.268 452 P C -0.511 176.783 177.300 -0.009 0.000 1.205 452 P CA 0.032 63.123 63.100 -0.015 0.000 0.771 452 P CB 0.252 31.948 31.700 -0.006 0.000 0.858 453 Q N 2.575 122.366 119.800 -0.016 0.000 2.454 453 Q HA 0.124 4.464 4.340 0.000 0.000 0.247 453 Q C -0.099 175.895 176.000 -0.011 0.000 1.028 453 Q CA -0.346 55.449 55.803 -0.013 0.000 0.910 453 Q CB 0.429 29.153 28.738 -0.024 0.000 1.276 453 Q HN 0.443 nan 8.270 nan 0.000 0.489 454 D N 0.823 121.219 120.400 -0.006 0.000 2.478 454 D HA 0.245 4.885 4.640 0.000 0.000 0.263 454 D C 0.386 176.673 176.300 -0.022 0.000 1.153 454 D CA -0.101 53.897 54.000 -0.003 0.000 1.038 454 D CB 0.877 41.689 40.800 0.020 0.000 1.120 454 D HN 0.616 nan 8.370 nan 0.000 0.564 455 A N 0.102 122.909 122.820 -0.021 0.000 1.969 455 A HA -0.039 4.281 4.320 0.000 0.000 0.218 455 A C 2.345 179.888 177.584 -0.070 0.000 1.169 455 A CA 1.423 53.433 52.037 -0.045 0.000 0.635 455 A CB -0.829 18.152 19.000 -0.032 0.000 0.810 455 A HN 0.383 nan 8.150 nan 0.000 0.445 456 V N -0.423 119.454 119.914 -0.061 0.000 2.261 456 V HA -0.239 3.881 4.120 0.000 0.000 0.246 456 V C 2.827 178.870 176.094 -0.086 0.000 1.047 456 V CA 2.359 64.600 62.300 -0.099 0.000 1.015 456 V CB -0.923 30.859 31.823 -0.068 0.000 0.642 456 V HN 0.681 nan 8.190 nan 0.000 0.446 457 S N -0.492 115.173 115.700 -0.058 0.000 2.359 457 S HA -0.302 4.168 4.470 0.000 0.000 0.223 457 S C 2.230 176.760 174.600 -0.117 0.000 1.039 457 S CA 2.242 60.393 58.200 -0.082 0.000 1.042 457 S CB -0.352 62.813 63.200 -0.059 0.000 0.915 457 S HN 0.515 nan 8.310 nan 0.000 0.439 458 R N 0.416 120.859 120.500 -0.095 0.000 2.080 458 R HA -0.107 4.233 4.340 0.000 0.000 0.236 458 R C 2.704 178.898 176.300 -0.177 0.000 1.137 458 R CA 2.064 58.097 56.100 -0.112 0.000 0.943 458 R CB -0.605 29.634 30.300 -0.101 0.000 0.846 458 R HN 0.671 nan 8.270 nan 0.000 0.431 459 S N -0.120 115.489 115.700 -0.152 0.000 2.399 459 S HA -0.172 4.298 4.470 0.000 0.000 0.231 459 S C 1.889 176.420 174.600 -0.115 0.000 1.022 459 S CA 0.983 59.094 58.200 -0.147 0.000 0.983 459 S CB -0.186 62.940 63.200 -0.123 0.000 0.803 459 S HN 0.441 nan 8.310 nan 0.000 0.480 460 Q N 0.761 120.496 119.800 -0.109 0.000 2.083 460 Q HA 0.071 4.411 4.340 0.000 0.000 0.198 460 Q C 2.603 178.565 176.000 -0.064 0.000 0.969 460 Q CA 1.044 56.808 55.803 -0.066 0.000 0.838 460 Q CB -0.125 28.579 28.738 -0.055 0.000 0.900 460 Q HN 0.580 nan 8.270 nan 0.000 0.436 461 R N 0.297 120.681 120.500 -0.194 0.000 2.081 461 R HA -0.088 4.253 4.340 0.000 0.000 0.235 461 R C 2.325 178.686 176.300 0.102 0.000 1.131 461 R CA 1.096 57.026 56.100 -0.283 0.000 0.960 461 R CB -0.191 29.753 30.300 -0.594 0.000 0.856 461 R HN 0.104 nan 8.270 nan 0.000 0.436 462 R N 0.330 120.789 120.500 -0.069 0.000 2.148 462 R HA -0.071 4.269 4.340 0.000 0.000 0.227 462 R C 1.845 178.160 176.300 0.025 0.000 1.103 462 R CA 1.379 57.371 56.100 -0.179 0.000 0.983 462 R CB -0.220 29.681 30.300 -0.664 0.000 0.874 462 R HN 0.284 nan 8.270 nan 0.000 0.451 463 G N 0.026 108.856 108.800 0.050 0.000 2.776 463 G HA2 -0.120 3.840 3.960 0.000 0.000 0.209 463 G HA3 -0.120 3.840 3.960 0.000 0.000 0.209 463 G C 0.974 175.979 174.900 0.176 0.000 1.145 463 G CA -0.234 44.932 45.100 0.109 0.000 0.791 463 G HN 0.109 nan 8.290 nan 0.000 0.530 464 R N 0.105 120.754 120.500 0.249 0.000 2.335 464 R HA 0.160 4.501 4.340 0.000 0.000 0.223 464 R C 0.332 176.835 176.300 0.338 0.000 0.940 464 R CA 0.128 56.431 56.100 0.338 0.000 1.086 464 R CB -0.555 30.017 30.300 0.453 0.000 1.073 464 R HN 0.292 nan 8.270 nan 0.000 0.504 465 T N -2.852 111.846 114.554 0.240 0.000 2.868 465 T HA 0.446 4.796 4.350 0.000 0.000 0.306 465 T C 0.122 174.882 174.700 0.098 0.000 1.224 465 T CA 0.277 62.491 62.100 0.191 0.000 1.012 465 T CB 1.496 70.495 68.868 0.218 0.000 1.221 465 T HN 0.272 nan 8.240 nan 0.000 0.499 466 G N 2.285 111.110 108.800 0.042 0.000 2.143 466 G HA2 -0.202 3.758 3.960 0.000 0.000 0.248 466 G HA3 -0.202 3.758 3.960 0.000 0.000 0.248 466 G C 0.139 175.036 174.900 -0.005 0.000 0.991 466 G CA 0.290 45.353 45.100 -0.063 0.000 0.689 466 G HN 0.779 nan 8.290 nan 0.000 0.522 467 R N 0.278 120.814 120.500 0.059 0.000 2.429 467 R HA 0.437 4.777 4.340 0.000 0.000 0.302 467 R C 1.695 178.027 176.300 0.055 0.000 1.268 467 R CA 1.036 57.186 56.100 0.084 0.000 1.090 467 R CB -0.296 30.051 30.300 0.078 0.000 1.102 467 R HN 1.184 nan 8.270 nan 0.000 0.522 468 G N 2.727 111.566 108.800 0.064 0.000 2.347 468 G HA2 -0.366 3.594 3.960 0.000 0.000 0.247 468 G HA3 -0.366 3.594 3.960 0.000 0.000 0.247 468 G C 0.249 175.165 174.900 0.026 0.000 1.037 468 G CA 0.616 45.742 45.100 0.044 0.000 0.622 468 G HN 0.586 nan 8.290 nan 0.000 0.521 469 R N -0.395 120.114 120.500 0.016 0.000 2.893 469 R HA 0.827 5.167 4.340 0.000 0.000 0.245 469 R C -0.060 176.236 176.300 -0.007 0.000 1.192 469 R CA -1.093 55.010 56.100 0.005 0.000 1.077 469 R CB 0.832 31.134 30.300 0.002 0.000 1.253 469 R HN 0.027 nan 8.270 nan 0.000 0.505 470 R N -0.317 120.180 120.500 -0.004 0.000 2.594 470 R HA 0.412 4.752 4.340 0.000 0.000 0.272 470 R C -0.101 176.201 176.300 0.002 0.000 1.074 470 R CA 0.012 56.107 56.100 -0.008 0.000 1.105 470 R CB 1.108 31.411 30.300 0.005 0.000 1.008 470 R HN 0.887 nan 8.270 nan 0.000 0.472 471 G N 1.230 110.029 108.800 -0.002 0.000 2.690 471 G HA2 0.630 4.591 3.960 0.000 0.000 0.293 471 G HA3 0.630 4.591 3.960 0.000 0.000 0.293 471 G C -1.021 173.921 174.900 0.070 0.000 1.399 471 G CA -0.622 44.503 45.100 0.041 0.000 0.890 471 G HN 0.387 nan 8.290 nan 0.000 0.485 472 I N 0.722 121.364 120.570 0.121 0.000 2.465 472 I HA 0.320 4.490 4.170 0.000 0.000 0.291 472 I C -1.437 174.811 176.117 0.219 0.000 1.014 472 I CA -0.916 60.468 61.300 0.140 0.000 1.093 472 I CB 2.316 40.377 38.000 0.101 0.000 1.267 472 I HN 0.518 nan 8.210 nan 0.000 0.431 473 Y N 6.753 127.116 120.300 0.106 0.000 2.328 473 Y HA 0.512 5.062 4.550 0.000 0.000 0.333 473 Y C -0.603 175.401 175.900 0.174 0.000 0.958 473 Y CA -0.698 57.494 58.100 0.153 0.000 1.167 473 Y CB 0.849 39.416 38.460 0.179 0.000 1.151 473 Y HN 0.458 nan 8.280 nan 0.000 0.470 474 R N 6.681 126.978 120.500 -0.337 0.000 2.514 474 R HA 0.580 4.921 4.340 0.000 0.000 0.301 474 R C -1.640 174.369 176.300 -0.485 0.000 0.962 474 R CA -0.838 55.031 56.100 -0.387 0.000 0.882 474 R CB 1.635 31.770 30.300 -0.275 0.000 1.143 474 R HN 0.676 nan 8.270 nan 0.000 0.452 475 F N -1.703 118.049 119.950 -0.331 0.000 2.591 475 F HA 0.392 4.919 4.527 0.000 0.000 0.309 475 F C 0.397 176.180 175.800 -0.029 0.000 1.098 475 F CA -1.275 56.595 58.000 -0.218 0.000 0.937 475 F CB 0.567 39.463 39.000 -0.173 0.000 1.250 475 F HN 0.106 nan 8.300 nan 0.000 0.447 476 V N 0.439 120.496 119.914 0.237 0.000 2.307 476 V HA -0.037 4.083 4.120 0.000 0.000 0.245 476 V C 1.079 177.330 176.094 0.261 0.000 1.045 476 V CA 2.124 64.536 62.300 0.186 0.000 1.024 476 V CB -0.606 31.290 31.823 0.120 0.000 0.651 476 V HN 0.990 nan 8.190 nan 0.000 0.449 477 T N -2.854 111.895 114.554 0.325 0.000 2.907 477 T HA 0.474 4.824 4.350 0.000 0.000 0.292 477 T C -2.105 172.701 174.700 0.176 0.000 1.043 477 T CA -1.718 60.540 62.100 0.262 0.000 1.003 477 T CB 2.498 71.430 68.868 0.106 0.000 1.084 477 T HN 0.071 nan 8.240 nan 0.000 0.483 478 P HA 0.237 nan 4.420 nan 0.000 0.245 478 P C 0.947 178.127 177.300 -0.199 0.000 1.199 478 P CA 0.157 63.087 63.100 -0.284 0.000 0.807 478 P CB 0.063 31.745 31.700 -0.030 0.000 1.002 479 G N 0.952 109.704 108.800 -0.080 0.000 2.508 479 G HA2 0.449 4.409 3.960 0.000 0.000 0.278 479 G HA3 0.449 4.409 3.960 0.000 0.000 0.278 479 G C -0.679 174.185 174.900 -0.059 0.000 1.389 479 G CA -0.384 44.683 45.100 -0.056 0.000 1.050 479 G HN 0.270 nan 8.290 nan 0.000 0.522 480 E N -1.347 118.831 120.200 -0.037 0.000 2.378 480 E HA 0.326 4.676 4.350 0.000 0.000 0.283 480 E C -1.091 175.497 176.600 -0.020 0.000 0.979 480 E CA -0.920 55.461 56.400 -0.032 0.000 0.795 480 E CB 1.422 31.096 29.700 -0.044 0.000 1.221 480 E HN 0.389 nan 8.360 nan 0.000 0.428 481 R N 1.834 122.325 120.500 -0.015 0.000 2.582 481 R HA 0.329 4.669 4.340 0.000 0.000 0.271 481 R C -2.037 174.255 176.300 -0.014 0.000 1.078 481 R CA -1.618 54.473 56.100 -0.015 0.000 1.127 481 R CB 0.319 30.615 30.300 -0.006 0.000 1.038 481 R HN 0.431 nan 8.270 nan 0.000 0.500 482 P HA -0.043 nan 4.420 nan 0.000 0.267 482 P C -0.496 176.848 177.300 0.072 0.000 1.200 482 P CA 0.018 63.106 63.100 -0.021 0.000 0.772 482 P CB 0.724 32.281 31.700 -0.238 0.000 0.855 483 S N 0.171 115.955 115.700 0.139 0.000 2.672 483 S HA 0.592 5.062 4.470 0.000 0.000 0.276 483 S C 1.054 175.771 174.600 0.195 0.000 1.207 483 S CA 0.099 58.375 58.200 0.127 0.000 1.002 483 S CB 0.588 63.825 63.200 0.062 0.000 0.998 483 S HN 0.908 nan 8.310 nan 0.000 0.542 484 G N 0.228 109.125 108.800 0.162 0.000 2.141 484 G HA2 -0.198 3.762 3.960 0.000 0.000 0.242 484 G HA3 -0.198 3.762 3.960 0.000 0.000 0.242 484 G C -0.266 174.757 174.900 0.205 0.000 0.982 484 G CA 0.293 45.490 45.100 0.163 0.000 0.662 484 G HN 0.705 nan 8.290 nan 0.000 0.527 485 M N -0.410 119.320 119.600 0.217 0.000 2.535 485 M HA 0.778 5.258 4.480 0.000 0.000 0.314 485 M C -0.158 176.282 176.300 0.233 0.000 1.153 485 M CA -1.104 54.295 55.300 0.164 0.000 0.924 485 M CB 1.972 34.642 32.600 0.117 0.000 1.710 485 M HN 0.386 nan 8.290 nan 0.000 0.451 486 F N -1.310 118.670 119.950 0.050 0.000 2.629 486 F HA 0.747 5.274 4.527 0.000 0.000 0.316 486 F C -1.038 174.777 175.800 0.026 0.000 1.081 486 F CA -1.297 56.721 58.000 0.030 0.000 0.954 486 F CB 0.858 39.864 39.000 0.011 0.000 1.337 486 F HN 0.452 nan 8.300 nan 0.000 0.474 487 D N 0.331 120.854 120.400 0.206 0.000 2.283 487 D HA 0.226 4.866 4.640 0.000 0.000 0.248 487 D C 1.120 177.523 176.300 0.173 0.000 1.072 487 D CA 0.057 54.124 54.000 0.112 0.000 0.929 487 D CB 2.020 42.896 40.800 0.126 0.000 1.182 487 D HN 0.688 nan 8.370 nan 0.000 0.433 488 S N 1.095 116.900 115.700 0.175 0.000 2.420 488 S HA -0.218 4.252 4.470 0.000 0.000 0.237 488 S C 1.945 176.769 174.600 0.374 0.000 1.023 488 S CA 1.892 60.326 58.200 0.390 0.000 0.991 488 S CB -0.494 63.132 63.200 0.710 0.000 0.792 488 S HN 0.570 nan 8.310 nan 0.000 0.488 489 S N 0.541 116.399 115.700 0.263 0.000 2.419 489 S HA -0.081 4.389 4.470 0.000 0.000 0.235 489 S C 1.744 176.402 174.600 0.097 0.000 1.019 489 S CA 1.369 59.672 58.200 0.172 0.000 0.982 489 S CB -0.834 62.501 63.200 0.225 0.000 0.789 489 S HN 0.381 nan 8.310 nan 0.000 0.490 490 V N 2.101 122.096 119.914 0.135 0.000 2.427 490 V HA -0.094 4.026 4.120 0.000 0.000 0.248 490 V C 2.553 178.627 176.094 -0.033 0.000 1.051 490 V CA 1.659 63.985 62.300 0.043 0.000 1.048 490 V CB -0.896 30.981 31.823 0.091 0.000 0.666 490 V HN 0.485 nan 8.190 nan 0.000 0.456 491 L N -0.497 120.757 121.223 0.051 0.000 2.017 491 L HA -0.257 4.083 4.340 0.000 0.000 0.208 491 L C 2.751 179.485 176.870 -0.227 0.000 1.073 491 L CA 1.851 56.694 54.840 0.005 0.000 0.745 491 L CB -0.910 41.293 42.059 0.241 0.000 0.894 491 L HN 0.496 nan 8.230 nan 0.000 0.432 492 C N 0.757 119.626 119.300 -0.719 0.000 2.398 492 C HA -0.203 4.257 4.460 0.000 0.000 0.276 492 C C 2.668 177.543 174.990 -0.193 0.000 1.222 492 C CA 1.466 59.964 59.018 -0.867 0.000 1.746 492 C CB -0.719 26.213 27.740 -1.347 0.000 2.039 492 C HN 0.525 nan 8.230 nan 0.000 0.470 493 E N -0.606 119.534 120.200 -0.100 0.000 2.118 493 E HA -0.236 4.114 4.350 0.000 0.000 0.195 493 E C 2.260 178.739 176.600 -0.201 0.000 0.992 493 E CA 1.802 58.084 56.400 -0.197 0.000 0.804 493 E CB -0.296 29.192 29.700 -0.353 0.000 0.741 493 E HN 0.774 nan 8.360 nan 0.000 0.458 494 C N 0.210 119.369 119.300 -0.234 0.000 2.413 494 C HA -0.157 4.303 4.460 0.000 0.000 0.276 494 C C 2.426 177.183 174.990 -0.390 0.000 1.236 494 C CA 0.606 59.449 59.018 -0.292 0.000 1.735 494 C CB -1.105 26.416 27.740 -0.365 0.000 2.031 494 C HN 0.456 nan 8.230 nan 0.000 0.474 495 Y N 0.722 120.730 120.300 -0.487 0.000 2.181 495 Y HA -0.186 4.364 4.550 0.000 0.000 0.288 495 Y C 2.468 177.826 175.900 -0.903 0.000 1.146 495 Y CA 1.911 59.531 58.100 -0.800 0.000 1.164 495 Y CB -0.602 37.084 38.460 -1.290 0.000 0.982 495 Y HN 0.402 nan 8.280 nan 0.000 0.515 496 D N 0.064 120.120 120.400 -0.574 0.000 2.104 496 D HA -0.213 4.427 4.640 0.000 0.000 0.194 496 D C 2.220 178.498 176.300 -0.036 0.000 0.994 496 D CA 1.515 55.469 54.000 -0.078 0.000 0.830 496 D CB -0.001 40.940 40.800 0.236 0.000 0.959 496 D HN 0.355 nan 8.370 nan 0.000 0.452 497 A N 0.529 123.334 122.820 -0.026 0.000 1.968 497 A HA 0.047 4.367 4.320 0.000 0.000 0.217 497 A C 2.366 179.988 177.584 0.062 0.000 1.169 497 A CA 1.842 53.940 52.037 0.101 0.000 0.638 497 A CB -0.972 18.116 19.000 0.147 0.000 0.812 497 A HN 0.367 nan 8.150 nan 0.000 0.446 498 G N -0.527 108.276 108.800 0.005 0.000 2.491 498 G HA2 -0.321 3.639 3.960 0.000 0.000 0.218 498 G HA3 -0.321 3.639 3.960 0.000 0.000 0.218 498 G C 1.590 176.458 174.900 -0.053 0.000 1.180 498 G CA 1.463 46.573 45.100 0.016 0.000 0.774 498 G HN 0.520 nan 8.290 nan 0.000 0.562 499 C N 0.597 119.778 119.300 -0.198 0.000 2.457 499 C HA 0.352 4.812 4.460 0.000 0.000 0.278 499 C C 3.496 178.398 174.990 -0.146 0.000 1.309 499 C CA 0.703 59.543 59.018 -0.296 0.000 1.735 499 C CB -0.782 26.451 27.740 -0.845 0.000 1.992 499 C HN 0.567 nan 8.230 nan 0.000 0.493 500 A N -1.239 121.523 122.820 -0.097 0.000 1.903 500 A HA -0.028 4.292 4.320 0.000 0.000 0.213 500 A C 1.717 179.041 177.584 -0.435 0.000 1.185 500 A CA 1.023 52.966 52.037 -0.156 0.000 0.628 500 A CB -0.476 18.408 19.000 -0.194 0.000 0.830 500 A HN 0.754 nan 8.150 nan 0.000 0.446 501 W N -3.384 117.735 121.300 -0.301 0.000 2.866 501 W HA 0.257 4.917 4.660 0.000 0.000 0.258 501 W C 0.984 177.199 176.519 -0.507 0.000 1.183 501 W CA 0.049 57.073 57.345 -0.536 0.000 1.451 501 W CB 0.347 29.200 29.460 -1.012 0.000 0.959 501 W HN 0.302 nan 8.180 nan 0.000 0.622 502 Y N 0.717 121.127 120.300 0.183 0.000 2.531 502 Y HA 0.208 4.759 4.550 0.000 0.000 0.249 502 Y C 0.330 176.249 175.900 0.031 0.000 1.168 502 Y CA -0.895 57.258 58.100 0.087 0.000 1.226 502 Y CB -0.825 37.657 38.460 0.037 0.000 1.177 502 Y HN -0.036 nan 8.280 nan 0.000 0.527 503 E N 0.715 120.979 120.200 0.107 0.000 2.328 503 E HA -0.229 4.122 4.350 0.000 0.000 0.233 503 E C -0.825 175.807 176.600 0.053 0.000 1.219 503 E CA 0.265 56.703 56.400 0.063 0.000 0.717 503 E CB -1.725 28.012 29.700 0.062 0.000 1.210 503 E HN 0.440 nan 8.360 nan 0.000 0.381 504 L N 1.188 122.439 121.223 0.046 0.000 2.282 504 L HA 0.275 4.615 4.340 0.000 0.000 0.288 504 L C 1.291 178.158 176.870 -0.005 0.000 1.033 504 L CA -0.643 54.207 54.840 0.017 0.000 0.807 504 L CB 1.213 43.275 42.059 0.006 0.000 1.209 504 L HN 0.091 nan 8.230 nan 0.000 0.423 505 T N -0.259 114.300 114.554 0.008 0.000 2.856 505 T HA 0.138 4.488 4.350 0.000 0.000 0.306 505 T C -1.866 172.858 174.700 0.041 0.000 1.062 505 T CA -1.340 60.772 62.100 0.020 0.000 1.083 505 T CB 0.956 69.841 68.868 0.029 0.000 0.984 505 T HN 0.340 nan 8.240 nan 0.000 0.542 506 P HA -0.062 nan 4.420 nan 0.000 0.216 506 P C 1.706 179.133 177.300 0.211 0.000 1.150 506 P CA 1.525 64.752 63.100 0.212 0.000 0.837 506 P CB -0.320 31.500 31.700 0.200 0.000 0.786 507 A N -0.022 122.871 122.820 0.122 0.000 1.908 507 A HA -0.266 4.054 4.320 0.000 0.000 0.218 507 A C 2.143 179.768 177.584 0.068 0.000 1.181 507 A CA 1.911 54.007 52.037 0.097 0.000 0.627 507 A CB -1.263 17.775 19.000 0.064 0.000 0.818 507 A HN 0.196 nan 8.150 nan 0.000 0.445 508 E N -1.064 119.158 120.200 0.037 0.000 2.072 508 E HA -0.108 4.243 4.350 0.000 0.000 0.191 508 E C 2.096 178.677 176.600 -0.032 0.000 0.985 508 E CA 1.512 57.914 56.400 0.003 0.000 0.801 508 E CB -0.276 29.421 29.700 -0.006 0.000 0.750 508 E HN 0.592 nan 8.360 nan 0.000 0.452 509 T N 0.384 114.898 114.554 -0.067 0.000 2.746 509 T HA -0.136 4.214 4.350 0.000 0.000 0.267 509 T C 2.091 176.668 174.700 -0.204 0.000 1.039 509 T CA 1.304 63.268 62.100 -0.227 0.000 1.142 509 T CB -0.203 68.377 68.868 -0.480 0.000 0.866 509 T HN 0.041 nan 8.240 nan 0.000 0.444 510 S N 0.748 116.447 115.700 -0.002 0.000 2.383 510 S HA -0.095 4.376 4.470 0.000 0.000 0.229 510 S C 2.285 176.919 174.600 0.056 0.000 1.030 510 S CA 0.761 59.030 58.200 0.114 0.000 1.002 510 S CB -0.498 62.838 63.200 0.227 0.000 0.829 510 S HN 0.273 nan 8.310 nan 0.000 0.467 511 V N 1.852 121.785 119.914 0.032 0.000 2.295 511 V HA -0.212 3.908 4.120 0.000 0.000 0.246 511 V C 2.405 178.508 176.094 0.014 0.000 1.049 511 V CA 1.801 64.115 62.300 0.024 0.000 1.024 511 V CB -0.570 31.262 31.823 0.014 0.000 0.648 511 V HN 0.399 nan 8.190 nan 0.000 0.447 512 R N -0.385 120.105 120.500 -0.017 0.000 2.075 512 R HA -0.019 4.321 4.340 0.000 0.000 0.232 512 R C 2.262 178.570 176.300 0.014 0.000 1.126 512 R CA 1.186 57.280 56.100 -0.010 0.000 0.963 512 R CB -0.398 29.871 30.300 -0.051 0.000 0.858 512 R HN 0.398 nan 8.270 nan 0.000 0.435 513 L N 0.317 121.522 121.223 -0.030 0.000 2.131 513 L HA -0.130 4.210 4.340 0.000 0.000 0.210 513 L C 2.616 179.555 176.870 0.115 0.000 1.092 513 L CA 1.060 55.904 54.840 0.007 0.000 0.759 513 L CB -0.300 41.726 42.059 -0.055 0.000 0.903 513 L HN 0.094 nan 8.230 nan 0.000 0.435 514 R N 0.853 121.410 120.500 0.094 0.000 2.092 514 R HA -0.074 4.267 4.340 0.000 0.000 0.231 514 R C 2.202 178.562 176.300 0.101 0.000 1.119 514 R CA 1.527 57.688 56.100 0.101 0.000 0.970 514 R CB -0.518 29.830 30.300 0.079 0.000 0.864 514 R HN 0.262 nan 8.270 nan 0.000 0.440 515 A N -0.466 122.409 122.820 0.092 0.000 1.933 515 A HA -0.178 4.142 4.320 0.000 0.000 0.218 515 A C 2.114 179.764 177.584 0.110 0.000 1.175 515 A CA 1.438 53.524 52.037 0.082 0.000 0.628 515 A CB -0.960 18.080 19.000 0.067 0.000 0.814 515 A HN 0.560 nan 8.150 nan 0.000 0.444 516 Y N 0.555 120.867 120.300 0.020 0.000 2.114 516 Y HA -0.159 4.391 4.550 0.000 0.000 0.284 516 Y C 1.980 177.910 175.900 0.050 0.000 1.143 516 Y CA 1.951 60.067 58.100 0.028 0.000 1.135 516 Y CB -0.286 38.184 38.460 0.015 0.000 0.980 516 Y HN 0.203 nan 8.280 nan 0.000 0.499 517 L N 0.187 121.602 121.223 0.320 0.000 2.275 517 L HA -0.206 4.134 4.340 0.000 0.000 0.215 517 L C 1.309 178.223 176.870 0.074 0.000 1.119 517 L CA 1.054 56.021 54.840 0.212 0.000 0.790 517 L CB -0.527 41.637 42.059 0.176 0.000 0.919 517 L HN 0.262 nan 8.230 nan 0.000 0.443 518 N N -0.893 117.839 118.700 0.054 0.000 2.398 518 N HA -0.003 4.737 4.740 0.000 0.000 0.188 518 N C 0.107 175.613 175.510 -0.006 0.000 1.122 518 N CA 0.338 53.400 53.050 0.019 0.000 0.866 518 N CB 0.232 38.735 38.487 0.027 0.000 0.970 518 N HN 0.104 nan 8.380 nan 0.000 0.462 519 T N 2.748 117.279 114.554 -0.038 0.000 2.749 519 T HA 0.356 4.706 4.350 0.000 0.000 0.287 519 T C -2.466 172.200 174.700 -0.057 0.000 0.970 519 T CA -1.297 60.768 62.100 -0.057 0.000 0.980 519 T CB 1.925 70.731 68.868 -0.104 0.000 0.924 519 T HN -0.033 nan 8.240 nan 0.000 0.456 520 P HA 0.353 nan 4.420 nan 0.000 0.271 520 P C 1.013 178.320 177.300 0.012 0.000 1.218 520 P CA 0.315 63.405 63.100 -0.016 0.000 0.780 520 P CB 0.457 32.152 31.700 -0.010 0.000 0.901 521 G N 0.499 109.256 108.800 -0.071 0.000 2.176 521 G HA2 -0.207 3.754 3.960 0.000 0.000 0.253 521 G HA3 -0.207 3.754 3.960 0.000 0.000 0.253 521 G C -0.147 174.750 174.900 -0.005 0.000 0.979 521 G CA -0.252 44.766 45.100 -0.137 0.000 0.641 521 G HN 0.439 nan 8.290 nan 0.000 0.530 522 L N 0.484 121.691 121.223 -0.026 0.000 2.365 522 L HA 0.552 4.892 4.340 0.000 0.000 0.267 522 L C -1.763 175.129 176.870 0.037 0.000 1.033 522 L CA -2.601 52.210 54.840 -0.049 0.000 0.802 522 L CB 1.176 43.025 42.059 -0.351 0.000 1.267 522 L HN -0.168 nan 8.230 nan 0.000 0.457 523 P HA -0.016 nan 4.420 nan 0.000 0.266 523 P C -1.106 176.422 177.300 0.380 0.000 1.186 523 P CA -0.026 63.261 63.100 0.311 0.000 0.767 523 P CB 0.416 32.388 31.700 0.454 0.000 0.820 524 V N 0.171 120.195 119.914 0.183 0.000 2.815 524 V HA 0.822 4.943 4.120 0.000 0.000 0.314 524 V C -0.588 175.253 176.094 -0.422 0.000 1.064 524 V CA -0.805 61.481 62.300 -0.023 0.000 0.952 524 V CB 1.798 33.596 31.823 -0.042 0.000 1.020 524 V HN 0.803 nan 8.190 nan 0.000 0.439 525 C N 2.625 121.610 119.300 -0.525 0.000 3.239 525 C HA 0.533 4.994 4.460 0.000 0.000 0.317 525 C C -0.552 174.203 174.990 -0.393 0.000 1.310 525 C CA -0.330 58.243 59.018 -0.742 0.000 1.371 525 C CB 1.984 28.879 27.740 -1.408 0.000 1.714 525 C HN 1.064 nan 8.230 nan 0.000 0.473 526 Q N 2.492 122.064 119.800 -0.381 0.000 2.315 526 Q HA 0.086 4.426 4.340 0.000 0.000 0.289 526 Q C -0.329 175.409 176.000 -0.437 0.000 1.044 526 Q CA 0.735 56.290 55.803 -0.414 0.000 0.920 526 Q CB 0.576 28.977 28.738 -0.563 0.000 1.214 526 Q HN 0.725 nan 8.270 nan 0.000 0.392 527 D N 2.050 122.295 120.400 -0.259 0.000 2.435 527 D HA 0.017 4.657 4.640 0.000 0.000 0.230 527 D C -0.228 176.106 176.300 0.057 0.000 1.215 527 D CA 0.125 54.082 54.000 -0.072 0.000 0.947 527 D CB -0.203 40.594 40.800 -0.005 0.000 1.048 527 D HN 0.443 nan 8.370 nan 0.000 0.512 528 H N 3.292 122.466 119.070 0.174 0.000 2.475 528 H HA 0.187 4.743 4.556 0.000 0.000 0.276 528 H C 1.603 177.104 175.328 0.288 0.000 1.126 528 H CA -0.369 55.786 56.048 0.178 0.000 1.023 528 H CB 0.858 30.746 29.762 0.209 0.000 1.669 528 H HN 0.271 nan 8.280 nan 0.000 0.573 529 L N 0.229 121.676 121.223 0.374 0.000 2.012 529 L HA -0.197 4.144 4.340 0.000 0.000 0.210 529 L C 2.107 179.114 176.870 0.229 0.000 1.073 529 L CA 1.639 56.706 54.840 0.379 0.000 0.748 529 L CB -0.267 41.976 42.059 0.307 0.000 0.891 529 L HN 0.466 nan 8.230 nan 0.000 0.431 530 E N -0.357 119.935 120.200 0.153 0.000 2.085 530 E HA -0.267 4.083 4.350 0.000 0.000 0.194 530 E C 1.995 178.594 176.600 -0.002 0.000 0.994 530 E CA 1.576 58.018 56.400 0.070 0.000 0.801 530 E CB -0.202 29.530 29.700 0.053 0.000 0.743 530 E HN 0.377 nan 8.360 nan 0.000 0.453 531 F N 0.054 119.910 119.950 -0.156 0.000 2.075 531 F HA -0.209 4.318 4.527 0.000 0.000 0.297 531 F C 1.732 177.342 175.800 -0.317 0.000 1.113 531 F CA 1.667 59.465 58.000 -0.336 0.000 1.218 531 F CB -0.592 38.044 39.000 -0.606 0.000 0.984 531 F HN 0.038 nan 8.300 nan 0.000 0.472 532 W N 0.962 122.027 121.300 -0.391 0.000 2.363 532 W HA -0.135 4.525 4.660 0.000 0.000 0.296 532 W C 2.654 178.739 176.519 -0.723 0.000 1.212 532 W CA 1.268 58.248 57.345 -0.607 0.000 1.260 532 W CB -0.540 28.660 29.460 -0.434 0.000 1.131 532 W HN 0.161 nan 8.180 nan 0.000 0.530 533 E N 0.699 120.596 120.200 -0.505 0.000 2.085 533 E HA -0.270 4.081 4.350 0.000 0.000 0.194 533 E C 2.311 178.851 176.600 -0.099 0.000 0.994 533 E CA 2.098 58.317 56.400 -0.302 0.000 0.801 533 E CB -0.266 29.419 29.700 -0.026 0.000 0.743 533 E HN 0.219 nan 8.360 nan 0.000 0.453 534 S N -0.193 115.417 115.700 -0.149 0.000 2.382 534 S HA -0.138 4.333 4.470 0.000 0.000 0.228 534 S C 2.112 176.688 174.600 -0.039 0.000 1.027 534 S CA 1.338 59.485 58.200 -0.089 0.000 0.991 534 S CB -0.605 62.493 63.200 -0.170 0.000 0.823 534 S HN 0.167 nan 8.310 nan 0.000 0.469 535 V N 0.925 120.703 119.914 -0.226 0.000 2.261 535 V HA -0.112 4.009 4.120 0.000 0.000 0.246 535 V C 2.305 178.401 176.094 0.002 0.000 1.047 535 V CA 2.099 64.328 62.300 -0.118 0.000 1.015 535 V CB -1.068 30.591 31.823 -0.274 0.000 0.642 535 V HN 0.496 nan 8.190 nan 0.000 0.446 536 F N 0.453 120.382 119.950 -0.035 0.000 2.293 536 F HA -0.131 4.397 4.527 0.000 0.000 0.300 536 F C 2.558 178.335 175.800 -0.039 0.000 1.086 536 F CA 1.604 59.588 58.000 -0.025 0.000 1.375 536 F CB -0.882 38.088 39.000 -0.051 0.000 1.045 536 F HN 0.081 nan 8.300 nan 0.000 0.516 537 T N -0.886 113.752 114.554 0.141 0.000 2.849 537 T HA -0.155 4.195 4.350 0.000 0.000 0.270 537 T C 2.196 176.862 174.700 -0.056 0.000 1.066 537 T CA 1.391 63.530 62.100 0.066 0.000 1.130 537 T CB -0.723 68.200 68.868 0.090 0.000 0.864 537 T HN 0.450 nan 8.240 nan 0.000 0.481 538 G N 0.514 109.245 108.800 -0.114 0.000 2.880 538 G HA2 0.203 4.163 3.960 0.000 0.000 0.209 538 G HA3 0.203 4.163 3.960 0.000 0.000 0.209 538 G C 0.531 175.209 174.900 -0.369 0.000 1.157 538 G CA -0.229 44.525 45.100 -0.576 0.000 0.779 538 G HN 0.443 nan 8.290 nan 0.000 0.539 539 L N 3.275 124.325 121.223 -0.289 0.000 2.422 539 L HA 0.261 4.601 4.340 0.000 0.000 0.256 539 L C 0.498 177.222 176.870 -0.242 0.000 1.202 539 L CA -0.463 54.014 54.840 -0.606 0.000 1.119 539 L CB -0.321 41.326 42.059 -0.687 0.000 1.383 539 L HN 0.075 nan 8.230 nan 0.000 0.411 540 T N -3.446 111.078 114.554 -0.050 0.000 2.943 540 T HA 0.337 4.688 4.350 0.000 0.000 0.284 540 T C 0.461 175.227 174.700 0.111 0.000 1.015 540 T CA -0.607 61.439 62.100 -0.090 0.000 1.042 540 T CB 1.169 69.776 68.868 -0.435 0.000 1.055 540 T HN 0.522 nan 8.240 nan 0.000 0.500 541 H N -1.096 118.114 119.070 0.234 0.000 2.756 541 H HA -0.132 4.424 4.556 0.000 0.000 0.315 541 H C 0.192 175.613 175.328 0.155 0.000 1.210 541 H CA 0.261 56.407 56.048 0.163 0.000 1.150 541 H CB -1.871 27.954 29.762 0.106 0.000 1.463 541 H HN 0.777 nan 8.280 nan 0.000 0.427 542 I N 0.955 121.699 120.570 0.291 0.000 2.892 542 I HA -0.057 4.113 4.170 0.000 0.000 0.287 542 I C 1.098 177.239 176.117 0.039 0.000 1.205 542 I CA 0.331 61.707 61.300 0.128 0.000 1.409 542 I CB 0.483 38.540 38.000 0.095 0.000 1.367 542 I HN 0.198 nan 8.210 nan 0.000 0.597 543 D N 5.792 126.169 120.400 -0.038 0.000 2.339 543 D HA 0.113 4.753 4.640 0.000 0.000 0.256 543 D C 0.678 176.930 176.300 -0.079 0.000 1.214 543 D CA 0.171 54.110 54.000 -0.101 0.000 0.877 543 D CB 1.675 42.325 40.800 -0.249 0.000 1.111 543 D HN 0.688 nan 8.370 nan 0.000 0.478 544 A N 4.667 127.457 122.820 -0.050 0.000 1.978 544 A HA -0.225 4.095 4.320 0.000 0.000 0.220 544 A C 2.016 179.602 177.584 0.004 0.000 1.170 544 A CA 1.313 53.342 52.037 -0.013 0.000 0.636 544 A CB -0.631 18.369 19.000 -0.001 0.000 0.810 544 A HN 0.879 nan 8.150 nan 0.000 0.448 545 H N -1.907 117.057 119.070 -0.176 0.000 2.326 545 H HA -0.131 4.426 4.556 0.000 0.000 0.301 545 H C 1.764 177.079 175.328 -0.022 0.000 1.081 545 H CA 1.660 57.615 56.048 -0.154 0.000 1.334 545 H CB -0.106 29.493 29.762 -0.271 0.000 1.385 545 H HN 0.455 nan 8.280 nan 0.000 0.504 546 F N 0.622 120.495 119.950 -0.128 0.000 2.134 546 F HA -0.158 4.370 4.527 0.000 0.000 0.299 546 F C 2.552 178.269 175.800 -0.138 0.000 1.097 546 F CA 0.524 58.417 58.000 -0.178 0.000 1.264 546 F CB -1.052 37.886 39.000 -0.103 0.000 1.001 546 F HN 0.192 nan 8.300 nan 0.000 0.479 547 L N -0.348 120.917 121.223 0.069 0.000 2.046 547 L HA -0.164 4.177 4.340 0.000 0.000 0.208 547 L C 2.630 179.457 176.870 -0.073 0.000 1.077 547 L CA 1.900 56.725 54.840 -0.025 0.000 0.747 547 L CB -1.160 40.869 42.059 -0.051 0.000 0.896 547 L HN 0.159 nan 8.230 nan 0.000 0.432 548 S N -1.172 114.497 115.700 -0.051 0.000 2.370 548 S HA -0.268 4.203 4.470 0.000 0.000 0.226 548 S C 1.944 176.520 174.600 -0.040 0.000 1.033 548 S CA 1.750 59.918 58.200 -0.054 0.000 1.011 548 S CB -0.229 62.981 63.200 0.017 0.000 0.852 548 S HN 0.698 nan 8.310 nan 0.000 0.457 549 Q N -0.047 119.729 119.800 -0.040 0.000 2.083 549 Q HA -0.063 4.277 4.340 0.000 0.000 0.198 549 Q C 2.542 178.537 176.000 -0.008 0.000 0.969 549 Q CA 1.825 57.613 55.803 -0.025 0.000 0.838 549 Q CB -0.444 28.258 28.738 -0.060 0.000 0.900 549 Q HN 0.882 nan 8.270 nan 0.000 0.436 550 T N -1.039 113.506 114.554 -0.015 0.000 2.904 550 T HA -0.058 4.292 4.350 0.000 0.000 0.267 550 T C 1.642 176.352 174.700 0.017 0.000 1.059 550 T CA 0.829 62.926 62.100 -0.006 0.000 1.137 550 T CB -0.031 68.833 68.868 -0.007 0.000 0.879 550 T HN 0.097 nan 8.240 nan 0.000 0.467 551 K N 0.618 120.992 120.400 -0.043 0.000 2.026 551 K HA -0.070 4.250 4.320 0.000 0.000 0.208 551 K C 2.727 179.439 176.600 0.186 0.000 1.048 551 K CA 1.290 57.555 56.287 -0.036 0.000 0.929 551 K CB -0.190 31.981 32.500 -0.548 0.000 0.713 551 K HN 0.249 nan 8.250 nan 0.000 0.439 552 Q N 0.814 120.675 119.800 0.102 0.000 2.167 552 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 552 Q C 1.828 177.897 176.000 0.115 0.000 0.970 552 Q CA 1.612 57.498 55.803 0.137 0.000 0.855 552 Q CB -0.021 28.770 28.738 0.089 0.000 0.911 552 Q HN 0.302 nan 8.270 nan 0.000 0.438 553 A N -0.500 122.368 122.820 0.081 0.000 2.119 553 A HA 0.144 4.465 4.320 0.000 0.000 0.217 553 A C 1.637 179.260 177.584 0.064 0.000 1.153 553 A CA 1.403 53.475 52.037 0.058 0.000 0.692 553 A CB -0.540 18.477 19.000 0.029 0.000 0.799 553 A HN 0.597 nan 8.150 nan 0.000 0.458 554 G N -0.802 108.058 108.800 0.100 0.000 2.179 554 G HA2 -0.236 3.724 3.960 0.000 0.000 0.260 554 G HA3 -0.236 3.724 3.960 0.000 0.000 0.260 554 G C -0.150 174.782 174.900 0.053 0.000 0.977 554 G CA 0.397 45.551 45.100 0.091 0.000 0.641 554 G HN 0.512 nan 8.290 nan 0.000 0.533 555 D N 0.546 120.969 120.400 0.038 0.000 2.383 555 D HA 0.388 5.029 4.640 0.000 0.000 0.248 555 D C 0.841 177.149 176.300 0.014 0.000 1.170 555 D CA -0.521 53.486 54.000 0.011 0.000 0.977 555 D CB 0.320 41.112 40.800 -0.014 0.000 1.120 555 D HN 0.141 nan 8.370 nan 0.000 0.481 556 N N -0.013 118.683 118.700 -0.007 0.000 2.444 556 N HA 0.107 4.847 4.740 0.000 0.000 0.255 556 N C -0.071 175.470 175.510 0.051 0.000 1.255 556 N CA -0.138 52.853 53.050 -0.098 0.000 0.933 556 N CB -0.001 38.371 38.487 -0.192 0.000 1.143 556 N HN 0.336 nan 8.380 nan 0.000 0.453 557 F N -1.777 118.210 119.950 0.062 0.000 2.866 557 F HA -0.161 4.366 4.527 0.000 0.000 0.254 557 F C -1.207 174.657 175.800 0.106 0.000 1.009 557 F CA -0.342 57.717 58.000 0.099 0.000 0.907 557 F CB -1.479 37.565 39.000 0.074 0.000 0.859 557 F HN 0.514 nan 8.300 nan 0.000 0.842 558 P HA -0.237 nan 4.420 nan 0.000 0.218 558 P C 1.642 179.051 177.300 0.183 0.000 1.149 558 P CA 1.652 64.839 63.100 0.146 0.000 0.817 558 P CB 0.043 31.804 31.700 0.101 0.000 0.785 559 Y N 0.961 121.365 120.300 0.174 0.000 2.133 559 Y HA -0.138 4.413 4.550 0.000 0.000 0.287 559 Y C 2.565 178.651 175.900 0.310 0.000 1.134 559 Y CA 1.513 59.755 58.100 0.237 0.000 1.133 559 Y CB -0.986 37.652 38.460 0.296 0.000 0.987 559 Y HN -0.280 nan 8.280 nan 0.000 0.502 560 L N -1.263 120.244 121.223 0.473 0.000 2.079 560 L HA -0.246 4.094 4.340 0.000 0.000 0.210 560 L C 2.235 179.333 176.870 0.380 0.000 1.081 560 L CA 1.084 56.128 54.840 0.340 0.000 0.752 560 L CB -0.807 41.274 42.059 0.036 0.000 0.896 560 L HN 0.155 nan 8.230 nan 0.000 0.433 561 V N 0.092 120.157 119.914 0.252 0.000 2.270 561 V HA -0.239 3.881 4.120 0.000 0.000 0.245 561 V C 2.730 178.946 176.094 0.203 0.000 1.043 561 V CA 1.816 64.211 62.300 0.157 0.000 1.014 561 V CB -0.790 30.972 31.823 -0.102 0.000 0.645 561 V HN 0.469 nan 8.190 nan 0.000 0.447 562 A N -1.567 121.314 122.820 0.101 0.000 2.019 562 A HA -0.242 4.078 4.320 0.000 0.000 0.219 562 A C 2.111 179.721 177.584 0.043 0.000 1.164 562 A CA 1.775 53.845 52.037 0.056 0.000 0.644 562 A CB -0.681 18.326 19.000 0.011 0.000 0.805 562 A HN 0.637 nan 8.150 nan 0.000 0.449 563 Y N -0.172 120.108 120.300 -0.032 0.000 2.220 563 Y HA -0.149 4.401 4.550 0.000 0.000 0.291 563 Y C 2.610 178.522 175.900 0.020 0.000 1.129 563 Y CA 2.062 60.143 58.100 -0.032 0.000 1.161 563 Y CB -0.158 38.285 38.460 -0.029 0.000 0.997 563 Y HN 0.430 nan 8.280 nan 0.000 0.522 564 Q N 0.450 120.371 119.800 0.201 0.000 2.124 564 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 564 Q C 2.200 178.099 176.000 -0.167 0.000 0.977 564 Q CA 1.906 57.700 55.803 -0.015 0.000 0.850 564 Q CB -0.540 28.264 28.738 0.109 0.000 0.901 564 Q HN 0.470 nan 8.270 nan 0.000 0.429 565 A N -0.603 122.175 122.820 -0.069 0.000 1.902 565 A HA -0.182 4.138 4.320 0.000 0.000 0.217 565 A C 2.306 179.752 177.584 -0.229 0.000 1.181 565 A CA 1.945 53.816 52.037 -0.276 0.000 0.623 565 A CB -1.137 17.592 19.000 -0.452 0.000 0.818 565 A HN 0.503 nan 8.150 nan 0.000 0.443 566 T N -0.119 114.393 114.554 -0.069 0.000 2.652 566 T HA -0.159 4.191 4.350 0.000 0.000 0.267 566 T C 1.904 176.522 174.700 -0.136 0.000 1.039 566 T CA 1.823 63.928 62.100 0.009 0.000 1.153 566 T CB -0.593 68.114 68.868 -0.269 0.000 0.863 566 T HN 0.160 nan 8.240 nan 0.000 0.428 567 V N 1.025 120.749 119.914 -0.316 0.000 2.332 567 V HA -0.245 3.875 4.120 0.000 0.000 0.248 567 V C 2.872 178.845 176.094 -0.202 0.000 1.055 567 V CA 1.602 63.722 62.300 -0.299 0.000 1.038 567 V CB -0.922 30.607 31.823 -0.490 0.000 0.651 567 V HN 0.638 nan 8.190 nan 0.000 0.450 568 C N 0.148 119.308 119.300 -0.232 0.000 2.436 568 C HA -0.105 4.355 4.460 0.000 0.000 0.277 568 C C 3.129 178.058 174.990 -0.102 0.000 1.241 568 C CA 0.822 59.715 59.018 -0.208 0.000 1.721 568 C CB -1.432 26.116 27.740 -0.319 0.000 2.043 568 C HN 0.639 nan 8.230 nan 0.000 0.472 569 A N 0.636 123.430 122.820 -0.044 0.000 1.908 569 A HA -0.222 4.098 4.320 0.000 0.000 0.218 569 A C 2.173 179.793 177.584 0.060 0.000 1.181 569 A CA 1.622 53.705 52.037 0.077 0.000 0.627 569 A CB -0.576 18.623 19.000 0.333 0.000 0.818 569 A HN 0.702 nan 8.150 nan 0.000 0.445 570 R N -0.798 119.728 120.500 0.042 0.000 2.280 570 R HA 0.081 4.421 4.340 0.000 0.000 0.207 570 R C 1.704 178.023 176.300 0.033 0.000 1.043 570 R CA 0.774 56.895 56.100 0.035 0.000 1.006 570 R CB -0.216 30.103 30.300 0.032 0.000 0.885 570 R HN 0.490 nan 8.270 nan 0.000 0.467 571 A N 0.226 123.058 122.820 0.020 0.000 2.348 571 A HA 0.041 4.361 4.320 0.000 0.000 0.224 571 A C 0.367 177.957 177.584 0.010 0.000 1.227 571 A CA -0.228 51.823 52.037 0.023 0.000 0.885 571 A CB 0.265 19.282 19.000 0.028 0.000 0.933 571 A HN 0.272 nan 8.150 nan 0.000 0.506 572 Q N -1.652 118.152 119.800 0.007 0.000 2.461 572 Q HA -0.247 4.094 4.340 0.000 0.000 0.273 572 Q C 0.283 176.269 176.000 -0.023 0.000 1.163 572 Q CA 0.539 56.343 55.803 0.002 0.000 0.929 572 Q CB -2.098 26.656 28.738 0.027 0.000 1.334 572 Q HN 0.902 nan 8.270 nan 0.000 0.499 573 A N 0.295 123.084 122.820 -0.051 0.000 2.320 573 A HA 0.797 5.117 4.320 0.000 0.000 0.334 573 A C -2.404 175.095 177.584 -0.142 0.000 1.147 573 A CA -1.514 50.475 52.037 -0.080 0.000 0.820 573 A CB 1.021 19.966 19.000 -0.091 0.000 1.218 573 A HN -0.075 nan 8.150 nan 0.000 0.482 574 P HA 0.330 nan 4.420 nan 0.000 0.274 574 P C -2.569 174.421 177.300 -0.517 0.000 1.246 574 P CA -1.272 61.677 63.100 -0.251 0.000 0.795 574 P CB 0.010 31.633 31.700 -0.129 0.000 1.006 575 P HA 0.161 nan 4.420 nan 0.000 0.275 575 P C -2.045 174.623 177.300 -1.055 0.000 1.266 575 P CA -1.574 60.842 63.100 -1.140 0.000 0.793 575 P CB -0.635 30.215 31.700 -1.418 0.000 1.074 576 P HA -0.111 nan 4.420 nan 0.000 0.217 576 P C 0.519 177.535 177.300 -0.473 0.000 1.148 576 P CA 1.757 64.465 63.100 -0.653 0.000 0.828 576 P CB 0.002 31.397 31.700 -0.508 0.000 0.783 577 S N -3.941 111.405 115.700 -0.591 0.000 2.636 577 S HA 0.328 4.798 4.470 0.000 0.000 0.268 577 S C -1.326 173.066 174.600 -0.346 0.000 1.159 577 S CA -0.890 57.143 58.200 -0.279 0.000 0.815 577 S CB -0.044 63.174 63.200 0.030 0.000 1.130 577 S HN -0.003 nan 8.310 nan 0.000 0.471 578 W N 1.145 122.504 121.300 0.098 0.000 3.015 578 W HA 0.361 5.021 4.660 0.000 0.000 0.429 578 W C 0.389 176.995 176.519 0.144 0.000 0.976 578 W CA -0.444 56.972 57.345 0.118 0.000 2.086 578 W CB -0.002 29.487 29.460 0.049 0.000 1.125 578 W HN 0.836 nan 8.180 nan 0.000 0.721 579 D N 0.124 120.720 120.400 0.327 0.000 2.364 579 D HA -0.119 4.521 4.640 0.000 0.000 0.236 579 D C 1.776 178.177 176.300 0.169 0.000 1.221 579 D CA 0.680 54.808 54.000 0.213 0.000 0.891 579 D CB 1.164 42.061 40.800 0.162 0.000 1.190 579 D HN -0.091 nan 8.370 nan 0.000 0.449 580 Q N 1.648 121.495 119.800 0.078 0.000 2.291 580 Q HA -0.176 4.164 4.340 0.000 0.000 0.206 580 Q C 1.804 177.762 176.000 -0.069 0.000 0.976 580 Q CA 0.830 56.656 55.803 0.037 0.000 0.875 580 Q CB -0.341 28.408 28.738 0.018 0.000 0.927 580 Q HN 0.706 nan 8.270 nan 0.000 0.450 581 M N -1.222 118.248 119.600 -0.218 0.000 2.195 581 M HA -0.191 4.289 4.480 0.000 0.000 0.260 581 M C 0.329 176.216 176.300 -0.688 0.000 1.066 581 M CA 1.612 56.590 55.300 -0.536 0.000 1.089 581 M CB -0.033 32.063 32.600 -0.838 0.000 1.377 581 M HN 0.192 nan 8.290 nan 0.000 0.411 582 W N 0.921 122.197 121.300 -0.040 0.000 3.194 582 W HA 0.199 4.860 4.660 0.000 0.000 0.408 582 W C 1.582 178.088 176.519 -0.022 0.000 1.072 582 W CA -0.553 56.726 57.345 -0.110 0.000 1.953 582 W CB -0.131 29.170 29.460 -0.265 0.000 1.091 582 W HN 0.236 nan 8.180 nan 0.000 0.699 583 K N 0.002 120.478 120.400 0.126 0.000 2.280 583 K HA -0.175 4.145 4.320 0.000 0.000 0.202 583 K C 1.787 178.459 176.600 0.120 0.000 1.047 583 K CA 1.562 57.939 56.287 0.151 0.000 0.942 583 K CB -1.000 31.552 32.500 0.086 0.000 0.739 583 K HN 0.361 nan 8.250 nan 0.000 0.457 584 C N -0.103 119.225 119.300 0.047 0.000 2.430 584 C HA 0.139 4.599 4.460 0.000 0.000 0.288 584 C C 1.766 176.752 174.990 -0.006 0.000 1.448 584 C CA -0.273 58.744 59.018 -0.001 0.000 1.784 584 C CB -0.903 26.791 27.740 -0.076 0.000 1.776 584 C HN 0.380 nan 8.230 nan 0.000 0.547 585 L N 0.485 121.737 121.223 0.048 0.000 2.640 585 L HA 0.386 4.726 4.340 0.000 0.000 0.230 585 L C 2.195 179.262 176.870 0.330 0.000 1.123 585 L CA 0.377 55.281 54.840 0.106 0.000 0.900 585 L CB -0.773 41.290 42.059 0.006 0.000 1.146 585 L HN 0.349 nan 8.230 nan 0.000 0.484 586 I N 0.377 121.130 120.570 0.305 0.000 2.264 586 I HA -0.331 3.839 4.170 0.000 0.000 0.248 586 I C 2.524 178.661 176.117 0.032 0.000 1.111 586 I CA 1.281 62.677 61.300 0.161 0.000 1.382 586 I CB -0.204 37.857 38.000 0.101 0.000 1.060 586 I HN 0.393 nan 8.210 nan 0.000 0.418 587 R N 1.445 121.995 120.500 0.083 0.000 2.235 587 R HA -0.062 4.278 4.340 0.000 0.000 0.213 587 R C 1.738 178.073 176.300 0.058 0.000 1.059 587 R CA 0.985 57.120 56.100 0.058 0.000 0.997 587 R CB -0.354 29.999 30.300 0.087 0.000 0.884 587 R HN 0.362 nan 8.270 nan 0.000 0.462 588 L N 0.993 122.276 121.223 0.100 0.000 2.591 588 L HA 0.117 4.457 4.340 0.000 0.000 0.228 588 L C 2.450 179.352 176.870 0.054 0.000 1.133 588 L CA 0.194 55.090 54.840 0.094 0.000 0.880 588 L CB -0.202 41.944 42.059 0.144 0.000 1.033 588 L HN 0.226 nan 8.230 nan 0.000 0.450 589 K N 1.568 121.971 120.400 0.004 0.000 2.015 589 K HA -0.216 4.104 4.320 0.000 0.000 0.216 589 K C -0.550 175.981 176.600 -0.114 0.000 1.052 589 K CA 1.910 58.132 56.287 -0.107 0.000 0.937 589 K CB -0.879 31.298 32.500 -0.537 0.000 0.719 589 K HN 0.144 nan 8.250 nan 0.000 0.446 590 P HA -0.151 nan 4.420 nan 0.000 0.219 590 P C 0.940 178.201 177.300 -0.064 0.000 1.144 590 P CA 1.855 64.923 63.100 -0.052 0.000 0.806 590 P CB -0.158 31.531 31.700 -0.018 0.000 0.771 591 T N -4.945 109.549 114.554 -0.099 0.000 3.060 591 T HA 0.151 4.501 4.350 0.000 0.000 0.249 591 T C 0.515 175.024 174.700 -0.318 0.000 1.079 591 T CA -0.004 62.035 62.100 -0.103 0.000 1.013 591 T CB -0.540 68.325 68.868 -0.005 0.000 0.975 591 T HN -0.066 nan 8.240 nan 0.000 0.518 592 L N 2.819 123.785 121.223 -0.428 0.000 2.275 592 L HA 0.560 4.900 4.340 0.000 0.000 0.288 592 L C -0.188 176.323 176.870 -0.597 0.000 1.046 592 L CA -0.893 53.747 54.840 -0.332 0.000 0.805 592 L CB 0.764 42.795 42.059 -0.047 0.000 1.193 592 L HN 0.314 nan 8.230 nan 0.000 0.426 593 H N 1.834 120.930 119.070 0.044 0.000 3.016 593 H HA 0.664 5.220 4.556 0.000 0.000 0.362 593 H C 0.173 175.505 175.328 0.007 0.000 1.233 593 H CA -0.126 55.940 56.048 0.031 0.000 1.124 593 H CB 2.180 31.956 29.762 0.023 0.000 1.850 593 H HN 0.737 nan 8.280 nan 0.000 0.549 594 G N 1.282 110.165 108.800 0.139 0.000 2.660 594 G HA2 -0.159 3.801 3.960 0.000 0.000 0.247 594 G HA3 -0.159 3.801 3.960 0.000 0.000 0.247 594 G C -2.952 171.951 174.900 0.006 0.000 1.328 594 G CA -0.887 44.248 45.100 0.057 0.000 0.884 594 G HN 0.525 nan 8.290 nan 0.000 0.531 595 P HA 0.387 nan 4.420 nan 0.000 0.278 595 P C 0.036 177.280 177.300 -0.093 0.000 1.238 595 P CA 0.061 63.129 63.100 -0.053 0.000 0.794 595 P CB 0.875 32.550 31.700 -0.041 0.000 0.955 596 T N 4.753 119.220 114.554 -0.146 0.000 2.834 596 T HA 0.190 4.540 4.350 0.000 0.000 0.298 596 T C -1.964 172.627 174.700 -0.182 0.000 0.966 596 T CA -0.844 61.127 62.100 -0.214 0.000 1.141 596 T CB -0.399 68.286 68.868 -0.306 0.000 0.905 596 T HN 0.347 nan 8.240 nan 0.000 0.535 597 P HA 0.177 nan 4.420 nan 0.000 0.263 597 P C -0.400 176.751 177.300 -0.248 0.000 1.601 597 P CA -0.578 62.431 63.100 -0.152 0.000 1.161 597 P CB 0.015 31.648 31.700 -0.112 0.000 1.730 598 L N 4.067 125.154 121.223 -0.227 0.000 2.360 598 L HA 0.108 4.448 4.340 0.000 0.000 0.276 598 L C 1.077 177.746 176.870 -0.335 0.000 1.121 598 L CA 0.254 54.920 54.840 -0.289 0.000 0.845 598 L CB 0.298 42.228 42.059 -0.215 0.000 1.143 598 L HN 0.241 nan 8.230 nan 0.000 0.452 599 L N 5.518 126.406 121.223 -0.559 0.000 2.408 599 L HA 0.208 4.549 4.340 0.000 0.000 0.215 599 L C -0.663 175.787 176.870 -0.700 0.000 1.081 599 L CA -0.155 54.253 54.840 -0.719 0.000 0.840 599 L CB -0.211 41.139 42.059 -1.182 0.000 1.002 599 L HN 0.712 nan 8.230 nan 0.000 0.468 600 Y N -2.853 117.282 120.300 -0.276 0.000 2.851 600 Y HA 0.465 5.016 4.550 0.000 0.000 0.359 600 Y C -1.013 174.713 175.900 -0.291 0.000 1.231 600 Y CA -2.252 55.544 58.100 -0.505 0.000 1.106 600 Y CB 0.411 38.226 38.460 -1.076 0.000 1.409 600 Y HN -0.212 nan 8.280 nan 0.000 0.454 601 R N 1.199 121.682 120.500 -0.028 0.000 2.343 601 R HA 0.661 5.002 4.340 0.000 0.000 0.320 601 R C -0.468 175.883 176.300 0.086 0.000 0.956 601 R CA -0.608 55.524 56.100 0.053 0.000 0.836 601 R CB 1.387 31.701 30.300 0.023 0.000 1.151 601 R HN 0.809 nan 8.270 nan 0.000 0.450 602 L N 1.187 122.499 121.223 0.149 0.000 2.858 602 L HA 0.422 4.762 4.340 0.000 0.000 0.251 602 L C 0.776 177.703 176.870 0.095 0.000 1.149 602 L CA -0.198 54.694 54.840 0.087 0.000 0.955 602 L CB 0.977 43.089 42.059 0.088 0.000 1.289 602 L HN 0.833 nan 8.230 nan 0.000 0.542 603 G N -0.375 108.502 108.800 0.128 0.000 2.427 603 G HA2 0.534 4.494 3.960 0.000 0.000 0.306 603 G HA3 0.534 4.494 3.960 0.000 0.000 0.306 603 G C -1.544 173.420 174.900 0.107 0.000 1.280 603 G CA -0.141 45.026 45.100 0.112 0.000 0.837 603 G HN -0.062 nan 8.290 nan 0.000 0.482 604 A N -0.843 122.033 122.820 0.094 0.000 2.511 604 A HA 0.521 4.841 4.320 0.000 0.000 0.242 604 A C 0.106 177.729 177.584 0.065 0.000 1.069 604 A CA 0.111 52.189 52.037 0.069 0.000 0.763 604 A CB 0.317 19.355 19.000 0.063 0.000 1.001 604 A HN 1.409 nan 8.150 nan 0.000 0.498 605 V N 4.197 124.125 119.914 0.023 0.000 2.334 605 V HA 0.188 4.308 4.120 0.000 0.000 0.281 605 V C 0.625 176.702 176.094 -0.028 0.000 1.016 605 V CA -0.400 61.885 62.300 -0.025 0.000 0.832 605 V CB 0.982 32.775 31.823 -0.051 0.000 0.999 605 V HN 1.062 nan 8.190 nan 0.000 0.439 606 Q N 1.956 121.732 119.800 -0.039 0.000 2.259 606 Q HA 0.096 4.436 4.340 0.000 0.000 0.201 606 Q C 0.840 176.820 176.000 -0.033 0.000 0.938 606 Q CA 0.291 56.084 55.803 -0.016 0.000 0.872 606 Q CB 0.241 28.986 28.738 0.013 0.000 0.971 606 Q HN 0.697 nan 8.270 nan 0.000 0.494 607 N N 1.761 120.412 118.700 -0.080 0.000 2.467 607 N HA -0.001 4.739 4.740 0.000 0.000 0.262 607 N C -0.626 174.840 175.510 -0.073 0.000 1.234 607 N CA 0.053 53.056 53.050 -0.079 0.000 0.952 607 N CB 0.751 39.150 38.487 -0.146 0.000 1.158 607 N HN -0.059 nan 8.380 nan 0.000 0.463 608 E N -0.365 119.805 120.200 -0.050 0.000 2.422 608 E HA 0.184 4.534 4.350 0.000 0.000 0.260 608 E C -0.415 176.141 176.600 -0.073 0.000 1.108 608 E CA -0.157 56.215 56.400 -0.047 0.000 0.943 608 E CB 0.568 30.251 29.700 -0.028 0.000 0.961 608 E HN 0.406 nan 8.360 nan 0.000 0.443 609 V N -1.386 118.488 119.914 -0.067 0.000 2.914 609 V HA 0.712 4.832 4.120 0.000 0.000 0.314 609 V C -0.335 175.723 176.094 -0.060 0.000 1.084 609 V CA -0.744 61.506 62.300 -0.083 0.000 0.963 609 V CB 1.965 33.733 31.823 -0.091 0.000 1.025 609 V HN 0.631 nan 8.190 nan 0.000 0.432 610 T N 2.471 116.987 114.554 -0.062 0.000 2.908 610 T HA 0.668 5.018 4.350 0.000 0.000 0.290 610 T C 0.024 174.702 174.700 -0.038 0.000 1.034 610 T CA -0.626 61.450 62.100 -0.039 0.000 1.010 610 T CB 1.482 70.335 68.868 -0.024 0.000 1.068 610 T HN 0.755 nan 8.240 nan 0.000 0.481 611 L N 3.094 124.305 121.223 -0.021 0.000 2.959 611 L HA 0.217 4.557 4.340 0.000 0.000 0.259 611 L C 2.211 179.089 176.870 0.013 0.000 1.185 611 L CA -0.070 54.762 54.840 -0.013 0.000 0.998 611 L CB 0.116 42.166 42.059 -0.016 0.000 1.337 611 L HN 0.837 nan 8.230 nan 0.000 0.555 612 T N -4.641 109.924 114.554 0.018 0.000 3.055 612 T HA -0.081 4.269 4.350 0.000 0.000 0.265 612 T C 1.048 175.768 174.700 0.033 0.000 1.111 612 T CA 0.172 62.282 62.100 0.017 0.000 1.118 612 T CB -0.252 68.616 68.868 -0.000 0.000 0.909 612 T HN 0.197 nan 8.240 nan 0.000 0.501 613 H N 3.127 122.182 119.070 -0.025 0.000 3.001 613 H HA 0.085 4.641 4.556 0.000 0.000 0.334 613 H C -1.728 173.606 175.328 0.010 0.000 1.034 613 H CA -1.434 54.606 56.048 -0.015 0.000 1.420 613 H CB 1.389 31.131 29.762 -0.034 0.000 1.405 613 H HN 0.004 nan 8.280 nan 0.000 0.593 614 P HA -0.178 nan 4.420 nan 0.000 0.216 614 P C 1.685 179.130 177.300 0.242 0.000 1.150 614 P CA 0.937 64.069 63.100 0.053 0.000 0.837 614 P CB 0.336 31.998 31.700 -0.064 0.000 0.786 615 I N -0.990 119.869 120.570 0.481 0.000 2.286 615 I HA -0.150 4.020 4.170 0.000 0.000 0.245 615 I C 1.978 178.232 176.117 0.227 0.000 1.104 615 I CA 1.719 63.212 61.300 0.321 0.000 1.397 615 I CB -2.050 36.105 38.000 0.258 0.000 1.072 615 I HN 0.021 nan 8.210 nan 0.000 0.417 616 T N 1.543 116.191 114.554 0.158 0.000 2.665 616 T HA -0.219 4.132 4.350 0.000 0.000 0.268 616 T C 1.935 176.689 174.700 0.089 0.000 1.035 616 T CA 1.524 63.661 62.100 0.062 0.000 1.151 616 T CB -0.202 68.679 68.868 0.022 0.000 0.862 616 T HN 0.346 nan 8.240 nan 0.000 0.438 617 K N -0.139 120.330 120.400 0.116 0.000 2.097 617 K HA -0.097 4.224 4.320 0.000 0.000 0.206 617 K C 2.166 178.831 176.600 0.108 0.000 1.049 617 K CA 1.255 57.595 56.287 0.088 0.000 0.933 617 K CB -0.317 32.229 32.500 0.077 0.000 0.717 617 K HN 0.435 nan 8.250 nan 0.000 0.442 618 Y N 1.790 122.115 120.300 0.042 0.000 2.200 618 Y HA -0.161 4.389 4.550 0.000 0.000 0.290 618 Y C 1.835 177.752 175.900 0.028 0.000 1.137 618 Y CA 1.297 59.416 58.100 0.031 0.000 1.163 618 Y CB -0.102 38.380 38.460 0.037 0.000 0.988 618 Y HN -0.081 nan 8.280 nan 0.000 0.518 619 I N -0.305 120.311 120.570 0.077 0.000 2.252 619 I HA -0.337 3.833 4.170 0.000 0.000 0.245 619 I C 2.402 178.516 176.117 -0.005 0.000 1.102 619 I CA 1.436 62.747 61.300 0.018 0.000 1.385 619 I CB -0.437 37.666 38.000 0.171 0.000 1.064 619 I HN 0.283 nan 8.210 nan 0.000 0.414 620 M N 0.617 120.223 119.600 0.011 0.000 2.106 620 M HA -0.239 4.241 4.480 0.000 0.000 0.259 620 M C 2.564 178.839 176.300 -0.042 0.000 1.068 620 M CA 2.156 57.458 55.300 0.002 0.000 1.100 620 M CB -0.594 32.010 32.600 0.005 0.000 1.351 620 M HN 0.345 nan 8.290 nan 0.000 0.404 621 A N -0.586 122.177 122.820 -0.095 0.000 1.969 621 A HA -0.157 4.163 4.320 0.000 0.000 0.218 621 A C 2.247 179.730 177.584 -0.169 0.000 1.169 621 A CA 1.469 53.429 52.037 -0.129 0.000 0.635 621 A CB -1.177 17.738 19.000 -0.142 0.000 0.810 621 A HN 0.624 nan 8.150 nan 0.000 0.445 622 C N -0.514 118.637 119.300 -0.248 0.000 2.419 622 C HA -0.114 4.346 4.460 0.000 0.000 0.281 622 C C 2.603 177.606 174.990 0.021 0.000 1.336 622 C CA 1.132 60.034 59.018 -0.195 0.000 1.770 622 C CB -1.080 26.466 27.740 -0.322 0.000 1.929 622 C HN 0.567 nan 8.230 nan 0.000 0.509 623 M N 0.835 120.450 119.600 0.024 0.000 2.549 623 M HA -0.045 4.435 4.480 0.000 0.000 0.260 623 M C 1.923 178.133 176.300 -0.151 0.000 1.076 623 M CA 1.002 56.268 55.300 -0.056 0.000 1.090 623 M CB -1.482 31.103 32.600 -0.025 0.000 1.418 623 M HN 0.286 nan 8.290 nan 0.000 0.486 624 S N 0.412 116.047 115.700 -0.108 0.000 2.562 624 S HA 0.248 4.718 4.470 0.000 0.000 0.221 624 S C 1.082 175.606 174.600 -0.128 0.000 0.975 624 S CA 0.066 58.199 58.200 -0.111 0.000 0.918 624 S CB -0.242 62.911 63.200 -0.080 0.000 0.772 624 S HN 0.522 nan 8.310 nan 0.000 0.531 625 A N 1.911 124.649 122.820 -0.138 0.000 2.466 625 A HA 0.196 4.517 4.320 0.000 0.000 0.238 625 A C -0.222 177.239 177.584 -0.205 0.000 1.074 625 A CA -0.408 51.548 52.037 -0.135 0.000 0.774 625 A CB 0.019 18.971 19.000 -0.080 0.000 1.015 625 A HN 0.167 nan 8.150 nan 0.000 0.498 626 D N 0.734 121.045 120.400 -0.147 0.000 2.502 626 D HA 0.250 4.890 4.640 0.000 0.000 0.249 626 D C -0.511 175.650 176.300 -0.231 0.000 1.188 626 D CA 1.165 55.077 54.000 -0.147 0.000 0.890 626 D CB 0.043 40.796 40.800 -0.077 0.000 1.140 626 D HN 0.354 nan 8.370 nan 0.000 0.505 627 L N 2.728 123.772 121.223 -0.299 0.000 2.318 627 L HA 0.233 4.573 4.340 0.000 0.000 0.277 627 L C 0.571 177.370 176.870 -0.119 0.000 1.008 627 L CA -0.624 53.967 54.840 -0.415 0.000 0.846 627 L CB 1.392 42.927 42.059 -0.873 0.000 1.220 627 L HN 0.282 nan 8.230 nan 0.000 0.423 628 E N 3.844 124.080 120.200 0.060 0.000 2.290 628 E HA 0.420 4.771 4.350 0.000 0.000 0.277 628 E C -1.073 175.630 176.600 0.172 0.000 1.035 628 E CA -0.431 56.024 56.400 0.091 0.000 0.873 628 E CB 1.238 30.968 29.700 0.050 0.000 1.029 628 E HN 0.402 nan 8.360 nan 0.000 0.419 629 V N 1.684 121.650 119.914 0.086 0.000 2.971 629 V HA 0.542 4.662 4.120 0.000 0.000 0.309 629 V C 0.031 176.110 176.094 -0.026 0.000 1.130 629 V CA -1.081 61.264 62.300 0.074 0.000 0.964 629 V CB 1.083 32.979 31.823 0.121 0.000 1.029 629 V HN 0.479 nan 8.190 nan 0.000 0.427 630 V N 0.875 120.717 119.914 -0.120 0.000 3.003 630 V HA 0.866 4.987 4.120 0.000 0.000 0.305 630 V C 0.555 176.619 176.094 -0.051 0.000 1.078 630 V CA 0.691 62.860 62.300 -0.219 0.000 1.083 630 V CB 0.890 32.371 31.823 -0.570 0.000 1.039 630 V HN 1.517 nan 8.190 nan 0.000 0.481 631 T N 0.000 114.578 114.554 0.039 0.000 3.816 631 T HA 0.000 4.350 4.350 0.000 0.000 0.228 631 T CA 0.000 62.181 62.100 0.135 0.000 1.349 631 T CB 0.000 69.027 68.868 0.265 0.000 0.612 631 T HN 0.000 nan 8.240 nan 0.000 0.658