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 3llc_1_A DATA FIRST_RESID 6 DATA SEQUENCE RPIETHAITV GQGSDARSIA ALVRAPAQDE RPTCIWLGGY RSDXTGTKAL DATA SEQUENCE EXDDLAASLG VGAIRFDYSG HGASGGAFRD GTISRWLEEA LAVLDHFKPE DATA SEQUENCE KAILVGSSXG GWIALRLIQE LKARHDNPTQ VSGXVLIAPA PDFTSDLIEP DATA SEQUENCE LLGDRERAEL AENGYFEEVS EYSPEPNIFT RALXEDGRAN RVXAGXIDTG DATA SEQUENCE CPVHILQGXA DPDVPYQHAL KLVEHLPADD VVLTLVRDGD HRLSRPQDID DATA SEQUENCE RXRNAIRAXI E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.299 176.300 -0.002 0.000 0.893 6 R CA 0.000 56.100 56.100 0.001 0.000 0.921 6 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 7 P HA 0.380 nan 4.420 nan 0.000 0.276 7 P C 0.139 177.441 177.300 0.003 0.000 1.244 7 P CA -0.539 62.562 63.100 0.000 0.000 0.801 7 P CB 1.026 32.728 31.700 0.003 0.000 1.006 8 I N 1.326 121.894 120.570 -0.003 0.000 2.556 8 I HA 0.062 4.232 4.170 0.002 0.000 0.284 8 I C 0.935 177.062 176.117 0.017 0.000 1.114 8 I CA 0.277 61.577 61.300 0.001 0.000 1.418 8 I CB 0.099 38.092 38.000 -0.011 0.000 1.394 8 I HN 0.293 nan 8.210 nan 0.000 0.552 9 E N 3.810 124.038 120.200 0.048 0.000 2.207 9 E HA 0.381 4.732 4.350 0.002 0.000 0.270 9 E C -0.506 176.134 176.600 0.067 0.000 0.927 9 E CA -0.852 55.577 56.400 0.049 0.000 0.799 9 E CB 1.879 31.652 29.700 0.121 0.000 1.172 9 E HN 0.600 nan 8.360 nan 0.000 0.404 10 T N -0.120 114.406 114.554 -0.046 0.000 2.795 10 T HA 0.364 4.715 4.350 0.002 0.000 0.282 10 T C -0.440 174.154 174.700 -0.176 0.000 0.980 10 T CA -0.654 61.434 62.100 -0.021 0.000 1.012 10 T CB 0.699 69.555 68.868 -0.021 0.000 0.936 10 T HN 0.399 nan 8.240 nan 0.000 0.457 11 H N 0.998 120.139 119.070 0.119 0.000 2.895 11 H HA 0.674 5.231 4.556 0.001 0.000 0.373 11 H C -0.814 174.547 175.328 0.055 0.000 1.174 11 H CA -0.914 55.209 56.048 0.124 0.000 1.144 11 H CB 2.278 32.205 29.762 0.274 0.000 1.793 11 H HN 0.976 nan 8.280 nan 0.000 0.551 12 A N 2.731 125.613 122.820 0.104 0.000 2.343 12 A HA 0.614 4.935 4.320 0.002 0.000 0.316 12 A C -0.811 176.726 177.584 -0.079 0.000 1.104 12 A CA -0.542 51.511 52.037 0.027 0.000 0.768 12 A CB 0.541 19.553 19.000 0.021 0.000 1.213 12 A HN 0.490 nan 8.150 nan 0.000 0.456 13 I N 1.634 122.131 120.570 -0.122 0.000 2.436 13 I HA 0.315 4.486 4.170 0.002 0.000 0.289 13 I C 0.169 176.222 176.117 -0.107 0.000 1.010 13 I CA -0.046 61.114 61.300 -0.234 0.000 1.098 13 I CB 2.385 40.166 38.000 -0.366 0.000 1.266 13 I HN 0.568 nan 8.210 nan 0.000 0.434 14 T N 5.636 120.140 114.554 -0.082 0.000 2.794 14 T HA 0.469 4.820 4.350 0.002 0.000 0.296 14 T C -0.142 174.537 174.700 -0.035 0.000 0.949 14 T CA -0.343 61.735 62.100 -0.036 0.000 1.101 14 T CB 0.734 69.590 68.868 -0.021 0.000 0.905 14 T HN 0.229 nan 8.240 nan 0.000 0.516 15 V N 2.763 122.667 119.914 -0.015 0.000 2.588 15 V HA 0.847 4.968 4.120 0.002 0.000 0.304 15 V C 0.600 176.692 176.094 -0.004 0.000 1.042 15 V CA -0.273 62.020 62.300 -0.011 0.000 0.877 15 V CB 0.971 32.794 31.823 0.001 0.000 0.996 15 V HN 1.312 nan 8.190 nan 0.000 0.425 16 G N 4.154 112.947 108.800 -0.010 0.000 2.756 16 G HA2 -0.037 3.924 3.960 0.002 0.000 0.678 16 G HA3 -0.037 3.924 3.960 0.002 0.000 0.678 16 G C -1.200 173.693 174.900 -0.011 0.000 1.349 16 G CA -0.686 44.407 45.100 -0.012 0.000 0.847 16 G HN 0.640 nan 8.290 nan 0.000 0.548 17 Q N -0.122 119.670 119.800 -0.012 0.000 2.387 17 Q HA 0.670 5.011 4.340 0.002 0.000 0.273 17 Q C 0.991 176.986 176.000 -0.009 0.000 1.089 17 Q CA 0.214 56.011 55.803 -0.011 0.000 0.824 17 Q CB 1.407 30.137 28.738 -0.012 0.000 1.367 17 Q HN 2.550 nan 8.270 nan 0.000 0.443 18 G N 1.652 110.448 108.800 -0.007 0.000 2.611 18 G HA2 -0.407 3.554 3.960 0.002 0.000 0.301 18 G HA3 -0.407 3.554 3.960 0.002 0.000 0.301 18 G C 0.801 175.698 174.900 -0.005 0.000 1.233 18 G CA 0.879 45.976 45.100 -0.006 0.000 0.993 18 G HN 0.908 nan 8.290 nan 0.000 0.553 19 S N -0.064 115.633 115.700 -0.006 0.000 2.555 19 S HA 0.080 4.551 4.470 0.002 0.000 0.230 19 S C 1.329 175.925 174.600 -0.007 0.000 0.978 19 S CA 1.716 59.914 58.200 -0.005 0.000 0.934 19 S CB 0.145 63.342 63.200 -0.005 0.000 0.766 19 S HN 0.523 nan 8.310 nan 0.000 0.533 20 D N 1.994 122.387 120.400 -0.011 0.000 2.349 20 D HA 0.322 4.963 4.640 0.002 0.000 0.215 20 D C 0.796 177.092 176.300 -0.006 0.000 1.016 20 D CA 0.351 54.342 54.000 -0.014 0.000 0.870 20 D CB 0.115 40.900 40.800 -0.025 0.000 0.917 20 D HN 0.578 nan 8.370 nan 0.000 0.524 21 A N 2.014 124.834 122.820 -0.001 0.000 2.498 21 A HA 0.331 4.652 4.320 0.002 0.000 0.239 21 A C 0.712 178.306 177.584 0.016 0.000 1.068 21 A CA 0.028 52.068 52.037 0.005 0.000 0.766 21 A CB 0.329 19.331 19.000 0.003 0.000 1.003 21 A HN 0.135 nan 8.150 nan 0.000 0.497 22 R N 1.257 121.772 120.500 0.025 0.000 2.668 22 R HA 0.583 4.924 4.340 0.002 0.000 0.272 22 R C -1.270 175.055 176.300 0.042 0.000 1.019 22 R CA -0.434 55.692 56.100 0.043 0.000 0.894 22 R CB 1.047 31.389 30.300 0.069 0.000 1.228 22 R HN 0.511 nan 8.270 nan 0.000 0.460 23 S N 2.672 118.400 115.700 0.046 0.000 2.475 23 S HA 0.473 4.944 4.470 0.002 0.000 0.281 23 S C -0.060 174.579 174.600 0.066 0.000 1.198 23 S CA -0.792 57.431 58.200 0.039 0.000 1.063 23 S CB 0.231 63.450 63.200 0.031 0.000 0.972 23 S HN 0.434 nan 8.310 nan 0.000 0.486 24 I N 4.250 124.855 120.570 0.058 0.000 2.336 24 I HA 0.394 4.565 4.170 0.002 0.000 0.292 24 I C 0.648 176.824 176.117 0.098 0.000 0.991 24 I CA -0.754 60.607 61.300 0.102 0.000 1.227 24 I CB 0.716 38.772 38.000 0.093 0.000 1.366 24 I HN 0.700 nan 8.210 nan 0.000 0.466 25 A N 5.711 128.607 122.820 0.126 0.000 2.331 25 A HA 0.805 5.126 4.320 0.002 0.000 0.283 25 A C 0.015 177.703 177.584 0.174 0.000 1.142 25 A CA -0.272 51.838 52.037 0.122 0.000 0.812 25 A CB 0.581 19.635 19.000 0.090 0.000 1.074 25 A HN 0.885 nan 8.150 nan 0.000 0.497 26 A N 2.139 125.075 122.820 0.193 0.000 2.475 26 A HA 0.732 5.053 4.320 0.002 0.000 0.301 26 A C -1.108 176.594 177.584 0.198 0.000 1.059 26 A CA -0.459 51.719 52.037 0.235 0.000 0.710 26 A CB 1.113 20.306 19.000 0.322 0.000 1.288 26 A HN 0.812 nan 8.150 nan 0.000 0.408 27 L N 1.919 123.218 121.223 0.126 0.000 2.349 27 L HA 0.664 5.005 4.340 0.002 0.000 0.278 27 L C -1.066 175.808 176.870 0.006 0.000 0.996 27 L CA -0.801 54.084 54.840 0.074 0.000 0.825 27 L CB 1.874 43.947 42.059 0.024 0.000 1.243 27 L HN 0.461 nan 8.230 nan 0.000 0.412 28 V N 3.475 123.386 119.914 -0.005 0.000 2.709 28 V HA 0.524 4.645 4.120 0.002 0.000 0.308 28 V C -0.483 175.565 176.094 -0.076 0.000 1.062 28 V CA -0.691 61.514 62.300 -0.158 0.000 0.901 28 V CB 2.593 34.132 31.823 -0.473 0.000 1.003 28 V HN 0.692 nan 8.190 nan 0.000 0.425 29 R N 2.962 123.405 120.500 -0.096 0.000 2.439 29 R HA 0.756 5.097 4.340 0.002 0.000 0.310 29 R C -0.137 176.127 176.300 -0.059 0.000 0.955 29 R CA -0.360 55.709 56.100 -0.051 0.000 0.853 29 R CB 1.566 31.841 30.300 -0.041 0.000 1.171 29 R HN 0.905 nan 8.270 nan 0.000 0.449 30 A N 6.112 128.914 122.820 -0.030 0.000 2.445 30 A HA 0.342 4.663 4.320 0.002 0.000 0.242 30 A C -2.090 175.486 177.584 -0.014 0.000 1.075 30 A CA -1.189 50.836 52.037 -0.020 0.000 0.777 30 A CB -0.060 18.945 19.000 0.009 0.000 1.013 30 A HN 0.591 nan 8.150 nan 0.000 0.493 31 P HA 0.149 nan 4.420 nan 0.000 0.269 31 P C 0.624 177.925 177.300 0.002 0.000 1.215 31 P CA 0.500 63.598 63.100 -0.003 0.000 0.780 31 P CB 0.937 32.637 31.700 0.001 0.000 0.898 32 A N 2.359 125.180 122.820 0.002 0.000 2.015 32 A HA -0.133 4.188 4.320 0.002 0.000 0.219 32 A C 0.808 178.396 177.584 0.006 0.000 1.163 32 A CA 1.510 53.549 52.037 0.004 0.000 0.646 32 A CB -0.544 18.457 19.000 0.002 0.000 0.806 32 A HN 0.667 nan 8.150 nan 0.000 0.448 33 Q N -1.190 118.614 119.800 0.006 0.000 2.331 33 Q HA 0.366 4.707 4.340 0.002 0.000 0.272 33 Q C -0.652 175.353 176.000 0.009 0.000 1.062 33 Q CA -0.586 55.222 55.803 0.008 0.000 0.806 33 Q CB 1.851 30.593 28.738 0.007 0.000 1.312 33 Q HN 0.141 nan 8.270 nan 0.000 0.431 34 D N 1.144 121.550 120.400 0.010 0.000 2.218 34 D HA -0.152 4.489 4.640 0.002 0.000 0.204 34 D C 0.523 176.831 176.300 0.012 0.000 0.976 34 D CA 1.163 55.171 54.000 0.012 0.000 0.853 34 D CB 0.410 41.218 40.800 0.013 0.000 0.939 34 D HN 0.544 nan 8.370 nan 0.000 0.481 35 E N 0.048 120.254 120.200 0.011 0.000 2.347 35 E HA -0.005 4.346 4.350 0.002 0.000 0.196 35 E C 0.615 177.222 176.600 0.012 0.000 1.008 35 E CA 0.342 56.749 56.400 0.011 0.000 0.852 35 E CB 0.179 29.885 29.700 0.010 0.000 0.783 35 E HN 0.096 nan 8.360 nan 0.000 0.505 36 R N 1.747 122.254 120.500 0.011 0.000 2.641 36 R HA 0.187 4.528 4.340 0.002 0.000 0.269 36 R C -2.105 174.203 176.300 0.014 0.000 1.074 36 R CA -1.784 54.323 56.100 0.012 0.000 1.133 36 R CB -0.562 29.743 30.300 0.009 0.000 1.029 36 R HN 0.072 nan 8.270 nan 0.000 0.488 37 P HA 0.087 nan 4.420 nan 0.000 0.272 37 P C -0.579 176.730 177.300 0.016 0.000 1.240 37 P CA -0.154 62.958 63.100 0.020 0.000 0.791 37 P CB 0.538 32.252 31.700 0.024 0.000 0.978 38 T N 0.934 115.499 114.554 0.019 0.000 2.792 38 T HA 0.292 4.643 4.350 0.002 0.000 0.280 38 T C -0.324 174.394 174.700 0.030 0.000 0.990 38 T CA -0.192 61.916 62.100 0.014 0.000 0.960 38 T CB 0.147 69.016 68.868 0.002 0.000 0.939 38 T HN 0.346 nan 8.240 nan 0.000 0.439 39 C N 4.698 124.019 119.300 0.034 0.000 2.499 39 C HA 0.470 4.931 4.460 0.002 0.000 0.386 39 C C 0.587 175.628 174.990 0.084 0.000 1.293 39 C CA -0.935 58.120 59.018 0.062 0.000 1.884 39 C CB -1.415 26.364 27.740 0.065 0.000 2.509 39 C HN 0.719 nan 8.230 nan 0.000 0.566 40 I N 3.677 124.313 120.570 0.109 0.000 2.355 40 I HA 0.226 4.397 4.170 0.002 0.000 0.288 40 I C 0.107 176.338 176.117 0.191 0.000 0.999 40 I CA -0.225 61.164 61.300 0.148 0.000 1.163 40 I CB 0.736 38.814 38.000 0.129 0.000 1.316 40 I HN 0.724 nan 8.210 nan 0.000 0.454 41 W N 8.391 129.703 121.300 0.020 0.000 2.266 41 W HA 0.428 5.089 4.660 0.001 0.000 0.317 41 W C -1.768 174.712 176.519 -0.064 0.000 1.310 41 W CA -0.456 56.865 57.345 -0.039 0.000 1.207 41 W CB 1.080 30.477 29.460 -0.105 0.000 1.199 41 W HN 0.324 nan 8.180 nan 0.000 0.544 42 L N 6.836 127.587 121.223 -0.787 0.000 2.377 42 L HA 0.421 4.762 4.340 0.002 0.000 0.270 42 L C 0.800 177.086 176.870 -0.974 0.000 0.991 42 L CA -0.290 54.164 54.840 -0.643 0.000 0.851 42 L CB 1.344 43.292 42.059 -0.184 0.000 1.218 42 L HN 0.463 nan 8.230 nan 0.000 0.420 43 G N 1.189 109.510 108.800 -0.798 0.000 2.588 43 G HA2 0.553 4.514 3.960 0.002 0.000 0.281 43 G HA3 0.553 4.514 3.960 0.002 0.000 0.281 43 G C 0.203 175.112 174.900 0.015 0.000 1.236 43 G CA -0.181 44.710 45.100 -0.349 0.000 0.969 43 G HN 0.659 nan 8.290 nan 0.000 0.504 44 G N -1.966 106.889 108.800 0.091 0.000 2.616 44 G HA2 0.377 4.338 3.960 0.002 0.000 0.268 44 G HA3 0.377 4.338 3.960 0.002 0.000 0.268 44 G C -0.665 174.353 174.900 0.196 0.000 1.213 44 G CA -0.520 44.669 45.100 0.148 0.000 0.926 44 G HN 0.548 nan 8.290 nan 0.000 0.523 45 Y N 0.360 120.699 120.300 0.065 0.000 2.717 45 Y HA 0.109 4.659 4.550 0.001 0.000 0.330 45 Y C 1.720 177.732 175.900 0.187 0.000 1.217 45 Y CA 0.886 59.048 58.100 0.102 0.000 1.506 45 Y CB 0.254 38.795 38.460 0.135 0.000 1.268 45 Y HN 0.789 nan 8.280 nan 0.000 0.561 46 R N 1.220 121.784 120.500 0.106 0.000 3.989 46 R HA -0.212 4.129 4.340 0.002 0.000 0.377 46 R C 0.172 176.533 176.300 0.102 0.000 1.158 46 R CA 0.843 56.910 56.100 -0.055 0.000 1.035 46 R CB -2.288 27.874 30.300 -0.229 0.000 1.557 46 R HN 0.701 nan 8.270 nan 0.000 0.551 47 S N -0.543 115.279 115.700 0.204 0.000 2.681 47 S HA 0.467 4.938 4.470 0.002 0.000 0.270 47 S C 0.053 174.725 174.600 0.119 0.000 1.209 47 S CA -0.787 57.488 58.200 0.126 0.000 0.988 47 S CB 2.396 65.677 63.200 0.134 0.000 1.006 47 S HN 0.208 nan 8.310 nan 0.000 0.558 51 G N 1.143 109.838 108.800 -0.176 0.000 2.614 51 G HA2 0.386 4.347 3.960 0.002 0.000 0.239 51 G HA3 0.386 4.347 3.960 0.002 0.000 0.239 51 G C 0.978 175.736 174.900 -0.237 0.000 1.240 51 G CA 0.434 45.431 45.100 -0.172 0.000 0.842 51 G HN 0.188 nan 8.290 nan 0.000 0.584 52 T N 0.813 115.259 114.554 -0.179 0.000 2.635 52 T HA -0.157 4.194 4.350 0.002 0.000 0.267 52 T C 2.386 176.933 174.700 -0.256 0.000 1.040 52 T CA 1.708 63.702 62.100 -0.178 0.000 1.156 52 T CB -0.165 68.633 68.868 -0.116 0.000 0.863 52 T HN 0.530 nan 8.240 nan 0.000 0.430 53 K N 0.901 121.122 120.400 -0.299 0.000 2.057 53 K HA 0.039 4.360 4.320 0.002 0.000 0.207 53 K C 2.711 178.817 176.600 -0.825 0.000 1.049 53 K CA 1.122 57.171 56.287 -0.396 0.000 0.931 53 K CB -0.306 32.080 32.500 -0.189 0.000 0.714 53 K HN 0.293 nan 8.250 nan 0.000 0.440 54 A N 1.575 123.650 122.820 -1.243 0.000 1.877 54 A HA -0.151 4.170 4.320 0.002 0.000 0.216 54 A C 2.133 179.315 177.584 -0.669 0.000 1.186 54 A CA 1.318 52.485 52.037 -1.449 0.000 0.620 54 A CB -0.688 17.464 19.000 -1.413 0.000 0.822 54 A HN 0.163 nan 8.150 nan 0.000 0.443 55 L N -0.445 120.508 121.223 -0.450 0.000 2.083 55 L HA -0.100 4.241 4.340 0.002 0.000 0.209 55 L C 1.328 178.068 176.870 -0.217 0.000 1.083 55 L CA 0.482 55.159 54.840 -0.271 0.000 0.752 55 L CB -0.516 41.423 42.059 -0.200 0.000 0.899 55 L HN 0.379 nan 8.230 nan 0.000 0.433 59 D N -0.054 120.301 120.400 -0.075 0.000 2.117 59 D HA -0.122 4.519 4.640 0.002 0.000 0.197 59 D C 2.087 178.363 176.300 -0.041 0.000 0.987 59 D CA 1.449 55.415 54.000 -0.057 0.000 0.829 59 D CB 0.020 40.782 40.800 -0.063 0.000 0.961 59 D HN 0.218 nan 8.370 nan 0.000 0.460 60 L N 0.540 121.739 121.223 -0.039 0.000 2.012 60 L HA -0.054 4.287 4.340 0.002 0.000 0.210 60 L C 2.217 179.077 176.870 -0.015 0.000 1.073 60 L CA 2.238 57.064 54.840 -0.023 0.000 0.748 60 L CB -1.064 40.985 42.059 -0.017 0.000 0.891 60 L HN 0.108 nan 8.230 nan 0.000 0.431 61 A N -0.285 122.526 122.820 -0.015 0.000 1.873 61 A HA -0.226 4.095 4.320 0.002 0.000 0.218 61 A C 2.489 180.065 177.584 -0.013 0.000 1.193 61 A CA 2.397 54.428 52.037 -0.010 0.000 0.629 61 A CB -1.434 17.561 19.000 -0.009 0.000 0.826 61 A HN 0.637 nan 8.150 nan 0.000 0.447 62 A N 0.196 123.004 122.820 -0.021 0.000 1.917 62 A HA -0.172 4.149 4.320 0.002 0.000 0.219 62 A C 2.533 180.108 177.584 -0.014 0.000 1.182 62 A CA 2.766 54.792 52.037 -0.019 0.000 0.633 62 A CB -1.087 17.898 19.000 -0.025 0.000 0.819 62 A HN 1.174 nan 8.150 nan 0.000 0.448 63 S N -0.555 115.136 115.700 -0.015 0.000 2.423 63 S HA 0.038 4.509 4.470 0.002 0.000 0.231 63 S C 1.534 176.130 174.600 -0.007 0.000 1.014 63 S CA 1.299 59.492 58.200 -0.011 0.000 0.965 63 S CB -0.439 62.753 63.200 -0.013 0.000 0.785 63 S HN 0.441 nan 8.310 nan 0.000 0.495 64 L N 0.783 122.003 121.223 -0.005 0.000 2.607 64 L HA 0.365 4.706 4.340 0.002 0.000 0.228 64 L C 1.660 178.530 176.870 -0.000 0.000 1.123 64 L CA 0.263 55.103 54.840 -0.001 0.000 0.890 64 L CB -0.443 41.617 42.059 0.003 0.000 1.103 64 L HN 0.569 nan 8.230 nan 0.000 0.468 65 G N 1.363 110.161 108.800 -0.003 0.000 2.176 65 G HA2 -0.247 3.714 3.960 0.002 0.000 0.252 65 G HA3 -0.247 3.714 3.960 0.002 0.000 0.252 65 G C 0.189 175.088 174.900 -0.001 0.000 1.024 65 G CA 0.381 45.480 45.100 -0.002 0.000 0.755 65 G HN 0.283 nan 8.290 nan 0.000 0.507 66 V N -2.051 117.862 119.914 -0.001 0.000 3.093 66 V HA 1.003 5.124 4.120 0.002 0.000 0.320 66 V C 1.034 177.124 176.094 -0.006 0.000 1.093 66 V CA -0.192 62.108 62.300 0.000 0.000 1.016 66 V CB 1.642 33.469 31.823 0.006 0.000 1.096 66 V HN 1.266 nan 8.190 nan 0.000 0.452 67 G N 0.244 109.039 108.800 -0.008 0.000 2.539 67 G HA2 0.657 4.618 3.960 0.002 0.000 0.258 67 G HA3 0.657 4.618 3.960 0.002 0.000 0.258 67 G C -0.312 174.575 174.900 -0.023 0.000 1.202 67 G CA -0.089 44.997 45.100 -0.023 0.000 0.851 67 G HN 1.825 nan 8.290 nan 0.000 0.556 68 A N 0.599 123.392 122.820 -0.045 0.000 2.459 68 A HA 0.691 5.012 4.320 0.002 0.000 0.296 68 A C -0.814 176.727 177.584 -0.072 0.000 1.039 68 A CA -0.526 51.490 52.037 -0.034 0.000 0.698 68 A CB 1.185 20.168 19.000 -0.029 0.000 1.261 68 A HN 0.623 nan 8.150 nan 0.000 0.405 69 I N 1.942 122.494 120.570 -0.030 0.000 2.436 69 I HA 0.518 4.689 4.170 0.002 0.000 0.289 69 I C 0.007 176.186 176.117 0.103 0.000 1.010 69 I CA -0.407 60.870 61.300 -0.037 0.000 1.098 69 I CB 2.115 40.081 38.000 -0.057 0.000 1.266 69 I HN 0.714 nan 8.210 nan 0.000 0.434 70 R N 5.668 126.228 120.500 0.100 0.000 2.807 70 R HA 0.783 5.124 4.340 0.002 0.000 0.276 70 R C -1.410 175.018 176.300 0.213 0.000 0.979 70 R CA -0.733 55.450 56.100 0.138 0.000 0.928 70 R CB 2.515 32.820 30.300 0.008 0.000 1.191 70 R HN 0.534 nan 8.270 nan 0.000 0.471 71 F N -1.794 118.147 119.950 -0.014 0.000 2.668 71 F HA 0.492 5.020 4.527 0.001 0.000 0.309 71 F C -1.442 174.268 175.800 -0.151 0.000 1.117 71 F CA -1.348 56.623 58.000 -0.050 0.000 0.951 71 F CB 1.418 40.401 39.000 -0.028 0.000 1.323 71 F HN 0.185 nan 8.300 nan 0.000 0.451 72 D N 1.782 122.131 120.400 -0.084 0.000 2.232 72 D HA 0.216 4.857 4.640 0.002 0.000 0.242 72 D C -0.614 175.650 176.300 -0.060 0.000 1.093 72 D CA 0.059 53.943 54.000 -0.193 0.000 0.845 72 D CB 1.020 41.816 40.800 -0.006 0.000 1.124 72 D HN 0.419 nan 8.370 nan 0.000 0.467 73 Y N 0.830 120.984 120.300 -0.244 0.000 2.652 73 Y HA -0.052 4.499 4.550 0.002 0.000 0.344 73 Y C 1.693 177.657 175.900 0.107 0.000 1.254 73 Y CA -0.374 57.608 58.100 -0.197 0.000 1.480 73 Y CB 0.099 37.935 38.460 -1.039 0.000 1.345 73 Y HN 0.189 nan 8.280 nan 0.000 0.617 74 S N 0.499 116.509 115.700 0.517 0.000 2.558 74 S HA 0.293 4.764 4.470 0.002 0.000 0.291 74 S C 1.295 176.268 174.600 0.622 0.000 1.306 74 S CA -0.120 58.367 58.200 0.479 0.000 1.056 74 S CB 0.266 63.705 63.200 0.398 0.000 0.836 74 S HN 1.557 nan 8.310 nan 0.000 0.504 75 G N 1.357 110.414 108.800 0.429 0.000 2.179 75 G HA2 -0.210 3.751 3.960 0.002 0.000 0.260 75 G HA3 -0.210 3.751 3.960 0.002 0.000 0.260 75 G C -0.147 174.939 174.900 0.310 0.000 0.977 75 G CA 0.602 45.940 45.100 0.397 0.000 0.641 75 G HN 1.073 nan 8.290 nan 0.000 0.533 76 H N -0.900 118.282 119.070 0.186 0.000 2.622 76 H HA 0.595 5.152 4.556 0.002 0.000 0.363 76 H C 1.117 176.474 175.328 0.047 0.000 1.151 76 H CA 0.599 56.703 56.048 0.093 0.000 1.184 76 H CB 1.263 31.059 29.762 0.057 0.000 1.643 76 H HN 1.056 nan 8.280 nan 0.000 0.531 77 G N 1.084 109.959 108.800 0.125 0.000 2.672 77 G HA2 -0.371 3.590 3.960 0.002 0.000 0.324 77 G HA3 -0.371 3.590 3.960 0.002 0.000 0.324 77 G C 1.160 176.096 174.900 0.059 0.000 1.286 77 G CA 1.299 46.437 45.100 0.064 0.000 1.004 77 G HN 0.972 nan 8.290 nan 0.000 0.548 78 A N -0.355 122.497 122.820 0.053 0.000 2.218 78 A HA 0.631 4.952 4.320 0.002 0.000 0.209 78 A C 1.595 179.221 177.584 0.071 0.000 1.168 78 A CA 1.623 53.690 52.037 0.050 0.000 0.804 78 A CB -0.112 18.910 19.000 0.037 0.000 0.834 78 A HN 1.012 nan 8.150 nan 0.000 0.482 79 S N -0.424 115.336 115.700 0.100 0.000 2.632 79 S HA 0.504 4.975 4.470 0.002 0.000 0.267 79 S C 0.902 175.573 174.600 0.119 0.000 1.276 79 S CA -0.142 58.131 58.200 0.122 0.000 0.998 79 S CB 1.143 64.443 63.200 0.167 0.000 0.953 79 S HN 0.566 nan 8.310 nan 0.000 0.547 80 G N -0.538 108.329 108.800 0.111 0.000 2.563 80 G HA2 0.573 4.534 3.960 0.002 0.000 0.283 80 G HA3 0.573 4.534 3.960 0.002 0.000 0.283 80 G C 0.265 175.242 174.900 0.128 0.000 1.309 80 G CA -0.053 45.106 45.100 0.099 0.000 1.022 80 G HN 1.286 nan 8.290 nan 0.000 0.501 81 G N -2.334 106.527 108.800 0.103 0.000 2.705 81 G HA2 0.429 4.390 3.960 0.002 0.000 0.686 81 G HA3 0.429 4.390 3.960 0.002 0.000 0.686 81 G C -0.008 174.965 174.900 0.121 0.000 1.285 81 G CA -0.013 45.151 45.100 0.106 0.000 0.800 81 G HN 1.914 nan 8.290 nan 0.000 0.611 82 A N 1.115 123.991 122.820 0.093 0.000 2.363 82 A HA 0.673 4.994 4.320 0.002 0.000 0.270 82 A C 1.067 178.737 177.584 0.144 0.000 1.121 82 A CA 0.730 52.828 52.037 0.101 0.000 0.800 82 A CB 0.467 19.500 19.000 0.055 0.000 1.052 82 A HN 1.794 nan 8.150 nan 0.000 0.493 83 F N 2.776 122.747 119.950 0.035 0.000 2.120 83 F HA -0.258 4.270 4.527 0.001 0.000 0.300 83 F C 2.462 178.293 175.800 0.053 0.000 1.095 83 F CA 2.582 60.611 58.000 0.048 0.000 1.249 83 F CB 0.075 39.016 39.000 -0.098 0.000 0.995 83 F HN 0.764 nan 8.300 nan 0.000 0.480 84 R N -0.317 120.231 120.500 0.079 0.000 2.285 84 R HA -0.083 4.258 4.340 0.002 0.000 0.213 84 R C 0.913 177.152 176.300 -0.102 0.000 1.068 84 R CA 1.575 57.663 56.100 -0.020 0.000 1.004 84 R CB -0.719 29.587 30.300 0.010 0.000 0.873 84 R HN 0.211 nan 8.270 nan 0.000 0.467 85 D N 1.039 121.374 120.400 -0.108 0.000 2.349 85 D HA 0.056 4.697 4.640 0.002 0.000 0.215 85 D C 0.599 176.717 176.300 -0.303 0.000 1.016 85 D CA 0.658 54.570 54.000 -0.147 0.000 0.870 85 D CB 0.245 40.996 40.800 -0.081 0.000 0.917 85 D HN 0.420 nan 8.370 nan 0.000 0.524 86 G N 0.743 109.281 108.800 -0.437 0.000 2.441 86 G HA2 0.363 4.324 3.960 0.002 0.000 0.243 86 G HA3 0.363 4.324 3.960 0.002 0.000 0.243 86 G C 0.256 174.425 174.900 -1.220 0.000 1.281 86 G CA 0.129 44.622 45.100 -1.011 0.000 0.854 86 G HN 0.145 nan 8.290 nan 0.000 0.560 87 T N -0.538 113.114 114.554 -1.504 0.000 2.843 87 T HA 0.380 4.731 4.350 0.002 0.000 0.302 87 T C 1.240 175.435 174.700 -0.841 0.000 1.232 87 T CA -0.892 60.664 62.100 -0.906 0.000 1.009 87 T CB 1.229 69.798 68.868 -0.497 0.000 1.254 87 T HN 0.123 nan 8.240 nan 0.000 0.504 88 I N 1.076 121.360 120.570 -0.477 0.000 2.151 88 I HA -0.184 3.987 4.170 0.002 0.000 0.243 88 I C 2.696 178.624 176.117 -0.314 0.000 1.080 88 I CA 1.572 62.634 61.300 -0.396 0.000 1.339 88 I CB -1.814 35.726 38.000 -0.766 0.000 1.039 88 I HN 0.755 nan 8.210 nan 0.000 0.409 89 S N 0.454 115.971 115.700 -0.305 0.000 2.359 89 S HA -0.188 4.283 4.470 0.002 0.000 0.224 89 S C 2.101 176.597 174.600 -0.173 0.000 1.035 89 S CA 1.349 59.425 58.200 -0.206 0.000 1.018 89 S CB -0.252 62.843 63.200 -0.175 0.000 0.876 89 S HN 0.417 nan 8.310 nan 0.000 0.448 90 R N -0.303 120.035 120.500 -0.270 0.000 2.092 90 R HA -0.037 4.304 4.340 0.002 0.000 0.231 90 R C 2.095 178.367 176.300 -0.046 0.000 1.119 90 R CA 1.329 57.297 56.100 -0.219 0.000 0.970 90 R CB -0.156 29.928 30.300 -0.360 0.000 0.864 90 R HN 0.444 nan 8.270 nan 0.000 0.440 91 W N 0.433 121.692 121.300 -0.068 0.000 2.436 91 W HA -0.037 4.625 4.660 0.003 0.000 0.284 91 W C 1.882 178.445 176.519 0.073 0.000 1.225 91 W CA 0.107 57.449 57.345 -0.005 0.000 1.271 91 W CB -0.861 28.430 29.460 -0.282 0.000 1.114 91 W HN 0.120 nan 8.180 nan 0.000 0.559 92 L N 1.184 122.507 121.223 0.166 0.000 2.017 92 L HA -0.151 4.190 4.340 0.002 0.000 0.208 92 L C 2.296 179.211 176.870 0.075 0.000 1.073 92 L CA 2.340 57.239 54.840 0.099 0.000 0.745 92 L CB -1.160 40.895 42.059 -0.007 0.000 0.894 92 L HN 0.001 nan 8.230 nan 0.000 0.432 93 E N -0.482 119.741 120.200 0.040 0.000 2.118 93 E HA -0.288 4.063 4.350 0.002 0.000 0.195 93 E C 1.940 178.553 176.600 0.020 0.000 0.992 93 E CA 1.745 58.154 56.400 0.015 0.000 0.804 93 E CB -0.069 29.627 29.700 -0.008 0.000 0.741 93 E HN 0.704 nan 8.360 nan 0.000 0.458 94 E N 0.089 120.336 120.200 0.079 0.000 2.047 94 E HA -0.162 4.189 4.350 0.002 0.000 0.191 94 E C 2.061 178.561 176.600 -0.167 0.000 0.987 94 E CA 0.940 57.361 56.400 0.035 0.000 0.799 94 E CB -0.160 29.678 29.700 0.230 0.000 0.752 94 E HN 0.353 nan 8.360 nan 0.000 0.449 95 A N 1.222 124.000 122.820 -0.070 0.000 1.883 95 A HA -0.199 4.122 4.320 0.002 0.000 0.217 95 A C 2.210 179.704 177.584 -0.151 0.000 1.186 95 A CA 1.236 53.156 52.037 -0.195 0.000 0.624 95 A CB -0.755 18.357 19.000 0.187 0.000 0.822 95 A HN 0.155 nan 8.150 nan 0.000 0.444 96 L N -0.941 120.251 121.223 -0.051 0.000 2.046 96 L HA -0.204 4.137 4.340 0.002 0.000 0.208 96 L C 3.111 179.949 176.870 -0.055 0.000 1.077 96 L CA 1.069 55.890 54.840 -0.032 0.000 0.747 96 L CB -0.473 41.581 42.059 -0.009 0.000 0.896 96 L HN 0.460 nan 8.230 nan 0.000 0.432 97 A N -0.657 122.116 122.820 -0.078 0.000 1.933 97 A HA -0.149 4.172 4.320 0.002 0.000 0.218 97 A C 2.302 179.826 177.584 -0.101 0.000 1.175 97 A CA 1.702 53.692 52.037 -0.078 0.000 0.628 97 A CB -0.731 18.223 19.000 -0.077 0.000 0.814 97 A HN 0.212 nan 8.150 nan 0.000 0.444 98 V N 0.012 119.817 119.914 -0.182 0.000 2.307 98 V HA -0.229 3.892 4.120 0.002 0.000 0.245 98 V C 2.538 178.663 176.094 0.052 0.000 1.045 98 V CA 1.743 63.960 62.300 -0.139 0.000 1.024 98 V CB -0.674 30.904 31.823 -0.407 0.000 0.651 98 V HN 0.573 nan 8.190 nan 0.000 0.449 99 L N -0.047 121.178 121.223 0.003 0.000 2.012 99 L HA -0.233 4.108 4.340 0.002 0.000 0.210 99 L C 2.333 179.241 176.870 0.063 0.000 1.073 99 L CA 1.920 56.801 54.840 0.068 0.000 0.748 99 L CB -0.692 41.388 42.059 0.034 0.000 0.891 99 L HN 0.394 nan 8.230 nan 0.000 0.431 100 D N -1.896 118.512 120.400 0.013 0.000 2.264 100 D HA -0.184 4.457 4.640 0.002 0.000 0.208 100 D C 1.878 178.152 176.300 -0.044 0.000 0.966 100 D CA 0.896 54.891 54.000 -0.008 0.000 0.864 100 D CB -0.094 40.696 40.800 -0.017 0.000 0.933 100 D HN 0.423 nan 8.370 nan 0.000 0.499 101 H N -0.894 118.059 119.070 -0.195 0.000 2.363 101 H HA -0.030 4.527 4.556 0.001 0.000 0.301 101 H C 1.368 176.425 175.328 -0.453 0.000 1.074 101 H CA 1.453 57.266 56.048 -0.392 0.000 1.354 101 H CB -0.048 29.340 29.762 -0.623 0.000 1.397 101 H HN 0.019 nan 8.280 nan 0.000 0.516 102 F N 0.305 120.232 119.950 -0.039 0.000 2.530 102 F HA 0.223 4.753 4.527 0.004 0.000 0.292 102 F C 0.800 176.558 175.800 -0.071 0.000 1.109 102 F CA 0.263 58.211 58.000 -0.086 0.000 1.450 102 F CB 0.164 39.136 39.000 -0.046 0.000 1.114 102 F HN -0.095 nan 8.300 nan 0.000 0.560 103 K N 0.663 121.126 120.400 0.105 0.000 3.257 103 K HA -0.167 4.154 4.320 0.002 0.000 0.270 103 K C -2.547 174.088 176.600 0.059 0.000 0.984 103 K CA -0.060 56.258 56.287 0.051 0.000 0.739 103 K CB -1.745 30.757 32.500 0.003 0.000 1.351 103 K HN 0.192 nan 8.250 nan 0.000 0.463 104 P HA -0.053 nan 4.420 nan 0.000 0.269 104 P C 0.422 177.744 177.300 0.036 0.000 1.209 104 P CA 0.240 63.370 63.100 0.050 0.000 0.776 104 P CB 0.711 32.438 31.700 0.046 0.000 0.876 105 E N 1.448 121.665 120.200 0.028 0.000 2.077 105 E HA -0.113 4.238 4.350 0.002 0.000 0.193 105 E C 0.266 176.881 176.600 0.025 0.000 0.989 105 E CA 1.247 57.661 56.400 0.023 0.000 0.800 105 E CB 0.034 29.745 29.700 0.019 0.000 0.746 105 E HN 0.496 nan 8.360 nan 0.000 0.452 106 K N -0.308 120.107 120.400 0.026 0.000 2.468 106 K HA 0.592 4.913 4.320 0.002 0.000 0.252 106 K C -1.434 175.185 176.600 0.032 0.000 0.932 106 K CA -0.494 55.809 56.287 0.028 0.000 0.794 106 K CB 2.451 34.965 32.500 0.024 0.000 1.241 106 K HN -0.041 nan 8.250 nan 0.000 0.428 107 A N 3.354 126.196 122.820 0.037 0.000 2.386 107 A HA 0.704 5.025 4.320 0.002 0.000 0.311 107 A C -0.886 176.725 177.584 0.045 0.000 1.068 107 A CA -0.750 51.313 52.037 0.043 0.000 0.743 107 A CB 0.610 19.640 19.000 0.049 0.000 1.258 107 A HN 0.698 nan 8.150 nan 0.000 0.429 108 I N 2.710 123.310 120.570 0.050 0.000 2.355 108 I HA 0.274 4.445 4.170 0.002 0.000 0.288 108 I C -0.681 175.473 176.117 0.062 0.000 0.999 108 I CA -0.247 61.086 61.300 0.054 0.000 1.163 108 I CB 1.455 39.487 38.000 0.053 0.000 1.316 108 I HN 0.489 nan 8.210 nan 0.000 0.454 109 L N 7.061 128.318 121.223 0.058 0.000 2.276 109 L HA 0.456 4.797 4.340 0.002 0.000 0.286 109 L C -0.506 176.386 176.870 0.037 0.000 1.061 109 L CA -0.736 54.135 54.840 0.052 0.000 0.807 109 L CB 1.223 43.311 42.059 0.049 0.000 1.177 109 L HN 0.300 nan 8.230 nan 0.000 0.429 110 V N 2.606 122.531 119.914 0.019 0.000 2.325 110 V HA 0.515 4.636 4.120 0.002 0.000 0.280 110 V C 0.451 176.396 176.094 -0.247 0.000 1.016 110 V CA -0.475 61.820 62.300 -0.008 0.000 0.818 110 V CB 1.303 33.223 31.823 0.162 0.000 1.019 110 V HN 0.878 nan 8.190 nan 0.000 0.434 111 G N 2.089 110.752 108.800 -0.229 0.000 2.487 111 G HA2 0.530 4.491 3.960 0.002 0.000 0.314 111 G HA3 0.530 4.491 3.960 0.002 0.000 0.314 111 G C -0.603 174.123 174.900 -0.289 0.000 1.267 111 G CA -0.426 44.490 45.100 -0.306 0.000 0.937 111 G HN 0.588 nan 8.290 nan 0.000 0.481 112 S N 2.242 117.682 115.700 -0.434 0.000 2.456 112 S HA 0.677 5.148 4.470 0.002 0.000 0.316 112 S C 0.418 174.976 174.600 -0.070 0.000 1.089 112 S CA 0.278 58.340 58.200 -0.230 0.000 1.101 112 S CB 0.694 63.756 63.200 -0.232 0.000 0.995 112 S HN 1.740 nan 8.310 nan 0.000 0.468 116 G N 0.322 109.183 108.800 0.102 0.000 2.408 116 G HA2 -0.126 3.835 3.960 0.002 0.000 0.217 116 G HA3 -0.126 3.835 3.960 0.002 0.000 0.217 116 G C 1.466 176.511 174.900 0.241 0.000 1.150 116 G CA 1.482 46.660 45.100 0.129 0.000 0.776 116 G HN 0.282 nan 8.290 nan 0.000 0.542 117 W N 1.546 122.908 121.300 0.102 0.000 2.355 117 W HA -0.031 4.629 4.660 0.001 0.000 0.309 117 W C 2.199 178.770 176.519 0.086 0.000 1.206 117 W CA 0.559 57.966 57.345 0.103 0.000 1.284 117 W CB -0.577 28.969 29.460 0.143 0.000 1.145 117 W HN 0.100 nan 8.180 nan 0.000 0.502 118 I N 1.204 121.928 120.570 0.257 0.000 2.208 118 I HA -0.287 3.884 4.170 0.002 0.000 0.245 118 I C 2.543 178.743 176.117 0.138 0.000 1.097 118 I CA 1.809 63.183 61.300 0.122 0.000 1.363 118 I CB -1.990 36.106 38.000 0.161 0.000 1.051 118 I HN 0.005 nan 8.210 nan 0.000 0.413 119 A N 0.935 123.839 122.820 0.139 0.000 1.908 119 A HA -0.184 4.137 4.320 0.002 0.000 0.218 119 A C 2.427 180.079 177.584 0.113 0.000 1.181 119 A CA 1.486 53.587 52.037 0.106 0.000 0.627 119 A CB -0.885 18.158 19.000 0.072 0.000 0.818 119 A HN 0.415 nan 8.150 nan 0.000 0.445 120 L N -1.213 120.099 121.223 0.149 0.000 2.046 120 L HA -0.168 4.173 4.340 0.002 0.000 0.208 120 L C 2.869 179.821 176.870 0.137 0.000 1.077 120 L CA 1.084 56.010 54.840 0.142 0.000 0.747 120 L CB -0.477 41.681 42.059 0.165 0.000 0.896 120 L HN 0.263 nan 8.230 nan 0.000 0.432 121 R N -0.175 120.421 120.500 0.159 0.000 2.096 121 R HA -0.137 4.204 4.340 0.002 0.000 0.235 121 R C 2.172 178.516 176.300 0.073 0.000 1.127 121 R CA 1.161 57.325 56.100 0.106 0.000 0.968 121 R CB -0.916 29.419 30.300 0.057 0.000 0.861 121 R HN 0.237 nan 8.270 nan 0.000 0.440 122 L N 1.020 122.289 121.223 0.076 0.000 2.046 122 L HA -0.118 4.223 4.340 0.002 0.000 0.208 122 L C 2.191 179.096 176.870 0.058 0.000 1.077 122 L CA 1.369 56.247 54.840 0.064 0.000 0.747 122 L CB -0.640 41.464 42.059 0.075 0.000 0.896 122 L HN 0.045 nan 8.230 nan 0.000 0.432 123 I N -0.606 120.003 120.570 0.065 0.000 2.286 123 I HA -0.312 3.859 4.170 0.002 0.000 0.248 123 I C 2.435 178.583 176.117 0.052 0.000 1.115 123 I CA 1.483 62.817 61.300 0.057 0.000 1.392 123 I CB -0.283 37.752 38.000 0.058 0.000 1.065 123 I HN 0.445 nan 8.210 nan 0.000 0.418 124 Q N -0.107 119.727 119.800 0.057 0.000 2.084 124 Q HA -0.212 4.129 4.340 0.002 0.000 0.202 124 Q C 2.043 178.069 176.000 0.043 0.000 0.978 124 Q CA 1.526 57.359 55.803 0.051 0.000 0.844 124 Q CB -0.214 28.558 28.738 0.057 0.000 0.898 124 Q HN 0.484 nan 8.270 nan 0.000 0.426 125 E N 0.710 120.934 120.200 0.040 0.000 2.106 125 E HA -0.102 4.249 4.350 0.002 0.000 0.192 125 E C 2.117 178.737 176.600 0.034 0.000 0.984 125 E CA 0.741 57.160 56.400 0.032 0.000 0.806 125 E CB -0.128 29.586 29.700 0.024 0.000 0.750 125 E HN 0.370 nan 8.360 nan 0.000 0.458 126 L N 0.643 121.889 121.223 0.037 0.000 2.046 126 L HA -0.164 4.177 4.340 0.002 0.000 0.208 126 L C 2.388 179.283 176.870 0.042 0.000 1.077 126 L CA 1.264 56.127 54.840 0.038 0.000 0.747 126 L CB -0.344 41.738 42.059 0.038 0.000 0.896 126 L HN 0.035 nan 8.230 nan 0.000 0.432 127 K N 0.131 120.556 120.400 0.041 0.000 2.209 127 K HA -0.098 4.223 4.320 0.002 0.000 0.204 127 K C 2.068 178.697 176.600 0.049 0.000 1.048 127 K CA 1.147 57.459 56.287 0.041 0.000 0.940 127 K CB -0.200 32.322 32.500 0.037 0.000 0.729 127 K HN 0.281 nan 8.250 nan 0.000 0.451 128 A N 1.516 124.367 122.820 0.051 0.000 2.168 128 A HA -0.055 4.266 4.320 0.002 0.000 0.215 128 A C 0.692 178.332 177.584 0.093 0.000 1.152 128 A CA 0.482 52.556 52.037 0.062 0.000 0.716 128 A CB -0.093 18.933 19.000 0.044 0.000 0.794 128 A HN 0.130 nan 8.150 nan 0.000 0.465 129 R N -0.973 119.579 120.500 0.087 0.000 2.500 129 R HA 0.381 4.722 4.340 0.002 0.000 0.275 129 R C 0.282 176.700 176.300 0.197 0.000 1.051 129 R CA -0.466 55.699 56.100 0.110 0.000 1.088 129 R CB 0.421 30.758 30.300 0.061 0.000 1.063 129 R HN 0.549 nan 8.270 nan 0.000 0.511 130 H N 0.576 119.649 119.070 0.004 0.000 2.329 130 H HA -0.046 4.511 4.556 0.002 0.000 0.306 130 H C 0.331 175.660 175.328 0.003 0.000 1.062 130 H CA 0.992 57.042 56.048 0.003 0.000 1.364 130 H CB 0.361 30.124 29.762 0.002 0.000 1.409 130 H HN 0.788 nan 8.280 nan 0.000 0.519 131 D N 2.191 122.677 120.400 0.144 0.000 2.441 131 D HA 0.131 4.772 4.640 0.002 0.000 0.221 131 D C -0.484 175.845 176.300 0.048 0.000 1.156 131 D CA -0.483 53.559 54.000 0.072 0.000 0.896 131 D CB -0.054 40.775 40.800 0.049 0.000 1.028 131 D HN 0.287 nan 8.370 nan 0.000 0.509 132 N N 2.698 121.423 118.700 0.040 0.000 2.626 132 N HA 0.266 5.007 4.740 0.002 0.000 0.242 132 N C -1.779 173.745 175.510 0.024 0.000 1.005 132 N CA -1.335 51.733 53.050 0.031 0.000 0.905 132 N CB 2.319 40.826 38.487 0.033 0.000 1.128 132 N HN 0.306 nan 8.380 nan 0.000 0.512 133 P HA 0.009 nan 4.420 nan 0.000 0.229 133 P C -0.112 177.200 177.300 0.020 0.000 1.160 133 P CA 0.666 63.776 63.100 0.016 0.000 0.777 133 P CB 0.373 32.080 31.700 0.011 0.000 0.814 134 T N 0.951 115.520 114.554 0.025 0.000 2.772 134 T HA 0.321 4.672 4.350 0.002 0.000 0.288 134 T C -0.413 174.304 174.700 0.029 0.000 0.994 134 T CA -0.261 61.856 62.100 0.029 0.000 0.951 134 T CB 1.435 70.324 68.868 0.035 0.000 0.933 134 T HN -0.066 nan 8.240 nan 0.000 0.447 135 Q N 2.755 122.571 119.800 0.028 0.000 2.256 135 Q HA 0.472 4.813 4.340 0.002 0.000 0.254 135 Q C -0.848 175.171 176.000 0.032 0.000 0.916 135 Q CA -0.494 55.326 55.803 0.028 0.000 0.932 135 Q CB 0.902 29.654 28.738 0.024 0.000 1.207 135 Q HN 0.472 nan 8.270 nan 0.000 0.426 136 V N 4.116 124.050 119.914 0.034 0.000 2.389 136 V HA 0.109 4.230 4.120 0.002 0.000 0.264 136 V C 0.788 176.904 176.094 0.036 0.000 1.049 136 V CA 0.533 62.856 62.300 0.039 0.000 0.932 136 V CB 0.807 32.656 31.823 0.043 0.000 1.011 136 V HN 1.032 nan 8.190 nan 0.000 0.475 137 S N 2.918 118.639 115.700 0.036 0.000 2.524 137 S HA 0.445 4.916 4.470 0.002 0.000 0.216 137 S C 0.733 175.356 174.600 0.038 0.000 0.987 137 S CA 0.284 58.504 58.200 0.034 0.000 0.909 137 S CB 0.537 63.756 63.200 0.031 0.000 0.781 137 S HN 1.107 nan 8.310 nan 0.000 0.521 141 L N 5.645 126.885 121.223 0.029 0.000 2.333 141 L HA 0.696 5.037 4.340 0.002 0.000 0.280 141 L C -0.853 176.027 176.870 0.016 0.000 1.004 141 L CA -0.564 54.288 54.840 0.021 0.000 0.820 141 L CB 2.064 44.154 42.059 0.052 0.000 1.247 141 L HN 0.503 nan 8.230 nan 0.000 0.416 142 I N 3.438 124.006 120.570 -0.003 0.000 2.354 142 I HA 0.392 4.563 4.170 0.002 0.000 0.286 142 I C 0.807 176.925 176.117 0.002 0.000 1.007 142 I CA -0.381 60.919 61.300 -0.001 0.000 1.167 142 I CB 1.749 39.752 38.000 0.005 0.000 1.320 142 I HN 0.813 nan 8.210 nan 0.000 0.458 143 A N 6.378 129.220 122.820 0.037 0.000 2.511 143 A HA -0.135 4.186 4.320 0.002 0.000 0.297 143 A C -2.234 175.439 177.584 0.147 0.000 1.476 143 A CA -0.298 51.796 52.037 0.095 0.000 0.757 143 A CB -1.866 17.146 19.000 0.019 0.000 1.072 143 A HN 0.463 nan 8.150 nan 0.000 0.413 144 P HA 0.371 nan 4.420 nan 0.000 0.269 144 P C 0.077 177.512 177.300 0.226 0.000 1.209 144 P CA 0.726 63.918 63.100 0.154 0.000 0.776 144 P CB 1.179 32.948 31.700 0.116 0.000 0.876 145 A N 3.599 126.571 122.820 0.254 0.000 3.113 145 A HA 0.393 4.714 4.320 0.002 0.000 0.307 145 A C -2.204 175.520 177.584 0.233 0.000 1.025 145 A CA -1.472 50.735 52.037 0.283 0.000 1.012 145 A CB -0.222 18.924 19.000 0.244 0.000 1.085 145 A HN 0.366 nan 8.150 nan 0.000 0.519 146 P HA 0.122 nan 4.420 nan 0.000 0.266 146 P C -0.654 176.162 177.300 -0.807 0.000 1.195 146 P CA 0.794 63.568 63.100 -0.544 0.000 0.768 146 P CB 0.477 31.977 31.700 -0.333 0.000 0.838 147 D N 0.626 119.829 120.400 -1.995 0.000 2.811 147 D HA -0.230 4.411 4.640 0.002 0.000 0.231 147 D C 0.745 176.618 176.300 -0.712 0.000 1.157 147 D CA 0.892 54.117 54.000 -1.291 0.000 0.716 147 D CB -2.016 38.444 40.800 -0.566 0.000 1.077 147 D HN 0.525 nan 8.370 nan 0.000 0.428 148 F N 0.041 119.588 119.950 -0.673 0.000 2.216 148 F HA -0.163 4.365 4.527 0.001 0.000 0.300 148 F C 2.341 178.042 175.800 -0.166 0.000 1.085 148 F CA 1.510 59.341 58.000 -0.282 0.000 1.326 148 F CB -1.394 37.523 39.000 -0.139 0.000 1.027 148 F HN 0.077 nan 8.300 nan 0.000 0.497 149 T N -1.153 113.181 114.554 -0.366 0.000 2.708 149 T HA -0.175 4.176 4.350 0.002 0.000 0.266 149 T C 2.041 176.695 174.700 -0.076 0.000 1.037 149 T CA 1.656 63.667 62.100 -0.148 0.000 1.146 149 T CB -1.181 67.609 68.868 -0.129 0.000 0.865 149 T HN 0.521 nan 8.240 nan 0.000 0.435 150 S N 1.210 116.848 115.700 -0.103 0.000 2.425 150 S HA 0.026 4.497 4.470 0.002 0.000 0.225 150 S C 1.406 175.961 174.600 -0.074 0.000 1.024 150 S CA 0.649 58.805 58.200 -0.073 0.000 0.951 150 S CB -0.203 62.956 63.200 -0.068 0.000 0.796 150 S HN 0.444 nan 8.310 nan 0.000 0.498 151 D N 1.057 121.402 120.400 -0.091 0.000 2.324 151 D HA 0.308 4.949 4.640 0.002 0.000 0.212 151 D C 1.737 177.987 176.300 -0.084 0.000 0.984 151 D CA 0.528 54.491 54.000 -0.062 0.000 0.885 151 D CB 0.058 40.859 40.800 0.002 0.000 0.996 151 D HN 0.354 nan 8.370 nan 0.000 0.505 152 L N -0.413 120.746 121.223 -0.107 0.000 2.500 152 L HA 0.286 4.627 4.340 0.002 0.000 0.219 152 L C 1.923 178.742 176.870 -0.085 0.000 1.057 152 L CA 0.235 55.000 54.840 -0.126 0.000 0.854 152 L CB 0.408 42.353 42.059 -0.190 0.000 1.078 152 L HN -0.078 nan 8.230 nan 0.000 0.480 153 I N -0.154 120.382 120.570 -0.058 0.000 2.364 153 I HA -0.117 4.054 4.170 0.002 0.000 0.241 153 I C 2.280 178.353 176.117 -0.073 0.000 1.082 153 I CA 0.745 62.003 61.300 -0.070 0.000 1.401 153 I CB -0.126 37.825 38.000 -0.081 0.000 1.126 153 I HN 0.143 nan 8.210 nan 0.000 0.429 154 E N 1.159 121.323 120.200 -0.060 0.000 2.108 154 E HA -0.248 4.103 4.350 0.002 0.000 0.203 154 E C -0.643 175.915 176.600 -0.071 0.000 1.022 154 E CA 1.759 58.120 56.400 -0.065 0.000 0.823 154 E CB -1.168 28.504 29.700 -0.048 0.000 0.744 154 E HN 0.430 nan 8.360 nan 0.000 0.456 155 P HA -0.110 nan 4.420 nan 0.000 0.225 155 P C 0.944 178.206 177.300 -0.062 0.000 1.148 155 P CA 1.055 64.121 63.100 -0.057 0.000 0.779 155 P CB 0.067 31.737 31.700 -0.050 0.000 0.780 156 L N -2.197 118.982 121.223 -0.073 0.000 2.585 156 L HA 0.128 4.469 4.340 0.002 0.000 0.226 156 L C 0.919 177.728 176.870 -0.101 0.000 1.113 156 L CA -0.215 54.582 54.840 -0.072 0.000 0.876 156 L CB -0.270 41.754 42.059 -0.060 0.000 1.072 156 L HN -0.070 nan 8.230 nan 0.000 0.468 157 L N 0.368 121.507 121.223 -0.139 0.000 2.453 157 L HA 0.220 4.561 4.340 0.002 0.000 0.272 157 L C 0.895 177.677 176.870 -0.146 0.000 1.182 157 L CA -0.121 54.595 54.840 -0.205 0.000 0.858 157 L CB 0.470 42.378 42.059 -0.251 0.000 1.120 157 L HN 0.020 nan 8.230 nan 0.000 0.474 158 G N 1.194 109.905 108.800 -0.149 0.000 2.938 158 G HA2 0.261 4.222 3.960 0.002 0.000 0.258 158 G HA3 0.261 4.222 3.960 0.002 0.000 0.258 158 G C -0.123 174.717 174.900 -0.099 0.000 1.356 158 G CA -0.312 44.729 45.100 -0.099 0.000 1.052 158 G HN 0.648 nan 8.290 nan 0.000 0.550 159 D N -1.077 119.282 120.400 -0.068 0.000 2.183 159 D HA -0.036 4.605 4.640 0.002 0.000 0.203 159 D C 2.249 178.515 176.300 -0.057 0.000 0.969 159 D CA 0.582 54.548 54.000 -0.058 0.000 0.842 159 D CB 0.146 40.923 40.800 -0.039 0.000 0.957 159 D HN 0.371 nan 8.370 nan 0.000 0.484 160 R N 1.022 121.490 120.500 -0.053 0.000 2.103 160 R HA -0.241 4.100 4.340 0.002 0.000 0.234 160 R C 1.680 177.943 176.300 -0.061 0.000 1.132 160 R CA 1.732 57.807 56.100 -0.040 0.000 0.925 160 R CB -0.083 30.204 30.300 -0.022 0.000 0.842 160 R HN 0.066 nan 8.270 nan 0.000 0.430 161 E N -0.158 119.966 120.200 -0.128 0.000 2.077 161 E HA -0.151 4.200 4.350 0.002 0.000 0.193 161 E C 2.233 178.727 176.600 -0.177 0.000 0.989 161 E CA 1.487 57.742 56.400 -0.242 0.000 0.800 161 E CB -0.069 29.255 29.700 -0.627 0.000 0.746 161 E HN 0.334 nan 8.360 nan 0.000 0.452 162 R N -0.089 120.324 120.500 -0.146 0.000 2.092 162 R HA -0.009 4.332 4.340 0.002 0.000 0.231 162 R C 2.211 178.485 176.300 -0.043 0.000 1.119 162 R CA 1.132 57.178 56.100 -0.089 0.000 0.970 162 R CB -0.203 30.050 30.300 -0.078 0.000 0.864 162 R HN 0.166 nan 8.270 nan 0.000 0.440 163 A N 0.937 123.732 122.820 -0.041 0.000 1.930 163 A HA -0.126 4.195 4.320 0.002 0.000 0.215 163 A C 1.826 179.395 177.584 -0.025 0.000 1.176 163 A CA 0.960 52.981 52.037 -0.026 0.000 0.632 163 A CB -0.190 18.795 19.000 -0.025 0.000 0.819 163 A HN 0.261 nan 8.150 nan 0.000 0.445 164 E N -0.035 120.149 120.200 -0.026 0.000 2.058 164 E HA -0.192 4.159 4.350 0.002 0.000 0.194 164 E C 1.900 178.478 176.600 -0.037 0.000 0.997 164 E CA 1.283 57.656 56.400 -0.046 0.000 0.801 164 E CB -0.323 29.371 29.700 -0.011 0.000 0.746 164 E HN 0.606 nan 8.360 nan 0.000 0.450 165 L N 0.341 121.590 121.223 0.043 0.000 2.079 165 L HA -0.241 4.100 4.340 0.002 0.000 0.210 165 L C 2.480 179.378 176.870 0.046 0.000 1.081 165 L CA 1.154 56.049 54.840 0.092 0.000 0.752 165 L CB -0.366 41.770 42.059 0.129 0.000 0.896 165 L HN 0.174 nan 8.230 nan 0.000 0.433 166 A N -0.252 122.578 122.820 0.017 0.000 1.874 166 A HA -0.118 4.203 4.320 0.002 0.000 0.214 166 A C 2.394 179.981 177.584 0.005 0.000 1.189 166 A CA 1.534 53.578 52.037 0.012 0.000 0.615 166 A CB -0.767 18.235 19.000 0.002 0.000 0.830 166 A HN 0.379 nan 8.150 nan 0.000 0.443 167 E N 0.252 120.445 120.200 -0.012 0.000 2.047 167 E HA -0.172 4.179 4.350 0.002 0.000 0.191 167 E C 1.620 178.210 176.600 -0.017 0.000 0.987 167 E CA 1.631 58.022 56.400 -0.015 0.000 0.799 167 E CB -0.632 29.053 29.700 -0.026 0.000 0.752 167 E HN 0.645 nan 8.360 nan 0.000 0.449 168 N N -1.663 117.003 118.700 -0.058 0.000 2.273 168 N HA 0.213 4.954 4.740 0.002 0.000 0.192 168 N C 1.348 176.875 175.510 0.028 0.000 1.132 168 N CA 0.940 53.943 53.050 -0.078 0.000 0.887 168 N CB 1.577 39.870 38.487 -0.323 0.000 1.048 168 N HN 0.609 nan 8.380 nan 0.000 0.490 169 G N 0.739 109.568 108.800 0.047 0.000 2.157 169 G HA2 -0.264 3.697 3.960 0.002 0.000 0.248 169 G HA3 -0.264 3.697 3.960 0.002 0.000 0.248 169 G C -0.279 174.794 174.900 0.289 0.000 0.979 169 G CA 0.872 46.068 45.100 0.160 0.000 0.650 169 G HN 0.528 nan 8.290 nan 0.000 0.529 170 Y N -2.119 118.266 120.300 0.142 0.000 2.702 170 Y HA 0.701 5.252 4.550 0.002 0.000 0.336 170 Y C -0.745 175.305 175.900 0.250 0.000 1.203 170 Y CA -2.421 55.779 58.100 0.168 0.000 1.072 170 Y CB 0.373 38.892 38.460 0.099 0.000 1.327 170 Y HN 0.935 nan 8.280 nan 0.000 0.456 171 F N -0.505 119.599 119.950 0.257 0.000 2.603 171 F HA 0.897 5.425 4.527 0.002 0.000 0.317 171 F C -1.224 174.786 175.800 0.351 0.000 1.066 171 F CA -1.179 56.930 58.000 0.182 0.000 0.941 171 F CB 2.228 41.311 39.000 0.138 0.000 1.291 171 F HN 0.619 nan 8.300 nan 0.000 0.472 172 E N 1.083 121.479 120.200 0.326 0.000 2.227 172 E HA 0.322 4.673 4.350 0.002 0.000 0.268 172 E C -1.469 175.315 176.600 0.306 0.000 0.907 172 E CA -1.002 55.523 56.400 0.210 0.000 0.786 172 E CB 2.526 32.348 29.700 0.205 0.000 1.191 172 E HN 0.698 nan 8.360 nan 0.000 0.411 173 E N 2.225 122.558 120.200 0.221 0.000 2.272 173 E HA 0.221 4.572 4.350 0.002 0.000 0.269 173 E C -0.646 176.036 176.600 0.135 0.000 0.877 173 E CA -0.878 55.672 56.400 0.250 0.000 0.755 173 E CB 1.966 31.898 29.700 0.386 0.000 1.192 173 E HN 0.399 nan 8.360 nan 0.000 0.422 174 V N 1.982 121.958 119.914 0.103 0.000 2.617 174 V HA 0.194 4.315 4.120 0.002 0.000 0.304 174 V C 0.155 176.272 176.094 0.038 0.000 1.040 174 V CA -0.179 62.152 62.300 0.052 0.000 1.149 174 V CB 0.989 32.831 31.823 0.033 0.000 0.914 174 V HN 0.530 nan 8.190 nan 0.000 0.487 175 S N 2.194 117.901 115.700 0.012 0.000 2.429 175 S HA 0.383 4.854 4.470 0.002 0.000 0.302 175 S C 0.743 175.286 174.600 -0.095 0.000 1.115 175 S CA -0.520 57.680 58.200 -0.001 0.000 1.095 175 S CB 1.411 64.641 63.200 0.050 0.000 0.987 175 S HN 0.932 nan 8.310 nan 0.000 0.474 176 E N 3.244 123.282 120.200 -0.269 0.000 2.204 176 E HA -0.074 4.277 4.350 0.002 0.000 0.195 176 E C 0.114 176.481 176.600 -0.389 0.000 0.990 176 E CA 1.524 57.677 56.400 -0.413 0.000 0.821 176 E CB -0.117 29.214 29.700 -0.614 0.000 0.750 176 E HN 0.847 nan 8.360 nan 0.000 0.477 177 Y N -0.544 119.770 120.300 0.024 0.000 2.532 177 Y HA 0.325 4.877 4.550 0.002 0.000 0.283 177 Y C 0.049 175.948 175.900 -0.001 0.000 1.181 177 Y CA -0.030 58.081 58.100 0.019 0.000 1.256 177 Y CB -0.104 38.377 38.460 0.036 0.000 1.112 177 Y HN -0.117 nan 8.280 nan 0.000 0.521 178 S N -2.553 113.190 115.700 0.072 0.000 2.683 178 S HA 0.214 4.685 4.470 0.002 0.000 0.278 178 S C -2.752 171.846 174.600 -0.002 0.000 1.059 178 S CA -1.164 57.054 58.200 0.030 0.000 0.847 178 S CB 1.634 64.846 63.200 0.020 0.000 1.078 178 S HN -0.164 nan 8.310 nan 0.000 0.456 179 P HA 0.087 nan 4.420 nan 0.000 0.229 179 P C 0.066 177.349 177.300 -0.029 0.000 1.160 179 P CA 0.832 63.921 63.100 -0.019 0.000 0.777 179 P CB -0.401 31.288 31.700 -0.018 0.000 0.814 180 E N 2.059 122.231 120.200 -0.046 0.000 2.129 180 E HA 0.306 4.657 4.350 0.002 0.000 0.283 180 E C -2.429 174.129 176.600 -0.069 0.000 1.080 180 E CA -2.487 53.870 56.400 -0.072 0.000 0.867 180 E CB -0.663 28.967 29.700 -0.116 0.000 1.056 180 E HN 0.379 nan 8.360 nan 0.000 0.404 181 P HA 0.129 nan 4.420 nan 0.000 0.272 181 P C -0.452 176.797 177.300 -0.086 0.000 1.223 181 P CA -0.572 62.508 63.100 -0.034 0.000 0.784 181 P CB 0.507 32.211 31.700 0.006 0.000 0.923 182 N N 1.209 119.864 118.700 -0.075 0.000 2.454 182 N HA 0.112 4.853 4.740 0.002 0.000 0.260 182 N C 0.206 175.539 175.510 -0.294 0.000 1.218 182 N CA 0.207 53.136 53.050 -0.203 0.000 0.904 182 N CB -0.178 38.199 38.487 -0.183 0.000 1.065 182 N HN 0.430 nan 8.380 nan 0.000 0.462 183 I N -0.606 119.746 120.570 -0.362 0.000 2.530 183 I HA 0.646 4.817 4.170 0.002 0.000 0.297 183 I C -1.295 174.563 176.117 -0.431 0.000 1.011 183 I CA -0.618 60.517 61.300 -0.275 0.000 1.107 183 I CB 1.090 39.025 38.000 -0.109 0.000 1.285 183 I HN 0.113 nan 8.210 nan 0.000 0.436 184 F N 3.521 123.399 119.950 -0.121 0.000 2.536 184 F HA 0.545 5.073 4.527 0.001 0.000 0.322 184 F C 0.418 176.241 175.800 0.038 0.000 1.144 184 F CA -0.587 57.377 58.000 -0.059 0.000 0.924 184 F CB 2.144 40.944 39.000 -0.334 0.000 1.181 184 F HN 0.695 nan 8.300 nan 0.000 0.438 185 T N -0.889 113.843 114.554 0.296 0.000 2.899 185 T HA 0.297 4.648 4.350 0.002 0.000 0.284 185 T C 1.350 176.188 174.700 0.229 0.000 1.004 185 T CA -0.719 61.532 62.100 0.252 0.000 1.043 185 T CB 1.629 70.583 68.868 0.144 0.000 1.013 185 T HN 0.767 nan 8.240 nan 0.000 0.518 186 R N 1.101 121.725 120.500 0.205 0.000 2.096 186 R HA -0.143 4.198 4.340 0.002 0.000 0.240 186 R C 2.504 178.856 176.300 0.088 0.000 1.139 186 R CA 1.779 57.969 56.100 0.149 0.000 0.952 186 R CB -1.073 29.299 30.300 0.119 0.000 0.854 186 R HN 0.856 nan 8.270 nan 0.000 0.436 187 A N 1.364 124.216 122.820 0.054 0.000 1.908 187 A HA -0.112 4.208 4.320 0.002 0.000 0.218 187 A C 1.333 178.895 177.584 -0.037 0.000 1.181 187 A CA 0.931 52.962 52.037 -0.009 0.000 0.627 187 A CB -0.650 18.322 19.000 -0.047 0.000 0.818 187 A HN 0.394 nan 8.150 nan 0.000 0.445 191 D N 0.817 121.188 120.400 -0.048 0.000 2.269 191 D HA -0.049 4.592 4.640 0.002 0.000 0.208 191 D C 1.892 178.143 176.300 -0.082 0.000 0.963 191 D CA 1.493 55.443 54.000 -0.083 0.000 0.864 191 D CB -0.024 40.693 40.800 -0.139 0.000 0.936 191 D HN 0.245 nan 8.370 nan 0.000 0.505 192 G N 0.030 108.800 108.800 -0.050 0.000 2.432 192 G HA2 -0.276 3.685 3.960 0.002 0.000 0.219 192 G HA3 -0.276 3.685 3.960 0.002 0.000 0.219 192 G C 1.777 176.781 174.900 0.173 0.000 1.135 192 G CA 0.331 45.469 45.100 0.063 0.000 0.767 192 G HN 0.225 nan 8.290 nan 0.000 0.550 193 R N 0.220 120.764 120.500 0.073 0.000 2.115 193 R HA 0.131 4.472 4.340 0.002 0.000 0.226 193 R C 2.980 179.311 176.300 0.052 0.000 1.100 193 R CA 0.853 56.988 56.100 0.058 0.000 0.980 193 R CB -0.238 30.075 30.300 0.022 0.000 0.875 193 R HN 0.330 nan 8.270 nan 0.000 0.445 194 A N 1.211 124.045 122.820 0.023 0.000 2.024 194 A HA -0.127 4.194 4.320 0.002 0.000 0.220 194 A C 1.375 178.977 177.584 0.029 0.000 1.164 194 A CA 1.299 53.340 52.037 0.007 0.000 0.643 194 A CB -0.172 18.810 19.000 -0.029 0.000 0.806 194 A HN 0.275 nan 8.150 nan 0.000 0.451 195 N N -0.798 117.943 118.700 0.069 0.000 2.238 195 N HA 0.052 4.793 4.740 0.002 0.000 0.222 195 N C 0.146 175.884 175.510 0.380 0.000 1.133 195 N CA -0.124 53.006 53.050 0.133 0.000 0.854 195 N CB 0.281 38.712 38.487 -0.094 0.000 1.041 195 N HN 0.435 nan 8.380 nan 0.000 0.510 196 R N 1.909 122.558 120.500 0.248 0.000 2.449 196 R HA 0.091 4.432 4.340 0.002 0.000 0.296 196 R C 0.324 176.682 176.300 0.097 0.000 1.047 196 R CA -0.026 56.167 56.100 0.155 0.000 1.018 196 R CB 0.461 30.785 30.300 0.041 0.000 0.962 196 R HN -0.091 nan 8.270 nan 0.000 0.428 203 D N 4.807 125.233 120.400 0.043 0.000 2.359 203 D HA 0.255 4.896 4.640 0.002 0.000 0.230 203 D C 1.120 177.442 176.300 0.038 0.000 1.118 203 D CA -0.135 53.886 54.000 0.035 0.000 0.844 203 D CB 1.857 42.675 40.800 0.030 0.000 1.059 203 D HN 0.715 nan 8.370 nan 0.000 0.493 204 T N -1.277 113.299 114.554 0.037 0.000 3.010 204 T HA 0.170 4.521 4.350 0.002 0.000 0.252 204 T C 1.629 176.349 174.700 0.034 0.000 1.047 204 T CA 0.533 62.657 62.100 0.040 0.000 1.140 204 T CB 0.116 69.009 68.868 0.042 0.000 0.885 204 T HN 0.500 nan 8.240 nan 0.000 0.464 205 G N 1.339 110.156 108.800 0.028 0.000 2.166 205 G HA2 -0.271 3.690 3.960 0.002 0.000 0.260 205 G HA3 -0.271 3.690 3.960 0.002 0.000 0.260 205 G C 0.361 175.276 174.900 0.025 0.000 0.986 205 G CA 0.514 45.629 45.100 0.024 0.000 0.683 205 G HN 1.546 nan 8.290 nan 0.000 0.527 206 C N -3.606 115.711 119.300 0.028 0.000 3.318 206 C HA 0.870 5.331 4.460 0.002 0.000 0.322 206 C C -2.616 172.393 174.990 0.032 0.000 1.398 206 C CA -1.953 57.083 59.018 0.030 0.000 1.339 206 C CB 1.346 29.108 27.740 0.035 0.000 1.668 206 C HN 0.183 nan 8.230 nan 0.000 0.462 207 P HA 0.417 nan 4.420 nan 0.000 0.269 207 P C -0.858 176.472 177.300 0.051 0.000 1.209 207 P CA 0.034 63.154 63.100 0.034 0.000 0.776 207 P CB 0.527 32.246 31.700 0.033 0.000 0.876 208 V N 2.784 122.729 119.914 0.052 0.000 2.588 208 V HA 0.331 4.452 4.120 0.002 0.000 0.304 208 V C -0.555 175.606 176.094 0.111 0.000 1.042 208 V CA -0.450 61.897 62.300 0.078 0.000 0.877 208 V CB 1.551 33.412 31.823 0.063 0.000 0.996 208 V HN 0.624 nan 8.190 nan 0.000 0.425 209 H N 4.427 123.516 119.070 0.032 0.000 2.727 209 H HA 0.675 5.230 4.556 -0.000 0.000 0.330 209 H C -1.091 174.258 175.328 0.036 0.000 0.986 209 H CA -0.778 55.289 56.048 0.032 0.000 1.251 209 H CB 1.372 31.153 29.762 0.031 0.000 1.493 209 H HN 0.594 nan 8.280 nan 0.000 0.515 210 I N 6.277 127.043 120.570 0.327 0.000 2.359 210 I HA 0.200 4.371 4.170 0.002 0.000 0.294 210 I C -0.695 175.531 176.117 0.181 0.000 0.987 210 I CA -0.594 60.815 61.300 0.181 0.000 1.225 210 I CB 1.614 39.694 38.000 0.132 0.000 1.366 210 I HN 0.385 nan 8.210 nan 0.000 0.466 211 L N 6.085 127.345 121.223 0.061 0.000 2.333 211 L HA 0.586 4.927 4.340 0.002 0.000 0.280 211 L C -0.608 176.297 176.870 0.058 0.000 1.004 211 L CA -0.448 54.411 54.840 0.032 0.000 0.820 211 L CB 1.688 43.719 42.059 -0.048 0.000 1.247 211 L HN 0.513 nan 8.230 nan 0.000 0.416 212 Q N 1.997 121.843 119.800 0.076 0.000 2.284 212 Q HA 0.619 4.960 4.340 0.002 0.000 0.269 212 Q C -0.616 175.440 176.000 0.092 0.000 1.026 212 Q CA -0.364 55.500 55.803 0.103 0.000 0.831 212 Q CB 2.214 31.038 28.738 0.144 0.000 1.322 212 Q HN 0.645 nan 8.270 nan 0.000 0.419 216 D N 1.978 122.471 120.400 0.155 0.000 2.339 216 D HA 0.342 4.983 4.640 0.002 0.000 0.241 216 D C -1.309 175.067 176.300 0.127 0.000 1.183 216 D CA -1.263 52.843 54.000 0.177 0.000 0.859 216 D CB 1.511 42.445 40.800 0.222 0.000 1.067 216 D HN 0.222 nan 8.370 nan 0.000 0.484 217 P HA 0.080 nan 4.420 nan 0.000 0.249 217 P C 0.089 177.388 177.300 -0.001 0.000 1.229 217 P CA 0.264 63.396 63.100 0.052 0.000 0.788 217 P CB 0.918 32.647 31.700 0.049 0.000 1.072 218 D N -0.440 119.927 120.400 -0.056 0.000 2.725 218 D HA 0.054 4.695 4.640 0.002 0.000 0.269 218 D C 0.446 176.618 176.300 -0.214 0.000 1.018 218 D CA 0.665 54.548 54.000 -0.194 0.000 0.956 218 D CB 0.338 40.858 40.800 -0.468 0.000 1.141 218 D HN -0.046 nan 8.370 nan 0.000 0.478 219 V N 4.273 124.089 119.914 -0.162 0.000 2.293 219 V HA 0.268 4.389 4.120 0.002 0.000 0.275 219 V C -2.369 173.745 176.094 0.033 0.000 1.021 219 V CA -1.651 60.610 62.300 -0.064 0.000 0.815 219 V CB 1.448 33.310 31.823 0.066 0.000 1.025 219 V HN -0.056 nan 8.190 nan 0.000 0.448 220 P HA 0.013 nan 4.420 nan 0.000 0.266 220 P C 0.461 177.784 177.300 0.038 0.000 1.195 220 P CA -0.004 63.095 63.100 -0.002 0.000 0.768 220 P CB 0.321 31.967 31.700 -0.090 0.000 0.838 221 Y N 1.862 122.211 120.300 0.081 0.000 2.333 221 Y HA -0.233 4.318 4.550 0.002 0.000 0.290 221 Y C 1.778 177.731 175.900 0.089 0.000 1.144 221 Y CA 1.183 59.335 58.100 0.087 0.000 1.228 221 Y CB -1.475 37.026 38.460 0.068 0.000 0.985 221 Y HN 0.209 nan 8.280 nan 0.000 0.542 222 Q N -0.129 119.302 119.800 -0.615 0.000 2.234 222 Q HA -0.193 4.148 4.340 0.002 0.000 0.206 222 Q C 1.882 177.846 176.000 -0.059 0.000 0.980 222 Q CA 1.844 57.434 55.803 -0.356 0.000 0.869 222 Q CB -0.535 27.974 28.738 -0.381 0.000 0.912 222 Q HN 0.737 nan 8.270 nan 0.000 0.436 223 H N -0.242 118.768 119.070 -0.100 0.000 2.423 223 H HA 0.025 4.581 4.556 0.001 0.000 0.297 223 H C 1.748 177.078 175.328 0.003 0.000 1.075 223 H CA 1.478 57.500 56.048 -0.044 0.000 1.342 223 H CB -0.057 29.684 29.762 -0.035 0.000 1.395 223 H HN 0.289 nan 8.280 nan 0.000 0.530 224 A N 0.102 122.973 122.820 0.084 0.000 1.930 224 A HA -0.061 4.260 4.320 0.002 0.000 0.217 224 A C 2.444 180.051 177.584 0.039 0.000 1.175 224 A CA 1.201 53.276 52.037 0.064 0.000 0.627 224 A CB -0.717 18.363 19.000 0.133 0.000 0.815 224 A HN 0.437 nan 8.150 nan 0.000 0.443 225 L N -0.561 120.695 121.223 0.055 0.000 2.046 225 L HA -0.198 4.143 4.340 0.002 0.000 0.208 225 L C 2.620 179.496 176.870 0.010 0.000 1.077 225 L CA 1.894 56.760 54.840 0.044 0.000 0.747 225 L CB -0.375 41.721 42.059 0.061 0.000 0.896 225 L HN 0.462 nan 8.230 nan 0.000 0.432 226 K N 0.349 120.736 120.400 -0.021 0.000 2.026 226 K HA -0.244 4.077 4.320 0.002 0.000 0.208 226 K C 2.179 178.807 176.600 0.048 0.000 1.048 226 K CA 1.470 57.754 56.287 -0.007 0.000 0.929 226 K CB -0.145 32.305 32.500 -0.085 0.000 0.713 226 K HN 0.077 nan 8.250 nan 0.000 0.439 227 L N 1.107 122.289 121.223 -0.069 0.000 2.042 227 L HA -0.151 4.190 4.340 0.002 0.000 0.210 227 L C 1.975 178.871 176.870 0.043 0.000 1.076 227 L CA 1.471 56.293 54.840 -0.030 0.000 0.749 227 L CB -0.453 41.557 42.059 -0.082 0.000 0.893 227 L HN 0.014 nan 8.230 nan 0.000 0.432 228 V N -0.111 119.818 119.914 0.025 0.000 2.407 228 V HA -0.289 3.832 4.120 0.002 0.000 0.248 228 V C 2.432 178.521 176.094 -0.007 0.000 1.055 228 V CA 1.995 64.306 62.300 0.018 0.000 1.049 228 V CB -0.747 31.087 31.823 0.019 0.000 0.662 228 V HN 0.532 nan 8.190 nan 0.000 0.455 229 E N -0.787 119.396 120.200 -0.029 0.000 2.333 229 E HA -0.191 4.160 4.350 0.002 0.000 0.198 229 E C 1.569 177.985 176.600 -0.306 0.000 1.007 229 E CA 1.070 57.382 56.400 -0.148 0.000 0.845 229 E CB -0.105 29.486 29.700 -0.183 0.000 0.766 229 E HN 0.763 nan 8.360 nan 0.000 0.507 230 H N -0.941 118.106 119.070 -0.038 0.000 2.652 230 H HA 0.254 4.811 4.556 0.001 0.000 0.274 230 H C 0.047 175.363 175.328 -0.019 0.000 1.021 230 H CA -0.116 55.912 56.048 -0.033 0.000 1.187 230 H CB 0.465 30.197 29.762 -0.050 0.000 1.505 230 H HN -0.054 nan 8.280 nan 0.000 0.530 231 L N 0.519 121.768 121.223 0.044 0.000 2.331 231 L HA 0.426 4.767 4.340 0.002 0.000 0.268 231 L C -1.900 174.977 176.870 0.011 0.000 1.015 231 L CA -2.338 52.523 54.840 0.035 0.000 0.807 231 L CB 1.140 43.220 42.059 0.035 0.000 1.293 231 L HN -0.032 nan 8.230 nan 0.000 0.451 232 P HA 0.026 nan 4.420 nan 0.000 0.270 232 P C -0.268 177.031 177.300 -0.003 0.000 1.223 232 P CA -0.163 62.940 63.100 0.006 0.000 0.785 232 P CB 0.599 32.305 31.700 0.011 0.000 0.923 233 A N 0.900 123.716 122.820 -0.007 0.000 2.239 233 A HA 0.002 4.323 4.320 0.002 0.000 0.209 233 A C 0.290 177.869 177.584 -0.008 0.000 1.171 233 A CA 0.969 52.999 52.037 -0.011 0.000 0.768 233 A CB -0.561 18.431 19.000 -0.013 0.000 0.790 233 A HN 0.478 nan 8.150 nan 0.000 0.478 234 D N -1.192 119.206 120.400 -0.004 0.000 2.601 234 D HA 0.303 4.944 4.640 0.002 0.000 0.230 234 D C -0.828 175.471 176.300 -0.003 0.000 1.106 234 D CA -0.405 53.592 54.000 -0.005 0.000 0.873 234 D CB 0.999 41.798 40.800 -0.002 0.000 1.515 234 D HN -0.038 nan 8.370 nan 0.000 0.468 235 D N 0.118 120.514 120.400 -0.007 0.000 2.772 235 D HA -0.144 4.497 4.640 0.002 0.000 0.233 235 D C -1.121 175.175 176.300 -0.008 0.000 1.143 235 D CA 0.624 54.620 54.000 -0.007 0.000 0.700 235 D CB -0.657 40.145 40.800 0.003 0.000 1.076 235 D HN 0.092 nan 8.370 nan 0.000 0.430 236 V N 0.224 120.128 119.914 -0.016 0.000 2.588 236 V HA 0.650 4.771 4.120 0.002 0.000 0.304 236 V C 0.373 176.439 176.094 -0.047 0.000 1.042 236 V CA -0.775 61.517 62.300 -0.014 0.000 0.877 236 V CB 2.544 34.369 31.823 0.003 0.000 0.996 236 V HN -0.063 nan 8.190 nan 0.000 0.425 237 V N 5.452 125.316 119.914 -0.084 0.000 2.709 237 V HA 0.567 4.688 4.120 0.002 0.000 0.308 237 V C -0.945 175.106 176.094 -0.071 0.000 1.062 237 V CA -0.661 61.540 62.300 -0.165 0.000 0.901 237 V CB 2.011 33.585 31.823 -0.415 0.000 1.003 237 V HN 0.673 nan 8.190 nan 0.000 0.425 238 L N 4.237 125.453 121.223 -0.011 0.000 2.343 238 L HA 0.737 5.078 4.340 0.002 0.000 0.278 238 L C -0.118 176.810 176.870 0.096 0.000 0.996 238 L CA 0.396 55.286 54.840 0.083 0.000 0.831 238 L CB 1.959 44.060 42.059 0.071 0.000 1.232 238 L HN 0.687 nan 8.230 nan 0.000 0.413 239 T N 6.658 121.318 114.554 0.177 0.000 2.770 239 T HA 0.528 4.879 4.350 0.002 0.000 0.297 239 T C -0.176 174.582 174.700 0.097 0.000 0.997 239 T CA -0.139 62.053 62.100 0.152 0.000 0.949 239 T CB 0.386 69.401 68.868 0.246 0.000 0.941 239 T HN 0.438 nan 8.240 nan 0.000 0.457 240 L N 3.895 125.151 121.223 0.056 0.000 2.272 240 L HA 0.548 4.889 4.340 0.002 0.000 0.289 240 L C -0.381 176.487 176.870 -0.003 0.000 1.032 240 L CA -0.914 53.939 54.840 0.021 0.000 0.810 240 L CB 1.407 43.454 42.059 -0.019 0.000 1.205 240 L HN 0.337 nan 8.230 nan 0.000 0.422 241 V N 4.195 124.108 119.914 -0.002 0.000 2.328 241 V HA 0.232 4.353 4.120 0.002 0.000 0.278 241 V C 0.952 177.030 176.094 -0.026 0.000 1.021 241 V CA -0.651 61.646 62.300 -0.005 0.000 0.838 241 V CB 1.270 33.100 31.823 0.012 0.000 0.999 241 V HN 0.726 nan 8.190 nan 0.000 0.447 242 R N 4.643 125.118 120.500 -0.042 0.000 2.096 242 R HA -0.163 4.178 4.340 0.002 0.000 0.240 242 R C 1.408 177.690 176.300 -0.030 0.000 1.139 242 R CA 2.593 58.656 56.100 -0.062 0.000 0.952 242 R CB -0.196 30.073 30.300 -0.052 0.000 0.854 242 R HN 0.841 nan 8.270 nan 0.000 0.436 243 D N -1.345 119.050 120.400 -0.008 0.000 2.342 243 D HA 0.144 4.785 4.640 0.002 0.000 0.221 243 D C 0.405 176.720 176.300 0.025 0.000 1.101 243 D CA 0.104 54.110 54.000 0.010 0.000 0.837 243 D CB -0.343 40.462 40.800 0.010 0.000 0.938 243 D HN 0.270 nan 8.370 nan 0.000 0.508 244 G N 0.677 109.493 108.800 0.027 0.000 2.442 244 G HA2 0.380 4.341 3.960 0.002 0.000 0.249 244 G HA3 0.380 4.341 3.960 0.002 0.000 0.249 244 G C -0.058 174.883 174.900 0.069 0.000 1.263 244 G CA -0.323 44.801 45.100 0.041 0.000 0.846 244 G HN 0.286 nan 8.290 nan 0.000 0.555 245 D N -0.800 119.649 120.400 0.081 0.000 2.567 245 D HA 0.142 4.783 4.640 0.002 0.000 0.275 245 D C 1.140 177.531 176.300 0.151 0.000 1.195 245 D CA -0.727 53.349 54.000 0.128 0.000 1.087 245 D CB 0.275 41.158 40.800 0.138 0.000 1.165 245 D HN 0.331 nan 8.370 nan 0.000 0.609 246 H N -1.025 118.104 119.070 0.098 0.000 2.423 246 H HA 0.130 4.687 4.556 0.003 0.000 0.297 246 H C 1.772 177.110 175.328 0.015 0.000 1.075 246 H CA 1.640 57.728 56.048 0.066 0.000 1.342 246 H CB 0.291 30.103 29.762 0.084 0.000 1.395 246 H HN 0.271 nan 8.280 nan 0.000 0.530 247 R N -0.130 120.331 120.500 -0.065 0.000 2.153 247 R HA 0.090 4.431 4.340 0.002 0.000 0.218 247 R C 0.547 176.796 176.300 -0.086 0.000 1.072 247 R CA 0.655 56.674 56.100 -0.135 0.000 0.990 247 R CB 0.102 30.355 30.300 -0.077 0.000 0.889 247 R HN 0.244 nan 8.270 nan 0.000 0.452 248 L N 2.066 123.267 121.223 -0.037 0.000 3.879 248 L HA -0.230 4.111 4.340 0.002 0.000 0.481 248 L C 0.137 176.996 176.870 -0.018 0.000 1.232 248 L CA 0.563 55.392 54.840 -0.018 0.000 0.736 248 L CB -1.415 40.631 42.059 -0.022 0.000 1.511 248 L HN 0.316 nan 8.230 nan 0.000 0.830 249 S N -2.465 113.225 115.700 -0.017 0.000 2.819 249 S HA 0.284 4.755 4.470 0.002 0.000 0.249 249 S C 0.619 175.208 174.600 -0.018 0.000 1.030 249 S CA -0.811 57.374 58.200 -0.024 0.000 1.052 249 S CB 0.506 63.684 63.200 -0.036 0.000 1.017 249 S HN 0.478 nan 8.310 nan 0.000 0.576 250 R N 1.738 122.234 120.500 -0.008 0.000 2.774 250 R HA 0.269 4.610 4.340 0.002 0.000 0.269 250 R C -1.813 174.480 176.300 -0.012 0.000 1.068 250 R CA -1.548 54.549 56.100 -0.006 0.000 1.180 250 R CB -0.317 29.985 30.300 0.002 0.000 1.077 250 R HN 0.036 nan 8.270 nan 0.000 0.513 251 P HA -0.297 nan 4.420 nan 0.000 0.216 251 P C 1.081 178.375 177.300 -0.011 0.000 1.157 251 P CA 1.632 64.724 63.100 -0.014 0.000 0.880 251 P CB 0.040 31.733 31.700 -0.011 0.000 0.791 252 Q N -0.744 119.052 119.800 -0.006 0.000 2.135 252 Q HA -0.200 4.141 4.340 0.002 0.000 0.204 252 Q C 1.390 177.387 176.000 -0.005 0.000 0.981 252 Q CA 1.662 57.462 55.803 -0.004 0.000 0.856 252 Q CB -1.024 27.714 28.738 0.000 0.000 0.902 252 Q HN 0.234 nan 8.270 nan 0.000 0.425 253 D N 1.170 121.566 120.400 -0.006 0.000 2.117 253 D HA -0.094 4.547 4.640 0.002 0.000 0.198 253 D C 2.065 178.356 176.300 -0.014 0.000 0.982 253 D CA 0.878 54.873 54.000 -0.008 0.000 0.828 253 D CB -0.030 40.767 40.800 -0.006 0.000 0.967 253 D HN 0.268 nan 8.370 nan 0.000 0.464 254 I N 1.394 121.953 120.570 -0.018 0.000 2.226 254 I HA -0.226 3.945 4.170 0.002 0.000 0.245 254 I C 2.153 178.257 176.117 -0.022 0.000 1.100 254 I CA 1.180 62.465 61.300 -0.025 0.000 1.374 254 I CB -1.015 36.964 38.000 -0.035 0.000 1.057 254 I HN -0.033 nan 8.210 nan 0.000 0.413 255 D N 0.478 120.868 120.400 -0.016 0.000 2.123 255 D HA -0.141 4.500 4.640 0.002 0.000 0.196 255 D C 1.595 177.888 176.300 -0.011 0.000 0.992 255 D CA 0.943 54.936 54.000 -0.012 0.000 0.833 255 D CB 0.230 41.026 40.800 -0.007 0.000 0.954 255 D HN 0.173 nan 8.370 nan 0.000 0.455 259 N N 1.676 120.375 118.700 -0.002 0.000 2.188 259 N HA -0.051 4.690 4.740 0.002 0.000 0.184 259 N C 1.586 177.112 175.510 0.027 0.000 1.018 259 N CA 1.737 54.796 53.050 0.015 0.000 0.858 259 N CB -0.122 38.378 38.487 0.021 0.000 0.989 259 N HN 0.282 nan 8.380 nan 0.000 0.426 260 A N 1.122 123.938 122.820 -0.006 0.000 1.902 260 A HA -0.057 4.264 4.320 0.002 0.000 0.217 260 A C 2.304 179.910 177.584 0.036 0.000 1.181 260 A CA 0.937 52.971 52.037 -0.006 0.000 0.623 260 A CB -0.629 18.206 19.000 -0.275 0.000 0.818 260 A HN 0.214 nan 8.150 nan 0.000 0.443 261 I N -1.070 119.511 120.570 0.017 0.000 2.252 261 I HA -0.221 3.950 4.170 0.002 0.000 0.245 261 I C 2.667 178.807 176.117 0.038 0.000 1.102 261 I CA 1.562 62.883 61.300 0.036 0.000 1.385 261 I CB -0.340 37.682 38.000 0.038 0.000 1.064 261 I HN 0.357 nan 8.210 nan 0.000 0.414 262 R N 1.660 122.178 120.500 0.030 0.000 2.105 262 R HA -0.106 4.235 4.340 0.002 0.000 0.239 262 R C 1.402 177.724 176.300 0.036 0.000 1.135 262 R CA 1.142 57.259 56.100 0.028 0.000 0.967 262 R CB -0.148 30.165 30.300 0.021 0.000 0.861 262 R HN 0.346 nan 8.270 nan 0.000 0.442 266 E N 0.000 120.214 120.200 0.024 0.000 2.725 266 E HA 0.000 4.351 4.350 0.002 0.000 0.291 266 E CA 0.000 56.412 56.400 0.020 0.000 0.976 266 E CB 0.000 29.711 29.700 0.019 0.000 0.812 266 E HN 0.000 nan 8.360 nan 0.000 0.440