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 3mbx_1_H DATA FIRST_RESID 2 DATA SEQUENCE VTLKESGPGI LQPSQTLSLT cSFSGFSLST YGMGVGWIRQ PSGKGLEWLA DATA SEQUENCE HIWWDDVKRY NPALKSRLTI SKDTSGSQVF LKIASVDTSD TATYYcARMG DATA SEQUENCE SDYDVWFDYW GQGTLVTVSA ASTKGPSVFP LAPSSKSTSG GTAALGcLVK DATA SEQUENCE DYFPEPVTVS WNSGALTSGV HTFPAVLQSS GLYSLSSVVT VPSSSLGTQT DATA SEQUENCE YIcNVNHKPS NTKVDKKVEP KSCHHHHHH 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.026 176.094 -0.113 0.000 1.182 2 V CA 0.000 62.134 62.300 -0.276 0.000 1.235 2 V CB 0.000 31.372 31.823 -0.751 0.000 1.184 3 T N 2.192 116.772 114.554 0.043 0.000 2.893 3 T HA 0.954 5.304 4.350 -0.001 0.000 0.291 3 T C -1.208 173.593 174.700 0.169 0.000 1.028 3 T CA -0.747 61.406 62.100 0.088 0.000 0.995 3 T CB 2.008 70.914 68.868 0.063 0.000 1.051 3 T HN 0.423 nan 8.240 nan 0.000 0.470 4 L N 1.303 122.624 121.223 0.162 0.000 2.422 4 L HA 0.729 5.068 4.340 -0.001 0.000 0.264 4 L C -0.430 176.514 176.870 0.123 0.000 0.984 4 L CA -0.706 54.238 54.840 0.174 0.000 0.819 4 L CB 2.479 44.625 42.059 0.144 0.000 1.330 4 L HN 0.821 nan 8.230 nan 0.000 0.410 5 K N 1.721 122.180 120.400 0.099 0.000 2.565 5 K HA 0.553 4.872 4.320 -0.001 0.000 0.249 5 K C -1.312 175.341 176.600 0.088 0.000 0.958 5 K CA -0.593 55.745 56.287 0.084 0.000 0.806 5 K CB 1.565 34.101 32.500 0.060 0.000 1.194 5 K HN 0.530 nan 8.250 nan 0.000 0.434 6 E N 1.223 121.492 120.200 0.116 0.000 2.301 6 E HA 0.276 4.626 4.350 -0.001 0.000 0.275 6 E C -0.852 175.837 176.600 0.147 0.000 1.030 6 E CA -0.319 56.193 56.400 0.187 0.000 0.852 6 E CB 1.583 31.436 29.700 0.256 0.000 1.060 6 E HN 0.561 nan 8.360 nan 0.000 0.401 7 S N 0.329 116.124 115.700 0.158 0.000 2.570 7 S HA 0.931 5.400 4.470 -0.001 0.000 0.286 7 S C -0.090 174.546 174.600 0.060 0.000 1.099 7 S CA -0.596 57.655 58.200 0.085 0.000 0.913 7 S CB 2.114 65.350 63.200 0.061 0.000 1.085 7 S HN 0.614 nan 8.310 nan 0.000 0.480 8 G N 0.269 109.072 108.800 0.005 0.000 2.663 8 G HA2 0.672 4.631 3.960 -0.001 0.000 0.299 8 G HA3 0.672 4.631 3.960 -0.001 0.000 0.299 8 G C -2.482 172.384 174.900 -0.056 0.000 1.372 8 G CA -0.970 44.101 45.100 -0.048 0.000 0.781 8 G HN 0.571 nan 8.290 nan 0.000 0.491 9 P HA 0.136 nan 4.420 nan 0.000 0.241 9 P C 1.502 178.760 177.300 -0.069 0.000 1.191 9 P CA 1.427 64.486 63.100 -0.069 0.000 0.771 9 P CB 0.547 32.202 31.700 -0.075 0.000 0.929 10 G N 1.160 109.916 108.800 -0.074 0.000 3.078 10 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.227 10 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.227 10 G C 0.092 174.948 174.900 -0.073 0.000 1.306 10 G CA 0.426 45.478 45.100 -0.080 0.000 0.841 10 G HN 0.575 nan 8.290 nan 0.000 0.530 11 I N 0.948 121.484 120.570 -0.056 0.000 2.827 11 I HA 0.713 4.882 4.170 -0.001 0.000 0.298 11 I C -0.805 175.303 176.117 -0.014 0.000 1.235 11 I CA -1.089 60.195 61.300 -0.027 0.000 1.021 11 I CB 1.829 39.827 38.000 -0.005 0.000 1.259 11 I HN 0.821 nan 8.210 nan 0.000 0.427 12 L N 3.326 124.549 121.223 0.001 0.000 2.568 12 L HA 0.610 4.949 4.340 -0.001 0.000 0.257 12 L C -1.745 175.137 176.870 0.020 0.000 1.024 12 L CA -0.848 53.991 54.840 -0.002 0.000 0.854 12 L CB 2.168 44.206 42.059 -0.035 0.000 1.460 12 L HN 0.615 nan 8.230 nan 0.000 0.409 13 Q N 0.876 120.685 119.800 0.015 0.000 2.227 13 Q HA 0.487 4.826 4.340 -0.001 0.000 0.245 13 Q C -2.429 173.578 176.000 0.012 0.000 0.926 13 Q CA -1.768 54.049 55.803 0.024 0.000 0.895 13 Q CB 0.922 29.671 28.738 0.019 0.000 1.230 13 Q HN 0.440 nan 8.270 nan 0.000 0.450 14 P HA -0.172 nan 4.420 nan 0.000 0.265 14 P C 0.041 177.340 177.300 -0.001 0.000 1.187 14 P CA 1.143 64.249 63.100 0.010 0.000 0.766 14 P CB 0.624 32.333 31.700 0.015 0.000 0.820 15 S N -0.158 115.537 115.700 -0.009 0.000 2.154 15 S HA -0.216 4.253 4.470 -0.001 0.000 0.247 15 S C 0.339 174.924 174.600 -0.025 0.000 1.170 15 S CA 0.653 58.843 58.200 -0.016 0.000 1.419 15 S CB -2.093 61.099 63.200 -0.013 0.000 1.768 15 S HN 0.561 nan 8.310 nan 0.000 0.587 16 Q N 1.347 121.131 119.800 -0.026 0.000 2.407 16 Q HA 0.513 4.853 4.340 -0.001 0.000 0.214 16 Q C -0.255 175.713 176.000 -0.053 0.000 1.043 16 Q CA 0.394 56.175 55.803 -0.037 0.000 0.983 16 Q CB 0.383 29.101 28.738 -0.034 0.000 1.211 16 Q HN 0.434 nan 8.270 nan 0.000 0.564 17 T N 1.749 116.265 114.554 -0.064 0.000 2.744 17 T HA 0.306 4.655 4.350 -0.001 0.000 0.291 17 T C -0.616 174.020 174.700 -0.106 0.000 0.957 17 T CA -0.557 61.492 62.100 -0.085 0.000 1.002 17 T CB 0.349 69.167 68.868 -0.082 0.000 0.919 17 T HN 0.242 nan 8.240 nan 0.000 0.468 18 L N 3.932 125.072 121.223 -0.138 0.000 2.319 18 L HA 0.493 4.833 4.340 -0.001 0.000 0.280 18 L C -0.142 176.604 176.870 -0.206 0.000 1.099 18 L CA 0.402 55.129 54.840 -0.188 0.000 0.828 18 L CB 0.807 42.709 42.059 -0.262 0.000 1.150 18 L HN 0.490 nan 8.230 nan 0.000 0.442 19 S N 6.204 121.793 115.700 -0.185 0.000 2.530 19 S HA 0.681 5.150 4.470 -0.001 0.000 0.322 19 S C -0.556 173.941 174.600 -0.171 0.000 1.085 19 S CA -0.501 57.601 58.200 -0.164 0.000 1.096 19 S CB 0.749 63.882 63.200 -0.112 0.000 0.988 19 S HN 0.544 nan 8.310 nan 0.000 0.466 20 L N 2.476 123.559 121.223 -0.233 0.000 2.342 20 L HA 0.695 5.034 4.340 -0.001 0.000 0.271 20 L C -0.040 176.848 176.870 0.031 0.000 1.008 20 L CA -0.553 54.154 54.840 -0.221 0.000 0.818 20 L CB 2.236 43.912 42.059 -0.639 0.000 1.296 20 L HN 0.457 nan 8.230 nan 0.000 0.427 21 T N 0.240 114.928 114.554 0.223 0.000 2.893 21 T HA 0.324 4.673 4.350 -0.001 0.000 0.293 21 T C -1.316 173.613 174.700 0.383 0.000 1.027 21 T CA -0.395 61.902 62.100 0.328 0.000 0.988 21 T CB 1.800 70.836 68.868 0.279 0.000 1.043 21 T HN 0.626 nan 8.240 nan 0.000 0.461 22 c N 3.092 121.852 118.600 0.268 0.000 2.319 22 c HA 0.772 5.341 4.570 -0.001 0.000 0.323 22 c C -0.139 173.943 174.090 -0.013 0.000 1.277 22 c CA -0.278 56.120 56.329 0.115 0.000 1.517 22 c CB -0.517 41.958 42.510 -0.058 0.000 2.206 22 c HN 0.883 nan 8.230 nan 0.000 0.486 23 S N 5.179 120.856 115.700 -0.038 0.000 2.454 23 S HA 0.867 5.337 4.470 -0.001 0.000 0.306 23 S C -0.795 173.726 174.600 -0.132 0.000 1.100 23 S CA -0.384 57.678 58.200 -0.230 0.000 1.087 23 S CB 0.866 63.982 63.200 -0.141 0.000 1.019 23 S HN 0.735 nan 8.310 nan 0.000 0.480 24 F N -0.721 119.109 119.950 -0.200 0.000 2.643 24 F HA 0.904 5.430 4.527 -0.001 0.000 0.314 24 F C -0.308 175.322 175.800 -0.285 0.000 1.096 24 F CA -0.938 56.925 58.000 -0.229 0.000 0.953 24 F CB 1.221 40.041 39.000 -0.300 0.000 1.345 24 F HN 0.367 nan 8.300 nan 0.000 0.468 25 S N -0.774 114.947 115.700 0.035 0.000 2.595 25 S HA 0.688 5.157 4.470 -0.001 0.000 0.281 25 S C 0.310 174.946 174.600 0.060 0.000 1.117 25 S CA -0.322 57.864 58.200 -0.024 0.000 0.873 25 S CB 1.415 64.602 63.200 -0.021 0.000 1.108 25 S HN 1.832 nan 8.310 nan 0.000 0.477 26 G N 0.573 109.401 108.800 0.047 0.000 2.176 26 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.253 26 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.253 26 G C -0.201 174.840 174.900 0.235 0.000 0.979 26 G CA 0.691 45.854 45.100 0.106 0.000 0.641 26 G HN 1.407 nan 8.290 nan 0.000 0.530 27 F N -1.122 118.852 119.950 0.039 0.000 2.713 27 F HA 0.850 5.376 4.527 -0.001 0.000 0.311 27 F C -0.706 175.193 175.800 0.165 0.000 1.141 27 F CA -1.108 56.915 58.000 0.039 0.000 0.939 27 F CB 1.227 40.196 39.000 -0.051 0.000 1.325 27 F HN 0.553 nan 8.300 nan 0.000 0.453 28 S N 1.143 116.914 115.700 0.118 0.000 2.541 28 S HA 0.589 5.058 4.470 -0.001 0.000 0.280 28 S C -0.440 174.288 174.600 0.213 0.000 1.112 28 S CA -0.521 57.740 58.200 0.101 0.000 0.925 28 S CB 1.556 64.794 63.200 0.063 0.000 1.067 28 S HN 0.793 nan 8.310 nan 0.000 0.479 29 L N 3.900 125.274 121.223 0.252 0.000 2.610 29 L HA 0.254 4.593 4.340 -0.001 0.000 0.232 29 L C 1.993 179.014 176.870 0.251 0.000 1.149 29 L CA 1.030 56.036 54.840 0.276 0.000 0.872 29 L CB -0.518 41.712 42.059 0.285 0.000 0.992 29 L HN 0.674 nan 8.230 nan 0.000 0.447 30 S N -1.904 113.902 115.700 0.178 0.000 2.522 30 S HA 0.047 4.516 4.470 -0.001 0.000 0.227 30 S C 0.925 175.608 174.600 0.138 0.000 0.986 30 S CA 0.358 58.652 58.200 0.155 0.000 0.929 30 S CB -0.122 63.137 63.200 0.099 0.000 0.769 30 S HN 0.396 nan 8.310 nan 0.000 0.529 31 T N 1.658 116.272 114.554 0.101 0.000 2.867 31 T HA 0.320 4.669 4.350 -0.001 0.000 0.282 31 T C -0.526 174.021 174.700 -0.255 0.000 1.000 31 T CA -0.549 61.548 62.100 -0.005 0.000 1.042 31 T CB 0.715 69.598 68.868 0.026 0.000 0.973 31 T HN 0.270 nan 8.240 nan 0.000 0.465 32 Y N 2.062 122.044 120.300 -0.530 0.000 2.810 32 Y HA 0.264 4.813 4.550 -0.001 0.000 0.332 32 Y C 1.333 176.550 175.900 -1.137 0.000 1.243 32 Y CA 1.539 58.947 58.100 -1.154 0.000 1.537 32 Y CB -0.172 37.908 38.460 -0.632 0.000 1.265 32 Y HN 0.969 nan 8.280 nan 0.000 0.572 33 G N 4.701 111.826 108.800 -2.792 0.000 2.175 33 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.244 33 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.244 33 G C -0.208 174.452 174.900 -0.400 0.000 0.982 33 G CA 0.059 44.248 45.100 -1.519 0.000 0.641 33 G HN 0.530 nan 8.290 nan 0.000 0.527 34 M N 0.895 120.403 119.600 -0.154 0.000 2.264 34 M HA 0.665 5.144 4.480 -0.001 0.000 0.352 34 M C 0.621 177.135 176.300 0.356 0.000 1.173 34 M CA -0.115 55.260 55.300 0.126 0.000 1.075 34 M CB 0.930 33.642 32.600 0.187 0.000 1.621 34 M HN 0.626 nan 8.290 nan 0.000 0.457 35 G N 1.316 110.129 108.800 0.022 0.000 2.692 35 G HA2 0.714 4.674 3.960 -0.001 0.000 0.291 35 G HA3 0.714 4.674 3.960 -0.001 0.000 0.291 35 G C -1.961 172.701 174.900 -0.397 0.000 1.423 35 G CA -0.495 44.441 45.100 -0.274 0.000 0.843 35 G HN 0.531 nan 8.290 nan 0.000 0.486 36 V N -0.468 119.229 119.914 -0.362 0.000 2.841 36 V HA 0.913 5.032 4.120 -0.001 0.000 0.310 36 V C 0.504 176.453 176.094 -0.243 0.000 1.090 36 V CA 0.062 62.165 62.300 -0.328 0.000 0.930 36 V CB 2.053 33.678 31.823 -0.331 0.000 1.014 36 V HN 1.290 nan 8.190 nan 0.000 0.425 37 G N 1.550 110.207 108.800 -0.239 0.000 2.630 37 G HA2 0.701 4.660 3.960 -0.001 0.000 0.296 37 G HA3 0.701 4.660 3.960 -0.001 0.000 0.296 37 G C -2.301 172.336 174.900 -0.439 0.000 1.285 37 G CA -0.628 44.417 45.100 -0.092 0.000 0.958 37 G HN 0.542 nan 8.290 nan 0.000 0.479 38 W N -0.366 120.844 121.300 -0.150 0.000 2.702 38 W HA 0.709 5.369 4.660 -0.001 0.000 0.331 38 W C -0.742 175.683 176.519 -0.157 0.000 1.049 38 W CA -0.480 56.786 57.345 -0.132 0.000 1.230 38 W CB 2.228 31.667 29.460 -0.035 0.000 1.408 38 W HN 0.221 nan 8.180 nan 0.000 0.492 39 I N 3.407 124.058 120.570 0.134 0.000 2.619 39 I HA 0.483 4.652 4.170 -0.001 0.000 0.292 39 I C -0.228 176.015 176.117 0.210 0.000 1.100 39 I CA -1.091 60.286 61.300 0.129 0.000 1.043 39 I CB 1.892 39.919 38.000 0.044 0.000 1.239 39 I HN 0.413 nan 8.210 nan 0.000 0.420 40 R N 4.087 124.623 120.500 0.060 0.000 2.892 40 R HA 0.831 5.170 4.340 -0.001 0.000 0.265 40 R C -1.146 175.140 176.300 -0.024 0.000 1.025 40 R CA -0.930 55.064 56.100 -0.177 0.000 0.982 40 R CB 1.992 31.853 30.300 -0.732 0.000 1.185 40 R HN 0.632 nan 8.270 nan 0.000 0.484 41 Q N 1.522 121.277 119.800 -0.075 0.000 2.374 41 Q HA 0.366 4.705 4.340 -0.001 0.000 0.250 41 Q C -2.655 173.330 176.000 -0.026 0.000 0.918 41 Q CA -2.075 53.748 55.803 0.034 0.000 0.778 41 Q CB 2.519 31.372 28.738 0.192 0.000 1.328 41 Q HN 0.473 nan 8.270 nan 0.000 0.445 42 P HA -0.014 nan 4.420 nan 0.000 0.269 42 P C -0.554 176.762 177.300 0.028 0.000 1.215 42 P CA -0.093 63.008 63.100 0.001 0.000 0.780 42 P CB 0.953 32.662 31.700 0.015 0.000 0.898 43 S N 1.674 117.396 115.700 0.037 0.000 2.575 43 S HA 0.259 4.728 4.470 -0.001 0.000 0.295 43 S C 1.501 176.131 174.600 0.050 0.000 1.267 43 S CA 0.964 59.193 58.200 0.048 0.000 1.074 43 S CB -1.493 61.743 63.200 0.060 0.000 0.829 43 S HN 0.890 nan 8.310 nan 0.000 0.497 44 G N 4.020 112.850 108.800 0.050 0.000 2.166 44 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.260 44 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.260 44 G C 0.112 175.037 174.900 0.042 0.000 0.986 44 G CA 0.995 46.123 45.100 0.046 0.000 0.683 44 G HN 0.732 nan 8.290 nan 0.000 0.527 45 K N -0.616 119.810 120.400 0.044 0.000 2.307 45 K HA 0.682 5.001 4.320 -0.001 0.000 0.239 45 K C 1.048 177.676 176.600 0.048 0.000 1.083 45 K CA -0.537 55.776 56.287 0.043 0.000 0.913 45 K CB 0.956 33.481 32.500 0.042 0.000 1.322 45 K HN 0.208 nan 8.250 nan 0.000 0.514 46 G N 0.213 109.044 108.800 0.052 0.000 2.532 46 G HA2 0.487 4.447 3.960 -0.001 0.000 0.291 46 G HA3 0.487 4.447 3.960 -0.001 0.000 0.291 46 G C -0.753 174.196 174.900 0.082 0.000 1.349 46 G CA -0.821 44.315 45.100 0.060 0.000 1.038 46 G HN 0.273 nan 8.290 nan 0.000 0.518 47 L N -0.095 121.190 121.223 0.104 0.000 2.309 47 L HA 0.478 4.817 4.340 -0.001 0.000 0.282 47 L C 0.048 177.020 176.870 0.170 0.000 1.036 47 L CA -0.387 54.544 54.840 0.152 0.000 0.806 47 L CB 1.777 43.946 42.059 0.184 0.000 1.220 47 L HN 0.547 nan 8.230 nan 0.000 0.429 48 E N 2.575 122.877 120.200 0.169 0.000 2.218 48 E HA 0.137 4.486 4.350 -0.001 0.000 0.263 48 E C -1.468 175.275 176.600 0.238 0.000 0.879 48 E CA -0.825 55.688 56.400 0.188 0.000 0.762 48 E CB 1.283 31.048 29.700 0.109 0.000 1.166 48 E HN 0.490 nan 8.360 nan 0.000 0.415 49 W N 6.718 128.100 121.300 0.137 0.000 2.253 49 W HA 0.174 4.834 4.660 -0.000 0.000 0.322 49 W C -0.558 176.055 176.519 0.157 0.000 1.342 49 W CA -0.054 57.381 57.345 0.150 0.000 1.218 49 W CB 0.556 30.144 29.460 0.213 0.000 1.205 49 W HN 0.665 nan 8.180 nan 0.000 0.551 50 L N 4.484 125.353 121.223 -0.589 0.000 2.433 50 L HA 0.533 4.872 4.340 -0.001 0.000 0.200 50 L C 0.869 177.145 176.870 -0.990 0.000 1.059 50 L CA 0.413 54.895 54.840 -0.597 0.000 0.835 50 L CB -0.547 41.423 42.059 -0.149 0.000 1.076 50 L HN 0.571 nan 8.230 nan 0.000 0.481 51 A N -0.967 121.342 122.820 -0.852 0.000 2.583 51 A HA 0.589 4.908 4.320 -0.001 0.000 0.292 51 A C -1.602 175.972 177.584 -0.016 0.000 1.045 51 A CA -0.619 51.122 52.037 -0.494 0.000 0.672 51 A CB 0.914 19.781 19.000 -0.222 0.000 1.283 51 A HN 0.326 nan 8.150 nan 0.000 0.419 52 H N -0.276 118.798 119.070 0.008 0.000 2.990 52 H HA 0.841 5.397 4.556 -0.001 0.000 0.336 52 H C -1.693 173.518 175.328 -0.195 0.000 1.306 52 H CA -0.739 55.290 56.048 -0.032 0.000 1.118 52 H CB 1.674 31.446 29.762 0.016 0.000 1.856 52 H HN 0.938 nan 8.280 nan 0.000 0.538 53 I N 0.665 121.157 120.570 -0.131 0.000 2.802 53 I HA 0.360 4.529 4.170 -0.001 0.000 0.298 53 I C -1.647 174.319 176.117 -0.253 0.000 1.176 53 I CA -0.730 60.480 61.300 -0.151 0.000 1.025 53 I CB 2.292 40.273 38.000 -0.032 0.000 1.243 53 I HN 0.585 nan 8.210 nan 0.000 0.424 54 W N 4.687 125.960 121.300 -0.045 0.000 2.671 54 W HA 0.338 4.998 4.660 -0.000 0.000 0.360 54 W C 0.501 176.964 176.519 -0.093 0.000 1.128 54 W CA -0.386 56.890 57.345 -0.115 0.000 1.184 54 W CB 0.513 29.713 29.460 -0.433 0.000 1.415 54 W HN 0.680 nan 8.180 nan 0.000 0.604 55 W N 0.932 122.355 121.300 0.205 0.000 2.341 55 W HA -0.258 4.401 4.660 -0.001 0.000 0.283 55 W C 1.257 177.827 176.519 0.085 0.000 1.215 55 W CA 1.823 59.229 57.345 0.102 0.000 1.211 55 W CB -0.698 28.787 29.460 0.041 0.000 1.131 55 W HN 0.277 nan 8.180 nan 0.000 0.552 56 D N -0.539 119.429 120.400 -0.720 0.000 2.328 56 D HA -0.054 4.585 4.640 -0.001 0.000 0.226 56 D C 0.592 176.773 176.300 -0.199 0.000 1.066 56 D CA 0.874 54.571 54.000 -0.505 0.000 0.861 56 D CB -0.782 39.561 40.800 -0.762 0.000 0.912 56 D HN 0.254 nan 8.370 nan 0.000 0.521 57 D N -1.221 119.124 120.400 -0.090 0.000 3.028 57 D HA -0.172 4.468 4.640 -0.001 0.000 0.207 57 D C -0.677 175.621 176.300 -0.004 0.000 1.100 57 D CA 0.472 54.468 54.000 -0.006 0.000 0.995 57 D CB -1.332 39.477 40.800 0.016 0.000 1.108 57 D HN 0.192 nan 8.370 nan 0.000 0.421 58 V N 0.758 120.660 119.914 -0.020 0.000 2.572 58 V HA 0.183 4.302 4.120 -0.001 0.000 0.291 58 V C 0.941 177.069 176.094 0.057 0.000 1.039 58 V CA 0.594 62.910 62.300 0.026 0.000 1.055 58 V CB 1.328 33.157 31.823 0.010 0.000 0.969 58 V HN 0.021 nan 8.190 nan 0.000 0.482 59 K N 5.210 125.594 120.400 -0.027 0.000 2.316 59 K HA 0.733 5.053 4.320 -0.001 0.000 0.251 59 K C -0.843 175.563 176.600 -0.322 0.000 0.934 59 K CA -1.003 55.152 56.287 -0.221 0.000 0.802 59 K CB 2.204 34.566 32.500 -0.230 0.000 1.171 59 K HN 0.423 nan 8.250 nan 0.000 0.426 60 R N 1.815 121.956 120.500 -0.599 0.000 2.744 60 R HA 0.467 4.806 4.340 -0.001 0.000 0.279 60 R C -1.295 174.690 176.300 -0.525 0.000 0.977 60 R CA -0.829 55.041 56.100 -0.383 0.000 0.906 60 R CB 1.368 31.554 30.300 -0.190 0.000 1.197 60 R HN 0.629 nan 8.270 nan 0.000 0.463 61 Y N -0.194 120.125 120.300 0.032 0.000 2.524 61 Y HA 0.283 4.832 4.550 -0.001 0.000 0.347 61 Y C 0.555 176.365 175.900 -0.149 0.000 1.005 61 Y CA -0.960 57.031 58.100 -0.182 0.000 1.025 61 Y CB 1.904 40.301 38.460 -0.105 0.000 1.275 61 Y HN 0.407 nan 8.280 nan 0.000 0.460 62 N N 4.317 122.833 118.700 -0.308 0.000 2.452 62 N HA 0.078 4.817 4.740 -0.001 0.000 0.266 62 N C -1.858 173.705 175.510 0.089 0.000 1.175 62 N CA -1.559 51.463 53.050 -0.046 0.000 0.945 62 N CB 1.285 39.667 38.487 -0.175 0.000 1.063 62 N HN 0.351 nan 8.380 nan 0.000 0.472 63 P HA -0.101 nan 4.420 nan 0.000 0.221 63 P C 0.681 178.023 177.300 0.070 0.000 1.145 63 P CA 0.847 64.014 63.100 0.112 0.000 0.795 63 P CB 0.121 31.899 31.700 0.130 0.000 0.775 64 A N -1.091 121.775 122.820 0.076 0.000 2.121 64 A HA -0.032 4.288 4.320 -0.001 0.000 0.218 64 A C 1.826 179.424 177.584 0.023 0.000 1.154 64 A CA 1.247 53.316 52.037 0.053 0.000 0.679 64 A CB -0.945 18.096 19.000 0.068 0.000 0.795 64 A HN 0.223 nan 8.150 nan 0.000 0.458 65 L N -2.319 118.907 121.223 0.004 0.000 3.217 65 L HA 0.236 4.575 4.340 -0.001 0.000 0.288 65 L C 1.610 178.439 176.870 -0.069 0.000 1.202 65 L CA 0.362 55.186 54.840 -0.028 0.000 1.027 65 L CB 0.123 42.162 42.059 -0.033 0.000 1.427 65 L HN 0.271 nan 8.230 nan 0.000 0.600 66 K N 1.181 121.545 120.400 -0.059 0.000 2.077 66 K HA -0.291 4.028 4.320 -0.001 0.000 0.213 66 K C 2.222 178.677 176.600 -0.242 0.000 1.051 66 K CA 2.291 58.495 56.287 -0.138 0.000 0.929 66 K CB -0.086 32.390 32.500 -0.041 0.000 0.715 66 K HN 0.434 nan 8.250 nan 0.000 0.451 67 S N 0.191 115.804 115.700 -0.145 0.000 2.400 67 S HA -0.158 4.311 4.470 -0.001 0.000 0.232 67 S C 1.780 176.284 174.600 -0.159 0.000 1.025 67 S CA 1.120 59.236 58.200 -0.140 0.000 0.993 67 S CB -0.315 62.836 63.200 -0.081 0.000 0.808 67 S HN 0.407 nan 8.310 nan 0.000 0.478 68 R N 0.194 120.606 120.500 -0.147 0.000 2.300 68 R HA 0.401 4.741 4.340 -0.001 0.000 0.199 68 R C -0.130 176.073 176.300 -0.161 0.000 0.920 68 R CA 0.016 56.038 56.100 -0.130 0.000 1.046 68 R CB -0.025 30.223 30.300 -0.087 0.000 0.984 68 R HN 0.396 nan 8.270 nan 0.000 0.493 69 L N 0.781 121.862 121.223 -0.237 0.000 2.322 69 L HA 0.388 4.728 4.340 -0.001 0.000 0.279 69 L C -0.283 176.417 176.870 -0.283 0.000 1.036 69 L CA -0.407 54.306 54.840 -0.211 0.000 0.807 69 L CB 2.083 44.074 42.059 -0.115 0.000 1.226 69 L HN -0.136 nan 8.230 nan 0.000 0.433 70 T N 3.444 117.958 114.554 -0.067 0.000 2.937 70 T HA 0.502 4.852 4.350 -0.001 0.000 0.297 70 T C -0.637 174.166 174.700 0.171 0.000 0.991 70 T CA -0.300 61.836 62.100 0.060 0.000 0.990 70 T CB 1.819 70.680 68.868 -0.012 0.000 0.991 70 T HN 0.372 nan 8.240 nan 0.000 0.440 71 I N 3.119 123.879 120.570 0.315 0.000 2.562 71 I HA 0.774 4.943 4.170 -0.001 0.000 0.301 71 I C -0.339 175.890 176.117 0.187 0.000 1.003 71 I CA -0.201 61.214 61.300 0.192 0.000 1.127 71 I CB 1.354 39.414 38.000 0.100 0.000 1.304 71 I HN 0.838 nan 8.210 nan 0.000 0.446 72 S N 5.676 121.514 115.700 0.230 0.000 2.596 72 S HA 0.590 5.060 4.470 -0.001 0.000 0.270 72 S C -1.420 173.351 174.600 0.285 0.000 1.155 72 S CA -1.025 57.321 58.200 0.243 0.000 0.827 72 S CB 1.933 65.283 63.200 0.249 0.000 1.130 72 S HN 0.705 nan 8.310 nan 0.000 0.467 73 K N 0.370 120.913 120.400 0.239 0.000 2.328 73 K HA 0.577 4.896 4.320 -0.001 0.000 0.246 73 K C -1.304 175.450 176.600 0.257 0.000 0.955 73 K CA -0.802 55.596 56.287 0.185 0.000 0.817 73 K CB 1.474 34.062 32.500 0.147 0.000 1.208 73 K HN 0.557 nan 8.250 nan 0.000 0.432 74 D N 1.124 121.645 120.400 0.203 0.000 2.339 74 D HA -0.001 4.639 4.640 -0.001 0.000 0.245 74 D C 0.749 177.131 176.300 0.136 0.000 1.115 74 D CA 0.028 54.187 54.000 0.264 0.000 0.917 74 D CB 1.612 42.497 40.800 0.141 0.000 1.192 74 D HN 0.689 nan 8.370 nan 0.000 0.428 75 T N -0.664 113.959 114.554 0.115 0.000 2.881 75 T HA -0.181 4.168 4.350 -0.001 0.000 0.270 75 T C 1.846 176.577 174.700 0.051 0.000 1.068 75 T CA 1.352 63.498 62.100 0.077 0.000 1.131 75 T CB -0.257 68.647 68.868 0.060 0.000 0.871 75 T HN 0.374 nan 8.240 nan 0.000 0.479 76 S N 1.276 116.993 115.700 0.029 0.000 2.447 76 S HA 0.233 4.703 4.470 -0.001 0.000 0.233 76 S C 2.162 176.747 174.600 -0.024 0.000 1.006 76 S CA 0.891 59.085 58.200 -0.009 0.000 0.957 76 S CB -1.003 62.170 63.200 -0.043 0.000 0.773 76 S HN 1.212 nan 8.310 nan 0.000 0.507 77 G N 0.597 109.390 108.800 -0.011 0.000 2.176 77 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.253 77 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.253 77 G C 0.858 175.695 174.900 -0.105 0.000 0.979 77 G CA 0.779 45.890 45.100 0.018 0.000 0.641 77 G HN 1.518 nan 8.290 nan 0.000 0.530 78 S N -1.157 114.331 115.700 -0.354 0.000 2.539 78 S HA 0.550 5.019 4.470 -0.001 0.000 0.221 78 S C 0.481 174.246 174.600 -1.393 0.000 0.987 78 S CA 0.460 58.136 58.200 -0.873 0.000 0.929 78 S CB 0.577 63.462 63.200 -0.526 0.000 0.832 78 S HN 0.627 nan 8.310 nan 0.000 0.492 79 Q N 0.271 119.567 119.800 -0.840 0.000 2.416 79 Q HA 0.697 5.036 4.340 -0.001 0.000 0.281 79 Q C -1.783 173.924 176.000 -0.488 0.000 1.067 79 Q CA -0.848 54.521 55.803 -0.722 0.000 0.809 79 Q CB 2.737 31.116 28.738 -0.597 0.000 1.418 79 Q HN 0.160 nan 8.270 nan 0.000 0.411 80 V N 1.530 121.205 119.914 -0.399 0.000 2.914 80 V HA 0.637 4.757 4.120 -0.001 0.000 0.314 80 V C -1.314 174.533 176.094 -0.412 0.000 1.084 80 V CA -0.657 61.476 62.300 -0.277 0.000 0.963 80 V CB 1.742 33.644 31.823 0.131 0.000 1.025 80 V HN 0.596 nan 8.190 nan 0.000 0.432 81 F N 3.201 123.326 119.950 0.291 0.000 2.563 81 F HA 0.797 5.323 4.527 -0.002 0.000 0.316 81 F C -0.539 175.284 175.800 0.039 0.000 1.076 81 F CA -0.864 57.235 58.000 0.166 0.000 0.921 81 F CB 1.948 40.981 39.000 0.055 0.000 1.209 81 F HN 0.275 nan 8.300 nan 0.000 0.462 82 L N 2.887 124.045 121.223 -0.107 0.000 2.410 82 L HA 0.559 4.898 4.340 -0.001 0.000 0.270 82 L C -1.315 175.379 176.870 -0.293 0.000 0.983 82 L CA -0.597 54.016 54.840 -0.378 0.000 0.822 82 L CB 1.773 43.147 42.059 -1.142 0.000 1.285 82 L HN 0.518 nan 8.230 nan 0.000 0.409 83 K N 6.223 126.515 120.400 -0.180 0.000 2.270 83 K HA 0.629 4.948 4.320 -0.001 0.000 0.255 83 K C -1.288 175.208 176.600 -0.173 0.000 0.936 83 K CA -0.613 55.572 56.287 -0.171 0.000 0.809 83 K CB 2.256 34.688 32.500 -0.112 0.000 1.131 83 K HN 0.538 nan 8.250 nan 0.000 0.427 84 I N 2.470 122.930 120.570 -0.184 0.000 2.411 84 I HA 0.265 4.434 4.170 -0.001 0.000 0.284 84 I C 0.027 176.073 176.117 -0.117 0.000 1.012 84 I CA -0.809 60.403 61.300 -0.146 0.000 1.119 84 I CB 1.739 39.649 38.000 -0.150 0.000 1.261 84 I HN 0.629 nan 8.210 nan 0.000 0.448 85 A N 3.730 126.490 122.820 -0.100 0.000 2.351 85 A HA 0.495 4.815 4.320 -0.001 0.000 0.257 85 A C 0.862 178.408 177.584 -0.064 0.000 1.087 85 A CA -0.097 51.891 52.037 -0.081 0.000 0.798 85 A CB 0.261 19.214 19.000 -0.079 0.000 1.033 85 A HN 0.851 nan 8.150 nan 0.000 0.488 86 S N -1.134 114.534 115.700 -0.053 0.000 3.524 86 S HA -0.135 4.334 4.470 -0.001 0.000 0.377 86 S C 0.266 174.848 174.600 -0.030 0.000 0.949 86 S CA 0.445 58.622 58.200 -0.038 0.000 1.264 86 S CB -2.753 60.426 63.200 -0.034 0.000 0.918 86 S HN 2.098 nan 8.310 nan 0.000 0.517 87 V N -0.591 119.303 119.914 -0.033 0.000 2.872 87 V HA 0.597 4.716 4.120 -0.001 0.000 0.307 87 V C 0.405 176.498 176.094 -0.002 0.000 1.072 87 V CA 0.032 62.320 62.300 -0.019 0.000 1.148 87 V CB 0.956 32.762 31.823 -0.028 0.000 0.954 87 V HN 0.589 nan 8.190 nan 0.000 0.490 88 D N 1.031 121.438 120.400 0.013 0.000 2.714 88 D HA 0.407 5.047 4.640 -0.001 0.000 0.278 88 D C 1.058 177.380 176.300 0.037 0.000 1.102 88 D CA 0.027 54.040 54.000 0.021 0.000 1.108 88 D CB 0.853 41.664 40.800 0.018 0.000 1.444 88 D HN 0.612 nan 8.370 nan 0.000 0.568 89 T N -2.804 111.775 114.554 0.041 0.000 2.849 89 T HA -0.200 4.149 4.350 -0.001 0.000 0.270 89 T C 1.717 176.451 174.700 0.058 0.000 1.066 89 T CA 1.552 63.684 62.100 0.054 0.000 1.130 89 T CB -0.834 68.065 68.868 0.052 0.000 0.864 89 T HN 0.472 nan 8.240 nan 0.000 0.481 90 S N 1.341 117.071 115.700 0.049 0.000 2.547 90 S HA -0.074 4.395 4.470 -0.001 0.000 0.235 90 S C 1.273 175.912 174.600 0.064 0.000 0.980 90 S CA 0.640 58.870 58.200 0.050 0.000 0.941 90 S CB -0.396 62.828 63.200 0.040 0.000 0.763 90 S HN 0.500 nan 8.310 nan 0.000 0.532 91 D N 1.319 121.768 120.400 0.082 0.000 2.339 91 D HA 0.088 4.727 4.640 -0.001 0.000 0.217 91 D C -0.092 176.325 176.300 0.196 0.000 1.050 91 D CA 0.316 54.401 54.000 0.141 0.000 0.856 91 D CB 0.038 40.905 40.800 0.112 0.000 0.922 91 D HN 0.328 nan 8.370 nan 0.000 0.518 92 T N 1.570 116.202 114.554 0.130 0.000 2.817 92 T HA 0.450 4.799 4.350 -0.001 0.000 0.295 92 T C 0.192 174.956 174.700 0.108 0.000 0.958 92 T CA 0.039 62.218 62.100 0.132 0.000 1.157 92 T CB 0.857 69.784 68.868 0.099 0.000 0.898 92 T HN 0.148 nan 8.240 nan 0.000 0.536 93 A N 3.236 126.139 122.820 0.137 0.000 2.544 93 A HA 0.607 4.926 4.320 -0.001 0.000 0.291 93 A C -0.280 177.301 177.584 -0.006 0.000 1.055 93 A CA -1.007 51.014 52.037 -0.026 0.000 0.651 93 A CB 0.738 19.572 19.000 -0.276 0.000 1.296 93 A HN 0.534 nan 8.150 nan 0.000 0.431 94 T N 1.519 115.997 114.554 -0.125 0.000 2.794 94 T HA 0.511 4.860 4.350 -0.001 0.000 0.296 94 T C -1.143 173.332 174.700 -0.375 0.000 0.949 94 T CA 0.893 62.879 62.100 -0.191 0.000 1.101 94 T CB -0.295 68.411 68.868 -0.269 0.000 0.905 94 T HN 0.315 nan 8.240 nan 0.000 0.516 95 Y N 2.534 122.709 120.300 -0.207 0.000 2.331 95 Y HA 0.436 4.985 4.550 -0.002 0.000 0.338 95 Y C -0.268 175.600 175.900 -0.053 0.000 0.976 95 Y CA -0.925 57.160 58.100 -0.025 0.000 1.137 95 Y CB 0.790 39.308 38.460 0.096 0.000 1.172 95 Y HN 0.596 nan 8.280 nan 0.000 0.478 96 Y N 1.830 122.329 120.300 0.332 0.000 2.409 96 Y HA 0.504 5.054 4.550 -0.000 0.000 0.339 96 Y C 0.110 175.943 175.900 -0.111 0.000 1.033 96 Y CA -0.891 57.317 58.100 0.180 0.000 1.094 96 Y CB 1.498 40.116 38.460 0.263 0.000 1.210 96 Y HN 0.624 nan 8.280 nan 0.000 0.456 97 c N 2.703 121.130 118.600 -0.288 0.000 2.397 97 c HA 0.970 5.540 4.570 -0.001 0.000 0.343 97 c C -0.449 173.311 174.090 -0.551 0.000 1.188 97 c CA -0.249 55.576 56.329 -0.840 0.000 1.992 97 c CB -0.274 41.487 42.510 -1.249 0.000 2.358 97 c HN 0.934 nan 8.230 nan 0.000 0.518 98 A N 4.699 127.092 122.820 -0.712 0.000 2.547 98 A HA 0.715 5.034 4.320 -0.001 0.000 0.297 98 A C -0.923 176.395 177.584 -0.443 0.000 1.056 98 A CA -0.615 51.007 52.037 -0.692 0.000 0.688 98 A CB 0.934 19.012 19.000 -1.536 0.000 1.282 98 A HN 1.025 nan 8.150 nan 0.000 0.400 99 R N 1.687 121.987 120.500 -0.333 0.000 2.438 99 R HA 0.479 4.818 4.340 -0.001 0.000 0.287 99 R C -0.470 175.644 176.300 -0.311 0.000 1.077 99 R CA -0.433 55.427 56.100 -0.399 0.000 1.034 99 R CB 0.305 30.201 30.300 -0.674 0.000 0.993 99 R HN 0.715 nan 8.270 nan 0.000 0.459 100 M N 2.412 121.745 119.600 -0.445 0.000 2.245 100 M HA 0.131 4.610 4.480 -0.001 0.000 0.344 100 M C 1.339 177.281 176.300 -0.596 0.000 1.170 100 M CA 0.608 55.520 55.300 -0.647 0.000 1.135 100 M CB 1.314 33.437 32.600 -0.797 0.000 1.574 100 M HN 0.788 nan 8.290 nan 0.000 0.452 101 G N 0.422 108.688 108.800 -0.890 0.000 3.181 101 G HA2 0.247 4.206 3.960 -0.001 0.000 0.219 101 G HA3 0.247 4.206 3.960 -0.001 0.000 0.219 101 G C 0.206 174.662 174.900 -0.741 0.000 1.182 101 G CA 0.130 44.806 45.100 -0.706 0.000 0.791 101 G HN 0.649 nan 8.290 nan 0.000 0.537 102 S N -0.773 114.475 115.700 -0.755 0.000 2.607 102 S HA 0.361 4.830 4.470 -0.001 0.000 0.273 102 S C 0.303 174.800 174.600 -0.170 0.000 1.148 102 S CA -0.017 57.895 58.200 -0.480 0.000 0.833 102 S CB 1.524 64.254 63.200 -0.782 0.000 1.130 102 S HN 0.101 nan 8.310 nan 0.000 0.470 103 D N 0.584 120.919 120.400 -0.108 0.000 2.323 103 D HA 0.029 4.669 4.640 -0.001 0.000 0.209 103 D C 0.676 176.550 176.300 -0.711 0.000 0.973 103 D CA 1.060 54.925 54.000 -0.226 0.000 0.874 103 D CB -0.172 40.515 40.800 -0.188 0.000 0.930 103 D HN 0.582 nan 8.370 nan 0.000 0.521 104 Y N -0.222 119.862 120.300 -0.361 0.000 2.476 104 Y HA 0.242 4.791 4.550 -0.001 0.000 0.261 104 Y C 0.088 175.870 175.900 -0.197 0.000 1.077 104 Y CA -0.636 57.190 58.100 -0.457 0.000 1.240 104 Y CB 1.103 39.405 38.460 -0.264 0.000 1.317 104 Y HN -0.198 nan 8.280 nan 0.000 0.540 105 D N 0.173 120.549 120.400 -0.039 0.000 2.252 105 D HA 0.400 5.039 4.640 -0.001 0.000 0.245 105 D C -0.551 175.578 176.300 -0.285 0.000 1.009 105 D CA -0.266 53.694 54.000 -0.067 0.000 0.870 105 D CB 3.125 43.968 40.800 0.071 0.000 1.251 105 D HN -0.285 nan 8.370 nan 0.000 0.460 106 V N 2.741 122.494 119.914 -0.268 0.000 2.219 106 V HA 0.205 4.324 4.120 -0.001 0.000 0.267 106 V C -0.526 175.196 176.094 -0.619 0.000 1.266 106 V CA -0.653 61.277 62.300 -0.618 0.000 1.270 106 V CB -1.072 30.380 31.823 -0.620 0.000 1.356 106 V HN 0.414 nan 8.190 nan 0.000 0.490 107 W N 1.641 122.553 121.300 -0.645 0.000 2.671 107 W HA 0.858 5.517 4.660 -0.001 0.000 0.360 107 W C -1.350 174.690 176.519 -0.798 0.000 1.128 107 W CA -2.004 54.983 57.345 -0.596 0.000 1.184 107 W CB 0.855 30.181 29.460 -0.223 0.000 1.415 107 W HN 0.093 nan 8.180 nan 0.000 0.604 108 F N 2.509 122.541 119.950 0.138 0.000 2.445 108 F HA 0.179 4.706 4.527 -0.000 0.000 0.348 108 F C 1.042 176.897 175.800 0.091 0.000 1.125 108 F CA -0.833 57.080 58.000 -0.145 0.000 0.983 108 F CB 1.372 40.062 39.000 -0.517 0.000 1.198 108 F HN 0.531 nan 8.300 nan 0.000 0.436 109 D N 1.397 121.839 120.400 0.069 0.000 2.271 109 D HA -0.056 4.584 4.640 -0.001 0.000 0.206 109 D C -0.284 175.892 176.300 -0.206 0.000 0.967 109 D CA 0.891 54.890 54.000 -0.002 0.000 0.867 109 D CB -0.024 40.723 40.800 -0.089 0.000 0.960 109 D HN 0.361 nan 8.370 nan 0.000 0.509 110 Y N -1.333 119.023 120.300 0.093 0.000 2.457 110 Y HA 0.443 4.992 4.550 -0.001 0.000 0.343 110 Y C -1.054 174.910 175.900 0.106 0.000 0.994 110 Y CA -1.246 56.938 58.100 0.140 0.000 1.031 110 Y CB 1.597 40.058 38.460 0.002 0.000 1.246 110 Y HN -0.236 nan 8.280 nan 0.000 0.449 111 W N 1.198 122.551 121.300 0.087 0.000 2.761 111 W HA 0.701 5.360 4.660 -0.002 0.000 0.340 111 W C 0.337 176.889 176.519 0.055 0.000 1.072 111 W CA -1.337 56.008 57.345 -0.000 0.000 1.215 111 W CB 1.454 30.845 29.460 -0.115 0.000 1.420 111 W HN 0.682 nan 8.180 nan 0.000 0.519 112 G N 0.645 109.611 108.800 0.277 0.000 2.653 112 G HA2 0.220 4.180 3.960 -0.001 0.000 0.265 112 G HA3 0.220 4.180 3.960 -0.001 0.000 0.265 112 G C 0.650 175.756 174.900 0.343 0.000 1.237 112 G CA -0.371 44.879 45.100 0.250 0.000 0.946 112 G HN 0.649 nan 8.290 nan 0.000 0.522 113 Q N -0.839 119.116 119.800 0.259 0.000 2.369 113 Q HA 0.298 4.637 4.340 -0.001 0.000 0.206 113 Q C 0.999 177.188 176.000 0.315 0.000 0.963 113 Q CA 0.634 56.592 55.803 0.258 0.000 0.894 113 Q CB -0.145 28.684 28.738 0.151 0.000 0.965 113 Q HN 1.510 nan 8.270 nan 0.000 0.475 114 G N 0.002 108.953 108.800 0.251 0.000 2.692 114 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.686 114 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.686 114 G C -0.967 173.925 174.900 -0.013 0.000 1.243 114 G CA -0.232 44.827 45.100 -0.068 0.000 0.782 114 G HN 0.236 nan 8.290 nan 0.000 0.625 115 T N 0.534 115.083 114.554 -0.009 0.000 2.848 115 T HA 0.568 4.917 4.350 -0.001 0.000 0.285 115 T C -0.218 174.504 174.700 0.037 0.000 0.995 115 T CA -0.449 61.671 62.100 0.033 0.000 0.970 115 T CB 1.151 70.066 68.868 0.077 0.000 0.976 115 T HN 1.457 nan 8.240 nan 0.000 0.441 116 L N 6.460 127.687 121.223 0.007 0.000 2.331 116 L HA 0.678 5.017 4.340 -0.001 0.000 0.278 116 L C -0.933 175.955 176.870 0.029 0.000 1.106 116 L CA 0.104 54.955 54.840 0.018 0.000 0.824 116 L CB 0.903 42.947 42.059 -0.025 0.000 1.142 116 L HN 0.454 nan 8.230 nan 0.000 0.443 117 V N 4.309 124.277 119.914 0.090 0.000 2.444 117 V HA 0.464 4.583 4.120 -0.001 0.000 0.294 117 V C -0.070 176.055 176.094 0.052 0.000 1.022 117 V CA -0.538 61.783 62.300 0.035 0.000 0.850 117 V CB 1.769 33.575 31.823 -0.028 0.000 0.992 117 V HN 0.848 nan 8.190 nan 0.000 0.426 118 T N 4.442 118.999 114.554 0.005 0.000 2.758 118 T HA 0.459 4.808 4.350 -0.001 0.000 0.285 118 T C -0.209 174.520 174.700 0.048 0.000 0.981 118 T CA -0.315 61.800 62.100 0.025 0.000 0.965 118 T CB 1.458 70.299 68.868 -0.046 0.000 0.927 118 T HN 0.335 nan 8.240 nan 0.000 0.448 119 V N 3.766 123.725 119.914 0.075 0.000 2.368 119 V HA 0.663 4.783 4.120 -0.001 0.000 0.266 119 V C 0.229 176.389 176.094 0.110 0.000 1.045 119 V CA -0.184 62.158 62.300 0.071 0.000 0.899 119 V CB 0.872 32.729 31.823 0.056 0.000 1.006 119 V HN 0.928 nan 8.190 nan 0.000 0.470 120 S N 3.436 119.210 115.700 0.125 0.000 2.542 120 S HA 0.640 5.109 4.470 -0.001 0.000 0.276 120 S C 0.396 175.075 174.600 0.131 0.000 1.148 120 S CA 0.231 58.532 58.200 0.169 0.000 0.886 120 S CB 1.949 65.361 63.200 0.353 0.000 1.109 120 S HN 0.873 nan 8.310 nan 0.000 0.458 121 A N 2.492 125.363 122.820 0.084 0.000 2.238 121 A HA 0.697 5.016 4.320 -0.001 0.000 0.210 121 A C 1.128 178.737 177.584 0.041 0.000 1.179 121 A CA 0.680 52.749 52.037 0.052 0.000 0.827 121 A CB -0.630 18.384 19.000 0.023 0.000 0.856 121 A HN 1.369 nan 8.150 nan 0.000 0.488 122 A N 0.479 123.317 122.820 0.030 0.000 2.466 122 A HA 0.482 4.801 4.320 -0.001 0.000 0.238 122 A C 0.664 178.278 177.584 0.049 0.000 1.074 122 A CA 0.004 51.996 52.037 -0.075 0.000 0.774 122 A CB -0.030 18.724 19.000 -0.410 0.000 1.015 122 A HN 0.406 nan 8.150 nan 0.000 0.498 123 S N 0.699 116.403 115.700 0.007 0.000 2.580 123 S HA 0.307 4.776 4.470 -0.001 0.000 0.274 123 S C 0.458 175.195 174.600 0.229 0.000 1.329 123 S CA -0.319 57.937 58.200 0.094 0.000 1.036 123 S CB 0.648 63.876 63.200 0.047 0.000 0.919 123 S HN 0.733 nan 8.310 nan 0.000 0.515 124 T N 3.510 118.212 114.554 0.247 0.000 2.870 124 T HA 0.222 4.571 4.350 -0.001 0.000 0.300 124 T C 0.098 174.952 174.700 0.255 0.000 0.989 124 T CA 0.130 62.413 62.100 0.305 0.000 1.139 124 T CB 0.080 69.070 68.868 0.204 0.000 0.920 124 T HN 0.454 nan 8.240 nan 0.000 0.537 125 K N 1.966 122.556 120.400 0.317 0.000 2.482 125 K HA 0.552 4.872 4.320 -0.001 0.000 0.251 125 K C 0.026 176.743 176.600 0.194 0.000 0.936 125 K CA -0.707 55.708 56.287 0.213 0.000 0.791 125 K CB 1.608 34.204 32.500 0.159 0.000 1.213 125 K HN 0.745 nan 8.250 nan 0.000 0.428 126 G N 3.614 112.499 108.800 0.142 0.000 2.507 126 G HA2 0.390 4.349 3.960 -0.001 0.000 0.271 126 G HA3 0.390 4.349 3.960 -0.001 0.000 0.271 126 G C -2.478 172.409 174.900 -0.021 0.000 1.189 126 G CA -1.067 44.069 45.100 0.059 0.000 0.859 126 G HN 0.418 nan 8.290 nan 0.000 0.542 127 P HA 0.262 nan 4.420 nan 0.000 0.279 127 P C -0.310 176.915 177.300 -0.125 0.000 1.252 127 P CA -0.418 62.644 63.100 -0.063 0.000 0.811 127 P CB 1.473 33.088 31.700 -0.142 0.000 1.035 128 S N 0.097 115.687 115.700 -0.184 0.000 2.562 128 S HA 0.338 4.807 4.470 -0.001 0.000 0.275 128 S C 0.011 174.240 174.600 -0.619 0.000 1.281 128 S CA -0.527 57.409 58.200 -0.441 0.000 1.045 128 S CB 0.495 63.336 63.200 -0.599 0.000 0.962 128 S HN 0.212 nan 8.310 nan 0.000 0.503 129 V N 4.073 123.608 119.914 -0.632 0.000 2.378 129 V HA 0.469 4.588 4.120 -0.001 0.000 0.288 129 V C -0.915 174.912 176.094 -0.445 0.000 1.016 129 V CA -0.496 61.536 62.300 -0.446 0.000 0.840 129 V CB 0.253 31.939 31.823 -0.230 0.000 0.994 129 V HN 0.776 nan 8.190 nan 0.000 0.431 130 F N 6.155 126.127 119.950 0.036 0.000 2.495 130 F HA 0.587 5.110 4.527 -0.007 0.000 0.327 130 F C -2.054 173.784 175.800 0.063 0.000 1.103 130 F CA -2.686 55.341 58.000 0.045 0.000 0.949 130 F CB 2.469 41.497 39.000 0.048 0.000 1.142 130 F HN 0.298 nan 8.300 nan 0.000 0.457 131 P HA 0.164 nan 4.420 nan 0.000 0.275 131 P C -0.954 176.460 177.300 0.190 0.000 1.227 131 P CA -0.151 63.070 63.100 0.203 0.000 0.781 131 P CB 1.355 33.156 31.700 0.168 0.000 0.906 132 L N 2.308 123.645 121.223 0.191 0.000 2.321 132 L HA 0.451 4.790 4.340 -0.001 0.000 0.272 132 L C 0.782 177.724 176.870 0.120 0.000 1.050 132 L CA -0.824 54.105 54.840 0.148 0.000 0.893 132 L CB 0.778 42.932 42.059 0.158 0.000 1.272 132 L HN 0.367 nan 8.230 nan 0.000 0.435 133 A N 5.550 128.427 122.820 0.095 0.000 2.401 133 A HA 0.613 4.933 4.320 -0.001 0.000 0.259 133 A C -2.175 175.440 177.584 0.052 0.000 1.103 133 A CA -1.076 51.009 52.037 0.081 0.000 0.789 133 A CB -0.118 18.927 19.000 0.074 0.000 1.035 133 A HN 0.369 nan 8.150 nan 0.000 0.491 134 P HA 0.342 nan 4.420 nan 0.000 0.275 134 P C -0.270 177.046 177.300 0.027 0.000 1.228 134 P CA 0.033 63.142 63.100 0.015 0.000 0.786 134 P CB 1.339 33.032 31.700 -0.011 0.000 0.927 135 S N -0.565 115.149 115.700 0.024 0.000 2.727 135 S HA 0.265 4.734 4.470 -0.001 0.000 0.278 135 S C 1.182 175.803 174.600 0.034 0.000 1.186 135 S CA 0.121 58.339 58.200 0.031 0.000 0.836 135 S CB 0.330 63.550 63.200 0.033 0.000 1.186 135 S HN 0.393 nan 8.310 nan 0.000 0.499 136 S N 0.856 116.586 115.700 0.050 0.000 2.420 136 S HA -0.133 4.336 4.470 -0.001 0.000 0.237 136 S C 1.308 175.936 174.600 0.047 0.000 1.023 136 S CA 0.984 59.220 58.200 0.060 0.000 0.991 136 S CB -0.667 62.594 63.200 0.103 0.000 0.792 136 S HN 0.628 nan 8.310 nan 0.000 0.488 137 K N 1.721 122.149 120.400 0.046 0.000 2.432 137 K HA 0.126 4.445 4.320 -0.001 0.000 0.196 137 K C 1.687 178.298 176.600 0.019 0.000 1.038 137 K CA 0.982 57.288 56.287 0.032 0.000 0.986 137 K CB -0.253 32.267 32.500 0.035 0.000 0.782 137 K HN 0.703 nan 8.250 nan 0.000 0.485 138 S N -0.756 114.954 115.700 0.016 0.000 2.663 138 S HA 0.160 4.630 4.470 -0.001 0.000 0.243 138 S C 0.186 174.785 174.600 -0.002 0.000 1.009 138 S CA -0.660 57.543 58.200 0.005 0.000 0.988 138 S CB 0.353 63.554 63.200 0.002 0.000 0.896 138 S HN -0.104 nan 8.310 nan 0.000 0.502 139 T N 2.231 116.789 114.554 0.006 0.000 2.792 139 T HA 0.660 5.009 4.350 -0.001 0.000 0.280 139 T C -0.824 173.880 174.700 0.006 0.000 0.990 139 T CA -0.410 61.693 62.100 0.004 0.000 0.960 139 T CB 1.654 70.530 68.868 0.013 0.000 0.939 139 T HN 0.193 nan 8.240 nan 0.000 0.439 140 S N 1.389 117.090 115.700 0.002 0.000 2.614 140 S HA 0.609 5.079 4.470 -0.001 0.000 0.288 140 S C 0.791 175.393 174.600 0.003 0.000 1.137 140 S CA -0.513 57.689 58.200 0.003 0.000 0.992 140 S CB 1.622 64.823 63.200 0.000 0.000 1.026 140 S HN 1.221 nan 8.310 nan 0.000 0.486 141 G N 1.547 110.350 108.800 0.006 0.000 2.395 141 G HA2 0.029 3.989 3.960 -0.001 0.000 0.300 141 G HA3 0.029 3.989 3.960 -0.001 0.000 0.300 141 G C 1.155 176.059 174.900 0.006 0.000 0.998 141 G CA 0.703 45.807 45.100 0.006 0.000 1.046 141 G HN 2.050 nan 8.290 nan 0.000 0.513 142 G N -2.166 106.639 108.800 0.007 0.000 2.205 142 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.261 142 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.261 142 G C 0.457 175.358 174.900 0.003 0.000 0.980 142 G CA 0.944 46.048 45.100 0.008 0.000 0.632 142 G HN 1.685 nan 8.290 nan 0.000 0.533 143 T N 1.064 115.617 114.554 -0.003 0.000 2.795 143 T HA 0.722 5.071 4.350 -0.001 0.000 0.282 143 T C 0.179 174.865 174.700 -0.023 0.000 0.980 143 T CA 0.489 62.580 62.100 -0.014 0.000 1.012 143 T CB 1.811 70.671 68.868 -0.014 0.000 0.936 143 T HN 1.336 nan 8.240 nan 0.000 0.457 144 A N 2.262 125.056 122.820 -0.043 0.000 2.342 144 A HA 0.846 5.165 4.320 -0.001 0.000 0.323 144 A C -0.006 177.520 177.584 -0.097 0.000 1.125 144 A CA -0.864 51.141 52.037 -0.055 0.000 0.785 144 A CB 0.832 19.802 19.000 -0.050 0.000 1.221 144 A HN 1.008 nan 8.150 nan 0.000 0.463 145 A N 1.746 124.521 122.820 -0.075 0.000 2.310 145 A HA 0.764 5.084 4.320 -0.001 0.000 0.299 145 A C -0.346 177.176 177.584 -0.104 0.000 1.147 145 A CA -0.303 51.678 52.037 -0.093 0.000 0.818 145 A CB 0.144 19.122 19.000 -0.036 0.000 1.096 145 A HN 1.924 nan 8.150 nan 0.000 0.495 146 L N -0.522 120.602 121.223 -0.165 0.000 2.479 146 L HA 1.072 5.411 4.340 -0.001 0.000 0.255 146 L C -0.062 176.766 176.870 -0.070 0.000 1.026 146 L CA -0.076 54.697 54.840 -0.113 0.000 0.842 146 L CB 1.601 43.552 42.059 -0.181 0.000 1.444 146 L HN 1.195 nan 8.230 nan 0.000 0.409 147 G N -1.119 107.775 108.800 0.157 0.000 2.554 147 G HA2 0.593 4.552 3.960 -0.001 0.000 0.306 147 G HA3 0.593 4.552 3.960 -0.001 0.000 0.306 147 G C -2.004 173.195 174.900 0.499 0.000 1.320 147 G CA -0.453 44.892 45.100 0.408 0.000 0.800 147 G HN 0.818 nan 8.290 nan 0.000 0.481 148 c N -0.511 118.355 118.600 0.443 0.000 2.547 148 c HA 0.714 5.283 4.570 -0.001 0.000 0.313 148 c C -0.490 173.723 174.090 0.205 0.000 1.191 148 c CA -0.581 55.886 56.329 0.230 0.000 1.474 148 c CB 0.881 43.413 42.510 0.036 0.000 2.081 148 c HN 0.783 nan 8.230 nan 0.000 0.476 149 L N 4.109 125.447 121.223 0.192 0.000 2.272 149 L HA 0.676 5.016 4.340 -0.001 0.000 0.289 149 L C -0.585 176.355 176.870 0.116 0.000 1.032 149 L CA 0.216 55.175 54.840 0.198 0.000 0.810 149 L CB 1.046 43.270 42.059 0.276 0.000 1.205 149 L HN 0.520 nan 8.230 nan 0.000 0.422 150 V N 5.910 125.889 119.914 0.110 0.000 2.294 150 V HA 0.435 4.554 4.120 -0.001 0.000 0.272 150 V C 0.072 176.272 176.094 0.176 0.000 1.027 150 V CA -0.607 61.722 62.300 0.048 0.000 0.823 150 V CB 0.712 32.536 31.823 0.002 0.000 1.030 150 V HN 0.741 nan 8.190 nan 0.000 0.457 151 K N 2.873 123.339 120.400 0.110 0.000 2.259 151 K HA 0.475 4.794 4.320 -0.001 0.000 0.252 151 K C -0.838 175.864 176.600 0.170 0.000 0.936 151 K CA -0.561 55.832 56.287 0.177 0.000 0.810 151 K CB 1.088 33.720 32.500 0.220 0.000 1.143 151 K HN 0.620 nan 8.250 nan 0.000 0.427 152 D N 2.321 122.801 120.400 0.134 0.000 2.990 152 D HA -0.214 4.425 4.640 -0.001 0.000 0.245 152 D C -1.322 175.048 176.300 0.117 0.000 1.120 152 D CA 1.231 55.273 54.000 0.070 0.000 0.838 152 D CB -1.257 39.587 40.800 0.073 0.000 1.000 152 D HN 0.493 nan 8.370 nan 0.000 0.420 153 Y N -1.351 118.978 120.300 0.049 0.000 2.605 153 Y HA 0.832 5.380 4.550 -0.003 0.000 0.343 153 Y C -1.084 174.960 175.900 0.241 0.000 1.036 153 Y CA -1.763 56.322 58.100 -0.024 0.000 1.065 153 Y CB 1.622 39.863 38.460 -0.364 0.000 1.288 153 Y HN 0.000 nan 8.280 nan 0.000 0.481 154 F N 2.823 122.897 119.950 0.206 0.000 2.672 154 F HA 0.634 5.165 4.527 0.006 0.000 0.311 154 F C -3.000 173.046 175.800 0.409 0.000 1.113 154 F CA -1.951 56.232 58.000 0.304 0.000 0.996 154 F CB 2.384 41.487 39.000 0.171 0.000 1.286 154 F HN 0.456 nan 8.300 nan 0.000 0.441 155 P HA 0.251 nan 4.420 nan 0.000 0.297 155 P C -1.017 176.216 177.300 -0.111 0.000 1.307 155 P CA -0.222 62.377 63.100 -0.836 0.000 0.773 155 P CB 1.072 32.298 31.700 -0.791 0.000 1.265 156 E N 0.216 120.201 120.200 -0.358 0.000 2.409 156 E HA 0.184 4.533 4.350 -0.001 0.000 0.257 156 E C -1.777 174.766 176.600 -0.095 0.000 1.150 156 E CA -1.184 55.096 56.400 -0.199 0.000 0.942 156 E CB -0.368 29.079 29.700 -0.421 0.000 0.979 156 E HN 0.454 nan 8.360 nan 0.000 0.447 157 P HA 0.203 nan 4.420 nan 0.000 0.288 157 P C -1.055 176.242 177.300 -0.005 0.000 1.297 157 P CA -0.561 62.527 63.100 -0.020 0.000 0.864 157 P CB 1.123 32.796 31.700 -0.044 0.000 1.237 158 V N -3.018 116.834 119.914 -0.103 0.000 2.881 158 V HA 0.867 4.987 4.120 -0.001 0.000 0.316 158 V C -0.127 175.902 176.094 -0.108 0.000 1.070 158 V CA -0.673 61.518 62.300 -0.182 0.000 0.976 158 V CB 1.082 32.636 31.823 -0.447 0.000 1.038 158 V HN 0.769 nan 8.190 nan 0.000 0.446 159 T N 0.087 114.579 114.554 -0.102 0.000 2.885 159 T HA 0.830 5.180 4.350 -0.001 0.000 0.285 159 T C -0.663 173.978 174.700 -0.099 0.000 1.019 159 T CA -0.713 61.342 62.100 -0.075 0.000 1.010 159 T CB 1.568 70.401 68.868 -0.059 0.000 1.022 159 T HN 0.958 nan 8.240 nan 0.000 0.466 160 V N 2.541 122.406 119.914 -0.082 0.000 2.577 160 V HA 0.749 4.869 4.120 -0.001 0.000 0.303 160 V C 0.041 176.067 176.094 -0.112 0.000 1.042 160 V CA -0.804 61.413 62.300 -0.138 0.000 0.872 160 V CB 1.611 33.361 31.823 -0.121 0.000 0.998 160 V HN 1.290 nan 8.190 nan 0.000 0.423 161 S N 2.468 118.057 115.700 -0.186 0.000 2.709 161 S HA 0.844 5.313 4.470 -0.001 0.000 0.302 161 S C -1.671 172.777 174.600 -0.255 0.000 1.127 161 S CA -0.812 57.334 58.200 -0.089 0.000 0.905 161 S CB 1.966 65.152 63.200 -0.023 0.000 1.151 161 S HN 0.537 nan 8.310 nan 0.000 0.510 162 W N 0.721 122.036 121.300 0.026 0.000 2.656 162 W HA 0.536 5.196 4.660 -0.000 0.000 0.327 162 W C -0.238 176.313 176.519 0.053 0.000 1.041 162 W CA -0.275 57.102 57.345 0.054 0.000 1.229 162 W CB 0.922 30.426 29.460 0.073 0.000 1.397 162 W HN 0.821 nan 8.180 nan 0.000 0.479 163 N N 1.960 120.814 118.700 0.256 0.000 2.727 163 N HA -0.245 4.494 4.740 -0.001 0.000 0.249 163 N C 0.306 175.868 175.510 0.088 0.000 1.048 163 N CA 1.684 54.826 53.050 0.153 0.000 0.714 163 N CB -1.651 36.935 38.487 0.165 0.000 0.959 163 N HN 0.546 nan 8.380 nan 0.000 0.544 164 S N -3.198 112.532 115.700 0.050 0.000 3.380 164 S HA -0.175 4.294 4.470 -0.001 0.000 0.300 164 S C 1.304 175.926 174.600 0.036 0.000 1.255 164 S CA 1.894 60.108 58.200 0.023 0.000 0.963 164 S CB -1.460 61.748 63.200 0.013 0.000 1.106 164 S HN 1.700 nan 8.310 nan 0.000 0.629 165 G N -0.689 108.151 108.800 0.067 0.000 2.184 165 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.206 165 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.206 165 G C 0.820 175.764 174.900 0.073 0.000 0.995 165 G CA 0.888 46.029 45.100 0.068 0.000 0.651 165 G HN 1.564 nan 8.290 nan 0.000 0.511 166 A N -0.789 122.079 122.820 0.080 0.000 1.969 166 A HA 0.501 4.821 4.320 -0.001 0.000 0.218 166 A C 1.233 178.869 177.584 0.087 0.000 1.169 166 A CA 1.762 53.840 52.037 0.069 0.000 0.635 166 A CB -0.003 19.032 19.000 0.058 0.000 0.810 166 A HN 1.300 nan 8.150 nan 0.000 0.445 167 L N 0.714 122.020 121.223 0.138 0.000 2.280 167 L HA 0.497 4.836 4.340 -0.001 0.000 0.287 167 L C 0.842 177.781 176.870 0.116 0.000 1.023 167 L CA 0.940 55.862 54.840 0.136 0.000 0.819 167 L CB 1.459 43.644 42.059 0.211 0.000 1.212 167 L HN 0.302 nan 8.230 nan 0.000 0.420 168 T N -1.362 113.222 114.554 0.049 0.000 3.010 168 T HA 0.230 4.579 4.350 -0.001 0.000 0.253 168 T C 0.715 175.391 174.700 -0.041 0.000 0.939 168 T CA 0.046 62.159 62.100 0.021 0.000 0.910 168 T CB -0.104 68.778 68.868 0.023 0.000 1.226 168 T HN 0.413 nan 8.240 nan 0.000 0.508 169 S N 1.218 116.892 115.700 -0.044 0.000 2.549 169 S HA 0.492 4.962 4.470 -0.001 0.000 0.279 169 S C 1.453 175.982 174.600 -0.118 0.000 1.321 169 S CA 0.455 58.613 58.200 -0.071 0.000 1.054 169 S CB 0.401 63.577 63.200 -0.041 0.000 0.899 169 S HN 1.155 nan 8.310 nan 0.000 0.497 170 G N 1.680 110.383 108.800 -0.162 0.000 2.148 170 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.254 170 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.254 170 G C 0.037 174.759 174.900 -0.296 0.000 0.981 170 G CA 0.037 45.026 45.100 -0.186 0.000 0.670 170 G HN 0.679 nan 8.290 nan 0.000 0.528 171 V N 2.217 121.919 119.914 -0.352 0.000 2.465 171 V HA 0.477 4.596 4.120 -0.001 0.000 0.279 171 V C 0.210 176.015 176.094 -0.481 0.000 1.045 171 V CA -0.545 61.569 62.300 -0.311 0.000 0.938 171 V CB 1.326 33.071 31.823 -0.129 0.000 0.986 171 V HN 0.373 nan 8.190 nan 0.000 0.467 172 H N 2.550 121.529 119.070 -0.153 0.000 2.887 172 H HA 0.309 4.864 4.556 -0.002 0.000 0.300 172 H C -0.504 174.611 175.328 -0.355 0.000 1.038 172 H CA -0.430 55.425 56.048 -0.323 0.000 1.352 172 H CB 1.623 31.109 29.762 -0.461 0.000 1.473 172 H HN 0.513 nan 8.280 nan 0.000 0.503 173 T N 4.813 119.272 114.554 -0.159 0.000 2.738 173 T HA 0.234 4.583 4.350 -0.001 0.000 0.298 173 T C 0.421 175.054 174.700 -0.111 0.000 0.962 173 T CA -0.424 61.657 62.100 -0.031 0.000 0.972 173 T CB -0.022 68.885 68.868 0.065 0.000 0.928 173 T HN 0.191 nan 8.240 nan 0.000 0.474 174 F N 3.954 123.988 119.950 0.140 0.000 2.418 174 F HA 0.353 4.879 4.527 -0.002 0.000 0.341 174 F C -1.572 174.295 175.800 0.111 0.000 1.120 174 F CA -2.310 55.762 58.000 0.119 0.000 1.232 174 F CB 0.067 39.132 39.000 0.109 0.000 1.175 174 F HN 0.346 nan 8.300 nan 0.000 0.569 175 P HA 0.130 nan 4.420 nan 0.000 0.268 175 P C -0.905 176.531 177.300 0.226 0.000 1.205 175 P CA -0.308 62.914 63.100 0.204 0.000 0.771 175 P CB 0.436 32.236 31.700 0.168 0.000 0.858 176 A N 2.786 125.731 122.820 0.208 0.000 2.445 176 A HA 0.330 4.649 4.320 -0.001 0.000 0.242 176 A C -0.148 177.594 177.584 0.263 0.000 1.075 176 A CA -0.049 52.140 52.037 0.254 0.000 0.777 176 A CB 0.013 19.158 19.000 0.242 0.000 1.013 176 A HN 0.389 nan 8.150 nan 0.000 0.493 177 V N 3.067 123.122 119.914 0.236 0.000 2.495 177 V HA 0.301 4.421 4.120 -0.001 0.000 0.298 177 V C -0.301 175.839 176.094 0.077 0.000 1.031 177 V CA -0.590 61.803 62.300 0.154 0.000 0.871 177 V CB 1.409 33.278 31.823 0.078 0.000 0.988 177 V HN 0.816 nan 8.190 nan 0.000 0.432 178 L N 5.939 127.134 121.223 -0.046 0.000 2.313 178 L HA 0.409 4.748 4.340 -0.001 0.000 0.282 178 L C 0.217 176.952 176.870 -0.224 0.000 1.092 178 L CA 0.583 55.176 54.840 -0.412 0.000 0.831 178 L CB 0.762 42.553 42.059 -0.447 0.000 1.159 178 L HN 0.727 nan 8.230 nan 0.000 0.442 179 Q N 2.680 122.341 119.800 -0.230 0.000 2.212 179 Q HA 0.326 4.665 4.340 -0.001 0.000 0.238 179 Q C 1.201 177.118 176.000 -0.139 0.000 0.955 179 Q CA -0.348 55.373 55.803 -0.136 0.000 0.906 179 Q CB 1.056 29.735 28.738 -0.098 0.000 1.215 179 Q HN 0.740 nan 8.270 nan 0.000 0.478 180 S N 0.489 116.133 115.700 -0.095 0.000 2.420 180 S HA -0.201 4.269 4.470 -0.001 0.000 0.237 180 S C 1.823 176.363 174.600 -0.100 0.000 1.023 180 S CA 1.536 59.684 58.200 -0.086 0.000 0.991 180 S CB -0.327 62.837 63.200 -0.060 0.000 0.792 180 S HN 0.770 nan 8.310 nan 0.000 0.488 181 S N 0.831 116.470 115.700 -0.103 0.000 2.469 181 S HA 0.144 4.613 4.470 -0.001 0.000 0.238 181 S C 1.632 176.138 174.600 -0.156 0.000 0.998 181 S CA 0.873 59.009 58.200 -0.107 0.000 0.957 181 S CB -0.655 62.494 63.200 -0.085 0.000 0.764 181 S HN 0.915 nan 8.310 nan 0.000 0.514 182 G N 0.280 108.959 108.800 -0.202 0.000 2.141 182 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.242 182 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.242 182 G C -0.226 174.483 174.900 -0.319 0.000 0.982 182 G CA 0.205 45.127 45.100 -0.296 0.000 0.662 182 G HN 0.552 nan 8.290 nan 0.000 0.527 183 L N -0.597 120.479 121.223 -0.245 0.000 2.354 183 L HA 0.712 5.051 4.340 -0.001 0.000 0.269 183 L C 0.137 176.816 176.870 -0.318 0.000 1.005 183 L CA -1.579 53.156 54.840 -0.176 0.000 0.819 183 L CB 1.404 43.411 42.059 -0.086 0.000 1.311 183 L HN 0.066 nan 8.230 nan 0.000 0.423 184 Y N 0.333 120.417 120.300 -0.360 0.000 2.354 184 Y HA 0.552 5.101 4.550 -0.001 0.000 0.322 184 Y C 0.525 176.125 175.900 -0.500 0.000 1.253 184 Y CA -0.011 57.771 58.100 -0.530 0.000 1.272 184 Y CB 1.949 39.845 38.460 -0.939 0.000 1.255 184 Y HN 0.494 nan 8.280 nan 0.000 0.500 185 S N 1.975 117.675 115.700 0.001 0.000 2.541 185 S HA 0.818 5.287 4.470 -0.001 0.000 0.271 185 S C -1.871 172.874 174.600 0.242 0.000 1.133 185 S CA -0.634 57.662 58.200 0.161 0.000 0.876 185 S CB 0.694 63.960 63.200 0.109 0.000 1.105 185 S HN 0.607 nan 8.310 nan 0.000 0.470 186 L N 0.571 121.971 121.223 0.295 0.000 2.600 186 L HA 0.930 5.269 4.340 -0.001 0.000 0.257 186 L C -0.782 176.232 176.870 0.241 0.000 1.048 186 L CA -0.541 54.457 54.840 0.263 0.000 0.869 186 L CB 1.418 43.654 42.059 0.295 0.000 1.482 186 L HN 0.436 nan 8.230 nan 0.000 0.408 187 S N -0.097 115.770 115.700 0.279 0.000 2.566 187 S HA 0.804 5.274 4.470 -0.001 0.000 0.298 187 S C -0.949 173.905 174.600 0.424 0.000 1.083 187 S CA -0.597 57.785 58.200 0.303 0.000 0.978 187 S CB 1.712 65.063 63.200 0.252 0.000 1.073 187 S HN 0.842 nan 8.310 nan 0.000 0.491 188 S N 1.782 117.711 115.700 0.381 0.000 2.519 188 S HA 0.727 5.197 4.470 -0.001 0.000 0.309 188 S C -1.184 173.712 174.600 0.494 0.000 1.100 188 S CA -0.474 57.984 58.200 0.430 0.000 1.059 188 S CB 0.485 63.947 63.200 0.437 0.000 1.008 188 S HN 0.456 nan 8.310 nan 0.000 0.478 189 V N 5.000 125.122 119.914 0.347 0.000 2.656 189 V HA 0.701 4.820 4.120 -0.001 0.000 0.307 189 V C -0.364 175.705 176.094 -0.042 0.000 1.051 189 V CA -0.735 61.673 62.300 0.180 0.000 0.893 189 V CB 1.722 33.699 31.823 0.258 0.000 0.999 189 V HN 0.690 nan 8.190 nan 0.000 0.426 190 V N 4.223 123.930 119.914 -0.344 0.000 2.769 190 V HA 0.827 4.946 4.120 -0.001 0.000 0.312 190 V C -0.013 175.892 176.094 -0.316 0.000 1.061 190 V CA -0.091 61.940 62.300 -0.447 0.000 0.931 190 V CB 2.711 33.982 31.823 -0.921 0.000 1.010 190 V HN 1.074 nan 8.190 nan 0.000 0.433 191 T N 3.748 118.183 114.554 -0.197 0.000 2.794 191 T HA 0.791 5.140 4.350 -0.001 0.000 0.280 191 T C -0.504 174.095 174.700 -0.169 0.000 0.987 191 T CA -0.266 61.746 62.100 -0.146 0.000 0.993 191 T CB 1.220 70.063 68.868 -0.042 0.000 0.939 191 T HN 1.467 nan 8.240 nan 0.000 0.449 192 V N -0.707 119.102 119.914 -0.175 0.000 3.130 192 V HA 0.841 4.961 4.120 -0.001 0.000 0.310 192 V C -3.243 172.817 176.094 -0.057 0.000 1.158 192 V CA -3.349 58.874 62.300 -0.129 0.000 1.029 192 V CB 1.606 33.286 31.823 -0.238 0.000 1.057 192 V HN 0.636 nan 8.190 nan 0.000 0.436 193 P HA 0.218 nan 4.420 nan 0.000 0.267 193 P C 0.943 178.255 177.300 0.021 0.000 1.205 193 P CA 0.471 63.579 63.100 0.014 0.000 0.765 193 P CB 1.019 32.739 31.700 0.033 0.000 0.828 194 S N 1.609 117.317 115.700 0.013 0.000 2.399 194 S HA -0.171 4.298 4.470 -0.001 0.000 0.231 194 S C 1.758 176.382 174.600 0.039 0.000 1.022 194 S CA 1.421 59.633 58.200 0.020 0.000 0.983 194 S CB -1.407 61.802 63.200 0.015 0.000 0.803 194 S HN 0.519 nan 8.310 nan 0.000 0.480 195 S N 2.284 118.006 115.700 0.037 0.000 2.469 195 S HA -0.087 4.382 4.470 -0.001 0.000 0.238 195 S C 1.848 176.480 174.600 0.054 0.000 0.998 195 S CA 1.013 59.237 58.200 0.040 0.000 0.957 195 S CB -0.842 62.377 63.200 0.031 0.000 0.764 195 S HN 0.805 nan 8.310 nan 0.000 0.514 196 S N 1.164 116.910 115.700 0.077 0.000 2.528 196 S HA 0.257 4.726 4.470 -0.001 0.000 0.219 196 S C 1.650 176.339 174.600 0.149 0.000 0.985 196 S CA -0.142 58.123 58.200 0.108 0.000 0.914 196 S CB -0.683 62.608 63.200 0.153 0.000 0.776 196 S HN 0.503 nan 8.310 nan 0.000 0.526 197 L N 1.228 122.538 121.223 0.143 0.000 2.079 197 L HA -0.021 4.319 4.340 -0.001 0.000 0.210 197 L C 2.850 179.794 176.870 0.124 0.000 1.081 197 L CA 1.417 56.358 54.840 0.168 0.000 0.752 197 L CB -1.053 41.070 42.059 0.106 0.000 0.896 197 L HN 0.570 nan 8.230 nan 0.000 0.433 198 G N -0.951 107.896 108.800 0.079 0.000 2.421 198 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.217 198 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.217 198 G C 1.597 176.518 174.900 0.036 0.000 1.143 198 G CA 1.159 46.292 45.100 0.054 0.000 0.784 198 G HN 0.464 nan 8.290 nan 0.000 0.541 199 T N -3.253 111.317 114.554 0.027 0.000 2.990 199 T HA 0.267 4.616 4.350 -0.001 0.000 0.249 199 T C 0.847 175.521 174.700 -0.043 0.000 1.039 199 T CA 0.012 62.112 62.100 -0.001 0.000 1.036 199 T CB 0.379 69.247 68.868 0.001 0.000 0.994 199 T HN 0.154 nan 8.240 nan 0.000 0.489 200 Q N 3.495 123.251 119.800 -0.072 0.000 2.325 200 Q HA 0.454 4.793 4.340 -0.001 0.000 0.262 200 Q C -0.319 175.437 176.000 -0.406 0.000 0.968 200 Q CA -0.428 55.220 55.803 -0.259 0.000 0.877 200 Q CB 1.276 29.815 28.738 -0.331 0.000 1.253 200 Q HN 0.446 nan 8.270 nan 0.000 0.448 201 T N 1.531 115.880 114.554 -0.341 0.000 2.907 201 T HA 0.438 4.788 4.350 -0.001 0.000 0.298 201 T C -0.596 173.847 174.700 -0.429 0.000 1.017 201 T CA -0.173 61.785 62.100 -0.237 0.000 1.118 201 T CB 0.326 69.140 68.868 -0.091 0.000 0.948 201 T HN 0.480 nan 8.240 nan 0.000 0.531 202 Y N 1.598 121.977 120.300 0.132 0.000 2.326 202 Y HA 0.594 5.143 4.550 -0.002 0.000 0.329 202 Y C -0.097 175.973 175.900 0.283 0.000 0.973 202 Y CA -1.190 57.049 58.100 0.231 0.000 1.162 202 Y CB 1.568 40.157 38.460 0.214 0.000 1.147 202 Y HN 0.587 nan 8.280 nan 0.000 0.456 203 I N 3.937 124.747 120.570 0.400 0.000 2.466 203 I HA 0.380 4.549 4.170 -0.001 0.000 0.289 203 I C -0.585 175.500 176.117 -0.054 0.000 1.026 203 I CA -0.884 60.515 61.300 0.164 0.000 1.078 203 I CB 1.351 39.391 38.000 0.067 0.000 1.249 203 I HN 0.666 nan 8.210 nan 0.000 0.429 204 c N 2.922 121.270 118.600 -0.420 0.000 2.307 204 c HA 0.574 5.144 4.570 -0.001 0.000 0.340 204 c C -0.163 173.644 174.090 -0.471 0.000 1.275 204 c CA -0.843 54.924 56.329 -0.937 0.000 1.811 204 c CB -0.660 41.034 42.510 -1.359 0.000 2.372 204 c HN 0.796 nan 8.230 nan 0.000 0.531 205 N N 2.361 120.813 118.700 -0.414 0.000 2.485 205 N HA 0.541 5.281 4.740 -0.001 0.000 0.243 205 N C -0.891 174.480 175.510 -0.232 0.000 0.987 205 N CA -0.404 52.503 53.050 -0.238 0.000 0.940 205 N CB 1.569 39.962 38.487 -0.157 0.000 1.122 205 N HN 0.650 nan 8.380 nan 0.000 0.509 206 V N 2.157 121.953 119.914 -0.197 0.000 2.459 206 V HA 0.394 4.513 4.120 -0.001 0.000 0.295 206 V C -0.180 175.836 176.094 -0.130 0.000 1.029 206 V CA -0.843 61.350 62.300 -0.177 0.000 0.874 206 V CB 1.432 33.142 31.823 -0.190 0.000 0.985 206 V HN 0.736 nan 8.190 nan 0.000 0.438 207 N N 2.151 120.782 118.700 -0.115 0.000 2.352 207 N HA 0.351 5.090 4.740 -0.001 0.000 0.291 207 N C -1.311 174.163 175.510 -0.060 0.000 1.040 207 N CA -0.556 52.446 53.050 -0.080 0.000 0.864 207 N CB 1.218 39.659 38.487 -0.075 0.000 1.440 207 N HN 0.905 nan 8.380 nan 0.000 0.483 208 H N 4.183 123.160 119.070 -0.155 0.000 2.736 208 H HA 0.200 4.755 4.556 -0.002 0.000 0.271 208 H C 0.186 175.458 175.328 -0.094 0.000 1.184 208 H CA -0.343 55.609 56.048 -0.161 0.000 1.378 208 H CB 0.883 30.532 29.762 -0.189 0.000 1.428 208 H HN 0.634 nan 8.280 nan 0.000 0.500 209 K N 3.022 123.243 120.400 -0.299 0.000 2.057 209 K HA -0.062 4.257 4.320 -0.001 0.000 0.207 209 K C -0.996 175.430 176.600 -0.291 0.000 1.049 209 K CA 1.096 57.242 56.287 -0.234 0.000 0.931 209 K CB -0.585 31.818 32.500 -0.162 0.000 0.714 209 K HN 0.454 nan 8.250 nan 0.000 0.440 210 P HA -0.160 nan 4.420 nan 0.000 0.218 210 P C 0.978 178.176 177.300 -0.170 0.000 1.146 210 P CA 1.498 64.405 63.100 -0.322 0.000 0.813 210 P CB 0.063 31.536 31.700 -0.379 0.000 0.778 211 S N -3.147 112.463 115.700 -0.151 0.000 2.554 211 S HA 0.155 4.625 4.470 -0.001 0.000 0.226 211 S C 0.431 175.048 174.600 0.029 0.000 0.980 211 S CA -0.363 57.873 58.200 0.060 0.000 0.939 211 S CB -1.188 62.174 63.200 0.271 0.000 0.832 211 S HN 0.037 nan 8.310 nan 0.000 0.486 212 N N 1.055 119.736 118.700 -0.032 0.000 2.727 212 N HA -0.130 4.609 4.740 -0.001 0.000 0.249 212 N C -1.127 174.382 175.510 -0.003 0.000 1.048 212 N CA 1.083 54.118 53.050 -0.025 0.000 0.714 212 N CB -1.600 36.875 38.487 -0.019 0.000 0.959 212 N HN 0.407 nan 8.380 nan 0.000 0.544 213 T N 0.832 115.397 114.554 0.018 0.000 2.743 213 T HA 0.335 4.684 4.350 -0.001 0.000 0.292 213 T C 0.161 174.853 174.700 -0.014 0.000 0.972 213 T CA -0.352 61.760 62.100 0.020 0.000 0.967 213 T CB 1.380 70.284 68.868 0.060 0.000 0.926 213 T HN 0.135 nan 8.240 nan 0.000 0.459 214 K N 3.198 123.579 120.400 -0.031 0.000 2.463 214 K HA 0.660 4.979 4.320 -0.001 0.000 0.255 214 K C -1.621 174.946 176.600 -0.056 0.000 0.942 214 K CA -0.621 55.637 56.287 -0.048 0.000 0.814 214 K CB 1.265 33.739 32.500 -0.043 0.000 1.122 214 K HN 0.344 nan 8.250 nan 0.000 0.425 215 V N 3.658 123.526 119.914 -0.077 0.000 2.638 215 V HA 0.308 4.427 4.120 -0.001 0.000 0.306 215 V C -1.205 174.831 176.094 -0.097 0.000 1.052 215 V CA -0.923 61.327 62.300 -0.083 0.000 0.885 215 V CB 2.014 33.776 31.823 -0.102 0.000 0.999 215 V HN 0.798 nan 8.190 nan 0.000 0.424 216 D N 3.966 124.321 120.400 -0.076 0.000 2.441 216 D HA 0.332 4.971 4.640 -0.001 0.000 0.231 216 D C -0.400 175.863 176.300 -0.061 0.000 1.073 216 D CA -0.525 53.426 54.000 -0.080 0.000 0.850 216 D CB 2.236 43.004 40.800 -0.054 0.000 1.062 216 D HN 0.346 nan 8.370 nan 0.000 0.524 217 K N 2.147 122.498 120.400 -0.081 0.000 2.293 217 K HA 0.165 4.484 4.320 -0.001 0.000 0.267 217 K C -0.348 176.257 176.600 0.009 0.000 1.010 217 K CA -0.724 55.542 56.287 -0.036 0.000 0.875 217 K CB 1.007 33.479 32.500 -0.046 0.000 1.106 217 K HN 0.051 nan 8.250 nan 0.000 0.450 218 K N 3.588 124.017 120.400 0.048 0.000 2.368 218 K HA 0.181 4.500 4.320 -0.001 0.000 0.282 218 K C -0.983 175.700 176.600 0.137 0.000 1.035 218 K CA -0.470 55.876 56.287 0.098 0.000 0.973 218 K CB 0.645 33.191 32.500 0.077 0.000 0.957 218 K HN 0.382 nan 8.250 nan 0.000 0.474 219 V N 5.485 125.528 119.914 0.215 0.000 2.318 219 V HA 0.168 4.288 4.120 -0.001 0.000 0.271 219 V C -0.345 175.873 176.094 0.207 0.000 1.030 219 V CA -0.599 61.839 62.300 0.230 0.000 0.844 219 V CB 0.943 32.964 31.823 0.329 0.000 1.015 219 V HN 0.803 nan 8.190 nan 0.000 0.460 220 E N 6.037 126.326 120.200 0.149 0.000 2.216 220 E HA 0.392 4.741 4.350 -0.001 0.000 0.279 220 E C -2.479 174.186 176.600 0.109 0.000 0.997 220 E CA -1.889 54.586 56.400 0.125 0.000 0.817 220 E CB 1.436 31.191 29.700 0.093 0.000 1.096 220 E HN 0.451 nan 8.360 nan 0.000 0.393 221 P HA -0.024 nan 4.420 nan 0.000 0.267 221 P C -0.814 176.523 177.300 0.061 0.000 1.200 221 P CA 0.195 63.342 63.100 0.079 0.000 0.772 221 P CB 0.426 32.173 31.700 0.078 0.000 0.855 222 K N 1.768 122.198 120.400 0.050 0.000 2.701 222 K HA 0.297 4.616 4.320 -0.001 0.000 0.212 222 K C -0.763 175.854 176.600 0.027 0.000 1.035 222 K CA -0.229 56.081 56.287 0.039 0.000 1.048 222 K CB 0.415 32.938 32.500 0.039 0.000 1.234 222 K HN 0.337 nan 8.250 nan 0.000 0.540 223 S N 1.473 117.186 115.700 0.023 0.000 2.585 223 S HA 0.167 4.636 4.470 -0.001 0.000 0.273 223 S C -0.081 174.508 174.600 -0.018 0.000 1.339 223 S CA -0.443 57.762 58.200 0.008 0.000 1.028 223 S CB 0.630 63.838 63.200 0.015 0.000 0.906 223 S HN 0.563 nan 8.310 nan 0.000 0.528 224 C N 2.142 121.395 119.300 -0.078 0.000 2.358 224 C HA 0.445 4.904 4.460 -0.001 0.000 0.342 224 C C 0.346 175.171 174.990 -0.276 0.000 1.234 224 C CA -0.614 58.312 59.018 -0.154 0.000 1.969 224 C CB -0.021 27.611 27.740 -0.180 0.000 2.346 224 C HN 0.962 nan 8.230 nan 0.000 0.525 225 H N 2.310 121.240 119.070 -0.234 0.000 2.562 225 H HA 0.342 4.897 4.556 -0.002 0.000 0.314 225 H C -0.292 174.921 175.328 -0.192 0.000 1.079 225 H CA 0.140 56.076 56.048 -0.187 0.000 1.349 225 H CB 0.263 30.003 29.762 -0.037 0.000 1.432 225 H HN 0.663 nan 8.280 nan 0.000 0.479 226 H N 4.432 123.193 119.070 -0.514 0.000 2.641 226 H HA 0.087 4.642 4.556 -0.001 0.000 0.295 226 H C -0.218 174.850 175.328 -0.434 0.000 1.070 226 H CA -0.537 55.306 56.048 -0.342 0.000 1.257 226 H CB -0.085 29.579 29.762 -0.162 0.000 1.393 226 H HN 0.745 nan 8.280 nan 0.000 0.464 227 H N 1.827 120.796 119.070 -0.169 0.000 2.848 227 H HA -0.008 4.547 4.556 -0.001 0.000 0.341 227 H C 0.309 175.716 175.328 0.130 0.000 1.060 227 H CA 0.548 56.604 56.048 0.013 0.000 1.444 227 H CB 0.075 29.904 29.762 0.112 0.000 1.446 227 H HN 0.813 nan 8.280 nan 0.000 0.583 228 H N 2.362 121.117 119.070 -0.524 0.000 2.604 228 H HA -0.238 4.317 4.556 -0.001 0.000 0.321 228 H C -1.194 174.048 175.328 -0.143 0.000 1.132 228 H CA 1.405 57.233 56.048 -0.367 0.000 1.129 228 H CB -1.432 28.119 29.762 -0.351 0.000 1.526 228 H HN 0.705 nan 8.280 nan 0.000 0.415 229 H N 0.858 119.754 119.070 -0.290 0.000 3.017 229 H HA 0.260 4.816 4.556 -0.001 0.000 0.340 229 H C -0.348 174.890 175.328 -0.149 0.000 1.014 229 H CA -0.618 55.300 56.048 -0.217 0.000 1.341 229 H CB 0.886 30.592 29.762 -0.094 0.000 1.739 229 H HN 0.598 nan 8.280 nan 0.000 0.506 230 H N 0.000 118.751 119.070 -0.532 0.000 2.539 230 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 230 H CA 0.000 55.796 56.048 -0.421 0.000 1.023 230 H CB 0.000 29.593 29.762 -0.281 0.000 1.292 230 H HN 0.000 nan 8.280 nan 0.000 0.496