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 2win_1_E DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NRXXXXXKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ XXRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQPAA 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.524 174.600 -0.126 0.000 1.055 1 S CA 0.000 58.160 58.200 -0.067 0.000 1.107 1 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 2 P HA 0.127 nan 4.420 nan 0.000 0.258 2 P C -0.531 176.407 177.300 -0.603 0.000 1.187 2 P CA 0.292 63.154 63.100 -0.397 0.000 0.767 2 P CB 0.173 31.645 31.700 -0.380 0.000 0.770 3 M N 5.028 124.327 119.600 -0.503 0.000 2.066 3 M HA 0.305 4.785 4.480 -0.000 0.000 0.340 3 M C -1.332 174.714 176.300 -0.424 0.000 1.053 3 M CA -0.747 54.348 55.300 -0.342 0.000 0.983 3 M CB 0.572 33.138 32.600 -0.058 0.000 1.520 3 M HN 0.209 nan 8.290 nan 0.000 0.428 4 Y N 3.120 123.276 120.300 -0.239 0.000 2.434 4 Y HA 0.397 4.947 4.550 -0.000 0.000 0.341 4 Y C 0.552 176.187 175.900 -0.442 0.000 0.965 4 Y CA -0.619 57.099 58.100 -0.637 0.000 1.205 4 Y CB 0.671 38.326 38.460 -1.342 0.000 1.121 4 Y HN 0.623 nan 8.280 nan 0.000 0.507 5 S N 2.900 118.512 115.700 -0.147 0.000 2.681 5 S HA 0.843 5.313 4.470 -0.000 0.000 0.299 5 S C -1.044 173.477 174.600 -0.131 0.000 1.113 5 S CA -0.682 57.400 58.200 -0.197 0.000 1.013 5 S CB 2.244 65.370 63.200 -0.124 0.000 1.076 5 S HN 0.500 nan 8.310 nan 0.000 0.534 6 I N 0.278 120.657 120.570 -0.318 0.000 2.692 6 I HA 0.613 4.783 4.170 -0.000 0.000 0.293 6 I C -1.890 174.082 176.117 -0.242 0.000 1.200 6 I CA -1.208 60.019 61.300 -0.122 0.000 1.036 6 I CB 1.748 39.758 38.000 0.016 0.000 1.258 6 I HN 0.868 nan 8.210 nan 0.000 0.421 7 I N 6.321 126.857 120.570 -0.057 0.000 2.499 7 I HA 0.567 4.737 4.170 -0.000 0.000 0.288 7 I C -0.691 175.476 176.117 0.083 0.000 1.048 7 I CA -0.438 60.866 61.300 0.007 0.000 1.062 7 I CB 2.202 40.288 38.000 0.144 0.000 1.238 7 I HN 0.680 nan 8.210 nan 0.000 0.426 8 T N 2.677 117.282 114.554 0.084 0.000 2.896 8 T HA 0.582 4.932 4.350 -0.000 0.000 0.297 8 T C -2.972 171.799 174.700 0.119 0.000 1.108 8 T CA -2.523 59.649 62.100 0.120 0.000 1.004 8 T CB 2.054 70.998 68.868 0.127 0.000 1.159 8 T HN 0.089 nan 8.240 nan 0.000 0.499 9 P HA 0.113 nan 4.420 nan 0.000 0.264 9 P C 0.630 177.978 177.300 0.081 0.000 1.179 9 P CA 0.159 63.312 63.100 0.088 0.000 0.763 9 P CB 0.281 32.011 31.700 0.050 0.000 0.806 10 N N 1.850 120.597 118.700 0.078 0.000 2.205 10 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 10 N C 0.035 175.576 175.510 0.051 0.000 1.015 10 N CA 0.660 53.752 53.050 0.069 0.000 0.862 10 N CB -0.000 38.527 38.487 0.067 0.000 0.986 10 N HN 0.354 nan 8.380 nan 0.000 0.429 11 I N 1.462 122.050 120.570 0.031 0.000 2.512 11 I HA 0.219 4.389 4.170 -0.000 0.000 0.287 11 I C -0.686 175.423 176.117 -0.013 0.000 1.069 11 I CA -0.621 60.682 61.300 0.005 0.000 1.056 11 I CB 2.117 40.109 38.000 -0.014 0.000 1.229 11 I HN -0.039 nan 8.210 nan 0.000 0.429 12 L N 5.825 127.047 121.223 -0.002 0.000 2.456 12 L HA 0.514 4.854 4.340 -0.000 0.000 0.257 12 L C 0.109 176.938 176.870 -0.068 0.000 1.162 12 L CA -0.580 54.256 54.840 -0.006 0.000 0.808 12 L CB 0.649 42.757 42.059 0.083 0.000 1.136 12 L HN 0.555 nan 8.230 nan 0.000 0.466 13 R N 0.729 121.165 120.500 -0.106 0.000 2.795 13 R HA 0.628 4.968 4.340 -0.000 0.000 0.275 13 R C -1.315 174.932 176.300 -0.087 0.000 0.981 13 R CA -0.891 55.122 56.100 -0.144 0.000 0.917 13 R CB 1.935 32.036 30.300 -0.332 0.000 1.202 13 R HN 0.401 nan 8.270 nan 0.000 0.469 14 L N 1.864 123.055 121.223 -0.052 0.000 2.375 14 L HA 0.265 4.605 4.340 -0.000 0.000 0.271 14 L C 0.304 177.153 176.870 -0.034 0.000 1.107 14 L CA -0.104 54.719 54.840 -0.028 0.000 0.806 14 L CB 0.822 42.871 42.059 -0.017 0.000 1.146 14 L HN 0.759 nan 8.230 nan 0.000 0.447 15 E N 0.536 120.716 120.200 -0.032 0.000 2.360 15 E HA -0.206 4.144 4.350 -0.000 0.000 0.238 15 E C -0.650 175.923 176.600 -0.046 0.000 1.186 15 E CA 0.602 56.979 56.400 -0.039 0.000 0.719 15 E CB -1.145 28.524 29.700 -0.052 0.000 1.236 15 E HN 0.677 nan 8.360 nan 0.000 0.386 16 S N -1.101 114.559 115.700 -0.067 0.000 2.550 16 S HA 0.420 4.890 4.470 -0.000 0.000 0.270 16 S C -0.650 173.854 174.600 -0.160 0.000 1.145 16 S CA -1.173 56.977 58.200 -0.082 0.000 0.852 16 S CB 1.930 65.091 63.200 -0.065 0.000 1.119 16 S HN 0.157 nan 8.310 nan 0.000 0.465 17 E N 1.515 121.622 120.200 -0.155 0.000 2.129 17 E HA 0.235 4.585 4.350 -0.000 0.000 0.283 17 E C -0.601 175.818 176.600 -0.303 0.000 1.080 17 E CA -0.277 55.984 56.400 -0.232 0.000 0.867 17 E CB 0.558 30.174 29.700 -0.139 0.000 1.056 17 E HN 0.421 nan 8.360 nan 0.000 0.404 18 E N 2.489 122.351 120.200 -0.563 0.000 2.151 18 E HA 0.200 4.550 4.350 -0.000 0.000 0.275 18 E C -0.278 176.044 176.600 -0.463 0.000 0.936 18 E CA -0.422 55.674 56.400 -0.507 0.000 0.777 18 E CB 1.767 31.142 29.700 -0.541 0.000 1.108 18 E HN 0.317 nan 8.360 nan 0.000 0.401 19 T N 2.236 116.697 114.554 -0.156 0.000 2.813 19 T HA 0.397 4.747 4.350 -0.000 0.000 0.297 19 T C 0.531 175.301 174.700 0.118 0.000 1.036 19 T CA -0.248 61.843 62.100 -0.015 0.000 1.044 19 T CB 0.504 69.380 68.868 0.014 0.000 0.993 19 T HN 0.400 nan 8.240 nan 0.000 0.535 20 M N 1.987 121.684 119.600 0.161 0.000 2.215 20 M HA 0.358 4.838 4.480 -0.000 0.000 0.251 20 M C -1.820 174.555 176.300 0.126 0.000 0.987 20 M CA -0.588 54.823 55.300 0.186 0.000 1.025 20 M CB 1.051 33.807 32.600 0.260 0.000 2.064 20 M HN 0.316 nan 8.290 nan 0.000 0.473 21 V N 6.242 126.229 119.914 0.121 0.000 2.387 21 V HA 0.267 4.387 4.120 -0.000 0.000 0.260 21 V C 0.165 176.335 176.094 0.127 0.000 1.054 21 V CA -0.175 62.197 62.300 0.119 0.000 0.967 21 V CB 0.412 32.322 31.823 0.145 0.000 1.036 21 V HN 0.776 nan 8.190 nan 0.000 0.481 22 L N 5.197 126.497 121.223 0.127 0.000 2.399 22 L HA 0.621 4.961 4.340 -0.000 0.000 0.266 22 L C 0.326 177.307 176.870 0.184 0.000 1.114 22 L CA -0.068 54.888 54.840 0.193 0.000 0.804 22 L CB 1.016 43.181 42.059 0.176 0.000 1.146 22 L HN 0.616 nan 8.230 nan 0.000 0.451 23 E N 0.451 120.779 120.200 0.213 0.000 2.445 23 E HA 0.766 5.115 4.350 -0.000 0.000 0.279 23 E C -1.656 174.904 176.600 -0.066 0.000 1.018 23 E CA -0.972 55.450 56.400 0.036 0.000 0.816 23 E CB 2.489 32.173 29.700 -0.026 0.000 1.356 23 E HN 0.575 nan 8.360 nan 0.000 0.462 24 A N 2.043 124.721 122.820 -0.236 0.000 2.550 24 A HA 0.371 4.691 4.320 -0.000 0.000 0.282 24 A C -1.559 175.761 177.584 -0.439 0.000 1.071 24 A CA -0.687 51.188 52.037 -0.270 0.000 0.838 24 A CB 0.501 19.518 19.000 0.028 0.000 1.361 24 A HN 0.530 nan 8.150 nan 0.000 0.408 25 H N 1.514 120.462 119.070 -0.204 0.000 2.487 25 H HA 0.300 4.856 4.556 -0.000 0.000 0.333 25 H C -0.454 174.745 175.328 -0.215 0.000 1.114 25 H CA 0.338 56.319 56.048 -0.112 0.000 1.310 25 H CB 1.208 30.968 29.762 -0.004 0.000 1.462 25 H HN 0.765 nan 8.280 nan 0.000 0.516 26 D N -0.194 120.191 120.400 -0.026 0.000 2.751 26 D HA -0.155 4.485 4.640 -0.000 0.000 0.233 26 D C -0.026 176.170 176.300 -0.173 0.000 1.149 26 D CA 0.915 54.870 54.000 -0.075 0.000 0.682 26 D CB -1.228 39.544 40.800 -0.047 0.000 1.068 26 D HN 0.713 nan 8.370 nan 0.000 0.429 27 A N -0.012 122.611 122.820 -0.328 0.000 2.303 27 A HA 0.596 4.916 4.320 -0.000 0.000 0.317 27 A C 0.351 177.796 177.584 -0.232 0.000 1.149 27 A CA -0.535 51.307 52.037 -0.326 0.000 0.822 27 A CB 1.269 20.011 19.000 -0.430 0.000 1.131 27 A HN -0.018 nan 8.150 nan 0.000 0.493 28 Q N 0.519 120.293 119.800 -0.044 0.000 2.274 28 Q HA 0.539 4.878 4.340 -0.000 0.000 0.260 28 Q C 0.757 176.829 176.000 0.120 0.000 0.974 28 Q CA 0.684 56.518 55.803 0.051 0.000 0.876 28 Q CB 1.636 30.397 28.738 0.037 0.000 1.297 28 Q HN 1.666 nan 8.270 nan 0.000 0.446 29 G N 3.571 112.461 108.800 0.151 0.000 2.575 29 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.267 29 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.267 29 G C -0.524 174.483 174.900 0.180 0.000 1.264 29 G CA -0.050 45.127 45.100 0.129 0.000 0.935 29 G HN 0.603 nan 8.290 nan 0.000 0.568 30 D N -0.892 119.575 120.400 0.112 0.000 2.423 30 D HA 0.589 5.229 4.640 -0.000 0.000 0.255 30 D C 0.189 176.565 176.300 0.127 0.000 1.174 30 D CA 0.546 54.610 54.000 0.106 0.000 1.008 30 D CB 1.728 42.559 40.800 0.053 0.000 1.101 30 D HN 1.127 nan 8.370 nan 0.000 0.516 31 V N 0.803 120.790 119.914 0.121 0.000 2.671 31 V HA 0.278 4.398 4.120 -0.000 0.000 0.292 31 V C -2.901 173.235 176.094 0.071 0.000 1.115 31 V CA -1.698 60.670 62.300 0.113 0.000 0.918 31 V CB 2.123 34.056 31.823 0.183 0.000 1.036 31 V HN 0.293 nan 8.190 nan 0.000 0.445 32 P HA 0.230 nan 4.420 nan 0.000 0.265 32 P C -0.729 176.538 177.300 -0.055 0.000 1.222 32 P CA 0.339 63.432 63.100 -0.011 0.000 0.767 32 P CB 0.808 32.497 31.700 -0.018 0.000 0.801 33 V N 4.217 124.080 119.914 -0.084 0.000 2.459 33 V HA 0.493 4.613 4.120 -0.000 0.000 0.295 33 V C 0.380 176.352 176.094 -0.203 0.000 1.029 33 V CA -0.369 61.805 62.300 -0.210 0.000 0.874 33 V CB 1.820 33.506 31.823 -0.227 0.000 0.985 33 V HN 0.582 nan 8.190 nan 0.000 0.438 34 T N 1.682 116.083 114.554 -0.255 0.000 2.833 34 T HA 0.673 5.023 4.350 -0.000 0.000 0.297 34 T C -0.736 173.828 174.700 -0.227 0.000 1.015 34 T CA -0.615 61.371 62.100 -0.190 0.000 0.963 34 T CB 1.180 69.967 68.868 -0.136 0.000 0.955 34 T HN 0.246 nan 8.240 nan 0.000 0.449 35 V N 4.242 124.035 119.914 -0.203 0.000 2.439 35 V HA 0.649 4.769 4.120 -0.000 0.000 0.282 35 V C 0.299 176.269 176.094 -0.207 0.000 1.039 35 V CA -0.286 61.882 62.300 -0.220 0.000 0.913 35 V CB 1.465 33.162 31.823 -0.209 0.000 0.983 35 V HN 1.137 nan 8.190 nan 0.000 0.460 36 T N 3.666 118.086 114.554 -0.223 0.000 2.909 36 T HA 0.653 5.003 4.350 -0.000 0.000 0.299 36 T C -0.872 173.627 174.700 -0.335 0.000 1.073 36 T CA -0.522 61.419 62.100 -0.265 0.000 0.999 36 T CB 2.014 70.767 68.868 -0.190 0.000 1.098 36 T HN 0.325 nan 8.240 nan 0.000 0.477 37 V N 2.673 122.319 119.914 -0.448 0.000 2.531 37 V HA 0.544 4.664 4.120 -0.000 0.000 0.301 37 V C -1.011 174.811 176.094 -0.455 0.000 1.034 37 V CA -0.852 61.227 62.300 -0.369 0.000 0.865 37 V CB 1.557 33.185 31.823 -0.325 0.000 0.995 37 V HN 0.927 nan 8.190 nan 0.000 0.424 38 H N 1.355 120.415 119.070 -0.017 0.000 2.731 38 H HA 0.555 5.111 4.556 -0.000 0.000 0.368 38 H C -0.613 174.753 175.328 0.063 0.000 1.168 38 H CA -0.909 55.148 56.048 0.016 0.000 1.181 38 H CB 1.374 31.144 29.762 0.013 0.000 1.743 38 H HN 0.789 nan 8.280 nan 0.000 0.547 39 D N 0.660 121.178 120.400 0.196 0.000 2.360 39 D HA 0.041 4.681 4.640 -0.000 0.000 0.242 39 D C -0.642 175.794 176.300 0.226 0.000 1.184 39 D CA -0.209 53.897 54.000 0.175 0.000 0.930 39 D CB 0.815 41.684 40.800 0.115 0.000 1.161 39 D HN 0.299 nan 8.370 nan 0.000 0.447 40 F N 0.157 120.161 119.950 0.090 0.000 2.518 40 F HA 0.455 4.982 4.527 -0.000 0.000 0.323 40 F C -2.363 173.484 175.800 0.078 0.000 1.129 40 F CA -1.642 56.408 58.000 0.083 0.000 0.920 40 F CB 1.586 40.654 39.000 0.114 0.000 1.160 40 F HN 0.206 nan 8.300 nan 0.000 0.440 41 P HA 0.724 nan 4.420 nan 0.000 0.312 41 P C -0.072 177.028 177.300 -0.333 0.000 1.308 41 P CA 0.144 62.728 63.100 -0.860 0.000 0.743 41 P CB 0.422 31.631 31.700 -0.820 0.000 1.364 42 G N -0.570 108.048 108.800 -0.304 0.000 2.632 42 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.224 42 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.224 42 G C -1.233 173.595 174.900 -0.120 0.000 1.341 42 G CA -0.503 44.497 45.100 -0.168 0.000 0.880 42 G HN 0.681 nan 8.290 nan 0.000 0.566 43 K N -0.189 120.158 120.400 -0.089 0.000 2.507 43 K HA 0.590 4.910 4.320 -0.000 0.000 0.252 43 K C 0.294 176.907 176.600 0.022 0.000 0.943 43 K CA -0.600 55.644 56.287 -0.072 0.000 0.808 43 K CB 2.390 34.783 32.500 -0.178 0.000 1.142 43 K HN 0.532 nan 8.250 nan 0.000 0.426 44 K N 2.173 122.640 120.400 0.111 0.000 2.538 44 K HA 0.154 4.474 4.320 -0.000 0.000 0.215 44 K C -0.512 176.155 176.600 0.113 0.000 1.345 44 K CA -0.137 56.202 56.287 0.087 0.000 0.985 44 K CB 0.553 33.089 32.500 0.060 0.000 1.116 44 K HN 0.464 nan 8.250 nan 0.000 0.582 45 L N 1.136 122.487 121.223 0.212 0.000 3.523 45 L HA -0.163 4.177 4.340 -0.000 0.000 0.668 45 L C 0.378 177.235 176.870 -0.022 0.000 1.211 45 L CA 0.469 55.351 54.840 0.070 0.000 1.096 45 L CB -1.167 40.945 42.059 0.089 0.000 1.617 45 L HN 0.120 nan 8.230 nan 0.000 0.873 46 V N 1.004 120.888 119.914 -0.049 0.000 2.667 46 V HA 0.179 4.299 4.120 -0.000 0.000 0.252 46 V C 0.957 177.023 176.094 -0.047 0.000 1.065 46 V CA 1.424 63.708 62.300 -0.027 0.000 1.083 46 V CB -0.048 31.773 31.823 -0.003 0.000 0.692 46 V HN 0.660 nan 8.190 nan 0.000 0.468 47 L N 0.362 121.516 121.223 -0.116 0.000 2.639 47 L HA 0.490 4.830 4.340 -0.000 0.000 0.264 47 L C 0.551 177.315 176.870 -0.177 0.000 0.948 47 L CA 0.522 55.300 54.840 -0.104 0.000 0.912 47 L CB 2.013 44.039 42.059 -0.055 0.000 1.294 47 L HN 0.152 nan 8.230 nan 0.000 0.412 48 S N 0.270 115.896 115.700 -0.123 0.000 2.505 48 S HA 0.125 4.594 4.470 -0.000 0.000 0.216 48 S C 0.862 175.408 174.600 -0.090 0.000 1.018 48 S CA 0.335 58.460 58.200 -0.126 0.000 0.911 48 S CB 0.122 63.275 63.200 -0.077 0.000 0.818 48 S HN 0.706 nan 8.310 nan 0.000 0.497 49 S N 1.631 117.293 115.700 -0.062 0.000 2.618 49 S HA 0.341 4.811 4.470 -0.000 0.000 0.254 49 S C -0.239 174.334 174.600 -0.046 0.000 1.284 49 S CA -0.256 57.919 58.200 -0.041 0.000 0.975 49 S CB -0.315 62.875 63.200 -0.017 0.000 1.022 49 S HN 0.364 nan 8.310 nan 0.000 0.571 50 E N 0.023 120.208 120.200 -0.024 0.000 3.375 50 E HA -0.129 4.221 4.350 -0.000 0.000 0.160 50 E C -0.900 175.672 176.600 -0.048 0.000 1.617 50 E CA 0.768 57.157 56.400 -0.017 0.000 0.787 50 E CB -1.775 27.932 29.700 0.011 0.000 1.087 50 E HN 0.838 nan 8.360 nan 0.000 0.375 51 K N -0.503 119.871 120.400 -0.043 0.000 2.378 51 K HA 0.791 5.111 4.320 -0.000 0.000 0.252 51 K C -0.284 176.292 176.600 -0.041 0.000 0.931 51 K CA -0.761 55.490 56.287 -0.060 0.000 0.794 51 K CB 2.937 35.399 32.500 -0.062 0.000 1.181 51 K HN 0.097 nan 8.250 nan 0.000 0.425 52 T N 0.805 115.331 114.554 -0.046 0.000 2.812 52 T HA 0.507 4.856 4.350 -0.000 0.000 0.294 52 T C -1.584 173.105 174.700 -0.018 0.000 1.159 52 T CA -0.678 61.408 62.100 -0.024 0.000 1.008 52 T CB 1.695 70.556 68.868 -0.010 0.000 1.289 52 T HN 0.375 nan 8.240 nan 0.000 0.514 53 V N 3.254 123.167 119.914 -0.001 0.000 2.540 53 V HA 0.485 4.605 4.120 -0.000 0.000 0.302 53 V C -0.261 175.851 176.094 0.029 0.000 1.035 53 V CA -0.881 61.429 62.300 0.016 0.000 0.873 53 V CB 1.613 33.442 31.823 0.010 0.000 0.992 53 V HN 0.727 nan 8.190 nan 0.000 0.428 54 L N 4.342 125.608 121.223 0.071 0.000 2.342 54 L HA 0.344 4.684 4.340 -0.000 0.000 0.285 54 L C 0.442 177.311 176.870 -0.002 0.000 1.095 54 L CA 0.094 54.980 54.840 0.076 0.000 0.843 54 L CB 0.279 42.459 42.059 0.203 0.000 1.201 54 L HN 0.612 nan 8.230 nan 0.000 0.445 55 T N 4.191 118.686 114.554 -0.098 0.000 2.856 55 T HA 0.176 4.526 4.350 -0.000 0.000 0.292 55 T C -1.586 172.873 174.700 -0.401 0.000 0.980 55 T CA -1.153 60.846 62.100 -0.169 0.000 1.091 55 T CB 1.622 70.429 68.868 -0.101 0.000 0.936 55 T HN 0.329 nan 8.240 nan 0.000 0.503 56 P HA -0.032 nan 4.420 nan 0.000 0.223 56 P C 1.027 178.152 177.300 -0.291 0.000 1.144 56 P CA 0.401 63.160 63.100 -0.569 0.000 0.783 56 P CB 0.053 31.638 31.700 -0.191 0.000 0.771 57 A N -0.816 121.887 122.820 -0.196 0.000 2.206 57 A HA -0.003 4.317 4.320 -0.000 0.000 0.211 57 A C 1.584 179.097 177.584 -0.117 0.000 1.158 57 A CA 1.522 53.488 52.037 -0.119 0.000 0.761 57 A CB -1.081 17.872 19.000 -0.078 0.000 0.801 57 A HN 0.306 nan 8.150 nan 0.000 0.473 58 T N -4.577 109.879 114.554 -0.163 0.000 3.252 58 T HA 0.226 4.576 4.350 -0.000 0.000 0.286 58 T C 0.184 174.792 174.700 -0.152 0.000 1.013 58 T CA 0.041 62.066 62.100 -0.125 0.000 0.914 58 T CB -0.418 68.394 68.868 -0.092 0.000 1.131 58 T HN 0.275 nan 8.240 nan 0.000 0.529 59 N N 2.810 121.389 118.700 -0.201 0.000 2.708 59 N HA -0.207 4.533 4.740 -0.000 0.000 0.251 59 N C -0.273 175.181 175.510 -0.093 0.000 1.123 59 N CA 1.398 54.337 53.050 -0.186 0.000 0.739 59 N CB -2.124 36.216 38.487 -0.244 0.000 1.113 59 N HN 0.819 nan 8.380 nan 0.000 0.561 60 H N -3.209 115.799 119.070 -0.105 0.000 2.826 60 H HA -0.186 4.370 4.556 -0.000 0.000 0.306 60 H C -0.093 175.196 175.328 -0.066 0.000 1.235 60 H CA 1.271 57.277 56.048 -0.070 0.000 1.150 60 H CB -1.624 28.087 29.762 -0.084 0.000 1.409 60 H HN 0.429 nan 8.280 nan 0.000 0.420 61 M N 0.692 120.296 119.600 0.006 0.000 2.227 61 M HA 0.434 4.914 4.480 -0.000 0.000 0.335 61 M C 1.071 177.392 176.300 0.035 0.000 1.053 61 M CA -0.130 55.183 55.300 0.021 0.000 0.973 61 M CB 2.162 34.756 32.600 -0.011 0.000 1.623 61 M HN 0.316 nan 8.290 nan 0.000 0.434 62 G N 1.542 110.384 108.800 0.069 0.000 2.521 62 G HA2 0.486 4.445 3.960 -0.000 0.000 0.323 62 G HA3 0.486 4.445 3.960 -0.000 0.000 0.323 62 G C -0.890 174.042 174.900 0.053 0.000 1.211 62 G CA -0.369 44.767 45.100 0.060 0.000 0.979 62 G HN 0.664 nan 8.290 nan 0.000 0.490 63 N N -0.522 118.204 118.700 0.043 0.000 2.699 63 N HA 0.246 4.985 4.740 -0.000 0.000 0.271 63 N C -1.170 174.368 175.510 0.046 0.000 1.216 63 N CA -0.363 52.715 53.050 0.046 0.000 0.844 63 N CB 1.665 40.173 38.487 0.034 0.000 1.462 63 N HN 0.562 nan 8.380 nan 0.000 0.555 64 V N 0.647 120.602 119.914 0.068 0.000 2.378 64 V HA 0.666 4.786 4.120 -0.000 0.000 0.288 64 V C 0.429 176.609 176.094 0.144 0.000 1.016 64 V CA -0.710 61.641 62.300 0.085 0.000 0.840 64 V CB 0.773 32.636 31.823 0.066 0.000 0.994 64 V HN 0.561 nan 8.190 nan 0.000 0.431 65 T N 3.496 118.108 114.554 0.095 0.000 2.733 65 T HA 0.745 5.095 4.350 -0.000 0.000 0.294 65 T C -0.509 174.244 174.700 0.089 0.000 0.956 65 T CA -0.388 61.739 62.100 0.045 0.000 0.987 65 T CB 0.450 69.311 68.868 -0.012 0.000 0.920 65 T HN 0.959 nan 8.240 nan 0.000 0.470 66 F N 0.221 120.159 119.950 -0.021 0.000 2.594 66 F HA 0.910 5.437 4.527 -0.000 0.000 0.335 66 F C -0.572 175.213 175.800 -0.025 0.000 1.058 66 F CA -1.116 56.867 58.000 -0.028 0.000 0.981 66 F CB 1.501 40.479 39.000 -0.037 0.000 1.289 66 F HN 0.430 nan 8.300 nan 0.000 0.490 67 T N 2.428 117.051 114.554 0.116 0.000 2.991 67 T HA 0.468 4.818 4.350 -0.000 0.000 0.303 67 T C -0.686 174.086 174.700 0.120 0.000 1.015 67 T CA -0.423 61.681 62.100 0.007 0.000 1.007 67 T CB 1.258 70.113 68.868 -0.022 0.000 1.034 67 T HN 0.562 nan 8.240 nan 0.000 0.446 68 I N 5.057 125.689 120.570 0.104 0.000 2.312 68 I HA 0.277 4.447 4.170 -0.000 0.000 0.291 68 I C -1.954 174.188 176.117 0.042 0.000 1.031 68 I CA -2.149 59.213 61.300 0.103 0.000 1.293 68 I CB 0.920 38.991 38.000 0.119 0.000 1.403 68 I HN 0.326 nan 8.210 nan 0.000 0.484 69 P HA 0.100 nan 4.420 nan 0.000 0.285 69 P C 0.178 177.488 177.300 0.016 0.000 1.282 69 P CA -0.076 63.035 63.100 0.019 0.000 0.778 69 P CB 0.735 32.446 31.700 0.018 0.000 1.222 70 A N -0.158 122.669 122.820 0.012 0.000 2.383 70 A HA 0.111 4.431 4.320 -0.000 0.000 0.225 70 A C 0.222 177.816 177.584 0.016 0.000 1.946 70 A CA 0.583 52.627 52.037 0.012 0.000 0.739 70 A CB -1.399 17.607 19.000 0.010 0.000 1.405 70 A HN 0.542 nan 8.150 nan 0.000 0.548 71 N N 0.185 118.895 118.700 0.016 0.000 2.716 71 N HA -0.157 4.583 4.740 -0.000 0.000 0.250 71 N C -0.022 175.499 175.510 0.019 0.000 1.033 71 N CA 1.058 54.118 53.050 0.017 0.000 0.727 71 N CB -1.282 37.216 38.487 0.018 0.000 0.950 71 N HN 0.611 nan 8.380 nan 0.000 0.541 79 G N 0.539 109.338 108.800 -0.002 0.000 2.428 79 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.199 79 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.199 79 G C -0.431 174.472 174.900 0.005 0.000 1.005 79 G CA -0.347 44.751 45.100 -0.003 0.000 0.671 79 G HN 0.282 nan 8.290 nan 0.000 0.485 80 R N 1.645 122.156 120.500 0.019 0.000 2.254 80 R HA 0.389 4.729 4.340 -0.000 0.000 0.318 80 R C -0.124 176.190 176.300 0.024 0.000 1.031 80 R CA -0.738 55.386 56.100 0.041 0.000 0.905 80 R CB 0.499 30.840 30.300 0.069 0.000 1.050 80 R HN 0.325 nan 8.270 nan 0.000 0.456 81 N N 2.856 121.555 118.700 -0.001 0.000 2.345 81 N HA -0.038 4.702 4.740 -0.000 0.000 0.243 81 N C -0.465 174.946 175.510 -0.165 0.000 1.246 81 N CA 0.630 53.590 53.050 -0.150 0.000 0.863 81 N CB 0.615 38.925 38.487 -0.294 0.000 1.096 81 N HN 0.331 nan 8.380 nan 0.000 0.446 82 K N 0.942 121.175 120.400 -0.280 0.000 2.207 82 K HA 0.482 4.802 4.320 -0.000 0.000 0.255 82 K C -0.710 175.678 176.600 -0.353 0.000 0.941 82 K CA -0.414 55.794 56.287 -0.132 0.000 0.825 82 K CB 1.135 33.620 32.500 -0.025 0.000 1.119 82 K HN 0.340 nan 8.250 nan 0.000 0.430 83 F N 0.582 120.562 119.950 0.050 0.000 2.575 83 F HA 0.517 5.044 4.527 -0.000 0.000 0.330 83 F C 0.093 175.929 175.800 0.061 0.000 1.056 83 F CA -1.093 56.900 58.000 -0.011 0.000 0.964 83 F CB 1.674 40.563 39.000 -0.186 0.000 1.258 83 F HN 0.172 nan 8.300 nan 0.000 0.484 84 V N -1.948 118.094 119.914 0.214 0.000 3.001 84 V HA 0.745 4.865 4.120 -0.000 0.000 0.314 84 V C -0.814 175.362 176.094 0.136 0.000 1.099 84 V CA -0.699 61.707 62.300 0.177 0.000 0.989 84 V CB 1.597 33.482 31.823 0.103 0.000 1.040 84 V HN 0.711 nan 8.190 nan 0.000 0.434 85 T N 2.465 117.118 114.554 0.165 0.000 2.821 85 T HA 0.517 4.867 4.350 -0.000 0.000 0.307 85 T C -0.213 174.522 174.700 0.058 0.000 1.034 85 T CA -0.234 61.948 62.100 0.137 0.000 0.953 85 T CB 0.902 69.921 68.868 0.252 0.000 0.968 85 T HN 0.692 nan 8.240 nan 0.000 0.462 86 V N 4.196 124.103 119.914 -0.012 0.000 2.555 86 V HA 0.297 4.417 4.120 -0.000 0.000 0.286 86 V C 0.369 176.433 176.094 -0.050 0.000 1.044 86 V CA -0.271 61.976 62.300 -0.089 0.000 1.026 86 V CB 1.157 32.909 31.823 -0.118 0.000 0.981 86 V HN 0.819 nan 8.190 nan 0.000 0.480 87 Q N 3.551 123.304 119.800 -0.078 0.000 2.397 87 Q HA 0.642 4.982 4.340 -0.000 0.000 0.260 87 Q C -0.843 175.083 176.000 -0.122 0.000 1.002 87 Q CA -0.533 55.242 55.803 -0.048 0.000 0.716 87 Q CB 1.529 30.287 28.738 0.033 0.000 1.258 87 Q HN 0.890 nan 8.270 nan 0.000 0.477 88 A N 3.133 125.865 122.820 -0.146 0.000 2.249 88 A HA 0.560 4.880 4.320 -0.000 0.000 0.314 88 A C -0.457 176.895 177.584 -0.387 0.000 1.290 88 A CA -0.375 51.468 52.037 -0.323 0.000 0.893 88 A CB 1.079 19.852 19.000 -0.379 0.000 1.165 88 A HN 0.608 nan 8.150 nan 0.000 0.530 89 T N 3.329 117.640 114.554 -0.404 0.000 2.753 89 T HA 0.380 4.730 4.350 -0.000 0.000 0.297 89 T C -0.602 173.844 174.700 -0.422 0.000 0.981 89 T CA 0.227 62.153 62.100 -0.290 0.000 0.956 89 T CB -0.407 68.366 68.868 -0.158 0.000 0.936 89 T HN 0.365 nan 8.240 nan 0.000 0.463 90 F N 3.375 123.175 119.950 -0.250 0.000 2.605 90 F HA 0.440 4.967 4.527 -0.000 0.000 0.352 90 F C 1.629 177.226 175.800 -0.337 0.000 1.236 90 F CA -0.159 57.616 58.000 -0.375 0.000 1.267 90 F CB -0.338 38.179 39.000 -0.804 0.000 1.632 90 F HN 0.894 nan 8.300 nan 0.000 0.639 91 G N 1.349 110.094 108.800 -0.091 0.000 5.155 91 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.239 91 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.239 91 G C 1.106 175.975 174.900 -0.050 0.000 1.409 91 G CA 0.889 45.955 45.100 -0.057 0.000 0.927 91 G HN 0.430 nan 8.290 nan 0.000 0.710 92 T N -0.170 114.354 114.554 -0.049 0.000 3.177 92 T HA 0.292 4.642 4.350 -0.000 0.000 0.262 92 T C 0.713 175.402 174.700 -0.019 0.000 0.959 92 T CA 0.885 62.969 62.100 -0.026 0.000 0.996 92 T CB 0.379 69.244 68.868 -0.005 0.000 1.185 92 T HN 0.567 nan 8.240 nan 0.000 0.486 93 Q N 3.075 122.858 119.800 -0.027 0.000 2.271 93 Q HA 0.364 4.704 4.340 -0.000 0.000 0.273 93 Q C -0.749 175.277 176.000 0.043 0.000 1.051 93 Q CA 0.028 55.838 55.803 0.012 0.000 0.901 93 Q CB 0.603 29.360 28.738 0.031 0.000 1.174 93 Q HN 0.226 nan 8.270 nan 0.000 0.385 94 V N 5.551 125.497 119.914 0.053 0.000 2.472 94 V HA 0.687 4.807 4.120 -0.000 0.000 0.290 94 V C -1.125 175.027 176.094 0.097 0.000 1.037 94 V CA -0.557 61.776 62.300 0.055 0.000 0.908 94 V CB 1.748 33.579 31.823 0.013 0.000 0.985 94 V HN 0.628 nan 8.190 nan 0.000 0.454 95 V N 7.404 127.395 119.914 0.129 0.000 2.482 95 V HA 0.555 4.675 4.120 -0.000 0.000 0.295 95 V C -0.381 175.753 176.094 0.067 0.000 1.026 95 V CA -0.572 61.805 62.300 0.128 0.000 0.856 95 V CB 1.671 33.630 31.823 0.226 0.000 1.001 95 V HN 1.018 nan 8.190 nan 0.000 0.424 96 E N 3.647 123.870 120.200 0.039 0.000 2.312 96 E HA 0.899 5.249 4.350 -0.000 0.000 0.267 96 E C -1.184 175.420 176.600 0.007 0.000 0.894 96 E CA -1.329 55.082 56.400 0.018 0.000 0.773 96 E CB 3.239 32.956 29.700 0.029 0.000 1.241 96 E HN 0.364 nan 8.360 nan 0.000 0.432 97 K N 0.924 121.321 120.400 -0.006 0.000 2.542 97 K HA 0.331 4.651 4.320 -0.000 0.000 0.259 97 K C -1.982 174.601 176.600 -0.027 0.000 0.932 97 K CA -0.711 55.563 56.287 -0.021 0.000 0.820 97 K CB 2.310 34.791 32.500 -0.031 0.000 1.345 97 K HN 0.445 nan 8.250 nan 0.000 0.432 98 V N 3.956 123.831 119.914 -0.065 0.000 2.439 98 V HA 0.558 4.678 4.120 -0.000 0.000 0.282 98 V C -0.467 175.608 176.094 -0.032 0.000 1.039 98 V CA -0.710 61.529 62.300 -0.101 0.000 0.913 98 V CB 1.368 32.994 31.823 -0.328 0.000 0.983 98 V HN 0.540 nan 8.190 nan 0.000 0.460 99 V N 5.253 125.200 119.914 0.054 0.000 2.823 99 V HA 0.461 4.581 4.120 -0.000 0.000 0.312 99 V C -0.237 175.978 176.094 0.202 0.000 1.072 99 V CA -0.867 61.500 62.300 0.113 0.000 0.937 99 V CB 1.988 33.857 31.823 0.077 0.000 1.013 99 V HN 0.696 nan 8.190 nan 0.000 0.430 100 L N 4.255 125.584 121.223 0.176 0.000 2.439 100 L HA 0.515 4.855 4.340 -0.000 0.000 0.269 100 L C -0.300 176.492 176.870 -0.130 0.000 1.179 100 L CA 0.653 55.448 54.840 -0.075 0.000 0.828 100 L CB 1.182 43.205 42.059 -0.061 0.000 1.106 100 L HN 0.465 nan 8.230 nan 0.000 0.467 101 V N 3.685 123.444 119.914 -0.259 0.000 2.604 101 V HA 0.513 4.633 4.120 -0.000 0.000 0.305 101 V C -0.177 175.827 176.094 -0.150 0.000 1.043 101 V CA -0.611 61.602 62.300 -0.146 0.000 0.888 101 V CB 1.669 33.431 31.823 -0.102 0.000 0.995 101 V HN 0.873 nan 8.190 nan 0.000 0.429 102 S N 3.499 119.142 115.700 -0.096 0.000 2.525 102 S HA 0.485 4.955 4.470 -0.000 0.000 0.290 102 S C 0.583 175.154 174.600 -0.048 0.000 1.152 102 S CA -0.720 57.437 58.200 -0.073 0.000 1.072 102 S CB 1.029 64.196 63.200 -0.055 0.000 1.027 102 S HN 0.566 nan 8.310 nan 0.000 0.500 103 L N 3.263 124.465 121.223 -0.036 0.000 2.554 103 L HA 0.184 4.524 4.340 -0.000 0.000 0.226 103 L C 0.923 177.797 176.870 0.006 0.000 1.137 103 L CA 0.901 55.731 54.840 -0.017 0.000 0.863 103 L CB -1.108 40.940 42.059 -0.018 0.000 0.985 103 L HN 0.741 nan 8.230 nan 0.000 0.451 104 Q N 0.014 119.828 119.800 0.024 0.000 2.271 104 Q HA 0.006 4.346 4.340 -0.000 0.000 0.273 104 Q C 1.301 177.344 176.000 0.072 0.000 1.051 104 Q CA 0.199 56.033 55.803 0.052 0.000 0.901 104 Q CB 0.778 29.573 28.738 0.095 0.000 1.174 104 Q HN 0.245 nan 8.270 nan 0.000 0.385 105 S N 1.513 117.165 115.700 -0.080 0.000 2.486 105 S HA 0.312 4.782 4.470 -0.000 0.000 0.220 105 S C 0.824 175.120 174.600 -0.507 0.000 1.011 105 S CA 0.261 58.338 58.200 -0.206 0.000 0.921 105 S CB 0.539 63.514 63.200 -0.376 0.000 0.785 105 S HN 0.760 nan 8.310 nan 0.000 0.517 106 G N -0.481 107.900 108.800 -0.699 0.000 2.356 106 G HA2 0.463 4.422 3.960 -0.000 0.000 0.281 106 G HA3 0.463 4.422 3.960 -0.000 0.000 0.281 106 G C -2.065 172.442 174.900 -0.655 0.000 1.246 106 G CA -0.897 43.630 45.100 -0.955 0.000 0.889 106 G HN 0.178 nan 8.290 nan 0.000 0.486 107 Y N -0.890 119.317 120.300 -0.155 0.000 2.598 107 Y HA 0.842 5.392 4.550 -0.000 0.000 0.340 107 Y C 0.214 175.585 175.900 -0.882 0.000 1.038 107 Y CA -1.012 56.797 58.100 -0.485 0.000 1.100 107 Y CB 2.203 40.376 38.460 -0.478 0.000 1.281 107 Y HN 0.389 nan 8.280 nan 0.000 0.488 108 L N 2.285 122.454 121.223 -1.757 0.000 2.438 108 L HA 0.511 4.850 4.340 -0.000 0.000 0.270 108 L C -1.731 174.515 176.870 -1.040 0.000 0.972 108 L CA -0.530 53.579 54.840 -1.219 0.000 0.831 108 L CB 1.710 43.104 42.059 -1.109 0.000 1.273 108 L HN 0.478 nan 8.230 nan 0.000 0.405 109 F N 3.709 123.600 119.950 -0.099 0.000 2.427 109 F HA 0.532 5.058 4.527 -0.000 0.000 0.348 109 F C 0.164 176.079 175.800 0.191 0.000 1.125 109 F CA -0.487 57.561 58.000 0.080 0.000 0.989 109 F CB 1.431 40.500 39.000 0.114 0.000 1.165 109 F HN 0.156 nan 8.300 nan 0.000 0.442 110 I N 3.278 124.022 120.570 0.290 0.000 2.353 110 I HA 0.343 4.513 4.170 -0.000 0.000 0.293 110 I C -0.415 175.862 176.117 0.265 0.000 0.992 110 I CA -0.573 60.859 61.300 0.220 0.000 1.268 110 I CB 1.667 39.764 38.000 0.161 0.000 1.387 110 I HN 0.575 nan 8.210 nan 0.000 0.478 111 Q N 5.650 125.589 119.800 0.233 0.000 2.310 111 Q HA 0.418 4.758 4.340 -0.000 0.000 0.270 111 Q C -1.153 174.964 176.000 0.196 0.000 1.025 111 Q CA -0.674 55.276 55.803 0.245 0.000 0.772 111 Q CB 2.059 31.004 28.738 0.345 0.000 1.253 111 Q HN 0.791 nan 8.270 nan 0.000 0.450 112 T N 0.204 114.878 114.554 0.200 0.000 2.823 112 T HA 0.200 4.550 4.350 -0.000 0.000 0.279 112 T C 0.960 175.780 174.700 0.199 0.000 0.998 112 T CA -0.491 61.729 62.100 0.200 0.000 0.994 112 T CB 1.211 70.201 68.868 0.202 0.000 0.960 112 T HN 0.689 nan 8.240 nan 0.000 0.448 113 D N 3.003 123.515 120.400 0.188 0.000 2.103 113 D HA -0.150 4.490 4.640 -0.000 0.000 0.190 113 D C 0.459 176.797 176.300 0.063 0.000 0.997 113 D CA 1.341 55.418 54.000 0.129 0.000 0.833 113 D CB -0.009 40.857 40.800 0.110 0.000 0.961 113 D HN 0.592 nan 8.370 nan 0.000 0.447 114 K N -0.827 119.566 120.400 -0.010 0.000 2.210 114 K HA 0.342 4.662 4.320 -0.000 0.000 0.236 114 K C 1.251 177.742 176.600 -0.182 0.000 1.016 114 K CA 0.017 56.122 56.287 -0.304 0.000 0.913 114 K CB 1.530 33.595 32.500 -0.725 0.000 1.141 114 K HN 0.145 nan 8.250 nan 0.000 0.462 115 T N -2.401 112.003 114.554 -0.249 0.000 3.015 115 T HA 0.243 4.593 4.350 -0.000 0.000 0.250 115 T C 0.772 175.476 174.700 0.007 0.000 1.057 115 T CA -0.016 62.071 62.100 -0.022 0.000 1.066 115 T CB 0.133 68.991 68.868 -0.016 0.000 0.959 115 T HN 0.467 nan 8.240 nan 0.000 0.488 116 I N 0.368 120.789 120.570 -0.248 0.000 2.686 116 I HA 0.609 4.779 4.170 -0.000 0.000 0.295 116 I C -1.891 174.133 176.117 -0.156 0.000 1.114 116 I CA -1.711 59.534 61.300 -0.091 0.000 1.038 116 I CB 2.223 40.061 38.000 -0.269 0.000 1.238 116 I HN 0.092 nan 8.210 nan 0.000 0.420 117 Y N 3.099 123.593 120.300 0.323 0.000 2.536 117 Y HA 0.519 5.069 4.550 -0.000 0.000 0.347 117 Y C 0.155 176.179 175.900 0.206 0.000 1.000 117 Y CA -0.763 57.498 58.100 0.269 0.000 1.051 117 Y CB 2.308 40.851 38.460 0.138 0.000 1.259 117 Y HN 0.501 nan 8.280 nan 0.000 0.468 118 T N -0.604 114.018 114.554 0.114 0.000 2.867 118 T HA 0.451 4.801 4.350 -0.000 0.000 0.282 118 T C -2.940 171.722 174.700 -0.063 0.000 1.000 118 T CA -2.803 59.232 62.100 -0.107 0.000 1.042 118 T CB 1.415 70.061 68.868 -0.369 0.000 0.973 118 T HN 0.178 nan 8.240 nan 0.000 0.465 119 P HA 0.285 nan 4.420 nan 0.000 0.260 119 P C 1.064 178.299 177.300 -0.109 0.000 1.207 119 P CA 0.937 63.985 63.100 -0.086 0.000 0.780 119 P CB 0.010 31.683 31.700 -0.045 0.000 0.789 120 G N 1.982 110.693 108.800 -0.148 0.000 2.480 120 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.193 120 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.193 120 G C 0.420 175.232 174.900 -0.147 0.000 1.004 120 G CA 0.187 45.201 45.100 -0.142 0.000 0.696 120 G HN 0.665 nan 8.290 nan 0.000 0.478 121 S N -0.012 115.611 115.700 -0.129 0.000 2.686 121 S HA 0.743 5.213 4.470 -0.000 0.000 0.270 121 S C 0.011 174.522 174.600 -0.149 0.000 1.194 121 S CA 0.505 58.652 58.200 -0.089 0.000 0.990 121 S CB 1.708 64.911 63.200 0.006 0.000 1.029 121 S HN 0.521 nan 8.310 nan 0.000 0.560 122 T N 0.947 115.447 114.554 -0.091 0.000 2.823 122 T HA 0.542 4.892 4.350 -0.000 0.000 0.279 122 T C -0.773 173.867 174.700 -0.100 0.000 0.998 122 T CA -0.594 61.420 62.100 -0.143 0.000 0.994 122 T CB 1.333 70.141 68.868 -0.100 0.000 0.960 122 T HN 0.511 nan 8.240 nan 0.000 0.448 123 V N 4.762 124.536 119.914 -0.233 0.000 2.370 123 V HA 0.382 4.502 4.120 -0.000 0.000 0.279 123 V C -0.167 175.908 176.094 -0.033 0.000 1.029 123 V CA -0.714 61.374 62.300 -0.353 0.000 0.870 123 V CB 0.813 32.142 31.823 -0.823 0.000 0.984 123 V HN 0.694 nan 8.190 nan 0.000 0.451 124 L N 7.312 128.561 121.223 0.043 0.000 2.262 124 L HA 0.567 4.907 4.340 -0.000 0.000 0.288 124 L C -0.707 176.216 176.870 0.088 0.000 1.035 124 L CA -0.556 54.304 54.840 0.033 0.000 0.820 124 L CB 0.440 42.510 42.059 0.019 0.000 1.204 124 L HN 0.767 nan 8.230 nan 0.000 0.424 125 Y N 1.221 121.468 120.300 -0.088 0.000 2.442 125 Y HA 0.758 5.308 4.550 -0.000 0.000 0.344 125 Y C -0.683 175.144 175.900 -0.121 0.000 0.976 125 Y CA -1.274 56.773 58.100 -0.089 0.000 1.040 125 Y CB 1.337 39.732 38.460 -0.109 0.000 1.228 125 Y HN 0.381 nan 8.280 nan 0.000 0.451 126 R N 3.196 123.624 120.500 -0.120 0.000 2.637 126 R HA 0.639 4.979 4.340 -0.000 0.000 0.291 126 R C -1.656 174.414 176.300 -0.383 0.000 0.963 126 R CA -1.086 54.807 56.100 -0.345 0.000 0.901 126 R CB 2.169 32.184 30.300 -0.476 0.000 1.160 126 R HN 0.707 nan 8.270 nan 0.000 0.457 127 I N 3.335 123.667 120.570 -0.397 0.000 2.355 127 I HA 0.250 4.420 4.170 -0.000 0.000 0.288 127 I C -0.733 175.169 176.117 -0.358 0.000 0.999 127 I CA -0.200 60.931 61.300 -0.282 0.000 1.163 127 I CB 0.795 38.707 38.000 -0.147 0.000 1.316 127 I HN 0.363 nan 8.210 nan 0.000 0.454 128 F N 4.065 124.029 119.950 0.023 0.000 2.424 128 F HA 0.434 4.961 4.527 -0.000 0.000 0.356 128 F C 0.925 176.735 175.800 0.018 0.000 1.110 128 F CA -0.709 57.321 58.000 0.050 0.000 1.161 128 F CB 0.982 40.062 39.000 0.133 0.000 1.115 128 F HN 0.395 nan 8.300 nan 0.000 0.507 129 T N 1.908 116.568 114.554 0.175 0.000 2.788 129 T HA 0.724 5.074 4.350 -0.000 0.000 0.296 129 T C -0.530 174.291 174.700 0.201 0.000 1.009 129 T CA -0.659 61.529 62.100 0.147 0.000 0.949 129 T CB 0.615 69.551 68.868 0.114 0.000 0.946 129 T HN 0.566 nan 8.240 nan 0.000 0.453 130 V N 1.149 121.191 119.914 0.214 0.000 3.160 130 V HA 0.789 4.909 4.120 -0.000 0.000 0.310 130 V C -0.533 175.607 176.094 0.078 0.000 1.181 130 V CA -1.415 60.982 62.300 0.162 0.000 1.047 130 V CB 1.848 33.794 31.823 0.204 0.000 1.068 130 V HN 0.960 nan 8.190 nan 0.000 0.441 131 N N -0.306 118.413 118.700 0.033 0.000 2.531 131 N HA 0.287 5.027 4.740 -0.000 0.000 0.301 131 N C 0.666 176.148 175.510 -0.047 0.000 1.310 131 N CA 0.214 53.212 53.050 -0.086 0.000 0.949 131 N CB -0.465 38.014 38.487 -0.013 0.000 1.111 131 N HN 0.804 nan 8.380 nan 0.000 0.565 132 H N -1.442 117.628 119.070 0.000 0.000 2.521 132 H HA 0.152 4.707 4.556 -0.000 0.000 0.286 132 H C 0.470 175.945 175.328 0.245 0.000 1.034 132 H CA 1.107 57.234 56.048 0.131 0.000 1.278 132 H CB 0.130 29.906 29.762 0.023 0.000 1.386 132 H HN 0.480 nan 8.280 nan 0.000 0.567 133 K N 0.632 121.183 120.400 0.252 0.000 2.410 133 K HA 0.158 4.478 4.320 -0.000 0.000 0.200 133 K C 0.126 176.836 176.600 0.183 0.000 1.023 133 K CA 0.067 56.473 56.287 0.198 0.000 1.149 133 K CB 0.700 33.276 32.500 0.127 0.000 0.859 133 K HN 0.164 nan 8.250 nan 0.000 0.514 134 L N 0.133 121.482 121.223 0.210 0.000 4.813 134 L HA -0.264 4.076 4.340 -0.000 0.000 0.434 134 L C -0.292 176.642 176.870 0.107 0.000 1.106 134 L CA 0.456 55.392 54.840 0.160 0.000 0.991 134 L CB -1.588 40.522 42.059 0.085 0.000 2.005 134 L HN 0.263 nan 8.230 nan 0.000 0.817 135 L N 2.021 123.305 121.223 0.102 0.000 2.326 135 L HA 0.371 4.711 4.340 -0.000 0.000 0.278 135 L C -1.438 175.476 176.870 0.074 0.000 1.092 135 L CA -1.731 53.153 54.840 0.074 0.000 0.810 135 L CB 0.575 42.672 42.059 0.063 0.000 1.153 135 L HN -0.209 nan 8.230 nan 0.000 0.439 136 P HA -0.011 nan 4.420 nan 0.000 0.267 136 P C -0.759 176.578 177.300 0.062 0.000 1.201 136 P CA 0.144 63.291 63.100 0.078 0.000 0.775 136 P CB 1.523 33.263 31.700 0.066 0.000 0.854 137 V N 1.134 121.090 119.914 0.070 0.000 3.048 137 V HA 0.651 4.771 4.120 -0.000 0.000 0.303 137 V C -0.509 175.623 176.094 0.063 0.000 1.214 137 V CA -0.579 61.751 62.300 0.050 0.000 0.984 137 V CB 2.451 34.288 31.823 0.023 0.000 1.054 137 V HN 0.705 nan 8.190 nan 0.000 0.430 138 G N 5.010 113.836 108.800 0.043 0.000 2.404 138 G HA2 0.698 4.658 3.960 -0.000 0.000 0.316 138 G HA3 0.698 4.658 3.960 -0.000 0.000 0.316 138 G C -0.512 174.420 174.900 0.053 0.000 1.074 138 G CA -0.397 44.730 45.100 0.044 0.000 0.989 138 G HN 0.572 nan 8.290 nan 0.000 0.430 139 R N 0.998 121.554 120.500 0.093 0.000 2.885 139 R HA 0.560 4.900 4.340 -0.000 0.000 0.260 139 R C -0.658 175.700 176.300 0.097 0.000 1.107 139 R CA -0.758 55.414 56.100 0.121 0.000 0.978 139 R CB 1.070 31.513 30.300 0.239 0.000 1.227 139 R HN 0.383 nan 8.270 nan 0.000 0.473 140 T N 1.144 115.755 114.554 0.094 0.000 2.744 140 T HA 0.427 4.777 4.350 -0.000 0.000 0.291 140 T C -0.158 174.534 174.700 -0.014 0.000 0.957 140 T CA -0.421 61.695 62.100 0.026 0.000 1.002 140 T CB 0.996 69.873 68.868 0.015 0.000 0.919 140 T HN 0.113 nan 8.240 nan 0.000 0.468 141 V N 5.184 125.032 119.914 -0.110 0.000 2.555 141 V HA 0.482 4.602 4.120 -0.000 0.000 0.302 141 V C -0.203 175.721 176.094 -0.284 0.000 1.038 141 V CA -0.948 61.206 62.300 -0.244 0.000 0.887 141 V CB 1.805 33.461 31.823 -0.279 0.000 0.991 141 V HN 0.785 nan 8.190 nan 0.000 0.434 142 M N 4.899 124.200 119.600 -0.497 0.000 2.101 142 M HA 0.501 4.981 4.480 -0.000 0.000 0.340 142 M C -0.839 175.210 176.300 -0.419 0.000 1.057 142 M CA -0.438 54.545 55.300 -0.528 0.000 0.984 142 M CB 1.228 33.306 32.600 -0.872 0.000 1.560 142 M HN 0.332 nan 8.290 nan 0.000 0.435 143 V N 4.826 124.627 119.914 -0.187 0.000 2.448 143 V HA 0.486 4.606 4.120 -0.000 0.000 0.295 143 V C 0.020 176.087 176.094 -0.046 0.000 1.025 143 V CA -0.746 61.506 62.300 -0.079 0.000 0.859 143 V CB 1.798 33.619 31.823 -0.004 0.000 0.988 143 V HN 0.819 nan 8.190 nan 0.000 0.431 144 N N 4.070 122.757 118.700 -0.022 0.000 2.381 144 N HA 0.706 5.446 4.740 -0.000 0.000 0.294 144 N C -1.370 174.083 175.510 -0.094 0.000 1.216 144 N CA -0.797 52.227 53.050 -0.044 0.000 0.803 144 N CB 2.858 41.351 38.487 0.011 0.000 1.372 144 N HN 0.446 nan 8.380 nan 0.000 0.500 145 I N 1.442 121.924 120.570 -0.147 0.000 2.468 145 I HA 0.234 4.404 4.170 -0.000 0.000 0.284 145 I C -0.628 175.436 176.117 -0.087 0.000 1.038 145 I CA -0.410 60.799 61.300 -0.151 0.000 1.083 145 I CB 1.750 39.519 38.000 -0.385 0.000 1.223 145 I HN 0.337 nan 8.210 nan 0.000 0.443 146 E N 4.710 124.879 120.200 -0.052 0.000 2.214 146 E HA 0.288 4.638 4.350 -0.000 0.000 0.274 146 E C -0.716 175.662 176.600 -0.371 0.000 0.977 146 E CA -0.900 55.408 56.400 -0.154 0.000 0.827 146 E CB 1.521 31.134 29.700 -0.146 0.000 1.130 146 E HN 0.548 nan 8.360 nan 0.000 0.394 147 N N 1.625 119.920 118.700 -0.673 0.000 2.413 147 N HA 0.144 4.884 4.740 -0.000 0.000 0.266 147 N C -2.211 172.752 175.510 -0.912 0.000 1.238 147 N CA -1.792 50.403 53.050 -1.426 0.000 0.972 147 N CB -0.207 37.610 38.487 -1.116 0.000 1.210 147 N HN 0.018 nan 8.380 nan 0.000 0.547 148 P HA -0.191 nan 4.420 nan 0.000 0.217 148 P C 0.282 177.394 177.300 -0.314 0.000 1.148 148 P CA 1.758 64.563 63.100 -0.492 0.000 0.834 148 P CB -0.059 31.424 31.700 -0.362 0.000 0.783 149 E N -0.922 119.099 120.200 -0.299 0.000 2.368 149 E HA 0.250 4.600 4.350 -0.000 0.000 0.188 149 E C 0.585 177.077 176.600 -0.179 0.000 1.061 149 E CA 0.067 56.351 56.400 -0.193 0.000 0.933 149 E CB -1.024 28.586 29.700 -0.150 0.000 1.091 149 E HN 0.051 nan 8.360 nan 0.000 0.458 150 G N 2.084 110.755 108.800 -0.215 0.000 2.359 150 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.298 150 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.298 150 G C -0.218 174.594 174.900 -0.147 0.000 1.030 150 G CA 0.131 45.129 45.100 -0.170 0.000 1.149 150 G HN 0.364 nan 8.290 nan 0.000 0.512 151 I N 0.642 121.104 120.570 -0.180 0.000 2.476 151 I HA 0.271 4.441 4.170 -0.000 0.000 0.281 151 I C -2.272 173.771 176.117 -0.122 0.000 1.040 151 I CA -2.897 58.325 61.300 -0.130 0.000 1.094 151 I CB 1.783 39.715 38.000 -0.115 0.000 1.219 151 I HN -0.113 nan 8.210 nan 0.000 0.450 152 P HA 0.038 nan 4.420 nan 0.000 0.265 152 P C 0.972 178.240 177.300 -0.053 0.000 1.193 152 P CA 0.224 63.281 63.100 -0.072 0.000 0.765 152 P CB 0.952 32.623 31.700 -0.048 0.000 0.823 153 V N 0.365 120.239 119.914 -0.066 0.000 3.371 153 V HA 0.331 4.451 4.120 -0.000 0.000 0.246 153 V C 0.427 176.478 176.094 -0.071 0.000 1.303 153 V CA 0.655 62.942 62.300 -0.022 0.000 1.156 153 V CB -0.256 31.613 31.823 0.077 0.000 0.929 153 V HN 0.361 nan 8.190 nan 0.000 0.459 154 K N 1.971 122.256 120.400 -0.191 0.000 2.468 154 K HA 0.533 4.853 4.320 -0.000 0.000 0.252 154 K C -1.653 174.861 176.600 -0.143 0.000 0.932 154 K CA -0.480 55.692 56.287 -0.191 0.000 0.794 154 K CB 1.929 34.187 32.500 -0.405 0.000 1.241 154 K HN 0.446 nan 8.250 nan 0.000 0.428 155 Q N 2.962 122.720 119.800 -0.071 0.000 2.285 155 Q HA 0.421 4.761 4.340 -0.000 0.000 0.269 155 Q C -1.422 174.560 176.000 -0.031 0.000 1.030 155 Q CA -0.813 54.962 55.803 -0.046 0.000 0.788 155 Q CB 2.272 30.996 28.738 -0.022 0.000 1.266 155 Q HN 0.490 nan 8.270 nan 0.000 0.438 156 D N 0.979 121.358 120.400 -0.034 0.000 2.414 156 D HA 0.501 5.141 4.640 -0.000 0.000 0.241 156 D C -0.690 175.575 176.300 -0.058 0.000 1.008 156 D CA -0.622 53.360 54.000 -0.031 0.000 1.001 156 D CB 1.833 42.624 40.800 -0.014 0.000 1.277 156 D HN 0.467 nan 8.370 nan 0.000 0.538 157 S N 0.805 116.472 115.700 -0.055 0.000 2.440 157 S HA 0.323 4.793 4.470 -0.000 0.000 0.142 157 S C -1.238 173.326 174.600 -0.060 0.000 1.578 157 S CA -0.552 57.606 58.200 -0.071 0.000 1.260 157 S CB -0.324 62.844 63.200 -0.053 0.000 1.407 157 S HN 0.278 nan 8.310 nan 0.000 0.392 158 L N 2.173 123.354 121.223 -0.070 0.000 2.400 158 L HA 0.810 5.150 4.340 -0.000 0.000 0.264 158 L C 0.054 176.887 176.870 -0.060 0.000 1.061 158 L CA 0.096 54.899 54.840 -0.061 0.000 0.799 158 L CB 1.855 43.872 42.059 -0.070 0.000 1.240 158 L HN 0.422 nan 8.230 nan 0.000 0.461 159 S N -0.725 114.948 115.700 -0.045 0.000 2.500 159 S HA 0.401 4.871 4.470 -0.000 0.000 0.301 159 S C 0.351 174.936 174.600 -0.026 0.000 1.092 159 S CA -0.079 58.104 58.200 -0.029 0.000 1.030 159 S CB 1.107 64.299 63.200 -0.013 0.000 1.031 159 S HN 0.724 nan 8.310 nan 0.000 0.483 160 S N 3.105 118.797 115.700 -0.013 0.000 2.803 160 S HA 0.124 4.594 4.470 -0.000 0.000 0.228 160 S C 0.422 175.026 174.600 0.006 0.000 0.953 160 S CA -0.193 58.002 58.200 -0.007 0.000 0.983 160 S CB -0.345 62.861 63.200 0.010 0.000 0.784 160 S HN 0.709 nan 8.310 nan 0.000 0.498 161 Q N 2.678 122.479 119.800 0.003 0.000 2.244 161 Q HA 0.188 4.527 4.340 -0.000 0.000 0.278 161 Q C 0.189 176.190 176.000 0.001 0.000 1.093 161 Q CA 0.844 56.650 55.803 0.005 0.000 0.916 161 Q CB -0.803 27.936 28.738 0.003 0.000 1.159 161 Q HN 0.622 nan 8.270 nan 0.000 0.384 162 N N 2.586 121.289 118.700 0.005 0.000 2.708 162 N HA -0.291 4.449 4.740 -0.000 0.000 0.251 162 N C -0.160 175.349 175.510 -0.001 0.000 1.123 162 N CA 0.627 53.678 53.050 0.002 0.000 0.739 162 N CB -0.447 38.040 38.487 -0.001 0.000 1.113 162 N HN 0.574 nan 8.380 nan 0.000 0.561 163 Q N 0.746 120.546 119.800 -0.000 0.000 2.247 163 Q HA 0.350 4.690 4.340 -0.000 0.000 0.211 163 Q C 0.216 176.219 176.000 0.005 0.000 0.861 163 Q CA -0.255 55.544 55.803 -0.007 0.000 0.949 163 Q CB 0.460 29.186 28.738 -0.020 0.000 1.115 163 Q HN 0.404 nan 8.270 nan 0.000 0.507 164 L N -0.151 121.082 121.223 0.016 0.000 3.717 164 L HA -0.193 4.147 4.340 -0.000 0.000 0.411 164 L C 0.531 177.435 176.870 0.056 0.000 1.233 164 L CA 1.231 56.089 54.840 0.031 0.000 0.917 164 L CB -1.541 40.532 42.059 0.024 0.000 1.902 164 L HN 0.451 nan 8.230 nan 0.000 0.894 165 G N -1.128 107.706 108.800 0.056 0.000 2.273 165 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.280 165 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.280 165 G C 0.086 175.049 174.900 0.105 0.000 1.047 165 G CA 0.287 45.441 45.100 0.089 0.000 0.869 165 G HN 1.193 nan 8.290 nan 0.000 0.502 166 V N 0.510 120.438 119.914 0.022 0.000 2.567 166 V HA 0.490 4.610 4.120 -0.000 0.000 0.298 166 V C 0.168 176.177 176.094 -0.142 0.000 1.047 166 V CA -0.698 61.557 62.300 -0.075 0.000 0.880 166 V CB 1.873 33.690 31.823 -0.010 0.000 1.009 166 V HN 0.293 nan 8.190 nan 0.000 0.429 167 L N 7.072 128.159 121.223 -0.227 0.000 2.335 167 L HA 0.443 4.783 4.340 -0.000 0.000 0.268 167 L C -2.525 174.186 176.870 -0.265 0.000 1.037 167 L CA -1.573 53.145 54.840 -0.203 0.000 0.895 167 L CB 1.795 43.749 42.059 -0.175 0.000 1.266 167 L HN 0.399 nan 8.230 nan 0.000 0.439 168 P HA 0.291 nan 4.420 nan 0.000 0.271 168 P C -0.665 176.442 177.300 -0.321 0.000 1.226 168 P CA 0.222 63.165 63.100 -0.261 0.000 0.765 168 P CB 0.899 32.495 31.700 -0.173 0.000 0.835 169 L N 1.788 122.702 121.223 -0.514 0.000 2.397 169 L HA 0.753 5.093 4.340 -0.000 0.000 0.251 169 L C -0.263 176.209 176.870 -0.663 0.000 1.064 169 L CA -0.720 53.730 54.840 -0.649 0.000 0.859 169 L CB 2.392 43.869 42.059 -0.970 0.000 1.468 169 L HN 0.379 nan 8.230 nan 0.000 0.411 170 S N -0.905 114.577 115.700 -0.363 0.000 2.543 170 S HA 0.650 5.119 4.470 -0.000 0.000 0.274 170 S C -2.136 172.593 174.600 0.216 0.000 1.149 170 S CA -0.752 57.412 58.200 -0.059 0.000 0.866 170 S CB 1.919 65.078 63.200 -0.069 0.000 1.111 170 S HN 0.654 nan 8.310 nan 0.000 0.457 171 W N 1.941 123.260 121.300 0.033 0.000 3.259 171 W HA 0.598 5.258 4.660 -0.000 0.000 0.331 171 W C -2.187 174.282 176.519 -0.084 0.000 1.144 171 W CA -0.425 56.919 57.345 -0.002 0.000 1.227 171 W CB 1.388 30.869 29.460 0.035 0.000 1.371 171 W HN 0.694 nan 8.180 nan 0.000 0.491 172 D N 5.392 125.342 120.400 -0.751 0.000 2.277 172 D HA 0.303 4.942 4.640 -0.000 0.000 0.249 172 D C 0.091 175.592 176.300 -1.331 0.000 1.134 172 D CA 0.188 53.724 54.000 -0.775 0.000 0.863 172 D CB 1.205 41.749 40.800 -0.427 0.000 1.143 172 D HN 0.264 nan 8.370 nan 0.000 0.458 173 I N 4.242 124.192 120.570 -1.034 0.000 2.379 173 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 173 I C -1.981 173.835 176.117 -0.501 0.000 1.063 173 I CA -1.843 58.876 61.300 -0.969 0.000 1.351 173 I CB 0.681 38.293 38.000 -0.647 0.000 1.410 173 I HN 0.039 nan 8.210 nan 0.000 0.505 174 P HA 0.026 nan 4.420 nan 0.000 0.269 174 P C 0.539 177.777 177.300 -0.104 0.000 1.209 174 P CA -0.181 62.821 63.100 -0.164 0.000 0.776 174 P CB 0.696 32.366 31.700 -0.050 0.000 0.876 175 E N 1.228 121.384 120.200 -0.074 0.000 2.077 175 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 175 E C 0.592 177.187 176.600 -0.008 0.000 0.989 175 E CA 1.160 57.532 56.400 -0.047 0.000 0.800 175 E CB -0.232 29.444 29.700 -0.041 0.000 0.746 175 E HN 0.465 nan 8.360 nan 0.000 0.452 176 L N 1.672 122.901 121.223 0.010 0.000 2.385 176 L HA 0.202 4.542 4.340 -0.000 0.000 0.285 176 L C -0.077 176.842 176.870 0.082 0.000 1.125 176 L CA -0.297 54.566 54.840 0.040 0.000 0.890 176 L CB 0.623 42.703 42.059 0.036 0.000 1.251 176 L HN -0.175 nan 8.230 nan 0.000 0.445 177 V N 2.659 122.638 119.914 0.108 0.000 3.167 177 V HA 0.331 4.450 4.120 -0.000 0.000 0.293 177 V C -1.039 175.184 176.094 0.216 0.000 1.379 177 V CA -0.894 61.527 62.300 0.201 0.000 1.019 177 V CB 2.795 34.784 31.823 0.276 0.000 1.115 177 V HN 0.640 nan 8.190 nan 0.000 0.442 178 N N 3.707 122.558 118.700 0.252 0.000 2.497 178 N HA 0.421 5.161 4.740 -0.000 0.000 0.268 178 N C -0.320 175.367 175.510 0.296 0.000 1.171 178 N CA -0.067 53.097 53.050 0.189 0.000 0.948 178 N CB 0.917 39.452 38.487 0.080 0.000 1.069 178 N HN 0.571 nan 8.380 nan 0.000 0.460 179 M N 0.997 120.719 119.600 0.204 0.000 2.247 179 M HA 0.500 4.980 4.480 -0.000 0.000 0.326 179 M C 1.257 177.662 176.300 0.174 0.000 1.134 179 M CA 0.283 55.719 55.300 0.228 0.000 1.136 179 M CB 1.020 33.708 32.600 0.146 0.000 1.454 179 M HN 0.781 nan 8.290 nan 0.000 0.467 180 G N -0.025 108.891 108.800 0.194 0.000 2.292 180 G HA2 0.046 4.006 3.960 -0.000 0.000 0.194 180 G HA3 0.046 4.006 3.960 -0.000 0.000 0.194 180 G C -1.672 173.300 174.900 0.119 0.000 1.329 180 G CA -0.876 44.283 45.100 0.098 0.000 1.100 180 G HN 0.484 nan 8.290 nan 0.000 0.470 181 Q N 0.157 119.958 119.800 0.002 0.000 2.340 181 Q HA 0.482 4.822 4.340 -0.000 0.000 0.259 181 Q C -1.208 174.704 176.000 -0.146 0.000 0.964 181 Q CA -0.169 55.619 55.803 -0.024 0.000 0.900 181 Q CB 1.536 30.250 28.738 -0.041 0.000 1.228 181 Q HN 0.443 nan 8.270 nan 0.000 0.449 182 W N 1.848 122.891 121.300 -0.428 0.000 2.436 182 W HA 0.478 5.138 4.660 -0.000 0.000 0.347 182 W C 0.448 176.684 176.519 -0.472 0.000 1.136 182 W CA -0.382 56.608 57.345 -0.593 0.000 1.286 182 W CB 1.153 29.904 29.460 -1.181 0.000 1.253 182 W HN 0.275 nan 8.180 nan 0.000 0.617 183 K N 2.184 122.560 120.400 -0.041 0.000 2.468 183 K HA 0.572 4.892 4.320 -0.000 0.000 0.252 183 K C -1.493 175.183 176.600 0.128 0.000 0.932 183 K CA -0.594 55.723 56.287 0.050 0.000 0.794 183 K CB 1.343 33.834 32.500 -0.015 0.000 1.241 183 K HN 0.495 nan 8.250 nan 0.000 0.428 184 I N 4.795 125.451 120.570 0.143 0.000 2.382 184 I HA 0.368 4.538 4.170 -0.000 0.000 0.285 184 I C -0.397 175.744 176.117 0.040 0.000 1.007 184 I CA -0.802 60.521 61.300 0.038 0.000 1.142 184 I CB 1.512 39.464 38.000 -0.080 0.000 1.289 184 I HN 0.403 nan 8.210 nan 0.000 0.453 185 R N 5.425 125.945 120.500 0.033 0.000 2.387 185 R HA 0.831 5.171 4.340 -0.000 0.000 0.314 185 R C -0.719 175.651 176.300 0.117 0.000 0.958 185 R CA -0.596 55.555 56.100 0.084 0.000 0.846 185 R CB 2.146 32.490 30.300 0.073 0.000 1.147 185 R HN 0.659 nan 8.270 nan 0.000 0.447 186 A N 2.886 125.800 122.820 0.157 0.000 2.413 186 A HA 0.803 5.123 4.320 -0.000 0.000 0.307 186 A C -1.502 176.232 177.584 0.251 0.000 1.087 186 A CA -0.813 51.285 52.037 0.102 0.000 0.750 186 A CB 1.272 20.266 19.000 -0.010 0.000 1.296 186 A HN 0.791 nan 8.150 nan 0.000 0.423 187 Y N -1.981 118.317 120.300 -0.003 0.000 2.565 187 Y HA 0.623 5.173 4.550 -0.000 0.000 0.330 187 Y C -1.419 174.457 175.900 -0.040 0.000 1.150 187 Y CA -1.518 56.605 58.100 0.040 0.000 1.055 187 Y CB 0.255 38.754 38.460 0.065 0.000 1.337 187 Y HN 0.617 nan 8.280 nan 0.000 0.457 188 Y N 2.137 122.540 120.300 0.171 0.000 2.597 188 Y HA 0.048 4.598 4.550 -0.000 0.000 0.336 188 Y C 1.787 177.746 175.900 0.099 0.000 1.216 188 Y CA 0.591 58.726 58.100 0.058 0.000 1.463 188 Y CB 0.968 39.469 38.460 0.069 0.000 1.303 188 Y HN 0.914 nan 8.280 nan 0.000 0.576 189 E N 1.439 121.737 120.200 0.164 0.000 2.265 189 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 189 E C 0.519 177.224 176.600 0.175 0.000 0.996 189 E CA 0.971 57.451 56.400 0.133 0.000 0.832 189 E CB 0.104 29.839 29.700 0.058 0.000 0.756 189 E HN 0.666 nan 8.360 nan 0.000 0.491 190 N N 0.224 119.029 118.700 0.174 0.000 2.314 190 N HA -0.007 4.732 4.740 -0.000 0.000 0.200 190 N C -0.705 174.875 175.510 0.116 0.000 1.135 190 N CA 0.537 53.654 53.050 0.111 0.000 0.835 190 N CB 1.206 39.725 38.487 0.054 0.000 0.989 190 N HN 0.016 nan 8.380 nan 0.000 0.478 191 S N -1.495 114.319 115.700 0.189 0.000 2.777 191 S HA 0.230 4.700 4.470 -0.000 0.000 0.140 191 S C -2.392 172.307 174.600 0.165 0.000 1.233 191 S CA -0.831 57.458 58.200 0.147 0.000 1.157 191 S CB 1.666 64.947 63.200 0.135 0.000 1.600 191 S HN -0.145 nan 8.310 nan 0.000 0.432 192 P HA -0.197 nan 4.420 nan 0.000 0.220 192 P C 1.554 178.685 177.300 -0.282 0.000 1.148 192 P CA 1.207 64.197 63.100 -0.183 0.000 0.803 192 P CB 0.092 31.718 31.700 -0.123 0.000 0.782 193 Q N 0.304 120.026 119.800 -0.131 0.000 2.167 193 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 193 Q C 1.215 177.128 176.000 -0.144 0.000 0.970 193 Q CA 0.956 56.680 55.803 -0.132 0.000 0.855 193 Q CB -0.889 27.800 28.738 -0.081 0.000 0.911 193 Q HN 0.374 nan 8.270 nan 0.000 0.438 194 Q N 1.315 121.053 119.800 -0.104 0.000 2.377 194 Q HA 0.421 4.761 4.340 -0.000 0.000 0.249 194 Q C -1.519 174.366 176.000 -0.191 0.000 1.005 194 Q CA -0.291 55.415 55.803 -0.162 0.000 0.912 194 Q CB 1.053 29.742 28.738 -0.082 0.000 1.223 194 Q HN 0.035 nan 8.270 nan 0.000 0.459 195 V N 5.208 124.934 119.914 -0.314 0.000 2.604 195 V HA 0.500 4.619 4.120 -0.000 0.000 0.305 195 V C -0.768 175.116 176.094 -0.350 0.000 1.043 195 V CA -0.677 61.511 62.300 -0.186 0.000 0.888 195 V CB 1.368 33.117 31.823 -0.124 0.000 0.995 195 V HN 0.604 nan 8.190 nan 0.000 0.429 196 F N 1.568 121.542 119.950 0.039 0.000 2.450 196 F HA 0.759 5.286 4.527 -0.000 0.000 0.332 196 F C 0.625 176.442 175.800 0.028 0.000 1.093 196 F CA -0.306 57.703 58.000 0.015 0.000 1.003 196 F CB 2.104 41.086 39.000 -0.030 0.000 1.151 196 F HN 0.390 nan 8.300 nan 0.000 0.474 197 S N 0.340 116.158 115.700 0.197 0.000 2.546 197 S HA 0.783 5.253 4.470 -0.000 0.000 0.274 197 S C -1.021 173.669 174.600 0.150 0.000 1.121 197 S CA -0.839 57.444 58.200 0.138 0.000 0.887 197 S CB 2.236 65.483 63.200 0.078 0.000 1.094 197 S HN 0.537 nan 8.310 nan 0.000 0.474 198 T N 2.167 116.811 114.554 0.149 0.000 2.971 198 T HA 0.392 4.742 4.350 -0.000 0.000 0.304 198 T C -1.115 173.712 174.700 0.212 0.000 1.038 198 T CA -0.717 61.489 62.100 0.177 0.000 1.007 198 T CB 1.483 70.467 68.868 0.193 0.000 1.055 198 T HN 0.546 nan 8.240 nan 0.000 0.451 199 E N 2.083 122.404 120.200 0.201 0.000 2.242 199 E HA 0.632 4.982 4.350 -0.000 0.000 0.275 199 E C -0.975 175.818 176.600 0.321 0.000 1.002 199 E CA -0.819 55.699 56.400 0.196 0.000 0.841 199 E CB 1.398 31.156 29.700 0.097 0.000 1.109 199 E HN 0.616 nan 8.360 nan 0.000 0.394 200 F N -0.764 119.304 119.950 0.195 0.000 2.557 200 F HA 0.421 4.947 4.527 -0.000 0.000 0.316 200 F C -0.467 175.502 175.800 0.282 0.000 1.141 200 F CA -1.157 56.991 58.000 0.246 0.000 0.922 200 F CB 1.074 40.253 39.000 0.299 0.000 1.194 200 F HN 0.276 nan 8.300 nan 0.000 0.443 201 E N 2.898 123.247 120.200 0.249 0.000 2.331 201 E HA 0.492 4.842 4.350 -0.000 0.000 0.272 201 E C -1.419 175.342 176.600 0.269 0.000 1.036 201 E CA -0.653 55.852 56.400 0.175 0.000 0.864 201 E CB 1.590 31.363 29.700 0.123 0.000 1.035 201 E HN 0.677 nan 8.360 nan 0.000 0.408 202 V N 5.551 125.608 119.914 0.238 0.000 2.357 202 V HA 0.419 4.539 4.120 -0.000 0.000 0.284 202 V C -0.222 176.007 176.094 0.226 0.000 1.018 202 V CA -0.433 62.005 62.300 0.230 0.000 0.841 202 V CB 1.331 33.199 31.823 0.074 0.000 0.991 202 V HN 0.644 nan 8.190 nan 0.000 0.437 203 K N 3.265 123.816 120.400 0.252 0.000 2.562 203 K HA 0.423 4.743 4.320 -0.000 0.000 0.267 203 K C -0.880 175.832 176.600 0.186 0.000 0.938 203 K CA -0.699 55.720 56.287 0.221 0.000 0.840 203 K CB 2.332 34.968 32.500 0.227 0.000 1.390 203 K HN 0.672 nan 8.250 nan 0.000 0.428 204 E N 3.737 123.986 120.200 0.083 0.000 1.944 204 E HA 0.093 4.443 4.350 -0.000 0.000 0.272 204 E C -0.955 175.657 176.600 0.020 0.000 1.195 204 E CA -0.111 56.273 56.400 -0.026 0.000 0.926 204 E CB -0.049 29.641 29.700 -0.017 0.000 1.051 204 E HN 0.334 nan 8.360 nan 0.000 0.404 205 Y N -0.230 120.066 120.300 -0.007 0.000 2.693 205 Y HA 0.719 5.269 4.550 -0.000 0.000 0.331 205 Y C -0.582 175.304 175.900 -0.023 0.000 1.092 205 Y CA -1.608 56.481 58.100 -0.018 0.000 1.131 205 Y CB 0.820 39.263 38.460 -0.028 0.000 1.318 205 Y HN -0.000 nan 8.280 nan 0.000 0.510 206 V N -0.223 119.852 119.914 0.269 0.000 2.655 206 V HA 0.430 4.550 4.120 -0.000 0.000 0.301 206 V C -1.089 175.111 176.094 0.176 0.000 1.082 206 V CA -1.117 61.280 62.300 0.160 0.000 0.899 206 V CB 0.959 32.819 31.823 0.061 0.000 1.014 206 V HN 0.773 nan 8.190 nan 0.000 0.429 207 L N 7.917 129.242 121.223 0.170 0.000 2.615 207 L HA 0.290 4.630 4.340 -0.000 0.000 0.271 207 L C -1.002 175.898 176.870 0.050 0.000 1.183 207 L CA 0.089 54.978 54.840 0.082 0.000 0.933 207 L CB -0.570 41.531 42.059 0.070 0.000 1.199 207 L HN 0.634 nan 8.230 nan 0.000 0.487 208 P HA 0.100 nan 4.420 nan 0.000 0.291 208 P C 0.135 177.473 177.300 0.064 0.000 1.287 208 P CA -0.200 62.885 63.100 -0.025 0.000 0.767 208 P CB 0.455 32.029 31.700 -0.210 0.000 1.290 209 S N -2.588 113.204 115.700 0.153 0.000 2.733 209 S HA 0.373 4.843 4.470 -0.000 0.000 0.247 209 S C 0.080 174.948 174.600 0.446 0.000 1.043 209 S CA -0.577 57.834 58.200 0.351 0.000 1.066 209 S CB -0.715 62.782 63.200 0.494 0.000 1.045 209 S HN 0.522 nan 8.310 nan 0.000 0.586 210 F N 0.336 120.294 119.950 0.013 0.000 2.678 210 F HA 0.765 5.292 4.527 -0.000 0.000 0.308 210 F C -1.143 174.593 175.800 -0.107 0.000 1.118 210 F CA -1.135 56.783 58.000 -0.136 0.000 0.959 210 F CB 0.713 39.453 39.000 -0.433 0.000 1.305 210 F HN 0.124 nan 8.300 nan 0.000 0.443 211 E N 1.424 121.587 120.200 -0.060 0.000 2.227 211 E HA 0.757 5.107 4.350 -0.000 0.000 0.268 211 E C -1.712 174.873 176.600 -0.025 0.000 0.990 211 E CA -1.188 55.147 56.400 -0.107 0.000 0.856 211 E CB 2.596 32.271 29.700 -0.041 0.000 1.159 211 E HN 0.534 nan 8.360 nan 0.000 0.401 212 V N 3.020 122.902 119.914 -0.054 0.000 2.483 212 V HA 0.372 4.492 4.120 -0.000 0.000 0.297 212 V C -0.366 175.719 176.094 -0.015 0.000 1.027 212 V CA -0.649 61.648 62.300 -0.005 0.000 0.855 212 V CB 1.173 32.996 31.823 -0.000 0.000 0.995 212 V HN 0.632 nan 8.190 nan 0.000 0.424 213 I N 5.185 125.750 120.570 -0.007 0.000 2.404 213 I HA 0.557 4.727 4.170 -0.000 0.000 0.293 213 I C -0.395 175.716 176.117 -0.010 0.000 0.992 213 I CA -1.059 60.236 61.300 -0.009 0.000 1.149 213 I CB 2.138 40.134 38.000 -0.007 0.000 1.315 213 I HN 0.474 nan 8.210 nan 0.000 0.446 214 V N 1.972 121.880 119.914 -0.010 0.000 2.304 214 V HA 0.509 4.629 4.120 -0.000 0.000 0.278 214 V C -0.465 175.628 176.094 -0.001 0.000 1.018 214 V CA -0.503 61.789 62.300 -0.013 0.000 0.814 214 V CB 0.719 32.526 31.823 -0.026 0.000 1.021 214 V HN 0.738 nan 8.190 nan 0.000 0.440 215 E N 5.996 126.197 120.200 0.001 0.000 2.141 215 E HA 0.448 4.798 4.350 -0.000 0.000 0.259 215 E C -2.796 173.807 176.600 0.006 0.000 0.883 215 E CA -1.934 54.469 56.400 0.005 0.000 0.744 215 E CB 2.448 32.148 29.700 0.001 0.000 1.150 215 E HN 0.531 nan 8.360 nan 0.000 0.420 216 P HA -0.042 nan 4.420 nan 0.000 0.271 216 P C 1.029 178.310 177.300 -0.032 0.000 1.216 216 P CA -0.112 62.990 63.100 0.003 0.000 0.776 216 P CB 0.808 32.514 31.700 0.011 0.000 0.881 217 T N -0.561 113.969 114.554 -0.040 0.000 2.665 217 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 217 T C 0.568 175.192 174.700 -0.126 0.000 1.035 217 T CA 1.319 63.380 62.100 -0.064 0.000 1.151 217 T CB -0.467 68.368 68.868 -0.056 0.000 0.862 217 T HN 0.337 nan 8.240 nan 0.000 0.438 218 E N 0.933 121.001 120.200 -0.220 0.000 2.191 218 E HA 0.362 4.712 4.350 -0.000 0.000 0.274 218 E C -0.171 176.214 176.600 -0.359 0.000 0.948 218 E CA -0.569 55.555 56.400 -0.459 0.000 0.802 218 E CB 1.711 30.854 29.700 -0.928 0.000 1.137 218 E HN 0.398 nan 8.360 nan 0.000 0.397 219 K N 2.042 122.296 120.400 -0.243 0.000 2.706 219 K HA 0.120 4.440 4.320 -0.000 0.000 0.217 219 K C -0.302 176.419 176.600 0.203 0.000 1.019 219 K CA 0.220 56.525 56.287 0.031 0.000 1.181 219 K CB -0.588 31.994 32.500 0.137 0.000 0.940 219 K HN 0.313 nan 8.250 nan 0.000 0.491 220 F N -3.521 116.463 119.950 0.057 0.000 3.485 220 F HA 0.373 4.900 4.527 -0.000 0.000 0.328 220 F C -1.850 174.054 175.800 0.173 0.000 1.111 220 F CA -1.818 56.235 58.000 0.089 0.000 0.847 220 F CB 0.764 39.787 39.000 0.039 0.000 1.558 220 F HN -0.178 nan 8.300 nan 0.000 0.491 221 Y N 1.025 121.524 120.300 0.332 0.000 2.396 221 Y HA 0.538 5.088 4.550 -0.000 0.000 0.332 221 Y C -1.965 174.130 175.900 0.324 0.000 1.034 221 Y CA -1.603 56.612 58.100 0.192 0.000 1.057 221 Y CB 1.348 39.847 38.460 0.064 0.000 1.220 221 Y HN 0.742 nan 8.280 nan 0.000 0.440 222 Y N 7.353 127.368 120.300 -0.475 0.000 2.365 222 Y HA 0.291 4.840 4.550 -0.000 0.000 0.340 222 Y C 0.624 176.073 175.900 -0.751 0.000 1.016 222 Y CA -0.731 57.148 58.100 -0.370 0.000 1.196 222 Y CB 0.702 39.083 38.460 -0.132 0.000 1.167 222 Y HN 0.723 nan 8.280 nan 0.000 0.509 223 I N 4.738 124.812 120.570 -0.827 0.000 2.335 223 I HA -0.318 3.852 4.170 -0.000 0.000 0.251 223 I C 0.824 176.451 176.117 -0.817 0.000 1.129 223 I CA 1.534 62.386 61.300 -0.747 0.000 1.402 223 I CB -0.752 36.781 38.000 -0.778 0.000 1.069 223 I HN 0.596 nan 8.210 nan 0.000 0.424 224 Y N -0.061 119.749 120.300 -0.817 0.000 2.583 224 Y HA 0.254 4.804 4.550 -0.000 0.000 0.294 224 Y C 0.778 176.631 175.900 -0.079 0.000 1.170 224 Y CA -0.659 57.200 58.100 -0.401 0.000 1.265 224 Y CB -0.734 37.514 38.460 -0.353 0.000 1.119 224 Y HN 0.040 nan 8.280 nan 0.000 0.522 225 N N 1.721 120.407 118.700 -0.024 0.000 2.437 225 N HA 0.035 4.775 4.740 -0.000 0.000 0.243 225 N C 0.641 176.189 175.510 0.062 0.000 1.041 225 N CA 0.156 53.254 53.050 0.080 0.000 0.940 225 N CB 0.655 39.122 38.487 -0.034 0.000 1.133 225 N HN 0.396 nan 8.380 nan 0.000 0.506 226 E N 2.837 123.086 120.200 0.082 0.000 2.077 226 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 226 E C 1.040 177.677 176.600 0.063 0.000 0.989 226 E CA 1.317 57.756 56.400 0.065 0.000 0.800 226 E CB 0.170 29.903 29.700 0.055 0.000 0.746 226 E HN 0.622 nan 8.360 nan 0.000 0.452 227 K N 0.351 120.788 120.400 0.061 0.000 2.074 227 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 227 K C 1.161 177.800 176.600 0.066 0.000 1.048 227 K CA 0.922 57.239 56.287 0.051 0.000 0.926 227 K CB -0.315 32.210 32.500 0.042 0.000 0.713 227 K HN 0.244 nan 8.250 nan 0.000 0.444 228 G N 0.645 109.532 108.800 0.145 0.000 2.566 228 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.599 228 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.599 228 G C -1.520 173.511 174.900 0.219 0.000 1.292 228 G CA -0.623 44.602 45.100 0.208 0.000 0.922 228 G HN 0.143 nan 8.290 nan 0.000 0.514 229 L N 1.387 122.602 121.223 -0.012 0.000 2.342 229 L HA 0.526 4.866 4.340 -0.000 0.000 0.285 229 L C 0.669 177.512 176.870 -0.045 0.000 1.095 229 L CA -0.107 54.697 54.840 -0.059 0.000 0.843 229 L CB -0.199 41.657 42.059 -0.339 0.000 1.201 229 L HN 0.503 nan 8.230 nan 0.000 0.445 230 E N 4.178 124.388 120.200 0.017 0.000 2.229 230 E HA 0.439 4.789 4.350 -0.000 0.000 0.283 230 E C -0.991 175.636 176.600 0.045 0.000 1.030 230 E CA -0.534 55.880 56.400 0.023 0.000 0.836 230 E CB 1.756 31.463 29.700 0.012 0.000 1.068 230 E HN 0.398 nan 8.360 nan 0.000 0.401 231 V N 2.883 122.845 119.914 0.080 0.000 2.656 231 V HA 0.302 4.422 4.120 -0.000 0.000 0.307 231 V C -0.166 175.953 176.094 0.041 0.000 1.051 231 V CA -0.792 61.555 62.300 0.077 0.000 0.893 231 V CB 2.280 34.185 31.823 0.137 0.000 0.999 231 V HN 0.673 nan 8.190 nan 0.000 0.426 232 T N 5.723 120.288 114.554 0.018 0.000 2.771 232 T HA 0.560 4.910 4.350 -0.000 0.000 0.281 232 T C -0.349 174.348 174.700 -0.006 0.000 0.982 232 T CA -0.291 61.811 62.100 0.004 0.000 0.978 232 T CB 0.876 69.744 68.868 0.000 0.000 0.930 232 T HN 0.332 nan 8.240 nan 0.000 0.447 233 I N 4.017 124.579 120.570 -0.013 0.000 2.307 233 I HA 0.252 4.422 4.170 -0.000 0.000 0.287 233 I C 0.468 176.573 176.117 -0.020 0.000 1.054 233 I CA -0.463 60.825 61.300 -0.021 0.000 1.218 233 I CB 0.185 38.166 38.000 -0.032 0.000 1.398 233 I HN 0.530 nan 8.210 nan 0.000 0.475 234 T N 5.824 120.369 114.554 -0.014 0.000 2.749 234 T HA 0.690 5.040 4.350 -0.000 0.000 0.287 234 T C 0.172 174.865 174.700 -0.011 0.000 0.970 234 T CA -0.485 61.606 62.100 -0.015 0.000 0.980 234 T CB 1.517 70.378 68.868 -0.011 0.000 0.924 234 T HN 0.692 nan 8.240 nan 0.000 0.456 235 A N 4.518 127.323 122.820 -0.026 0.000 2.335 235 A HA 0.813 5.133 4.320 -0.000 0.000 0.304 235 A C -0.194 177.336 177.584 -0.090 0.000 1.118 235 A CA -1.113 50.914 52.037 -0.017 0.000 0.757 235 A CB 1.016 20.007 19.000 -0.014 0.000 1.188 235 A HN 0.917 nan 8.150 nan 0.000 0.460 236 R N 1.345 121.804 120.500 -0.068 0.000 2.698 236 R HA 0.745 5.085 4.340 -0.000 0.000 0.275 236 R C -1.451 174.767 176.300 -0.137 0.000 1.001 236 R CA -0.719 55.306 56.100 -0.124 0.000 0.896 236 R CB 0.827 31.105 30.300 -0.036 0.000 1.218 236 R HN 0.315 nan 8.270 nan 0.000 0.462 237 F N 1.482 121.339 119.950 -0.156 0.000 2.535 237 F HA 0.068 4.595 4.527 -0.000 0.000 0.332 237 F C 1.886 177.461 175.800 -0.374 0.000 1.208 237 F CA -0.132 57.653 58.000 -0.359 0.000 1.330 237 F CB 0.370 38.769 39.000 -1.002 0.000 1.167 237 F HN 0.441 nan 8.300 nan 0.000 0.597 238 L N 0.728 121.887 121.223 -0.107 0.000 2.191 238 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 238 L C 1.650 178.537 176.870 0.029 0.000 1.103 238 L CA 1.206 56.047 54.840 0.001 0.000 0.769 238 L CB -0.661 41.463 42.059 0.108 0.000 0.908 238 L HN 0.717 nan 8.230 nan 0.000 0.438 239 Y N -1.819 118.584 120.300 0.171 0.000 2.471 239 Y HA 0.456 5.006 4.550 -0.000 0.000 0.286 239 Y C 1.631 177.596 175.900 0.108 0.000 1.188 239 Y CA 0.125 58.289 58.100 0.108 0.000 1.286 239 Y CB -0.484 38.014 38.460 0.062 0.000 1.072 239 Y HN 0.108 nan 8.280 nan 0.000 0.517 240 G N -0.397 108.431 108.800 0.046 0.000 2.308 240 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.221 240 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.221 240 G C 0.357 175.314 174.900 0.094 0.000 1.032 240 G CA -0.336 44.811 45.100 0.078 0.000 0.623 240 G HN 0.142 nan 8.290 nan 0.000 0.506 241 K N 1.982 122.483 120.400 0.167 0.000 2.469 241 K HA 0.227 4.546 4.320 -0.000 0.000 0.274 241 K C 0.919 177.663 176.600 0.240 0.000 0.983 241 K CA 0.295 56.724 56.287 0.237 0.000 0.974 241 K CB 0.433 33.155 32.500 0.371 0.000 0.913 241 K HN 0.566 nan 8.250 nan 0.000 0.493 242 K N 0.594 121.101 120.400 0.179 0.000 2.276 242 K HA 0.185 4.504 4.320 -0.000 0.000 0.259 242 K C -0.034 176.612 176.600 0.076 0.000 1.001 242 K CA -0.475 55.863 56.287 0.085 0.000 0.927 242 K CB 0.569 33.102 32.500 0.056 0.000 0.969 242 K HN 0.141 nan 8.250 nan 0.000 0.490 243 V N 2.237 122.059 119.914 -0.154 0.000 2.513 243 V HA 0.157 4.277 4.120 -0.000 0.000 0.299 243 V C -0.405 175.577 176.094 -0.187 0.000 1.035 243 V CA -0.709 61.360 62.300 -0.384 0.000 0.889 243 V CB 1.686 33.021 31.823 -0.814 0.000 0.988 243 V HN 0.641 nan 8.190 nan 0.000 0.440 244 E N 3.026 123.171 120.200 -0.092 0.000 2.145 244 E HA 0.733 5.083 4.350 -0.000 0.000 0.270 244 E C 0.168 176.770 176.600 0.003 0.000 0.906 244 E CA -0.029 56.397 56.400 0.042 0.000 0.761 244 E CB 2.102 31.896 29.700 0.158 0.000 1.116 244 E HN 0.940 nan 8.360 nan 0.000 0.408 245 G N 1.363 110.060 108.800 -0.173 0.000 2.428 245 G HA2 0.352 4.312 3.960 -0.000 0.000 0.305 245 G HA3 0.352 4.312 3.960 -0.000 0.000 0.305 245 G C -1.156 173.434 174.900 -0.517 0.000 1.260 245 G CA -0.452 44.259 45.100 -0.649 0.000 0.853 245 G HN 0.284 nan 8.290 nan 0.000 0.480 246 T N 0.262 114.559 114.554 -0.428 0.000 2.861 246 T HA 0.750 5.099 4.350 -0.000 0.000 0.287 246 T C -0.176 174.355 174.700 -0.282 0.000 1.003 246 T CA 0.299 62.205 62.100 -0.323 0.000 0.977 246 T CB 1.554 70.226 68.868 -0.327 0.000 0.996 246 T HN 1.302 nan 8.240 nan 0.000 0.448 247 A N 2.348 124.975 122.820 -0.322 0.000 2.340 247 A HA 0.883 5.203 4.320 -0.000 0.000 0.331 247 A C -1.227 176.109 177.584 -0.413 0.000 1.140 247 A CA -0.698 51.211 52.037 -0.214 0.000 0.801 247 A CB 0.648 19.586 19.000 -0.104 0.000 1.234 247 A HN 0.767 nan 8.150 nan 0.000 0.469 248 F N 1.699 121.625 119.950 -0.040 0.000 2.366 248 F HA 0.476 5.003 4.527 -0.000 0.000 0.366 248 F C 0.149 175.908 175.800 -0.069 0.000 1.096 248 F CA -0.601 57.374 58.000 -0.042 0.000 1.060 248 F CB 1.945 40.927 39.000 -0.030 0.000 1.282 248 F HN 0.381 nan 8.300 nan 0.000 0.450 249 V N 6.168 126.093 119.914 0.018 0.000 2.483 249 V HA 0.671 4.791 4.120 -0.000 0.000 0.295 249 V C -0.921 175.077 176.094 -0.160 0.000 1.035 249 V CA -0.554 61.677 62.300 -0.115 0.000 0.896 249 V CB 1.633 33.346 31.823 -0.185 0.000 0.986 249 V HN 0.757 nan 8.190 nan 0.000 0.447 250 I N 4.983 125.377 120.570 -0.293 0.000 3.145 250 I HA 0.653 4.823 4.170 -0.000 0.000 0.313 250 I C -1.307 174.472 176.117 -0.564 0.000 1.122 250 I CA -0.783 60.370 61.300 -0.245 0.000 0.987 250 I CB 2.440 40.397 38.000 -0.073 0.000 1.236 250 I HN 0.697 nan 8.210 nan 0.000 0.453 251 F N 1.508 121.348 119.950 -0.184 0.000 2.782 251 F HA 0.924 5.451 4.527 0.000 0.000 0.366 251 F C 0.521 175.991 175.800 -0.549 0.000 1.171 251 F CA -0.367 57.425 58.000 -0.348 0.000 1.064 251 F CB 1.755 40.596 39.000 -0.265 0.000 1.449 251 F HN 0.477 nan 8.300 nan 0.000 0.520 252 G N -0.029 108.473 108.800 -0.496 0.000 2.340 252 G HA2 0.462 4.422 3.960 -0.000 0.000 0.298 252 G HA3 0.462 4.422 3.960 -0.000 0.000 0.298 252 G C -2.215 172.489 174.900 -0.327 0.000 1.498 252 G CA -0.926 43.847 45.100 -0.545 0.000 0.847 252 G HN 0.530 nan 8.290 nan 0.000 0.594 253 I N 0.389 120.981 120.570 0.037 0.000 2.493 253 I HA 0.510 4.680 4.170 -0.000 0.000 0.298 253 I C 0.108 176.383 176.117 0.263 0.000 0.998 253 I CA -0.750 60.629 61.300 0.133 0.000 1.137 253 I CB 2.182 40.214 38.000 0.054 0.000 1.310 253 I HN 0.550 nan 8.210 nan 0.000 0.445 254 Q N 3.834 123.770 119.800 0.226 0.000 2.306 254 Q HA 0.330 4.670 4.340 -0.000 0.000 0.265 254 Q C -1.567 174.484 176.000 0.085 0.000 1.022 254 Q CA -0.589 55.302 55.803 0.147 0.000 0.853 254 Q CB 2.112 30.919 28.738 0.115 0.000 1.327 254 Q HN 0.539 nan 8.270 nan 0.000 0.449 255 D N 2.137 122.570 120.400 0.054 0.000 2.364 255 D HA 0.327 4.967 4.640 -0.000 0.000 0.251 255 D C 0.509 176.825 176.300 0.027 0.000 1.282 255 D CA 0.763 54.787 54.000 0.041 0.000 0.927 255 D CB 0.393 41.215 40.800 0.037 0.000 1.267 255 D HN 0.804 nan 8.370 nan 0.000 0.531 256 G N 4.105 112.921 108.800 0.026 0.000 5.229 256 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.250 256 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.250 256 G C 0.820 175.724 174.900 0.007 0.000 1.380 256 G CA 0.924 46.034 45.100 0.018 0.000 0.933 256 G HN 0.497 nan 8.290 nan 0.000 0.731 257 E N -0.080 120.120 120.200 0.000 0.000 2.603 257 E HA 0.267 4.617 4.350 -0.000 0.000 0.218 257 E C 0.755 177.342 176.600 -0.022 0.000 0.878 257 E CA 0.395 56.786 56.400 -0.014 0.000 1.348 257 E CB 0.538 30.231 29.700 -0.012 0.000 1.318 257 E HN 0.610 nan 8.360 nan 0.000 0.673 258 Q N 1.536 121.333 119.800 -0.006 0.000 2.261 258 Q HA 0.376 4.716 4.340 -0.000 0.000 0.252 258 Q C -0.621 175.385 176.000 0.011 0.000 0.915 258 Q CA -0.354 55.449 55.803 -0.000 0.000 0.915 258 Q CB 0.816 29.561 28.738 0.012 0.000 1.204 258 Q HN -0.046 nan 8.270 nan 0.000 0.421 259 R N 3.346 123.851 120.500 0.010 0.000 2.562 259 R HA 0.513 4.853 4.340 -0.000 0.000 0.298 259 R C -0.831 175.542 176.300 0.122 0.000 0.961 259 R CA -0.840 55.299 56.100 0.065 0.000 0.881 259 R CB 1.389 31.646 30.300 -0.071 0.000 1.159 259 R HN 0.584 nan 8.270 nan 0.000 0.450 260 I N 2.068 122.749 120.570 0.184 0.000 2.405 260 I HA 0.131 4.301 4.170 -0.000 0.000 0.280 260 I C 0.486 176.686 176.117 0.137 0.000 1.027 260 I CA -0.311 61.065 61.300 0.126 0.000 1.161 260 I CB 1.083 39.130 38.000 0.077 0.000 1.300 260 I HN 0.539 nan 8.210 nan 0.000 0.463 261 S N 6.715 122.496 115.700 0.135 0.000 2.573 261 S HA 0.414 4.884 4.470 -0.000 0.000 0.277 261 S C -0.023 174.598 174.600 0.035 0.000 1.346 261 S CA -0.153 58.104 58.200 0.096 0.000 1.034 261 S CB 0.422 63.682 63.200 0.100 0.000 0.879 261 S HN 0.461 nan 8.310 nan 0.000 0.528 262 L N 6.523 127.750 121.223 0.007 0.000 2.387 262 L HA 0.338 4.678 4.340 -0.000 0.000 0.259 262 L C -1.446 175.439 176.870 0.025 0.000 1.050 262 L CA -1.714 53.130 54.840 0.007 0.000 0.922 262 L CB 1.385 43.437 42.059 -0.012 0.000 1.280 262 L HN 0.573 nan 8.230 nan 0.000 0.449 263 P HA -0.220 nan 4.420 nan 0.000 0.219 263 P C 0.933 178.251 177.300 0.030 0.000 1.146 263 P CA 1.223 64.339 63.100 0.028 0.000 0.808 263 P CB 0.450 32.162 31.700 0.021 0.000 0.779 264 E N 0.289 120.501 120.200 0.020 0.000 2.494 264 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 264 E C 1.127 177.739 176.600 0.020 0.000 1.074 264 E CA 0.193 56.602 56.400 0.015 0.000 0.867 264 E CB 0.018 29.718 29.700 -0.001 0.000 0.924 264 E HN 0.239 nan 8.360 nan 0.000 0.502 265 S N -0.441 115.289 115.700 0.050 0.000 2.559 265 S HA 0.093 4.563 4.470 -0.000 0.000 0.226 265 S C 0.433 175.137 174.600 0.173 0.000 1.000 265 S CA -0.611 57.650 58.200 0.102 0.000 0.948 265 S CB 0.096 63.384 63.200 0.147 0.000 0.870 265 S HN 0.155 nan 8.310 nan 0.000 0.497 266 L N 3.556 124.844 121.223 0.108 0.000 2.534 266 L HA 0.376 4.716 4.340 -0.000 0.000 0.271 266 L C -0.381 176.545 176.870 0.092 0.000 1.178 266 L CA 0.706 55.604 54.840 0.096 0.000 0.907 266 L CB 0.007 42.114 42.059 0.080 0.000 1.164 266 L HN 0.082 nan 8.230 nan 0.000 0.482 267 K N 5.357 125.808 120.400 0.085 0.000 2.340 267 K HA 0.467 4.787 4.320 -0.000 0.000 0.244 267 K C -0.839 175.754 176.600 -0.012 0.000 0.973 267 K CA -0.767 55.548 56.287 0.047 0.000 0.828 267 K CB 2.261 34.796 32.500 0.059 0.000 1.226 267 K HN 0.550 nan 8.250 nan 0.000 0.437 268 R N 2.903 123.356 120.500 -0.078 0.000 2.513 268 R HA 0.301 4.641 4.340 -0.000 0.000 0.283 268 R C -0.370 175.796 176.300 -0.223 0.000 1.535 268 R CA -0.282 55.662 56.100 -0.260 0.000 1.315 268 R CB -0.008 30.136 30.300 -0.259 0.000 1.163 268 R HN 0.687 nan 8.270 nan 0.000 0.573 269 I N 0.324 120.771 120.570 -0.205 0.000 2.428 269 I HA 0.649 4.819 4.170 -0.000 0.000 0.296 269 I C -2.479 173.543 176.117 -0.158 0.000 0.985 269 I CA -2.961 58.257 61.300 -0.136 0.000 1.260 269 I CB 1.500 39.452 38.000 -0.081 0.000 1.389 269 I HN 0.228 nan 8.210 nan 0.000 0.484 270 P HA 0.229 nan 4.420 nan 0.000 0.272 270 P C -0.747 176.514 177.300 -0.064 0.000 1.230 270 P CA -0.163 62.892 63.100 -0.075 0.000 0.788 270 P CB 0.562 32.250 31.700 -0.019 0.000 0.949 271 I N 1.773 122.310 120.570 -0.055 0.000 2.502 271 I HA 0.280 4.450 4.170 -0.000 0.000 0.276 271 I C 0.382 176.494 176.117 -0.008 0.000 1.057 271 I CA -0.279 60.990 61.300 -0.052 0.000 1.163 271 I CB 0.023 37.963 38.000 -0.100 0.000 1.288 271 I HN 0.300 nan 8.210 nan 0.000 0.479 272 E N 3.420 123.620 120.200 -0.001 0.000 2.204 272 E HA 0.199 4.549 4.350 -0.000 0.000 0.276 272 E C -0.027 176.573 176.600 -0.000 0.000 0.974 272 E CA -0.455 55.952 56.400 0.010 0.000 0.815 272 E CB 1.325 31.030 29.700 0.009 0.000 1.119 272 E HN 0.409 nan 8.360 nan 0.000 0.393 273 D N 1.516 121.920 120.400 0.006 0.000 2.983 273 D HA -0.194 4.446 4.640 -0.000 0.000 0.225 273 D C 0.603 176.901 176.300 -0.003 0.000 1.174 273 D CA 1.643 55.647 54.000 0.007 0.000 0.831 273 D CB -1.147 39.657 40.800 0.006 0.000 1.104 273 D HN 0.896 nan 8.370 nan 0.000 0.421 274 G N -1.467 107.320 108.800 -0.021 0.000 2.160 274 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.251 274 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.251 274 G C 0.128 175.005 174.900 -0.039 0.000 1.008 274 G CA 1.071 46.143 45.100 -0.048 0.000 0.724 274 G HN 1.188 nan 8.290 nan 0.000 0.514 275 S N -1.367 114.315 115.700 -0.030 0.000 2.564 275 S HA 0.888 5.357 4.470 -0.000 0.000 0.274 275 S C 0.009 174.593 174.600 -0.027 0.000 1.124 275 S CA 0.634 58.819 58.200 -0.024 0.000 0.869 275 S CB 1.898 65.090 63.200 -0.014 0.000 1.105 275 S HN 1.748 nan 8.310 nan 0.000 0.472 276 G N 1.214 109.999 108.800 -0.026 0.000 2.660 276 G HA2 0.607 4.567 3.960 -0.000 0.000 0.294 276 G HA3 0.607 4.567 3.960 -0.000 0.000 0.294 276 G C -2.003 172.886 174.900 -0.018 0.000 1.369 276 G CA -0.501 44.582 45.100 -0.029 0.000 0.912 276 G HN 0.571 nan 8.290 nan 0.000 0.479 277 E N -0.180 120.012 120.200 -0.014 0.000 2.241 277 E HA 0.566 4.916 4.350 -0.000 0.000 0.263 277 E C -1.339 175.266 176.600 0.009 0.000 0.882 277 E CA -0.601 55.799 56.400 -0.001 0.000 0.769 277 E CB 2.044 31.743 29.700 -0.001 0.000 1.185 277 E HN 0.568 nan 8.360 nan 0.000 0.415 278 V N 4.882 124.816 119.914 0.034 0.000 2.789 278 V HA 0.758 4.877 4.120 -0.000 0.000 0.311 278 V C -1.457 174.698 176.094 0.102 0.000 1.073 278 V CA -0.585 61.758 62.300 0.071 0.000 0.921 278 V CB 2.027 33.907 31.823 0.096 0.000 1.009 278 V HN 0.519 nan 8.190 nan 0.000 0.426 279 V N 6.649 126.608 119.914 0.075 0.000 2.709 279 V HA 0.500 4.620 4.120 -0.000 0.000 0.308 279 V C -0.717 175.312 176.094 -0.108 0.000 1.062 279 V CA -0.664 61.639 62.300 0.004 0.000 0.901 279 V CB 1.721 33.536 31.823 -0.014 0.000 1.003 279 V HN 0.791 nan 8.190 nan 0.000 0.425 280 L N 5.422 126.449 121.223 -0.326 0.000 2.287 280 L HA 0.525 4.865 4.340 -0.000 0.000 0.280 280 L C 0.691 177.346 176.870 -0.357 0.000 1.055 280 L CA 0.053 54.531 54.840 -0.604 0.000 0.863 280 L CB 0.964 42.198 42.059 -1.375 0.000 1.245 280 L HN 0.817 nan 8.230 nan 0.000 0.432 281 S N 3.235 118.806 115.700 -0.215 0.000 2.558 281 S HA 0.063 4.533 4.470 -0.000 0.000 0.288 281 S C 1.286 175.807 174.600 -0.131 0.000 1.318 281 S CA -0.071 58.055 58.200 -0.123 0.000 1.056 281 S CB 0.556 63.710 63.200 -0.077 0.000 0.853 281 S HN 0.819 nan 8.310 nan 0.000 0.505 282 R N 1.389 121.858 120.500 -0.051 0.000 2.159 282 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 282 R C 2.008 178.280 176.300 -0.047 0.000 1.131 282 R CA 1.588 57.676 56.100 -0.020 0.000 0.982 282 R CB -0.266 30.076 30.300 0.071 0.000 0.868 282 R HN 0.731 nan 8.270 nan 0.000 0.453 283 K N 0.182 120.556 120.400 -0.044 0.000 2.009 283 K HA -0.099 4.221 4.320 -0.000 0.000 0.210 283 K C 1.739 178.306 176.600 -0.055 0.000 1.049 283 K CA 1.953 58.216 56.287 -0.040 0.000 0.929 283 K CB -0.415 32.067 32.500 -0.030 0.000 0.714 283 K HN 0.070 nan 8.250 nan 0.000 0.440 284 V N 1.111 120.979 119.914 -0.078 0.000 2.427 284 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 284 V C 2.275 178.308 176.094 -0.102 0.000 1.051 284 V CA 1.546 63.796 62.300 -0.084 0.000 1.048 284 V CB -0.574 31.189 31.823 -0.100 0.000 0.666 284 V HN 0.340 nan 8.190 nan 0.000 0.456 285 L N 0.029 121.167 121.223 -0.141 0.000 1.989 285 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 285 L C 2.218 179.032 176.870 -0.094 0.000 1.071 285 L CA 2.003 56.751 54.840 -0.154 0.000 0.749 285 L CB -0.611 41.319 42.059 -0.216 0.000 0.890 285 L HN 0.206 nan 8.230 nan 0.000 0.431 286 L N -0.312 120.869 121.223 -0.071 0.000 2.131 286 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 286 L C 2.602 179.448 176.870 -0.039 0.000 1.092 286 L CA 1.464 56.275 54.840 -0.049 0.000 0.759 286 L CB -1.618 40.417 42.059 -0.039 0.000 0.903 286 L HN 0.516 nan 8.230 nan 0.000 0.435 287 D N -0.104 120.272 120.400 -0.040 0.000 2.312 287 D HA 0.014 4.654 4.640 -0.000 0.000 0.211 287 D C 2.182 178.465 176.300 -0.028 0.000 0.964 287 D CA 0.905 54.887 54.000 -0.030 0.000 0.877 287 D CB -0.628 40.156 40.800 -0.028 0.000 0.924 287 D HN 0.453 nan 8.370 nan 0.000 0.515 288 G N -0.203 108.575 108.800 -0.037 0.000 2.443 288 G HA2 0.234 4.194 3.960 -0.000 0.000 0.219 288 G HA3 0.234 4.194 3.960 -0.000 0.000 0.219 288 G C 1.147 176.036 174.900 -0.018 0.000 1.131 288 G CA 1.569 46.651 45.100 -0.030 0.000 0.775 288 G HN 0.788 nan 8.290 nan 0.000 0.547 289 V N -3.552 116.350 119.914 -0.020 0.000 3.352 289 V HA 0.687 4.807 4.120 -0.000 0.000 0.299 289 V C -0.420 175.667 176.094 -0.011 0.000 1.228 289 V CA -1.190 61.103 62.300 -0.012 0.000 1.017 289 V CB 1.307 33.123 31.823 -0.013 0.000 1.237 289 V HN 0.044 nan 8.190 nan 0.000 0.472 294 A N 0.788 123.571 122.820 -0.062 0.000 1.971 294 A HA -0.253 4.067 4.320 -0.000 0.000 0.222 294 A C 1.613 179.124 177.584 -0.122 0.000 1.182 294 A CA 1.939 53.907 52.037 -0.114 0.000 0.649 294 A CB -0.067 18.814 19.000 -0.199 0.000 0.818 294 A HN 0.377 nan 8.150 nan 0.000 0.458 295 E N 0.195 120.342 120.200 -0.087 0.000 2.401 295 E HA -0.120 4.230 4.350 -0.000 0.000 0.199 295 E C 1.221 177.804 176.600 -0.030 0.000 1.023 295 E CA 1.131 57.499 56.400 -0.053 0.000 0.859 295 E CB -0.209 29.492 29.700 0.002 0.000 0.780 295 E HN 0.638 nan 8.360 nan 0.000 0.523 296 D N -0.173 120.211 120.400 -0.027 0.000 2.137 296 D HA -0.041 4.598 4.640 -0.000 0.000 0.202 296 D C 1.687 177.981 176.300 -0.009 0.000 0.970 296 D CA 0.600 54.594 54.000 -0.011 0.000 0.837 296 D CB -0.129 40.666 40.800 -0.008 0.000 0.981 296 D HN 0.176 nan 8.370 nan 0.000 0.475 297 L N 0.710 121.921 121.223 -0.020 0.000 2.349 297 L HA -0.059 4.281 4.340 -0.000 0.000 0.220 297 L C 0.438 177.311 176.870 0.005 0.000 1.130 297 L CA 0.101 54.937 54.840 -0.007 0.000 0.791 297 L CB -0.321 41.729 42.059 -0.015 0.000 0.918 297 L HN -0.134 nan 8.230 nan 0.000 0.444 298 V N 1.082 120.990 119.914 -0.010 0.000 2.509 298 V HA 0.158 4.278 4.120 -0.000 0.000 0.297 298 V C 1.292 177.400 176.094 0.023 0.000 1.014 298 V CA 1.287 63.588 62.300 0.003 0.000 1.127 298 V CB 0.191 32.008 31.823 -0.009 0.000 0.925 298 V HN 0.643 nan 8.190 nan 0.000 0.480 299 G N 4.317 113.140 108.800 0.038 0.000 2.339 299 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.209 299 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.209 299 G C 0.412 175.344 174.900 0.053 0.000 1.015 299 G CA 0.006 45.133 45.100 0.044 0.000 0.635 299 G HN 0.584 nan 8.290 nan 0.000 0.499 300 K N 1.023 121.454 120.400 0.052 0.000 2.136 300 K HA 0.563 4.883 4.320 -0.000 0.000 0.237 300 K C 0.605 177.253 176.600 0.080 0.000 1.048 300 K CA 0.560 56.883 56.287 0.061 0.000 0.880 300 K CB 0.610 33.141 32.500 0.051 0.000 1.105 300 K HN 0.617 nan 8.250 nan 0.000 0.507 301 S N -0.348 115.407 115.700 0.092 0.000 2.599 301 S HA 0.590 5.060 4.470 -0.000 0.000 0.287 301 S C -0.822 173.856 174.600 0.129 0.000 1.105 301 S CA -1.096 57.172 58.200 0.113 0.000 0.899 301 S CB 0.929 64.199 63.200 0.117 0.000 1.100 301 S HN 0.379 nan 8.310 nan 0.000 0.482 302 L N 2.011 123.307 121.223 0.122 0.000 2.334 302 L HA 0.663 5.003 4.340 -0.000 0.000 0.273 302 L C -1.212 175.763 176.870 0.175 0.000 1.013 302 L CA -1.102 53.794 54.840 0.094 0.000 0.816 302 L CB 1.580 43.637 42.059 -0.003 0.000 1.278 302 L HN 0.929 nan 8.230 nan 0.000 0.431 303 Y N 0.456 120.800 120.300 0.074 0.000 2.442 303 Y HA 0.774 5.324 4.550 0.000 0.000 0.344 303 Y C -1.085 174.820 175.900 0.009 0.000 0.976 303 Y CA -1.294 56.830 58.100 0.041 0.000 1.040 303 Y CB 1.235 39.706 38.460 0.019 0.000 1.228 303 Y HN 0.149 nan 8.280 nan 0.000 0.451 304 V N 3.138 123.055 119.914 0.006 0.000 2.427 304 V HA 0.520 4.640 4.120 -0.000 0.000 0.286 304 V C -0.335 175.689 176.094 -0.117 0.000 1.034 304 V CA -0.586 61.566 62.300 -0.248 0.000 0.893 304 V CB 1.513 33.175 31.823 -0.268 0.000 0.982 304 V HN 0.862 nan 8.190 nan 0.000 0.452 305 S N 3.651 119.237 115.700 -0.190 0.000 2.667 305 S HA 0.751 5.221 4.470 -0.000 0.000 0.304 305 S C -0.166 174.373 174.600 -0.103 0.000 1.135 305 S CA -0.199 57.962 58.200 -0.066 0.000 1.125 305 S CB 0.606 63.824 63.200 0.031 0.000 0.996 305 S HN 1.078 nan 8.310 nan 0.000 0.474 306 A N 3.408 126.184 122.820 -0.075 0.000 2.282 306 A HA 0.856 5.176 4.320 -0.000 0.000 0.319 306 A C -0.112 177.481 177.584 0.015 0.000 1.121 306 A CA -0.571 51.440 52.037 -0.044 0.000 0.836 306 A CB 1.011 19.980 19.000 -0.052 0.000 1.146 306 A HN 0.662 nan 8.150 nan 0.000 0.494 307 T N 1.110 115.709 114.554 0.075 0.000 3.348 307 T HA 0.388 4.738 4.350 -0.000 0.000 0.328 307 T C -0.934 173.886 174.700 0.200 0.000 0.913 307 T CA -0.290 61.882 62.100 0.119 0.000 1.043 307 T CB 0.702 69.639 68.868 0.114 0.000 1.021 307 T HN 0.484 nan 8.240 nan 0.000 0.461 308 V N 4.878 124.892 119.914 0.166 0.000 2.509 308 V HA 0.571 4.691 4.120 -0.000 0.000 0.284 308 V C 0.006 176.240 176.094 0.233 0.000 1.047 308 V CA -0.635 61.772 62.300 0.179 0.000 0.952 308 V CB 1.327 33.278 31.823 0.212 0.000 0.988 308 V HN 0.757 nan 8.190 nan 0.000 0.469 309 I N 5.095 125.743 120.570 0.130 0.000 2.447 309 I HA 0.371 4.541 4.170 -0.000 0.000 0.287 309 I C -0.177 175.891 176.117 -0.082 0.000 1.023 309 I CA -0.549 60.812 61.300 0.102 0.000 1.083 309 I CB 1.874 39.969 38.000 0.158 0.000 1.245 309 I HN 0.416 nan 8.210 nan 0.000 0.434 310 L N 4.923 126.082 121.223 -0.106 0.000 2.492 310 L HA 0.022 4.362 4.340 -0.000 0.000 0.280 310 L C 1.124 177.922 176.870 -0.119 0.000 1.240 310 L CA 0.060 54.791 54.840 -0.182 0.000 0.831 310 L CB 0.068 42.069 42.059 -0.096 0.000 1.100 310 L HN 0.632 nan 8.230 nan 0.000 0.505 311 H N -0.739 118.320 119.070 -0.018 0.000 2.561 311 H HA -0.085 4.471 4.556 -0.000 0.000 0.278 311 H C 1.868 177.211 175.328 0.026 0.000 1.014 311 H CA 1.000 57.052 56.048 0.007 0.000 1.211 311 H CB 0.218 29.979 29.762 -0.001 0.000 1.365 311 H HN 0.688 nan 8.280 nan 0.000 0.594 312 S N -1.531 114.243 115.700 0.123 0.000 2.517 312 S HA 0.126 4.596 4.470 -0.000 0.000 0.214 312 S C 1.878 176.526 174.600 0.081 0.000 0.991 312 S CA 0.200 58.459 58.200 0.099 0.000 0.906 312 S CB 0.289 63.548 63.200 0.098 0.000 0.789 312 S HN 0.518 nan 8.310 nan 0.000 0.513 313 G N 1.056 109.900 108.800 0.073 0.000 2.225 313 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.267 313 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.267 313 G C 0.736 175.683 174.900 0.077 0.000 1.024 313 G CA 0.632 45.773 45.100 0.069 0.000 0.784 313 G HN 0.589 nan 8.290 nan 0.000 0.507 314 S N -0.909 114.847 115.700 0.094 0.000 2.427 314 S HA 0.206 4.675 4.470 -0.000 0.000 0.224 314 S C 0.806 175.482 174.600 0.127 0.000 1.047 314 S CA 0.957 59.218 58.200 0.102 0.000 0.953 314 S CB 0.333 63.599 63.200 0.110 0.000 0.824 314 S HN 0.630 nan 8.310 nan 0.000 0.502 315 D N -0.204 120.303 120.400 0.178 0.000 2.419 315 D HA 0.616 5.256 4.640 -0.000 0.000 0.234 315 D C -0.924 175.538 176.300 0.270 0.000 1.014 315 D CA -0.503 53.641 54.000 0.240 0.000 0.919 315 D CB 1.518 42.549 40.800 0.384 0.000 1.366 315 D HN 0.066 nan 8.370 nan 0.000 0.490 316 M N 2.276 121.995 119.600 0.199 0.000 2.322 316 M HA 0.480 4.960 4.480 -0.000 0.000 0.285 316 M C -2.226 174.071 176.300 -0.005 0.000 1.119 316 M CA -0.561 54.833 55.300 0.157 0.000 0.953 316 M CB 1.707 34.359 32.600 0.088 0.000 1.701 316 M HN 0.142 nan 8.290 nan 0.000 0.479 317 V N 4.036 123.924 119.914 -0.043 0.000 2.656 317 V HA 0.488 4.608 4.120 -0.000 0.000 0.307 317 V C -0.986 175.062 176.094 -0.077 0.000 1.051 317 V CA -0.571 61.603 62.300 -0.210 0.000 0.893 317 V CB 2.266 33.729 31.823 -0.600 0.000 0.999 317 V HN 0.862 nan 8.190 nan 0.000 0.426 318 Q N 2.662 122.415 119.800 -0.078 0.000 2.341 318 Q HA 0.760 5.100 4.340 -0.000 0.000 0.268 318 Q C -0.312 175.659 176.000 -0.047 0.000 1.013 318 Q CA -0.319 55.461 55.803 -0.039 0.000 0.798 318 Q CB 2.308 31.029 28.738 -0.029 0.000 1.253 318 Q HN 0.926 nan 8.270 nan 0.000 0.457 319 A N 2.833 125.633 122.820 -0.034 0.000 2.282 319 A HA 0.778 5.098 4.320 -0.000 0.000 0.324 319 A C -0.750 176.822 177.584 -0.019 0.000 1.119 319 A CA -0.406 51.612 52.037 -0.032 0.000 0.880 319 A CB 1.504 20.485 19.000 -0.031 0.000 1.294 319 A HN 0.731 nan 8.150 nan 0.000 0.493 320 E N -0.540 119.654 120.200 -0.010 0.000 2.481 320 E HA 0.387 4.737 4.350 -0.000 0.000 0.301 320 E C -1.580 175.033 176.600 0.021 0.000 0.948 320 E CA -0.568 55.837 56.400 0.009 0.000 0.804 320 E CB 1.293 31.005 29.700 0.020 0.000 1.265 320 E HN 0.590 nan 8.360 nan 0.000 0.406 321 R N 2.287 122.807 120.500 0.034 0.000 2.343 321 R HA 0.516 4.856 4.340 -0.000 0.000 0.320 321 R C -1.514 174.845 176.300 0.099 0.000 0.956 321 R CA -0.232 55.898 56.100 0.049 0.000 0.836 321 R CB 1.295 31.616 30.300 0.036 0.000 1.151 321 R HN 0.427 nan 8.270 nan 0.000 0.450 322 S N 2.080 117.835 115.700 0.092 0.000 2.526 322 S HA 0.742 5.212 4.470 -0.000 0.000 0.293 322 S C 0.403 175.062 174.600 0.098 0.000 1.092 322 S CA -0.250 58.023 58.200 0.122 0.000 0.980 322 S CB 1.893 65.131 63.200 0.063 0.000 1.048 322 S HN 1.152 nan 8.310 nan 0.000 0.483 323 G N 1.217 110.088 108.800 0.118 0.000 2.148 323 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.157 323 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.157 323 G C -0.147 174.822 174.900 0.115 0.000 1.012 323 G CA -0.423 44.738 45.100 0.101 0.000 0.677 323 G HN 0.863 nan 8.290 nan 0.000 0.506 324 I N 2.390 123.037 120.570 0.129 0.000 2.576 324 I HA 0.175 4.345 4.170 -0.000 0.000 0.288 324 I C -1.820 174.392 176.117 0.158 0.000 1.126 324 I CA -1.520 59.864 61.300 0.140 0.000 1.362 324 I CB 0.524 38.599 38.000 0.125 0.000 1.419 324 I HN -0.076 nan 8.210 nan 0.000 0.533 325 P HA 0.195 nan 4.420 nan 0.000 0.271 325 P C -0.379 177.050 177.300 0.215 0.000 1.216 325 P CA -0.027 63.174 63.100 0.169 0.000 0.776 325 P CB 0.648 32.438 31.700 0.149 0.000 0.881 326 I N 3.455 124.126 120.570 0.168 0.000 2.412 326 I HA 0.235 4.405 4.170 -0.000 0.000 0.279 326 I C 0.216 176.396 176.117 0.105 0.000 1.063 326 I CA -0.719 60.691 61.300 0.184 0.000 1.193 326 I CB 0.561 38.656 38.000 0.159 0.000 1.370 326 I HN 0.104 nan 8.210 nan 0.000 0.479 327 V N 1.338 121.313 119.914 0.101 0.000 3.074 327 V HA 0.519 4.639 4.120 -0.000 0.000 0.314 327 V C 0.906 177.044 176.094 0.074 0.000 1.117 327 V CA -0.448 61.880 62.300 0.046 0.000 1.014 327 V CB 1.494 33.311 31.823 -0.010 0.000 1.057 327 V HN 0.655 nan 8.190 nan 0.000 0.438 328 T N -2.094 112.512 114.554 0.086 0.000 3.100 328 T HA 0.209 4.559 4.350 -0.000 0.000 0.253 328 T C 0.697 175.567 174.700 0.283 0.000 1.118 328 T CA 0.778 63.002 62.100 0.206 0.000 1.058 328 T CB -0.123 68.852 68.868 0.178 0.000 0.953 328 T HN 1.064 nan 8.240 nan 0.000 0.515 329 S N 1.144 116.891 115.700 0.078 0.000 2.575 329 S HA 0.530 5.000 4.470 -0.000 0.000 0.278 329 S C -2.691 171.717 174.600 -0.319 0.000 1.139 329 S CA -1.370 56.806 58.200 -0.040 0.000 0.954 329 S CB 1.985 65.181 63.200 -0.006 0.000 1.054 329 S HN -0.103 nan 8.310 nan 0.000 0.483 330 P HA 0.146 nan 4.420 nan 0.000 0.239 330 P C -0.967 175.605 177.300 -1.213 0.000 1.184 330 P CA 0.891 63.232 63.100 -1.265 0.000 0.760 330 P CB -0.192 30.948 31.700 -0.932 0.000 0.884 331 Y N -1.797 118.315 120.300 -0.314 0.000 2.638 331 Y HA 0.561 5.111 4.550 -0.000 0.000 0.339 331 Y C 0.286 176.078 175.900 -0.179 0.000 1.084 331 Y CA -0.979 56.993 58.100 -0.213 0.000 1.068 331 Y CB 1.520 39.883 38.460 -0.163 0.000 1.294 331 Y HN -0.350 nan 8.280 nan 0.000 0.480 332 Q N 1.316 121.126 119.800 0.017 0.000 2.345 332 Q HA 0.661 5.001 4.340 -0.000 0.000 0.275 332 Q C -1.662 174.223 176.000 -0.191 0.000 1.063 332 Q CA -0.759 54.985 55.803 -0.097 0.000 0.819 332 Q CB 3.438 32.151 28.738 -0.042 0.000 1.356 332 Q HN 0.531 nan 8.270 nan 0.000 0.418 333 I N 1.725 122.081 120.570 -0.357 0.000 2.433 333 I HA 0.421 4.590 4.170 -0.000 0.000 0.292 333 I C -1.033 174.708 176.117 -0.627 0.000 1.001 333 I CA -0.717 60.340 61.300 -0.404 0.000 1.119 333 I CB 1.393 39.174 38.000 -0.365 0.000 1.289 333 I HN 0.581 nan 8.210 nan 0.000 0.438 334 H N 5.080 124.025 119.070 -0.209 0.000 2.667 334 H HA 0.368 4.924 4.556 -0.000 0.000 0.353 334 H C -0.839 174.391 175.328 -0.163 0.000 1.072 334 H CA -0.423 55.584 56.048 -0.068 0.000 1.214 334 H CB 1.542 31.435 29.762 0.219 0.000 1.600 334 H HN 0.407 nan 8.280 nan 0.000 0.527 335 F N 1.042 121.134 119.950 0.237 0.000 2.898 335 F HA 0.078 4.604 4.527 -0.000 0.000 0.290 335 F C 1.708 177.611 175.800 0.172 0.000 1.195 335 F CA -0.186 57.921 58.000 0.178 0.000 1.387 335 F CB -0.026 39.051 39.000 0.130 0.000 0.976 335 F HN 0.595 nan 8.300 nan 0.000 0.510 336 T N -3.626 111.103 114.554 0.291 0.000 3.085 336 T HA -0.029 4.320 4.350 -0.000 0.000 0.263 336 T C 1.362 176.183 174.700 0.200 0.000 1.127 336 T CA 0.662 62.886 62.100 0.208 0.000 1.103 336 T CB -0.126 68.821 68.868 0.132 0.000 0.921 336 T HN 0.262 nan 8.240 nan 0.000 0.510 337 K N 0.911 121.414 120.400 0.172 0.000 2.414 337 K HA 0.215 4.535 4.320 -0.000 0.000 0.204 337 K C -0.423 176.262 176.600 0.143 0.000 1.026 337 K CA -0.110 56.264 56.287 0.145 0.000 1.108 337 K CB 1.004 33.444 32.500 -0.100 0.000 0.855 337 K HN 0.198 nan 8.250 nan 0.000 0.517 338 T N 2.863 117.549 114.554 0.220 0.000 2.792 338 T HA 0.289 4.639 4.350 -0.000 0.000 0.280 338 T C -2.723 172.126 174.700 0.248 0.000 0.990 338 T CA -1.919 60.306 62.100 0.208 0.000 0.960 338 T CB 1.867 70.922 68.868 0.312 0.000 0.939 338 T HN -0.157 nan 8.240 nan 0.000 0.439 339 P HA 0.083 nan 4.420 nan 0.000 0.265 339 P C 0.378 177.901 177.300 0.371 0.000 1.187 339 P CA -0.250 63.043 63.100 0.321 0.000 0.766 339 P CB 0.513 32.418 31.700 0.342 0.000 0.820 340 K N 1.895 122.409 120.400 0.189 0.000 2.446 340 K HA 0.167 4.487 4.320 -0.000 0.000 0.203 340 K C -0.473 175.834 176.600 -0.489 0.000 1.027 340 K CA 0.116 56.315 56.287 -0.148 0.000 1.166 340 K CB -0.163 32.153 32.500 -0.307 0.000 0.869 340 K HN 0.521 nan 8.250 nan 0.000 0.504 341 Y N 0.269 120.699 120.300 0.217 0.000 2.433 341 Y HA 0.306 4.856 4.550 -0.000 0.000 0.337 341 Y C -0.239 175.796 175.900 0.225 0.000 1.026 341 Y CA -1.828 56.360 58.100 0.146 0.000 1.037 341 Y CB 1.247 39.788 38.460 0.134 0.000 1.245 341 Y HN -0.018 nan 8.280 nan 0.000 0.443 342 F N -0.268 119.714 119.950 0.053 0.000 2.523 342 F HA 0.902 5.429 4.527 0.000 0.000 0.329 342 F C -1.053 174.798 175.800 0.086 0.000 1.061 342 F CA -1.604 56.400 58.000 0.007 0.000 0.967 342 F CB 1.221 39.931 39.000 -0.484 0.000 1.218 342 F HN 0.107 nan 8.300 nan 0.000 0.480 343 K N 2.749 123.230 120.400 0.136 0.000 2.253 343 K HA 0.400 4.720 4.320 -0.000 0.000 0.277 343 K C -2.739 173.765 176.600 -0.159 0.000 1.053 343 K CA -2.025 54.167 56.287 -0.158 0.000 0.892 343 K CB 0.768 33.213 32.500 -0.092 0.000 1.102 343 K HN 0.289 nan 8.250 nan 0.000 0.469 344 P HA -0.025 nan 4.420 nan 0.000 0.257 344 P C 0.511 177.731 177.300 -0.135 0.000 1.189 344 P CA 0.896 63.928 63.100 -0.113 0.000 0.780 344 P CB 0.422 31.999 31.700 -0.205 0.000 0.772 345 G N 2.458 111.256 108.800 -0.003 0.000 2.132 345 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.234 345 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.234 345 G C -0.070 174.783 174.900 -0.078 0.000 0.989 345 G CA -0.312 44.763 45.100 -0.043 0.000 0.676 345 G HN 0.460 nan 8.290 nan 0.000 0.522 346 M N -0.329 119.223 119.600 -0.081 0.000 2.518 346 M HA 0.416 4.896 4.480 -0.000 0.000 0.300 346 M C -2.793 173.423 176.300 -0.140 0.000 1.175 346 M CA -2.202 53.012 55.300 -0.143 0.000 0.890 346 M CB 2.172 34.654 32.600 -0.196 0.000 1.710 346 M HN -0.176 nan 8.290 nan 0.000 0.453 347 P HA 0.009 nan 4.420 nan 0.000 0.260 347 P C -1.264 175.986 177.300 -0.083 0.000 1.207 347 P CA 0.328 63.336 63.100 -0.154 0.000 0.780 347 P CB -0.177 31.414 31.700 -0.181 0.000 0.789 348 F N 4.183 124.085 119.950 -0.079 0.000 2.410 348 F HA 0.289 4.816 4.527 -0.000 0.000 0.349 348 F C -0.003 175.817 175.800 0.033 0.000 1.117 348 F CA -0.644 57.371 58.000 0.026 0.000 1.104 348 F CB 0.707 39.726 39.000 0.032 0.000 1.122 348 F HN 0.174 nan 8.300 nan 0.000 0.483 349 D N 6.428 126.447 120.400 -0.634 0.000 2.225 349 D HA 0.360 5.000 4.640 -0.000 0.000 0.248 349 D C -0.901 175.003 176.300 -0.660 0.000 1.096 349 D CA 0.038 53.755 54.000 -0.470 0.000 0.863 349 D CB 1.689 42.326 40.800 -0.272 0.000 1.156 349 D HN 0.328 nan 8.370 nan 0.000 0.450 350 L N 2.593 123.654 121.223 -0.271 0.000 2.298 350 L HA 0.330 4.669 4.340 -0.000 0.000 0.284 350 L C 0.110 176.977 176.870 -0.006 0.000 1.013 350 L CA -0.307 54.488 54.840 -0.075 0.000 0.824 350 L CB 1.240 43.365 42.059 0.109 0.000 1.221 350 L HN 0.186 nan 8.230 nan 0.000 0.418 351 M N 4.204 123.820 119.600 0.027 0.000 3.117 351 M HA 0.260 4.740 4.480 -0.000 0.000 0.292 351 M C -0.463 175.891 176.300 0.090 0.000 1.357 351 M CA -0.430 54.882 55.300 0.020 0.000 1.463 351 M CB 0.404 32.980 32.600 -0.040 0.000 1.105 351 M HN 0.140 nan 8.290 nan 0.000 0.553 352 V N 3.041 122.997 119.914 0.069 0.000 2.540 352 V HA -0.039 4.081 4.120 -0.000 0.000 0.297 352 V C -0.101 176.036 176.094 0.072 0.000 1.024 352 V CA 0.266 62.569 62.300 0.005 0.000 1.105 352 V CB -0.028 31.770 31.823 -0.041 0.000 0.938 352 V HN 0.516 nan 8.190 nan 0.000 0.482 353 F N 6.520 126.402 119.950 -0.114 0.000 2.310 353 F HA 0.522 5.049 4.527 0.000 0.000 0.365 353 F C -0.040 175.765 175.800 0.008 0.000 1.080 353 F CA -0.804 57.177 58.000 -0.030 0.000 1.187 353 F CB 0.828 39.841 39.000 0.022 0.000 1.465 353 F HN 0.256 nan 8.300 nan 0.000 0.496 354 V N 4.423 124.161 119.914 -0.293 0.000 2.530 354 V HA 0.464 4.583 4.120 -0.000 0.000 0.282 354 V C 0.239 176.104 176.094 -0.382 0.000 1.048 354 V CA -0.014 62.121 62.300 -0.274 0.000 0.997 354 V CB 1.130 32.837 31.823 -0.193 0.000 0.987 354 V HN 0.779 nan 8.190 nan 0.000 0.477 355 T N 1.366 115.781 114.554 -0.231 0.000 2.903 355 T HA 0.482 4.832 4.350 -0.000 0.000 0.299 355 T C -0.490 174.196 174.700 -0.022 0.000 1.093 355 T CA -1.040 60.951 62.100 -0.182 0.000 1.002 355 T CB 1.619 70.336 68.868 -0.250 0.000 1.127 355 T HN 0.408 nan 8.240 nan 0.000 0.488 356 N N 2.012 120.707 118.700 -0.008 0.000 2.444 356 N HA 0.248 4.987 4.740 -0.000 0.000 0.255 356 N C -1.732 173.761 175.510 -0.029 0.000 1.255 356 N CA -1.788 51.243 53.050 -0.033 0.000 0.933 356 N CB 0.589 39.096 38.487 0.035 0.000 1.143 356 N HN 0.407 nan 8.380 nan 0.000 0.453 357 P HA -0.167 nan 4.420 nan 0.000 0.218 357 P C 0.676 178.008 177.300 0.053 0.000 1.146 357 P CA 1.285 64.362 63.100 -0.038 0.000 0.813 357 P CB 0.192 31.846 31.700 -0.077 0.000 0.778 358 D N -2.073 118.375 120.400 0.081 0.000 2.162 358 D HA -0.014 4.626 4.640 -0.000 0.000 0.203 358 D C 1.676 178.020 176.300 0.073 0.000 0.967 358 D CA 1.817 55.871 54.000 0.089 0.000 0.840 358 D CB -0.815 40.045 40.800 0.100 0.000 0.972 358 D HN 0.280 nan 8.370 nan 0.000 0.482 359 G N -0.197 108.640 108.800 0.062 0.000 3.033 359 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.208 359 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.208 359 G C 0.211 175.140 174.900 0.049 0.000 1.006 359 G CA 0.226 45.361 45.100 0.058 0.000 0.808 359 G HN 0.682 nan 8.290 nan 0.000 0.499 360 S N 2.555 118.286 115.700 0.052 0.000 2.549 360 S HA 0.572 5.042 4.470 -0.000 0.000 0.283 360 S C -1.923 172.685 174.600 0.013 0.000 1.320 360 S CA -0.822 57.408 58.200 0.051 0.000 1.058 360 S CB 1.485 64.721 63.200 0.059 0.000 0.882 360 S HN 0.355 nan 8.310 nan 0.000 0.498 361 P HA 0.165 nan 4.420 nan 0.000 0.267 361 P C -0.722 176.585 177.300 0.013 0.000 1.200 361 P CA -0.071 62.989 63.100 -0.065 0.000 0.772 361 P CB 0.311 32.026 31.700 0.026 0.000 0.855 362 A N 3.605 126.427 122.820 0.002 0.000 2.276 362 A HA 0.376 4.696 4.320 -0.000 0.000 0.316 362 A C -0.909 176.747 177.584 0.120 0.000 1.229 362 A CA -0.615 51.489 52.037 0.111 0.000 0.851 362 A CB 0.095 19.215 19.000 0.200 0.000 1.165 362 A HN 0.590 nan 8.150 nan 0.000 0.513 363 Y N 2.454 122.775 120.300 0.034 0.000 2.308 363 Y HA 0.483 5.033 4.550 -0.000 0.000 0.329 363 Y C 0.789 176.691 175.900 0.004 0.000 1.111 363 Y CA -0.012 58.095 58.100 0.011 0.000 1.179 363 Y CB 0.621 39.091 38.460 0.018 0.000 1.201 363 Y HN 0.867 nan 8.280 nan 0.000 0.483 364 R N 2.946 123.019 120.500 -0.711 0.000 2.873 364 R HA -0.122 4.218 4.340 -0.000 0.000 0.281 364 R C -1.776 174.358 176.300 -0.277 0.000 0.933 364 R CA 0.662 56.436 56.100 -0.543 0.000 0.712 364 R CB -1.338 28.650 30.300 -0.519 0.000 1.780 364 R HN 0.405 nan 8.270 nan 0.000 0.488 365 V N 3.175 122.923 119.914 -0.276 0.000 2.501 365 V HA 0.402 4.522 4.120 -0.000 0.000 0.277 365 V C -2.069 173.861 176.094 -0.272 0.000 1.004 365 V CA -1.975 60.133 62.300 -0.319 0.000 0.862 365 V CB 1.813 33.341 31.823 -0.492 0.000 1.035 365 V HN 0.237 nan 8.190 nan 0.000 0.448 366 P HA 0.173 nan 4.420 nan 0.000 0.265 366 P C -0.470 176.732 177.300 -0.162 0.000 1.187 366 P CA 0.601 63.602 63.100 -0.165 0.000 0.766 366 P CB 1.226 32.845 31.700 -0.135 0.000 0.820 367 V N -1.019 118.822 119.914 -0.121 0.000 3.130 367 V HA 0.992 5.112 4.120 -0.000 0.000 0.310 367 V C -0.736 175.323 176.094 -0.059 0.000 1.158 367 V CA -1.030 61.212 62.300 -0.098 0.000 1.029 367 V CB 1.595 33.361 31.823 -0.095 0.000 1.057 367 V HN 0.841 nan 8.190 nan 0.000 0.436 368 A N 1.075 123.874 122.820 -0.036 0.000 2.515 368 A HA 0.932 5.252 4.320 -0.000 0.000 0.299 368 A C -0.935 176.655 177.584 0.010 0.000 1.179 368 A CA -0.257 51.770 52.037 -0.016 0.000 0.656 368 A CB 1.237 20.222 19.000 -0.026 0.000 1.306 368 A HN 1.648 nan 8.150 nan 0.000 0.459 369 V N 0.147 120.067 119.914 0.010 0.000 3.096 369 V HA 0.342 4.462 4.120 -0.000 0.000 0.319 369 V C 1.645 177.743 176.094 0.006 0.000 1.082 369 V CA 0.139 62.451 62.300 0.019 0.000 1.022 369 V CB 1.357 33.187 31.823 0.012 0.000 1.103 369 V HN 1.091 nan 8.190 nan 0.000 0.455 370 Q N 1.736 121.539 119.800 0.005 0.000 1.998 370 Q HA -0.089 4.251 4.340 -0.000 0.000 0.209 370 Q C 1.219 177.214 176.000 -0.008 0.000 1.002 370 Q CA 2.276 58.078 55.803 -0.003 0.000 0.858 370 Q CB -0.955 27.778 28.738 -0.008 0.000 0.932 370 Q HN 0.985 nan 8.270 nan 0.000 0.416 371 G N -1.119 107.675 108.800 -0.011 0.000 2.531 371 G HA2 0.227 4.187 3.960 -0.000 0.000 0.253 371 G HA3 0.227 4.187 3.960 -0.000 0.000 0.253 371 G C -0.865 174.028 174.900 -0.012 0.000 1.439 371 G CA -0.048 45.045 45.100 -0.011 0.000 1.056 371 G HN 0.380 nan 8.290 nan 0.000 0.555 372 E N -0.005 120.188 120.200 -0.012 0.000 2.273 372 E HA -0.143 4.207 4.350 -0.000 0.000 0.177 372 E C 0.360 176.951 176.600 -0.016 0.000 1.511 372 E CA 0.697 57.089 56.400 -0.014 0.000 0.675 372 E CB -0.840 28.851 29.700 -0.015 0.000 1.094 372 E HN 0.520 nan 8.360 nan 0.000 0.348 373 D N -0.609 119.781 120.400 -0.016 0.000 2.265 373 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 373 D C 1.715 178.002 176.300 -0.021 0.000 0.977 373 D CA 1.711 55.700 54.000 -0.018 0.000 0.871 373 D CB -0.003 40.787 40.800 -0.017 0.000 0.925 373 D HN 0.453 nan 8.370 nan 0.000 0.485 374 T N -0.407 114.135 114.554 -0.020 0.000 2.942 374 T HA -0.035 4.315 4.350 -0.000 0.000 0.265 374 T C 0.925 175.611 174.700 -0.024 0.000 1.062 374 T CA 0.041 62.128 62.100 -0.021 0.000 1.139 374 T CB -0.088 68.768 68.868 -0.019 0.000 0.883 374 T HN -0.080 nan 8.240 nan 0.000 0.468 375 V N 2.313 122.213 119.914 -0.023 0.000 2.599 375 V HA 0.319 4.439 4.120 -0.000 0.000 0.300 375 V C -0.343 175.734 176.094 -0.029 0.000 1.034 375 V CA 0.376 62.661 62.300 -0.025 0.000 1.115 375 V CB 0.847 32.657 31.823 -0.021 0.000 0.934 375 V HN 0.577 nan 8.190 nan 0.000 0.485 376 Q N 3.710 123.490 119.800 -0.034 0.000 2.590 376 Q HA 0.712 5.052 4.340 -0.000 0.000 0.295 376 Q C -1.450 174.521 176.000 -0.048 0.000 0.973 376 Q CA -0.648 55.129 55.803 -0.044 0.000 0.768 376 Q CB 2.634 31.343 28.738 -0.048 0.000 1.479 376 Q HN 0.897 nan 8.270 nan 0.000 0.419 377 S N 0.154 115.818 115.700 -0.061 0.000 2.583 377 S HA 0.477 4.947 4.470 -0.000 0.000 0.294 377 S C -1.621 172.924 174.600 -0.091 0.000 1.121 377 S CA -0.764 57.396 58.200 -0.067 0.000 0.910 377 S CB 0.621 63.788 63.200 -0.055 0.000 1.102 377 S HN 0.348 nan 8.310 nan 0.000 0.451 378 L N 2.186 123.347 121.223 -0.104 0.000 2.439 378 L HA 0.632 4.972 4.340 -0.000 0.000 0.259 378 L C 0.875 177.657 176.870 -0.146 0.000 1.129 378 L CA 0.240 54.994 54.840 -0.144 0.000 0.803 378 L CB 1.076 43.036 42.059 -0.165 0.000 1.161 378 L HN 0.878 nan 8.230 nan 0.000 0.462 379 T N 1.296 115.736 114.554 -0.189 0.000 2.845 379 T HA 0.358 4.708 4.350 -0.000 0.000 0.288 379 T C 0.143 174.747 174.700 -0.160 0.000 0.980 379 T CA -0.549 61.461 62.100 -0.150 0.000 1.071 379 T CB 0.864 69.644 68.868 -0.146 0.000 0.941 379 T HN 0.447 nan 8.240 nan 0.000 0.487 380 Q N 1.155 120.935 119.800 -0.033 0.000 2.370 380 Q HA 0.361 4.701 4.340 -0.000 0.000 0.186 380 Q C 1.895 178.061 176.000 0.277 0.000 1.093 380 Q CA -0.525 55.325 55.803 0.079 0.000 1.142 380 Q CB 0.149 28.925 28.738 0.063 0.000 1.175 380 Q HN 0.830 nan 8.270 nan 0.000 0.625 381 G N 0.603 109.604 108.800 0.336 0.000 2.534 381 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 381 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 381 G C 0.739 175.727 174.900 0.147 0.000 1.128 381 G CA 0.930 46.182 45.100 0.255 0.000 0.784 381 G HN 0.752 nan 8.290 nan 0.000 0.542 382 D N -0.532 119.944 120.400 0.127 0.000 2.333 382 D HA 0.148 4.788 4.640 -0.000 0.000 0.208 382 D C 1.685 178.097 176.300 0.187 0.000 0.984 382 D CA 0.858 54.932 54.000 0.123 0.000 0.873 382 D CB -0.503 40.344 40.800 0.079 0.000 0.935 382 D HN 0.500 nan 8.370 nan 0.000 0.521 383 G N -0.515 108.372 108.800 0.145 0.000 2.134 383 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.209 383 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.209 383 G C -0.222 174.750 174.900 0.119 0.000 0.993 383 G CA 0.064 45.202 45.100 0.064 0.000 0.669 383 G HN 0.372 nan 8.290 nan 0.000 0.519 384 V N 0.473 120.470 119.914 0.138 0.000 2.540 384 V HA 0.864 4.984 4.120 -0.000 0.000 0.302 384 V C 0.544 176.650 176.094 0.021 0.000 1.035 384 V CA -0.273 62.099 62.300 0.120 0.000 0.873 384 V CB 1.644 33.518 31.823 0.085 0.000 0.992 384 V HN 1.140 nan 8.190 nan 0.000 0.428 385 A N 3.766 126.585 122.820 -0.002 0.000 2.306 385 A HA 0.853 5.173 4.320 -0.000 0.000 0.330 385 A C -0.400 177.164 177.584 -0.034 0.000 1.146 385 A CA -0.713 51.302 52.037 -0.036 0.000 0.827 385 A CB 1.261 20.227 19.000 -0.056 0.000 1.178 385 A HN 0.700 nan 8.150 nan 0.000 0.490 386 K N 1.770 122.143 120.400 -0.045 0.000 2.292 386 K HA 0.622 4.942 4.320 -0.000 0.000 0.270 386 K C -1.473 175.101 176.600 -0.042 0.000 1.062 386 K CA 0.177 56.434 56.287 -0.050 0.000 0.916 386 K CB -0.120 32.347 32.500 -0.055 0.000 1.166 386 K HN 0.592 nan 8.250 nan 0.000 0.458 387 L N 2.714 123.915 121.223 -0.037 0.000 2.354 387 L HA 0.620 4.960 4.340 -0.000 0.000 0.269 387 L C -0.726 176.119 176.870 -0.041 0.000 1.005 387 L CA -0.867 53.959 54.840 -0.025 0.000 0.819 387 L CB 2.341 44.406 42.059 0.010 0.000 1.311 387 L HN 0.846 nan 8.230 nan 0.000 0.423 388 S N 2.551 118.234 115.700 -0.029 0.000 2.614 388 S HA 0.744 5.213 4.470 -0.000 0.000 0.275 388 S C -0.888 173.705 174.600 -0.012 0.000 1.161 388 S CA -0.768 57.412 58.200 -0.032 0.000 0.969 388 S CB 1.609 64.783 63.200 -0.042 0.000 1.059 388 S HN 0.578 nan 8.310 nan 0.000 0.482 389 I N -0.184 120.394 120.570 0.013 0.000 2.785 389 I HA 0.655 4.824 4.170 -0.000 0.000 0.302 389 I C -1.012 175.088 176.117 -0.027 0.000 1.069 389 I CA -1.205 60.094 61.300 -0.002 0.000 1.045 389 I CB 2.049 40.057 38.000 0.014 0.000 1.236 389 I HN 0.613 nan 8.210 nan 0.000 0.429 390 N N 2.319 120.971 118.700 -0.080 0.000 2.438 390 N HA 0.486 5.226 4.740 -0.000 0.000 0.282 390 N C -0.929 174.451 175.510 -0.216 0.000 1.037 390 N CA -0.434 52.537 53.050 -0.132 0.000 0.942 390 N CB 1.762 40.161 38.487 -0.145 0.000 1.136 390 N HN 0.642 nan 8.380 nan 0.000 0.481 391 T N 0.742 115.174 114.554 -0.204 0.000 2.945 391 T HA 0.311 4.661 4.350 -0.000 0.000 0.286 391 T C -0.375 174.167 174.700 -0.263 0.000 1.025 391 T CA -0.659 61.297 62.100 -0.240 0.000 1.039 391 T CB 0.900 69.670 68.868 -0.164 0.000 1.068 391 T HN 0.350 nan 8.240 nan 0.000 0.497 392 H N 1.071 120.125 119.070 -0.028 0.000 2.488 392 H HA 0.224 4.780 4.556 -0.000 0.000 0.347 392 H C -2.018 173.335 175.328 0.042 0.000 1.174 392 H CA -2.193 53.857 56.048 0.002 0.000 1.307 392 H CB 0.731 30.489 29.762 -0.006 0.000 1.517 392 H HN 0.289 nan 8.280 nan 0.000 0.554 393 P HA -0.043 nan 4.420 nan 0.000 0.285 393 P C -0.286 177.089 177.300 0.126 0.000 1.521 393 P CA 0.180 63.348 63.100 0.113 0.000 0.792 393 P CB -0.426 31.332 31.700 0.096 0.000 1.613 394 S N -0.808 114.987 115.700 0.158 0.000 2.499 394 S HA 0.226 4.696 4.470 -0.000 0.000 0.279 394 S C 0.864 175.561 174.600 0.162 0.000 1.219 394 S CA -0.697 57.582 58.200 0.132 0.000 1.062 394 S CB 1.174 64.436 63.200 0.104 0.000 0.978 394 S HN -0.025 nan 8.310 nan 0.000 0.489 395 Q N 1.120 120.990 119.800 0.117 0.000 2.373 395 Q HA 0.146 4.486 4.340 -0.000 0.000 0.206 395 Q C 0.038 176.105 176.000 0.111 0.000 0.942 395 Q CA 0.326 56.191 55.803 0.103 0.000 0.953 395 Q CB -0.203 28.580 28.738 0.075 0.000 1.022 395 Q HN 0.729 nan 8.270 nan 0.000 0.502 396 K N 1.885 122.365 120.400 0.133 0.000 2.172 396 K HA 0.268 4.588 4.320 -0.000 0.000 0.276 396 K C -2.424 174.276 176.600 0.167 0.000 1.013 396 K CA -1.950 54.402 56.287 0.108 0.000 0.913 396 K CB 0.894 33.429 32.500 0.059 0.000 1.055 396 K HN -0.188 nan 8.250 nan 0.000 0.461 397 P HA -0.146 nan 4.420 nan 0.000 0.264 397 P C -1.016 176.300 177.300 0.026 0.000 1.173 397 P CA 0.268 63.449 63.100 0.135 0.000 0.761 397 P CB 0.380 32.109 31.700 0.049 0.000 0.794 398 L N 2.457 123.631 121.223 -0.082 0.000 2.265 398 L HA 0.332 4.672 4.340 -0.000 0.000 0.289 398 L C 0.125 176.832 176.870 -0.272 0.000 1.033 398 L CA -0.377 54.244 54.840 -0.364 0.000 0.814 398 L CB 0.915 42.380 42.059 -0.990 0.000 1.203 398 L HN 0.305 nan 8.230 nan 0.000 0.423 399 S N 5.190 120.771 115.700 -0.198 0.000 2.429 399 S HA 0.652 5.122 4.470 -0.000 0.000 0.302 399 S C -0.581 173.919 174.600 -0.167 0.000 1.115 399 S CA -0.530 57.572 58.200 -0.163 0.000 1.095 399 S CB 0.436 63.573 63.200 -0.104 0.000 0.987 399 S HN 0.432 nan 8.310 nan 0.000 0.474 400 I N 4.048 124.503 120.570 -0.191 0.000 2.465 400 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 400 I C -0.117 175.931 176.117 -0.116 0.000 1.014 400 I CA -0.200 61.007 61.300 -0.154 0.000 1.093 400 I CB 2.321 40.219 38.000 -0.171 0.000 1.267 400 I HN 0.434 nan 8.210 nan 0.000 0.431 401 T N 5.214 119.752 114.554 -0.026 0.000 2.809 401 T HA 0.507 4.857 4.350 -0.000 0.000 0.296 401 T C -0.286 174.474 174.700 0.101 0.000 1.015 401 T CA -0.473 61.654 62.100 0.046 0.000 0.954 401 T CB 1.101 69.983 68.868 0.024 0.000 0.950 401 T HN 0.189 nan 8.240 nan 0.000 0.450 402 V N 4.392 124.441 119.914 0.225 0.000 2.465 402 V HA 0.528 4.648 4.120 -0.000 0.000 0.279 402 V C 0.381 176.520 176.094 0.075 0.000 1.045 402 V CA -0.700 61.707 62.300 0.177 0.000 0.938 402 V CB 1.322 33.313 31.823 0.280 0.000 0.986 402 V HN 0.680 nan 8.190 nan 0.000 0.467 403 R N 2.500 123.012 120.500 0.020 0.000 2.513 403 R HA 0.427 4.767 4.340 -0.000 0.000 0.301 403 R C -0.168 176.100 176.300 -0.055 0.000 0.968 403 R CA -0.369 55.721 56.100 -0.016 0.000 0.872 403 R CB 1.684 31.977 30.300 -0.012 0.000 1.177 403 R HN 0.789 nan 8.270 nan 0.000 0.444 404 T N 2.430 116.932 114.554 -0.087 0.000 2.928 404 T HA 0.097 4.447 4.350 -0.000 0.000 0.305 404 T C 0.144 174.772 174.700 -0.121 0.000 1.035 404 T CA 0.112 62.125 62.100 -0.144 0.000 1.145 404 T CB 0.426 69.167 68.868 -0.211 0.000 0.963 404 T HN 0.458 nan 8.240 nan 0.000 0.545 405 K N 3.717 124.036 120.400 -0.135 0.000 3.045 405 K HA 0.204 4.524 4.320 -0.000 0.000 0.211 405 K C -0.026 176.505 176.600 -0.114 0.000 1.141 405 K CA -0.540 55.686 56.287 -0.102 0.000 1.036 405 K CB 0.647 33.099 32.500 -0.080 0.000 0.851 405 K HN 0.428 nan 8.250 nan 0.000 0.462 406 K N 2.118 122.430 120.400 -0.147 0.000 2.339 406 K HA 0.129 4.449 4.320 -0.000 0.000 0.286 406 K C 0.356 176.917 176.600 -0.065 0.000 1.050 406 K CA 0.237 56.446 56.287 -0.130 0.000 0.956 406 K CB 0.666 33.050 32.500 -0.194 0.000 0.990 406 K HN 0.296 nan 8.250 nan 0.000 0.475 407 Q N 2.085 121.854 119.800 -0.051 0.000 2.700 407 Q HA -0.054 4.286 4.340 -0.000 0.000 0.191 407 Q C 0.289 176.279 176.000 -0.017 0.000 1.134 407 Q CA 0.355 56.139 55.803 -0.033 0.000 1.193 407 Q CB 0.263 28.982 28.738 -0.030 0.000 1.250 407 Q HN 0.634 nan 8.270 nan 0.000 0.670 408 E N -2.388 117.802 120.200 -0.016 0.000 4.250 408 E HA -0.280 4.070 4.350 -0.000 0.000 0.325 408 E C -0.524 176.064 176.600 -0.019 0.000 0.640 408 E CA 0.970 57.363 56.400 -0.011 0.000 1.343 408 E CB -0.977 28.724 29.700 0.001 0.000 1.759 408 E HN 0.217 nan 8.360 nan 0.000 0.401 409 L N -0.167 121.043 121.223 -0.021 0.000 2.585 409 L HA 0.572 4.912 4.340 -0.000 0.000 0.260 409 L C 0.615 177.463 176.870 -0.037 0.000 1.085 409 L CA 0.160 54.978 54.840 -0.037 0.000 0.913 409 L CB 0.971 43.015 42.059 -0.026 0.000 1.638 409 L HN 0.150 nan 8.230 nan 0.000 0.531 410 S N -2.361 113.313 115.700 -0.043 0.000 2.671 410 S HA 0.429 4.899 4.470 -0.000 0.000 0.299 410 S C 0.231 174.814 174.600 -0.029 0.000 1.116 410 S CA -0.676 57.503 58.200 -0.034 0.000 0.912 410 S CB 1.479 64.658 63.200 -0.035 0.000 1.130 410 S HN 0.443 nan 8.310 nan 0.000 0.501 411 E N 0.368 120.553 120.200 -0.025 0.000 2.463 411 E HA -0.034 4.316 4.350 -0.000 0.000 0.201 411 E C 1.642 178.233 176.600 -0.015 0.000 1.045 411 E CA 0.985 57.373 56.400 -0.021 0.000 0.872 411 E CB -0.352 29.335 29.700 -0.020 0.000 0.797 411 E HN 0.717 nan 8.360 nan 0.000 0.538 412 A N 0.628 123.438 122.820 -0.017 0.000 2.044 412 A HA -0.013 4.307 4.320 -0.000 0.000 0.213 412 A C 1.686 179.283 177.584 0.021 0.000 1.169 412 A CA 0.202 52.233 52.037 -0.009 0.000 0.724 412 A CB 0.138 19.119 19.000 -0.032 0.000 0.840 412 A HN 0.073 nan 8.150 nan 0.000 0.463 413 E N 0.368 120.572 120.200 0.007 0.000 2.479 413 E HA 0.028 4.378 4.350 -0.000 0.000 0.193 413 E C -0.231 176.378 176.600 0.016 0.000 1.049 413 E CA -0.130 56.275 56.400 0.007 0.000 0.870 413 E CB 0.175 29.800 29.700 -0.125 0.000 0.944 413 E HN 0.512 nan 8.360 nan 0.000 0.492 414 Q N 0.462 120.270 119.800 0.014 0.000 2.259 414 Q HA 0.453 4.793 4.340 -0.000 0.000 0.246 414 Q C -0.321 175.689 176.000 0.016 0.000 0.920 414 Q CA -0.264 55.548 55.803 0.015 0.000 0.895 414 Q CB 1.519 30.249 28.738 -0.012 0.000 1.220 414 Q HN 0.059 nan 8.270 nan 0.000 0.439 415 A N 1.397 124.225 122.820 0.012 0.000 2.304 415 A HA 0.608 4.928 4.320 -0.000 0.000 0.323 415 A C -0.189 177.379 177.584 -0.027 0.000 1.195 415 A CA -0.385 51.649 52.037 -0.006 0.000 0.826 415 A CB 1.263 20.257 19.000 -0.009 0.000 1.184 415 A HN 0.579 nan 8.150 nan 0.000 0.496 416 T N 0.612 115.156 114.554 -0.017 0.000 2.924 416 T HA 0.751 5.101 4.350 -0.000 0.000 0.291 416 T C -0.713 173.994 174.700 0.012 0.000 1.045 416 T CA -0.593 61.506 62.100 -0.002 0.000 1.015 416 T CB 1.096 69.973 68.868 0.015 0.000 1.103 416 T HN 0.928 nan 8.240 nan 0.000 0.496 417 R N 1.147 121.691 120.500 0.073 0.000 2.643 417 R HA 0.645 4.985 4.340 -0.000 0.000 0.269 417 R C -1.661 174.834 176.300 0.326 0.000 1.037 417 R CA -0.378 55.820 56.100 0.163 0.000 0.894 417 R CB 1.821 32.180 30.300 0.098 0.000 1.238 417 R HN 0.696 nan 8.270 nan 0.000 0.459 418 T N 4.578 119.270 114.554 0.230 0.000 2.861 418 T HA 0.626 4.976 4.350 -0.000 0.000 0.287 418 T C -0.412 174.269 174.700 -0.031 0.000 1.003 418 T CA -0.736 61.412 62.100 0.080 0.000 0.977 418 T CB 1.079 69.959 68.868 0.020 0.000 0.996 418 T HN 0.650 nan 8.240 nan 0.000 0.448 419 M N 1.527 120.951 119.600 -0.293 0.000 2.755 419 M HA 0.719 5.199 4.480 -0.000 0.000 0.298 419 M C -1.334 174.818 176.300 -0.248 0.000 1.251 419 M CA -1.037 54.074 55.300 -0.316 0.000 0.817 419 M CB 2.386 34.607 32.600 -0.633 0.000 1.760 419 M HN 0.474 nan 8.290 nan 0.000 0.473 420 Q N 1.198 120.882 119.800 -0.194 0.000 2.275 420 Q HA 0.728 5.068 4.340 -0.000 0.000 0.266 420 Q C -2.092 173.803 176.000 -0.175 0.000 1.002 420 Q CA -0.557 55.148 55.803 -0.164 0.000 0.761 420 Q CB 2.303 30.980 28.738 -0.103 0.000 1.255 420 Q HN 0.955 nan 8.270 nan 0.000 0.446 421 A N 4.729 127.438 122.820 -0.186 0.000 2.312 421 A HA 0.720 5.040 4.320 -0.000 0.000 0.326 421 A C -1.012 176.629 177.584 0.094 0.000 1.172 421 A CA -0.604 51.350 52.037 -0.139 0.000 0.821 421 A CB 0.755 19.590 19.000 -0.276 0.000 1.166 421 A HN 0.789 nan 8.150 nan 0.000 0.493 422 L N 2.642 123.867 121.223 0.003 0.000 2.325 422 L HA 0.424 4.764 4.340 -0.000 0.000 0.278 422 L C -2.311 174.488 176.870 -0.118 0.000 1.023 422 L CA -2.231 52.652 54.840 0.071 0.000 0.811 422 L CB 2.019 44.121 42.059 0.072 0.000 1.249 422 L HN 0.433 nan 8.230 nan 0.000 0.431 423 P HA -0.085 nan 4.420 nan 0.000 0.269 423 P C -1.167 176.035 177.300 -0.165 0.000 1.215 423 P CA -0.013 62.662 63.100 -0.709 0.000 0.780 423 P CB 0.239 31.717 31.700 -0.369 0.000 0.898 424 Y N 2.316 122.509 120.300 -0.180 0.000 2.584 424 Y HA 0.161 4.711 4.550 -0.000 0.000 0.351 424 Y C 0.704 176.667 175.900 0.106 0.000 1.030 424 Y CA -0.036 58.081 58.100 0.029 0.000 1.332 424 Y CB 0.124 38.675 38.460 0.152 0.000 1.148 424 Y HN 0.206 nan 8.280 nan 0.000 0.528 425 S N 5.395 120.880 115.700 -0.358 0.000 2.466 425 S HA 0.137 4.607 4.470 -0.000 0.000 0.286 425 S C -0.048 174.303 174.600 -0.414 0.000 1.221 425 S CA -0.409 57.623 58.200 -0.280 0.000 1.091 425 S CB -0.285 62.775 63.200 -0.233 0.000 0.956 425 S HN 0.794 nan 8.310 nan 0.000 0.501 426 T N 4.618 119.062 114.554 -0.183 0.000 2.922 426 T HA 0.286 4.636 4.350 -0.000 0.000 0.285 426 T C 0.018 174.646 174.700 -0.121 0.000 1.005 426 T CA -0.691 61.316 62.100 -0.156 0.000 1.061 426 T CB 1.124 69.842 68.868 -0.251 0.000 1.007 426 T HN 0.475 nan 8.240 nan 0.000 0.502 427 V N 2.702 122.553 119.914 -0.107 0.000 2.458 427 V HA 0.299 4.419 4.120 -0.000 0.000 0.287 427 V C 1.579 177.620 176.094 -0.089 0.000 1.009 427 V CA 0.883 63.124 62.300 -0.097 0.000 1.091 427 V CB -0.309 31.419 31.823 -0.158 0.000 0.960 427 V HN 1.251 nan 8.190 nan 0.000 0.476 428 G N 5.126 113.888 108.800 -0.064 0.000 2.225 428 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.267 428 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.267 428 G C 0.353 175.224 174.900 -0.048 0.000 1.024 428 G CA 0.246 45.315 45.100 -0.052 0.000 0.784 428 G HN 1.025 nan 8.290 nan 0.000 0.507 429 N N -1.652 117.017 118.700 -0.050 0.000 2.725 429 N HA -0.208 4.532 4.740 -0.000 0.000 0.251 429 N C 1.372 176.859 175.510 -0.038 0.000 1.031 429 N CA 1.639 54.669 53.050 -0.034 0.000 0.720 429 N CB -1.575 36.907 38.487 -0.009 0.000 0.930 429 N HN 1.357 nan 8.380 nan 0.000 0.543 430 S N -1.403 114.253 115.700 -0.073 0.000 2.593 430 S HA 0.041 4.511 4.470 -0.000 0.000 0.217 430 S C 0.740 175.298 174.600 -0.070 0.000 0.966 430 S CA 0.100 58.258 58.200 -0.071 0.000 0.914 430 S CB 0.247 63.387 63.200 -0.101 0.000 0.776 430 S HN 0.336 nan 8.310 nan 0.000 0.523 431 N N 1.925 120.554 118.700 -0.118 0.000 2.735 431 N HA -0.120 4.620 4.740 -0.000 0.000 0.248 431 N C -1.648 173.730 175.510 -0.220 0.000 1.083 431 N CA 0.782 53.760 53.050 -0.121 0.000 0.703 431 N CB -2.088 36.468 38.487 0.116 0.000 1.005 431 N HN 0.520 nan 8.380 nan 0.000 0.550 432 N N 0.784 119.270 118.700 -0.356 0.000 2.457 432 N HA 0.353 5.093 4.740 -0.000 0.000 0.250 432 N C -0.320 175.028 175.510 -0.271 0.000 0.982 432 N CA -0.078 52.878 53.050 -0.157 0.000 0.941 432 N CB 0.436 38.922 38.487 -0.003 0.000 1.120 432 N HN 0.190 nan 8.380 nan 0.000 0.505 433 Y N 0.643 121.036 120.300 0.155 0.000 2.650 433 Y HA 0.684 5.234 4.550 -0.000 0.000 0.331 433 Y C -0.263 175.723 175.900 0.143 0.000 1.082 433 Y CA -1.272 56.863 58.100 0.057 0.000 1.171 433 Y CB 1.450 39.922 38.460 0.020 0.000 1.326 433 Y HN 0.234 nan 8.280 nan 0.000 0.513 434 L N 1.246 122.594 121.223 0.208 0.000 2.516 434 L HA 0.438 4.778 4.340 -0.000 0.000 0.267 434 L C -1.879 175.062 176.870 0.118 0.000 0.957 434 L CA -0.396 54.587 54.840 0.238 0.000 0.860 434 L CB 1.404 43.665 42.059 0.336 0.000 1.265 434 L HN 0.780 nan 8.230 nan 0.000 0.403 435 H N 4.529 123.610 119.070 0.018 0.000 2.495 435 H HA 0.732 5.288 4.556 -0.000 0.000 0.348 435 H C -1.527 173.728 175.328 -0.122 0.000 1.113 435 H CA -0.504 55.518 56.048 -0.042 0.000 1.195 435 H CB 1.538 31.290 29.762 -0.017 0.000 1.521 435 H HN 0.658 nan 8.280 nan 0.000 0.509 436 L N 5.074 125.853 121.223 -0.739 0.000 2.337 436 L HA 0.306 4.646 4.340 -0.000 0.000 0.269 436 L C -0.336 176.131 176.870 -0.671 0.000 1.018 436 L CA -0.715 53.742 54.840 -0.638 0.000 0.876 436 L CB 1.128 42.872 42.059 -0.524 0.000 1.236 436 L HN 0.663 nan 8.230 nan 0.000 0.436 437 S N 2.285 117.732 115.700 -0.421 0.000 2.475 437 S HA 0.681 5.151 4.470 -0.000 0.000 0.281 437 S C -0.345 174.148 174.600 -0.178 0.000 1.198 437 S CA -0.705 57.379 58.200 -0.194 0.000 1.063 437 S CB 1.830 65.064 63.200 0.056 0.000 0.972 437 S HN 0.194 nan 8.310 nan 0.000 0.486 438 V N 3.973 123.790 119.914 -0.163 0.000 2.448 438 V HA 0.300 4.420 4.120 -0.000 0.000 0.295 438 V C -0.429 175.601 176.094 -0.107 0.000 1.025 438 V CA -0.938 61.277 62.300 -0.142 0.000 0.859 438 V CB 1.376 33.101 31.823 -0.164 0.000 0.988 438 V HN 0.849 nan 8.190 nan 0.000 0.431 439 L N 5.651 126.824 121.223 -0.084 0.000 2.574 439 L HA 0.178 4.518 4.340 -0.000 0.000 0.281 439 L C 1.082 177.906 176.870 -0.076 0.000 1.212 439 L CA 0.457 55.256 54.840 -0.069 0.000 1.082 439 L CB -0.922 41.105 42.059 -0.053 0.000 1.362 439 L HN 0.693 nan 8.230 nan 0.000 0.451 440 R N 1.095 121.541 120.500 -0.091 0.000 2.357 440 R HA 0.405 4.745 4.340 -0.000 0.000 0.330 440 R C -0.329 175.922 176.300 -0.081 0.000 1.102 440 R CA -0.017 56.021 56.100 -0.104 0.000 0.974 440 R CB -0.100 30.119 30.300 -0.135 0.000 1.002 440 R HN 0.532 nan 8.270 nan 0.000 0.463 441 T N -0.091 114.421 114.554 -0.071 0.000 2.901 441 T HA 0.264 4.614 4.350 -0.000 0.000 0.293 441 T C -0.349 174.318 174.700 -0.054 0.000 1.084 441 T CA -1.220 60.848 62.100 -0.054 0.000 1.008 441 T CB 1.397 70.240 68.868 -0.042 0.000 1.170 441 T HN 0.581 nan 8.240 nan 0.000 0.509 442 E N 1.532 121.708 120.200 -0.041 0.000 2.175 442 E HA 0.075 4.425 4.350 -0.000 0.000 0.247 442 E C -0.193 176.383 176.600 -0.040 0.000 1.259 442 E CA -0.033 56.344 56.400 -0.039 0.000 0.969 442 E CB -0.171 29.514 29.700 -0.025 0.000 1.051 442 E HN 0.376 nan 8.360 nan 0.000 0.448 443 L N 3.970 125.169 121.223 -0.040 0.000 2.453 443 L HA 0.130 4.470 4.340 -0.000 0.000 0.272 443 L C 0.662 177.505 176.870 -0.045 0.000 1.182 443 L CA 0.527 55.344 54.840 -0.039 0.000 0.858 443 L CB 0.226 42.282 42.059 -0.005 0.000 1.120 443 L HN 0.348 nan 8.230 nan 0.000 0.474 444 R N 3.401 123.866 120.500 -0.059 0.000 2.575 444 R HA 0.367 4.707 4.340 -0.000 0.000 0.293 444 R C -2.575 173.685 176.300 -0.068 0.000 0.983 444 R CA -2.122 53.946 56.100 -0.053 0.000 0.887 444 R CB 1.374 31.649 30.300 -0.040 0.000 1.184 444 R HN 0.294 nan 8.270 nan 0.000 0.445 445 P HA -0.050 nan 4.420 nan 0.000 0.255 445 P C 0.580 177.856 177.300 -0.040 0.000 1.173 445 P CA 1.152 64.224 63.100 -0.046 0.000 0.780 445 P CB 0.434 32.132 31.700 -0.005 0.000 0.758 446 G N 2.529 111.293 108.800 -0.060 0.000 2.705 446 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.193 446 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.193 446 G C 0.143 175.007 174.900 -0.059 0.000 1.015 446 G CA -0.439 44.635 45.100 -0.044 0.000 0.743 446 G HN 0.488 nan 8.290 nan 0.000 0.476 447 E N 0.295 120.447 120.200 -0.080 0.000 2.405 447 E HA 0.535 4.885 4.350 -0.000 0.000 0.253 447 E C -0.229 176.307 176.600 -0.107 0.000 1.257 447 E CA 0.301 56.653 56.400 -0.080 0.000 0.960 447 E CB 0.909 30.563 29.700 -0.076 0.000 1.077 447 E HN 0.089 nan 8.360 nan 0.000 0.512 448 T N 0.323 114.824 114.554 -0.089 0.000 2.863 448 T HA 0.447 4.797 4.350 -0.000 0.000 0.285 448 T C -1.584 173.064 174.700 -0.087 0.000 1.009 448 T CA -0.775 61.268 62.100 -0.095 0.000 0.989 448 T CB 0.820 69.653 68.868 -0.058 0.000 1.004 448 T HN 0.191 nan 8.240 nan 0.000 0.455 449 L N 4.603 125.769 121.223 -0.096 0.000 2.322 449 L HA 0.615 4.955 4.340 -0.000 0.000 0.281 449 L C -0.566 176.278 176.870 -0.044 0.000 1.014 449 L CA -0.448 54.353 54.840 -0.065 0.000 0.815 449 L CB 1.493 43.523 42.059 -0.049 0.000 1.247 449 L HN 0.581 nan 8.230 nan 0.000 0.421 450 N N 4.455 123.132 118.700 -0.038 0.000 2.602 450 N HA 0.187 4.927 4.740 -0.000 0.000 0.238 450 N C -0.959 174.524 175.510 -0.044 0.000 1.084 450 N CA -0.175 52.859 53.050 -0.028 0.000 0.952 450 N CB 1.089 39.562 38.487 -0.023 0.000 1.244 450 N HN 0.352 nan 8.380 nan 0.000 0.512 451 V N 2.894 122.784 119.914 -0.040 0.000 2.427 451 V HA 0.107 4.226 4.120 -0.000 0.000 0.268 451 V C 0.301 176.319 176.094 -0.126 0.000 1.046 451 V CA -0.612 61.614 62.300 -0.124 0.000 0.970 451 V CB 0.075 31.819 31.823 -0.131 0.000 1.001 451 V HN 0.413 nan 8.190 nan 0.000 0.476 452 N N 4.570 123.140 118.700 -0.217 0.000 2.455 452 N HA 0.463 5.203 4.740 -0.000 0.000 0.280 452 N C -0.877 174.434 175.510 -0.331 0.000 1.055 452 N CA -0.178 52.790 53.050 -0.137 0.000 0.961 452 N CB 0.995 39.437 38.487 -0.076 0.000 1.121 452 N HN 0.477 nan 8.380 nan 0.000 0.476 453 F N 1.842 121.703 119.950 -0.148 0.000 2.347 453 F HA 0.313 4.840 4.527 -0.000 0.000 0.366 453 F C -0.056 175.660 175.800 -0.140 0.000 1.107 453 F CA -0.953 56.892 58.000 -0.257 0.000 1.058 453 F CB 0.957 39.631 39.000 -0.543 0.000 1.236 453 F HN 0.170 nan 8.300 nan 0.000 0.456 454 L N 5.565 126.821 121.223 0.054 0.000 2.262 454 L HA 0.524 4.864 4.340 -0.000 0.000 0.288 454 L C -0.909 176.048 176.870 0.145 0.000 1.035 454 L CA -0.697 54.208 54.840 0.108 0.000 0.820 454 L CB 0.710 42.848 42.059 0.130 0.000 1.204 454 L HN 0.495 nan 8.230 nan 0.000 0.424 455 L N 5.205 126.515 121.223 0.146 0.000 2.399 455 L HA 0.650 4.989 4.340 -0.000 0.000 0.266 455 L C -0.517 176.436 176.870 0.138 0.000 1.114 455 L CA -0.064 54.867 54.840 0.152 0.000 0.804 455 L CB 1.034 43.150 42.059 0.095 0.000 1.146 455 L HN 0.733 nan 8.230 nan 0.000 0.451 456 R N 5.148 125.751 120.500 0.171 0.000 2.713 456 R HA 0.665 5.005 4.340 -0.000 0.000 0.282 456 R C -1.763 174.647 176.300 0.183 0.000 1.472 456 R CA -0.361 55.852 56.100 0.189 0.000 1.060 456 R CB 0.371 30.833 30.300 0.271 0.000 1.237 456 R HN 0.794 nan 8.270 nan 0.000 0.484 457 M N 0.147 119.819 119.600 0.119 0.000 2.694 457 M HA 0.444 4.924 4.480 -0.000 0.000 0.276 457 M C -1.463 174.887 176.300 0.083 0.000 1.167 457 M CA -1.123 54.237 55.300 0.101 0.000 0.849 457 M CB 1.534 34.183 32.600 0.083 0.000 1.705 457 M HN 0.250 nan 8.290 nan 0.000 0.504 458 D N 1.301 121.756 120.400 0.093 0.000 2.400 458 D HA 0.075 4.715 4.640 -0.000 0.000 0.238 458 D C 0.940 177.274 176.300 0.058 0.000 1.157 458 D CA -0.137 53.910 54.000 0.079 0.000 0.889 458 D CB 0.635 41.491 40.800 0.093 0.000 1.199 458 D HN 0.845 nan 8.370 nan 0.000 0.436 459 R N 0.925 121.438 120.500 0.022 0.000 2.237 459 R HA -0.032 4.308 4.340 -0.000 0.000 0.219 459 R C 1.611 177.878 176.300 -0.055 0.000 1.080 459 R CA 0.941 57.035 56.100 -0.009 0.000 0.995 459 R CB -0.552 29.740 30.300 -0.013 0.000 0.875 459 R HN 0.400 nan 8.270 nan 0.000 0.462 460 A N 1.183 123.950 122.820 -0.087 0.000 2.070 460 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 460 A C 1.011 178.263 177.584 -0.554 0.000 1.159 460 A CA 1.198 53.056 52.037 -0.297 0.000 0.656 460 A CB -0.428 18.382 19.000 -0.317 0.000 0.800 460 A HN 0.595 nan 8.150 nan 0.000 0.453 461 H N -2.140 116.916 119.070 -0.023 0.000 3.367 461 H HA 0.062 4.618 4.556 -0.000 0.000 0.257 461 H C 1.393 176.686 175.328 -0.057 0.000 1.201 461 H CA 0.700 56.727 56.048 -0.035 0.000 1.102 461 H CB 0.196 29.942 29.762 -0.028 0.000 1.656 461 H HN 0.779 nan 8.280 nan 0.000 0.662 462 E N 1.584 121.797 120.200 0.022 0.000 2.204 462 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 462 E C 1.985 178.549 176.600 -0.060 0.000 0.989 462 E CA 1.197 57.579 56.400 -0.031 0.000 0.824 462 E CB -0.065 29.621 29.700 -0.023 0.000 0.756 462 E HN 0.209 nan 8.360 nan 0.000 0.477 463 A N 0.453 123.246 122.820 -0.046 0.000 2.209 463 A HA 0.136 4.456 4.320 -0.000 0.000 0.212 463 A C 2.265 179.818 177.584 -0.051 0.000 1.158 463 A CA 1.476 53.485 52.037 -0.048 0.000 0.742 463 A CB -0.771 18.204 19.000 -0.041 0.000 0.790 463 A HN 0.368 nan 8.150 nan 0.000 0.472 464 K N -0.169 120.202 120.400 -0.049 0.000 2.243 464 K HA 0.278 4.598 4.320 -0.000 0.000 0.201 464 K C 0.673 177.200 176.600 -0.122 0.000 1.051 464 K CA 0.709 56.966 56.287 -0.051 0.000 0.970 464 K CB -0.405 32.090 32.500 -0.009 0.000 0.755 464 K HN 0.406 nan 8.250 nan 0.000 0.465 465 I N 2.226 122.682 120.570 -0.190 0.000 2.452 465 I HA 0.243 4.413 4.170 -0.000 0.000 0.287 465 I C 0.540 176.473 176.117 -0.306 0.000 1.079 465 I CA -0.013 61.078 61.300 -0.349 0.000 1.387 465 I CB 1.332 39.030 38.000 -0.504 0.000 1.404 465 I HN 0.241 nan 8.210 nan 0.000 0.522 466 R N 5.737 126.041 120.500 -0.327 0.000 2.544 466 R HA 0.189 4.529 4.340 -0.000 0.000 0.303 466 R C -0.821 175.456 176.300 -0.038 0.000 0.939 466 R CA -0.006 56.025 56.100 -0.115 0.000 1.102 466 R CB 0.508 30.847 30.300 0.065 0.000 1.440 466 R HN 0.706 nan 8.270 nan 0.000 0.532 467 Y N -2.529 117.589 120.300 -0.304 0.000 2.604 467 Y HA 0.593 5.143 4.550 -0.000 0.000 0.331 467 Y C -1.556 174.105 175.900 -0.398 0.000 1.158 467 Y CA -1.928 56.015 58.100 -0.261 0.000 1.056 467 Y CB 0.446 38.853 38.460 -0.089 0.000 1.330 467 Y HN -0.197 nan 8.280 nan 0.000 0.457 468 Y N 0.528 120.869 120.300 0.068 0.000 2.409 468 Y HA 0.634 5.184 4.550 -0.000 0.000 0.339 468 Y C -0.125 175.855 175.900 0.132 0.000 1.033 468 Y CA -1.077 57.044 58.100 0.035 0.000 1.094 468 Y CB 2.564 40.977 38.460 -0.078 0.000 1.210 468 Y HN 0.681 nan 8.280 nan 0.000 0.456 469 T N 4.077 118.719 114.554 0.146 0.000 2.853 469 T HA 0.288 4.638 4.350 -0.000 0.000 0.317 469 T C -1.024 173.825 174.700 0.249 0.000 1.059 469 T CA -0.575 61.569 62.100 0.073 0.000 0.954 469 T CB -0.797 67.981 68.868 -0.151 0.000 0.994 469 T HN 0.448 nan 8.240 nan 0.000 0.479 470 Y N 2.426 122.895 120.300 0.283 0.000 2.387 470 Y HA 0.856 5.406 4.550 -0.000 0.000 0.330 470 Y C -1.248 174.835 175.900 0.305 0.000 1.133 470 Y CA -1.796 56.502 58.100 0.330 0.000 1.152 470 Y CB 0.664 39.346 38.460 0.369 0.000 1.215 470 Y HN 0.264 nan 8.280 nan 0.000 0.466 471 L N 4.313 125.790 121.223 0.422 0.000 2.388 471 L HA 0.500 4.840 4.340 -0.000 0.000 0.264 471 L C -0.921 176.163 176.870 0.357 0.000 0.998 471 L CA -0.820 54.212 54.840 0.320 0.000 0.817 471 L CB 2.102 44.346 42.059 0.309 0.000 1.338 471 L HN 0.610 nan 8.230 nan 0.000 0.414 472 I N 2.991 123.740 120.570 0.299 0.000 2.378 472 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 472 I C -0.418 175.826 176.117 0.211 0.000 0.992 472 I CA -0.471 61.008 61.300 0.299 0.000 1.154 472 I CB 1.693 39.844 38.000 0.252 0.000 1.315 472 I HN 0.462 nan 8.210 nan 0.000 0.448 473 M N 5.945 125.685 119.600 0.234 0.000 2.300 473 M HA 0.370 4.850 4.480 -0.000 0.000 0.348 473 M C -0.290 176.120 176.300 0.182 0.000 1.151 473 M CA -0.205 55.197 55.300 0.171 0.000 1.046 473 M CB 1.186 33.871 32.600 0.142 0.000 1.647 473 M HN 0.546 nan 8.290 nan 0.000 0.451 474 N N 2.242 121.015 118.700 0.122 0.000 2.578 474 N HA 0.141 4.881 4.740 -0.000 0.000 0.282 474 N C -0.741 174.839 175.510 0.116 0.000 1.119 474 N CA -0.150 52.973 53.050 0.123 0.000 0.948 474 N CB 1.209 39.719 38.487 0.039 0.000 1.546 474 N HN 0.669 nan 8.380 nan 0.000 0.525 475 K N 2.057 122.546 120.400 0.149 0.000 3.193 475 K HA -0.233 4.087 4.320 -0.000 0.000 0.294 475 K C 0.631 177.321 176.600 0.150 0.000 1.185 475 K CA 1.108 57.503 56.287 0.181 0.000 0.866 475 K CB -1.339 31.296 32.500 0.225 0.000 1.227 475 K HN 0.999 nan 8.250 nan 0.000 0.467 476 G N 0.467 109.326 108.800 0.098 0.000 2.144 476 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 476 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 476 G C -0.156 174.760 174.900 0.027 0.000 0.988 476 G CA 0.344 45.479 45.100 0.058 0.000 0.659 476 G HN 0.577 nan 8.290 nan 0.000 0.522 477 R N -0.733 119.791 120.500 0.039 0.000 2.837 477 R HA 0.787 5.127 4.340 -0.000 0.000 0.271 477 R C -0.472 175.851 176.300 0.037 0.000 0.993 477 R CA -1.282 54.828 56.100 0.016 0.000 0.931 477 R CB 1.094 31.390 30.300 -0.006 0.000 1.206 477 R HN 0.110 nan 8.270 nan 0.000 0.474 478 L N 3.493 124.737 121.223 0.035 0.000 2.407 478 L HA 0.100 4.440 4.340 -0.000 0.000 0.282 478 L C 1.108 177.994 176.870 0.027 0.000 1.110 478 L CA -0.412 54.462 54.840 0.057 0.000 0.863 478 L CB 0.976 43.080 42.059 0.075 0.000 1.207 478 L HN 0.679 nan 8.230 nan 0.000 0.454 479 L N 3.892 125.123 121.223 0.014 0.000 2.044 479 L HA 0.097 4.437 4.340 -0.000 0.000 0.205 479 L C 0.709 177.566 176.870 -0.021 0.000 1.075 479 L CA 1.694 56.503 54.840 -0.052 0.000 0.747 479 L CB -0.108 41.844 42.059 -0.180 0.000 0.903 479 L HN 0.595 nan 8.230 nan 0.000 0.435 480 K N -1.388 119.034 120.400 0.037 0.000 2.575 480 K HA 0.632 4.951 4.320 -0.000 0.000 0.279 480 K C -2.084 174.578 176.600 0.104 0.000 0.969 480 K CA -0.306 56.026 56.287 0.075 0.000 0.868 480 K CB 1.827 34.390 32.500 0.105 0.000 1.457 480 K HN 0.014 nan 8.250 nan 0.000 0.426 481 A N 1.313 124.150 122.820 0.028 0.000 2.488 481 A HA 0.757 5.077 4.320 -0.000 0.000 0.295 481 A C -0.907 176.509 177.584 -0.280 0.000 1.045 481 A CA -0.050 51.916 52.037 -0.119 0.000 0.703 481 A CB 1.717 20.713 19.000 -0.006 0.000 1.271 481 A HN 0.840 nan 8.150 nan 0.000 0.400 482 G N 1.037 109.347 108.800 -0.817 0.000 3.058 482 G HA2 0.735 4.694 3.960 -0.000 0.000 0.282 482 G HA3 0.735 4.694 3.960 -0.000 0.000 0.282 482 G C -1.401 173.202 174.900 -0.494 0.000 1.248 482 G CA -0.666 44.111 45.100 -0.538 0.000 0.822 482 G HN 0.614 nan 8.290 nan 0.000 0.579 483 R N -0.092 120.389 120.500 -0.032 0.000 2.686 483 R HA 0.515 4.855 4.340 -0.000 0.000 0.283 483 R C -1.426 175.048 176.300 0.289 0.000 0.978 483 R CA -0.833 55.348 56.100 0.136 0.000 0.897 483 R CB 1.989 32.311 30.300 0.037 0.000 1.192 483 R HN 0.527 nan 8.270 nan 0.000 0.457 484 Q N 2.209 122.168 119.800 0.265 0.000 2.394 484 Q HA 0.263 4.603 4.340 -0.000 0.000 0.259 484 Q C -0.392 175.670 176.000 0.104 0.000 1.021 484 Q CA -0.665 55.200 55.803 0.103 0.000 0.805 484 Q CB 1.263 29.859 28.738 -0.236 0.000 1.226 484 Q HN 0.510 nan 8.270 nan 0.000 0.476 485 V N 2.065 122.028 119.914 0.082 0.000 2.999 485 V HA 0.487 4.607 4.120 -0.000 0.000 0.307 485 V C -0.154 175.974 176.094 0.057 0.000 1.084 485 V CA -0.389 61.955 62.300 0.073 0.000 1.155 485 V CB 0.911 32.765 31.823 0.052 0.000 0.975 485 V HN 0.864 nan 8.190 nan 0.000 0.490 486 R N 1.902 122.420 120.500 0.030 0.000 2.515 486 R HA 0.491 4.830 4.340 -0.000 0.000 0.278 486 R C -1.281 175.016 176.300 -0.006 0.000 1.107 486 R CA -0.561 55.549 56.100 0.017 0.000 0.945 486 R CB 2.033 32.320 30.300 -0.021 0.000 1.219 486 R HN 0.911 nan 8.270 nan 0.000 0.434 487 E N 3.911 124.116 120.200 0.008 0.000 2.242 487 E HA 0.355 4.705 4.350 -0.000 0.000 0.275 487 E C -2.461 174.134 176.600 -0.009 0.000 1.002 487 E CA -2.121 54.279 56.400 0.001 0.000 0.841 487 E CB 1.227 30.933 29.700 0.009 0.000 1.109 487 E HN 0.345 nan 8.360 nan 0.000 0.394 488 P HA 0.069 nan 4.420 nan 0.000 0.260 488 P C 0.345 177.639 177.300 -0.010 0.000 1.185 488 P CA 1.011 64.099 63.100 -0.021 0.000 0.763 488 P CB 0.450 32.137 31.700 -0.020 0.000 0.776 489 G N 2.240 111.035 108.800 -0.008 0.000 2.184 489 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.206 489 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.206 489 G C -0.099 174.808 174.900 0.013 0.000 0.995 489 G CA -0.516 44.585 45.100 0.002 0.000 0.651 489 G HN 0.551 nan 8.290 nan 0.000 0.511 490 Q N 0.417 120.228 119.800 0.018 0.000 2.340 490 Q HA 0.462 4.802 4.340 -0.000 0.000 0.259 490 Q C -0.151 175.882 176.000 0.055 0.000 0.964 490 Q CA -0.690 55.135 55.803 0.037 0.000 0.900 490 Q CB 1.304 30.068 28.738 0.044 0.000 1.228 490 Q HN 0.149 nan 8.270 nan 0.000 0.449 491 D N 1.261 121.695 120.400 0.056 0.000 2.366 491 D HA 0.062 4.702 4.640 -0.000 0.000 0.205 491 D C -0.441 175.912 176.300 0.088 0.000 1.022 491 D CA 0.480 54.523 54.000 0.070 0.000 0.868 491 D CB 0.644 41.476 40.800 0.054 0.000 0.953 491 D HN 0.211 nan 8.370 nan 0.000 0.514 492 L N 1.342 122.613 121.223 0.080 0.000 2.446 492 L HA 0.362 4.702 4.340 -0.000 0.000 0.268 492 L C -1.119 175.806 176.870 0.092 0.000 0.975 492 L CA -1.055 53.837 54.840 0.085 0.000 0.848 492 L CB 1.759 43.854 42.059 0.060 0.000 1.225 492 L HN -0.175 nan 8.230 nan 0.000 0.410 493 V N 3.069 123.059 119.914 0.126 0.000 2.656 493 V HA 0.803 4.923 4.120 -0.000 0.000 0.307 493 V C -0.590 175.606 176.094 0.169 0.000 1.051 493 V CA -0.772 61.596 62.300 0.114 0.000 0.893 493 V CB 1.706 33.581 31.823 0.087 0.000 0.999 493 V HN 0.399 nan 8.190 nan 0.000 0.426 494 V N 5.084 125.067 119.914 0.116 0.000 2.472 494 V HA 0.507 4.627 4.120 -0.000 0.000 0.290 494 V C -0.220 175.943 176.094 0.114 0.000 1.037 494 V CA -0.447 61.925 62.300 0.121 0.000 0.908 494 V CB 1.471 33.330 31.823 0.059 0.000 0.985 494 V HN 0.871 nan 8.190 nan 0.000 0.454 495 L N 8.128 129.442 121.223 0.151 0.000 2.295 495 L HA 0.606 4.946 4.340 -0.000 0.000 0.281 495 L C -2.508 174.379 176.870 0.029 0.000 1.018 495 L CA -1.993 52.901 54.840 0.090 0.000 0.841 495 L CB 1.457 43.614 42.059 0.164 0.000 1.218 495 L HN 0.378 nan 8.230 nan 0.000 0.424 496 P HA 0.090 nan 4.420 nan 0.000 0.264 496 P C -0.918 176.378 177.300 -0.006 0.000 1.537 496 P CA -0.070 63.031 63.100 0.003 0.000 1.189 496 P CB 0.036 31.743 31.700 0.012 0.000 1.687 497 L N 3.198 124.404 121.223 -0.029 0.000 2.259 497 L HA 0.287 4.627 4.340 -0.000 0.000 0.288 497 L C -0.020 176.787 176.870 -0.106 0.000 1.051 497 L CA 0.010 54.826 54.840 -0.039 0.000 0.824 497 L CB 0.178 42.216 42.059 -0.036 0.000 1.206 497 L HN 0.033 nan 8.230 nan 0.000 0.429 498 S N 6.060 121.718 115.700 -0.069 0.000 2.531 498 S HA 0.428 4.898 4.470 -0.000 0.000 0.279 498 S C 0.054 174.490 174.600 -0.273 0.000 1.305 498 S CA -0.413 57.719 58.200 -0.114 0.000 1.058 498 S CB 0.418 63.602 63.200 -0.026 0.000 0.899 498 S HN 0.389 nan 8.310 nan 0.000 0.493 499 I N 4.274 124.594 120.570 -0.418 0.000 2.315 499 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 499 I C 1.229 177.199 176.117 -0.245 0.000 1.006 499 I CA -0.232 60.599 61.300 -0.781 0.000 1.265 499 I CB 0.406 37.968 38.000 -0.731 0.000 1.387 499 I HN 0.692 nan 8.210 nan 0.000 0.475 500 T N 1.181 115.802 114.554 0.112 0.000 2.898 500 T HA 0.273 4.623 4.350 -0.000 0.000 0.283 500 T C 1.162 175.986 174.700 0.206 0.000 1.059 500 T CA 0.002 62.220 62.100 0.197 0.000 0.958 500 T CB 0.863 69.869 68.868 0.229 0.000 1.594 500 T HN 0.613 nan 8.240 nan 0.000 0.598 501 T N -2.304 112.332 114.554 0.136 0.000 3.169 501 T HA 0.142 4.492 4.350 -0.000 0.000 0.250 501 T C 0.509 175.272 174.700 0.106 0.000 1.111 501 T CA 0.097 62.259 62.100 0.103 0.000 1.010 501 T CB -0.407 68.508 68.868 0.079 0.000 0.984 501 T HN 0.469 nan 8.240 nan 0.000 0.537 502 D N 0.736 121.199 120.400 0.104 0.000 2.277 502 D HA 0.174 4.814 4.640 -0.000 0.000 0.209 502 D C 1.306 177.581 176.300 -0.041 0.000 0.970 502 D CA 0.236 54.233 54.000 -0.006 0.000 0.874 502 D CB -0.389 40.332 40.800 -0.131 0.000 0.982 502 D HN 0.458 nan 8.370 nan 0.000 0.504 503 F N 1.339 121.248 119.950 -0.068 0.000 2.307 503 F HA -0.026 4.501 4.527 -0.000 0.000 0.301 503 F C 1.240 177.056 175.800 0.028 0.000 1.076 503 F CA 0.251 58.204 58.000 -0.079 0.000 1.383 503 F CB -0.408 38.382 39.000 -0.350 0.000 1.055 503 F HN -0.153 nan 8.300 nan 0.000 0.526 504 I N 2.028 122.661 120.570 0.105 0.000 2.683 504 I HA -0.075 4.095 4.170 -0.000 0.000 0.286 504 I C -1.427 174.606 176.117 -0.141 0.000 1.175 504 I CA -1.267 59.962 61.300 -0.119 0.000 1.429 504 I CB 0.417 38.237 38.000 -0.301 0.000 1.371 504 I HN -0.121 nan 8.210 nan 0.000 0.569 505 P HA -0.004 nan 4.420 nan 0.000 0.212 505 P C -0.175 177.163 177.300 0.063 0.000 1.171 505 P CA 0.504 63.458 63.100 -0.244 0.000 0.892 505 P CB 0.226 31.803 31.700 -0.204 0.000 0.769 506 S N -0.006 115.819 115.700 0.207 0.000 2.503 506 S HA 0.711 5.181 4.470 -0.000 0.000 0.301 506 S C -0.696 174.168 174.600 0.439 0.000 1.087 506 S CA -0.771 57.649 58.200 0.367 0.000 1.042 506 S CB 0.806 64.374 63.200 0.613 0.000 1.043 506 S HN 0.120 nan 8.310 nan 0.000 0.489 507 F N -0.208 119.929 119.950 0.313 0.000 2.565 507 F HA 0.777 5.304 4.527 -0.000 0.000 0.313 507 F C -0.377 175.613 175.800 0.317 0.000 1.091 507 F CA -1.209 56.962 58.000 0.285 0.000 0.915 507 F CB 1.391 40.606 39.000 0.359 0.000 1.208 507 F HN 0.572 nan 8.300 nan 0.000 0.453 508 R N 2.593 123.224 120.500 0.219 0.000 2.691 508 R HA 0.704 5.044 4.340 -0.000 0.000 0.259 508 R C -1.588 174.835 176.300 0.204 0.000 1.048 508 R CA -1.255 54.914 56.100 0.115 0.000 1.086 508 R CB 1.787 32.150 30.300 0.105 0.000 1.166 508 R HN 0.777 nan 8.270 nan 0.000 0.526 509 L N 2.663 123.962 121.223 0.126 0.000 2.555 509 L HA 0.297 4.637 4.340 -0.000 0.000 0.264 509 L C -1.158 175.782 176.870 0.116 0.000 0.972 509 L CA -0.628 54.324 54.840 0.188 0.000 0.876 509 L CB 1.626 43.787 42.059 0.170 0.000 1.216 509 L HN 0.488 nan 8.230 nan 0.000 0.415 510 V N 2.425 122.437 119.914 0.164 0.000 2.472 510 V HA 0.995 5.115 4.120 -0.000 0.000 0.290 510 V C -0.013 176.223 176.094 0.237 0.000 1.037 510 V CA -0.254 62.100 62.300 0.090 0.000 0.908 510 V CB 1.293 33.099 31.823 -0.028 0.000 0.985 510 V HN 0.912 nan 8.190 nan 0.000 0.454 511 A N 4.976 127.921 122.820 0.207 0.000 2.422 511 A HA 0.944 5.264 4.320 -0.000 0.000 0.302 511 A C -1.087 176.728 177.584 0.386 0.000 1.041 511 A CA -0.631 51.642 52.037 0.392 0.000 0.708 511 A CB 1.570 20.858 19.000 0.480 0.000 1.257 511 A HN 1.996 nan 8.150 nan 0.000 0.414 512 Y N -0.037 120.461 120.300 0.330 0.000 2.597 512 Y HA 0.807 5.357 4.550 -0.000 0.000 0.340 512 Y C -1.341 174.732 175.900 0.289 0.000 1.097 512 Y CA -1.571 56.648 58.100 0.198 0.000 1.037 512 Y CB 1.090 39.636 38.460 0.143 0.000 1.305 512 Y HN 0.994 nan 8.280 nan 0.000 0.463 513 Y N -0.672 119.718 120.300 0.149 0.000 2.524 513 Y HA 0.806 5.355 4.550 -0.000 0.000 0.347 513 Y C -1.038 174.829 175.900 -0.054 0.000 1.005 513 Y CA -1.263 56.759 58.100 -0.130 0.000 1.025 513 Y CB 1.878 40.201 38.460 -0.228 0.000 1.275 513 Y HN 0.903 nan 8.280 nan 0.000 0.460 514 T N 4.787 119.313 114.554 -0.048 0.000 2.886 514 T HA 0.795 5.145 4.350 -0.000 0.000 0.292 514 T C -1.230 173.389 174.700 -0.134 0.000 1.012 514 T CA -0.532 61.497 62.100 -0.118 0.000 0.982 514 T CB 0.725 69.454 68.868 -0.231 0.000 1.018 514 T HN 1.104 nan 8.240 nan 0.000 0.451 515 L N 1.477 122.646 121.223 -0.091 0.000 2.801 515 L HA 0.849 5.189 4.340 -0.000 0.000 0.264 515 L C -2.035 174.786 176.870 -0.083 0.000 1.086 515 L CA -1.434 53.359 54.840 -0.079 0.000 0.920 515 L CB 1.507 43.539 42.059 -0.046 0.000 1.529 515 L HN 0.474 nan 8.230 nan 0.000 0.399 516 I N 0.828 121.362 120.570 -0.061 0.000 2.378 516 I HA 0.939 5.109 4.170 -0.000 0.000 0.291 516 I C 0.501 176.573 176.117 -0.075 0.000 0.992 516 I CA 0.239 61.499 61.300 -0.066 0.000 1.154 516 I CB 1.332 39.309 38.000 -0.039 0.000 1.315 516 I HN 0.917 nan 8.210 nan 0.000 0.448 517 G N 2.654 111.352 108.800 -0.170 0.000 2.561 517 G HA2 0.659 4.619 3.960 -0.000 0.000 0.310 517 G HA3 0.659 4.619 3.960 -0.000 0.000 0.310 517 G C -0.058 174.666 174.900 -0.294 0.000 1.292 517 G CA 0.324 45.196 45.100 -0.380 0.000 0.811 517 G HN 1.012 nan 8.290 nan 0.000 0.482 518 A N -0.846 121.752 122.820 -0.370 0.000 1.315 518 A HA -0.135 4.185 4.320 -0.000 0.000 0.333 518 A C 1.427 178.984 177.584 -0.045 0.000 1.730 518 A CA 2.867 54.817 52.037 -0.146 0.000 1.091 518 A CB -1.728 17.189 19.000 -0.139 0.000 1.471 518 A HN 2.460 nan 8.150 nan 0.000 0.722 519 S N -1.033 114.637 115.700 -0.050 0.000 2.630 519 S HA 0.515 4.985 4.470 -0.000 0.000 0.173 519 S C 0.910 175.495 174.600 -0.025 0.000 1.048 519 S CA 1.234 59.421 58.200 -0.020 0.000 1.172 519 S CB -0.339 62.851 63.200 -0.018 0.000 1.638 519 S HN 2.659 nan 8.310 nan 0.000 0.429 520 G N 2.163 110.948 108.800 -0.025 0.000 2.203 520 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.263 520 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.263 520 G C -0.138 174.738 174.900 -0.041 0.000 1.012 520 G CA 0.905 45.989 45.100 -0.026 0.000 0.749 520 G HN 0.731 nan 8.290 nan 0.000 0.512 521 Q N -0.693 119.071 119.800 -0.060 0.000 2.271 521 Q HA 0.593 4.933 4.340 -0.000 0.000 0.258 521 Q C 0.506 176.450 176.000 -0.093 0.000 0.936 521 Q CA -1.176 54.585 55.803 -0.070 0.000 0.909 521 Q CB 0.827 29.522 28.738 -0.072 0.000 1.253 521 Q HN 0.269 nan 8.270 nan 0.000 0.440 522 R N 2.709 123.154 120.500 -0.092 0.000 2.442 522 R HA 0.102 4.442 4.340 -0.000 0.000 0.291 522 R C -1.105 175.097 176.300 -0.164 0.000 1.069 522 R CA 0.427 56.458 56.100 -0.115 0.000 1.022 522 R CB 0.641 30.882 30.300 -0.098 0.000 0.976 522 R HN 0.727 nan 8.270 nan 0.000 0.443 523 E N 2.905 122.992 120.200 -0.189 0.000 2.293 523 E HA 0.470 4.820 4.350 -0.000 0.000 0.270 523 E C -1.593 174.825 176.600 -0.302 0.000 0.879 523 E CA -0.980 55.269 56.400 -0.252 0.000 0.756 523 E CB 1.761 31.346 29.700 -0.193 0.000 1.208 523 E HN 0.362 nan 8.360 nan 0.000 0.428 524 V N 3.931 123.561 119.914 -0.473 0.000 2.531 524 V HA 0.423 4.542 4.120 -0.000 0.000 0.301 524 V C -0.711 175.143 176.094 -0.401 0.000 1.034 524 V CA -0.762 61.256 62.300 -0.470 0.000 0.865 524 V CB 1.777 33.206 31.823 -0.656 0.000 0.995 524 V HN 0.512 nan 8.190 nan 0.000 0.424 525 V N 3.703 123.367 119.914 -0.418 0.000 2.540 525 V HA 0.945 5.065 4.120 -0.000 0.000 0.302 525 V C 0.169 176.097 176.094 -0.277 0.000 1.035 525 V CA -0.259 61.832 62.300 -0.348 0.000 0.873 525 V CB 1.650 33.135 31.823 -0.563 0.000 0.992 525 V HN 1.062 nan 8.190 nan 0.000 0.428 526 A N 3.332 126.122 122.820 -0.051 0.000 2.485 526 A HA 0.958 5.278 4.320 -0.000 0.000 0.292 526 A C -1.566 175.952 177.584 -0.109 0.000 1.147 526 A CA -0.503 51.516 52.037 -0.029 0.000 0.750 526 A CB 2.156 21.102 19.000 -0.090 0.000 1.331 526 A HN 0.744 nan 8.150 nan 0.000 0.419 527 D N -0.573 119.771 120.400 -0.093 0.000 2.937 527 D HA 0.511 5.151 4.640 -0.000 0.000 0.215 527 D C -0.750 175.490 176.300 -0.101 0.000 1.274 527 D CA 0.262 54.196 54.000 -0.110 0.000 0.869 527 D CB 1.832 42.557 40.800 -0.125 0.000 1.675 527 D HN 0.761 nan 8.370 nan 0.000 0.538 528 S N 1.237 116.887 115.700 -0.084 0.000 2.621 528 S HA 0.882 5.352 4.470 -0.000 0.000 0.302 528 S C -0.883 173.691 174.600 -0.043 0.000 1.093 528 S CA -0.755 57.408 58.200 -0.060 0.000 1.017 528 S CB 2.037 65.207 63.200 -0.051 0.000 1.077 528 S HN 0.587 nan 8.310 nan 0.000 0.517 529 V N 1.712 121.608 119.914 -0.031 0.000 2.851 529 V HA 0.680 4.800 4.120 -0.000 0.000 0.307 529 V C -2.316 173.791 176.094 0.022 0.000 1.129 529 V CA -0.581 61.697 62.300 -0.037 0.000 0.932 529 V CB 1.935 33.672 31.823 -0.143 0.000 1.024 529 V HN 1.070 nan 8.190 nan 0.000 0.426 530 W N 7.328 128.527 121.300 -0.169 0.000 2.361 530 W HA 0.775 5.435 4.660 -0.000 0.000 0.314 530 W C -1.509 174.851 176.519 -0.265 0.000 1.041 530 W CA -0.937 56.286 57.345 -0.204 0.000 1.241 530 W CB 1.412 30.802 29.460 -0.117 0.000 1.279 530 W HN 0.483 nan 8.180 nan 0.000 0.436 531 V N 6.287 125.884 119.914 -0.528 0.000 2.628 531 V HA 0.255 4.375 4.120 -0.000 0.000 0.306 531 V C -0.596 175.150 176.094 -0.580 0.000 1.045 531 V CA -0.712 61.190 62.300 -0.664 0.000 0.905 531 V CB 1.759 33.197 31.823 -0.641 0.000 0.997 531 V HN 0.446 nan 8.190 nan 0.000 0.436 532 D N 2.687 122.795 120.400 -0.487 0.000 2.233 532 D HA 0.517 5.157 4.640 -0.000 0.000 0.240 532 D C -0.594 175.657 176.300 -0.082 0.000 1.074 532 D CA -0.017 53.830 54.000 -0.255 0.000 0.838 532 D CB 1.829 42.431 40.800 -0.329 0.000 1.124 532 D HN 0.255 nan 8.370 nan 0.000 0.475 533 V N 3.237 123.169 119.914 0.031 0.000 2.713 533 V HA 0.284 4.404 4.120 -0.000 0.000 0.307 533 V C 0.311 176.374 176.094 -0.052 0.000 1.052 533 V CA -1.090 61.229 62.300 0.032 0.000 0.967 533 V CB 1.569 33.461 31.823 0.116 0.000 1.019 533 V HN 0.505 nan 8.190 nan 0.000 0.459 534 K N 2.492 122.855 120.400 -0.061 0.000 2.504 534 K HA -0.060 4.260 4.320 -0.000 0.000 0.278 534 K C -0.441 176.069 176.600 -0.149 0.000 1.025 534 K CA 0.501 56.740 56.287 -0.080 0.000 1.093 534 K CB -0.265 32.201 32.500 -0.057 0.000 0.873 534 K HN 0.591 nan 8.250 nan 0.000 0.483 535 D N 2.865 123.170 120.400 -0.160 0.000 2.352 535 D HA 0.175 4.815 4.640 -0.000 0.000 0.245 535 D C -0.513 175.696 176.300 -0.151 0.000 1.224 535 D CA 0.232 54.060 54.000 -0.287 0.000 0.879 535 D CB 0.346 41.036 40.800 -0.183 0.000 1.057 535 D HN 0.600 nan 8.370 nan 0.000 0.491 536 S N 0.343 115.942 115.700 -0.168 0.000 2.688 536 S HA 0.434 4.903 4.470 -0.000 0.000 0.275 536 S C -0.385 174.362 174.600 0.245 0.000 1.175 536 S CA -0.947 57.295 58.200 0.071 0.000 0.818 536 S CB 0.581 63.795 63.200 0.024 0.000 1.157 536 S HN 0.384 nan 8.310 nan 0.000 0.482 537 C N 1.899 121.346 119.300 0.246 0.000 2.642 537 C HA 0.218 4.678 4.460 -0.000 0.000 0.420 537 C C 2.421 177.544 174.990 0.222 0.000 1.349 537 C CA -0.349 58.827 59.018 0.264 0.000 1.821 537 C CB -0.363 27.449 27.740 0.119 0.000 2.637 537 C HN 0.674 nan 8.230 nan 0.000 0.605 538 V N 3.653 123.738 119.914 0.285 0.000 2.380 538 V HA -0.100 4.020 4.120 -0.000 0.000 0.251 538 V C 1.825 177.988 176.094 0.114 0.000 1.063 538 V CA 2.521 64.941 62.300 0.201 0.000 1.055 538 V CB -1.254 30.697 31.823 0.214 0.000 0.657 538 V HN 1.130 nan 8.190 nan 0.000 0.455 539 G N -0.993 107.862 108.800 0.092 0.000 2.930 539 G HA2 0.519 4.479 3.960 -0.000 0.000 0.209 539 G HA3 0.519 4.479 3.960 -0.000 0.000 0.209 539 G C -0.176 174.756 174.900 0.052 0.000 2.018 539 G CA 0.659 45.796 45.100 0.063 0.000 0.751 539 G HN 0.815 nan 8.290 nan 0.000 0.770 540 S N -1.511 114.213 115.700 0.039 0.000 2.604 540 S HA 0.514 4.984 4.470 -0.000 0.000 0.296 540 S C -1.935 172.677 174.600 0.020 0.000 1.097 540 S CA -0.600 57.619 58.200 0.031 0.000 0.883 540 S CB 1.529 64.746 63.200 0.029 0.000 1.081 540 S HN 1.200 nan 8.310 nan 0.000 0.448 541 L N 2.483 123.713 121.223 0.012 0.000 2.541 541 L HA 0.802 5.142 4.340 -0.000 0.000 0.266 541 L C -1.710 175.162 176.870 0.004 0.000 0.966 541 L CA -0.226 54.616 54.840 0.004 0.000 0.871 541 L CB 1.717 43.770 42.059 -0.010 0.000 1.232 541 L HN 0.797 nan 8.230 nan 0.000 0.408 542 V N 5.003 124.921 119.914 0.008 0.000 2.680 542 V HA 0.701 4.821 4.120 -0.000 0.000 0.309 542 V C -0.738 175.361 176.094 0.008 0.000 1.052 542 V CA -0.759 61.545 62.300 0.007 0.000 0.908 542 V CB 2.210 34.039 31.823 0.009 0.000 1.001 542 V HN 0.407 nan 8.190 nan 0.000 0.431 543 V N 5.090 125.009 119.914 0.007 0.000 2.419 543 V HA 0.494 4.613 4.120 -0.000 0.000 0.287 543 V C -0.116 175.985 176.094 0.010 0.000 1.017 543 V CA -0.687 61.618 62.300 0.010 0.000 0.844 543 V CB 1.309 33.139 31.823 0.011 0.000 1.011 543 V HN 1.038 nan 8.190 nan 0.000 0.429 544 K N 1.827 122.234 120.400 0.011 0.000 2.331 544 K HA 0.782 5.102 4.320 -0.000 0.000 0.238 544 K C -0.167 176.441 176.600 0.013 0.000 1.058 544 K CA -0.724 55.569 56.287 0.011 0.000 0.871 544 K CB 1.834 34.340 32.500 0.010 0.000 1.292 544 K HN 0.350 nan 8.250 nan 0.000 0.470 545 S N -0.698 115.010 115.700 0.013 0.000 2.528 545 S HA 0.197 4.667 4.470 -0.000 0.000 0.277 545 S C 1.140 175.747 174.600 0.012 0.000 1.297 545 S CA -0.090 58.118 58.200 0.013 0.000 1.052 545 S CB 0.318 63.526 63.200 0.014 0.000 0.917 545 S HN 0.724 nan 8.310 nan 0.000 0.492 546 G N 3.367 112.174 108.800 0.012 0.000 2.418 546 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 546 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 546 G C 0.305 175.211 174.900 0.010 0.000 1.158 546 G CA 0.411 45.518 45.100 0.011 0.000 0.771 546 G HN 0.706 nan 8.290 nan 0.000 0.545 547 Q N 1.136 120.942 119.800 0.010 0.000 2.276 547 Q HA 0.287 4.627 4.340 -0.000 0.000 0.267 547 Q C 1.052 177.057 176.000 0.008 0.000 1.135 547 Q CA 0.153 55.961 55.803 0.009 0.000 0.910 547 Q CB 0.861 29.605 28.738 0.009 0.000 1.271 547 Q HN 0.358 nan 8.270 nan 0.000 0.417 548 S N 1.716 117.421 115.700 0.008 0.000 2.942 548 S HA 0.134 4.604 4.470 -0.000 0.000 0.244 548 S C 0.227 174.831 174.600 0.007 0.000 1.011 548 S CA -0.227 57.978 58.200 0.007 0.000 1.102 548 S CB 0.002 63.206 63.200 0.007 0.000 0.812 548 S HN 0.663 nan 8.310 nan 0.000 0.486 549 E N -0.346 119.858 120.200 0.007 0.000 2.402 549 E HA 0.297 4.647 4.350 -0.000 0.000 0.270 549 E C -1.607 174.997 176.600 0.007 0.000 1.131 549 E CA -0.566 55.838 56.400 0.007 0.000 0.884 549 E CB 0.660 30.364 29.700 0.005 0.000 1.564 549 E HN 0.156 nan 8.360 nan 0.000 0.456 550 D N -0.914 119.490 120.400 0.006 0.000 4.808 550 D HA -0.126 4.514 4.640 -0.000 0.000 0.304 550 D C -0.322 175.982 176.300 0.008 0.000 2.360 550 D CA 1.144 55.148 54.000 0.006 0.000 1.222 550 D CB -0.311 40.493 40.800 0.006 0.000 1.085 550 D HN 0.460 nan 8.370 nan 0.000 1.266 551 R N -0.463 120.041 120.500 0.008 0.000 3.006 551 R HA 0.541 4.881 4.340 -0.000 0.000 0.150 551 R C -0.240 176.067 176.300 0.012 0.000 1.285 551 R CA -0.469 55.637 56.100 0.010 0.000 0.813 551 R CB -0.132 30.173 30.300 0.008 0.000 1.582 551 R HN 0.382 nan 8.270 nan 0.000 0.441 552 Q N 1.275 121.082 119.800 0.012 0.000 2.261 552 Q HA 0.347 4.687 4.340 -0.000 0.000 0.252 552 Q C -1.943 174.061 176.000 0.006 0.000 0.915 552 Q CA -1.629 54.182 55.803 0.013 0.000 0.915 552 Q CB 0.507 29.255 28.738 0.017 0.000 1.204 552 Q HN 0.257 nan 8.270 nan 0.000 0.421 553 P HA 0.187 nan 4.420 nan 0.000 0.293 553 P C -1.082 176.215 177.300 -0.004 0.000 1.298 553 P CA -0.486 62.617 63.100 0.003 0.000 0.757 553 P CB 0.553 32.258 31.700 0.008 0.000 1.262 554 V N -0.015 119.896 119.914 -0.006 0.000 2.709 554 V HA 0.305 4.425 4.120 -0.000 0.000 0.308 554 V C -2.452 173.636 176.094 -0.010 0.000 1.062 554 V CA -1.824 60.468 62.300 -0.014 0.000 0.901 554 V CB 1.574 33.388 31.823 -0.016 0.000 1.003 554 V HN 0.490 nan 8.190 nan 0.000 0.425 555 P HA 0.149 nan 4.420 nan 0.000 0.255 555 P C 0.934 178.230 177.300 -0.006 0.000 1.161 555 P CA 1.837 64.932 63.100 -0.008 0.000 0.768 555 P CB 0.099 31.791 31.700 -0.014 0.000 0.746 556 G N 1.854 110.653 108.800 -0.002 0.000 2.213 556 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.226 556 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.226 556 G C 0.215 175.115 174.900 -0.001 0.000 0.992 556 G CA -0.123 44.975 45.100 -0.002 0.000 0.632 556 G HN 0.667 nan 8.290 nan 0.000 0.511 557 Q N 0.878 120.678 119.800 -0.001 0.000 2.340 557 Q HA 0.532 4.872 4.340 -0.000 0.000 0.249 557 Q C 0.342 176.344 176.000 0.003 0.000 0.957 557 Q CA -0.238 55.565 55.803 0.000 0.000 0.882 557 Q CB 0.398 29.136 28.738 -0.000 0.000 1.235 557 Q HN 0.576 nan 8.270 nan 0.000 0.439 558 Q N 2.388 122.190 119.800 0.003 0.000 2.260 558 Q HA 0.482 4.822 4.340 -0.000 0.000 0.238 558 Q C -0.616 175.388 176.000 0.007 0.000 0.948 558 Q CA -0.170 55.636 55.803 0.005 0.000 0.895 558 Q CB 1.356 30.097 28.738 0.004 0.000 1.218 558 Q HN 0.653 nan 8.270 nan 0.000 0.470 559 M N -1.755 117.850 119.600 0.009 0.000 2.322 559 M HA 0.426 4.906 4.480 -0.000 0.000 0.285 559 M C -1.230 175.077 176.300 0.011 0.000 1.119 559 M CA -0.812 54.493 55.300 0.010 0.000 0.953 559 M CB 1.977 34.584 32.600 0.012 0.000 1.701 559 M HN 0.257 nan 8.290 nan 0.000 0.479 560 T N 3.354 117.914 114.554 0.010 0.000 2.916 560 T HA 0.449 4.799 4.350 -0.000 0.000 0.303 560 T C -0.728 173.979 174.700 0.012 0.000 1.025 560 T CA -0.145 61.961 62.100 0.011 0.000 1.142 560 T CB 0.652 69.526 68.868 0.010 0.000 0.947 560 T HN 0.561 nan 8.240 nan 0.000 0.544 561 L N 3.943 125.174 121.223 0.013 0.000 2.401 561 L HA 0.411 4.751 4.340 -0.000 0.000 0.263 561 L C -0.046 176.833 176.870 0.014 0.000 1.004 561 L CA -0.496 54.353 54.840 0.014 0.000 0.881 561 L CB 0.909 42.978 42.059 0.016 0.000 1.219 561 L HN 0.493 nan 8.230 nan 0.000 0.441 562 K N 5.061 125.469 120.400 0.014 0.000 2.350 562 K HA 0.422 4.742 4.320 -0.000 0.000 0.279 562 K C -1.027 175.581 176.600 0.014 0.000 1.027 562 K CA -0.111 56.185 56.287 0.014 0.000 0.969 562 K CB 0.508 33.016 32.500 0.013 0.000 0.954 562 K HN 0.674 nan 8.250 nan 0.000 0.474 563 I N 4.455 125.034 120.570 0.015 0.000 2.468 563 I HA 0.143 4.313 4.170 -0.000 0.000 0.284 563 I C -0.750 175.378 176.117 0.018 0.000 1.038 563 I CA -0.522 60.788 61.300 0.015 0.000 1.083 563 I CB 1.844 39.853 38.000 0.015 0.000 1.223 563 I HN 0.594 nan 8.210 nan 0.000 0.443 564 E N 5.372 125.582 120.200 0.017 0.000 2.035 564 E HA 0.531 4.881 4.350 -0.000 0.000 0.271 564 E C 0.083 176.695 176.600 0.020 0.000 0.953 564 E CA -0.356 56.056 56.400 0.020 0.000 0.777 564 E CB 1.865 31.575 29.700 0.018 0.000 1.104 564 E HN 0.775 nan 8.360 nan 0.000 0.408 565 G N 2.281 111.096 108.800 0.026 0.000 3.105 565 G HA2 0.245 4.205 3.960 -0.000 0.000 0.277 565 G HA3 0.245 4.205 3.960 -0.000 0.000 0.277 565 G C -0.814 174.110 174.900 0.039 0.000 1.375 565 G CA -0.683 44.432 45.100 0.025 0.000 0.962 565 G HN 0.274 nan 8.290 nan 0.000 0.541 566 D N -0.167 120.256 120.400 0.038 0.000 2.339 566 D HA 0.259 4.899 4.640 -0.000 0.000 0.245 566 D C 0.077 176.422 176.300 0.075 0.000 1.115 566 D CA 0.183 54.219 54.000 0.059 0.000 0.917 566 D CB 1.187 42.016 40.800 0.048 0.000 1.192 566 D HN 0.396 nan 8.370 nan 0.000 0.428 567 H N -0.424 118.654 119.070 0.014 0.000 2.848 567 H HA 0.327 4.883 4.556 -0.000 0.000 0.341 567 H C 1.381 176.718 175.328 0.015 0.000 1.060 567 H CA 1.210 57.267 56.048 0.014 0.000 1.444 567 H CB 0.457 30.227 29.762 0.013 0.000 1.446 567 H HN 0.577 nan 8.280 nan 0.000 0.583 568 G N 2.308 110.714 108.800 -0.657 0.000 2.179 568 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 568 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 568 G C 0.338 175.131 174.900 -0.178 0.000 0.977 568 G CA 0.299 45.124 45.100 -0.457 0.000 0.641 568 G HN 0.993 nan 8.290 nan 0.000 0.533 569 A N -0.014 122.739 122.820 -0.111 0.000 2.327 569 A HA 0.761 5.081 4.320 -0.000 0.000 0.283 569 A C 0.585 178.148 177.584 -0.034 0.000 1.127 569 A CA 0.330 52.338 52.037 -0.047 0.000 0.810 569 A CB 0.503 19.491 19.000 -0.020 0.000 1.066 569 A HN 0.810 nan 8.150 nan 0.000 0.492 570 R N 1.996 122.488 120.500 -0.013 0.000 2.312 570 R HA 0.558 4.898 4.340 -0.000 0.000 0.311 570 R C -1.634 174.678 176.300 0.019 0.000 1.004 570 R CA -0.279 55.823 56.100 0.003 0.000 0.902 570 R CB 0.934 31.242 30.300 0.014 0.000 1.073 570 R HN 0.441 nan 8.270 nan 0.000 0.457 571 V N 6.017 125.943 119.914 0.020 0.000 2.448 571 V HA 0.288 4.408 4.120 -0.000 0.000 0.295 571 V C -0.215 175.905 176.094 0.043 0.000 1.025 571 V CA -0.819 61.498 62.300 0.027 0.000 0.859 571 V CB 1.589 33.421 31.823 0.015 0.000 0.988 571 V HN 0.652 nan 8.190 nan 0.000 0.431 572 V N 4.466 124.423 119.914 0.072 0.000 2.427 572 V HA 0.715 4.835 4.120 -0.000 0.000 0.286 572 V C -0.397 175.740 176.094 0.071 0.000 1.034 572 V CA -0.505 61.844 62.300 0.081 0.000 0.893 572 V CB 1.274 33.176 31.823 0.133 0.000 0.982 572 V HN 0.648 nan 8.190 nan 0.000 0.452 573 L N 4.597 125.852 121.223 0.053 0.000 2.304 573 L HA 0.941 5.281 4.340 -0.000 0.000 0.268 573 L C -0.461 176.441 176.870 0.053 0.000 1.010 573 L CA -1.104 53.765 54.840 0.049 0.000 0.813 573 L CB 2.118 44.198 42.059 0.035 0.000 1.315 573 L HN 0.664 nan 8.230 nan 0.000 0.445 574 V N 0.511 120.459 119.914 0.057 0.000 2.915 574 V HA 0.707 4.827 4.120 -0.000 0.000 0.282 574 V C -1.610 174.525 176.094 0.068 0.000 1.445 574 V CA -0.223 62.114 62.300 0.062 0.000 0.953 574 V CB 1.899 33.769 31.823 0.078 0.000 1.140 574 V HN 0.875 nan 8.190 nan 0.000 0.440 575 A N 5.934 128.790 122.820 0.060 0.000 2.331 575 A HA 0.949 5.269 4.320 -0.000 0.000 0.320 575 A C -1.162 176.462 177.584 0.066 0.000 1.138 575 A CA -0.537 51.540 52.037 0.067 0.000 0.790 575 A CB 1.873 20.904 19.000 0.052 0.000 1.206 575 A HN 1.397 nan 8.150 nan 0.000 0.470 576 V N 2.117 122.091 119.914 0.099 0.000 2.709 576 V HA 0.284 4.404 4.120 -0.000 0.000 0.308 576 V C -0.612 175.535 176.094 0.088 0.000 1.062 576 V CA -0.824 61.511 62.300 0.058 0.000 0.901 576 V CB 2.033 33.867 31.823 0.018 0.000 1.003 576 V HN 0.982 nan 8.190 nan 0.000 0.425 577 D N 2.911 123.320 120.400 0.015 0.000 2.450 577 D HA 0.079 4.719 4.640 -0.000 0.000 0.247 577 D C 1.149 177.485 176.300 0.061 0.000 1.162 577 D CA 0.327 54.353 54.000 0.043 0.000 0.879 577 D CB 1.117 41.926 40.800 0.015 0.000 1.163 577 D HN 0.512 nan 8.370 nan 0.000 0.472 578 K N 2.327 122.831 120.400 0.173 0.000 2.211 578 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 578 K C 1.871 178.570 176.600 0.165 0.000 1.047 578 K CA 1.031 57.497 56.287 0.298 0.000 0.935 578 K CB -0.062 32.559 32.500 0.201 0.000 0.728 578 K HN 0.585 nan 8.250 nan 0.000 0.452 579 G N 0.924 109.755 108.800 0.052 0.000 2.462 579 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 579 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 579 G C 1.475 176.311 174.900 -0.107 0.000 1.121 579 G CA 0.671 45.764 45.100 -0.012 0.000 0.758 579 G HN 0.116 nan 8.290 nan 0.000 0.559 580 V N 0.221 120.004 119.914 -0.218 0.000 2.427 580 V HA -0.074 4.046 4.120 -0.000 0.000 0.248 580 V C 2.332 178.173 176.094 -0.422 0.000 1.051 580 V CA 1.248 63.296 62.300 -0.419 0.000 1.048 580 V CB -0.621 30.837 31.823 -0.608 0.000 0.666 580 V HN 0.342 nan 8.190 nan 0.000 0.456 581 F N -0.297 119.593 119.950 -0.100 0.000 2.604 581 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 581 F C 2.083 177.828 175.800 -0.090 0.000 1.131 581 F CA 0.540 58.491 58.000 -0.082 0.000 1.457 581 F CB -0.892 38.079 39.000 -0.049 0.000 1.095 581 F HN -0.028 nan 8.300 nan 0.000 0.574 582 V N -0.576 119.350 119.914 0.020 0.000 2.667 582 V HA -0.209 3.911 4.120 -0.000 0.000 0.252 582 V C 1.973 178.014 176.094 -0.089 0.000 1.065 582 V CA 1.251 63.524 62.300 -0.045 0.000 1.083 582 V CB -0.440 31.321 31.823 -0.103 0.000 0.692 582 V HN 0.225 nan 8.190 nan 0.000 0.468 583 L N -0.379 120.759 121.223 -0.140 0.000 2.354 583 L HA 0.295 4.635 4.340 -0.000 0.000 0.212 583 L C 0.713 177.509 176.870 -0.123 0.000 1.091 583 L CA 0.948 55.686 54.840 -0.169 0.000 0.828 583 L CB -0.231 41.644 42.059 -0.306 0.000 0.973 583 L HN 0.406 nan 8.230 nan 0.000 0.461 584 N N -0.319 118.323 118.700 -0.096 0.000 2.648 584 N HA 0.114 4.854 4.740 -0.000 0.000 0.272 584 N C -0.313 175.244 175.510 0.079 0.000 1.118 584 N CA -0.156 52.878 53.050 -0.026 0.000 0.973 584 N CB 1.131 39.586 38.487 -0.055 0.000 1.565 584 N HN 0.165 nan 8.380 nan 0.000 0.542 585 K N 1.039 121.512 120.400 0.122 0.000 2.402 585 K HA 0.343 4.663 4.320 -0.000 0.000 0.204 585 K C -0.125 176.558 176.600 0.140 0.000 1.056 585 K CA -0.236 56.172 56.287 0.202 0.000 1.069 585 K CB 0.653 33.228 32.500 0.125 0.000 0.888 585 K HN 0.198 nan 8.250 nan 0.000 0.546 586 K N 1.372 121.838 120.400 0.109 0.000 2.090 586 K HA 0.227 4.547 4.320 -0.000 0.000 0.250 586 K C -0.415 176.259 176.600 0.123 0.000 1.004 586 K CA -0.409 55.936 56.287 0.096 0.000 0.919 586 K CB 0.430 32.974 32.500 0.074 0.000 1.045 586 K HN 0.186 nan 8.250 nan 0.000 0.471 587 N N 0.200 118.970 118.700 0.117 0.000 2.747 587 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 587 N C -0.825 174.780 175.510 0.158 0.000 1.107 587 N CA 0.510 53.644 53.050 0.139 0.000 0.707 587 N CB -0.738 37.844 38.487 0.158 0.000 1.054 587 N HN 0.420 nan 8.380 nan 0.000 0.555 588 K N 0.169 120.653 120.400 0.139 0.000 2.318 588 K HA 0.496 4.816 4.320 -0.000 0.000 0.243 588 K C -0.180 176.487 176.600 0.113 0.000 1.047 588 K CA -0.491 55.880 56.287 0.140 0.000 0.937 588 K CB 0.539 33.105 32.500 0.110 0.000 1.225 588 K HN -0.013 nan 8.250 nan 0.000 0.506 589 L N 0.792 122.068 121.223 0.089 0.000 2.342 589 L HA 0.327 4.667 4.340 -0.000 0.000 0.276 589 L C -1.256 175.604 176.870 -0.017 0.000 0.997 589 L CA 0.262 55.130 54.840 0.048 0.000 0.838 589 L CB 1.406 43.507 42.059 0.069 0.000 1.224 589 L HN 0.481 nan 8.230 nan 0.000 0.416 590 T N 2.720 117.248 114.554 -0.044 0.000 2.893 590 T HA 0.208 4.558 4.350 -0.000 0.000 0.291 590 T C 0.529 175.152 174.700 -0.128 0.000 1.028 590 T CA -0.246 61.816 62.100 -0.064 0.000 0.995 590 T CB 1.991 70.846 68.868 -0.021 0.000 1.051 590 T HN 0.547 nan 8.240 nan 0.000 0.470 591 Q N 1.605 121.326 119.800 -0.131 0.000 2.181 591 Q HA -0.098 4.242 4.340 -0.000 0.000 0.205 591 Q C 2.316 178.251 176.000 -0.108 0.000 0.980 591 Q CA 2.017 57.704 55.803 -0.194 0.000 0.862 591 Q CB -0.402 28.296 28.738 -0.067 0.000 0.905 591 Q HN 0.657 nan 8.270 nan 0.000 0.429 592 S N -0.677 115.047 115.700 0.040 0.000 2.383 592 S HA -0.097 4.373 4.470 -0.000 0.000 0.227 592 S C 1.567 176.222 174.600 0.092 0.000 1.026 592 S CA 1.150 59.437 58.200 0.145 0.000 0.981 592 S CB -0.078 63.190 63.200 0.113 0.000 0.818 592 S HN 0.432 nan 8.310 nan 0.000 0.472 593 K N 0.394 120.803 120.400 0.015 0.000 2.288 593 K HA 0.091 4.411 4.320 -0.000 0.000 0.201 593 K C 1.853 178.449 176.600 -0.006 0.000 1.048 593 K CA 1.041 57.346 56.287 0.029 0.000 0.956 593 K CB -0.164 32.357 32.500 0.036 0.000 0.746 593 K HN 0.457 nan 8.250 nan 0.000 0.461 594 I N -0.655 119.803 120.570 -0.186 0.000 2.233 594 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 594 I C 1.842 177.810 176.117 -0.248 0.000 1.093 594 I CA 1.361 62.446 61.300 -0.358 0.000 1.380 594 I CB -0.294 37.184 38.000 -0.871 0.000 1.067 594 I HN 0.270 nan 8.210 nan 0.000 0.413 595 W N 1.129 122.411 121.300 -0.030 0.000 2.374 595 W HA -0.213 4.447 4.660 -0.000 0.000 0.288 595 W C 2.218 178.753 176.519 0.027 0.000 1.218 595 W CA 0.588 57.934 57.345 0.001 0.000 1.245 595 W CB -0.393 29.076 29.460 0.016 0.000 1.126 595 W HN 0.173 nan 8.180 nan 0.000 0.545 596 D N 0.139 120.677 120.400 0.229 0.000 2.178 596 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 596 D C 1.947 178.326 176.300 0.130 0.000 0.980 596 D CA 1.218 55.318 54.000 0.166 0.000 0.842 596 D CB -0.073 40.806 40.800 0.132 0.000 0.948 596 D HN -0.023 nan 8.370 nan 0.000 0.472 597 V N -0.336 119.641 119.914 0.106 0.000 2.407 597 V HA -0.139 3.981 4.120 -0.000 0.000 0.245 597 V C 2.655 178.771 176.094 0.036 0.000 1.041 597 V CA 0.961 63.309 62.300 0.081 0.000 1.040 597 V CB -0.216 31.660 31.823 0.089 0.000 0.671 597 V HN 0.091 nan 8.190 nan 0.000 0.455 598 V N -0.129 119.782 119.914 -0.005 0.000 2.332 598 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 598 V C 2.639 178.822 176.094 0.148 0.000 1.055 598 V CA 2.025 64.338 62.300 0.022 0.000 1.038 598 V CB -0.560 31.346 31.823 0.139 0.000 0.651 598 V HN 0.532 nan 8.190 nan 0.000 0.450 599 E N 0.449 120.747 120.200 0.163 0.000 2.106 599 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 599 E C 2.254 178.906 176.600 0.086 0.000 0.984 599 E CA 1.088 57.567 56.400 0.132 0.000 0.806 599 E CB -0.063 29.724 29.700 0.145 0.000 0.750 599 E HN 0.570 nan 8.360 nan 0.000 0.458 600 K N -0.198 120.260 120.400 0.096 0.000 2.211 600 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 600 K C 1.575 178.232 176.600 0.096 0.000 1.050 600 K CA 0.888 57.223 56.287 0.080 0.000 0.945 600 K CB 0.066 32.618 32.500 0.087 0.000 0.732 600 K HN -0.022 nan 8.250 nan 0.000 0.451 601 A N 1.504 124.412 122.820 0.146 0.000 2.370 601 A HA -0.002 4.318 4.320 -0.000 0.000 0.238 601 A C -0.117 177.560 177.584 0.155 0.000 1.289 601 A CA -0.197 51.956 52.037 0.194 0.000 0.885 601 A CB -0.156 19.065 19.000 0.369 0.000 0.961 601 A HN 0.083 nan 8.150 nan 0.000 0.499 602 D N 0.362 120.816 120.400 0.091 0.000 2.345 602 D HA 0.210 4.850 4.640 -0.000 0.000 0.247 602 D C 1.389 177.699 176.300 0.016 0.000 1.108 602 D CA -0.261 53.766 54.000 0.045 0.000 0.894 602 D CB 0.646 41.431 40.800 -0.025 0.000 1.203 602 D HN 0.370 nan 8.370 nan 0.000 0.430 603 I N 0.095 120.672 120.570 0.013 0.000 3.419 603 I HA 0.331 4.501 4.170 -0.000 0.000 0.286 603 I C 1.008 177.117 176.117 -0.013 0.000 1.268 603 I CA -0.393 60.911 61.300 0.007 0.000 1.414 603 I CB -0.051 37.960 38.000 0.018 0.000 1.074 603 I HN 0.187 nan 8.210 nan 0.000 0.457 604 G N 0.620 109.388 108.800 -0.052 0.000 2.372 604 G HA2 0.394 4.354 3.960 -0.000 0.000 0.283 604 G HA3 0.394 4.354 3.960 -0.000 0.000 0.283 604 G C -0.226 174.602 174.900 -0.120 0.000 1.177 604 G CA -0.316 44.731 45.100 -0.088 0.000 0.842 604 G HN 0.465 nan 8.290 nan 0.000 0.503 605 c N 1.422 119.975 118.600 -0.079 0.000 2.969 605 c HA 0.498 5.068 4.570 -0.000 0.000 0.260 605 c C 0.478 174.547 174.090 -0.036 0.000 1.618 605 c CA -0.449 55.842 56.329 -0.062 0.000 1.774 605 c CB -1.282 41.218 42.510 -0.015 0.000 3.063 605 c HN 0.693 nan 8.230 nan 0.000 0.506 606 T N 1.191 115.710 114.554 -0.058 0.000 3.105 606 T HA 0.221 4.570 4.350 -0.000 0.000 0.321 606 T C -2.315 172.401 174.700 0.028 0.000 1.135 606 T CA -0.294 61.821 62.100 0.026 0.000 1.053 606 T CB 2.201 71.126 68.868 0.095 0.000 1.133 606 T HN -0.210 nan 8.240 nan 0.000 0.463 607 P HA 0.128 nan 4.420 nan 0.000 0.223 607 P C 0.621 178.095 177.300 0.290 0.000 1.144 607 P CA 1.079 64.398 63.100 0.366 0.000 0.783 607 P CB 0.069 31.995 31.700 0.377 0.000 0.771 608 G N -3.194 105.724 108.800 0.195 0.000 2.350 608 G HA2 0.364 4.324 3.960 -0.000 0.000 0.304 608 G HA3 0.364 4.324 3.960 -0.000 0.000 0.304 608 G C -0.744 174.265 174.900 0.182 0.000 1.421 608 G CA -0.023 45.167 45.100 0.150 0.000 0.934 608 G HN 0.085 nan 8.290 nan 0.000 0.632 609 S N -2.262 113.511 115.700 0.122 0.000 3.769 609 S HA 0.422 4.892 4.470 -0.000 0.000 0.656 609 S C 0.668 175.314 174.600 0.077 0.000 1.960 609 S CA 1.608 59.893 58.200 0.141 0.000 2.104 609 S CB -0.873 62.496 63.200 0.282 0.000 0.328 609 S HN 2.917 nan 8.310 nan 0.000 1.640 610 G N 0.250 108.978 108.800 -0.120 0.000 2.550 610 G HA2 0.530 4.489 3.960 -0.000 0.000 0.293 610 G HA3 0.530 4.489 3.960 -0.000 0.000 0.293 610 G C 0.078 174.315 174.900 -1.105 0.000 1.402 610 G CA 0.249 44.994 45.100 -0.592 0.000 0.784 610 G HN 0.975 nan 8.290 nan 0.000 0.482 611 K N -1.103 118.630 120.400 -1.110 0.000 2.057 611 K HA 0.088 4.407 4.320 -0.000 0.000 0.206 611 K C 0.421 176.690 176.600 -0.553 0.000 1.050 611 K CA 1.798 57.649 56.287 -0.727 0.000 0.935 611 K CB -0.148 32.150 32.500 -0.337 0.000 0.715 611 K HN 0.538 nan 8.250 nan 0.000 0.439 612 D N -1.027 119.085 120.400 -0.479 0.000 2.867 612 D HA -0.021 4.619 4.640 -0.000 0.000 0.308 612 D C 0.956 177.120 176.300 -0.226 0.000 1.202 612 D CA -0.761 52.935 54.000 -0.508 0.000 1.035 612 D CB -0.179 40.396 40.800 -0.375 0.000 1.427 612 D HN 0.098 nan 8.370 nan 0.000 0.570 613 Y N -1.172 119.045 120.300 -0.138 0.000 2.242 613 Y HA 0.242 4.792 4.550 -0.000 0.000 0.291 613 Y C 2.050 177.997 175.900 0.078 0.000 1.137 613 Y CA 1.269 59.382 58.100 0.021 0.000 1.181 613 Y CB -0.774 37.660 38.460 -0.045 0.000 0.989 613 Y HN 0.340 nan 8.280 nan 0.000 0.527 614 A N 0.919 123.225 122.820 -0.857 0.000 2.167 614 A HA 0.171 4.491 4.320 -0.000 0.000 0.214 614 A C 2.258 179.728 177.584 -0.189 0.000 1.151 614 A CA 1.019 52.738 52.037 -0.531 0.000 0.735 614 A CB -1.220 17.350 19.000 -0.716 0.000 0.802 614 A HN 0.636 nan 8.150 nan 0.000 0.467 615 G N -1.041 107.644 108.800 -0.192 0.000 2.545 615 G HA2 0.102 4.061 3.960 -0.000 0.000 0.212 615 G HA3 0.102 4.061 3.960 -0.000 0.000 0.212 615 G C 1.378 176.241 174.900 -0.062 0.000 1.144 615 G CA 0.879 45.900 45.100 -0.131 0.000 0.813 615 G HN 0.208 nan 8.290 nan 0.000 0.531 616 V N 0.732 120.618 119.914 -0.047 0.000 2.287 616 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 616 V C 2.484 178.523 176.094 -0.092 0.000 1.053 616 V CA 1.700 63.953 62.300 -0.078 0.000 1.027 616 V CB -0.614 31.133 31.823 -0.127 0.000 0.646 616 V HN 0.336 nan 8.190 nan 0.000 0.447 617 F N 0.542 120.488 119.950 -0.007 0.000 2.075 617 F HA -0.158 4.369 4.527 -0.000 0.000 0.297 617 F C 2.731 178.546 175.800 0.024 0.000 1.113 617 F CA 1.911 59.929 58.000 0.030 0.000 1.218 617 F CB -0.827 38.199 39.000 0.043 0.000 0.984 617 F HN 0.024 nan 8.300 nan 0.000 0.472 618 S N -0.490 115.324 115.700 0.190 0.000 2.382 618 S HA -0.181 4.289 4.470 -0.000 0.000 0.228 618 S C 1.284 175.921 174.600 0.063 0.000 1.027 618 S CA 1.487 59.747 58.200 0.101 0.000 0.991 618 S CB -0.396 62.834 63.200 0.049 0.000 0.823 618 S HN 0.313 nan 8.310 nan 0.000 0.469 619 D N 0.966 121.391 120.400 0.042 0.000 2.363 619 D HA 0.228 4.868 4.640 -0.000 0.000 0.226 619 D C 1.116 177.427 176.300 0.019 0.000 1.020 619 D CA 0.366 54.385 54.000 0.031 0.000 0.892 619 D CB 0.034 40.857 40.800 0.038 0.000 0.900 619 D HN 0.420 nan 8.370 nan 0.000 0.531 620 A N -0.719 122.119 122.820 0.030 0.000 2.508 620 A HA 0.534 4.854 4.320 -0.000 0.000 0.250 620 A C 1.329 178.939 177.584 0.045 0.000 1.208 620 A CA 0.356 52.406 52.037 0.021 0.000 0.960 620 A CB 0.346 19.356 19.000 0.017 0.000 1.099 620 A HN 0.097 nan 8.150 nan 0.000 0.542 621 G N -0.145 108.692 108.800 0.062 0.000 2.303 621 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.260 621 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.260 621 G C -0.386 174.583 174.900 0.115 0.000 1.106 621 G CA 0.378 45.520 45.100 0.069 0.000 0.900 621 G HN 0.597 nan 8.290 nan 0.000 0.495 622 L N -0.692 120.629 121.223 0.163 0.000 2.479 622 L HA 0.874 5.214 4.340 -0.000 0.000 0.255 622 L C 0.160 177.151 176.870 0.201 0.000 1.026 622 L CA -0.637 54.336 54.840 0.222 0.000 0.842 622 L CB 2.666 44.948 42.059 0.373 0.000 1.444 622 L HN 0.461 nan 8.230 nan 0.000 0.409 623 T N -1.529 113.111 114.554 0.143 0.000 2.879 623 T HA 0.567 4.916 4.350 -0.000 0.000 0.290 623 T C -1.089 173.585 174.700 -0.045 0.000 0.993 623 T CA -0.432 61.701 62.100 0.055 0.000 0.975 623 T CB 1.417 70.306 68.868 0.035 0.000 0.981 623 T HN 0.307 nan 8.240 nan 0.000 0.439 624 F N 2.498 122.252 119.950 -0.327 0.000 2.443 624 F HA 0.686 5.213 4.527 -0.000 0.000 0.335 624 F C -0.420 175.242 175.800 -0.229 0.000 1.104 624 F CA -0.077 57.640 58.000 -0.472 0.000 1.013 624 F CB 1.909 40.307 39.000 -1.003 0.000 1.136 624 F HN 0.767 nan 8.300 nan 0.000 0.470 625 T N 3.700 117.904 114.554 -0.583 0.000 3.237 625 T HA 0.429 4.779 4.350 -0.000 0.000 0.319 625 T C -1.058 173.428 174.700 -0.356 0.000 1.037 625 T CA -0.889 61.051 62.100 -0.266 0.000 1.048 625 T CB 1.310 70.100 68.868 -0.130 0.000 1.081 625 T HN 0.635 nan 8.240 nan 0.000 0.455 626 S N 0.701 116.328 115.700 -0.122 0.000 2.715 626 S HA 0.653 5.123 4.470 -0.000 0.000 0.307 626 S C 1.233 175.847 174.600 0.024 0.000 1.119 626 S CA -0.300 57.866 58.200 -0.057 0.000 0.937 626 S CB 1.634 64.885 63.200 0.085 0.000 1.150 626 S HN 0.680 nan 8.310 nan 0.000 0.521 627 S N 0.050 115.773 115.700 0.039 0.000 2.562 627 S HA 0.049 4.519 4.470 -0.000 0.000 0.221 627 S C 1.238 175.869 174.600 0.053 0.000 0.975 627 S CA 0.509 58.755 58.200 0.076 0.000 0.918 627 S CB -0.606 62.689 63.200 0.159 0.000 0.772 627 S HN 0.562 nan 8.310 nan 0.000 0.531 628 S N 0.611 116.333 115.700 0.036 0.000 2.458 628 S HA 0.463 4.933 4.470 -0.000 0.000 0.223 628 S C 1.636 176.255 174.600 0.031 0.000 1.019 628 S CA 0.586 58.800 58.200 0.022 0.000 0.937 628 S CB 0.166 63.367 63.200 0.002 0.000 0.788 628 S HN 0.920 nan 8.310 nan 0.000 0.511 629 G N 0.521 109.353 108.800 0.053 0.000 2.545 629 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.195 629 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.195 629 G C -0.267 174.689 174.900 0.094 0.000 1.009 629 G CA -0.756 44.378 45.100 0.057 0.000 0.703 629 G HN 0.359 nan 8.290 nan 0.000 0.479 630 Q N 2.103 121.980 119.800 0.128 0.000 2.257 630 Q HA 0.472 4.811 4.340 -0.000 0.000 0.273 630 Q C 0.568 176.762 176.000 0.322 0.000 1.153 630 Q CA 0.690 56.631 55.803 0.230 0.000 0.922 630 Q CB 0.382 29.198 28.738 0.129 0.000 1.242 630 Q HN 0.838 nan 8.270 nan 0.000 0.409 631 Q N 0.195 120.129 119.800 0.224 0.000 2.552 631 Q HA 0.756 5.095 4.340 -0.000 0.000 0.289 631 Q C -0.539 175.480 176.000 0.031 0.000 1.097 631 Q CA -1.074 54.820 55.803 0.153 0.000 0.812 631 Q CB 1.163 29.938 28.738 0.061 0.000 1.460 631 Q HN 0.462 nan 8.270 nan 0.000 0.452 632 T N -2.142 112.409 114.554 -0.005 0.000 2.862 632 T HA 0.709 5.059 4.350 -0.000 0.000 0.276 632 T C 0.265 174.925 174.700 -0.067 0.000 0.974 632 T CA -0.481 61.576 62.100 -0.073 0.000 0.966 632 T CB 0.915 69.772 68.868 -0.019 0.000 1.072 632 T HN 0.771 nan 8.240 nan 0.000 0.538 633 A N 1.162 123.937 122.820 -0.075 0.000 2.450 633 A HA 0.291 4.611 4.320 -0.000 0.000 0.255 633 A C 0.572 178.135 177.584 -0.035 0.000 1.096 633 A CA -0.546 51.455 52.037 -0.060 0.000 0.778 633 A CB -0.331 18.633 19.000 -0.061 0.000 1.031 633 A HN 0.881 nan 8.150 nan 0.000 0.494 634 Q N 2.087 121.861 119.800 -0.043 0.000 2.247 634 Q HA 0.079 4.419 4.340 -0.000 0.000 0.288 634 Q C 0.029 176.018 176.000 -0.018 0.000 1.079 634 Q CA 0.312 56.088 55.803 -0.046 0.000 0.932 634 Q CB 0.286 28.974 28.738 -0.082 0.000 1.133 634 Q HN 0.677 nan 8.270 nan 0.000 0.377 635 R N 3.315 123.825 120.500 0.015 0.000 2.338 635 R HA 0.509 4.849 4.340 -0.000 0.000 0.317 635 R C -0.827 175.552 176.300 0.132 0.000 0.968 635 R CA 0.283 56.416 56.100 0.055 0.000 0.849 635 R CB 1.030 31.365 30.300 0.059 0.000 1.128 635 R HN 0.701 nan 8.270 nan 0.000 0.448 636 A N 3.985 126.891 122.820 0.142 0.000 2.605 636 A HA 0.202 4.522 4.320 -0.000 0.000 0.292 636 A C -0.626 177.076 177.584 0.197 0.000 1.055 636 A CA -0.320 51.894 52.037 0.294 0.000 0.969 636 A CB 0.533 19.651 19.000 0.197 0.000 1.236 636 A HN 0.645 nan 8.150 nan 0.000 0.534 637 E N -0.129 120.134 120.200 0.104 0.000 2.224 637 E HA 0.626 4.976 4.350 -0.000 0.000 0.265 637 E C 0.659 177.275 176.600 0.027 0.000 0.878 637 E CA -0.546 55.888 56.400 0.057 0.000 0.759 637 E CB 1.130 30.857 29.700 0.045 0.000 1.164 637 E HN 0.205 nan 8.360 nan 0.000 0.414 638 L N 1.732 122.957 121.223 0.004 0.000 1.943 638 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 638 L C 0.786 177.659 176.870 0.005 0.000 1.074 638 L CA 1.143 55.977 54.840 -0.010 0.000 0.759 638 L CB -0.435 41.610 42.059 -0.023 0.000 0.888 638 L HN 0.549 nan 8.230 nan 0.000 0.433 639 Q N -0.780 119.025 119.800 0.008 0.000 2.474 639 Q HA 0.080 4.420 4.340 -0.000 0.000 0.256 639 Q C -0.036 175.973 176.000 0.015 0.000 1.048 639 Q CA -0.058 55.753 55.803 0.013 0.000 0.922 639 Q CB 0.508 29.253 28.738 0.012 0.000 1.288 639 Q HN 0.282 nan 8.270 nan 0.000 0.484 640 c N 2.191 120.799 118.600 0.014 0.000 2.705 640 c HA 0.206 4.775 4.570 -0.000 0.000 0.348 640 c C -1.754 172.347 174.090 0.018 0.000 1.386 640 c CA -0.924 55.412 56.329 0.013 0.000 2.361 640 c CB -0.905 41.607 42.510 0.003 0.000 2.486 640 c HN 0.694 nan 8.230 nan 0.000 0.728 641 P HA 0.074 nan 4.420 nan 0.000 0.262 641 P C -0.836 176.480 177.300 0.027 0.000 1.182 641 P CA 0.494 63.610 63.100 0.027 0.000 0.761 641 P CB 0.121 31.841 31.700 0.033 0.000 0.795 642 Q N 4.430 124.246 119.800 0.026 0.000 2.242 642 Q HA 0.016 4.355 4.340 -0.000 0.000 0.284 642 Q C -1.651 174.368 176.000 0.032 0.000 1.130 642 Q CA -1.163 54.656 55.803 0.026 0.000 0.940 642 Q CB -0.608 28.144 28.738 0.024 0.000 1.146 642 Q HN 0.333 nan 8.270 nan 0.000 0.388 643 P HA -0.112 nan 4.420 nan 0.000 0.225 643 P C -0.595 176.731 177.300 0.045 0.000 1.054 643 P CA 0.426 63.551 63.100 0.043 0.000 1.244 643 P CB -0.027 31.700 31.700 0.044 0.000 1.310 644 A N 3.635 126.482 122.820 0.044 0.000 3.019 644 A HA 0.527 4.846 4.320 -0.000 0.000 0.262 644 A C 1.045 178.657 177.584 0.048 0.000 1.509 644 A CA 0.279 52.341 52.037 0.042 0.000 1.159 644 A CB -1.240 17.781 19.000 0.036 0.000 1.042 644 A HN 0.638 nan 8.150 nan 0.000 0.641 645 A N 0.000 122.855 122.820 0.058 0.000 2.254 645 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 645 A CA 0.000 52.078 52.037 0.069 0.000 0.836 645 A CB 0.000 19.037 19.000 0.061 0.000 0.831 645 A HN 0.000 nan 8.150 nan 0.000 0.486