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_G 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 0.000 174.525 174.600 -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 63.168 63.200 -0.054 0.000 0.593 2 P HA 0.126 nan 4.420 nan 0.000 0.258 2 P C -0.530 176.408 177.300 -0.604 0.000 1.187 2 P CA 0.293 63.154 63.100 -0.398 0.000 0.767 2 P CB 0.173 31.645 31.700 -0.381 0.000 0.770 3 M N 5.038 124.336 119.600 -0.505 0.000 2.066 3 M HA 0.305 4.785 4.480 -0.000 0.000 0.340 3 M C -1.331 174.708 176.300 -0.435 0.000 1.053 3 M CA -0.747 54.344 55.300 -0.348 0.000 0.983 3 M CB 0.574 33.138 32.600 -0.061 0.000 1.520 3 M HN 0.209 nan 8.290 nan 0.000 0.428 4 Y N 3.119 123.269 120.300 -0.250 0.000 2.434 4 Y HA 0.397 4.947 4.550 -0.000 0.000 0.341 4 Y C 0.552 176.182 175.900 -0.450 0.000 0.965 4 Y CA -0.618 57.094 58.100 -0.646 0.000 1.205 4 Y CB 0.672 38.325 38.460 -1.345 0.000 1.121 4 Y HN 0.623 nan 8.280 nan 0.000 0.507 5 S N 2.900 118.504 115.700 -0.161 0.000 2.681 5 S HA 0.843 5.313 4.470 -0.000 0.000 0.299 5 S C -1.045 173.508 174.600 -0.078 0.000 1.113 5 S CA -0.682 57.409 58.200 -0.183 0.000 1.013 5 S CB 2.245 65.313 63.200 -0.221 0.000 1.076 5 S HN 0.500 nan 8.310 nan 0.000 0.534 6 I N 0.277 120.734 120.570 -0.190 0.000 2.692 6 I HA 0.613 4.783 4.170 -0.000 0.000 0.293 6 I C -1.890 174.142 176.117 -0.142 0.000 1.200 6 I CA -1.210 60.065 61.300 -0.041 0.000 1.036 6 I CB 1.748 39.789 38.000 0.068 0.000 1.258 6 I HN 0.869 nan 8.210 nan 0.000 0.421 7 I N 6.319 126.877 120.570 -0.019 0.000 2.499 7 I HA 0.567 4.737 4.170 -0.000 0.000 0.288 7 I C -0.692 175.474 176.117 0.082 0.000 1.048 7 I CA -0.438 60.871 61.300 0.016 0.000 1.062 7 I CB 2.201 40.266 38.000 0.108 0.000 1.238 7 I HN 0.680 nan 8.210 nan 0.000 0.426 8 T N 2.632 117.235 114.554 0.081 0.000 2.896 8 T HA 0.587 4.937 4.350 -0.000 0.000 0.297 8 T C -2.953 171.812 174.700 0.108 0.000 1.108 8 T CA -2.463 59.706 62.100 0.115 0.000 1.004 8 T CB 1.999 70.944 68.868 0.127 0.000 1.159 8 T HN 0.097 nan 8.240 nan 0.000 0.499 9 P HA 0.122 nan 4.420 nan 0.000 0.264 9 P C 0.641 177.985 177.300 0.072 0.000 1.179 9 P CA 0.142 63.290 63.100 0.080 0.000 0.763 9 P CB 0.283 32.010 31.700 0.045 0.000 0.806 10 N N 1.779 120.519 118.700 0.068 0.000 2.205 10 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 10 N C 0.031 175.568 175.510 0.045 0.000 1.015 10 N CA 0.650 53.736 53.050 0.060 0.000 0.862 10 N CB 0.004 38.526 38.487 0.057 0.000 0.986 10 N HN 0.352 nan 8.380 nan 0.000 0.429 11 I N 1.459 122.045 120.570 0.027 0.000 2.512 11 I HA 0.219 4.389 4.170 -0.000 0.000 0.287 11 I C -0.687 175.420 176.117 -0.015 0.000 1.069 11 I CA -0.621 60.680 61.300 0.002 0.000 1.056 11 I CB 2.116 40.106 38.000 -0.017 0.000 1.229 11 I HN -0.039 nan 8.210 nan 0.000 0.429 12 L N 5.825 127.046 121.223 -0.004 0.000 2.456 12 L HA 0.514 4.854 4.340 -0.000 0.000 0.257 12 L C 0.109 176.937 176.870 -0.070 0.000 1.162 12 L CA -0.580 54.256 54.840 -0.007 0.000 0.808 12 L CB 0.649 42.757 42.059 0.082 0.000 1.136 12 L HN 0.555 nan 8.230 nan 0.000 0.466 13 R N 0.733 121.168 120.500 -0.108 0.000 2.795 13 R HA 0.628 4.968 4.340 -0.000 0.000 0.275 13 R C -1.315 174.930 176.300 -0.093 0.000 0.981 13 R CA -0.891 55.118 56.100 -0.151 0.000 0.917 13 R CB 1.934 32.031 30.300 -0.339 0.000 1.202 13 R HN 0.401 nan 8.270 nan 0.000 0.469 14 L N 1.866 123.054 121.223 -0.059 0.000 2.375 14 L HA 0.264 4.604 4.340 -0.000 0.000 0.271 14 L C 0.304 177.153 176.870 -0.036 0.000 1.107 14 L CA -0.103 54.718 54.840 -0.031 0.000 0.806 14 L CB 0.821 42.868 42.059 -0.019 0.000 1.146 14 L HN 0.759 nan 8.230 nan 0.000 0.447 15 E N 0.535 120.715 120.200 -0.032 0.000 2.360 15 E HA -0.206 4.144 4.350 -0.000 0.000 0.238 15 E C -0.649 175.925 176.600 -0.044 0.000 1.186 15 E CA 0.603 56.980 56.400 -0.038 0.000 0.719 15 E CB -1.146 28.525 29.700 -0.049 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 -0.068 0.000 2.550 16 S HA 0.420 4.890 4.470 -0.000 0.000 0.270 16 S C -0.650 173.853 174.600 -0.161 0.000 1.145 16 S CA -1.173 56.976 58.200 -0.084 0.000 0.852 16 S CB 1.931 65.087 63.200 -0.073 0.000 1.119 16 S HN 0.157 nan 8.310 nan 0.000 0.465 17 E N 1.514 121.621 120.200 -0.156 0.000 2.129 17 E HA 0.236 4.586 4.350 -0.000 0.000 0.283 17 E C -0.601 175.817 176.600 -0.303 0.000 1.080 17 E CA -0.278 55.983 56.400 -0.232 0.000 0.867 17 E CB 0.558 30.175 29.700 -0.139 0.000 1.056 17 E HN 0.421 nan 8.360 nan 0.000 0.404 18 E N 2.487 122.349 120.200 -0.563 0.000 2.151 18 E HA 0.200 4.550 4.350 -0.000 0.000 0.275 18 E C -0.279 176.043 176.600 -0.463 0.000 0.936 18 E CA -0.422 55.674 56.400 -0.507 0.000 0.777 18 E CB 1.768 31.144 29.700 -0.541 0.000 1.108 18 E HN 0.317 nan 8.360 nan 0.000 0.401 19 T N 2.234 116.694 114.554 -0.157 0.000 2.813 19 T HA 0.397 4.747 4.350 -0.000 0.000 0.297 19 T C 0.530 175.300 174.700 0.117 0.000 1.036 19 T CA -0.249 61.841 62.100 -0.017 0.000 1.044 19 T CB 0.505 69.380 68.868 0.013 0.000 0.993 19 T HN 0.400 nan 8.240 nan 0.000 0.535 20 M N 1.990 121.687 119.600 0.160 0.000 2.215 20 M HA 0.358 4.838 4.480 -0.000 0.000 0.251 20 M C -1.819 174.556 176.300 0.125 0.000 0.987 20 M CA -0.588 54.824 55.300 0.186 0.000 1.025 20 M CB 1.050 33.807 32.600 0.261 0.000 2.064 20 M HN 0.316 nan 8.290 nan 0.000 0.473 21 V N 6.241 126.227 119.914 0.120 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 0.126 0.000 1.054 21 V CA -0.174 62.195 62.300 0.116 0.000 0.967 21 V CB 0.410 32.314 31.823 0.136 0.000 1.036 21 V HN 0.776 nan 8.190 nan 0.000 0.481 22 L N 5.199 126.499 121.223 0.128 0.000 2.399 22 L HA 0.621 4.961 4.340 -0.000 0.000 0.266 22 L C 0.327 177.307 176.870 0.183 0.000 1.114 22 L CA -0.067 54.890 54.840 0.195 0.000 0.804 22 L CB 1.015 43.181 42.059 0.178 0.000 1.146 22 L HN 0.616 nan 8.230 nan 0.000 0.451 23 E N 0.452 120.778 120.200 0.211 0.000 2.445 23 E HA 0.766 5.116 4.350 -0.000 0.000 0.279 23 E C -1.655 174.902 176.600 -0.071 0.000 1.018 23 E CA -0.973 55.446 56.400 0.030 0.000 0.816 23 E CB 2.488 32.164 29.700 -0.040 0.000 1.356 23 E HN 0.575 nan 8.360 nan 0.000 0.462 24 A N 2.041 124.715 122.820 -0.242 0.000 2.550 24 A HA 0.370 4.690 4.320 -0.000 0.000 0.282 24 A C -1.559 175.759 177.584 -0.443 0.000 1.071 24 A CA -0.688 51.185 52.037 -0.275 0.000 0.838 24 A CB 0.500 19.515 19.000 0.026 0.000 1.361 24 A HN 0.530 nan 8.150 nan 0.000 0.408 25 H N 1.514 120.460 119.070 -0.207 0.000 2.487 25 H HA 0.300 4.856 4.556 -0.000 0.000 0.333 25 H C -0.453 174.746 175.328 -0.215 0.000 1.114 25 H CA 0.340 56.320 56.048 -0.112 0.000 1.310 25 H CB 1.206 30.968 29.762 -0.000 0.000 1.462 25 H HN 0.765 nan 8.280 nan 0.000 0.516 26 D N -0.196 120.189 120.400 -0.025 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 -0.046 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 -0.329 0.000 2.303 27 A HA 0.596 4.916 4.320 -0.000 0.000 0.317 27 A C 0.352 177.796 177.584 -0.232 0.000 1.149 27 A CA -0.535 51.306 52.037 -0.327 0.000 0.822 27 A CB 1.269 20.011 19.000 -0.431 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 4.879 4.340 -0.000 0.000 0.260 28 Q C 0.758 176.829 176.000 0.120 0.000 0.974 28 Q CA 0.685 56.518 55.803 0.050 0.000 0.876 28 Q CB 1.637 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 3.568 112.458 108.800 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 -0.525 174.483 174.900 0.180 0.000 1.264 29 G CA -0.049 45.128 45.100 0.129 0.000 0.935 29 G HN 0.603 nan 8.290 nan 0.000 0.568 30 D N -0.890 119.577 120.400 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 54.609 54.000 0.106 0.000 1.008 30 D CB 1.728 42.560 40.800 0.053 0.000 1.101 30 D HN 1.127 nan 8.370 nan 0.000 0.516 31 V N 0.804 120.791 119.914 0.121 0.000 2.671 31 V HA 0.278 4.398 4.120 -0.000 0.000 0.292 31 V C -2.901 173.236 176.094 0.072 0.000 1.115 31 V CA -1.698 60.669 62.300 0.113 0.000 0.918 31 V CB 2.122 34.055 31.823 0.183 0.000 1.036 31 V HN 0.293 nan 8.190 nan 0.000 0.445 32 P HA 0.231 nan 4.420 nan 0.000 0.265 32 P C -0.730 176.538 177.300 -0.054 0.000 1.222 32 P CA 0.338 63.432 63.100 -0.011 0.000 0.767 32 P CB 0.809 32.498 31.700 -0.018 0.000 0.801 33 V N 4.216 124.080 119.914 -0.083 0.000 2.459 33 V HA 0.493 4.613 4.120 -0.000 0.000 0.295 33 V C 0.379 176.352 176.094 -0.202 0.000 1.029 33 V CA -0.370 61.805 62.300 -0.208 0.000 0.874 33 V CB 1.820 33.508 31.823 -0.225 0.000 0.985 33 V HN 0.582 nan 8.190 nan 0.000 0.438 34 T N 1.683 116.085 114.554 -0.253 0.000 2.833 34 T HA 0.673 5.023 4.350 -0.000 0.000 0.297 34 T C -0.736 173.829 174.700 -0.225 0.000 1.015 34 T CA -0.615 61.372 62.100 -0.189 0.000 0.963 34 T CB 1.180 69.968 68.868 -0.134 0.000 0.955 34 T HN 0.246 nan 8.240 nan 0.000 0.449 35 V N 4.243 124.037 119.914 -0.201 0.000 2.439 35 V HA 0.649 4.769 4.120 -0.000 0.000 0.282 35 V C 0.299 176.270 176.094 -0.205 0.000 1.039 35 V CA -0.287 61.883 62.300 -0.217 0.000 0.913 35 V CB 1.465 33.164 31.823 -0.206 0.000 0.983 35 V HN 1.137 nan 8.190 nan 0.000 0.460 36 T N 3.668 118.090 114.554 -0.221 0.000 2.909 36 T HA 0.654 5.004 4.350 -0.000 0.000 0.299 36 T C -0.871 173.629 174.700 -0.334 0.000 1.073 36 T CA -0.522 61.420 62.100 -0.263 0.000 0.999 36 T CB 2.014 70.769 68.868 -0.189 0.000 1.098 36 T HN 0.325 nan 8.240 nan 0.000 0.477 37 V N 2.671 122.317 119.914 -0.447 0.000 2.531 37 V HA 0.544 4.664 4.120 -0.000 0.000 0.301 37 V C -1.011 174.810 176.094 -0.454 0.000 1.034 37 V CA -0.852 61.227 62.300 -0.367 0.000 0.865 37 V CB 1.559 33.188 31.823 -0.324 0.000 0.995 37 V HN 0.928 nan 8.190 nan 0.000 0.424 38 H N 1.351 120.411 119.070 -0.017 0.000 2.731 38 H HA 0.555 5.111 4.556 -0.000 0.000 0.368 38 H C -0.615 174.751 175.328 0.063 0.000 1.168 38 H CA -0.910 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 -0.641 175.794 176.300 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 0.300 nan 8.370 nan 0.000 0.447 40 F N 0.154 120.158 119.950 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 -0.072 177.029 177.300 -0.333 0.000 1.308 41 P CA 0.145 62.728 63.100 -0.861 0.000 0.743 41 P CB 0.420 31.628 31.700 -0.820 0.000 1.364 42 G N -0.571 108.046 108.800 -0.305 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 -1.232 173.596 174.900 -0.120 0.000 1.341 42 G CA -0.501 44.498 45.100 -0.168 0.000 0.880 42 G HN 0.681 nan 8.290 nan 0.000 0.566 43 K N -0.190 120.157 120.400 -0.089 0.000 2.507 43 K HA 0.590 4.910 4.320 -0.000 0.000 0.252 43 K C 0.295 176.908 176.600 0.022 0.000 0.943 43 K CA -0.599 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 2.174 122.640 120.400 0.111 0.000 2.538 44 K HA 0.154 4.474 4.320 -0.000 0.000 0.215 44 K C -0.512 176.156 176.600 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 1.137 122.488 121.223 0.213 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 0.071 0.000 1.096 45 L CB -1.166 40.947 42.059 0.090 0.000 1.617 45 L HN 0.120 nan 8.230 nan 0.000 0.873 46 V N 1.006 120.890 119.914 -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 1.423 63.707 62.300 -0.026 0.000 1.083 46 V CB -0.047 31.774 31.823 -0.002 0.000 0.692 46 V HN 0.660 nan 8.190 nan 0.000 0.468 47 L N 0.365 121.518 121.223 -0.116 0.000 2.639 47 L HA 0.490 4.830 4.340 -0.000 0.000 0.264 47 L C 0.552 177.316 176.870 -0.176 0.000 0.948 47 L CA 0.522 55.300 54.840 -0.103 0.000 0.912 47 L CB 2.012 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 0.271 115.897 115.700 -0.123 0.000 2.505 48 S HA 0.124 4.594 4.470 -0.000 0.000 0.216 48 S C 0.864 175.410 174.600 -0.090 0.000 1.018 48 S CA 0.336 58.461 58.200 -0.125 0.000 0.911 48 S CB 0.121 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 1.631 117.294 115.700 -0.061 0.000 2.618 49 S HA 0.340 4.810 4.470 -0.000 0.000 0.254 49 S C -0.238 174.334 174.600 -0.045 0.000 1.284 49 S CA -0.255 57.920 58.200 -0.040 0.000 0.975 49 S CB -0.316 62.874 63.200 -0.017 0.000 1.022 49 S HN 0.364 nan 8.310 nan 0.000 0.571 50 E N 0.024 120.210 120.200 -0.023 0.000 3.375 50 E HA -0.129 4.221 4.350 -0.000 0.000 0.160 50 E C -0.899 175.673 176.600 -0.047 0.000 1.617 50 E CA 0.769 57.159 56.400 -0.017 0.000 0.787 50 E CB -1.775 27.932 29.700 0.012 0.000 1.087 50 E HN 0.838 nan 8.360 nan 0.000 0.375 51 K N -0.503 119.872 120.400 -0.043 0.000 2.378 51 K HA 0.791 5.111 4.320 -0.000 0.000 0.252 51 K C -0.284 176.291 176.600 -0.040 0.000 0.931 51 K CA -0.762 55.490 56.287 -0.059 0.000 0.794 51 K CB 2.937 35.400 32.500 -0.061 0.000 1.181 51 K HN 0.097 nan 8.250 nan 0.000 0.425 52 T N 0.804 115.331 114.554 -0.046 0.000 2.812 52 T HA 0.507 4.857 4.350 -0.000 0.000 0.294 52 T C -1.584 173.105 174.700 -0.017 0.000 1.159 52 T CA -0.678 61.409 62.100 -0.023 0.000 1.008 52 T CB 1.695 70.557 68.868 -0.010 0.000 1.289 52 T HN 0.375 nan 8.240 nan 0.000 0.514 53 V N 3.252 123.166 119.914 -0.000 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 1.614 33.443 31.823 0.010 0.000 0.992 53 V HN 0.727 nan 8.190 nan 0.000 0.428 54 L N 4.341 125.607 121.223 0.071 0.000 2.342 54 L HA 0.344 4.684 4.340 -0.000 0.000 0.285 54 L C 0.443 177.312 176.870 -0.001 0.000 1.095 54 L CA 0.094 54.980 54.840 0.076 0.000 0.843 54 L CB 0.278 42.459 42.059 0.203 0.000 1.201 54 L HN 0.613 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 -0.168 0.000 1.091 55 T CB 1.623 70.430 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 0.400 63.158 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 -0.814 121.889 122.820 -0.195 0.000 2.206 57 A HA -0.003 4.317 4.320 -0.000 0.000 0.211 57 A C 1.584 179.098 177.584 -0.117 0.000 1.158 57 A CA 1.524 53.489 52.037 -0.119 0.000 0.761 57 A CB -1.082 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 -4.580 109.876 114.554 -0.162 0.000 3.252 58 T HA 0.226 4.576 4.350 -0.000 0.000 0.286 58 T C 0.184 174.793 174.700 -0.150 0.000 1.013 58 T CA 0.041 62.066 62.100 -0.124 0.000 0.914 58 T CB -0.419 68.395 68.868 -0.091 0.000 1.131 58 T HN 0.275 nan 8.240 nan 0.000 0.529 59 N N 2.811 121.392 118.700 -0.199 0.000 2.708 59 N HA -0.207 4.533 4.740 -0.000 0.000 0.251 59 N C -0.273 175.184 175.510 -0.089 0.000 1.123 59 N CA 1.398 54.340 53.050 -0.181 0.000 0.739 59 N CB -2.124 36.223 38.487 -0.234 0.000 1.113 59 N HN 0.819 nan 8.380 nan 0.000 0.561 60 H N -3.210 115.798 119.070 -0.103 0.000 2.826 60 H HA -0.186 4.370 4.556 -0.000 0.000 0.306 60 H C -0.094 175.195 175.328 -0.066 0.000 1.235 60 H CA 1.271 57.278 56.048 -0.070 0.000 1.150 60 H CB -1.624 28.087 29.762 -0.085 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 0.007 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 0.034 0.000 1.053 61 M CA -0.129 55.182 55.300 0.020 0.000 0.973 61 M CB 2.161 34.754 32.600 -0.012 0.000 1.623 61 M HN 0.316 nan 8.290 nan 0.000 0.434 62 G N 1.540 110.381 108.800 0.068 0.000 2.521 62 G HA2 0.486 4.446 3.960 -0.000 0.000 0.323 62 G HA3 0.486 4.446 3.960 -0.000 0.000 0.323 62 G C -0.893 174.039 174.900 0.052 0.000 1.211 62 G CA -0.366 44.769 45.100 0.060 0.000 0.979 62 G HN 0.663 nan 8.290 nan 0.000 0.490 63 N N -0.532 118.194 118.700 0.043 0.000 2.699 63 N HA 0.245 4.985 4.740 -0.000 0.000 0.271 63 N C -1.168 174.370 175.510 0.046 0.000 1.216 63 N CA -0.369 52.708 53.050 0.046 0.000 0.844 63 N CB 1.652 40.159 38.487 0.033 0.000 1.462 63 N HN 0.565 nan 8.380 nan 0.000 0.555 64 V N 0.660 120.615 119.914 0.069 0.000 2.378 64 V HA 0.668 4.788 4.120 -0.000 0.000 0.288 64 V C 0.426 176.606 176.094 0.145 0.000 1.016 64 V CA -0.711 61.640 62.300 0.086 0.000 0.840 64 V CB 0.769 32.632 31.823 0.068 0.000 0.994 64 V HN 0.562 nan 8.190 nan 0.000 0.431 65 T N 3.496 118.107 114.554 0.095 0.000 2.733 65 T HA 0.746 5.096 4.350 -0.000 0.000 0.294 65 T C -0.510 174.244 174.700 0.090 0.000 0.956 65 T CA -0.388 61.739 62.100 0.045 0.000 0.987 65 T CB 0.453 69.313 68.868 -0.012 0.000 0.920 65 T HN 0.958 nan 8.240 nan 0.000 0.470 66 F N 0.220 120.158 119.950 -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 -0.027 0.000 0.981 66 F CB 1.502 40.480 39.000 -0.037 0.000 1.289 66 F HN 0.431 nan 8.300 nan 0.000 0.490 67 T N 2.424 117.047 114.554 0.116 0.000 2.991 67 T HA 0.468 4.818 4.350 -0.000 0.000 0.303 67 T C -0.687 174.084 174.700 0.120 0.000 1.015 67 T CA -0.424 61.681 62.100 0.007 0.000 1.007 67 T CB 1.260 70.115 68.868 -0.022 0.000 1.034 67 T HN 0.562 nan 8.240 nan 0.000 0.446 68 I N 5.052 125.684 120.570 0.103 0.000 2.312 68 I HA 0.277 4.447 4.170 -0.000 0.000 0.291 68 I C -1.955 174.187 176.117 0.042 0.000 1.031 68 I CA -2.148 59.213 61.300 0.102 0.000 1.293 68 I CB 0.920 38.991 38.000 0.118 0.000 1.403 68 I HN 0.326 nan 8.210 nan 0.000 0.484 69 P HA 0.101 nan 4.420 nan 0.000 0.285 69 P C 0.178 177.487 177.300 0.015 0.000 1.282 69 P CA -0.076 63.034 63.100 0.018 0.000 0.778 69 P CB 0.735 32.446 31.700 0.018 0.000 1.222 70 A N -0.156 122.670 122.820 0.011 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 0.015 0.000 1.946 70 A CA 0.583 52.627 52.037 0.011 0.000 0.739 70 A CB -1.399 17.606 19.000 0.008 0.000 1.405 70 A HN 0.542 nan 8.150 nan 0.000 0.548 71 N N 0.184 118.893 118.700 0.015 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 0.018 0.000 1.033 71 N CA 1.058 54.118 53.050 0.016 0.000 0.727 71 N CB -1.282 37.215 38.487 0.017 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 -0.004 0.000 0.671 79 G HN 0.282 nan 8.290 nan 0.000 0.485 80 R N 1.647 122.158 120.500 0.018 0.000 2.254 80 R HA 0.389 4.729 4.340 -0.000 0.000 0.318 80 R C -0.124 176.191 176.300 0.024 0.000 1.031 80 R CA -0.738 55.386 56.100 0.041 0.000 0.905 80 R CB 0.498 30.840 30.300 0.069 0.000 1.050 80 R HN 0.326 nan 8.270 nan 0.000 0.456 81 N N 2.856 121.556 118.700 -0.001 0.000 2.345 81 N HA -0.038 4.702 4.740 -0.000 0.000 0.243 81 N C -0.466 174.945 175.510 -0.165 0.000 1.246 81 N CA 0.631 53.591 53.050 -0.150 0.000 0.863 81 N CB 0.614 38.924 38.487 -0.295 0.000 1.096 81 N HN 0.332 nan 8.380 nan 0.000 0.446 82 K N 0.943 121.175 120.400 -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 -0.354 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 0.581 120.561 119.950 0.050 0.000 2.575 83 F HA 0.517 5.044 4.527 -0.000 0.000 0.330 83 F C 0.093 175.930 175.800 0.061 0.000 1.056 83 F CA -1.093 56.900 58.000 -0.012 0.000 0.964 83 F CB 1.673 40.562 39.000 -0.186 0.000 1.258 83 F HN 0.172 nan 8.300 nan 0.000 0.484 84 V N -1.949 118.093 119.914 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 0.137 0.000 1.099 84 V CA -0.699 61.708 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 2.464 117.118 114.554 0.166 0.000 2.821 85 T HA 0.517 4.867 4.350 -0.000 0.000 0.307 85 T C -0.213 174.523 174.700 0.060 0.000 1.034 85 T CA -0.234 61.949 62.100 0.138 0.000 0.953 85 T CB 0.903 69.922 68.868 0.253 0.000 0.968 85 T HN 0.692 nan 8.240 nan 0.000 0.462 86 V N 4.196 124.105 119.914 -0.009 0.000 2.555 86 V HA 0.298 4.418 4.120 -0.000 0.000 0.286 86 V C 0.369 176.435 176.094 -0.046 0.000 1.044 86 V CA -0.271 61.978 62.300 -0.086 0.000 1.026 86 V CB 1.158 32.913 31.823 -0.113 0.000 0.981 86 V HN 0.819 nan 8.190 nan 0.000 0.480 87 Q N 3.552 123.307 119.800 -0.075 0.000 2.397 87 Q HA 0.642 4.981 4.340 -0.000 0.000 0.260 87 Q C -0.843 175.086 176.000 -0.118 0.000 1.002 87 Q CA -0.532 55.244 55.803 -0.044 0.000 0.716 87 Q CB 1.529 30.288 28.738 0.036 0.000 1.258 87 Q HN 0.890 nan 8.270 nan 0.000 0.477 88 A N 3.132 125.867 122.820 -0.141 0.000 2.249 88 A HA 0.560 4.880 4.320 -0.000 0.000 0.314 88 A C -0.456 176.898 177.584 -0.383 0.000 1.290 88 A CA -0.374 51.472 52.037 -0.318 0.000 0.893 88 A CB 1.078 19.856 19.000 -0.371 0.000 1.165 88 A HN 0.608 nan 8.150 nan 0.000 0.530 89 T N 3.329 117.642 114.554 -0.401 0.000 2.753 89 T HA 0.380 4.730 4.350 -0.000 0.000 0.297 89 T C -0.602 173.846 174.700 -0.421 0.000 0.981 89 T CA 0.227 62.154 62.100 -0.288 0.000 0.956 89 T CB -0.405 68.368 68.868 -0.157 0.000 0.936 89 T HN 0.365 nan 8.240 nan 0.000 0.463 90 F N 3.376 123.177 119.950 -0.248 0.000 2.605 90 F HA 0.440 4.967 4.527 -0.000 0.000 0.352 90 F C 1.629 177.227 175.800 -0.337 0.000 1.236 90 F CA -0.159 57.616 58.000 -0.374 0.000 1.267 90 F CB -0.340 38.178 39.000 -0.803 0.000 1.632 90 F HN 0.895 nan 8.300 nan 0.000 0.639 91 G N 1.343 110.089 108.800 -0.090 0.000 5.155 91 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.239 91 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.239 91 G C 1.105 175.975 174.900 -0.050 0.000 1.409 91 G CA 0.888 45.954 45.100 -0.056 0.000 0.927 91 G HN 0.430 nan 8.290 nan 0.000 0.710 92 T N -0.171 114.354 114.554 -0.049 0.000 3.177 92 T HA 0.292 4.642 4.350 -0.000 0.000 0.262 92 T C 0.713 175.401 174.700 -0.019 0.000 0.959 92 T CA 0.885 62.969 62.100 -0.026 0.000 0.996 92 T CB 0.380 69.245 68.868 -0.005 0.000 1.185 92 T HN 0.567 nan 8.240 nan 0.000 0.486 93 Q N 3.074 122.858 119.800 -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 0.604 29.361 28.738 0.030 0.000 1.174 93 Q HN 0.226 nan 8.270 nan 0.000 0.385 94 V N 5.553 125.499 119.914 0.053 0.000 2.472 94 V HA 0.687 4.807 4.120 -0.000 0.000 0.290 94 V C -1.125 175.028 176.094 0.099 0.000 1.037 94 V CA -0.557 61.776 62.300 0.056 0.000 0.908 94 V CB 1.747 33.579 31.823 0.014 0.000 0.985 94 V HN 0.628 nan 8.190 nan 0.000 0.454 95 V N 7.406 127.399 119.914 0.133 0.000 2.482 95 V HA 0.555 4.675 4.120 -0.000 0.000 0.295 95 V C -0.380 175.757 176.094 0.073 0.000 1.026 95 V CA -0.572 61.808 62.300 0.132 0.000 0.856 95 V CB 1.671 33.633 31.823 0.233 0.000 1.001 95 V HN 1.018 nan 8.190 nan 0.000 0.424 96 E N 3.647 123.873 120.200 0.043 0.000 2.312 96 E HA 0.899 5.249 4.350 -0.000 0.000 0.267 96 E C -1.183 175.423 176.600 0.011 0.000 0.894 96 E CA -1.329 55.085 56.400 0.023 0.000 0.773 96 E CB 3.238 32.957 29.700 0.031 0.000 1.241 96 E HN 0.364 nan 8.360 nan 0.000 0.432 97 K N 0.923 121.322 120.400 -0.001 0.000 2.542 97 K HA 0.331 4.651 4.320 -0.000 0.000 0.259 97 K C -1.984 174.601 176.600 -0.025 0.000 0.932 97 K CA -0.711 55.565 56.287 -0.018 0.000 0.820 97 K CB 2.310 34.795 32.500 -0.025 0.000 1.345 97 K HN 0.445 nan 8.250 nan 0.000 0.432 98 V N 3.955 123.831 119.914 -0.064 0.000 2.439 98 V HA 0.558 4.678 4.120 -0.000 0.000 0.282 98 V C -0.470 175.605 176.094 -0.031 0.000 1.039 98 V CA -0.710 61.530 62.300 -0.101 0.000 0.913 98 V CB 1.372 32.998 31.823 -0.328 0.000 0.983 98 V HN 0.540 nan 8.190 nan 0.000 0.460 99 V N 5.256 125.202 119.914 0.054 0.000 2.769 99 V HA 0.461 4.581 4.120 -0.000 0.000 0.312 99 V C -0.238 175.977 176.094 0.201 0.000 1.061 99 V CA -0.867 61.500 62.300 0.112 0.000 0.931 99 V CB 1.986 33.854 31.823 0.076 0.000 1.010 99 V HN 0.695 nan 8.190 nan 0.000 0.433 100 L N 4.265 125.593 121.223 0.174 0.000 2.439 100 L HA 0.517 4.857 4.340 -0.000 0.000 0.269 100 L C -0.300 176.491 176.870 -0.132 0.000 1.179 100 L CA 0.651 55.445 54.840 -0.077 0.000 0.828 100 L CB 1.184 43.206 42.059 -0.063 0.000 1.106 100 L HN 0.465 nan 8.230 nan 0.000 0.467 101 V N 3.685 123.442 119.914 -0.261 0.000 2.604 101 V HA 0.512 4.632 4.120 -0.000 0.000 0.305 101 V C -0.177 175.826 176.094 -0.152 0.000 1.043 101 V CA -0.611 61.600 62.300 -0.148 0.000 0.888 101 V CB 1.669 33.430 31.823 -0.104 0.000 0.995 101 V HN 0.873 nan 8.190 nan 0.000 0.429 102 S N 3.499 119.139 115.700 -0.100 0.000 2.525 102 S HA 0.485 4.955 4.470 -0.000 0.000 0.290 102 S C 0.582 175.151 174.600 -0.051 0.000 1.152 102 S CA -0.719 57.435 58.200 -0.077 0.000 1.072 102 S CB 1.028 64.192 63.200 -0.061 0.000 1.027 102 S HN 0.566 nan 8.310 nan 0.000 0.500 103 L N 3.267 124.467 121.223 -0.037 0.000 2.554 103 L HA 0.185 4.525 4.340 -0.000 0.000 0.226 103 L C 0.932 177.805 176.870 0.005 0.000 1.137 103 L CA 0.894 55.723 54.840 -0.018 0.000 0.863 103 L CB -1.104 40.944 42.059 -0.019 0.000 0.985 103 L HN 0.744 nan 8.230 nan 0.000 0.451 104 Q N 0.072 119.887 119.800 0.025 0.000 2.262 104 Q HA -0.006 4.334 4.340 -0.000 0.000 0.272 104 Q C 1.340 177.392 176.000 0.087 0.000 1.076 104 Q CA 0.213 56.051 55.803 0.058 0.000 0.905 104 Q CB 0.745 29.548 28.738 0.109 0.000 1.182 104 Q HN 0.257 nan 8.270 nan 0.000 0.390 105 S N 1.626 117.280 115.700 -0.077 0.000 2.470 105 S HA 0.287 4.757 4.470 -0.000 0.000 0.222 105 S C 0.844 175.139 174.600 -0.509 0.000 1.024 105 S CA 0.298 58.374 58.200 -0.207 0.000 0.931 105 S CB 0.504 63.478 63.200 -0.377 0.000 0.791 105 S HN 0.756 nan 8.310 nan 0.000 0.513 106 G N -0.527 107.853 108.800 -0.700 0.000 2.356 106 G HA2 0.462 4.422 3.960 -0.000 0.000 0.281 106 G HA3 0.462 4.422 3.960 -0.000 0.000 0.281 106 G C -2.052 172.456 174.900 -0.655 0.000 1.246 106 G CA -0.894 43.633 45.100 -0.956 0.000 0.889 106 G HN 0.184 nan 8.290 nan 0.000 0.486 107 Y N -0.885 119.322 120.300 -0.155 0.000 2.598 107 Y HA 0.842 5.392 4.550 -0.000 0.000 0.340 107 Y C 0.214 175.586 175.900 -0.879 0.000 1.038 107 Y CA -1.011 56.798 58.100 -0.484 0.000 1.100 107 Y CB 2.202 40.376 38.460 -0.477 0.000 1.281 107 Y HN 0.389 nan 8.280 nan 0.000 0.488 108 L N 2.288 122.458 121.223 -1.755 0.000 2.438 108 L HA 0.511 4.851 4.340 -0.000 0.000 0.270 108 L C -1.730 174.518 176.870 -1.036 0.000 0.972 108 L CA -0.529 53.581 54.840 -1.216 0.000 0.831 108 L CB 1.709 43.103 42.059 -1.108 0.000 1.273 108 L HN 0.478 nan 8.230 nan 0.000 0.405 109 F N 3.710 123.603 119.950 -0.094 0.000 2.427 109 F HA 0.532 5.059 4.527 -0.000 0.000 0.348 109 F C 0.163 176.080 175.800 0.195 0.000 1.125 109 F CA -0.488 57.563 58.000 0.085 0.000 0.989 109 F CB 1.432 40.505 39.000 0.123 0.000 1.165 109 F HN 0.156 nan 8.300 nan 0.000 0.442 110 I N 3.278 124.024 120.570 0.293 0.000 2.353 110 I HA 0.343 4.513 4.170 -0.000 0.000 0.293 110 I C -0.416 175.861 176.117 0.267 0.000 0.992 110 I CA -0.573 60.860 61.300 0.221 0.000 1.268 110 I CB 1.667 39.764 38.000 0.162 0.000 1.387 110 I HN 0.575 nan 8.210 nan 0.000 0.478 111 Q N 5.653 125.593 119.800 0.234 0.000 2.310 111 Q HA 0.418 4.758 4.340 -0.000 0.000 0.270 111 Q C -1.152 174.965 176.000 0.195 0.000 1.025 111 Q CA -0.674 55.277 55.803 0.246 0.000 0.772 111 Q CB 2.059 31.005 28.738 0.346 0.000 1.253 111 Q HN 0.791 nan 8.270 nan 0.000 0.450 112 T N 0.204 114.876 114.554 0.197 0.000 2.823 112 T HA 0.200 4.550 4.350 -0.000 0.000 0.279 112 T C 0.960 175.776 174.700 0.193 0.000 0.998 112 T CA -0.492 61.726 62.100 0.196 0.000 0.994 112 T CB 1.212 70.199 68.868 0.198 0.000 0.960 112 T HN 0.689 nan 8.240 nan 0.000 0.448 113 D N 3.003 123.513 120.400 0.184 0.000 2.103 113 D HA -0.150 4.490 4.640 -0.000 0.000 0.190 113 D C 0.458 176.792 176.300 0.057 0.000 0.997 113 D CA 1.341 55.416 54.000 0.124 0.000 0.833 113 D CB -0.011 40.854 40.800 0.108 0.000 0.961 113 D HN 0.592 nan 8.370 nan 0.000 0.447 114 K N -0.826 119.568 120.400 -0.010 0.000 2.210 114 K HA 0.342 4.662 4.320 -0.000 0.000 0.236 114 K C 1.253 177.742 176.600 -0.184 0.000 1.016 114 K CA 0.018 56.128 56.287 -0.295 0.000 0.913 114 K CB 1.528 33.603 32.500 -0.709 0.000 1.141 114 K HN 0.146 nan 8.250 nan 0.000 0.462 115 T N -2.400 112.002 114.554 -0.253 0.000 3.015 115 T HA 0.243 4.593 4.350 -0.000 0.000 0.250 115 T C 0.772 175.472 174.700 -0.001 0.000 1.057 115 T CA -0.015 62.062 62.100 -0.038 0.000 1.066 115 T CB 0.132 68.967 68.868 -0.056 0.000 0.959 115 T HN 0.467 nan 8.240 nan 0.000 0.488 116 I N 0.369 120.789 120.570 -0.250 0.000 2.686 116 I HA 0.609 4.779 4.170 -0.000 0.000 0.295 116 I C -1.890 174.135 176.117 -0.153 0.000 1.114 116 I CA -1.711 59.533 61.300 -0.092 0.000 1.038 116 I CB 2.221 40.058 38.000 -0.272 0.000 1.238 116 I HN 0.092 nan 8.210 nan 0.000 0.420 117 Y N 3.102 123.596 120.300 0.324 0.000 2.536 117 Y HA 0.519 5.069 4.550 -0.000 0.000 0.347 117 Y C 0.156 176.181 175.900 0.207 0.000 1.000 117 Y CA -0.764 57.499 58.100 0.271 0.000 1.051 117 Y CB 2.307 40.850 38.460 0.139 0.000 1.259 117 Y HN 0.501 nan 8.280 nan 0.000 0.468 118 T N -0.603 114.020 114.554 0.115 0.000 2.867 118 T HA 0.451 4.801 4.350 -0.000 0.000 0.282 118 T C -2.940 171.723 174.700 -0.062 0.000 1.000 118 T CA -2.803 59.233 62.100 -0.107 0.000 1.042 118 T CB 1.414 70.061 68.868 -0.368 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 0.936 63.985 63.100 -0.086 0.000 0.780 119 P CB 0.012 31.685 31.700 -0.045 0.000 0.789 120 G N 1.982 110.694 108.800 -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 45.202 45.100 -0.142 0.000 0.696 120 G HN 0.665 nan 8.290 nan 0.000 0.478 121 S N -0.013 115.611 115.700 -0.128 0.000 2.686 121 S HA 0.743 5.213 4.470 -0.000 0.000 0.270 121 S C 0.012 174.523 174.600 -0.148 0.000 1.194 121 S CA 0.505 58.652 58.200 -0.088 0.000 0.990 121 S CB 1.708 64.912 63.200 0.007 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 -0.090 0.000 2.823 122 T HA 0.542 4.892 4.350 -0.000 0.000 0.279 122 T C -0.774 173.867 174.700 -0.099 0.000 0.998 122 T CA -0.595 61.420 62.100 -0.142 0.000 0.994 122 T CB 1.333 70.142 68.868 -0.099 0.000 0.960 122 T HN 0.511 nan 8.240 nan 0.000 0.448 123 V N 4.760 124.535 119.914 -0.232 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 -0.032 0.000 1.029 123 V CA -0.715 61.374 62.300 -0.352 0.000 0.870 123 V CB 0.815 32.144 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 0.566 4.906 4.340 -0.000 0.000 0.288 124 L C -0.706 176.216 176.870 0.087 0.000 1.035 124 L CA -0.555 54.305 54.840 0.032 0.000 0.820 124 L CB 0.436 42.506 42.059 0.018 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 0.757 5.307 4.550 -0.000 0.000 0.344 125 Y C -0.682 175.145 175.900 -0.121 0.000 0.976 125 Y CA -1.275 56.772 58.100 -0.089 0.000 1.040 125 Y CB 1.336 39.731 38.460 -0.109 0.000 1.228 125 Y HN 0.380 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 -1.654 174.416 176.300 -0.382 0.000 0.963 126 R CA -1.085 54.809 56.100 -0.344 0.000 0.901 126 R CB 2.166 32.181 30.300 -0.475 0.000 1.160 126 R HN 0.707 nan 8.270 nan 0.000 0.457 127 I N 3.337 123.670 120.570 -0.395 0.000 2.355 127 I HA 0.250 4.420 4.170 -0.000 0.000 0.288 127 I C -0.732 175.172 176.117 -0.356 0.000 0.999 127 I CA -0.200 60.932 61.300 -0.280 0.000 1.163 127 I CB 0.794 38.707 38.000 -0.146 0.000 1.316 127 I HN 0.363 nan 8.210 nan 0.000 0.454 128 F N 4.063 124.029 119.950 0.026 0.000 2.424 128 F HA 0.434 4.961 4.527 -0.000 0.000 0.356 128 F C 0.925 176.737 175.800 0.022 0.000 1.110 128 F CA -0.710 57.323 58.000 0.054 0.000 1.161 128 F CB 0.983 40.066 39.000 0.138 0.000 1.115 128 F HN 0.395 nan 8.300 nan 0.000 0.507 129 T N 1.910 116.572 114.554 0.178 0.000 2.770 129 T HA 0.723 5.073 4.350 -0.000 0.000 0.297 129 T C -0.530 174.293 174.700 0.204 0.000 0.997 129 T CA -0.658 61.531 62.100 0.149 0.000 0.949 129 T CB 0.612 69.549 68.868 0.116 0.000 0.941 129 T HN 0.566 nan 8.240 nan 0.000 0.457 130 V N 1.152 121.196 119.914 0.217 0.000 3.160 130 V HA 0.789 4.909 4.120 -0.000 0.000 0.310 130 V C -0.534 175.607 176.094 0.078 0.000 1.181 130 V CA -1.415 60.984 62.300 0.164 0.000 1.047 130 V CB 1.849 33.797 31.823 0.208 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 0.288 5.028 4.740 -0.000 0.000 0.301 131 N C 0.666 176.146 175.510 -0.050 0.000 1.310 131 N CA 0.213 53.211 53.050 -0.087 0.000 0.949 131 N CB -0.465 38.014 38.487 -0.014 0.000 1.111 131 N HN 0.804 nan 8.380 nan 0.000 0.565 132 H N -1.441 117.627 119.070 -0.003 0.000 2.521 132 H HA 0.152 4.707 4.556 -0.000 0.000 0.286 132 H C 0.470 175.940 175.328 0.237 0.000 1.034 132 H CA 1.107 57.231 56.048 0.126 0.000 1.278 132 H CB 0.129 29.902 29.762 0.019 0.000 1.386 132 H HN 0.480 nan 8.280 nan 0.000 0.567 133 K N 0.632 121.179 120.400 0.245 0.000 2.410 133 K HA 0.158 4.478 4.320 -0.000 0.000 0.200 133 K C 0.126 176.829 176.600 0.171 0.000 1.023 133 K CA 0.067 56.468 56.287 0.189 0.000 1.149 133 K CB 0.700 33.272 32.500 0.121 0.000 0.859 133 K HN 0.163 nan 8.250 nan 0.000 0.514 134 L N 0.130 121.474 121.223 0.201 0.000 4.813 134 L HA -0.264 4.076 4.340 -0.000 0.000 0.434 134 L C -0.291 176.641 176.870 0.104 0.000 1.106 134 L CA 0.456 55.390 54.840 0.156 0.000 0.991 134 L CB -1.589 40.517 42.059 0.078 0.000 2.005 134 L HN 0.262 nan 8.230 nan 0.000 0.817 135 L N 2.023 123.304 121.223 0.098 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 0.073 0.000 1.092 135 L CA -1.731 53.151 54.840 0.071 0.000 0.810 135 L CB 0.575 42.669 42.059 0.060 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 63.290 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 1.129 121.086 119.914 0.070 0.000 3.048 137 V HA 0.651 4.771 4.120 -0.000 0.000 0.303 137 V C -0.509 175.624 176.094 0.064 0.000 1.214 137 V CA -0.579 61.751 62.300 0.050 0.000 0.984 137 V CB 2.450 34.287 31.823 0.023 0.000 1.054 137 V HN 0.705 nan 8.190 nan 0.000 0.430 138 G N 5.011 113.837 108.800 0.044 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 -0.511 174.421 174.900 0.054 0.000 1.074 138 G CA -0.396 44.731 45.100 0.045 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 0.094 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 31.514 30.300 0.240 0.000 1.227 139 R HN 0.383 nan 8.270 nan 0.000 0.473 140 T N 1.145 115.755 114.554 0.094 0.000 2.744 140 T HA 0.427 4.777 4.350 -0.000 0.000 0.291 140 T C -0.156 174.535 174.700 -0.014 0.000 0.957 140 T CA -0.420 61.696 62.100 0.027 0.000 1.002 140 T CB 0.994 69.871 68.868 0.015 0.000 0.919 140 T HN 0.113 nan 8.240 nan 0.000 0.468 141 V N 5.186 125.034 119.914 -0.110 0.000 2.555 141 V HA 0.482 4.602 4.120 -0.000 0.000 0.302 141 V C -0.202 175.721 176.094 -0.284 0.000 1.038 141 V CA -0.948 61.206 62.300 -0.243 0.000 0.887 141 V CB 1.805 33.461 31.823 -0.278 0.000 0.991 141 V HN 0.785 nan 8.190 nan 0.000 0.434 142 M N 4.901 124.203 119.600 -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 54.546 55.300 -0.528 0.000 0.984 142 M CB 1.229 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 4.826 124.628 119.914 -0.187 0.000 2.448 143 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 143 V C 0.021 176.088 176.094 -0.045 0.000 1.025 143 V CA -0.747 61.506 62.300 -0.079 0.000 0.859 143 V CB 1.798 33.619 31.823 -0.003 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 -1.369 174.084 175.510 -0.094 0.000 1.216 144 N CA -0.797 52.226 53.050 -0.044 0.000 0.803 144 N CB 2.856 41.350 38.487 0.011 0.000 1.372 144 N HN 0.446 nan 8.380 nan 0.000 0.500 145 I N 1.441 121.922 120.570 -0.147 0.000 2.468 145 I HA 0.233 4.403 4.170 -0.000 0.000 0.284 145 I C -0.630 175.434 176.117 -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 0.338 nan 8.210 nan 0.000 0.443 146 E N 4.711 124.880 120.200 -0.052 0.000 2.214 146 E HA 0.288 4.638 4.350 -0.000 0.000 0.274 146 E C -0.715 175.662 176.600 -0.372 0.000 0.977 146 E CA -0.900 55.407 56.400 -0.155 0.000 0.827 146 E CB 1.521 31.133 29.700 -0.146 0.000 1.130 146 E HN 0.548 nan 8.360 nan 0.000 0.394 147 N N 1.630 119.925 118.700 -0.674 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 -0.913 0.000 1.238 147 N CA -1.792 50.403 53.050 -1.426 0.000 0.972 147 N CB -0.205 37.612 38.487 -1.116 0.000 1.210 147 N HN 0.019 nan 8.380 nan 0.000 0.547 148 P HA -0.191 nan 4.420 nan 0.000 0.217 148 P C 0.280 177.392 177.300 -0.314 0.000 1.148 148 P CA 1.756 64.560 63.100 -0.493 0.000 0.834 148 P CB -0.058 31.424 31.700 -0.362 0.000 0.783 149 E N -0.921 119.099 120.200 -0.299 0.000 2.368 149 E HA 0.250 4.600 4.350 -0.000 0.000 0.188 149 E C 0.584 177.076 176.600 -0.179 0.000 1.061 149 E CA 0.065 56.349 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 0.050 nan 8.360 nan 0.000 0.458 150 G N 2.084 110.755 108.800 -0.216 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 -0.218 174.593 174.900 -0.148 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 0.640 121.102 120.570 -0.180 0.000 2.476 151 I HA 0.271 4.441 4.170 -0.000 0.000 0.281 151 I C -2.273 173.770 176.117 -0.123 0.000 1.040 151 I CA -2.898 58.324 61.300 -0.130 0.000 1.094 151 I CB 1.784 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 0.039 nan 4.420 nan 0.000 0.265 152 P C 0.971 178.240 177.300 -0.053 0.000 1.193 152 P CA 0.223 63.280 63.100 -0.072 0.000 0.765 152 P CB 0.954 32.626 31.700 -0.048 0.000 0.823 153 V N 0.362 120.236 119.914 -0.066 0.000 3.371 153 V HA 0.331 4.451 4.120 -0.000 0.000 0.246 153 V C 0.426 176.477 176.094 -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 1.968 122.254 120.400 -0.191 0.000 2.468 154 K HA 0.533 4.853 4.320 -0.000 0.000 0.252 154 K C -1.654 174.861 176.600 -0.143 0.000 0.932 154 K CA -0.480 55.692 56.287 -0.191 0.000 0.794 154 K CB 1.930 34.188 32.500 -0.404 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 -1.422 174.559 176.000 -0.031 0.000 1.030 155 Q CA -0.813 54.962 55.803 -0.046 0.000 0.788 155 Q CB 2.271 30.996 28.738 -0.022 0.000 1.266 155 Q HN 0.491 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 -0.690 175.576 176.300 -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 -1.237 173.327 174.600 -0.060 0.000 1.578 157 S CA -0.552 57.606 58.200 -0.070 0.000 1.260 157 S CB -0.325 62.843 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 0.055 176.889 176.870 -0.060 0.000 1.061 158 L CA 0.097 54.901 54.840 -0.061 0.000 0.799 158 L CB 1.854 43.871 42.059 -0.070 0.000 1.240 158 L HN 0.422 nan 8.230 nan 0.000 0.461 159 S N -0.726 114.947 115.700 -0.044 0.000 2.500 159 S HA 0.401 4.871 4.470 -0.000 0.000 0.301 159 S C 0.350 174.935 174.600 -0.026 0.000 1.092 159 S CA -0.079 58.104 58.200 -0.028 0.000 1.030 159 S CB 1.109 64.301 63.200 -0.013 0.000 1.031 159 S HN 0.724 nan 8.310 nan 0.000 0.483 160 S N 3.102 118.794 115.700 -0.013 0.000 2.803 160 S HA 0.125 4.595 4.470 -0.000 0.000 0.228 160 S C 0.422 175.025 174.600 0.006 0.000 0.953 160 S CA -0.195 58.001 58.200 -0.007 0.000 0.983 160 S CB -0.344 62.862 63.200 0.011 0.000 0.784 160 S HN 0.709 nan 8.310 nan 0.000 0.498 161 Q N 2.679 122.481 119.800 0.003 0.000 2.244 161 Q HA 0.187 4.527 4.340 -0.000 0.000 0.278 161 Q C 0.190 176.190 176.000 0.001 0.000 1.093 161 Q CA 0.845 56.651 55.803 0.006 0.000 0.916 161 Q CB -0.804 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 2.585 121.289 118.700 0.005 0.000 2.708 162 N HA -0.291 4.449 4.740 -0.000 0.000 0.251 162 N C -0.161 175.349 175.510 -0.001 0.000 1.123 162 N CA 0.627 53.678 53.050 0.002 0.000 0.739 162 N CB -0.446 38.041 38.487 -0.000 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 0.006 0.000 0.861 163 Q CA -0.256 55.543 55.803 -0.006 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 -0.148 121.085 121.223 0.017 0.000 3.717 164 L HA -0.193 4.147 4.340 -0.000 0.000 0.411 164 L C 0.532 177.436 176.870 0.057 0.000 1.233 164 L CA 1.233 56.092 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 0.452 nan 8.230 nan 0.000 0.894 165 G N -1.129 107.705 108.800 0.057 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 0.106 0.000 1.047 165 G CA 0.287 45.441 45.100 0.090 0.000 0.869 165 G HN 1.193 nan 8.290 nan 0.000 0.502 166 V N 0.509 120.437 119.914 0.023 0.000 2.567 166 V HA 0.490 4.610 4.120 -0.000 0.000 0.298 166 V C 0.167 176.177 176.094 -0.141 0.000 1.047 166 V CA -0.698 61.557 62.300 -0.074 0.000 0.880 166 V CB 1.874 33.692 31.823 -0.008 0.000 1.009 166 V HN 0.293 nan 8.190 nan 0.000 0.429 167 L N 7.069 128.157 121.223 -0.226 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 53.146 54.840 -0.202 0.000 0.895 167 L CB 1.796 43.750 42.059 -0.174 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 -0.665 176.443 177.300 -0.321 0.000 1.226 168 P CA 0.221 63.164 63.100 -0.261 0.000 0.765 168 P CB 0.901 32.497 31.700 -0.173 0.000 0.835 169 L N 1.786 122.701 121.223 -0.514 0.000 2.397 169 L HA 0.753 5.093 4.340 -0.000 0.000 0.251 169 L C -0.264 176.208 176.870 -0.663 0.000 1.064 169 L CA -0.720 53.731 54.840 -0.649 0.000 0.859 169 L CB 2.392 43.868 42.059 -0.970 0.000 1.468 169 L HN 0.379 nan 8.230 nan 0.000 0.411 170 S N -0.905 114.578 115.700 -0.363 0.000 2.543 170 S HA 0.649 5.119 4.470 -0.000 0.000 0.274 170 S C -2.136 172.594 174.600 0.216 0.000 1.149 170 S CA -0.752 57.412 58.200 -0.060 0.000 0.866 170 S CB 1.918 65.077 63.200 -0.069 0.000 1.111 170 S HN 0.654 nan 8.310 nan 0.000 0.457 171 W N 1.940 123.259 121.300 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 -0.083 0.000 1.144 171 W CA -0.426 56.918 57.345 -0.002 0.000 1.227 171 W CB 1.390 30.871 29.460 0.035 0.000 1.371 171 W HN 0.694 nan 8.180 nan 0.000 0.491 172 D N 5.390 125.340 120.400 -0.751 0.000 2.277 172 D HA 0.303 4.943 4.640 -0.000 0.000 0.249 172 D C 0.091 175.592 176.300 -1.330 0.000 1.134 172 D CA 0.187 53.723 54.000 -0.774 0.000 0.863 172 D CB 1.205 41.749 40.800 -0.426 0.000 1.143 172 D HN 0.264 nan 8.370 nan 0.000 0.458 173 I N 4.243 124.193 120.570 -1.033 0.000 2.379 173 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 173 I C -1.981 173.836 176.117 -0.501 0.000 1.063 173 I CA -1.841 58.878 61.300 -0.968 0.000 1.351 173 I CB 0.676 38.288 38.000 -0.647 0.000 1.410 173 I HN 0.039 nan 8.210 nan 0.000 0.505 174 P HA 0.025 nan 4.420 nan 0.000 0.269 174 P C 0.540 177.777 177.300 -0.104 0.000 1.209 174 P CA -0.180 62.821 63.100 -0.163 0.000 0.776 174 P CB 0.696 32.366 31.700 -0.049 0.000 0.876 175 E N 1.229 121.385 120.200 -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 1.159 57.531 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 0.464 nan 8.360 nan 0.000 0.452 176 L N 1.673 122.902 121.223 0.010 0.000 2.385 176 L HA 0.201 4.541 4.340 -0.000 0.000 0.285 176 L C -0.076 176.843 176.870 0.081 0.000 1.125 176 L CA -0.296 54.567 54.840 0.039 0.000 0.890 176 L CB 0.619 42.700 42.059 0.036 0.000 1.251 176 L HN -0.175 nan 8.230 nan 0.000 0.445 177 V N 2.656 122.635 119.914 0.108 0.000 3.167 177 V HA 0.330 4.450 4.120 -0.000 0.000 0.293 177 V C -1.040 175.183 176.094 0.216 0.000 1.379 177 V CA -0.894 61.527 62.300 0.201 0.000 1.019 177 V CB 2.796 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 3.706 122.558 118.700 0.252 0.000 2.497 178 N HA 0.421 5.161 4.740 -0.000 0.000 0.268 178 N C -0.319 175.368 175.510 0.295 0.000 1.171 178 N CA -0.067 53.096 53.050 0.189 0.000 0.948 178 N CB 0.916 39.451 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 0.499 4.979 4.480 -0.000 0.000 0.326 179 M C 1.259 177.663 176.300 0.173 0.000 1.134 179 M CA 0.285 55.721 55.300 0.227 0.000 1.136 179 M CB 1.015 33.703 32.600 0.146 0.000 1.454 179 M HN 0.782 nan 8.290 nan 0.000 0.467 180 G N -0.030 108.886 108.800 0.193 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 -1.671 173.300 174.900 0.118 0.000 1.329 180 G CA -0.876 44.282 45.100 0.097 0.000 1.100 180 G HN 0.484 nan 8.290 nan 0.000 0.470 181 Q N 0.157 119.957 119.800 0.001 0.000 2.340 181 Q HA 0.482 4.822 4.340 -0.000 0.000 0.259 181 Q C -1.207 174.704 176.000 -0.147 0.000 0.964 181 Q CA -0.169 55.619 55.803 -0.025 0.000 0.900 181 Q CB 1.535 30.248 28.738 -0.042 0.000 1.228 181 Q HN 0.443 nan 8.270 nan 0.000 0.449 182 W N 1.847 122.890 121.300 -0.429 0.000 2.436 182 W HA 0.478 5.138 4.660 -0.000 0.000 0.347 182 W C 0.447 176.682 176.519 -0.473 0.000 1.136 182 W CA -0.382 56.607 57.345 -0.593 0.000 1.286 182 W CB 1.153 29.904 29.460 -1.182 0.000 1.253 182 W HN 0.275 nan 8.180 nan 0.000 0.617 183 K N 2.184 122.559 120.400 -0.042 0.000 2.468 183 K HA 0.572 4.892 4.320 -0.000 0.000 0.252 183 K C -1.494 175.182 176.600 0.127 0.000 0.932 183 K CA -0.593 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 0.142 0.000 2.382 184 I HA 0.369 4.539 4.170 -0.000 0.000 0.285 184 I C -0.396 175.745 176.117 0.040 0.000 1.007 184 I CA -0.802 60.520 61.300 0.038 0.000 1.142 184 I CB 1.513 39.465 38.000 -0.081 0.000 1.289 184 I HN 0.403 nan 8.210 nan 0.000 0.453 185 R N 5.424 125.944 120.500 0.033 0.000 2.387 185 R HA 0.831 5.171 4.340 -0.000 0.000 0.314 185 R C -0.720 175.650 176.300 0.117 0.000 0.958 185 R CA -0.597 55.554 56.100 0.084 0.000 0.846 185 R CB 2.147 32.491 30.300 0.072 0.000 1.147 185 R HN 0.659 nan 8.270 nan 0.000 0.447 186 A N 2.885 125.800 122.820 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 -0.812 51.286 52.037 0.102 0.000 0.750 186 A CB 1.271 20.266 19.000 -0.009 0.000 1.296 186 A HN 0.791 nan 8.150 nan 0.000 0.423 187 Y N -1.977 118.322 120.300 -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 -1.519 56.605 58.100 0.040 0.000 1.055 187 Y CB 0.256 38.755 38.460 0.065 0.000 1.337 187 Y HN 0.617 nan 8.280 nan 0.000 0.457 188 Y N 2.137 122.539 120.300 0.171 0.000 2.597 188 Y HA 0.049 4.598 4.550 -0.000 0.000 0.336 188 Y C 1.787 177.747 175.900 0.100 0.000 1.216 188 Y CA 0.591 58.725 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 1.441 121.739 120.200 0.164 0.000 2.265 189 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 189 E C 0.520 177.225 176.600 0.175 0.000 0.996 189 E CA 0.973 57.453 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 0.223 119.027 118.700 0.174 0.000 2.314 190 N HA -0.007 4.733 4.740 -0.000 0.000 0.200 190 N C -0.707 174.872 175.510 0.115 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 -1.497 114.317 115.700 0.189 0.000 2.777 191 S HA 0.230 4.700 4.470 -0.000 0.000 0.140 191 S C -2.394 172.305 174.600 0.165 0.000 1.233 191 S CA -0.831 57.457 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 -0.196 nan 4.420 nan 0.000 0.220 192 P C 1.556 178.686 177.300 -0.282 0.000 1.148 192 P CA 1.205 64.195 63.100 -0.184 0.000 0.803 192 P CB 0.092 31.718 31.700 -0.123 0.000 0.782 193 Q N 0.306 120.028 119.800 -0.131 0.000 2.167 193 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 193 Q C 1.215 177.129 176.000 -0.144 0.000 0.970 193 Q CA 0.957 56.681 55.803 -0.132 0.000 0.855 193 Q CB -0.891 27.799 28.738 -0.081 0.000 0.911 193 Q HN 0.374 nan 8.270 nan 0.000 0.438 194 Q N 1.317 121.054 119.800 -0.104 0.000 2.377 194 Q HA 0.421 4.761 4.340 -0.000 0.000 0.249 194 Q C -1.519 174.367 176.000 -0.191 0.000 1.005 194 Q CA -0.291 55.415 55.803 -0.162 0.000 0.912 194 Q CB 1.051 29.740 28.738 -0.082 0.000 1.223 194 Q HN 0.036 nan 8.270 nan 0.000 0.459 195 V N 5.211 124.937 119.914 -0.315 0.000 2.604 195 V HA 0.499 4.619 4.120 -0.000 0.000 0.305 195 V C -0.767 175.116 176.094 -0.350 0.000 1.043 195 V CA -0.677 61.512 62.300 -0.186 0.000 0.888 195 V CB 1.366 33.115 31.823 -0.124 0.000 0.995 195 V HN 0.603 nan 8.190 nan 0.000 0.429 196 F N 1.570 121.544 119.950 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 2.103 41.085 39.000 -0.029 0.000 1.151 196 F HN 0.390 nan 8.300 nan 0.000 0.474 197 S N 0.338 116.156 115.700 0.197 0.000 2.546 197 S HA 0.783 5.253 4.470 -0.000 0.000 0.274 197 S C -1.021 173.668 174.600 0.150 0.000 1.121 197 S CA -0.839 57.443 58.200 0.137 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 2.167 116.810 114.554 0.149 0.000 2.971 198 T HA 0.392 4.742 4.350 -0.000 0.000 0.304 198 T C -1.116 173.710 174.700 0.211 0.000 1.038 198 T CA -0.717 61.489 62.100 0.176 0.000 1.007 198 T CB 1.483 70.467 68.868 0.193 0.000 1.055 198 T HN 0.545 nan 8.240 nan 0.000 0.451 199 E N 2.084 122.404 120.200 0.200 0.000 2.242 199 E HA 0.632 4.982 4.350 -0.000 0.000 0.275 199 E C -0.975 175.816 176.600 0.319 0.000 1.002 199 E CA -0.819 55.698 56.400 0.195 0.000 0.841 199 E CB 1.398 31.156 29.700 0.096 0.000 1.109 199 E HN 0.616 nan 8.360 nan 0.000 0.394 200 F N -0.762 119.304 119.950 0.193 0.000 2.557 200 F HA 0.421 4.948 4.527 -0.000 0.000 0.316 200 F C -0.466 175.502 175.800 0.280 0.000 1.141 200 F CA -1.156 56.989 58.000 0.243 0.000 0.922 200 F CB 1.074 40.252 39.000 0.296 0.000 1.194 200 F HN 0.276 nan 8.300 nan 0.000 0.443 201 E N 2.899 123.247 120.200 0.246 0.000 2.331 201 E HA 0.492 4.842 4.350 -0.000 0.000 0.272 201 E C -1.418 175.342 176.600 0.268 0.000 1.036 201 E CA -0.653 55.851 56.400 0.173 0.000 0.864 201 E CB 1.590 31.362 29.700 0.120 0.000 1.035 201 E HN 0.677 nan 8.360 nan 0.000 0.408 202 V N 5.549 125.605 119.914 0.237 0.000 2.357 202 V HA 0.419 4.539 4.120 -0.000 0.000 0.284 202 V C -0.221 176.008 176.094 0.225 0.000 1.018 202 V CA -0.432 62.005 62.300 0.229 0.000 0.841 202 V CB 1.330 33.197 31.823 0.073 0.000 0.991 202 V HN 0.644 nan 8.190 nan 0.000 0.437 203 K N 3.264 123.815 120.400 0.252 0.000 2.562 203 K HA 0.422 4.742 4.320 -0.000 0.000 0.267 203 K C -0.879 175.833 176.600 0.186 0.000 0.938 203 K CA -0.699 55.720 56.287 0.220 0.000 0.840 203 K CB 2.329 34.965 32.500 0.226 0.000 1.390 203 K HN 0.672 nan 8.250 nan 0.000 0.428 204 E N 3.740 123.990 120.200 0.082 0.000 1.944 204 E HA 0.093 4.443 4.350 -0.000 0.000 0.272 204 E C -0.954 175.658 176.600 0.019 0.000 1.195 204 E CA -0.110 56.274 56.400 -0.027 0.000 0.926 204 E CB -0.052 29.637 29.700 -0.017 0.000 1.051 204 E HN 0.333 nan 8.360 nan 0.000 0.404 205 Y N -0.234 120.062 120.300 -0.007 0.000 2.686 205 Y HA 0.719 5.269 4.550 -0.000 0.000 0.330 205 Y C -0.578 175.308 175.900 -0.023 0.000 1.082 205 Y CA -1.609 56.480 58.100 -0.018 0.000 1.158 205 Y CB 0.819 39.262 38.460 -0.029 0.000 1.333 205 Y HN -0.001 nan 8.280 nan 0.000 0.519 206 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 -1.089 175.110 176.094 0.176 0.000 1.082 206 V CA -1.116 61.280 62.300 0.160 0.000 0.899 206 V CB 0.959 32.818 31.823 0.061 0.000 1.014 206 V HN 0.773 nan 8.190 nan 0.000 0.429 207 L N 7.904 129.229 121.223 0.169 0.000 2.615 207 L HA 0.292 4.632 4.340 -0.000 0.000 0.271 207 L C -0.975 175.924 176.870 0.048 0.000 1.183 207 L CA 0.097 54.986 54.840 0.082 0.000 0.933 207 L CB -0.583 41.518 42.059 0.070 0.000 1.199 207 L HN 0.639 nan 8.230 nan 0.000 0.487 208 P HA 0.105 nan 4.420 nan 0.000 0.291 208 P C 0.145 177.479 177.300 0.057 0.000 1.287 208 P CA -0.195 62.888 63.100 -0.029 0.000 0.767 208 P CB 0.460 32.035 31.700 -0.207 0.000 1.290 209 S N -2.621 113.162 115.700 0.140 0.000 2.733 209 S HA 0.360 4.830 4.470 -0.000 0.000 0.247 209 S C 0.097 174.955 174.600 0.430 0.000 1.043 209 S CA -0.578 57.823 58.200 0.336 0.000 1.066 209 S CB -0.676 62.813 63.200 0.481 0.000 1.045 209 S HN 0.520 nan 8.310 nan 0.000 0.586 210 F N 0.468 120.425 119.950 0.011 0.000 2.678 210 F HA 0.779 5.306 4.527 -0.000 0.000 0.308 210 F C -1.112 174.623 175.800 -0.107 0.000 1.118 210 F CA -1.133 56.785 58.000 -0.136 0.000 0.959 210 F CB 0.750 39.490 39.000 -0.433 0.000 1.305 210 F HN 0.125 nan 8.300 nan 0.000 0.443 211 E N 1.394 121.558 120.200 -0.060 0.000 2.227 211 E HA 0.754 5.104 4.350 -0.000 0.000 0.268 211 E C -1.711 174.875 176.600 -0.024 0.000 0.990 211 E CA -1.185 55.151 56.400 -0.107 0.000 0.856 211 E CB 2.582 32.258 29.700 -0.039 0.000 1.159 211 E HN 0.533 nan 8.360 nan 0.000 0.401 212 V N 3.020 122.903 119.914 -0.053 0.000 2.483 212 V HA 0.372 4.492 4.120 -0.000 0.000 0.297 212 V C -0.365 175.720 176.094 -0.014 0.000 1.027 212 V CA -0.649 61.649 62.300 -0.004 0.000 0.855 212 V CB 1.171 32.994 31.823 -0.000 0.000 0.995 212 V HN 0.632 nan 8.190 nan 0.000 0.424 213 I N 5.184 125.750 120.570 -0.006 0.000 2.404 213 I HA 0.557 4.727 4.170 -0.000 0.000 0.293 213 I C -0.396 175.716 176.117 -0.009 0.000 0.992 213 I CA -1.059 60.236 61.300 -0.008 0.000 1.149 213 I CB 2.139 40.136 38.000 -0.006 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 -0.009 0.000 2.304 214 V HA 0.509 4.629 4.120 -0.000 0.000 0.278 214 V C -0.465 175.629 176.094 -0.000 0.000 1.018 214 V CA -0.503 61.790 62.300 -0.012 0.000 0.814 214 V CB 0.718 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 5.995 126.196 120.200 0.002 0.000 2.145 215 E HA 0.448 4.798 4.350 -0.000 0.000 0.262 215 E C -2.796 173.808 176.600 0.007 0.000 0.883 215 E CA -1.934 54.469 56.400 0.005 0.000 0.748 215 E CB 2.448 32.149 29.700 0.001 0.000 1.140 215 E HN 0.531 nan 8.360 nan 0.000 0.417 216 P HA -0.042 nan 4.420 nan 0.000 0.271 216 P C 1.030 178.312 177.300 -0.031 0.000 1.216 216 P CA -0.112 62.990 63.100 0.004 0.000 0.776 216 P CB 0.807 32.514 31.700 0.012 0.000 0.881 217 T N -0.562 113.968 114.554 -0.039 0.000 2.665 217 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 217 T C 0.568 175.193 174.700 -0.124 0.000 1.035 217 T CA 1.319 63.382 62.100 -0.062 0.000 1.151 217 T CB -0.467 68.368 68.868 -0.055 0.000 0.862 217 T HN 0.338 nan 8.240 nan 0.000 0.438 218 E N 0.933 121.002 120.200 -0.218 0.000 2.191 218 E HA 0.362 4.712 4.350 -0.000 0.000 0.274 218 E C -0.172 176.215 176.600 -0.355 0.000 0.948 218 E CA -0.570 55.557 56.400 -0.455 0.000 0.802 218 E CB 1.712 30.858 29.700 -0.924 0.000 1.137 218 E HN 0.398 nan 8.360 nan 0.000 0.397 219 K N 2.046 122.302 120.400 -0.239 0.000 2.706 219 K HA 0.120 4.440 4.320 -0.000 0.000 0.217 219 K C -0.302 176.422 176.600 0.206 0.000 1.019 219 K CA 0.220 56.527 56.287 0.034 0.000 1.181 219 K CB -0.589 31.995 32.500 0.139 0.000 0.940 219 K HN 0.313 nan 8.250 nan 0.000 0.491 220 F N -3.520 116.466 119.950 0.060 0.000 3.485 220 F HA 0.373 4.900 4.527 -0.000 0.000 0.328 220 F C -1.849 174.056 175.800 0.175 0.000 1.111 220 F CA -1.818 56.237 58.000 0.090 0.000 0.847 220 F CB 0.764 39.789 39.000 0.041 0.000 1.558 220 F HN -0.178 nan 8.300 nan 0.000 0.491 221 Y N 1.025 121.525 120.300 0.333 0.000 2.396 221 Y HA 0.538 5.088 4.550 -0.000 0.000 0.332 221 Y C -1.964 174.131 175.900 0.325 0.000 1.034 221 Y CA -1.605 56.612 58.100 0.193 0.000 1.057 221 Y CB 1.348 39.847 38.460 0.065 0.000 1.220 221 Y HN 0.742 nan 8.280 nan 0.000 0.440 222 Y N 7.350 127.366 120.300 -0.474 0.000 2.365 222 Y HA 0.291 4.841 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 0.704 39.085 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 0.822 176.448 176.117 -0.818 0.000 1.129 223 I CA 1.533 62.384 61.300 -0.748 0.000 1.402 223 I CB -0.752 36.780 38.000 -0.779 0.000 1.069 223 I HN 0.596 nan 8.210 nan 0.000 0.424 224 Y N -0.062 119.748 120.300 -0.817 0.000 2.583 224 Y HA 0.254 4.804 4.550 -0.000 0.000 0.294 224 Y C 0.777 176.630 175.900 -0.080 0.000 1.170 224 Y CA -0.661 57.199 58.100 -0.401 0.000 1.265 224 Y CB -0.732 37.516 38.460 -0.354 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 0.036 4.776 4.740 -0.000 0.000 0.243 225 N C 0.642 176.189 175.510 0.062 0.000 1.041 225 N CA 0.156 53.254 53.050 0.080 0.000 0.940 225 N CB 0.656 39.123 38.487 -0.033 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 1.318 57.757 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 1.161 177.801 176.600 0.066 0.000 1.048 227 K CA 0.922 57.240 56.287 0.051 0.000 0.926 227 K CB -0.316 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 0.146 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 -0.622 44.603 45.100 0.208 0.000 0.922 228 G HN 0.143 nan 8.290 nan 0.000 0.514 229 L N 1.385 122.601 121.223 -0.012 0.000 2.342 229 L HA 0.526 4.866 4.340 -0.000 0.000 0.285 229 L C 0.668 177.512 176.870 -0.045 0.000 1.095 229 L CA -0.109 54.696 54.840 -0.059 0.000 0.843 229 L CB -0.196 41.660 42.059 -0.339 0.000 1.201 229 L HN 0.504 nan 8.230 nan 0.000 0.445 230 E N 4.180 124.390 120.200 0.017 0.000 2.229 230 E HA 0.440 4.790 4.350 -0.000 0.000 0.283 230 E C -0.991 175.636 176.600 0.046 0.000 1.030 230 E CA -0.535 55.879 56.400 0.024 0.000 0.836 230 E CB 1.758 31.465 29.700 0.012 0.000 1.068 230 E HN 0.398 nan 8.360 nan 0.000 0.401 231 V N 2.881 122.843 119.914 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 0.042 0.000 1.051 231 V CA -0.792 61.555 62.300 0.077 0.000 0.893 231 V CB 2.280 34.186 31.823 0.138 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 -0.348 174.348 174.700 -0.005 0.000 0.982 232 T CA -0.291 61.812 62.100 0.005 0.000 0.978 232 T CB 0.875 69.743 68.868 0.000 0.000 0.930 232 T HN 0.332 nan 8.240 nan 0.000 0.447 233 I N 4.019 124.581 120.570 -0.013 0.000 2.307 233 I HA 0.252 4.422 4.170 -0.000 0.000 0.287 233 I C 0.469 176.574 176.117 -0.020 0.000 1.054 233 I CA -0.463 60.825 61.300 -0.021 0.000 1.218 233 I CB 0.184 38.164 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 0.173 174.867 174.700 -0.010 0.000 0.970 234 T CA -0.485 61.606 62.100 -0.015 0.000 0.980 234 T CB 1.515 70.377 68.868 -0.010 0.000 0.924 234 T HN 0.692 nan 8.240 nan 0.000 0.456 235 A N 4.519 127.324 122.820 -0.026 0.000 2.335 235 A HA 0.812 5.132 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 -1.114 50.914 52.037 -0.016 0.000 0.757 235 A CB 1.016 20.009 19.000 -0.013 0.000 1.188 235 A HN 0.917 nan 8.150 nan 0.000 0.460 236 R N 1.344 121.803 120.500 -0.068 0.000 2.698 236 R HA 0.746 5.086 4.340 -0.000 0.000 0.275 236 R C -1.450 174.768 176.300 -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 -0.035 0.000 1.218 236 R HN 0.315 nan 8.270 nan 0.000 0.462 237 F N 1.484 121.341 119.950 -0.155 0.000 2.535 237 F HA 0.067 4.594 4.527 -0.000 0.000 0.332 237 F C 1.886 177.462 175.800 -0.375 0.000 1.208 237 F CA -0.131 57.654 58.000 -0.359 0.000 1.330 237 F CB 0.369 38.768 39.000 -1.002 0.000 1.167 237 F HN 0.441 nan 8.300 nan 0.000 0.597 238 L N 0.732 121.891 121.223 -0.107 0.000 2.191 238 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 238 L C 1.654 178.541 176.870 0.028 0.000 1.103 238 L CA 1.209 56.049 54.840 0.000 0.000 0.769 238 L CB -0.662 41.461 42.059 0.107 0.000 0.908 238 L HN 0.718 nan 8.230 nan 0.000 0.438 239 Y N -1.814 118.589 120.300 0.171 0.000 2.471 239 Y HA 0.455 5.005 4.550 -0.000 0.000 0.286 239 Y C 1.632 177.597 175.900 0.108 0.000 1.188 239 Y CA 0.127 58.291 58.100 0.108 0.000 1.286 239 Y CB -0.485 38.012 38.460 0.062 0.000 1.072 239 Y HN 0.108 nan 8.280 nan 0.000 0.517 240 G N -0.400 108.428 108.800 0.047 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 0.095 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 1.979 122.479 120.400 0.168 0.000 2.469 241 K HA 0.227 4.547 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 0.565 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 4.505 4.320 -0.000 0.000 0.259 242 K C -0.035 176.611 176.600 0.076 0.000 1.001 242 K CA -0.476 55.862 56.287 0.085 0.000 0.927 242 K CB 0.570 33.104 32.500 0.056 0.000 0.969 242 K HN 0.141 nan 8.250 nan 0.000 0.490 243 V N 2.241 122.062 119.914 -0.154 0.000 2.513 243 V HA 0.157 4.277 4.120 -0.000 0.000 0.299 243 V C -0.404 175.578 176.094 -0.188 0.000 1.035 243 V CA -0.709 61.360 62.300 -0.385 0.000 0.889 243 V CB 1.685 33.019 31.823 -0.814 0.000 0.988 243 V HN 0.641 nan 8.190 nan 0.000 0.440 244 E N 3.028 123.173 120.200 -0.092 0.000 2.145 244 E HA 0.733 5.083 4.350 -0.000 0.000 0.270 244 E C 0.169 176.770 176.600 0.003 0.000 0.906 244 E CA -0.029 56.396 56.400 0.041 0.000 0.761 244 E CB 2.101 31.895 29.700 0.156 0.000 1.116 244 E HN 0.940 nan 8.360 nan 0.000 0.408 245 G N 1.364 110.062 108.800 -0.171 0.000 2.435 245 G HA2 0.351 4.311 3.960 -0.000 0.000 0.296 245 G HA3 0.351 4.311 3.960 -0.000 0.000 0.296 245 G C -1.156 173.434 174.900 -0.516 0.000 1.240 245 G CA -0.452 44.260 45.100 -0.646 0.000 0.872 245 G HN 0.284 nan 8.290 nan 0.000 0.480 246 T N 0.264 114.561 114.554 -0.429 0.000 2.861 246 T HA 0.750 5.100 4.350 -0.000 0.000 0.287 246 T C -0.174 174.356 174.700 -0.282 0.000 1.003 246 T CA 0.299 62.205 62.100 -0.323 0.000 0.977 246 T CB 1.553 70.225 68.868 -0.328 0.000 0.996 246 T HN 1.302 nan 8.240 nan 0.000 0.448 247 A N 2.350 124.977 122.820 -0.322 0.000 2.340 247 A HA 0.883 5.203 4.320 -0.000 0.000 0.331 247 A C -1.226 176.110 177.584 -0.414 0.000 1.140 247 A CA -0.698 51.211 52.037 -0.214 0.000 0.801 247 A CB 0.648 19.585 19.000 -0.104 0.000 1.234 247 A HN 0.767 nan 8.150 nan 0.000 0.469 248 F N 1.700 121.626 119.950 -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 1.944 40.926 39.000 -0.031 0.000 1.282 248 F HN 0.381 nan 8.300 nan 0.000 0.450 249 V N 6.167 126.092 119.914 0.018 0.000 2.483 249 V HA 0.670 4.790 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 33.345 31.823 -0.185 0.000 0.986 249 V HN 0.757 nan 8.190 nan 0.000 0.447 250 I N 4.984 125.379 120.570 -0.292 0.000 3.145 250 I HA 0.653 4.823 4.170 -0.000 0.000 0.313 250 I C -1.305 174.473 176.117 -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 40.396 38.000 -0.072 0.000 1.236 250 I HN 0.697 nan 8.210 nan 0.000 0.453 251 F N 1.507 121.347 119.950 -0.184 0.000 2.782 251 F HA 0.924 5.451 4.527 -0.000 0.000 0.366 251 F C 0.521 175.992 175.800 -0.548 0.000 1.171 251 F CA -0.366 57.425 58.000 -0.348 0.000 1.064 251 F CB 1.753 40.594 39.000 -0.265 0.000 1.449 251 F HN 0.477 nan 8.300 nan 0.000 0.520 252 G N -0.030 108.472 108.800 -0.497 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 -0.328 0.000 1.498 252 G CA -0.926 43.847 45.100 -0.544 0.000 0.847 252 G HN 0.530 nan 8.290 nan 0.000 0.594 253 I N 0.387 120.979 120.570 0.038 0.000 2.493 253 I HA 0.511 4.681 4.170 -0.000 0.000 0.298 253 I C 0.107 176.383 176.117 0.264 0.000 0.998 253 I CA -0.751 60.629 61.300 0.134 0.000 1.137 253 I CB 2.183 40.216 38.000 0.055 0.000 1.310 253 I HN 0.550 nan 8.210 nan 0.000 0.445 254 Q N 3.831 123.767 119.800 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 0.146 0.000 0.853 254 Q CB 2.112 30.919 28.738 0.114 0.000 1.327 254 Q HN 0.539 nan 8.270 nan 0.000 0.449 255 D N 2.139 122.571 120.400 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 0.026 0.000 1.282 255 D CA 0.763 54.787 54.000 0.040 0.000 0.927 255 D CB 0.393 41.215 40.800 0.037 0.000 1.267 255 D HN 0.803 nan 8.370 nan 0.000 0.531 256 G N 4.106 112.922 108.800 0.025 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 0.006 0.000 1.380 256 G CA 0.923 46.034 45.100 0.017 0.000 0.933 256 G HN 0.497 nan 8.290 nan 0.000 0.731 257 E N -0.076 120.123 120.200 -0.000 0.000 2.603 257 E HA 0.267 4.617 4.350 -0.000 0.000 0.218 257 E C 0.756 177.343 176.600 -0.022 0.000 0.878 257 E CA 0.394 56.785 56.400 -0.015 0.000 1.348 257 E CB 0.539 30.231 29.700 -0.013 0.000 1.318 257 E HN 0.610 nan 8.360 nan 0.000 0.673 258 Q N 1.535 121.331 119.800 -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 0.010 0.000 0.915 258 Q CA -0.354 55.449 55.803 -0.001 0.000 0.915 258 Q CB 0.816 29.561 28.738 0.011 0.000 1.204 258 Q HN -0.046 nan 8.270 nan 0.000 0.421 259 R N 3.344 123.849 120.500 0.009 0.000 2.562 259 R HA 0.513 4.853 4.340 -0.000 0.000 0.298 259 R C -0.832 175.541 176.300 0.121 0.000 0.961 259 R CA -0.840 55.299 56.100 0.064 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 2.068 122.748 120.570 0.183 0.000 2.405 260 I HA 0.131 4.301 4.170 -0.000 0.000 0.280 260 I C 0.486 176.685 176.117 0.137 0.000 1.027 260 I CA -0.311 61.064 61.300 0.126 0.000 1.161 260 I CB 1.085 39.131 38.000 0.077 0.000 1.300 260 I HN 0.539 nan 8.210 nan 0.000 0.463 261 S N 6.716 122.497 115.700 0.135 0.000 2.573 261 S HA 0.413 4.883 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 58.105 58.200 0.096 0.000 1.034 261 S CB 0.421 63.681 63.200 0.100 0.000 0.879 261 S HN 0.461 nan 8.310 nan 0.000 0.528 262 L N 6.527 127.754 121.223 0.008 0.000 2.387 262 L HA 0.338 4.678 4.340 -0.000 0.000 0.259 262 L C -1.445 175.440 176.870 0.025 0.000 1.050 262 L CA -1.714 53.130 54.840 0.007 0.000 0.922 262 L CB 1.386 43.438 42.059 -0.011 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 1.224 64.341 63.100 0.028 0.000 0.808 263 P CB 0.450 32.163 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 0.194 56.602 56.400 0.015 0.000 0.867 264 E CB 0.017 29.717 29.700 -0.001 0.000 0.924 264 E HN 0.240 nan 8.360 nan 0.000 0.502 265 S N -0.442 115.288 115.700 0.050 0.000 2.559 265 S HA 0.093 4.563 4.470 -0.000 0.000 0.226 265 S C 0.432 175.136 174.600 0.173 0.000 1.000 265 S CA -0.611 57.650 58.200 0.102 0.000 0.948 265 S CB 0.097 63.385 63.200 0.146 0.000 0.870 265 S HN 0.155 nan 8.310 nan 0.000 0.497 266 L N 3.553 124.841 121.223 0.108 0.000 2.534 266 L HA 0.377 4.717 4.340 -0.000 0.000 0.271 266 L C -0.380 176.545 176.870 0.092 0.000 1.178 266 L CA 0.706 55.604 54.840 0.096 0.000 0.907 266 L CB 0.009 42.116 42.059 0.080 0.000 1.164 266 L HN 0.082 nan 8.230 nan 0.000 0.482 267 K N 5.351 125.802 120.400 0.085 0.000 2.340 267 K HA 0.467 4.787 4.320 -0.000 0.000 0.244 267 K C -0.841 175.752 176.600 -0.012 0.000 0.973 267 K CA -0.767 55.548 56.287 0.047 0.000 0.828 267 K CB 2.260 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 2.901 123.354 120.500 -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 -0.009 30.135 30.300 -0.259 0.000 1.163 268 R HN 0.687 nan 8.270 nan 0.000 0.573 269 I N 0.318 120.765 120.570 -0.205 0.000 2.428 269 I HA 0.650 4.820 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 -2.962 58.256 61.300 -0.136 0.000 1.260 269 I CB 1.502 39.453 38.000 -0.081 0.000 1.389 269 I HN 0.228 nan 8.210 nan 0.000 0.484 270 P HA 0.230 nan 4.420 nan 0.000 0.272 270 P C -0.748 176.513 177.300 -0.064 0.000 1.230 270 P CA -0.164 62.891 63.100 -0.075 0.000 0.788 270 P CB 0.562 32.251 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 0.381 176.493 176.117 -0.008 0.000 1.057 271 I CA -0.279 60.990 61.300 -0.052 0.000 1.163 271 I CB 0.024 37.964 38.000 -0.100 0.000 1.288 271 I HN 0.300 nan 8.210 nan 0.000 0.479 272 E N 3.423 123.623 120.200 -0.001 0.000 2.204 272 E HA 0.200 4.550 4.350 -0.000 0.000 0.276 272 E C -0.027 176.572 176.600 -0.000 0.000 0.974 272 E CA -0.454 55.952 56.400 0.010 0.000 0.815 272 E CB 1.326 31.031 29.700 0.008 0.000 1.119 272 E HN 0.409 nan 8.360 nan 0.000 0.393 273 D N 1.519 121.923 120.400 0.006 0.000 2.983 273 D HA -0.194 4.446 4.640 -0.000 0.000 0.225 273 D C 0.602 176.901 176.300 -0.003 0.000 1.174 273 D CA 1.642 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 -1.465 107.322 108.800 -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 1.072 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 0.887 5.357 4.470 -0.000 0.000 0.274 275 S C 0.009 174.592 174.600 -0.027 0.000 1.124 275 S CA 0.633 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 1.215 110.000 108.800 -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 -2.003 172.887 174.900 -0.017 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 -0.176 120.016 120.200 -0.014 0.000 2.241 277 E HA 0.566 4.916 4.350 -0.000 0.000 0.263 277 E C -1.338 175.268 176.600 0.009 0.000 0.882 277 E CA -0.601 55.799 56.400 -0.000 0.000 0.769 277 E CB 2.043 31.743 29.700 -0.000 0.000 1.185 277 E HN 0.567 nan 8.360 nan 0.000 0.415 278 V N 4.881 124.816 119.914 0.034 0.000 2.789 278 V HA 0.758 4.878 4.120 -0.000 0.000 0.311 278 V C -1.456 174.699 176.094 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 33.908 31.823 0.096 0.000 1.009 278 V HN 0.519 nan 8.190 nan 0.000 0.426 279 V N 6.645 126.605 119.914 0.075 0.000 2.709 279 V HA 0.500 4.620 4.120 -0.000 0.000 0.308 279 V C -0.718 175.312 176.094 -0.108 0.000 1.062 279 V CA -0.664 61.638 62.300 0.004 0.000 0.901 279 V CB 1.722 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 5.419 126.446 121.223 -0.326 0.000 2.287 280 L HA 0.525 4.865 4.340 -0.000 0.000 0.280 280 L C 0.691 177.347 176.870 -0.357 0.000 1.055 280 L CA 0.052 54.530 54.840 -0.604 0.000 0.863 280 L CB 0.963 42.197 42.059 -1.375 0.000 1.245 280 L HN 0.817 nan 8.230 nan 0.000 0.432 281 S N 3.236 118.806 115.700 -0.215 0.000 2.558 281 S HA 0.063 4.533 4.470 -0.000 0.000 0.288 281 S C 1.287 175.808 174.600 -0.130 0.000 1.318 281 S CA -0.071 58.056 58.200 -0.123 0.000 1.056 281 S CB 0.555 63.709 63.200 -0.077 0.000 0.853 281 S HN 0.819 nan 8.310 nan 0.000 0.505 282 R N 1.392 121.861 120.500 -0.051 0.000 2.159 282 R HA -0.154 4.186 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 1.591 57.679 56.100 -0.020 0.000 0.982 282 R CB -0.267 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 0.181 120.555 120.400 -0.044 0.000 2.009 283 K HA -0.099 4.221 4.320 -0.000 0.000 0.210 283 K C 1.740 178.306 176.600 -0.055 0.000 1.049 283 K CA 1.952 58.215 56.287 -0.040 0.000 0.929 283 K CB -0.414 32.068 32.500 -0.030 0.000 0.714 283 K HN 0.070 nan 8.250 nan 0.000 0.440 284 V N 1.111 120.978 119.914 -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 63.795 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 0.028 121.166 121.223 -0.141 0.000 1.989 285 L HA -0.154 4.186 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 2.002 56.750 54.840 -0.154 0.000 0.749 285 L CB -0.610 41.320 42.059 -0.216 0.000 0.890 285 L HN 0.206 nan 8.230 nan 0.000 0.431 286 L N -0.310 120.871 121.223 -0.071 0.000 2.131 286 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 286 L C 2.603 179.449 176.870 -0.039 0.000 1.092 286 L CA 1.466 56.276 54.840 -0.049 0.000 0.759 286 L CB -1.620 40.416 42.059 -0.039 0.000 0.903 286 L HN 0.515 nan 8.230 nan 0.000 0.435 287 D N -0.103 120.273 120.400 -0.040 0.000 2.312 287 D HA 0.013 4.653 4.640 -0.000 0.000 0.211 287 D C 2.182 178.466 176.300 -0.028 0.000 0.964 287 D CA 0.906 54.888 54.000 -0.030 0.000 0.877 287 D CB -0.629 40.154 40.800 -0.028 0.000 0.924 287 D HN 0.454 nan 8.370 nan 0.000 0.515 288 G N -0.208 108.570 108.800 -0.037 0.000 2.443 288 G HA2 0.233 4.193 3.960 -0.000 0.000 0.219 288 G HA3 0.233 4.193 3.960 -0.000 0.000 0.219 288 G C 1.157 176.046 174.900 -0.018 0.000 1.131 288 G CA 1.584 46.666 45.100 -0.030 0.000 0.775 288 G HN 0.787 nan 8.290 nan 0.000 0.547 289 V N -3.546 116.356 119.914 -0.020 0.000 3.352 289 V HA 0.681 4.801 4.120 -0.000 0.000 0.299 289 V C -0.411 175.676 176.094 -0.011 0.000 1.228 289 V CA -1.174 61.118 62.300 -0.012 0.000 1.017 289 V CB 1.255 33.071 31.823 -0.013 0.000 1.237 289 V HN 0.067 nan 8.190 nan 0.000 0.472 294 A N 0.781 123.564 122.820 -0.062 0.000 1.971 294 A HA -0.251 4.069 4.320 -0.000 0.000 0.222 294 A C 1.615 179.126 177.584 -0.122 0.000 1.182 294 A CA 1.929 53.898 52.037 -0.114 0.000 0.649 294 A CB -0.065 18.816 19.000 -0.199 0.000 0.818 294 A HN 0.378 nan 8.150 nan 0.000 0.458 295 E N 0.198 120.346 120.200 -0.087 0.000 2.401 295 E HA -0.121 4.229 4.350 -0.000 0.000 0.199 295 E C 1.222 177.804 176.600 -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 0.636 nan 8.360 nan 0.000 0.523 296 D N -0.174 120.210 120.400 -0.027 0.000 2.137 296 D HA -0.043 4.597 4.640 -0.000 0.000 0.202 296 D C 1.682 177.977 176.300 -0.009 0.000 0.970 296 D CA 0.604 54.597 54.000 -0.011 0.000 0.837 296 D CB -0.122 40.673 40.800 -0.008 0.000 0.981 296 D HN 0.179 nan 8.370 nan 0.000 0.475 297 L N 0.694 121.905 121.223 -0.020 0.000 2.353 297 L HA -0.055 4.285 4.340 -0.000 0.000 0.220 297 L C 0.440 177.312 176.870 0.005 0.000 1.133 297 L CA 0.097 54.933 54.840 -0.007 0.000 0.798 297 L CB -0.308 41.742 42.059 -0.015 0.000 0.922 297 L HN -0.135 nan 8.230 nan 0.000 0.445 298 V N 1.092 121.000 119.914 -0.011 0.000 2.509 298 V HA 0.159 4.279 4.120 -0.000 0.000 0.297 298 V C 1.292 177.399 176.094 0.022 0.000 1.014 298 V CA 1.287 63.589 62.300 0.002 0.000 1.127 298 V CB 0.187 32.004 31.823 -0.010 0.000 0.925 298 V HN 0.643 nan 8.190 nan 0.000 0.480 299 G N 4.317 113.139 108.800 0.038 0.000 2.376 299 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.208 299 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.208 299 G C 0.412 175.344 174.900 0.053 0.000 1.032 299 G CA 0.007 45.133 45.100 0.044 0.000 0.641 299 G HN 0.584 nan 8.290 nan 0.000 0.503 300 K N 1.025 121.456 120.400 0.052 0.000 2.136 300 K HA 0.563 4.883 4.320 -0.000 0.000 0.237 300 K C 0.605 177.252 176.600 0.080 0.000 1.048 300 K CA 0.561 56.884 56.287 0.060 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 -0.347 115.408 115.700 0.092 0.000 2.599 301 S HA 0.590 5.060 4.470 -0.000 0.000 0.287 301 S C -0.822 173.855 174.600 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 0.378 nan 8.310 nan 0.000 0.482 302 L N 2.013 123.309 121.223 0.122 0.000 2.334 302 L HA 0.663 5.003 4.340 -0.000 0.000 0.273 302 L C -1.212 175.764 176.870 0.175 0.000 1.013 302 L CA -1.102 53.794 54.840 0.094 0.000 0.816 302 L CB 1.579 43.636 42.059 -0.003 0.000 1.278 302 L HN 0.929 nan 8.230 nan 0.000 0.431 303 Y N 0.458 120.802 120.300 0.074 0.000 2.442 303 Y HA 0.774 5.324 4.550 -0.000 0.000 0.344 303 Y C -1.085 174.821 175.900 0.009 0.000 0.976 303 Y CA -1.294 56.831 58.100 0.041 0.000 1.040 303 Y CB 1.235 39.707 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 -0.336 175.688 176.094 -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 33.176 31.823 -0.267 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 -0.191 0.000 2.667 305 S HA 0.751 5.221 4.470 -0.000 0.000 0.304 305 S C -0.167 174.372 174.600 -0.103 0.000 1.135 305 S CA -0.199 57.962 58.200 -0.066 0.000 1.125 305 S CB 0.607 63.826 63.200 0.031 0.000 0.996 305 S HN 1.078 nan 8.310 nan 0.000 0.474 306 A N 3.411 126.186 122.820 -0.075 0.000 2.282 306 A HA 0.856 5.176 4.320 -0.000 0.000 0.319 306 A C -0.113 177.479 177.584 0.014 0.000 1.121 306 A CA -0.572 51.439 52.037 -0.044 0.000 0.836 306 A CB 1.013 19.982 19.000 -0.052 0.000 1.146 306 A HN 0.662 nan 8.150 nan 0.000 0.494 307 T N 1.113 115.712 114.554 0.075 0.000 3.348 307 T HA 0.388 4.738 4.350 -0.000 0.000 0.328 307 T C -0.935 173.885 174.700 0.200 0.000 0.913 307 T CA -0.289 61.882 62.100 0.119 0.000 1.043 307 T CB 0.703 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 4.880 124.894 119.914 0.166 0.000 2.509 308 V HA 0.571 4.691 4.120 -0.000 0.000 0.284 308 V C 0.006 176.239 176.094 0.232 0.000 1.047 308 V CA -0.635 61.772 62.300 0.178 0.000 0.952 308 V CB 1.326 33.276 31.823 0.212 0.000 0.988 308 V HN 0.757 nan 8.190 nan 0.000 0.469 309 I N 5.101 125.749 120.570 0.130 0.000 2.447 309 I HA 0.372 4.542 4.170 -0.000 0.000 0.287 309 I C -0.176 175.892 176.117 -0.081 0.000 1.023 309 I CA -0.549 60.812 61.300 0.102 0.000 1.083 309 I CB 1.873 39.968 38.000 0.158 0.000 1.245 309 I HN 0.416 nan 8.210 nan 0.000 0.434 310 L N 4.924 126.084 121.223 -0.105 0.000 2.492 310 L HA 0.022 4.362 4.340 -0.000 0.000 0.280 310 L C 1.125 177.924 176.870 -0.118 0.000 1.240 310 L CA 0.060 54.791 54.840 -0.181 0.000 0.831 310 L CB 0.067 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 -0.736 118.323 119.070 -0.018 0.000 2.561 311 H HA -0.085 4.471 4.556 -0.000 0.000 0.278 311 H C 1.869 177.212 175.328 0.025 0.000 1.014 311 H CA 1.001 57.053 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 -1.529 114.244 115.700 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 63.547 63.200 0.097 0.000 0.789 312 S HN 0.519 nan 8.310 nan 0.000 0.513 313 G N 1.057 109.901 108.800 0.073 0.000 2.225 313 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.267 313 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.267 313 G C 0.737 175.683 174.900 0.076 0.000 1.024 313 G CA 0.633 45.774 45.100 0.069 0.000 0.784 313 G HN 0.589 nan 8.290 nan 0.000 0.507 314 S N -0.907 114.849 115.700 0.093 0.000 2.427 314 S HA 0.205 4.675 4.470 -0.000 0.000 0.224 314 S C 0.807 175.483 174.600 0.127 0.000 1.047 314 S CA 0.959 59.220 58.200 0.102 0.000 0.953 314 S CB 0.332 63.598 63.200 0.110 0.000 0.824 314 S HN 0.631 nan 8.310 nan 0.000 0.502 315 D N -0.208 120.299 120.400 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 0.269 0.000 1.014 315 D CA -0.504 53.639 54.000 0.239 0.000 0.919 315 D CB 1.518 42.548 40.800 0.383 0.000 1.366 315 D HN 0.066 nan 8.370 nan 0.000 0.490 316 M N 2.272 121.991 119.600 0.198 0.000 2.322 316 M HA 0.480 4.960 4.480 -0.000 0.000 0.285 316 M C -2.226 174.070 176.300 -0.006 0.000 1.119 316 M CA -0.561 54.832 55.300 0.155 0.000 0.953 316 M CB 1.707 34.359 32.600 0.087 0.000 1.701 316 M HN 0.142 nan 8.290 nan 0.000 0.479 317 V N 4.034 123.922 119.914 -0.044 0.000 2.656 317 V HA 0.488 4.608 4.120 -0.000 0.000 0.307 317 V C -0.986 175.061 176.094 -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 33.730 31.823 -0.600 0.000 0.999 317 V HN 0.862 nan 8.190 nan 0.000 0.426 318 Q N 2.661 122.414 119.800 -0.079 0.000 2.341 318 Q HA 0.760 5.100 4.340 -0.000 0.000 0.268 318 Q C -0.313 175.658 176.000 -0.048 0.000 1.013 318 Q CA -0.319 55.460 55.803 -0.040 0.000 0.798 318 Q CB 2.309 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 -0.751 176.822 177.584 -0.019 0.000 1.119 319 A CA -0.406 51.612 52.037 -0.032 0.000 0.880 319 A CB 1.505 20.486 19.000 -0.030 0.000 1.294 319 A HN 0.731 nan 8.150 nan 0.000 0.493 320 E N -0.537 119.657 120.200 -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 0.022 0.000 0.948 320 E CA -0.568 55.837 56.400 0.010 0.000 0.804 320 E CB 1.294 31.006 29.700 0.020 0.000 1.265 320 E HN 0.590 nan 8.360 nan 0.000 0.406 321 R N 2.286 122.807 120.500 0.034 0.000 2.343 321 R HA 0.516 4.856 4.340 -0.000 0.000 0.320 321 R C -1.514 174.846 176.300 0.099 0.000 0.956 321 R CA -0.232 55.898 56.100 0.050 0.000 0.836 321 R CB 1.296 31.618 30.300 0.036 0.000 1.151 321 R HN 0.427 nan 8.270 nan 0.000 0.450 322 S N 2.081 117.836 115.700 0.093 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 58.024 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 1.153 nan 8.310 nan 0.000 0.483 323 G N 1.219 110.090 108.800 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 -0.148 174.821 174.900 0.115 0.000 1.012 323 G CA -0.423 44.737 45.100 0.101 0.000 0.677 323 G HN 0.863 nan 8.290 nan 0.000 0.506 324 I N 2.389 123.037 120.570 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 0.159 0.000 1.126 324 I CA -1.521 59.864 61.300 0.140 0.000 1.362 324 I CB 0.525 38.600 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 -0.380 177.050 177.300 0.216 0.000 1.216 325 P CA -0.027 63.175 63.100 0.169 0.000 0.776 325 P CB 0.648 32.437 31.700 0.148 0.000 0.881 326 I N 3.457 124.128 120.570 0.168 0.000 2.412 326 I HA 0.236 4.406 4.170 -0.000 0.000 0.279 326 I C 0.223 176.403 176.117 0.105 0.000 1.063 326 I CA -0.717 60.693 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 0.105 nan 8.210 nan 0.000 0.479 327 V N 1.333 121.307 119.914 0.100 0.000 3.074 327 V HA 0.530 4.650 4.120 -0.000 0.000 0.314 327 V C 0.887 177.025 176.094 0.073 0.000 1.117 327 V CA -0.396 61.931 62.300 0.044 0.000 1.014 327 V CB 1.490 33.305 31.823 -0.014 0.000 1.057 327 V HN 0.652 nan 8.190 nan 0.000 0.438 328 T N -2.195 112.410 114.554 0.085 0.000 3.081 328 T HA 0.187 4.537 4.350 -0.000 0.000 0.255 328 T C 0.784 175.651 174.700 0.277 0.000 1.113 328 T CA 0.857 63.082 62.100 0.208 0.000 1.082 328 T CB -0.012 68.963 68.868 0.178 0.000 0.939 328 T HN 1.022 nan 8.240 nan 0.000 0.506 329 S N 1.351 117.095 115.700 0.072 0.000 2.557 329 S HA 0.542 5.012 4.470 -0.000 0.000 0.291 329 S C -2.601 171.829 174.600 -0.282 0.000 1.116 329 S CA -1.530 56.651 58.200 -0.033 0.000 0.992 329 S CB 1.917 65.117 63.200 -0.001 0.000 1.028 329 S HN -0.081 nan 8.310 nan 0.000 0.484 330 P HA 0.140 nan 4.420 nan 0.000 0.239 330 P C -0.992 175.617 177.300 -1.152 0.000 1.184 330 P CA 0.875 63.289 63.100 -1.143 0.000 0.760 330 P CB -0.177 30.964 31.700 -0.932 0.000 0.884 331 Y N -1.788 118.342 120.300 -0.283 0.000 2.638 331 Y HA 0.561 5.111 4.550 -0.000 0.000 0.339 331 Y C 0.284 176.082 175.900 -0.170 0.000 1.084 331 Y CA -0.981 56.999 58.100 -0.200 0.000 1.068 331 Y CB 1.521 39.886 38.460 -0.157 0.000 1.294 331 Y HN -0.350 nan 8.280 nan 0.000 0.480 332 Q N 1.318 121.131 119.800 0.021 0.000 2.345 332 Q HA 0.661 5.001 4.340 -0.000 0.000 0.275 332 Q C -1.661 174.225 176.000 -0.190 0.000 1.063 332 Q CA -0.759 54.987 55.803 -0.095 0.000 0.819 332 Q CB 3.436 32.150 28.738 -0.041 0.000 1.356 332 Q HN 0.530 nan 8.270 nan 0.000 0.418 333 I N 1.726 122.082 120.570 -0.356 0.000 2.433 333 I HA 0.421 4.591 4.170 -0.000 0.000 0.292 333 I C -1.031 174.709 176.117 -0.628 0.000 1.001 333 I CA -0.718 60.339 61.300 -0.405 0.000 1.119 333 I CB 1.393 39.173 38.000 -0.366 0.000 1.289 333 I HN 0.581 nan 8.210 nan 0.000 0.438 334 H N 5.079 124.022 119.070 -0.211 0.000 2.667 334 H HA 0.368 4.924 4.556 -0.000 0.000 0.353 334 H C -0.839 174.390 175.328 -0.166 0.000 1.072 334 H CA -0.423 55.583 56.048 -0.070 0.000 1.214 334 H CB 1.542 31.434 29.762 0.217 0.000 1.600 334 H HN 0.407 nan 8.280 nan 0.000 0.527 335 F N 1.041 121.132 119.950 0.234 0.000 2.898 335 F HA 0.077 4.604 4.527 -0.000 0.000 0.290 335 F C 1.710 177.610 175.800 0.168 0.000 1.195 335 F CA -0.186 57.919 58.000 0.174 0.000 1.387 335 F CB -0.027 39.049 39.000 0.127 0.000 0.976 335 F HN 0.595 nan 8.300 nan 0.000 0.510 336 T N -3.620 111.106 114.554 0.286 0.000 3.085 336 T HA -0.030 4.320 4.350 -0.000 0.000 0.263 336 T C 1.361 176.175 174.700 0.189 0.000 1.127 336 T CA 0.665 62.888 62.100 0.205 0.000 1.103 336 T CB -0.127 68.820 68.868 0.132 0.000 0.921 336 T HN 0.262 nan 8.240 nan 0.000 0.510 337 K N 0.914 121.404 120.400 0.150 0.000 2.414 337 K HA 0.216 4.536 4.320 -0.000 0.000 0.204 337 K C -0.426 176.243 176.600 0.115 0.000 1.026 337 K CA -0.112 56.236 56.287 0.102 0.000 1.108 337 K CB 1.004 33.424 32.500 -0.134 0.000 0.855 337 K HN 0.198 nan 8.250 nan 0.000 0.517 338 T N 2.864 117.540 114.554 0.203 0.000 2.792 338 T HA 0.287 4.637 4.350 -0.000 0.000 0.280 338 T C -2.736 172.108 174.700 0.239 0.000 0.990 338 T CA -1.944 60.274 62.100 0.197 0.000 0.960 338 T CB 1.881 70.932 68.868 0.305 0.000 0.939 338 T HN -0.162 nan 8.240 nan 0.000 0.439 339 P HA 0.078 nan 4.420 nan 0.000 0.265 339 P C 0.375 177.896 177.300 0.369 0.000 1.187 339 P CA -0.241 63.049 63.100 0.316 0.000 0.766 339 P CB 0.509 32.412 31.700 0.338 0.000 0.820 340 K N 1.922 122.435 120.400 0.188 0.000 2.446 340 K HA 0.167 4.487 4.320 -0.000 0.000 0.203 340 K C -0.473 175.833 176.600 -0.489 0.000 1.027 340 K CA 0.119 56.317 56.287 -0.149 0.000 1.166 340 K CB -0.167 32.149 32.500 -0.307 0.000 0.869 340 K HN 0.522 nan 8.250 nan 0.000 0.504 341 Y N 0.267 120.697 120.300 0.217 0.000 2.433 341 Y HA 0.305 4.855 4.550 -0.000 0.000 0.337 341 Y C -0.240 175.794 175.900 0.224 0.000 1.026 341 Y CA -1.829 56.358 58.100 0.146 0.000 1.037 341 Y CB 1.245 39.787 38.460 0.136 0.000 1.245 341 Y HN -0.017 nan 8.280 nan 0.000 0.443 342 F N -0.266 119.712 119.950 0.047 0.000 2.523 342 F HA 0.902 5.429 4.527 -0.000 0.000 0.329 342 F C -1.052 174.784 175.800 0.060 0.000 1.061 342 F CA -1.603 56.395 58.000 -0.004 0.000 0.967 342 F CB 1.221 39.924 39.000 -0.496 0.000 1.218 342 F HN 0.107 nan 8.300 nan 0.000 0.480 343 K N 2.748 123.212 120.400 0.106 0.000 2.253 343 K HA 0.400 4.720 4.320 -0.000 0.000 0.277 343 K C -2.740 173.750 176.600 -0.184 0.000 1.053 343 K CA -2.027 54.137 56.287 -0.205 0.000 0.892 343 K CB 0.770 33.208 32.500 -0.104 0.000 1.102 343 K HN 0.288 nan 8.250 nan 0.000 0.469 344 P HA -0.026 nan 4.420 nan 0.000 0.257 344 P C 0.512 177.750 177.300 -0.103 0.000 1.189 344 P CA 0.898 63.922 63.100 -0.126 0.000 0.780 344 P CB 0.421 31.973 31.700 -0.246 0.000 0.772 345 G N 2.458 111.264 108.800 0.010 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 -0.071 174.792 174.900 -0.062 0.000 0.989 345 G CA -0.311 44.772 45.100 -0.028 0.000 0.676 345 G HN 0.460 nan 8.290 nan 0.000 0.522 346 M N -0.329 119.229 119.600 -0.071 0.000 2.518 346 M HA 0.416 4.896 4.480 -0.000 0.000 0.300 346 M C -2.798 173.408 176.300 -0.156 0.000 1.175 346 M CA -2.209 53.009 55.300 -0.137 0.000 0.890 346 M CB 2.185 34.674 32.600 -0.186 0.000 1.710 346 M HN -0.178 nan 8.290 nan 0.000 0.453 347 P HA 0.008 nan 4.420 nan 0.000 0.260 347 P C -1.262 175.952 177.300 -0.143 0.000 1.207 347 P CA 0.330 63.331 63.100 -0.166 0.000 0.780 347 P CB -0.179 31.423 31.700 -0.164 0.000 0.789 348 F N 4.197 124.079 119.950 -0.114 0.000 2.410 348 F HA 0.289 4.816 4.527 -0.000 0.000 0.349 348 F C -0.001 175.815 175.800 0.027 0.000 1.117 348 F CA -0.638 57.362 58.000 0.002 0.000 1.104 348 F CB 0.705 39.715 39.000 0.017 0.000 1.122 348 F HN 0.174 nan 8.300 nan 0.000 0.483 349 D N 6.428 126.451 120.400 -0.628 0.000 2.225 349 D HA 0.359 4.999 4.640 -0.000 0.000 0.248 349 D C -0.900 175.005 176.300 -0.658 0.000 1.096 349 D CA 0.037 53.758 54.000 -0.466 0.000 0.863 349 D CB 1.690 42.330 40.800 -0.265 0.000 1.156 349 D HN 0.328 nan 8.370 nan 0.000 0.450 350 L N 2.594 123.655 121.223 -0.271 0.000 2.298 350 L HA 0.329 4.669 4.340 -0.000 0.000 0.284 350 L C 0.110 176.975 176.870 -0.008 0.000 1.013 350 L CA -0.307 54.487 54.840 -0.076 0.000 0.824 350 L CB 1.238 43.361 42.059 0.107 0.000 1.221 350 L HN 0.186 nan 8.230 nan 0.000 0.418 351 M N 4.205 123.819 119.600 0.024 0.000 3.117 351 M HA 0.260 4.740 4.480 -0.000 0.000 0.292 351 M C -0.462 175.890 176.300 0.086 0.000 1.357 351 M CA -0.430 54.880 55.300 0.017 0.000 1.463 351 M CB 0.405 32.979 32.600 -0.043 0.000 1.105 351 M HN 0.140 nan 8.290 nan 0.000 0.553 352 V N 3.051 123.005 119.914 0.066 0.000 2.540 352 V HA -0.039 4.081 4.120 -0.000 0.000 0.297 352 V C -0.102 176.033 176.094 0.069 0.000 1.024 352 V CA 0.266 62.568 62.300 0.002 0.000 1.105 352 V CB -0.030 31.767 31.823 -0.043 0.000 0.938 352 V HN 0.516 nan 8.190 nan 0.000 0.482 353 F N 6.522 126.402 119.950 -0.117 0.000 2.310 353 F HA 0.521 5.048 4.527 -0.000 0.000 0.365 353 F C -0.039 175.764 175.800 0.005 0.000 1.080 353 F CA -0.804 57.175 58.000 -0.035 0.000 1.187 353 F CB 0.829 39.838 39.000 0.016 0.000 1.465 353 F HN 0.256 nan 8.300 nan 0.000 0.496 354 V N 4.426 124.163 119.914 -0.296 0.000 2.530 354 V HA 0.463 4.583 4.120 -0.000 0.000 0.282 354 V C 0.239 176.102 176.094 -0.384 0.000 1.048 354 V CA -0.015 62.120 62.300 -0.276 0.000 0.997 354 V CB 1.130 32.836 31.823 -0.195 0.000 0.987 354 V HN 0.779 nan 8.190 nan 0.000 0.477 355 T N 1.368 115.782 114.554 -0.233 0.000 2.903 355 T HA 0.483 4.833 4.350 -0.000 0.000 0.299 355 T C -0.490 174.195 174.700 -0.026 0.000 1.093 355 T CA -1.040 60.949 62.100 -0.185 0.000 1.002 355 T CB 1.618 70.335 68.868 -0.253 0.000 1.127 355 T HN 0.408 nan 8.240 nan 0.000 0.488 356 N N 2.012 120.704 118.700 -0.014 0.000 2.444 356 N HA 0.247 4.987 4.740 -0.000 0.000 0.255 356 N C -1.731 173.755 175.510 -0.040 0.000 1.255 356 N CA -1.787 51.236 53.050 -0.045 0.000 0.933 356 N CB 0.585 39.083 38.487 0.018 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 0.675 177.999 177.300 0.039 0.000 1.146 357 P CA 1.284 64.352 63.100 -0.053 0.000 0.813 357 P CB 0.192 31.826 31.700 -0.109 0.000 0.778 358 D N -2.074 118.366 120.400 0.068 0.000 2.162 358 D HA -0.014 4.626 4.640 -0.000 0.000 0.203 358 D C 1.676 178.017 176.300 0.069 0.000 0.967 358 D CA 1.815 55.864 54.000 0.082 0.000 0.840 358 D CB -0.814 40.044 40.800 0.096 0.000 0.972 358 D HN 0.280 nan 8.370 nan 0.000 0.482 359 G N -0.196 108.639 108.800 0.058 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 0.211 175.139 174.900 0.047 0.000 1.006 359 G CA 0.226 45.359 45.100 0.055 0.000 0.808 359 G HN 0.681 nan 8.290 nan 0.000 0.499 360 S N 2.554 118.284 115.700 0.050 0.000 2.549 360 S HA 0.572 5.042 4.470 -0.000 0.000 0.283 360 S C -1.923 172.684 174.600 0.012 0.000 1.320 360 S CA -0.823 57.407 58.200 0.050 0.000 1.058 360 S CB 1.485 64.721 63.200 0.059 0.000 0.882 360 S HN 0.354 nan 8.310 nan 0.000 0.498 361 P HA 0.166 nan 4.420 nan 0.000 0.267 361 P C -0.722 176.584 177.300 0.011 0.000 1.200 361 P CA -0.073 62.987 63.100 -0.067 0.000 0.772 361 P CB 0.311 32.026 31.700 0.025 0.000 0.855 362 A N 3.602 126.422 122.820 0.000 0.000 2.276 362 A HA 0.376 4.696 4.320 -0.000 0.000 0.316 362 A C -0.909 176.746 177.584 0.118 0.000 1.229 362 A CA -0.614 51.488 52.037 0.109 0.000 0.851 362 A CB 0.094 19.212 19.000 0.197 0.000 1.165 362 A HN 0.590 nan 8.150 nan 0.000 0.513 363 Y N 2.452 122.772 120.300 0.033 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 -0.013 58.094 58.100 0.010 0.000 1.179 363 Y CB 0.622 39.092 38.460 0.017 0.000 1.201 363 Y HN 0.867 nan 8.280 nan 0.000 0.483 364 R N 2.943 123.016 120.500 -0.712 0.000 2.873 364 R HA -0.122 4.218 4.340 -0.000 0.000 0.281 364 R C -1.775 174.358 176.300 -0.278 0.000 0.933 364 R CA 0.662 56.436 56.100 -0.543 0.000 0.712 364 R CB -1.339 28.649 30.300 -0.520 0.000 1.780 364 R HN 0.405 nan 8.270 nan 0.000 0.488 365 V N 3.169 122.917 119.914 -0.277 0.000 2.501 365 V HA 0.402 4.522 4.120 -0.000 0.000 0.277 365 V C -2.068 173.862 176.094 -0.273 0.000 1.004 365 V CA -1.975 60.133 62.300 -0.319 0.000 0.862 365 V CB 1.811 33.338 31.823 -0.493 0.000 1.035 365 V HN 0.236 nan 8.190 nan 0.000 0.448 366 P HA 0.174 nan 4.420 nan 0.000 0.265 366 P C -0.470 176.732 177.300 -0.163 0.000 1.187 366 P CA 0.600 63.600 63.100 -0.166 0.000 0.766 366 P CB 1.226 32.845 31.700 -0.135 0.000 0.820 367 V N -1.020 118.821 119.914 -0.122 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 -1.028 61.213 62.300 -0.098 0.000 1.029 367 V CB 1.595 33.361 31.823 -0.096 0.000 1.057 367 V HN 0.841 nan 8.190 nan 0.000 0.436 368 A N 1.077 123.875 122.820 -0.036 0.000 2.515 368 A HA 0.932 5.252 4.320 -0.000 0.000 0.299 368 A C -0.932 176.657 177.584 0.009 0.000 1.179 368 A CA -0.253 51.774 52.037 -0.017 0.000 0.656 368 A CB 1.235 20.219 19.000 -0.027 0.000 1.306 368 A HN 1.648 nan 8.150 nan 0.000 0.459 369 V N 0.120 120.040 119.914 0.009 0.000 3.096 369 V HA 0.344 4.464 4.120 -0.000 0.000 0.319 369 V C 1.644 177.741 176.094 0.005 0.000 1.082 369 V CA 0.133 62.444 62.300 0.018 0.000 1.022 369 V CB 1.353 33.182 31.823 0.011 0.000 1.103 369 V HN 1.090 nan 8.190 nan 0.000 0.455 370 Q N 1.699 121.502 119.800 0.004 0.000 1.998 370 Q HA -0.087 4.253 4.340 -0.000 0.000 0.209 370 Q C 1.218 177.212 176.000 -0.009 0.000 1.002 370 Q CA 2.273 58.074 55.803 -0.004 0.000 0.858 370 Q CB -0.964 27.768 28.738 -0.009 0.000 0.932 370 Q HN 0.984 nan 8.270 nan 0.000 0.416 371 G N -1.119 107.674 108.800 -0.012 0.000 2.531 371 G HA2 0.228 4.188 3.960 -0.000 0.000 0.253 371 G HA3 0.228 4.188 3.960 -0.000 0.000 0.253 371 G C -0.868 174.024 174.900 -0.012 0.000 1.439 371 G CA -0.049 45.044 45.100 -0.012 0.000 1.056 371 G HN 0.381 nan 8.290 nan 0.000 0.555 372 E N -0.010 120.183 120.200 -0.012 0.000 2.273 372 E HA -0.143 4.207 4.350 -0.000 0.000 0.177 372 E C 0.358 176.948 176.600 -0.016 0.000 1.511 372 E CA 0.698 57.090 56.400 -0.014 0.000 0.675 372 E CB -0.838 28.852 29.700 -0.016 0.000 1.094 372 E HN 0.521 nan 8.360 nan 0.000 0.348 373 D N -0.606 119.784 120.400 -0.016 0.000 2.265 373 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 373 D C 1.716 178.003 176.300 -0.021 0.000 0.977 373 D CA 1.710 55.699 54.000 -0.018 0.000 0.871 373 D CB -0.004 40.786 40.800 -0.017 0.000 0.925 373 D HN 0.454 nan 8.370 nan 0.000 0.485 374 T N -0.404 114.138 114.554 -0.020 0.000 2.942 374 T HA -0.035 4.315 4.350 -0.000 0.000 0.265 374 T C 0.924 175.610 174.700 -0.024 0.000 1.062 374 T CA 0.044 62.131 62.100 -0.021 0.000 1.139 374 T CB -0.088 68.769 68.868 -0.019 0.000 0.883 374 T HN -0.082 nan 8.240 nan 0.000 0.468 375 V N 2.317 122.217 119.914 -0.023 0.000 2.585 375 V HA 0.321 4.441 4.120 -0.000 0.000 0.296 375 V C -0.347 175.729 176.094 -0.030 0.000 1.035 375 V CA 0.367 62.652 62.300 -0.025 0.000 1.084 375 V CB 0.854 32.664 31.823 -0.021 0.000 0.953 375 V HN 0.576 nan 8.190 nan 0.000 0.483 376 Q N 3.718 123.498 119.800 -0.035 0.000 2.534 376 Q HA 0.711 5.051 4.340 -0.000 0.000 0.290 376 Q C -1.446 174.525 176.000 -0.048 0.000 0.991 376 Q CA -0.657 55.120 55.803 -0.044 0.000 0.783 376 Q CB 2.634 31.343 28.738 -0.048 0.000 1.470 376 Q HN 0.893 nan 8.270 nan 0.000 0.406 377 S N 0.181 115.845 115.700 -0.061 0.000 2.583 377 S HA 0.488 4.958 4.470 -0.000 0.000 0.294 377 S C -1.606 172.940 174.600 -0.091 0.000 1.121 377 S CA -0.762 57.398 58.200 -0.067 0.000 0.910 377 S CB 0.652 63.819 63.200 -0.055 0.000 1.102 377 S HN 0.348 nan 8.310 nan 0.000 0.451 378 L N 2.183 123.344 121.223 -0.103 0.000 2.439 378 L HA 0.629 4.969 4.340 -0.000 0.000 0.259 378 L C 0.871 177.654 176.870 -0.145 0.000 1.129 378 L CA 0.237 54.991 54.840 -0.143 0.000 0.803 378 L CB 1.076 43.036 42.059 -0.164 0.000 1.161 378 L HN 0.877 nan 8.230 nan 0.000 0.462 379 T N 1.297 115.738 114.554 -0.188 0.000 2.845 379 T HA 0.358 4.708 4.350 -0.000 0.000 0.288 379 T C 0.144 174.749 174.700 -0.159 0.000 0.980 379 T CA -0.549 61.462 62.100 -0.149 0.000 1.071 379 T CB 0.863 69.643 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 -0.034 0.000 2.370 380 Q HA 0.361 4.701 4.340 -0.000 0.000 0.186 380 Q C 1.896 178.060 176.000 0.274 0.000 1.093 380 Q CA -0.525 55.325 55.803 0.078 0.000 1.142 380 Q CB 0.149 28.924 28.738 0.062 0.000 1.175 380 Q HN 0.830 nan 8.270 nan 0.000 0.625 381 G N 0.603 109.603 108.800 0.333 0.000 2.534 381 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 381 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 381 G C 0.739 175.726 174.900 0.146 0.000 1.128 381 G CA 0.931 46.184 45.100 0.254 0.000 0.784 381 G HN 0.752 nan 8.290 nan 0.000 0.542 382 D N -0.536 119.939 120.400 0.125 0.000 2.333 382 D HA 0.148 4.788 4.640 -0.000 0.000 0.208 382 D C 1.685 178.096 176.300 0.185 0.000 0.984 382 D CA 0.858 54.930 54.000 0.121 0.000 0.873 382 D CB -0.503 40.343 40.800 0.076 0.000 0.935 382 D HN 0.500 nan 8.370 nan 0.000 0.521 383 G N -0.514 108.372 108.800 0.143 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 -0.222 174.748 174.900 0.117 0.000 0.993 383 G CA 0.064 45.200 45.100 0.061 0.000 0.669 383 G HN 0.372 nan 8.290 nan 0.000 0.519 384 V N 0.473 120.469 119.914 0.137 0.000 2.540 384 V HA 0.864 4.984 4.120 -0.000 0.000 0.302 384 V C 0.543 176.649 176.094 0.019 0.000 1.035 384 V CA -0.274 62.097 62.300 0.118 0.000 0.873 384 V CB 1.643 33.516 31.823 0.083 0.000 0.992 384 V HN 1.140 nan 8.190 nan 0.000 0.428 385 A N 3.768 126.586 122.820 -0.003 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 1.771 122.144 120.400 -0.045 0.000 2.292 386 K HA 0.623 4.943 4.320 -0.000 0.000 0.270 386 K C -1.473 175.101 176.600 -0.043 0.000 1.062 386 K CA 0.177 56.434 56.287 -0.050 0.000 0.916 386 K CB -0.119 32.348 32.500 -0.055 0.000 1.166 386 K HN 0.592 nan 8.250 nan 0.000 0.458 387 L N 2.712 123.912 121.223 -0.038 0.000 2.354 387 L HA 0.620 4.960 4.340 -0.000 0.000 0.269 387 L C -0.726 176.118 176.870 -0.042 0.000 1.005 387 L CA -0.867 53.958 54.840 -0.026 0.000 0.819 387 L CB 2.341 44.405 42.059 0.009 0.000 1.311 387 L HN 0.846 nan 8.230 nan 0.000 0.423 388 S N 2.549 118.231 115.700 -0.030 0.000 2.614 388 S HA 0.743 5.213 4.470 -0.000 0.000 0.275 388 S C -0.888 173.704 174.600 -0.014 0.000 1.161 388 S CA -0.768 57.411 58.200 -0.034 0.000 0.969 388 S CB 1.607 64.781 63.200 -0.042 0.000 1.059 388 S HN 0.578 nan 8.310 nan 0.000 0.482 389 I N -0.183 120.394 120.570 0.011 0.000 2.785 389 I HA 0.655 4.825 4.170 -0.000 0.000 0.302 389 I C -1.013 175.087 176.117 -0.030 0.000 1.069 389 I CA -1.206 60.092 61.300 -0.004 0.000 1.045 389 I CB 2.049 40.057 38.000 0.013 0.000 1.236 389 I HN 0.613 nan 8.210 nan 0.000 0.429 390 N N 2.316 120.967 118.700 -0.082 0.000 2.438 390 N HA 0.486 5.226 4.740 -0.000 0.000 0.282 390 N C -0.929 174.450 175.510 -0.218 0.000 1.037 390 N CA -0.435 52.535 53.050 -0.133 0.000 0.942 390 N CB 1.763 40.163 38.487 -0.145 0.000 1.136 390 N HN 0.642 nan 8.380 nan 0.000 0.481 391 T N 0.742 115.172 114.554 -0.206 0.000 2.945 391 T HA 0.311 4.661 4.350 -0.000 0.000 0.286 391 T C -0.373 174.170 174.700 -0.262 0.000 1.025 391 T CA -0.658 61.297 62.100 -0.241 0.000 1.039 391 T CB 0.899 69.670 68.868 -0.163 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 -0.027 0.000 2.488 392 H HA 0.224 4.780 4.556 -0.000 0.000 0.347 392 H C -2.021 173.333 175.328 0.043 0.000 1.174 392 H CA -2.197 53.853 56.048 0.004 0.000 1.307 392 H CB 0.734 30.493 29.762 -0.006 0.000 1.517 392 H HN 0.288 nan 8.280 nan 0.000 0.554 393 P HA -0.044 nan 4.420 nan 0.000 0.285 393 P C -0.285 177.090 177.300 0.124 0.000 1.521 393 P CA 0.182 63.350 63.100 0.114 0.000 0.792 393 P CB -0.427 31.332 31.700 0.098 0.000 1.613 394 S N -0.811 114.982 115.700 0.155 0.000 2.499 394 S HA 0.227 4.697 4.470 -0.000 0.000 0.279 394 S C 0.864 175.557 174.600 0.156 0.000 1.219 394 S CA -0.696 57.581 58.200 0.129 0.000 1.062 394 S CB 1.171 64.433 63.200 0.103 0.000 0.978 394 S HN -0.026 nan 8.310 nan 0.000 0.489 395 Q N 1.120 120.988 119.800 0.113 0.000 2.373 395 Q HA 0.147 4.487 4.340 -0.000 0.000 0.206 395 Q C 0.037 176.102 176.000 0.108 0.000 0.942 395 Q CA 0.326 56.188 55.803 0.098 0.000 0.953 395 Q CB -0.203 28.581 28.738 0.076 0.000 1.022 395 Q HN 0.730 nan 8.270 nan 0.000 0.502 396 K N 1.882 122.360 120.400 0.131 0.000 2.172 396 K HA 0.269 4.589 4.320 -0.000 0.000 0.276 396 K C -2.426 174.275 176.600 0.168 0.000 1.013 396 K CA -1.953 54.399 56.287 0.108 0.000 0.913 396 K CB 0.896 33.432 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 -1.016 176.302 177.300 0.030 0.000 1.173 397 P CA 0.269 63.452 63.100 0.138 0.000 0.761 397 P CB 0.380 32.109 31.700 0.049 0.000 0.794 398 L N 2.459 123.636 121.223 -0.076 0.000 2.265 398 L HA 0.333 4.673 4.340 -0.000 0.000 0.289 398 L C 0.125 176.828 176.870 -0.277 0.000 1.033 398 L CA -0.378 54.239 54.840 -0.372 0.000 0.814 398 L CB 0.918 42.361 42.059 -1.025 0.000 1.203 398 L HN 0.305 nan 8.230 nan 0.000 0.423 399 S N 5.191 120.769 115.700 -0.202 0.000 2.429 399 S HA 0.652 5.122 4.470 -0.000 0.000 0.302 399 S C -0.582 173.916 174.600 -0.171 0.000 1.115 399 S CA -0.530 57.569 58.200 -0.167 0.000 1.095 399 S CB 0.435 63.571 63.200 -0.107 0.000 0.987 399 S HN 0.432 nan 8.310 nan 0.000 0.474 400 I N 4.051 124.504 120.570 -0.195 0.000 2.465 400 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 400 I C -0.114 175.930 176.117 -0.121 0.000 1.014 400 I CA -0.200 61.005 61.300 -0.158 0.000 1.093 400 I CB 2.320 40.215 38.000 -0.175 0.000 1.267 400 I HN 0.434 nan 8.210 nan 0.000 0.431 401 T N 5.214 119.750 114.554 -0.030 0.000 2.809 401 T HA 0.507 4.857 4.350 -0.000 0.000 0.296 401 T C -0.287 174.473 174.700 0.099 0.000 1.015 401 T CA -0.473 61.653 62.100 0.043 0.000 0.954 401 T CB 1.102 69.983 68.868 0.022 0.000 0.950 401 T HN 0.189 nan 8.240 nan 0.000 0.450 402 V N 4.390 124.439 119.914 0.225 0.000 2.465 402 V HA 0.529 4.649 4.120 -0.000 0.000 0.279 402 V C 0.380 176.519 176.094 0.076 0.000 1.045 402 V CA -0.701 61.707 62.300 0.179 0.000 0.938 402 V CB 1.325 33.319 31.823 0.285 0.000 0.986 402 V HN 0.680 nan 8.190 nan 0.000 0.467 403 R N 2.498 123.011 120.500 0.021 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 -0.054 0.000 0.968 403 R CA -0.369 55.722 56.100 -0.015 0.000 0.872 403 R CB 1.684 31.977 30.300 -0.011 0.000 1.177 403 R HN 0.789 nan 8.270 nan 0.000 0.444 404 T N 2.428 116.931 114.554 -0.086 0.000 2.928 404 T HA 0.097 4.447 4.350 -0.000 0.000 0.305 404 T C 0.145 174.773 174.700 -0.120 0.000 1.035 404 T CA 0.113 62.127 62.100 -0.143 0.000 1.145 404 T CB 0.426 69.169 68.868 -0.208 0.000 0.963 404 T HN 0.458 nan 8.240 nan 0.000 0.545 405 K N 3.714 124.034 120.400 -0.134 0.000 3.045 405 K HA 0.205 4.525 4.320 -0.000 0.000 0.211 405 K C -0.026 176.506 176.600 -0.113 0.000 1.141 405 K CA -0.540 55.687 56.287 -0.101 0.000 1.036 405 K CB 0.647 33.100 32.500 -0.079 0.000 0.851 405 K HN 0.428 nan 8.250 nan 0.000 0.462 406 K N 2.117 122.429 120.400 -0.146 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 -0.066 0.000 1.050 406 K CA 0.238 56.446 56.287 -0.131 0.000 0.956 406 K CB 0.667 33.050 32.500 -0.195 0.000 0.990 406 K HN 0.295 nan 8.250 nan 0.000 0.475 407 Q N 2.084 121.853 119.800 -0.051 0.000 2.700 407 Q HA -0.053 4.287 4.340 -0.000 0.000 0.191 407 Q C 0.289 176.278 176.000 -0.018 0.000 1.134 407 Q CA 0.352 56.135 55.803 -0.033 0.000 1.193 407 Q CB 0.263 28.983 28.738 -0.031 0.000 1.250 407 Q HN 0.634 nan 8.270 nan 0.000 0.670 408 E N -2.388 117.803 120.200 -0.016 0.000 4.250 408 E HA -0.280 4.070 4.350 -0.000 0.000 0.325 408 E C -0.524 176.065 176.600 -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 0.000 0.000 1.759 408 E HN 0.217 nan 8.360 nan 0.000 0.401 409 L N -0.165 121.046 121.223 -0.020 0.000 2.585 409 L HA 0.572 4.912 4.340 -0.000 0.000 0.260 409 L C 0.616 177.465 176.870 -0.035 0.000 1.085 409 L CA 0.161 54.980 54.840 -0.034 0.000 0.913 409 L CB 0.971 43.017 42.059 -0.022 0.000 1.638 409 L HN 0.150 nan 8.230 nan 0.000 0.531 410 S N -2.362 113.315 115.700 -0.040 0.000 2.671 410 S HA 0.429 4.899 4.470 -0.000 0.000 0.299 410 S C 0.232 174.815 174.600 -0.027 0.000 1.116 410 S CA -0.677 57.504 58.200 -0.033 0.000 0.912 410 S CB 1.478 64.658 63.200 -0.034 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 -0.035 4.315 4.350 -0.000 0.000 0.201 411 E C 1.643 178.233 176.600 -0.016 0.000 1.045 411 E CA 0.988 57.376 56.400 -0.021 0.000 0.872 411 E CB -0.353 29.334 29.700 -0.020 0.000 0.797 411 E HN 0.717 nan 8.360 nan 0.000 0.538 412 A N 0.628 123.437 122.820 -0.018 0.000 2.044 412 A HA -0.013 4.307 4.320 -0.000 0.000 0.213 412 A C 1.686 179.278 177.584 0.013 0.000 1.169 412 A CA 0.201 52.231 52.037 -0.011 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 0.371 120.572 120.200 0.003 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 56.273 56.400 0.006 0.000 0.870 413 E CB 0.174 29.815 29.700 -0.100 0.000 0.944 413 E HN 0.512 nan 8.360 nan 0.000 0.492 414 Q N 0.464 120.272 119.800 0.013 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 0.015 0.000 0.920 414 Q CA -0.263 55.549 55.803 0.015 0.000 0.895 414 Q CB 1.518 30.248 28.738 -0.013 0.000 1.220 414 Q HN 0.059 nan 8.270 nan 0.000 0.439 415 A N 1.400 124.227 122.820 0.012 0.000 2.304 415 A HA 0.609 4.929 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 -0.386 51.648 52.037 -0.005 0.000 0.826 415 A CB 1.267 20.262 19.000 -0.007 0.000 1.184 415 A HN 0.579 nan 8.150 nan 0.000 0.496 416 T N 0.609 115.153 114.554 -0.017 0.000 2.924 416 T HA 0.751 5.101 4.350 -0.000 0.000 0.291 416 T C -0.715 173.993 174.700 0.013 0.000 1.045 416 T CA -0.593 61.506 62.100 -0.001 0.000 1.015 416 T CB 1.098 69.975 68.868 0.015 0.000 1.103 416 T HN 0.929 nan 8.240 nan 0.000 0.496 417 R N 1.146 121.692 120.500 0.075 0.000 2.643 417 R HA 0.644 4.984 4.340 -0.000 0.000 0.269 417 R C -1.662 174.835 176.300 0.329 0.000 1.037 417 R CA -0.378 55.822 56.100 0.166 0.000 0.894 417 R CB 1.820 32.182 30.300 0.103 0.000 1.238 417 R HN 0.696 nan 8.270 nan 0.000 0.459 418 T N 4.580 119.271 114.554 0.228 0.000 2.861 418 T HA 0.626 4.976 4.350 -0.000 0.000 0.287 418 T C -0.411 174.267 174.700 -0.037 0.000 1.003 418 T CA -0.736 61.409 62.100 0.075 0.000 0.977 418 T CB 1.078 69.957 68.868 0.018 0.000 0.996 418 T HN 0.650 nan 8.240 nan 0.000 0.448 419 M N 1.529 120.950 119.600 -0.298 0.000 2.755 419 M HA 0.719 5.199 4.480 -0.000 0.000 0.298 419 M C -1.333 174.818 176.300 -0.249 0.000 1.251 419 M CA -1.036 54.074 55.300 -0.317 0.000 0.817 419 M CB 2.385 34.609 32.600 -0.627 0.000 1.760 419 M HN 0.474 nan 8.290 nan 0.000 0.473 420 Q N 1.197 120.880 119.800 -0.195 0.000 2.275 420 Q HA 0.728 5.068 4.340 -0.000 0.000 0.266 420 Q C -2.092 173.802 176.000 -0.176 0.000 1.002 420 Q CA -0.556 55.148 55.803 -0.165 0.000 0.761 420 Q CB 2.303 30.979 28.738 -0.104 0.000 1.255 420 Q HN 0.955 nan 8.270 nan 0.000 0.446 421 A N 4.732 127.440 122.820 -0.186 0.000 2.312 421 A HA 0.720 5.039 4.320 -0.000 0.000 0.326 421 A C -1.011 176.627 177.584 0.090 0.000 1.172 421 A CA -0.604 51.350 52.037 -0.140 0.000 0.821 421 A CB 0.754 19.591 19.000 -0.271 0.000 1.166 421 A HN 0.789 nan 8.150 nan 0.000 0.493 422 L N 2.651 123.871 121.223 -0.006 0.000 2.325 422 L HA 0.424 4.764 4.340 -0.000 0.000 0.278 422 L C -2.312 174.492 176.870 -0.111 0.000 1.023 422 L CA -2.233 52.648 54.840 0.067 0.000 0.811 422 L CB 2.021 44.127 42.059 0.078 0.000 1.249 422 L HN 0.433 nan 8.230 nan 0.000 0.431 423 P HA -0.086 nan 4.420 nan 0.000 0.269 423 P C -1.166 176.049 177.300 -0.143 0.000 1.215 423 P CA -0.012 62.675 63.100 -0.688 0.000 0.780 423 P CB 0.239 31.715 31.700 -0.372 0.000 0.898 424 Y N 2.317 122.527 120.300 -0.151 0.000 2.584 424 Y HA 0.161 4.711 4.550 -0.000 0.000 0.351 424 Y C 0.703 176.723 175.900 0.199 0.000 1.030 424 Y CA -0.033 58.122 58.100 0.092 0.000 1.332 424 Y CB 0.122 38.724 38.460 0.237 0.000 1.148 424 Y HN 0.206 nan 8.280 nan 0.000 0.528 425 S N 5.348 120.860 115.700 -0.315 0.000 2.466 425 S HA 0.121 4.591 4.470 -0.000 0.000 0.286 425 S C -0.106 174.253 174.600 -0.402 0.000 1.221 425 S CA -0.440 57.607 58.200 -0.255 0.000 1.091 425 S CB -0.294 62.774 63.200 -0.221 0.000 0.956 425 S HN 0.781 nan 8.310 nan 0.000 0.501 426 T N 5.105 119.539 114.554 -0.200 0.000 2.856 426 T HA 0.244 4.594 4.350 -0.000 0.000 0.292 426 T C 0.115 174.744 174.700 -0.119 0.000 0.980 426 T CA -0.659 61.332 62.100 -0.181 0.000 1.091 426 T CB 1.043 69.722 68.868 -0.315 0.000 0.936 426 T HN 0.509 nan 8.240 nan 0.000 0.503 427 V N 3.258 123.117 119.914 -0.093 0.000 2.555 427 V HA 0.172 4.292 4.120 -0.000 0.000 0.299 427 V C 1.651 177.695 176.094 -0.083 0.000 1.012 427 V CA 1.204 63.457 62.300 -0.079 0.000 1.180 427 V CB -0.648 31.073 31.823 -0.171 0.000 0.887 427 V HN 1.275 nan 8.190 nan 0.000 0.476 428 G N 5.057 113.824 108.800 -0.055 0.000 2.225 428 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.267 428 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.267 428 G C 0.335 175.207 174.900 -0.046 0.000 1.024 428 G CA 0.256 45.327 45.100 -0.048 0.000 0.784 428 G HN 1.093 nan 8.290 nan 0.000 0.507 429 N N -1.658 117.013 118.700 -0.049 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 -0.039 0.000 1.031 429 N CA 1.638 54.667 53.050 -0.035 0.000 0.720 429 N CB -1.575 36.906 38.487 -0.010 0.000 0.930 429 N HN 1.355 nan 8.380 nan 0.000 0.543 430 S N -1.402 114.253 115.700 -0.074 0.000 2.593 430 S HA 0.041 4.511 4.470 -0.000 0.000 0.217 430 S C 0.741 175.299 174.600 -0.069 0.000 0.966 430 S CA 0.102 58.259 58.200 -0.072 0.000 0.914 430 S CB 0.248 63.386 63.200 -0.103 0.000 0.776 430 S HN 0.336 nan 8.310 nan 0.000 0.523 431 N N 1.922 120.553 118.700 -0.115 0.000 2.735 431 N HA -0.120 4.620 4.740 -0.000 0.000 0.248 431 N C -1.648 173.735 175.510 -0.211 0.000 1.083 431 N CA 0.784 53.765 53.050 -0.115 0.000 0.703 431 N CB -2.089 36.469 38.487 0.118 0.000 1.005 431 N HN 0.521 nan 8.380 nan 0.000 0.550 432 N N 0.785 119.278 118.700 -0.345 0.000 2.457 432 N HA 0.353 5.093 4.740 -0.000 0.000 0.250 432 N C -0.319 175.037 175.510 -0.257 0.000 0.982 432 N CA -0.078 52.883 53.050 -0.149 0.000 0.941 432 N CB 0.435 38.920 38.487 -0.002 0.000 1.120 432 N HN 0.190 nan 8.380 nan 0.000 0.505 433 Y N 0.643 121.035 120.300 0.154 0.000 2.650 433 Y HA 0.684 5.234 4.550 -0.000 0.000 0.331 433 Y C -0.262 175.705 175.900 0.112 0.000 1.082 433 Y CA -1.272 56.846 58.100 0.030 0.000 1.171 433 Y CB 1.450 39.911 38.460 0.002 0.000 1.326 433 Y HN 0.234 nan 8.280 nan 0.000 0.513 434 L N 1.247 122.566 121.223 0.160 0.000 2.516 434 L HA 0.438 4.778 4.340 -0.000 0.000 0.267 434 L C -1.880 175.048 176.870 0.096 0.000 0.957 434 L CA -0.396 54.570 54.840 0.210 0.000 0.860 434 L CB 1.402 43.648 42.059 0.312 0.000 1.265 434 L HN 0.779 nan 8.230 nan 0.000 0.403 435 H N 4.532 123.605 119.070 0.006 0.000 2.495 435 H HA 0.731 5.287 4.556 -0.000 0.000 0.348 435 H C -1.526 173.726 175.328 -0.127 0.000 1.113 435 H CA -0.503 55.516 56.048 -0.048 0.000 1.195 435 H CB 1.536 31.288 29.762 -0.016 0.000 1.521 435 H HN 0.658 nan 8.280 nan 0.000 0.509 436 L N 5.077 125.853 121.223 -0.745 0.000 2.337 436 L HA 0.306 4.646 4.340 -0.000 0.000 0.269 436 L C -0.334 176.131 176.870 -0.675 0.000 1.018 436 L CA -0.715 53.739 54.840 -0.644 0.000 0.876 436 L CB 1.125 42.865 42.059 -0.531 0.000 1.236 436 L HN 0.662 nan 8.230 nan 0.000 0.436 437 S N 2.285 117.730 115.700 -0.424 0.000 2.475 437 S HA 0.681 5.151 4.470 -0.000 0.000 0.281 437 S C -0.345 174.146 174.600 -0.181 0.000 1.198 437 S CA -0.705 57.377 58.200 -0.198 0.000 1.063 437 S CB 1.831 65.062 63.200 0.053 0.000 0.972 437 S HN 0.194 nan 8.310 nan 0.000 0.486 438 V N 3.972 123.785 119.914 -0.167 0.000 2.448 438 V HA 0.301 4.421 4.120 -0.000 0.000 0.295 438 V C -0.430 175.598 176.094 -0.110 0.000 1.025 438 V CA -0.938 61.275 62.300 -0.145 0.000 0.859 438 V CB 1.378 33.101 31.823 -0.167 0.000 0.988 438 V HN 0.849 nan 8.190 nan 0.000 0.431 439 L N 5.648 126.820 121.223 -0.086 0.000 2.574 439 L HA 0.178 4.518 4.340 -0.000 0.000 0.281 439 L C 1.082 177.905 176.870 -0.078 0.000 1.212 439 L CA 0.456 55.254 54.840 -0.071 0.000 1.082 439 L CB -0.922 41.105 42.059 -0.055 0.000 1.362 439 L HN 0.693 nan 8.230 nan 0.000 0.451 440 R N 1.095 121.539 120.500 -0.093 0.000 2.357 440 R HA 0.404 4.744 4.340 -0.000 0.000 0.330 440 R C -0.330 175.921 176.300 -0.082 0.000 1.102 440 R CA -0.014 56.022 56.100 -0.105 0.000 0.974 440 R CB -0.101 30.117 30.300 -0.136 0.000 1.002 440 R HN 0.532 nan 8.270 nan 0.000 0.463 441 T N -0.087 114.424 114.554 -0.072 0.000 2.901 441 T HA 0.264 4.614 4.350 -0.000 0.000 0.293 441 T C -0.351 174.316 174.700 -0.055 0.000 1.084 441 T CA -1.220 60.847 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 1.533 121.709 120.200 -0.041 0.000 2.175 442 E HA 0.075 4.425 4.350 -0.000 0.000 0.247 442 E C -0.192 176.382 176.600 -0.043 0.000 1.259 442 E CA -0.033 56.343 56.400 -0.041 0.000 0.969 442 E CB -0.171 29.514 29.700 -0.026 0.000 1.051 442 E HN 0.376 nan 8.360 nan 0.000 0.448 443 L N 3.972 125.169 121.223 -0.045 0.000 2.453 443 L HA 0.130 4.470 4.340 -0.000 0.000 0.272 443 L C 0.663 177.502 176.870 -0.052 0.000 1.182 443 L CA 0.528 55.342 54.840 -0.044 0.000 0.858 443 L CB 0.225 42.278 42.059 -0.010 0.000 1.120 443 L HN 0.349 nan 8.230 nan 0.000 0.474 444 R N 3.400 123.862 120.500 -0.064 0.000 2.575 444 R HA 0.367 4.707 4.340 -0.000 0.000 0.293 444 R C -2.575 173.681 176.300 -0.072 0.000 0.983 444 R CA -2.123 53.941 56.100 -0.059 0.000 0.887 444 R CB 1.374 31.647 30.300 -0.044 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 0.581 177.856 177.300 -0.042 0.000 1.173 445 P CA 1.153 64.223 63.100 -0.049 0.000 0.780 445 P CB 0.435 32.130 31.700 -0.007 0.000 0.758 446 G N 2.528 111.291 108.800 -0.062 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 0.143 175.006 174.900 -0.060 0.000 1.015 446 G CA -0.438 44.635 45.100 -0.044 0.000 0.743 446 G HN 0.489 nan 8.290 nan 0.000 0.476 447 E N 0.294 120.445 120.200 -0.081 0.000 2.405 447 E HA 0.535 4.885 4.350 -0.000 0.000 0.253 447 E C -0.230 176.305 176.600 -0.108 0.000 1.257 447 E CA 0.300 56.651 56.400 -0.081 0.000 0.960 447 E CB 0.912 30.566 29.700 -0.077 0.000 1.077 447 E HN 0.089 nan 8.360 nan 0.000 0.512 448 T N 0.327 114.827 114.554 -0.090 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 -0.088 0.000 1.009 448 T CA -0.775 61.268 62.100 -0.095 0.000 0.989 448 T CB 0.820 69.652 68.868 -0.059 0.000 1.004 448 T HN 0.191 nan 8.240 nan 0.000 0.455 449 L N 4.605 125.770 121.223 -0.096 0.000 2.322 449 L HA 0.615 4.955 4.340 -0.000 0.000 0.281 449 L C -0.564 176.279 176.870 -0.044 0.000 1.014 449 L CA -0.448 54.353 54.840 -0.066 0.000 0.815 449 L CB 1.492 43.521 42.059 -0.050 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 -0.039 0.000 2.602 450 N HA 0.186 4.926 4.740 -0.000 0.000 0.238 450 N C -0.959 174.524 175.510 -0.045 0.000 1.084 450 N CA -0.174 52.858 53.050 -0.029 0.000 0.952 450 N CB 1.085 39.558 38.487 -0.024 0.000 1.244 450 N HN 0.352 nan 8.380 nan 0.000 0.512 451 V N 2.894 122.783 119.914 -0.041 0.000 2.427 451 V HA 0.106 4.226 4.120 -0.000 0.000 0.268 451 V C 0.302 176.319 176.094 -0.128 0.000 1.046 451 V CA -0.611 61.614 62.300 -0.125 0.000 0.970 451 V CB 0.071 31.815 31.823 -0.133 0.000 1.001 451 V HN 0.413 nan 8.190 nan 0.000 0.476 452 N N 4.569 123.137 118.700 -0.219 0.000 2.455 452 N HA 0.463 5.203 4.740 -0.000 0.000 0.280 452 N C -0.877 174.432 175.510 -0.335 0.000 1.055 452 N CA -0.179 52.788 53.050 -0.140 0.000 0.961 452 N CB 0.997 39.438 38.487 -0.078 0.000 1.121 452 N HN 0.477 nan 8.380 nan 0.000 0.476 453 F N 1.840 121.700 119.950 -0.150 0.000 2.347 453 F HA 0.313 4.840 4.527 -0.000 0.000 0.366 453 F C -0.057 175.657 175.800 -0.143 0.000 1.107 453 F CA -0.952 56.892 58.000 -0.260 0.000 1.058 453 F CB 0.957 39.630 39.000 -0.545 0.000 1.236 453 F HN 0.170 nan 8.300 nan 0.000 0.456 454 L N 5.563 126.817 121.223 0.051 0.000 2.262 454 L HA 0.524 4.864 4.340 -0.000 0.000 0.288 454 L C -0.906 176.048 176.870 0.141 0.000 1.035 454 L CA -0.698 54.206 54.840 0.106 0.000 0.820 454 L CB 0.710 42.846 42.059 0.129 0.000 1.204 454 L HN 0.495 nan 8.230 nan 0.000 0.424 455 L N 5.205 126.513 121.223 0.142 0.000 2.399 455 L HA 0.649 4.989 4.340 -0.000 0.000 0.266 455 L C -0.516 176.435 176.870 0.135 0.000 1.114 455 L CA -0.063 54.865 54.840 0.148 0.000 0.804 455 L CB 1.032 43.146 42.059 0.092 0.000 1.146 455 L HN 0.733 nan 8.230 nan 0.000 0.451 456 R N 5.148 125.748 120.500 0.167 0.000 2.713 456 R HA 0.665 5.005 4.340 -0.000 0.000 0.282 456 R C -1.763 174.646 176.300 0.182 0.000 1.472 456 R CA -0.361 55.851 56.100 0.187 0.000 1.060 456 R CB 0.370 30.831 30.300 0.269 0.000 1.237 456 R HN 0.793 nan 8.270 nan 0.000 0.484 457 M N 0.144 119.816 119.600 0.119 0.000 2.694 457 M HA 0.444 4.923 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 -1.124 54.237 55.300 0.101 0.000 0.849 457 M CB 1.532 34.181 32.600 0.081 0.000 1.705 457 M HN 0.250 nan 8.290 nan 0.000 0.504 458 D N 1.300 121.755 120.400 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 0.057 0.000 1.157 458 D CA -0.137 53.910 54.000 0.078 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 0.924 121.437 120.500 0.021 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 -0.056 0.000 1.080 459 R CA 0.942 57.036 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 1.181 123.948 122.820 -0.088 0.000 2.070 460 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 460 A C 1.011 178.262 177.584 -0.555 0.000 1.159 460 A CA 1.196 53.055 52.037 -0.298 0.000 0.656 460 A CB -0.427 18.383 19.000 -0.317 0.000 0.800 460 A HN 0.595 nan 8.150 nan 0.000 0.453 461 H N -2.138 116.918 119.070 -0.024 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 -0.059 0.000 1.201 461 H CA 0.700 56.727 56.048 -0.036 0.000 1.102 461 H CB 0.197 29.941 29.762 -0.030 0.000 1.656 461 H HN 0.780 nan 8.280 nan 0.000 0.662 462 E N 1.581 121.793 120.200 0.021 0.000 2.204 462 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 462 E C 1.985 178.548 176.600 -0.061 0.000 0.989 462 E CA 1.198 57.579 56.400 -0.033 0.000 0.824 462 E CB -0.066 29.620 29.700 -0.024 0.000 0.756 462 E HN 0.208 nan 8.360 nan 0.000 0.477 463 A N 0.452 123.244 122.820 -0.047 0.000 2.209 463 A HA 0.137 4.457 4.320 -0.000 0.000 0.212 463 A C 2.264 179.817 177.584 -0.052 0.000 1.158 463 A CA 1.476 53.484 52.037 -0.049 0.000 0.742 463 A CB -0.772 18.203 19.000 -0.041 0.000 0.790 463 A HN 0.368 nan 8.150 nan 0.000 0.472 464 K N -0.170 120.200 120.400 -0.050 0.000 2.243 464 K HA 0.279 4.599 4.320 -0.000 0.000 0.201 464 K C 0.672 177.199 176.600 -0.122 0.000 1.051 464 K CA 0.708 56.964 56.287 -0.052 0.000 0.970 464 K CB -0.403 32.091 32.500 -0.010 0.000 0.755 464 K HN 0.406 nan 8.250 nan 0.000 0.465 465 I N 2.226 122.681 120.570 -0.192 0.000 2.452 465 I HA 0.243 4.413 4.170 -0.000 0.000 0.287 465 I C 0.539 176.472 176.117 -0.307 0.000 1.079 465 I CA -0.015 61.075 61.300 -0.350 0.000 1.387 465 I CB 1.334 39.030 38.000 -0.505 0.000 1.404 465 I HN 0.241 nan 8.210 nan 0.000 0.522 466 R N 5.736 126.039 120.500 -0.327 0.000 2.544 466 R HA 0.190 4.529 4.340 -0.000 0.000 0.303 466 R C -0.820 175.457 176.300 -0.038 0.000 0.939 466 R CA -0.005 56.026 56.100 -0.114 0.000 1.102 466 R CB 0.507 30.846 30.300 0.065 0.000 1.440 466 R HN 0.706 nan 8.270 nan 0.000 0.532 467 Y N -2.530 117.589 120.300 -0.302 0.000 2.604 467 Y HA 0.593 5.143 4.550 -0.000 0.000 0.331 467 Y C -1.554 174.110 175.900 -0.394 0.000 1.158 467 Y CA -1.928 56.017 58.100 -0.258 0.000 1.056 467 Y CB 0.447 38.856 38.460 -0.086 0.000 1.330 467 Y HN -0.198 nan 8.280 nan 0.000 0.457 468 Y N 0.525 120.868 120.300 0.072 0.000 2.409 468 Y HA 0.634 5.184 4.550 -0.000 0.000 0.339 468 Y C -0.125 175.860 175.900 0.142 0.000 1.033 468 Y CA -1.078 57.047 58.100 0.041 0.000 1.094 468 Y CB 2.564 40.979 38.460 -0.074 0.000 1.210 468 Y HN 0.681 nan 8.280 nan 0.000 0.456 469 T N 4.076 118.727 114.554 0.162 0.000 2.853 469 T HA 0.288 4.638 4.350 -0.000 0.000 0.317 469 T C -1.024 173.839 174.700 0.271 0.000 1.059 469 T CA -0.575 61.580 62.100 0.092 0.000 0.954 469 T CB -0.797 67.994 68.868 -0.128 0.000 0.994 469 T HN 0.448 nan 8.240 nan 0.000 0.479 470 Y N 2.423 122.901 120.300 0.297 0.000 2.387 470 Y HA 0.856 5.406 4.550 -0.000 0.000 0.330 470 Y C -1.246 174.845 175.900 0.318 0.000 1.133 470 Y CA -1.796 56.511 58.100 0.344 0.000 1.152 470 Y CB 0.664 39.350 38.460 0.376 0.000 1.215 470 Y HN 0.264 nan 8.280 nan 0.000 0.466 471 L N 4.310 125.797 121.223 0.439 0.000 2.388 471 L HA 0.500 4.840 4.340 -0.000 0.000 0.264 471 L C -0.921 176.169 176.870 0.367 0.000 0.998 471 L CA -0.819 54.220 54.840 0.332 0.000 0.817 471 L CB 2.101 44.353 42.059 0.322 0.000 1.338 471 L HN 0.610 nan 8.230 nan 0.000 0.414 472 I N 2.995 123.748 120.570 0.305 0.000 2.378 472 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 472 I C -0.416 175.830 176.117 0.216 0.000 0.992 472 I CA -0.471 61.011 61.300 0.304 0.000 1.154 472 I CB 1.693 39.846 38.000 0.255 0.000 1.315 472 I HN 0.462 nan 8.210 nan 0.000 0.448 473 M N 5.945 125.689 119.600 0.240 0.000 2.300 473 M HA 0.370 4.850 4.480 -0.000 0.000 0.348 473 M C -0.289 176.123 176.300 0.187 0.000 1.151 473 M CA -0.206 55.200 55.300 0.176 0.000 1.046 473 M CB 1.183 33.872 32.600 0.149 0.000 1.647 473 M HN 0.546 nan 8.290 nan 0.000 0.451 474 N N 2.243 121.018 118.700 0.125 0.000 2.578 474 N HA 0.141 4.881 4.740 -0.000 0.000 0.282 474 N C -0.741 174.840 175.510 0.118 0.000 1.119 474 N CA -0.150 52.977 53.050 0.127 0.000 0.948 474 N CB 1.208 39.721 38.487 0.044 0.000 1.546 474 N HN 0.669 nan 8.380 nan 0.000 0.525 475 K N 2.057 122.548 120.400 0.152 0.000 3.193 475 K HA -0.233 4.087 4.320 -0.000 0.000 0.294 475 K C 0.631 177.315 176.600 0.140 0.000 1.185 475 K CA 1.108 57.501 56.287 0.178 0.000 0.866 475 K CB -1.339 31.291 32.500 0.217 0.000 1.227 475 K HN 0.999 nan 8.250 nan 0.000 0.467 476 G N 0.468 109.323 108.800 0.092 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 -0.156 174.757 174.900 0.021 0.000 0.988 476 G CA 0.346 45.476 45.100 0.050 0.000 0.659 476 G HN 0.577 nan 8.290 nan 0.000 0.522 477 R N -0.734 119.787 120.500 0.035 0.000 2.837 477 R HA 0.787 5.127 4.340 -0.000 0.000 0.271 477 R C -0.471 175.850 176.300 0.035 0.000 0.993 477 R CA -1.282 54.825 56.100 0.012 0.000 0.931 477 R CB 1.093 31.386 30.300 -0.012 0.000 1.206 477 R HN 0.110 nan 8.270 nan 0.000 0.474 478 L N 3.491 124.733 121.223 0.032 0.000 2.407 478 L HA 0.100 4.440 4.340 -0.000 0.000 0.282 478 L C 1.108 177.993 176.870 0.026 0.000 1.110 478 L CA -0.412 54.461 54.840 0.055 0.000 0.863 478 L CB 0.976 43.078 42.059 0.072 0.000 1.207 478 L HN 0.679 nan 8.230 nan 0.000 0.454 479 L N 3.891 125.122 121.223 0.013 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 56.502 54.840 -0.052 0.000 0.747 479 L CB -0.107 41.845 42.059 -0.178 0.000 0.903 479 L HN 0.595 nan 8.230 nan 0.000 0.435 480 K N -1.386 119.037 120.400 0.038 0.000 2.575 480 K HA 0.632 4.952 4.320 -0.000 0.000 0.279 480 K C -2.084 174.579 176.600 0.106 0.000 0.969 480 K CA -0.305 56.027 56.287 0.075 0.000 0.868 480 K CB 1.827 34.390 32.500 0.106 0.000 1.457 480 K HN 0.014 nan 8.250 nan 0.000 0.426 481 A N 1.314 124.151 122.820 0.029 0.000 2.488 481 A HA 0.758 5.078 4.320 -0.000 0.000 0.295 481 A C -0.906 176.510 177.584 -0.279 0.000 1.045 481 A CA -0.050 51.916 52.037 -0.117 0.000 0.703 481 A CB 1.718 20.714 19.000 -0.007 0.000 1.271 481 A HN 0.840 nan 8.150 nan 0.000 0.400 482 G N 1.036 109.347 108.800 -0.815 0.000 3.058 482 G HA2 0.734 4.694 3.960 -0.000 0.000 0.282 482 G HA3 0.734 4.694 3.960 -0.000 0.000 0.282 482 G C -1.402 173.203 174.900 -0.491 0.000 1.248 482 G CA -0.666 44.112 45.100 -0.536 0.000 0.822 482 G HN 0.614 nan 8.290 nan 0.000 0.579 483 R N -0.092 120.390 120.500 -0.029 0.000 2.686 483 R HA 0.515 4.855 4.340 -0.000 0.000 0.283 483 R C -1.425 175.049 176.300 0.291 0.000 0.978 483 R CA -0.834 55.350 56.100 0.139 0.000 0.897 483 R CB 1.988 32.312 30.300 0.039 0.000 1.192 483 R HN 0.527 nan 8.270 nan 0.000 0.457 484 Q N 2.202 122.162 119.800 0.267 0.000 2.394 484 Q HA 0.261 4.601 4.340 -0.000 0.000 0.259 484 Q C -0.404 175.659 176.000 0.106 0.000 1.021 484 Q CA -0.666 55.200 55.803 0.105 0.000 0.805 484 Q CB 1.264 29.861 28.738 -0.236 0.000 1.226 484 Q HN 0.510 nan 8.270 nan 0.000 0.476 485 V N 2.087 122.050 119.914 0.083 0.000 2.872 485 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 485 V C -0.156 175.973 176.094 0.057 0.000 1.072 485 V CA -0.375 61.969 62.300 0.074 0.000 1.148 485 V CB 0.895 32.750 31.823 0.053 0.000 0.954 485 V HN 0.860 nan 8.190 nan 0.000 0.490 486 R N 1.983 122.501 120.500 0.030 0.000 2.522 486 R HA 0.489 4.829 4.340 -0.000 0.000 0.283 486 R C -1.248 175.048 176.300 -0.006 0.000 1.074 486 R CA -0.562 55.548 56.100 0.017 0.000 0.925 486 R CB 1.993 32.279 30.300 -0.023 0.000 1.205 486 R HN 0.911 nan 8.270 nan 0.000 0.436 487 E N 4.016 124.221 120.200 0.009 0.000 2.277 487 E HA 0.345 4.695 4.350 -0.000 0.000 0.274 487 E C -2.451 174.144 176.600 -0.008 0.000 1.022 487 E CA -2.119 54.282 56.400 0.001 0.000 0.853 487 E CB 1.198 30.904 29.700 0.010 0.000 1.086 487 E HN 0.346 nan 8.360 nan 0.000 0.397 488 P HA 0.064 nan 4.420 nan 0.000 0.260 488 P C 0.369 177.663 177.300 -0.010 0.000 1.185 488 P CA 1.021 64.108 63.100 -0.022 0.000 0.763 488 P CB 0.460 32.148 31.700 -0.021 0.000 0.776 489 G N 2.250 111.045 108.800 -0.008 0.000 2.184 489 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.206 489 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.206 489 G C -0.082 174.826 174.900 0.013 0.000 0.995 489 G CA -0.510 44.591 45.100 0.002 0.000 0.651 489 G HN 0.554 nan 8.290 nan 0.000 0.511 490 Q N 0.488 120.299 119.800 0.018 0.000 2.368 490 Q HA 0.443 4.783 4.340 -0.000 0.000 0.256 490 Q C -0.128 175.905 176.000 0.056 0.000 0.980 490 Q CA -0.672 55.154 55.803 0.038 0.000 0.887 490 Q CB 1.228 29.994 28.738 0.045 0.000 1.221 490 Q HN 0.157 nan 8.270 nan 0.000 0.458 491 D N 1.289 121.723 120.400 0.056 0.000 2.346 491 D HA 0.052 4.692 4.640 -0.000 0.000 0.206 491 D C -0.413 175.939 176.300 0.088 0.000 1.001 491 D CA 0.511 54.553 54.000 0.070 0.000 0.871 491 D CB 0.608 41.440 40.800 0.054 0.000 0.943 491 D HN 0.213 nan 8.370 nan 0.000 0.518 492 L N 1.271 122.542 121.223 0.080 0.000 2.446 492 L HA 0.351 4.691 4.340 -0.000 0.000 0.268 492 L C -1.114 175.810 176.870 0.091 0.000 0.975 492 L CA -1.053 53.838 54.840 0.084 0.000 0.848 492 L CB 1.767 43.861 42.059 0.059 0.000 1.225 492 L HN -0.178 nan 8.230 nan 0.000 0.410 493 V N 3.059 123.048 119.914 0.125 0.000 2.656 493 V HA 0.804 4.924 4.120 -0.000 0.000 0.307 493 V C -0.590 175.605 176.094 0.169 0.000 1.051 493 V CA -0.774 61.594 62.300 0.113 0.000 0.893 493 V CB 1.712 33.587 31.823 0.086 0.000 0.999 493 V HN 0.392 nan 8.190 nan 0.000 0.426 494 V N 5.090 125.073 119.914 0.115 0.000 2.481 494 V HA 0.508 4.628 4.120 -0.000 0.000 0.286 494 V C -0.219 175.943 176.094 0.114 0.000 1.042 494 V CA -0.447 61.925 62.300 0.120 0.000 0.928 494 V CB 1.471 33.329 31.823 0.059 0.000 0.986 494 V HN 0.871 nan 8.190 nan 0.000 0.462 495 L N 8.125 129.438 121.223 0.151 0.000 2.295 495 L HA 0.607 4.947 4.340 -0.000 0.000 0.281 495 L C -2.509 174.378 176.870 0.028 0.000 1.018 495 L CA -1.995 52.899 54.840 0.090 0.000 0.841 495 L CB 1.459 43.616 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 63.032 63.100 0.003 0.000 1.189 496 P CB 0.037 31.744 31.700 0.012 0.000 1.687 497 L N 3.203 124.409 121.223 -0.029 0.000 2.259 497 L HA 0.287 4.627 4.340 -0.000 0.000 0.288 497 L C -0.020 176.786 176.870 -0.106 0.000 1.051 497 L CA 0.008 54.825 54.840 -0.039 0.000 0.824 497 L CB 0.181 42.218 42.059 -0.036 0.000 1.206 497 L HN 0.033 nan 8.230 nan 0.000 0.429 498 S N 6.062 121.720 115.700 -0.069 0.000 2.531 498 S HA 0.427 4.897 4.470 -0.000 0.000 0.279 498 S C 0.055 174.491 174.600 -0.273 0.000 1.305 498 S CA -0.412 57.720 58.200 -0.114 0.000 1.058 498 S CB 0.414 63.598 63.200 -0.026 0.000 0.899 498 S HN 0.389 nan 8.310 nan 0.000 0.493 499 I N 4.279 124.597 120.570 -0.419 0.000 2.315 499 I HA 0.241 4.411 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 60.600 61.300 -0.781 0.000 1.265 499 I CB 0.402 37.963 38.000 -0.732 0.000 1.387 499 I HN 0.691 nan 8.210 nan 0.000 0.475 500 T N 1.181 115.802 114.554 0.113 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 0.207 0.000 1.059 500 T CA 0.001 62.220 62.100 0.197 0.000 0.958 500 T CB 0.863 69.868 68.868 0.230 0.000 1.594 500 T HN 0.613 nan 8.240 nan 0.000 0.598 501 T N -2.304 112.333 114.554 0.139 0.000 3.169 501 T HA 0.142 4.492 4.350 -0.000 0.000 0.250 501 T C 0.508 175.277 174.700 0.114 0.000 1.111 501 T CA 0.097 62.261 62.100 0.108 0.000 1.010 501 T CB -0.407 68.511 68.868 0.083 0.000 0.984 501 T HN 0.468 nan 8.240 nan 0.000 0.537 502 D N 0.736 121.202 120.400 0.110 0.000 2.277 502 D HA 0.174 4.814 4.640 -0.000 0.000 0.209 502 D C 1.306 177.588 176.300 -0.030 0.000 0.970 502 D CA 0.236 54.237 54.000 0.002 0.000 0.874 502 D CB -0.389 40.335 40.800 -0.128 0.000 0.982 502 D HN 0.458 nan 8.370 nan 0.000 0.504 503 F N 1.341 121.254 119.950 -0.062 0.000 2.307 503 F HA -0.026 4.501 4.527 -0.000 0.000 0.301 503 F C 1.239 177.061 175.800 0.036 0.000 1.076 503 F CA 0.251 58.207 58.000 -0.073 0.000 1.383 503 F CB -0.409 38.381 39.000 -0.349 0.000 1.055 503 F HN -0.153 nan 8.300 nan 0.000 0.526 504 I N 2.045 122.683 120.570 0.113 0.000 2.683 504 I HA -0.076 4.094 4.170 -0.000 0.000 0.286 504 I C -1.428 174.644 176.117 -0.074 0.000 1.175 504 I CA -1.269 59.957 61.300 -0.124 0.000 1.429 504 I CB 0.416 38.218 38.000 -0.330 0.000 1.371 504 I HN -0.122 nan 8.210 nan 0.000 0.569 505 P HA -0.005 nan 4.420 nan 0.000 0.212 505 P C -0.170 177.169 177.300 0.064 0.000 1.171 505 P CA 0.507 63.456 63.100 -0.252 0.000 0.892 505 P CB 0.224 31.849 31.700 -0.125 0.000 0.769 506 S N -0.005 115.831 115.700 0.227 0.000 2.503 506 S HA 0.711 5.181 4.470 -0.000 0.000 0.301 506 S C -0.694 174.176 174.600 0.450 0.000 1.087 506 S CA -0.770 57.656 58.200 0.377 0.000 1.042 506 S CB 0.803 64.378 63.200 0.625 0.000 1.043 506 S HN 0.120 nan 8.310 nan 0.000 0.489 507 F N -0.207 119.935 119.950 0.319 0.000 2.565 507 F HA 0.776 5.303 4.527 -0.000 0.000 0.313 507 F C -0.376 175.617 175.800 0.321 0.000 1.091 507 F CA -1.209 56.966 58.000 0.291 0.000 0.915 507 F CB 1.391 40.609 39.000 0.364 0.000 1.208 507 F HN 0.572 nan 8.300 nan 0.000 0.453 508 R N 2.596 123.230 120.500 0.224 0.000 2.691 508 R HA 0.704 5.044 4.340 -0.000 0.000 0.259 508 R C -1.587 174.839 176.300 0.209 0.000 1.048 508 R CA -1.254 54.918 56.100 0.120 0.000 1.086 508 R CB 1.787 32.155 30.300 0.114 0.000 1.166 508 R HN 0.777 nan 8.270 nan 0.000 0.526 509 L N 2.666 123.967 121.223 0.130 0.000 2.555 509 L HA 0.297 4.637 4.340 -0.000 0.000 0.264 509 L C -1.156 175.782 176.870 0.115 0.000 0.972 509 L CA -0.628 54.327 54.840 0.191 0.000 0.876 509 L CB 1.625 43.786 42.059 0.171 0.000 1.216 509 L HN 0.488 nan 8.230 nan 0.000 0.415 510 V N 2.425 122.440 119.914 0.167 0.000 2.472 510 V HA 0.996 5.116 4.120 -0.000 0.000 0.290 510 V C -0.018 176.209 176.094 0.222 0.000 1.037 510 V CA -0.253 62.091 62.300 0.074 0.000 0.908 510 V CB 1.300 33.112 31.823 -0.018 0.000 0.985 510 V HN 0.913 nan 8.190 nan 0.000 0.454 511 A N 4.968 127.888 122.820 0.167 0.000 2.422 511 A HA 0.944 5.264 4.320 -0.000 0.000 0.302 511 A C -1.089 176.715 177.584 0.365 0.000 1.041 511 A CA -0.629 51.635 52.037 0.377 0.000 0.708 511 A CB 1.569 20.851 19.000 0.471 0.000 1.257 511 A HN 1.999 nan 8.150 nan 0.000 0.414 512 Y N -0.037 120.474 120.300 0.352 0.000 2.597 512 Y HA 0.807 5.357 4.550 -0.000 0.000 0.340 512 Y C -1.341 174.749 175.900 0.316 0.000 1.097 512 Y CA -1.571 56.670 58.100 0.234 0.000 1.037 512 Y CB 1.090 39.715 38.460 0.275 0.000 1.305 512 Y HN 0.995 nan 8.280 nan 0.000 0.463 513 Y N -0.672 119.724 120.300 0.160 0.000 2.524 513 Y HA 0.806 5.356 4.550 -0.000 0.000 0.347 513 Y C -1.038 174.827 175.900 -0.058 0.000 1.005 513 Y CA -1.262 56.763 58.100 -0.126 0.000 1.025 513 Y CB 1.879 40.202 38.460 -0.228 0.000 1.275 513 Y HN 0.903 nan 8.280 nan 0.000 0.460 514 T N 4.787 119.312 114.554 -0.048 0.000 2.893 514 T HA 0.795 5.145 4.350 -0.000 0.000 0.293 514 T C -1.232 173.389 174.700 -0.132 0.000 1.027 514 T CA -0.532 61.498 62.100 -0.116 0.000 0.988 514 T CB 0.727 69.470 68.868 -0.209 0.000 1.043 514 T HN 1.105 nan 8.240 nan 0.000 0.461 515 L N 1.472 122.640 121.223 -0.092 0.000 2.801 515 L HA 0.849 5.189 4.340 -0.000 0.000 0.264 515 L C -2.035 174.785 176.870 -0.083 0.000 1.086 515 L CA -1.434 53.359 54.840 -0.080 0.000 0.920 515 L CB 1.506 43.536 42.059 -0.049 0.000 1.529 515 L HN 0.474 nan 8.230 nan 0.000 0.399 516 I N 0.829 121.362 120.570 -0.061 0.000 2.378 516 I HA 0.939 5.109 4.170 -0.000 0.000 0.291 516 I C 0.502 176.573 176.117 -0.076 0.000 0.992 516 I CA 0.240 61.500 61.300 -0.066 0.000 1.154 516 I CB 1.332 39.310 38.000 -0.037 0.000 1.315 516 I HN 0.917 nan 8.210 nan 0.000 0.448 517 G N 2.654 111.351 108.800 -0.171 0.000 2.561 517 G HA2 0.658 4.618 3.960 -0.000 0.000 0.310 517 G HA3 0.658 4.618 3.960 -0.000 0.000 0.310 517 G C -0.058 174.665 174.900 -0.295 0.000 1.292 517 G CA 0.324 45.195 45.100 -0.382 0.000 0.811 517 G HN 1.012 nan 8.290 nan 0.000 0.482 518 A N -0.846 121.751 122.820 -0.372 0.000 1.315 518 A HA -0.134 4.186 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 2.868 54.817 52.037 -0.146 0.000 1.091 518 A CB -1.728 17.189 19.000 -0.140 0.000 1.471 518 A HN 2.460 nan 8.150 nan 0.000 0.722 519 S N -1.038 114.632 115.700 -0.050 0.000 2.630 519 S HA 0.515 4.985 4.470 -0.000 0.000 0.173 519 S C 0.910 175.496 174.600 -0.024 0.000 1.048 519 S CA 1.233 59.422 58.200 -0.020 0.000 1.172 519 S CB -0.339 62.851 63.200 -0.017 0.000 1.638 519 S HN 2.658 nan 8.310 nan 0.000 0.429 520 G N 2.164 110.949 108.800 -0.024 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 -0.138 174.739 174.900 -0.039 0.000 1.012 520 G CA 0.906 45.991 45.100 -0.025 0.000 0.749 520 G HN 0.731 nan 8.290 nan 0.000 0.512 521 Q N -0.693 119.072 119.800 -0.058 0.000 2.271 521 Q HA 0.593 4.933 4.340 -0.000 0.000 0.258 521 Q C 0.507 176.454 176.000 -0.089 0.000 0.936 521 Q CA -1.176 54.587 55.803 -0.067 0.000 0.909 521 Q CB 0.827 29.524 28.738 -0.069 0.000 1.253 521 Q HN 0.270 nan 8.270 nan 0.000 0.440 522 R N 2.707 123.157 120.500 -0.084 0.000 2.442 522 R HA 0.102 4.442 4.340 -0.000 0.000 0.291 522 R C -1.104 175.103 176.300 -0.155 0.000 1.069 522 R CA 0.428 56.465 56.100 -0.105 0.000 1.022 522 R CB 0.641 30.892 30.300 -0.081 0.000 0.976 522 R HN 0.727 nan 8.270 nan 0.000 0.443 523 E N 2.906 122.990 120.200 -0.193 0.000 2.293 523 E HA 0.470 4.820 4.350 -0.000 0.000 0.270 523 E C -1.594 174.790 176.600 -0.360 0.000 0.879 523 E CA -0.979 55.248 56.400 -0.287 0.000 0.756 523 E CB 1.762 31.325 29.700 -0.229 0.000 1.208 523 E HN 0.363 nan 8.360 nan 0.000 0.428 524 V N 3.923 123.459 119.914 -0.630 0.000 2.531 524 V HA 0.426 4.546 4.120 -0.000 0.000 0.301 524 V C -0.710 175.009 176.094 -0.625 0.000 1.034 524 V CA -0.761 61.155 62.300 -0.639 0.000 0.865 524 V CB 1.781 33.138 31.823 -0.778 0.000 0.995 524 V HN 0.513 nan 8.190 nan 0.000 0.424 525 V N 3.686 123.306 119.914 -0.491 0.000 2.540 525 V HA 0.945 5.065 4.120 -0.000 0.000 0.302 525 V C 0.164 176.106 176.094 -0.253 0.000 1.035 525 V CA -0.261 61.830 62.300 -0.349 0.000 0.873 525 V CB 1.654 33.137 31.823 -0.567 0.000 0.992 525 V HN 1.063 nan 8.190 nan 0.000 0.428 526 A N 3.323 126.143 122.820 -0.001 0.000 2.532 526 A HA 0.957 5.277 4.320 -0.000 0.000 0.290 526 A C -1.571 175.931 177.584 -0.136 0.000 1.143 526 A CA -0.503 51.508 52.037 -0.044 0.000 0.728 526 A CB 2.157 21.047 19.000 -0.184 0.000 1.317 526 A HN 0.744 nan 8.150 nan 0.000 0.414 527 D N -0.565 119.737 120.400 -0.162 0.000 2.937 527 D HA 0.513 5.153 4.640 -0.000 0.000 0.215 527 D C -0.748 175.461 176.300 -0.152 0.000 1.274 527 D CA 0.262 54.172 54.000 -0.149 0.000 0.869 527 D CB 1.836 42.550 40.800 -0.145 0.000 1.675 527 D HN 0.761 nan 8.370 nan 0.000 0.538 528 S N 1.241 116.870 115.700 -0.118 0.000 2.607 528 S HA 0.882 5.352 4.470 -0.000 0.000 0.303 528 S C -0.886 173.682 174.600 -0.052 0.000 1.086 528 S CA -0.756 57.395 58.200 -0.083 0.000 0.995 528 S CB 2.037 65.199 63.200 -0.063 0.000 1.084 528 S HN 0.585 nan 8.310 nan 0.000 0.507 529 V N 1.712 121.604 119.914 -0.036 0.000 2.851 529 V HA 0.680 4.800 4.120 -0.000 0.000 0.307 529 V C -2.318 173.790 176.094 0.022 0.000 1.129 529 V CA -0.580 61.697 62.300 -0.039 0.000 0.932 529 V CB 1.937 33.673 31.823 -0.146 0.000 1.024 529 V HN 1.071 nan 8.190 nan 0.000 0.426 530 W N 7.325 128.525 121.300 -0.168 0.000 2.361 530 W HA 0.775 5.435 4.660 -0.000 0.000 0.314 530 W C -1.509 174.852 176.519 -0.264 0.000 1.041 530 W CA -0.938 56.286 57.345 -0.202 0.000 1.241 530 W CB 1.413 30.804 29.460 -0.115 0.000 1.279 530 W HN 0.483 nan 8.180 nan 0.000 0.436 531 V N 6.292 125.891 119.914 -0.526 0.000 2.628 531 V HA 0.254 4.374 4.120 -0.000 0.000 0.306 531 V C -0.591 175.155 176.094 -0.580 0.000 1.045 531 V CA -0.711 61.190 62.300 -0.664 0.000 0.905 531 V CB 1.757 33.194 31.823 -0.642 0.000 0.997 531 V HN 0.446 nan 8.190 nan 0.000 0.436 532 D N 2.702 122.808 120.400 -0.490 0.000 2.233 532 D HA 0.514 5.154 4.640 -0.000 0.000 0.240 532 D C -0.583 175.664 176.300 -0.088 0.000 1.074 532 D CA -0.014 53.831 54.000 -0.258 0.000 0.838 532 D CB 1.829 42.430 40.800 -0.331 0.000 1.124 532 D HN 0.253 nan 8.370 nan 0.000 0.475 533 V N 3.236 123.162 119.914 0.020 0.000 2.713 533 V HA 0.290 4.410 4.120 -0.000 0.000 0.307 533 V C 0.354 176.400 176.094 -0.080 0.000 1.052 533 V CA -1.063 61.246 62.300 0.016 0.000 0.967 533 V CB 1.577 33.460 31.823 0.099 0.000 1.019 533 V HN 0.517 nan 8.190 nan 0.000 0.459 534 K N 2.317 122.666 120.400 -0.084 0.000 2.550 534 K HA -0.049 4.271 4.320 -0.000 0.000 0.280 534 K C -0.512 175.973 176.600 -0.192 0.000 0.987 534 K CA 0.520 56.743 56.287 -0.105 0.000 1.048 534 K CB -0.086 32.370 32.500 -0.074 0.000 0.879 534 K HN 0.610 nan 8.250 nan 0.000 0.491 535 D N 2.620 122.912 120.400 -0.179 0.000 2.411 535 D HA 0.223 4.863 4.640 -0.000 0.000 0.225 535 D C -0.660 175.554 176.300 -0.143 0.000 1.156 535 D CA 0.105 53.925 54.000 -0.301 0.000 0.874 535 D CB 0.445 41.139 40.800 -0.176 0.000 1.034 535 D HN 0.587 nan 8.370 nan 0.000 0.502 536 S N 0.153 115.759 115.700 -0.158 0.000 2.688 536 S HA 0.449 4.919 4.470 -0.000 0.000 0.275 536 S C -0.331 174.420 174.600 0.252 0.000 1.175 536 S CA -0.917 57.329 58.200 0.077 0.000 0.818 536 S CB 0.638 63.853 63.200 0.026 0.000 1.157 536 S HN 0.371 nan 8.310 nan 0.000 0.482 537 C N 1.913 121.364 119.300 0.252 0.000 2.642 537 C HA 0.205 4.665 4.460 -0.000 0.000 0.420 537 C C 2.418 177.544 174.990 0.227 0.000 1.349 537 C CA -0.332 58.848 59.018 0.270 0.000 1.821 537 C CB -0.363 27.451 27.740 0.124 0.000 2.637 537 C HN 0.681 nan 8.230 nan 0.000 0.605 538 V N 3.729 123.817 119.914 0.290 0.000 2.380 538 V HA -0.100 4.020 4.120 -0.000 0.000 0.251 538 V C 1.819 177.983 176.094 0.117 0.000 1.063 538 V CA 2.513 64.936 62.300 0.205 0.000 1.055 538 V CB -1.249 30.705 31.823 0.218 0.000 0.657 538 V HN 1.127 nan 8.190 nan 0.000 0.455 539 G N -0.994 107.863 108.800 0.095 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 0.053 0.000 2.018 539 G CA 0.658 45.797 45.100 0.064 0.000 0.751 539 G HN 0.815 nan 8.290 nan 0.000 0.770 540 S N -1.510 114.214 115.700 0.040 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 1.199 nan 8.310 nan 0.000 0.448 541 L N 2.488 123.719 121.223 0.012 0.000 2.541 541 L HA 0.802 5.142 4.340 -0.000 0.000 0.266 541 L C -1.709 175.163 176.870 0.004 0.000 0.966 541 L CA -0.227 54.615 54.840 0.004 0.000 0.871 541 L CB 1.717 43.769 42.059 -0.011 0.000 1.232 541 L HN 0.796 nan 8.230 nan 0.000 0.408 542 V N 5.003 124.922 119.914 0.007 0.000 2.680 542 V HA 0.701 4.821 4.120 -0.000 0.000 0.309 542 V C -0.737 175.362 176.094 0.007 0.000 1.052 542 V CA -0.759 61.544 62.300 0.007 0.000 0.908 542 V CB 2.210 34.038 31.823 0.009 0.000 1.001 542 V HN 0.407 nan 8.190 nan 0.000 0.431 543 V N 5.092 125.009 119.914 0.006 0.000 2.419 543 V HA 0.494 4.614 4.120 -0.000 0.000 0.287 543 V C -0.115 175.984 176.094 0.010 0.000 1.017 543 V CA -0.687 61.618 62.300 0.009 0.000 0.844 543 V CB 1.309 33.138 31.823 0.009 0.000 1.011 543 V HN 1.038 nan 8.190 nan 0.000 0.429 544 K N 1.826 122.233 120.400 0.011 0.000 2.331 544 K HA 0.781 5.101 4.320 -0.000 0.000 0.238 544 K C -0.167 176.440 176.600 0.012 0.000 1.058 544 K CA -0.725 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 -0.695 115.013 115.700 0.013 0.000 2.528 545 S HA 0.196 4.666 4.470 -0.000 0.000 0.277 545 S C 1.141 175.748 174.600 0.012 0.000 1.297 545 S CA -0.089 58.119 58.200 0.013 0.000 1.052 545 S CB 0.316 63.525 63.200 0.014 0.000 0.917 545 S HN 0.724 nan 8.310 nan 0.000 0.492 546 G N 3.370 112.177 108.800 0.012 0.000 2.418 546 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.217 546 G HA3 -0.092 3.868 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 0.413 45.520 45.100 0.011 0.000 0.771 546 G HN 0.706 nan 8.290 nan 0.000 0.545 547 Q N 1.134 120.940 119.800 0.010 0.000 2.276 547 Q HA 0.287 4.627 4.340 -0.000 0.000 0.267 547 Q C 1.053 177.058 176.000 0.008 0.000 1.135 547 Q CA 0.155 55.963 55.803 0.009 0.000 0.910 547 Q CB 0.862 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 1.715 117.419 115.700 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 -0.226 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 -1.607 174.998 176.600 0.007 0.000 1.131 549 E CA -0.566 55.838 56.400 0.007 0.000 0.884 549 E CB 0.659 30.363 29.700 0.005 0.000 1.564 549 E HN 0.155 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 -0.322 175.983 176.300 0.008 0.000 2.360 550 D CA 1.145 55.149 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 -0.462 120.042 120.500 0.008 0.000 3.006 551 R HA 0.541 4.881 4.340 -0.000 0.000 0.150 551 R C -0.239 176.068 176.300 0.012 0.000 1.285 551 R CA -0.468 55.638 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 1.271 121.079 119.800 0.012 0.000 2.261 552 Q HA 0.348 4.688 4.340 -0.000 0.000 0.252 552 Q C -1.943 174.061 176.000 0.007 0.000 0.915 552 Q CA -1.631 54.181 55.803 0.014 0.000 0.915 552 Q CB 0.511 29.260 28.738 0.018 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 -1.082 176.216 177.300 -0.003 0.000 1.298 553 P CA -0.485 62.617 63.100 0.004 0.000 0.757 553 P CB 0.553 32.258 31.700 0.009 0.000 1.262 554 V N -0.020 119.890 119.914 -0.005 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 -0.009 0.000 1.062 554 V CA -1.824 60.469 62.300 -0.013 0.000 0.901 554 V CB 1.575 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 64.933 63.100 -0.007 0.000 0.768 555 P CB 0.099 31.791 31.700 -0.013 0.000 0.746 556 G N 1.856 110.655 108.800 -0.001 0.000 2.213 556 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.226 556 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.226 556 G C 0.216 175.115 174.900 -0.000 0.000 0.992 556 G CA -0.126 44.973 45.100 -0.001 0.000 0.632 556 G HN 0.667 nan 8.290 nan 0.000 0.511 557 Q N 0.883 120.683 119.800 -0.000 0.000 2.340 557 Q HA 0.531 4.871 4.340 -0.000 0.000 0.249 557 Q C 0.342 176.345 176.000 0.004 0.000 0.957 557 Q CA -0.237 55.567 55.803 0.001 0.000 0.882 557 Q CB 0.398 29.136 28.738 -0.000 0.000 1.235 557 Q HN 0.577 nan 8.270 nan 0.000 0.439 558 Q N 2.389 122.191 119.800 0.004 0.000 2.260 558 Q HA 0.482 4.822 4.340 -0.000 0.000 0.238 558 Q C -0.615 175.389 176.000 0.007 0.000 0.948 558 Q CA -0.168 55.639 55.803 0.006 0.000 0.895 558 Q CB 1.353 30.093 28.738 0.005 0.000 1.218 558 Q HN 0.653 nan 8.270 nan 0.000 0.470 559 M N -1.759 117.847 119.600 0.009 0.000 2.325 559 M HA 0.425 4.905 4.480 -0.000 0.000 0.285 559 M C -1.230 175.076 176.300 0.011 0.000 1.119 559 M CA -0.812 54.493 55.300 0.010 0.000 0.959 559 M CB 1.976 34.583 32.600 0.012 0.000 1.737 559 M HN 0.257 nan 8.290 nan 0.000 0.486 560 T N 3.354 117.914 114.554 0.010 0.000 2.916 560 T HA 0.448 4.798 4.350 -0.000 0.000 0.303 560 T C -0.727 173.980 174.700 0.012 0.000 1.025 560 T CA -0.144 61.963 62.100 0.011 0.000 1.142 560 T CB 0.650 69.524 68.868 0.010 0.000 0.947 560 T HN 0.561 nan 8.240 nan 0.000 0.544 561 L N 3.949 125.179 121.223 0.013 0.000 2.401 561 L HA 0.411 4.751 4.340 -0.000 0.000 0.263 561 L C -0.044 176.835 176.870 0.014 0.000 1.004 561 L CA -0.495 54.354 54.840 0.014 0.000 0.881 561 L CB 0.907 42.975 42.059 0.016 0.000 1.219 561 L HN 0.492 nan 8.230 nan 0.000 0.441 562 K N 5.060 125.468 120.400 0.013 0.000 2.350 562 K HA 0.421 4.741 4.320 -0.000 0.000 0.279 562 K C -1.026 175.582 176.600 0.014 0.000 1.027 562 K CA -0.111 56.184 56.287 0.013 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 -0.749 175.379 176.117 0.017 0.000 1.038 563 I CA -0.522 60.787 61.300 0.015 0.000 1.083 563 I CB 1.842 39.851 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 0.016 0.000 2.035 564 E HA 0.530 4.880 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 56.055 56.400 0.019 0.000 0.777 564 E CB 1.864 31.574 29.700 0.017 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 0.025 0.000 3.105 565 G HA2 0.246 4.206 3.960 -0.000 0.000 0.277 565 G HA3 0.246 4.206 3.960 -0.000 0.000 0.277 565 G C -0.812 174.111 174.900 0.039 0.000 1.375 565 G CA -0.682 44.432 45.100 0.024 0.000 0.962 565 G HN 0.274 nan 8.290 nan 0.000 0.541 566 D N -0.169 120.253 120.400 0.037 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 0.182 54.218 54.000 0.059 0.000 0.917 566 D CB 1.187 42.015 40.800 0.047 0.000 1.192 566 D HN 0.396 nan 8.370 nan 0.000 0.428 567 H N -0.423 118.655 119.070 0.014 0.000 2.848 567 H HA 0.327 4.883 4.556 -0.000 0.000 0.341 567 H C 1.381 176.717 175.328 0.015 0.000 1.060 567 H CA 1.210 57.266 56.048 0.013 0.000 1.444 567 H CB 0.456 30.226 29.762 0.013 0.000 1.446 567 H HN 0.577 nan 8.280 nan 0.000 0.583 568 G N 2.309 110.715 108.800 -0.657 0.000 2.179 568 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 568 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 568 G C 0.337 175.130 174.900 -0.179 0.000 0.977 568 G CA 0.298 45.123 45.100 -0.458 0.000 0.641 568 G HN 0.993 nan 8.290 nan 0.000 0.533 569 A N -0.015 122.738 122.820 -0.112 0.000 2.327 569 A HA 0.762 5.082 4.320 -0.000 0.000 0.283 569 A C 0.584 178.147 177.584 -0.036 0.000 1.127 569 A CA 0.328 52.336 52.037 -0.049 0.000 0.810 569 A CB 0.503 19.490 19.000 -0.023 0.000 1.066 569 A HN 0.810 nan 8.150 nan 0.000 0.492 570 R N 1.998 122.490 120.500 -0.014 0.000 2.312 570 R HA 0.558 4.898 4.340 -0.000 0.000 0.311 570 R C -1.632 174.678 176.300 0.017 0.000 1.004 570 R CA -0.278 55.824 56.100 0.003 0.000 0.902 570 R CB 0.930 31.241 30.300 0.017 0.000 1.073 570 R HN 0.441 nan 8.270 nan 0.000 0.457 571 V N 6.022 125.947 119.914 0.019 0.000 2.448 571 V HA 0.288 4.408 4.120 -0.000 0.000 0.295 571 V C -0.213 175.909 176.094 0.046 0.000 1.025 571 V CA -0.819 61.496 62.300 0.025 0.000 0.859 571 V CB 1.588 33.418 31.823 0.013 0.000 0.988 571 V HN 0.652 nan 8.190 nan 0.000 0.431 572 V N 4.467 124.428 119.914 0.077 0.000 2.427 572 V HA 0.715 4.835 4.120 -0.000 0.000 0.286 572 V C -0.398 175.743 176.094 0.078 0.000 1.034 572 V CA -0.504 61.853 62.300 0.095 0.000 0.893 572 V CB 1.274 33.202 31.823 0.175 0.000 0.982 572 V HN 0.648 nan 8.190 nan 0.000 0.452 573 L N 4.598 125.857 121.223 0.060 0.000 2.304 573 L HA 0.941 5.281 4.340 -0.000 0.000 0.268 573 L C -0.461 176.443 176.870 0.058 0.000 1.010 573 L CA -1.104 53.767 54.840 0.052 0.000 0.813 573 L CB 2.118 44.199 42.059 0.037 0.000 1.315 573 L HN 0.664 nan 8.230 nan 0.000 0.445 574 V N 0.514 120.463 119.914 0.059 0.000 2.915 574 V HA 0.707 4.827 4.120 -0.000 0.000 0.282 574 V C -1.608 174.528 176.094 0.069 0.000 1.445 574 V CA -0.222 62.116 62.300 0.064 0.000 0.953 574 V CB 1.899 33.771 31.823 0.082 0.000 1.140 574 V HN 0.875 nan 8.190 nan 0.000 0.440 575 A N 5.933 128.789 122.820 0.061 0.000 2.331 575 A HA 0.949 5.269 4.320 -0.000 0.000 0.320 575 A C -1.160 176.463 177.584 0.066 0.000 1.138 575 A CA -0.538 51.540 52.037 0.068 0.000 0.790 575 A CB 1.873 20.905 19.000 0.052 0.000 1.206 575 A HN 1.397 nan 8.150 nan 0.000 0.470 576 V N 2.114 122.087 119.914 0.098 0.000 2.709 576 V HA 0.284 4.404 4.120 -0.000 0.000 0.308 576 V C -0.616 175.530 176.094 0.087 0.000 1.062 576 V CA -0.824 61.510 62.300 0.057 0.000 0.901 576 V CB 2.034 33.869 31.823 0.019 0.000 1.003 576 V HN 0.982 nan 8.190 nan 0.000 0.425 577 D N 2.909 123.317 120.400 0.014 0.000 2.450 577 D HA 0.080 4.720 4.640 -0.000 0.000 0.247 577 D C 1.150 177.485 176.300 0.059 0.000 1.162 577 D CA 0.325 54.349 54.000 0.040 0.000 0.879 577 D CB 1.119 41.926 40.800 0.011 0.000 1.163 577 D HN 0.512 nan 8.370 nan 0.000 0.472 578 K N 2.329 122.832 120.400 0.171 0.000 2.211 578 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 578 K C 1.872 178.570 176.600 0.163 0.000 1.047 578 K CA 1.033 57.498 56.287 0.296 0.000 0.935 578 K CB -0.063 32.556 32.500 0.199 0.000 0.728 578 K HN 0.585 nan 8.250 nan 0.000 0.452 579 G N 0.930 109.758 108.800 0.047 0.000 2.462 579 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 579 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 579 G C 1.475 176.308 174.900 -0.112 0.000 1.121 579 G CA 0.676 45.764 45.100 -0.019 0.000 0.758 579 G HN 0.117 nan 8.290 nan 0.000 0.559 580 V N 0.217 119.997 119.914 -0.223 0.000 2.427 580 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 580 V C 2.332 178.181 176.094 -0.408 0.000 1.051 580 V CA 1.246 63.296 62.300 -0.417 0.000 1.048 580 V CB -0.620 30.836 31.823 -0.611 0.000 0.666 580 V HN 0.342 nan 8.190 nan 0.000 0.456 581 F N -0.293 119.602 119.950 -0.091 0.000 2.604 581 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 581 F C 2.083 177.834 175.800 -0.081 0.000 1.131 581 F CA 0.543 58.499 58.000 -0.073 0.000 1.457 581 F CB -0.892 38.082 39.000 -0.044 0.000 1.095 581 F HN -0.028 nan 8.300 nan 0.000 0.574 582 V N -0.579 119.352 119.914 0.029 0.000 2.667 582 V HA -0.208 3.912 4.120 -0.000 0.000 0.252 582 V C 1.973 178.020 176.094 -0.078 0.000 1.065 582 V CA 1.249 63.527 62.300 -0.036 0.000 1.083 582 V CB -0.440 31.325 31.823 -0.097 0.000 0.692 582 V HN 0.225 nan 8.190 nan 0.000 0.468 583 L N -0.378 120.772 121.223 -0.121 0.000 2.354 583 L HA 0.295 4.635 4.340 -0.000 0.000 0.212 583 L C 0.713 177.523 176.870 -0.101 0.000 1.091 583 L CA 0.948 55.702 54.840 -0.143 0.000 0.828 583 L CB -0.231 41.678 42.059 -0.250 0.000 0.973 583 L HN 0.406 nan 8.230 nan 0.000 0.461 584 N N -0.320 118.335 118.700 -0.075 0.000 2.648 584 N HA 0.114 4.854 4.740 -0.000 0.000 0.272 584 N C -0.313 175.250 175.510 0.088 0.000 1.118 584 N CA -0.156 52.887 53.050 -0.013 0.000 0.973 584 N CB 1.132 39.594 38.487 -0.042 0.000 1.565 584 N HN 0.165 nan 8.380 nan 0.000 0.542 585 K N 1.039 121.515 120.400 0.127 0.000 2.402 585 K HA 0.343 4.663 4.320 -0.000 0.000 0.204 585 K C -0.125 176.559 176.600 0.140 0.000 1.056 585 K CA -0.235 56.175 56.287 0.205 0.000 1.069 585 K CB 0.653 33.230 32.500 0.129 0.000 0.888 585 K HN 0.198 nan 8.250 nan 0.000 0.546 586 K N 1.373 121.838 120.400 0.108 0.000 2.090 586 K HA 0.227 4.547 4.320 -0.000 0.000 0.250 586 K C -0.415 176.254 176.600 0.115 0.000 1.004 586 K CA -0.408 55.935 56.287 0.092 0.000 0.919 586 K CB 0.429 32.971 32.500 0.070 0.000 1.045 586 K HN 0.186 nan 8.250 nan 0.000 0.471 587 N N 0.202 118.967 118.700 0.108 0.000 2.747 587 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 587 N C -0.825 174.772 175.510 0.145 0.000 1.107 587 N CA 0.510 53.636 53.050 0.127 0.000 0.707 587 N CB -0.738 37.833 38.487 0.140 0.000 1.054 587 N HN 0.421 nan 8.380 nan 0.000 0.555 588 K N 0.169 120.647 120.400 0.130 0.000 2.318 588 K HA 0.497 4.817 4.320 -0.000 0.000 0.243 588 K C -0.180 176.481 176.600 0.102 0.000 1.047 588 K CA -0.491 55.876 56.287 0.132 0.000 0.937 588 K CB 0.540 33.102 32.500 0.104 0.000 1.225 588 K HN -0.013 nan 8.250 nan 0.000 0.506 589 L N 0.791 122.061 121.223 0.078 0.000 2.342 589 L HA 0.327 4.667 4.340 -0.000 0.000 0.276 589 L C -1.256 175.600 176.870 -0.024 0.000 0.997 589 L CA 0.262 55.122 54.840 0.034 0.000 0.838 589 L CB 1.407 43.493 42.059 0.045 0.000 1.224 589 L HN 0.481 nan 8.230 nan 0.000 0.416 590 T N 2.718 117.245 114.554 -0.046 0.000 2.893 590 T HA 0.208 4.558 4.350 -0.000 0.000 0.291 590 T C 0.528 175.159 174.700 -0.116 0.000 1.028 590 T CA -0.246 61.818 62.100 -0.061 0.000 0.995 590 T CB 1.991 70.848 68.868 -0.020 0.000 1.051 590 T HN 0.547 nan 8.240 nan 0.000 0.470 591 Q N 1.600 121.330 119.800 -0.117 0.000 2.181 591 Q HA -0.098 4.242 4.340 -0.000 0.000 0.205 591 Q C 2.315 178.261 176.000 -0.090 0.000 0.980 591 Q CA 2.013 57.712 55.803 -0.173 0.000 0.862 591 Q CB -0.402 28.305 28.738 -0.052 0.000 0.905 591 Q HN 0.657 nan 8.270 nan 0.000 0.429 592 S N -0.675 115.055 115.700 0.051 0.000 2.383 592 S HA -0.097 4.373 4.470 -0.000 0.000 0.227 592 S C 1.567 176.226 174.600 0.098 0.000 1.026 592 S CA 1.148 59.440 58.200 0.153 0.000 0.981 592 S CB -0.077 63.193 63.200 0.118 0.000 0.818 592 S HN 0.432 nan 8.310 nan 0.000 0.472 593 K N 0.395 120.807 120.400 0.020 0.000 2.288 593 K HA 0.090 4.410 4.320 -0.000 0.000 0.201 593 K C 1.853 178.446 176.600 -0.011 0.000 1.048 593 K CA 1.044 57.348 56.287 0.027 0.000 0.956 593 K CB -0.165 32.353 32.500 0.029 0.000 0.746 593 K HN 0.457 nan 8.250 nan 0.000 0.461 594 I N -0.657 119.812 120.570 -0.169 0.000 2.233 594 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 594 I C 1.841 177.816 176.117 -0.238 0.000 1.093 594 I CA 1.360 62.465 61.300 -0.325 0.000 1.380 594 I CB -0.294 37.260 38.000 -0.744 0.000 1.067 594 I HN 0.270 nan 8.210 nan 0.000 0.413 595 W N 1.128 122.421 121.300 -0.012 0.000 2.374 595 W HA -0.213 4.447 4.660 -0.000 0.000 0.288 595 W C 2.218 178.761 176.519 0.041 0.000 1.218 595 W CA 0.585 57.941 57.345 0.018 0.000 1.245 595 W CB -0.392 29.086 29.460 0.030 0.000 1.126 595 W HN 0.173 nan 8.180 nan 0.000 0.545 596 D N 0.141 120.683 120.400 0.236 0.000 2.178 596 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 596 D C 1.947 178.327 176.300 0.133 0.000 0.980 596 D CA 1.218 55.320 54.000 0.171 0.000 0.842 596 D CB -0.073 40.807 40.800 0.133 0.000 0.948 596 D HN -0.023 nan 8.370 nan 0.000 0.472 597 V N -0.335 119.641 119.914 0.104 0.000 2.407 597 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 597 V C 2.655 178.789 176.094 0.066 0.000 1.041 597 V CA 0.961 63.309 62.300 0.080 0.000 1.040 597 V CB -0.217 31.646 31.823 0.066 0.000 0.671 597 V HN 0.091 nan 8.190 nan 0.000 0.455 598 V N -0.129 119.818 119.914 0.054 0.000 2.332 598 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 598 V C 2.639 178.832 176.094 0.164 0.000 1.055 598 V CA 2.025 64.385 62.300 0.099 0.000 1.038 598 V CB -0.560 31.383 31.823 0.201 0.000 0.651 598 V HN 0.532 nan 8.190 nan 0.000 0.450 599 E N 0.448 120.755 120.200 0.178 0.000 2.106 599 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 599 E C 2.254 178.900 176.600 0.077 0.000 0.984 599 E CA 1.087 57.572 56.400 0.141 0.000 0.806 599 E CB -0.062 29.742 29.700 0.174 0.000 0.750 599 E HN 0.570 nan 8.360 nan 0.000 0.458 600 K N -0.198 120.255 120.400 0.088 0.000 2.211 600 K HA -0.018 4.302 4.320 -0.000 0.000 0.203 600 K C 1.574 178.216 176.600 0.070 0.000 1.050 600 K CA 0.886 57.212 56.287 0.066 0.000 0.945 600 K CB 0.067 32.613 32.500 0.076 0.000 0.732 600 K HN -0.023 nan 8.250 nan 0.000 0.451 601 A N 1.504 124.390 122.820 0.110 0.000 2.370 601 A HA -0.002 4.318 4.320 -0.000 0.000 0.238 601 A C -0.117 177.531 177.584 0.106 0.000 1.289 601 A CA -0.197 51.924 52.037 0.141 0.000 0.885 601 A CB -0.155 19.001 19.000 0.261 0.000 0.961 601 A HN 0.082 nan 8.150 nan 0.000 0.499 602 D N 0.363 120.791 120.400 0.047 0.000 2.345 602 D HA 0.211 4.851 4.640 -0.000 0.000 0.247 602 D C 1.389 177.673 176.300 -0.026 0.000 1.108 602 D CA -0.261 53.737 54.000 -0.004 0.000 0.894 602 D CB 0.648 41.389 40.800 -0.098 0.000 1.203 602 D HN 0.370 nan 8.370 nan 0.000 0.430 603 I N 0.095 120.652 120.570 -0.021 0.000 3.419 603 I HA 0.331 4.501 4.170 -0.000 0.000 0.286 603 I C 1.005 177.097 176.117 -0.041 0.000 1.268 603 I CA -0.393 60.898 61.300 -0.015 0.000 1.414 603 I CB -0.045 37.961 38.000 0.009 0.000 1.074 603 I HN 0.186 nan 8.210 nan 0.000 0.457 604 G N 0.601 109.343 108.800 -0.098 0.000 2.372 604 G HA2 0.397 4.357 3.960 -0.000 0.000 0.283 604 G HA3 0.397 4.357 3.960 -0.000 0.000 0.283 604 G C -0.235 174.559 174.900 -0.177 0.000 1.177 604 G CA -0.318 44.701 45.100 -0.134 0.000 0.842 604 G HN 0.462 nan 8.290 nan 0.000 0.503 605 c N 1.386 119.924 118.600 -0.104 0.000 2.969 605 c HA 0.499 5.069 4.570 -0.000 0.000 0.260 605 c C 0.471 174.548 174.090 -0.023 0.000 1.618 605 c CA -0.451 55.833 56.329 -0.076 0.000 1.774 605 c CB -1.281 41.216 42.510 -0.021 0.000 3.063 605 c HN 0.693 nan 8.230 nan 0.000 0.506 606 T N 1.207 115.745 114.554 -0.027 0.000 3.105 606 T HA 0.220 4.570 4.350 -0.000 0.000 0.321 606 T C -2.332 172.454 174.700 0.144 0.000 1.135 606 T CA -0.306 61.845 62.100 0.085 0.000 1.053 606 T CB 2.230 71.180 68.868 0.137 0.000 1.133 606 T HN -0.216 nan 8.240 nan 0.000 0.463 607 P HA 0.123 nan 4.420 nan 0.000 0.223 607 P C 0.623 178.087 177.300 0.273 0.000 1.144 607 P CA 1.092 64.450 63.100 0.429 0.000 0.783 607 P CB 0.073 31.959 31.700 0.310 0.000 0.771 608 G N -3.214 105.708 108.800 0.204 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 -0.747 174.261 174.900 0.180 0.000 1.421 608 G CA -0.017 45.167 45.100 0.139 0.000 0.934 608 G HN 0.082 nan 8.290 nan 0.000 0.632 609 S N -2.268 113.506 115.700 0.122 0.000 3.769 609 S HA 0.422 4.892 4.470 -0.000 0.000 0.656 609 S C 0.663 175.361 174.600 0.163 0.000 1.960 609 S CA 1.605 59.904 58.200 0.165 0.000 2.104 609 S CB -0.871 62.508 63.200 0.299 0.000 0.328 609 S HN 2.915 nan 8.310 nan 0.000 1.640 610 G N 0.255 109.090 108.800 0.059 0.000 2.550 610 G HA2 0.530 4.490 3.960 -0.000 0.000 0.293 610 G HA3 0.530 4.490 3.960 -0.000 0.000 0.293 610 G C 0.081 174.375 174.900 -1.009 0.000 1.402 610 G CA 0.247 45.058 45.100 -0.482 0.000 0.784 610 G HN 0.974 nan 8.290 nan 0.000 0.482 611 K N -1.105 118.389 120.400 -1.510 0.000 2.057 611 K HA 0.085 4.405 4.320 -0.000 0.000 0.206 611 K C 0.421 176.655 176.600 -0.611 0.000 1.050 611 K CA 1.801 57.552 56.287 -0.893 0.000 0.935 611 K CB -0.150 32.054 32.500 -0.494 0.000 0.715 611 K HN 0.539 nan 8.250 nan 0.000 0.439 612 D N -1.035 119.004 120.400 -0.602 0.000 2.867 612 D HA -0.021 4.619 4.640 -0.000 0.000 0.308 612 D C 0.957 177.091 176.300 -0.277 0.000 1.202 612 D CA -0.761 52.746 54.000 -0.822 0.000 1.035 612 D CB -0.178 40.297 40.800 -0.541 0.000 1.427 612 D HN 0.099 nan 8.370 nan 0.000 0.570 613 Y N -1.177 119.046 120.300 -0.128 0.000 2.242 613 Y HA 0.240 4.790 4.550 -0.000 0.000 0.291 613 Y C 2.051 178.023 175.900 0.121 0.000 1.137 613 Y CA 1.270 59.450 58.100 0.133 0.000 1.181 613 Y CB -0.773 37.711 38.460 0.039 0.000 0.989 613 Y HN 0.340 nan 8.280 nan 0.000 0.527 614 A N 0.922 123.233 122.820 -0.848 0.000 2.167 614 A HA 0.171 4.491 4.320 -0.000 0.000 0.214 614 A C 2.259 179.727 177.584 -0.192 0.000 1.151 614 A CA 1.019 52.736 52.037 -0.533 0.000 0.735 614 A CB -1.220 17.343 19.000 -0.727 0.000 0.802 614 A HN 0.635 nan 8.150 nan 0.000 0.467 615 G N -1.040 107.642 108.800 -0.197 0.000 2.545 615 G HA2 0.100 4.060 3.960 -0.000 0.000 0.212 615 G HA3 0.100 4.060 3.960 -0.000 0.000 0.212 615 G C 1.379 176.245 174.900 -0.058 0.000 1.144 615 G CA 0.879 45.892 45.100 -0.146 0.000 0.813 615 G HN 0.208 nan 8.290 nan 0.000 0.531 616 V N 0.729 120.632 119.914 -0.019 0.000 2.287 616 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 616 V C 2.486 178.537 176.094 -0.072 0.000 1.053 616 V CA 1.702 63.973 62.300 -0.048 0.000 1.027 616 V CB -0.612 31.154 31.823 -0.095 0.000 0.646 616 V HN 0.336 nan 8.190 nan 0.000 0.447 617 F N 0.540 120.497 119.950 0.012 0.000 2.075 617 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 617 F C 2.731 178.550 175.800 0.031 0.000 1.113 617 F CA 1.913 59.938 58.000 0.042 0.000 1.218 617 F CB -0.831 38.199 39.000 0.048 0.000 0.984 617 F HN 0.025 nan 8.300 nan 0.000 0.472 618 S N -0.491 115.326 115.700 0.194 0.000 2.382 618 S HA -0.181 4.289 4.470 -0.000 0.000 0.228 618 S C 1.284 175.924 174.600 0.067 0.000 1.027 618 S CA 1.488 59.750 58.200 0.103 0.000 0.991 618 S CB -0.396 62.833 63.200 0.049 0.000 0.823 618 S HN 0.313 nan 8.310 nan 0.000 0.469 619 D N 0.963 121.394 120.400 0.052 0.000 2.363 619 D HA 0.229 4.869 4.640 -0.000 0.000 0.226 619 D C 1.113 177.434 176.300 0.034 0.000 1.020 619 D CA 0.365 54.393 54.000 0.046 0.000 0.892 619 D CB 0.035 40.873 40.800 0.064 0.000 0.900 619 D HN 0.420 nan 8.370 nan 0.000 0.531 620 A N -0.720 122.125 122.820 0.042 0.000 2.508 620 A HA 0.534 4.854 4.320 -0.000 0.000 0.250 620 A C 1.328 178.941 177.584 0.049 0.000 1.208 620 A CA 0.355 52.411 52.037 0.032 0.000 0.960 620 A CB 0.346 19.364 19.000 0.031 0.000 1.099 620 A HN 0.097 nan 8.150 nan 0.000 0.542 621 G N -0.144 108.694 108.800 0.063 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 -0.385 174.585 174.900 0.117 0.000 1.106 621 G CA 0.378 45.519 45.100 0.068 0.000 0.900 621 G HN 0.598 nan 8.290 nan 0.000 0.495 622 L N -0.693 120.629 121.223 0.165 0.000 2.479 622 L HA 0.874 5.214 4.340 -0.000 0.000 0.255 622 L C 0.160 177.148 176.870 0.197 0.000 1.026 622 L CA -0.637 54.337 54.840 0.223 0.000 0.842 622 L CB 2.665 44.951 42.059 0.378 0.000 1.444 622 L HN 0.461 nan 8.230 nan 0.000 0.409 623 T N -1.528 113.106 114.554 0.134 0.000 2.879 623 T HA 0.566 4.916 4.350 -0.000 0.000 0.290 623 T C -1.089 173.571 174.700 -0.066 0.000 0.993 623 T CA -0.432 61.693 62.100 0.042 0.000 0.975 623 T CB 1.417 70.300 68.868 0.025 0.000 0.981 623 T HN 0.307 nan 8.240 nan 0.000 0.439 624 F N 2.499 122.236 119.950 -0.355 0.000 2.443 624 F HA 0.686 5.213 4.527 -0.000 0.000 0.335 624 F C -0.419 175.224 175.800 -0.262 0.000 1.104 624 F CA -0.075 57.614 58.000 -0.518 0.000 1.013 624 F CB 1.907 40.264 39.000 -1.072 0.000 1.136 624 F HN 0.768 nan 8.300 nan 0.000 0.470 625 T N 3.701 117.884 114.554 -0.618 0.000 3.172 625 T HA 0.432 4.782 4.350 -0.000 0.000 0.320 625 T C -1.061 173.409 174.700 -0.384 0.000 1.085 625 T CA -0.889 61.036 62.100 -0.292 0.000 1.052 625 T CB 1.315 70.095 68.868 -0.146 0.000 1.107 625 T HN 0.636 nan 8.240 nan 0.000 0.458 626 S N 0.691 116.303 115.700 -0.147 0.000 2.709 626 S HA 0.653 5.123 4.470 -0.000 0.000 0.302 626 S C 1.229 175.829 174.600 -0.000 0.000 1.127 626 S CA -0.296 57.856 58.200 -0.080 0.000 0.905 626 S CB 1.633 64.872 63.200 0.065 0.000 1.151 626 S HN 0.681 nan 8.310 nan 0.000 0.510 627 S N 0.048 115.753 115.700 0.009 0.000 2.562 627 S HA 0.050 4.520 4.470 -0.000 0.000 0.221 627 S C 1.235 175.852 174.600 0.027 0.000 0.975 627 S CA 0.511 58.736 58.200 0.043 0.000 0.918 627 S CB -0.605 62.652 63.200 0.095 0.000 0.772 627 S HN 0.561 nan 8.310 nan 0.000 0.531 628 S N 0.607 116.316 115.700 0.016 0.000 2.458 628 S HA 0.464 4.934 4.470 -0.000 0.000 0.223 628 S C 1.634 176.246 174.600 0.019 0.000 1.019 628 S CA 0.584 58.788 58.200 0.007 0.000 0.937 628 S CB 0.171 63.365 63.200 -0.010 0.000 0.788 628 S HN 0.920 nan 8.310 nan 0.000 0.511 629 G N 0.524 109.348 108.800 0.040 0.000 2.480 629 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.193 629 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.193 629 G C -0.268 174.682 174.900 0.084 0.000 1.004 629 G CA -0.757 44.371 45.100 0.047 0.000 0.696 629 G HN 0.359 nan 8.290 nan 0.000 0.478 630 Q N 2.102 121.972 119.800 0.117 0.000 2.257 630 Q HA 0.472 4.812 4.340 -0.000 0.000 0.273 630 Q C 0.568 176.753 176.000 0.308 0.000 1.153 630 Q CA 0.689 56.623 55.803 0.219 0.000 0.922 630 Q CB 0.384 29.194 28.738 0.120 0.000 1.242 630 Q HN 0.838 nan 8.270 nan 0.000 0.409 631 Q N 0.194 120.121 119.800 0.211 0.000 2.552 631 Q HA 0.755 5.095 4.340 -0.000 0.000 0.289 631 Q C -0.538 175.474 176.000 0.020 0.000 1.097 631 Q CA -1.074 54.812 55.803 0.139 0.000 0.812 631 Q CB 1.162 29.931 28.738 0.050 0.000 1.460 631 Q HN 0.462 nan 8.270 nan 0.000 0.452 632 T N -2.141 112.403 114.554 -0.016 0.000 2.862 632 T HA 0.708 5.058 4.350 -0.000 0.000 0.276 632 T C 0.267 174.923 174.700 -0.073 0.000 0.974 632 T CA -0.479 61.572 62.100 -0.081 0.000 0.966 632 T CB 0.913 69.764 68.868 -0.028 0.000 1.072 632 T HN 0.771 nan 8.240 nan 0.000 0.538 633 A N 1.160 123.932 122.820 -0.080 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 51.454 52.037 -0.062 0.000 0.778 633 A CB -0.332 18.630 19.000 -0.064 0.000 1.031 633 A HN 0.882 nan 8.150 nan 0.000 0.494 634 Q N 2.084 121.861 119.800 -0.038 0.000 2.247 634 Q HA 0.080 4.420 4.340 -0.000 0.000 0.288 634 Q C 0.030 176.020 176.000 -0.016 0.000 1.079 634 Q CA 0.311 56.092 55.803 -0.036 0.000 0.932 634 Q CB 0.286 28.989 28.738 -0.057 0.000 1.133 634 Q HN 0.677 nan 8.270 nan 0.000 0.377 635 R N 3.314 123.817 120.500 0.005 0.000 2.338 635 R HA 0.510 4.850 4.340 -0.000 0.000 0.317 635 R C -0.828 175.512 176.300 0.067 0.000 0.968 635 R CA 0.282 56.401 56.100 0.031 0.000 0.849 635 R CB 1.031 31.355 30.300 0.040 0.000 1.128 635 R HN 0.701 nan 8.270 nan 0.000 0.448 636 A N 3.986 126.850 122.820 0.075 0.000 2.605 636 A HA 0.202 4.522 4.320 -0.000 0.000 0.292 636 A C -0.627 177.033 177.584 0.127 0.000 1.055 636 A CA -0.320 51.804 52.037 0.146 0.000 0.969 636 A CB 0.533 19.583 19.000 0.083 0.000 1.236 636 A HN 0.645 nan 8.150 nan 0.000 0.534 637 E N -0.128 120.119 120.200 0.078 0.000 2.224 637 E HA 0.627 4.977 4.350 -0.000 0.000 0.265 637 E C 0.659 177.279 176.600 0.033 0.000 0.878 637 E CA -0.546 55.885 56.400 0.051 0.000 0.759 637 E CB 1.129 30.852 29.700 0.038 0.000 1.164 637 E HN 0.206 nan 8.360 nan 0.000 0.414 638 L N 1.734 122.967 121.223 0.017 0.000 1.943 638 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 638 L C 0.786 177.662 176.870 0.010 0.000 1.074 638 L CA 1.143 55.985 54.840 0.003 0.000 0.759 638 L CB -0.434 41.619 42.059 -0.010 0.000 0.888 638 L HN 0.549 nan 8.230 nan 0.000 0.433 639 Q N -0.782 119.024 119.800 0.011 0.000 2.474 639 Q HA 0.080 4.420 4.340 -0.000 0.000 0.256 639 Q C -0.037 175.971 176.000 0.013 0.000 1.048 639 Q CA -0.058 55.752 55.803 0.012 0.000 0.922 639 Q CB 0.509 29.255 28.738 0.013 0.000 1.288 639 Q HN 0.282 nan 8.270 nan 0.000 0.484 640 c N 2.189 120.794 118.600 0.009 0.000 2.705 640 c HA 0.206 4.776 4.570 -0.000 0.000 0.348 640 c C -1.755 172.345 174.090 0.017 0.000 1.386 640 c CA -0.925 55.409 56.329 0.008 0.000 2.361 640 c CB -0.904 41.602 42.510 -0.005 0.000 2.486 640 c HN 0.694 nan 8.230 nan 0.000 0.728 641 P HA 0.073 nan 4.420 nan 0.000 0.262 641 P C -0.842 176.476 177.300 0.029 0.000 1.182 641 P CA 0.493 63.610 63.100 0.029 0.000 0.761 641 P CB 0.117 31.840 31.700 0.038 0.000 0.795 642 Q N 4.356 124.173 119.800 0.029 0.000 2.256 642 Q HA 0.023 4.363 4.340 -0.000 0.000 0.281 642 Q C -1.681 174.341 176.000 0.036 0.000 1.162 642 Q CA -1.173 54.647 55.803 0.030 0.000 0.943 642 Q CB -0.684 28.070 28.738 0.027 0.000 1.195 642 Q HN 0.339 nan 8.270 nan 0.000 0.403 643 P HA -0.104 nan 4.420 nan 0.000 0.250 643 P C -0.697 176.635 177.300 0.053 0.000 1.161 643 P CA 0.433 63.563 63.100 0.050 0.000 0.863 643 P CB 0.221 31.953 31.700 0.053 0.000 0.827 644 A N 4.055 126.906 122.820 0.053 0.000 3.258 644 A HA 0.563 4.883 4.320 -0.000 0.000 0.275 644 A C 0.985 178.603 177.584 0.057 0.000 1.452 644 A CA 0.223 52.290 52.037 0.049 0.000 1.120 644 A CB -1.129 17.896 19.000 0.041 0.000 1.107 644 A HN 0.678 nan 8.150 nan 0.000 0.651 645 A N 0.000 122.862 122.820 0.070 0.000 2.254 645 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 645 A CA 0.000 52.088 52.037 0.084 0.000 0.836 645 A CB 0.000 19.044 19.000 0.074 0.000 0.831 645 A HN 0.000 nan 8.150 nan 0.000 0.486