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 1zk5_1_A DATA FIRST_RESID 1 DATA SEQUENCE AVSFIGSTEN DVGPSQGSYS STHXXXNLPF VYNTGHNIGY QNANVWRISG DATA SEQUENCE GFcVGLDGKV DLPVVGSLDG QSIYGLTEEV GLLIWMGDTN YSRGTAMSGN DATA SEQUENCE SWENVFSGWc VGNYVSTQGL SVHVRPVILK RNSSAQYSVQ KTSIGSIRMR DATA SEQUENCE PYNGSSAGSV QTTVNFSLNP FTLND VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.358 177.584 -0.377 0.000 1.274 1 A CA 0.000 51.976 52.037 -0.102 0.000 0.836 1 A CB 0.000 18.956 19.000 -0.074 0.000 0.831 2 V N 0.542 120.225 119.914 -0.385 0.000 3.048 2 V HA 0.899 4.910 4.120 -0.182 0.000 0.303 2 V C -0.806 175.196 176.094 -0.152 0.000 1.214 2 V CA 0.533 62.534 62.300 -0.498 0.000 0.984 2 V CB 2.320 33.525 31.823 -1.029 0.000 1.054 2 V HN 2.382 nan 8.190 nan 0.000 0.430 3 S N 4.902 120.592 115.700 -0.017 0.000 2.570 3 S HA 0.697 5.058 4.470 -0.182 0.000 0.270 3 S C -1.270 173.475 174.600 0.243 0.000 1.149 3 S CA -0.575 57.686 58.200 0.103 0.000 0.837 3 S CB 1.700 64.923 63.200 0.038 0.000 1.124 3 S HN 1.217 nan 8.310 nan 0.000 0.465 4 F N 2.768 122.767 119.950 0.082 0.000 2.411 4 F HA 0.610 5.029 4.527 -0.181 0.000 0.350 4 F C 0.734 176.471 175.800 -0.104 0.000 1.114 4 F CA -1.169 56.808 58.000 -0.039 0.000 1.135 4 F CB 0.818 39.801 39.000 -0.028 0.000 1.120 4 F HN 0.689 nan 8.300 nan 0.000 0.495 5 I N 2.746 122.816 120.570 -0.834 0.000 4.338 5 I HA 0.518 4.579 4.170 -0.182 0.000 0.329 5 I C 0.731 176.373 176.117 -0.791 0.000 1.378 5 I CA -0.158 60.768 61.300 -0.624 0.000 1.170 5 I CB -0.047 37.772 38.000 -0.302 0.000 1.206 5 I HN 0.572 nan 8.210 nan 0.000 0.432 6 G N 0.953 108.897 108.800 -1.426 0.000 2.695 6 G HA2 0.501 4.352 3.960 -0.182 0.000 0.213 6 G HA3 0.501 4.352 3.960 -0.182 0.000 0.213 6 G C -0.841 173.709 174.900 -0.584 0.000 1.406 6 G CA -0.352 44.231 45.100 -0.862 0.000 1.049 6 G HN 0.156 nan 8.290 nan 0.000 0.573 7 S N -2.318 113.286 115.700 -0.161 0.000 2.503 7 S HA 0.497 4.858 4.470 -0.182 0.000 0.301 7 S C 1.093 175.769 174.600 0.127 0.000 1.087 7 S CA -0.228 57.992 58.200 0.033 0.000 1.042 7 S CB 1.619 64.811 63.200 -0.013 0.000 1.043 7 S HN 0.409 nan 8.310 nan 0.000 0.489 8 T N 2.419 117.033 114.554 0.100 0.000 2.851 8 T HA 0.127 4.367 4.350 -0.182 0.000 0.262 8 T C -0.028 174.567 174.700 -0.175 0.000 1.043 8 T CA 0.917 62.990 62.100 -0.043 0.000 1.140 8 T CB -0.083 68.744 68.868 -0.068 0.000 0.872 8 T HN 0.513 nan 8.240 nan 0.000 0.446 9 E N 2.624 122.731 120.200 -0.155 0.000 2.145 9 E HA 0.383 4.624 4.350 -0.182 0.000 0.270 9 E C -0.773 175.680 176.600 -0.245 0.000 0.906 9 E CA -0.351 55.931 56.400 -0.198 0.000 0.761 9 E CB 0.929 30.562 29.700 -0.112 0.000 1.116 9 E HN 0.306 nan 8.360 nan 0.000 0.408 10 N N 2.512 120.986 118.700 -0.377 0.000 2.314 10 N HA 0.255 4.885 4.740 -0.182 0.000 0.294 10 N C -0.986 174.414 175.510 -0.183 0.000 1.029 10 N CA -0.606 52.165 53.050 -0.466 0.000 0.845 10 N CB 1.985 39.835 38.487 -1.062 0.000 1.321 10 N HN 0.250 nan 8.380 nan 0.000 0.481 11 D N 1.011 121.385 120.400 -0.044 0.000 2.256 11 D HA 0.227 4.758 4.640 -0.182 0.000 0.250 11 D C -0.068 176.370 176.300 0.231 0.000 1.093 11 D CA -0.074 53.986 54.000 0.101 0.000 0.882 11 D CB 2.079 42.946 40.800 0.112 0.000 1.185 11 D HN 0.058 nan 8.370 nan 0.000 0.437 12 V N 1.681 121.737 119.914 0.236 0.000 2.347 12 V HA 0.664 4.675 4.120 -0.182 0.000 0.280 12 V C 0.690 176.937 176.094 0.255 0.000 1.021 12 V CA -0.272 62.198 62.300 0.283 0.000 0.847 12 V CB 0.710 32.679 31.823 0.243 0.000 0.990 12 V HN 0.858 nan 8.190 nan 0.000 0.444 13 G N 6.708 115.666 108.800 0.265 0.000 2.712 13 G HA2 -0.077 3.774 3.960 -0.182 0.000 0.686 13 G HA3 -0.077 3.774 3.960 -0.182 0.000 0.686 13 G C -2.706 172.339 174.900 0.241 0.000 1.321 13 G CA -0.773 44.481 45.100 0.257 0.000 0.813 13 G HN 0.661 nan 8.290 nan 0.000 0.599 14 P HA 0.354 nan 4.420 nan 0.000 0.271 14 P C 0.387 177.788 177.300 0.169 0.000 1.216 14 P CA 0.173 63.376 63.100 0.172 0.000 0.776 14 P CB 1.355 33.136 31.700 0.135 0.000 0.881 15 S N 2.442 118.218 115.700 0.126 0.000 2.525 15 S HA -0.029 4.331 4.470 -0.182 0.000 0.285 15 S C 0.563 175.222 174.600 0.097 0.000 1.283 15 S CA 0.251 58.516 58.200 0.108 0.000 1.072 15 S CB -0.772 62.475 63.200 0.078 0.000 0.867 15 S HN 0.479 nan 8.310 nan 0.000 0.492 16 Q N 1.203 121.070 119.800 0.111 0.000 2.475 16 Q HA -0.161 4.070 4.340 -0.182 0.000 0.280 16 Q C 0.449 176.501 176.000 0.087 0.000 1.234 16 Q CA 0.552 56.414 55.803 0.098 0.000 0.873 16 Q CB -2.238 26.534 28.738 0.056 0.000 1.256 16 Q HN 0.872 nan 8.270 nan 0.000 0.475 17 G N 0.261 109.142 108.800 0.137 0.000 2.527 17 G HA2 0.357 4.208 3.960 -0.182 0.000 0.248 17 G HA3 0.357 4.208 3.960 -0.182 0.000 0.248 17 G C -0.434 174.364 174.900 -0.170 0.000 1.231 17 G CA 0.201 45.282 45.100 -0.033 0.000 0.838 17 G HN 0.117 nan 8.290 nan 0.000 0.570 18 S N 0.092 115.501 115.700 -0.485 0.000 2.502 18 S HA 0.711 5.071 4.470 -0.182 0.000 0.304 18 S C -1.438 172.732 174.600 -0.717 0.000 1.097 18 S CA -0.674 57.303 58.200 -0.372 0.000 1.045 18 S CB 0.592 63.697 63.200 -0.158 0.000 1.019 18 S HN 0.423 nan 8.310 nan 0.000 0.481 19 Y N 1.444 121.750 120.300 0.010 0.000 2.442 19 Y HA 0.526 4.966 4.550 -0.183 0.000 0.344 19 Y C 0.305 176.313 175.900 0.181 0.000 0.976 19 Y CA -0.796 57.333 58.100 0.048 0.000 1.040 19 Y CB 2.241 40.672 38.460 -0.049 0.000 1.228 19 Y HN 0.503 nan 8.280 nan 0.000 0.451 20 S N 1.263 117.163 115.700 0.334 0.000 2.501 20 S HA 0.514 4.875 4.470 -0.182 0.000 0.301 20 S C -0.465 174.288 174.600 0.255 0.000 1.096 20 S CA -1.045 57.337 58.200 0.304 0.000 1.063 20 S CB 1.228 64.513 63.200 0.141 0.000 1.042 20 S HN 0.682 nan 8.310 nan 0.000 0.494 21 S N 0.874 116.625 115.700 0.084 0.000 2.592 21 S HA 0.310 4.671 4.470 -0.182 0.000 0.271 21 S C 0.899 175.451 174.600 -0.080 0.000 1.326 21 S CA -0.139 57.887 58.200 -0.289 0.000 1.024 21 S CB 0.744 63.610 63.200 -0.555 0.000 0.921 21 S HN 0.831 nan 8.310 nan 0.000 0.527 22 T N -3.956 110.579 114.554 -0.032 0.000 3.040 22 T HA 0.482 4.722 4.350 -0.182 0.000 0.266 22 T C 0.454 175.171 174.700 0.028 0.000 1.005 22 T CA 0.434 62.535 62.100 0.002 0.000 0.906 22 T CB -1.046 67.823 68.868 0.001 0.000 1.082 22 T HN 1.294 nan 8.240 nan 0.000 0.531 28 L N 1.918 123.195 121.223 0.090 0.000 2.422 28 L HA 0.638 4.869 4.340 -0.182 0.000 0.264 28 L C -2.038 174.864 176.870 0.052 0.000 0.984 28 L CA -1.638 53.257 54.840 0.091 0.000 0.819 28 L CB 2.014 44.114 42.059 0.067 0.000 1.330 28 L HN 0.473 nan 8.230 nan 0.000 0.410 29 P HA 0.177 nan 4.420 nan 0.000 0.271 29 P C -1.228 176.130 177.300 0.097 0.000 1.216 29 P CA -0.092 63.045 63.100 0.061 0.000 0.776 29 P CB 0.368 32.081 31.700 0.022 0.000 0.881 30 F N 3.763 123.708 119.950 -0.007 0.000 2.404 30 F HA 0.393 4.811 4.527 -0.181 0.000 0.354 30 F C -0.666 175.161 175.800 0.045 0.000 1.122 30 F CA -0.747 57.252 58.000 -0.001 0.000 1.080 30 F CB 0.887 39.875 39.000 -0.019 0.000 1.131 30 F HN -0.006 nan 8.300 nan 0.000 0.471 31 V N 7.246 126.841 119.914 -0.531 0.000 2.407 31 V HA 0.152 4.163 4.120 -0.182 0.000 0.278 31 V C -0.578 175.294 176.094 -0.369 0.000 1.037 31 V CA -0.721 61.417 62.300 -0.269 0.000 0.900 31 V CB 0.522 32.237 31.823 -0.179 0.000 0.983 31 V HN 0.554 nan 8.190 nan 0.000 0.459 32 Y N 1.994 122.211 120.300 -0.139 0.000 2.377 32 Y HA 0.239 4.678 4.550 -0.184 0.000 0.330 32 Y C 1.234 177.072 175.900 -0.102 0.000 1.108 32 Y CA -0.070 58.009 58.100 -0.035 0.000 1.308 32 Y CB 0.382 38.842 38.460 -0.001 0.000 1.216 32 Y HN 0.750 nan 8.280 nan 0.000 0.518 33 N N 0.627 119.319 118.700 -0.014 0.000 3.050 33 N HA 0.142 4.772 4.740 -0.182 0.000 0.289 33 N C 0.759 176.254 175.510 -0.026 0.000 1.209 33 N CA 0.229 53.250 53.050 -0.048 0.000 1.154 33 N CB -0.576 37.865 38.487 -0.077 0.000 1.444 33 N HN 0.689 nan 8.380 nan 0.000 0.529 34 T N -2.937 111.589 114.554 -0.047 0.000 3.144 34 T HA 0.442 4.682 4.350 -0.182 0.000 0.249 34 T C 1.594 176.205 174.700 -0.148 0.000 1.089 34 T CA 0.664 62.709 62.100 -0.092 0.000 0.989 34 T CB -0.425 68.282 68.868 -0.268 0.000 0.992 34 T HN 1.344 nan 8.240 nan 0.000 0.540 35 G N 2.992 111.684 108.800 -0.180 0.000 2.622 35 G HA2 -0.363 3.487 3.960 -0.182 0.000 0.307 35 G HA3 -0.363 3.487 3.960 -0.182 0.000 0.307 35 G C 0.445 175.144 174.900 -0.334 0.000 1.226 35 G CA 0.490 45.404 45.100 -0.309 0.000 0.997 35 G HN 1.005 nan 8.290 nan 0.000 0.551 36 H N 0.955 119.769 119.070 -0.427 0.000 2.475 36 H HA 0.374 4.834 4.556 -0.161 0.000 0.276 36 H C 1.490 176.554 175.328 -0.440 0.000 1.126 36 H CA 0.181 55.840 56.048 -0.647 0.000 1.023 36 H CB -0.019 28.949 29.762 -1.323 0.000 1.669 36 H HN 0.370 nan 8.280 nan 0.000 0.573 37 N N 1.506 120.101 118.700 -0.173 0.000 2.166 37 N HA -0.042 4.589 4.740 -0.182 0.000 0.186 37 N C 0.711 176.260 175.510 0.065 0.000 1.019 37 N CA 0.816 53.862 53.050 -0.007 0.000 0.856 37 N CB 0.371 38.916 38.487 0.096 0.000 0.993 37 N HN 0.514 nan 8.380 nan 0.000 0.426 38 I N 1.178 121.749 120.570 0.002 0.000 2.243 38 I HA 0.299 4.360 4.170 -0.182 0.000 0.289 38 I C 0.702 176.896 176.117 0.129 0.000 1.140 38 I CA -0.533 60.806 61.300 0.065 0.000 1.289 38 I CB 0.490 38.449 38.000 -0.067 0.000 1.498 38 I HN -0.087 nan 8.210 nan 0.000 0.561 39 G N 3.404 112.305 108.800 0.168 0.000 2.721 39 G HA2 0.560 4.410 3.960 -0.182 0.000 0.296 39 G HA3 0.560 4.410 3.960 -0.182 0.000 0.296 39 G C -2.324 172.815 174.900 0.398 0.000 1.383 39 G CA -0.463 44.795 45.100 0.264 0.000 0.788 39 G HN 0.184 nan 8.290 nan 0.000 0.500 40 Y N 0.211 120.714 120.300 0.339 0.000 2.513 40 Y HA 0.630 5.081 4.550 -0.166 0.000 0.340 40 Y C -0.921 175.083 175.900 0.174 0.000 1.055 40 Y CA -0.714 57.546 58.100 0.267 0.000 1.020 40 Y CB 2.027 40.653 38.460 0.276 0.000 1.301 40 Y HN 0.876 nan 8.280 nan 0.000 0.453 41 Q N 4.241 123.564 119.800 -0.796 0.000 2.391 41 Q HA 0.534 4.765 4.340 -0.182 0.000 0.279 41 Q C -2.296 173.252 176.000 -0.753 0.000 1.028 41 Q CA -1.170 54.227 55.803 -0.677 0.000 0.836 41 Q CB 2.672 30.920 28.738 -0.817 0.000 1.414 41 Q HN 0.597 nan 8.270 nan 0.000 0.397 42 N N 0.315 118.784 118.700 -0.385 0.000 2.578 42 N HA 0.334 4.964 4.740 -0.182 0.000 0.282 42 N C -0.918 174.518 175.510 -0.124 0.000 1.119 42 N CA 0.239 53.154 53.050 -0.226 0.000 0.948 42 N CB 2.159 40.612 38.487 -0.058 0.000 1.546 42 N HN 0.783 nan 8.380 nan 0.000 0.525 43 A N 2.779 125.521 122.820 -0.130 0.000 2.119 43 A HA 0.075 4.286 4.320 -0.182 0.000 0.216 43 A C 0.183 177.751 177.584 -0.028 0.000 1.152 43 A CA 0.703 52.687 52.037 -0.089 0.000 0.708 43 A CB -0.075 18.864 19.000 -0.101 0.000 0.805 43 A HN 0.620 nan 8.150 nan 0.000 0.460 44 N N 0.126 118.799 118.700 -0.046 0.000 2.804 44 N HA 0.316 4.946 4.740 -0.182 0.000 0.251 44 N C 0.089 175.520 175.510 -0.131 0.000 1.250 44 N CA -0.053 52.972 53.050 -0.042 0.000 0.820 44 N CB 1.776 40.231 38.487 -0.054 0.000 1.156 44 N HN 0.031 nan 8.380 nan 0.000 0.512 45 V N -0.791 119.044 119.914 -0.131 0.000 2.922 45 V HA 0.271 4.282 4.120 -0.182 0.000 0.242 45 V C 0.234 175.926 176.094 -0.670 0.000 1.094 45 V CA 0.661 62.675 62.300 -0.477 0.000 1.106 45 V CB 0.431 31.925 31.823 -0.548 0.000 0.799 45 V HN 0.531 nan 8.190 nan 0.000 0.474 46 W N 0.392 121.702 121.300 0.016 0.000 2.915 46 W HA 0.566 5.107 4.660 -0.199 0.000 0.337 46 W C -0.181 176.327 176.519 -0.019 0.000 1.102 46 W CA -0.914 56.440 57.345 0.014 0.000 1.224 46 W CB 1.806 31.313 29.460 0.078 0.000 1.416 46 W HN -0.043 nan 8.180 nan 0.000 0.503 47 R N 3.832 124.416 120.500 0.140 0.000 2.265 47 R HA 0.596 4.826 4.340 -0.182 0.000 0.319 47 R C -0.466 175.812 176.300 -0.038 0.000 1.006 47 R CA -0.178 55.952 56.100 0.050 0.000 0.880 47 R CB 0.726 31.028 30.300 0.003 0.000 1.077 47 R HN 0.597 nan 8.270 nan 0.000 0.454 48 I N 0.492 121.025 120.570 -0.062 0.000 2.892 48 I HA 0.718 4.779 4.170 -0.182 0.000 0.306 48 I C -0.879 175.130 176.117 -0.181 0.000 1.078 48 I CA -0.798 60.365 61.300 -0.228 0.000 1.032 48 I CB 2.500 40.355 38.000 -0.241 0.000 1.229 48 I HN 0.784 nan 8.210 nan 0.000 0.435 49 S N 1.366 116.945 115.700 -0.201 0.000 2.661 49 S HA 0.684 5.045 4.470 -0.182 0.000 0.268 49 S C 0.191 174.713 174.600 -0.130 0.000 1.162 49 S CA -0.312 57.779 58.200 -0.181 0.000 0.817 49 S CB 0.746 63.879 63.200 -0.111 0.000 1.141 49 S HN 2.234 nan 8.310 nan 0.000 0.477 50 G N -0.056 108.663 108.800 -0.135 0.000 2.371 50 G HA2 0.278 4.128 3.960 -0.182 0.000 0.299 50 G HA3 0.278 4.128 3.960 -0.182 0.000 0.299 50 G C 1.467 176.313 174.900 -0.089 0.000 1.014 50 G CA 0.948 45.997 45.100 -0.085 0.000 1.097 50 G HN 2.587 nan 8.290 nan 0.000 0.512 51 G N -1.532 107.175 108.800 -0.155 0.000 2.148 51 G HA2 -0.172 3.678 3.960 -0.182 0.000 0.254 51 G HA3 -0.172 3.678 3.960 -0.182 0.000 0.254 51 G C 0.462 175.231 174.900 -0.219 0.000 0.981 51 G CA 0.496 45.490 45.100 -0.176 0.000 0.670 51 G HN 1.728 nan 8.290 nan 0.000 0.528 52 F N 1.198 120.940 119.950 -0.347 0.000 2.578 52 F HA 0.443 4.858 4.527 -0.187 0.000 0.376 52 F C 0.997 176.478 175.800 -0.531 0.000 1.085 52 F CA 0.057 57.833 58.000 -0.374 0.000 1.260 52 F CB 0.421 39.230 39.000 -0.318 0.000 1.095 52 F HN 0.185 nan 8.300 nan 0.000 0.573 53 c N 6.583 124.620 118.600 -0.939 0.000 2.322 53 c HA 0.753 5.214 4.570 -0.182 0.000 0.324 53 c C -0.258 173.239 174.090 -0.989 0.000 1.284 53 c CA -0.999 54.676 56.329 -1.090 0.000 1.606 53 c CB 0.667 42.235 42.510 -1.571 0.000 2.251 53 c HN 0.684 nan 8.230 nan 0.000 0.502 54 V N 3.330 122.973 119.914 -0.451 0.000 2.932 54 V HA 0.937 4.947 4.120 -0.182 0.000 0.307 54 V C -0.007 176.265 176.094 0.296 0.000 1.147 54 V CA 0.374 62.678 62.300 0.008 0.000 0.951 54 V CB 2.206 34.122 31.823 0.154 0.000 1.031 54 V HN 1.055 nan 8.190 nan 0.000 0.426 55 G N 4.278 113.222 108.800 0.241 0.000 3.211 55 G HA2 0.806 4.656 3.960 -0.182 0.000 0.262 55 G HA3 0.806 4.656 3.960 -0.182 0.000 0.262 55 G C -1.707 173.329 174.900 0.225 0.000 1.352 55 G CA -0.840 44.332 45.100 0.120 0.000 1.004 55 G HN 0.799 nan 8.290 nan 0.000 0.559 56 L N 0.221 121.603 121.223 0.266 0.000 2.422 56 L HA 0.464 4.695 4.340 -0.182 0.000 0.264 56 L C -1.455 175.543 176.870 0.213 0.000 0.984 56 L CA -0.987 54.014 54.840 0.269 0.000 0.819 56 L CB 2.633 44.943 42.059 0.417 0.000 1.330 56 L HN 0.338 nan 8.230 nan 0.000 0.410 57 D N 1.307 121.822 120.400 0.192 0.000 2.252 57 D HA 0.646 5.177 4.640 -0.182 0.000 0.245 57 D C -0.277 176.322 176.300 0.498 0.000 1.009 57 D CA -0.142 54.020 54.000 0.271 0.000 0.870 57 D CB 2.694 43.571 40.800 0.128 0.000 1.251 57 D HN 0.658 nan 8.370 nan 0.000 0.460 58 G N 0.313 109.413 108.800 0.501 0.000 2.519 58 G HA2 0.609 4.460 3.960 -0.182 0.000 0.307 58 G HA3 0.609 4.460 3.960 -0.182 0.000 0.307 58 G C -1.093 173.929 174.900 0.204 0.000 1.266 58 G CA -0.610 44.734 45.100 0.407 0.000 0.970 58 G HN 0.308 nan 8.290 nan 0.000 0.481 59 K N 0.821 121.161 120.400 -0.101 0.000 2.525 59 K HA 0.551 4.762 4.320 -0.182 0.000 0.254 59 K C -1.534 174.872 176.600 -0.324 0.000 0.934 59 K CA -0.600 55.440 56.287 -0.412 0.000 0.802 59 K CB 2.648 34.435 32.500 -1.189 0.000 1.295 59 K HN 0.331 nan 8.250 nan 0.000 0.433 60 V N 3.698 123.421 119.914 -0.317 0.000 2.435 60 V HA 0.204 4.214 4.120 -0.182 0.000 0.290 60 V C -0.058 175.858 176.094 -0.297 0.000 1.030 60 V CA -0.466 61.594 62.300 -0.400 0.000 0.881 60 V CB 1.605 32.912 31.823 -0.860 0.000 0.983 60 V HN 0.868 nan 8.190 nan 0.000 0.445 61 D N 2.743 123.004 120.400 -0.233 0.000 2.367 61 D HA 0.171 4.701 4.640 -0.182 0.000 0.207 61 D C 0.743 176.993 176.300 -0.083 0.000 1.034 61 D CA 0.267 54.181 54.000 -0.143 0.000 0.861 61 D CB 0.477 41.207 40.800 -0.116 0.000 0.943 61 D HN 0.364 nan 8.370 nan 0.000 0.515 62 L N 3.062 124.222 121.223 -0.106 0.000 2.483 62 L HA 0.109 4.339 4.340 -0.182 0.000 0.276 62 L C -1.839 175.100 176.870 0.115 0.000 1.213 62 L CA -1.234 53.604 54.840 -0.003 0.000 0.843 62 L CB -0.082 41.973 42.059 -0.006 0.000 1.107 62 L HN -0.161 nan 8.230 nan 0.000 0.487 63 P HA 0.031 nan 4.420 nan 0.000 0.271 63 P C -0.718 176.651 177.300 0.115 0.000 1.216 63 P CA -0.230 62.921 63.100 0.085 0.000 0.776 63 P CB 1.011 32.735 31.700 0.040 0.000 0.881 64 V N 4.314 124.255 119.914 0.045 0.000 2.432 64 V HA 0.052 4.062 4.120 -0.182 0.000 0.271 64 V C 1.493 177.537 176.094 -0.084 0.000 1.046 64 V CA 0.101 62.344 62.300 -0.096 0.000 0.945 64 V CB 1.097 32.834 31.823 -0.143 0.000 0.992 64 V HN 0.531 nan 8.190 nan 0.000 0.471 65 V N 1.871 121.722 119.914 -0.106 0.000 3.380 65 V HA 0.852 4.862 4.120 -0.182 0.000 0.307 65 V C 0.511 176.557 176.094 -0.080 0.000 1.434 65 V CA 0.602 62.863 62.300 -0.066 0.000 1.075 65 V CB -0.022 31.783 31.823 -0.031 0.000 0.954 65 V HN 1.027 nan 8.190 nan 0.000 0.444 66 G N -0.685 108.040 108.800 -0.125 0.000 2.320 66 G HA2 0.516 4.366 3.960 -0.182 0.000 0.296 66 G HA3 0.516 4.366 3.960 -0.182 0.000 0.296 66 G C -1.450 173.358 174.900 -0.152 0.000 1.306 66 G CA 0.004 45.038 45.100 -0.111 0.000 0.836 66 G HN 0.338 nan 8.290 nan 0.000 0.517 67 S N -0.701 114.928 115.700 -0.118 0.000 2.619 67 S HA 0.682 5.043 4.470 -0.182 0.000 0.280 67 S C -1.440 173.103 174.600 -0.095 0.000 1.150 67 S CA -0.444 57.680 58.200 -0.126 0.000 0.978 67 S CB 1.670 64.809 63.200 -0.102 0.000 1.041 67 S HN 0.936 nan 8.310 nan 0.000 0.485 68 L N 3.092 124.253 121.223 -0.102 0.000 2.409 68 L HA 0.577 4.808 4.340 -0.182 0.000 0.272 68 L C -0.306 176.529 176.870 -0.058 0.000 0.980 68 L CA 0.127 54.925 54.840 -0.070 0.000 0.826 68 L CB 1.356 43.377 42.059 -0.065 0.000 1.268 68 L HN 0.736 nan 8.230 nan 0.000 0.407 69 D N 4.134 124.512 120.400 -0.036 0.000 2.701 69 D HA -0.183 4.347 4.640 -0.182 0.000 0.235 69 D C 1.108 177.396 176.300 -0.020 0.000 1.155 69 D CA 1.919 55.909 54.000 -0.017 0.000 0.649 69 D CB -0.830 39.972 40.800 0.004 0.000 1.050 69 D HN 1.255 nan 8.370 nan 0.000 0.425 70 G N -0.787 107.990 108.800 -0.038 0.000 2.195 70 G HA2 -0.293 3.557 3.960 -0.182 0.000 0.246 70 G HA3 -0.293 3.557 3.960 -0.182 0.000 0.246 70 G C 0.122 174.978 174.900 -0.073 0.000 0.984 70 G CA 0.788 45.864 45.100 -0.041 0.000 0.633 70 G HN 0.877 nan 8.290 nan 0.000 0.525 71 Q N -0.144 119.588 119.800 -0.113 0.000 2.496 71 Q HA 0.794 5.025 4.340 -0.182 0.000 0.286 71 Q C -0.418 175.443 176.000 -0.231 0.000 1.103 71 Q CA -0.625 55.072 55.803 -0.177 0.000 0.813 71 Q CB 1.478 30.064 28.738 -0.253 0.000 1.444 71 Q HN 0.144 nan 8.270 nan 0.000 0.443 72 S N 0.658 116.163 115.700 -0.324 0.000 2.580 72 S HA 0.368 4.728 4.470 -0.182 0.000 0.274 72 S C -0.009 174.248 174.600 -0.571 0.000 1.329 72 S CA -0.488 57.407 58.200 -0.508 0.000 1.036 72 S CB 0.187 62.884 63.200 -0.837 0.000 0.919 72 S HN 0.406 nan 8.310 nan 0.000 0.515 73 I N 2.849 123.138 120.570 -0.468 0.000 2.321 73 I HA 0.285 4.346 4.170 -0.182 0.000 0.291 73 I C -1.091 174.798 176.117 -0.379 0.000 0.998 73 I CA -0.501 60.618 61.300 -0.301 0.000 1.227 73 I CB 0.667 38.575 38.000 -0.154 0.000 1.368 73 I HN 0.549 nan 8.210 nan 0.000 0.466 74 Y N 3.876 124.138 120.300 -0.063 0.000 2.323 74 Y HA 0.513 4.953 4.550 -0.182 0.000 0.331 74 Y C 0.948 176.834 175.900 -0.024 0.000 1.092 74 Y CA -0.593 57.478 58.100 -0.049 0.000 1.150 74 Y CB 1.647 40.072 38.460 -0.058 0.000 1.200 74 Y HN 0.553 nan 8.280 nan 0.000 0.472 75 G N 2.892 111.765 108.800 0.121 0.000 2.372 75 G HA2 0.433 4.283 3.960 -0.182 0.000 0.283 75 G HA3 0.433 4.283 3.960 -0.182 0.000 0.283 75 G C 0.146 175.086 174.900 0.066 0.000 1.177 75 G CA -0.416 44.728 45.100 0.072 0.000 0.842 75 G HN 0.803 nan 8.290 nan 0.000 0.503 76 L N 0.975 122.229 121.223 0.052 0.000 2.433 76 L HA 0.290 4.521 4.340 -0.182 0.000 0.200 76 L C 1.585 178.464 176.870 0.015 0.000 1.059 76 L CA 0.847 55.700 54.840 0.022 0.000 0.835 76 L CB 0.242 42.306 42.059 0.008 0.000 1.076 76 L HN 0.718 nan 8.230 nan 0.000 0.481 77 T N -5.257 109.316 114.554 0.033 0.000 2.778 77 T HA 0.148 4.388 4.350 -0.182 0.000 0.293 77 T C 0.410 175.138 174.700 0.047 0.000 1.144 77 T CA -0.626 61.496 62.100 0.036 0.000 1.010 77 T CB 2.024 70.919 68.868 0.045 0.000 1.325 77 T HN 0.077 nan 8.240 nan 0.000 0.515 78 E N -0.019 120.210 120.200 0.048 0.000 2.265 78 E HA -0.134 4.106 4.350 -0.182 0.000 0.196 78 E C 1.297 177.936 176.600 0.065 0.000 0.996 78 E CA 1.306 57.734 56.400 0.048 0.000 0.832 78 E CB 0.057 29.784 29.700 0.044 0.000 0.756 78 E HN 0.734 nan 8.360 nan 0.000 0.491 79 E N -0.634 119.623 120.200 0.096 0.000 2.431 79 E HA 0.096 4.337 4.350 -0.182 0.000 0.200 79 E C -0.360 176.289 176.600 0.082 0.000 0.995 79 E CA -0.052 56.424 56.400 0.127 0.000 0.915 79 E CB 1.574 31.429 29.700 0.260 0.000 0.930 79 E HN -0.029 nan 8.360 nan 0.000 0.496 80 V N 0.781 120.748 119.914 0.088 0.000 2.656 80 V HA 0.640 4.651 4.120 -0.182 0.000 0.307 80 V C 0.241 176.382 176.094 0.077 0.000 1.051 80 V CA -0.787 61.559 62.300 0.078 0.000 0.893 80 V CB 1.751 33.660 31.823 0.143 0.000 0.999 80 V HN 0.188 nan 8.190 nan 0.000 0.426 81 G N 3.103 111.949 108.800 0.077 0.000 3.105 81 G HA2 0.886 4.736 3.960 -0.182 0.000 0.277 81 G HA3 0.886 4.736 3.960 -0.182 0.000 0.277 81 G C -1.625 173.342 174.900 0.111 0.000 1.375 81 G CA -0.757 44.392 45.100 0.082 0.000 0.962 81 G HN 0.575 nan 8.290 nan 0.000 0.541 82 L N -0.513 120.781 121.223 0.118 0.000 2.466 82 L HA 0.507 4.738 4.340 -0.182 0.000 0.258 82 L C -0.928 176.004 176.870 0.104 0.000 0.973 82 L CA -0.706 54.211 54.840 0.129 0.000 0.826 82 L CB 2.531 44.682 42.059 0.155 0.000 1.372 82 L HN 0.239 nan 8.230 nan 0.000 0.409 83 L N 3.300 124.553 121.223 0.050 0.000 2.317 83 L HA 0.635 4.866 4.340 -0.182 0.000 0.281 83 L C -0.723 176.033 176.870 -0.191 0.000 1.024 83 L CA -0.504 54.257 54.840 -0.132 0.000 0.810 83 L CB 1.982 43.960 42.059 -0.135 0.000 1.240 83 L HN 0.436 nan 8.230 nan 0.000 0.427 84 I N 1.376 121.705 120.570 -0.401 0.000 2.647 84 I HA 0.432 4.492 4.170 -0.182 0.000 0.295 84 I C -1.124 174.657 176.117 -0.561 0.000 1.078 84 I CA -0.559 60.563 61.300 -0.297 0.000 1.048 84 I CB 2.617 40.515 38.000 -0.170 0.000 1.239 84 I HN 0.452 nan 8.210 nan 0.000 0.421 85 W N 6.033 127.185 121.300 -0.247 0.000 2.739 85 W HA 0.625 5.176 4.660 -0.182 0.000 0.331 85 W C -0.837 175.638 176.519 -0.073 0.000 1.049 85 W CA -0.591 56.654 57.345 -0.167 0.000 1.234 85 W CB 2.151 31.440 29.460 -0.284 0.000 1.404 85 W HN 0.208 nan 8.180 nan 0.000 0.477 86 M N 1.808 121.520 119.600 0.187 0.000 2.572 86 M HA 0.773 5.144 4.480 -0.182 0.000 0.299 86 M C 0.271 176.688 176.300 0.196 0.000 1.205 86 M CA -0.270 55.114 55.300 0.140 0.000 0.876 86 M CB 2.990 35.638 32.600 0.080 0.000 1.728 86 M HN 0.566 nan 8.290 nan 0.000 0.458 87 G N 0.520 109.426 108.800 0.178 0.000 2.356 87 G HA2 0.187 4.037 3.960 -0.182 0.000 0.281 87 G HA3 0.187 4.037 3.960 -0.182 0.000 0.281 87 G C -2.085 172.868 174.900 0.088 0.000 1.246 87 G CA -0.694 44.513 45.100 0.178 0.000 0.889 87 G HN 0.580 nan 8.290 nan 0.000 0.486 88 D N -0.638 119.725 120.400 -0.062 0.000 2.369 88 D HA 0.415 4.946 4.640 -0.182 0.000 0.241 88 D C 2.066 178.233 176.300 -0.221 0.000 1.271 88 D CA 0.749 54.553 54.000 -0.327 0.000 0.942 88 D CB 0.666 40.955 40.800 -0.851 0.000 1.129 88 D HN 0.308 nan 8.370 nan 0.000 0.476 89 T N 0.469 114.870 114.554 -0.255 0.000 2.594 89 T HA -0.213 4.027 4.350 -0.182 0.000 0.266 89 T C 0.517 175.017 174.700 -0.333 0.000 1.070 89 T CA 1.274 63.223 62.100 -0.251 0.000 1.166 89 T CB -0.533 68.199 68.868 -0.227 0.000 0.862 89 T HN 0.447 nan 8.240 nan 0.000 0.436 90 N N 0.920 119.453 118.700 -0.277 0.000 2.483 90 N HA 0.077 4.708 4.740 -0.182 0.000 0.264 90 N C 0.539 175.920 175.510 -0.214 0.000 1.197 90 N CA 0.142 53.036 53.050 -0.260 0.000 0.927 90 N CB 0.395 38.785 38.487 -0.162 0.000 1.065 90 N HN 0.435 nan 8.380 nan 0.000 0.461 91 Y N 0.881 121.040 120.300 -0.235 0.000 2.256 91 Y HA -0.258 4.211 4.550 -0.136 0.000 0.288 91 Y C 2.544 178.338 175.900 -0.177 0.000 1.155 91 Y CA 1.213 59.151 58.100 -0.270 0.000 1.203 91 Y CB 0.058 38.151 38.460 -0.612 0.000 0.980 91 Y HN 0.584 nan 8.280 nan 0.000 0.530 92 S N 0.284 115.990 115.700 0.010 0.000 2.507 92 S HA -0.119 4.241 4.470 -0.182 0.000 0.235 92 S C 1.419 176.034 174.600 0.025 0.000 0.988 92 S CA 0.665 58.865 58.200 -0.001 0.000 0.944 92 S CB -0.249 62.946 63.200 -0.008 0.000 0.762 92 S HN 0.433 nan 8.310 nan 0.000 0.526 93 R N 1.185 121.705 120.500 0.033 0.000 2.466 93 R HA 0.273 4.503 4.340 -0.182 0.000 0.279 93 R C 0.949 177.331 176.300 0.136 0.000 0.976 93 R CA 0.076 56.215 56.100 0.066 0.000 1.081 93 R CB 0.283 30.593 30.300 0.017 0.000 1.215 93 R HN 0.440 nan 8.270 nan 0.000 0.546 94 G N 0.668 109.584 108.800 0.193 0.000 2.491 94 G HA2 0.054 3.905 3.960 -0.182 0.000 0.238 94 G HA3 0.054 3.905 3.960 -0.182 0.000 0.238 94 G C -0.272 174.863 174.900 0.392 0.000 1.277 94 G CA 0.062 45.354 45.100 0.320 0.000 0.851 94 G HN -0.018 nan 8.290 nan 0.000 0.573 95 T N 1.259 116.021 114.554 0.347 0.000 2.767 95 T HA 0.533 4.774 4.350 -0.182 0.000 0.284 95 T C 0.663 175.477 174.700 0.190 0.000 0.973 95 T CA 0.010 62.273 62.100 0.273 0.000 0.996 95 T CB 1.457 70.438 68.868 0.188 0.000 0.927 95 T HN 0.854 nan 8.240 nan 0.000 0.456 96 A N 5.435 128.307 122.820 0.087 0.000 2.524 96 A HA 0.433 4.644 4.320 -0.182 0.000 0.250 96 A C 0.497 177.946 177.584 -0.226 0.000 1.078 96 A CA -0.256 51.559 52.037 -0.370 0.000 0.761 96 A CB -0.121 18.732 19.000 -0.244 0.000 1.012 96 A HN 0.686 nan 8.150 nan 0.000 0.500 97 M N 2.080 121.509 119.600 -0.286 0.000 2.233 97 M HA 0.406 4.776 4.480 -0.182 0.000 0.355 97 M C -0.018 176.281 176.300 -0.002 0.000 1.191 97 M CA 0.284 55.544 55.300 -0.067 0.000 1.101 97 M CB 0.859 33.449 32.600 -0.018 0.000 1.592 97 M HN 0.603 nan 8.290 nan 0.000 0.461 98 S N 0.709 116.430 115.700 0.035 0.000 2.541 98 S HA 0.850 5.211 4.470 -0.182 0.000 0.280 98 S C 0.047 174.678 174.600 0.052 0.000 1.112 98 S CA -0.088 58.100 58.200 -0.021 0.000 0.925 98 S CB 2.114 65.275 63.200 -0.064 0.000 1.067 98 S HN 1.154 nan 8.310 nan 0.000 0.479 99 G N 2.718 111.527 108.800 0.014 0.000 2.796 99 G HA2 -0.221 3.629 3.960 -0.182 0.000 0.226 99 G HA3 -0.221 3.629 3.960 -0.182 0.000 0.226 99 G C -0.306 174.677 174.900 0.138 0.000 1.381 99 G CA -0.005 45.125 45.100 0.051 0.000 0.867 99 G HN 0.758 nan 8.290 nan 0.000 0.552 100 N N -0.214 118.516 118.700 0.050 0.000 2.200 100 N HA 0.376 5.006 4.740 -0.182 0.000 0.224 100 N C 0.290 175.737 175.510 -0.105 0.000 1.179 100 N CA 0.311 53.352 53.050 -0.015 0.000 0.877 100 N CB 0.826 39.305 38.487 -0.013 0.000 1.072 100 N HN 0.497 nan 8.380 nan 0.000 0.519 101 S N -0.267 115.396 115.700 -0.061 0.000 2.713 101 S HA 0.307 4.667 4.470 -0.182 0.000 0.283 101 S C -0.426 174.140 174.600 -0.057 0.000 1.161 101 S CA -0.728 57.438 58.200 -0.057 0.000 0.999 101 S CB 0.825 64.045 63.200 0.034 0.000 1.039 101 S HN 0.195 nan 8.310 nan 0.000 0.548 102 W N 1.923 123.243 121.300 0.034 0.000 2.251 102 W HA 0.233 4.781 4.660 -0.187 0.000 0.327 102 W C 0.619 177.159 176.519 0.036 0.000 1.361 102 W CA 0.082 57.450 57.345 0.039 0.000 1.234 102 W CB 0.386 29.868 29.460 0.036 0.000 1.212 102 W HN 0.394 nan 8.180 nan 0.000 0.557 103 E N 2.504 122.890 120.200 0.310 0.000 2.238 103 E HA 0.083 4.323 4.350 -0.182 0.000 0.267 103 E C -0.720 175.997 176.600 0.194 0.000 0.887 103 E CA -1.203 55.313 56.400 0.192 0.000 0.769 103 E CB 1.472 31.248 29.700 0.126 0.000 1.187 103 E HN 0.250 nan 8.360 nan 0.000 0.416 104 N N 2.108 120.885 118.700 0.128 0.000 2.406 104 N HA 0.001 4.631 4.740 -0.182 0.000 0.265 104 N C 0.586 176.175 175.510 0.132 0.000 1.203 104 N CA 0.141 53.252 53.050 0.101 0.000 0.945 104 N CB 0.549 39.057 38.487 0.035 0.000 1.165 104 N HN 0.327 nan 8.380 nan 0.000 0.485 105 V N 1.772 121.800 119.914 0.190 0.000 3.643 105 V HA 0.435 4.446 4.120 -0.182 0.000 0.280 105 V C -0.077 176.206 176.094 0.315 0.000 1.351 105 V CA -0.017 62.418 62.300 0.224 0.000 1.073 105 V CB -0.675 31.286 31.823 0.230 0.000 0.863 105 V HN 0.371 nan 8.190 nan 0.000 0.436 106 F N 1.430 121.447 119.950 0.112 0.000 2.787 106 F HA 0.577 5.035 4.527 -0.115 0.000 0.340 106 F C 1.043 176.894 175.800 0.086 0.000 1.232 106 F CA -0.717 57.350 58.000 0.112 0.000 1.051 106 F CB 1.570 40.659 39.000 0.148 0.000 1.330 106 F HN 0.052 nan 8.300 nan 0.000 0.522 107 S N 3.400 118.917 115.700 -0.305 0.000 2.402 107 S HA 0.321 4.681 4.470 -0.182 0.000 0.233 107 S C 1.065 175.255 174.600 -0.683 0.000 1.030 107 S CA 0.814 58.769 58.200 -0.409 0.000 1.003 107 S CB -1.042 62.021 63.200 -0.229 0.000 0.813 107 S HN 2.178 nan 8.310 nan 0.000 0.477 108 G N 0.122 108.101 108.800 -1.368 0.000 2.555 108 G HA2 0.197 4.047 3.960 -0.182 0.000 0.686 108 G HA3 0.197 4.047 3.960 -0.182 0.000 0.686 108 G C -0.790 174.099 174.900 -0.017 0.000 1.275 108 G CA -0.469 44.176 45.100 -0.758 0.000 0.871 108 G HN 1.212 nan 8.290 nan 0.000 0.603 109 W N -1.486 119.879 121.300 0.109 0.000 3.025 109 W HA 0.679 5.273 4.660 -0.110 0.000 0.343 109 W C -1.052 175.521 176.519 0.090 0.000 1.246 109 W CA -1.443 56.009 57.345 0.178 0.000 1.178 109 W CB 0.711 30.324 29.460 0.256 0.000 1.463 109 W HN 1.131 nan 8.180 nan 0.000 0.578 110 c N 2.443 120.953 118.600 -0.151 0.000 2.340 110 c HA 0.532 4.992 4.570 -0.182 0.000 0.323 110 c C 0.677 174.414 174.090 -0.589 0.000 1.260 110 c CA -0.548 55.481 56.329 -0.500 0.000 1.464 110 c CB 0.776 43.117 42.510 -0.282 0.000 2.156 110 c HN 0.503 nan 8.230 nan 0.000 0.476 111 V N 4.112 123.468 119.914 -0.931 0.000 3.003 111 V HA 0.670 4.680 4.120 -0.182 0.000 0.305 111 V C 0.921 176.742 176.094 -0.454 0.000 1.078 111 V CA 0.982 62.804 62.300 -0.796 0.000 1.083 111 V CB 1.411 32.730 31.823 -0.841 0.000 1.039 111 V HN 1.062 nan 8.190 nan 0.000 0.481 112 G N 2.962 111.489 108.800 -0.456 0.000 2.714 112 G HA2 0.151 4.002 3.960 -0.182 0.000 0.197 112 G HA3 0.151 4.002 3.960 -0.182 0.000 0.197 112 G C 0.017 174.793 174.900 -0.206 0.000 1.449 112 G CA -0.498 44.540 45.100 -0.104 0.000 1.065 112 G HN 0.800 nan 8.290 nan 0.000 0.575 113 N N 0.350 119.094 118.700 0.073 0.000 3.250 113 N HA 0.365 4.996 4.740 -0.182 0.000 0.307 113 N C -1.170 174.439 175.510 0.164 0.000 1.355 113 N CA -0.251 52.830 53.050 0.052 0.000 1.192 113 N CB 0.004 38.533 38.487 0.070 0.000 1.478 113 N HN 0.498 nan 8.380 nan 0.000 0.543 114 Y N -3.679 116.633 120.300 0.020 0.000 2.744 114 Y HA 0.624 5.059 4.550 -0.191 0.000 0.330 114 Y C -1.023 174.897 175.900 0.034 0.000 1.263 114 Y CA -1.434 56.685 58.100 0.031 0.000 1.065 114 Y CB 0.509 38.998 38.460 0.049 0.000 1.306 114 Y HN -0.301 nan 8.280 nan 0.000 0.459 115 V N 1.495 121.509 119.914 0.167 0.000 2.472 115 V HA 0.727 4.738 4.120 -0.182 0.000 0.290 115 V C -0.107 176.099 176.094 0.187 0.000 1.037 115 V CA 0.081 62.425 62.300 0.073 0.000 0.908 115 V CB 0.804 32.673 31.823 0.078 0.000 0.985 115 V HN 0.941 nan 8.190 nan 0.000 0.454 116 S N 2.350 118.121 115.700 0.120 0.000 2.973 116 S HA 0.843 5.204 4.470 -0.182 0.000 0.317 116 S C -0.505 174.226 174.600 0.218 0.000 1.196 116 S CA 0.194 58.548 58.200 0.257 0.000 0.894 116 S CB 2.195 65.689 63.200 0.491 0.000 1.292 116 S HN 1.067 nan 8.310 nan 0.000 0.614 117 T N 0.178 114.919 114.554 0.312 0.000 2.864 117 T HA 0.720 4.960 4.350 -0.182 0.000 0.299 117 T C -1.528 173.424 174.700 0.420 0.000 1.166 117 T CA -0.655 61.611 62.100 0.278 0.000 1.007 117 T CB 1.693 70.656 68.868 0.158 0.000 1.219 117 T HN 0.508 nan 8.240 nan 0.000 0.506 118 Q N 0.056 120.109 119.800 0.422 0.000 2.330 118 Q HA 0.720 4.950 4.340 -0.182 0.000 0.269 118 Q C -0.241 176.009 176.000 0.417 0.000 1.022 118 Q CA -0.279 55.833 55.803 0.515 0.000 0.796 118 Q CB 1.513 30.622 28.738 0.620 0.000 1.271 118 Q HN 1.167 nan 8.270 nan 0.000 0.450 119 G N 1.968 110.919 108.800 0.253 0.000 3.075 119 G HA2 0.815 4.666 3.960 -0.182 0.000 0.253 119 G HA3 0.815 4.666 3.960 -0.182 0.000 0.253 119 G C -1.389 173.620 174.900 0.183 0.000 1.353 119 G CA -0.329 44.865 45.100 0.157 0.000 1.051 119 G HN 0.849 nan 8.290 nan 0.000 0.553 120 L N -2.804 118.485 121.223 0.110 0.000 2.940 120 L HA 0.878 5.109 4.340 -0.182 0.000 0.270 120 L C -0.455 176.433 176.870 0.030 0.000 1.030 120 L CA -0.915 54.009 54.840 0.140 0.000 0.928 120 L CB 1.455 43.730 42.059 0.360 0.000 1.506 120 L HN 1.119 nan 8.230 nan 0.000 0.405 121 S N -0.684 115.031 115.700 0.024 0.000 2.565 121 S HA 0.976 5.337 4.470 -0.182 0.000 0.269 121 S C -1.437 173.201 174.600 0.064 0.000 1.153 121 S CA -0.500 57.670 58.200 -0.050 0.000 0.835 121 S CB 1.839 64.842 63.200 -0.328 0.000 1.122 121 S HN 1.236 nan 8.310 nan 0.000 0.462 122 V N 3.604 123.608 119.914 0.150 0.000 2.851 122 V HA 0.705 4.715 4.120 -0.182 0.000 0.307 122 V C -1.119 175.178 176.094 0.339 0.000 1.129 122 V CA -0.506 61.847 62.300 0.088 0.000 0.932 122 V CB 1.799 33.386 31.823 -0.393 0.000 1.024 122 V HN 1.241 nan 8.190 nan 0.000 0.426 123 H N 2.883 122.077 119.070 0.207 0.000 3.012 123 H HA 0.888 5.336 4.556 -0.181 0.000 0.367 123 H C -1.600 173.881 175.328 0.255 0.000 1.211 123 H CA -0.792 55.349 56.048 0.155 0.000 1.139 123 H CB 1.988 31.734 29.762 -0.027 0.000 1.838 123 H HN 0.706 nan 8.280 nan 0.000 0.550 124 V N 0.377 120.387 119.914 0.160 0.000 3.040 124 V HA 0.753 4.763 4.120 -0.182 0.000 0.312 124 V C -0.686 175.507 176.094 0.165 0.000 1.115 124 V CA -1.160 61.236 62.300 0.161 0.000 0.998 124 V CB 2.419 34.314 31.823 0.119 0.000 1.042 124 V HN 0.858 nan 8.190 nan 0.000 0.433 125 R N 2.314 122.943 120.500 0.215 0.000 2.513 125 R HA 0.569 4.800 4.340 -0.182 0.000 0.301 125 R C -2.921 173.410 176.300 0.052 0.000 0.968 125 R CA -1.843 54.325 56.100 0.113 0.000 0.872 125 R CB 2.509 32.945 30.300 0.227 0.000 1.177 125 R HN 0.550 nan 8.270 nan 0.000 0.444 126 P HA 0.053 nan 4.420 nan 0.000 0.269 126 P C -0.892 176.436 177.300 0.048 0.000 1.209 126 P CA -0.212 62.837 63.100 -0.085 0.000 0.776 126 P CB 0.780 32.203 31.700 -0.461 0.000 0.876 127 V N 4.456 124.410 119.914 0.068 0.000 2.638 127 V HA 0.305 4.316 4.120 -0.182 0.000 0.306 127 V C -0.116 176.017 176.094 0.066 0.000 1.052 127 V CA -0.659 61.700 62.300 0.098 0.000 0.885 127 V CB 1.967 33.823 31.823 0.055 0.000 0.999 127 V HN 0.372 nan 8.190 nan 0.000 0.424 128 I N 5.556 126.189 120.570 0.106 0.000 2.325 128 I HA 0.295 4.356 4.170 -0.182 0.000 0.291 128 I C 0.837 176.952 176.117 -0.004 0.000 1.019 128 I CA 0.225 61.484 61.300 -0.069 0.000 1.302 128 I CB 1.337 39.232 38.000 -0.175 0.000 1.401 128 I HN 0.596 nan 8.210 nan 0.000 0.485 129 L N 4.987 126.199 121.223 -0.018 0.000 2.357 129 L HA 0.207 4.438 4.340 -0.182 0.000 0.211 129 L C 0.853 177.740 176.870 0.029 0.000 1.075 129 L CA 0.452 55.302 54.840 0.017 0.000 0.830 129 L CB 0.093 42.166 42.059 0.022 0.000 0.996 129 L HN 0.518 nan 8.230 nan 0.000 0.467 130 K N 0.420 120.843 120.400 0.038 0.000 2.550 130 K HA 0.393 4.603 4.320 -0.182 0.000 0.252 130 K C -0.919 175.776 176.600 0.159 0.000 0.943 130 K CA -0.608 55.727 56.287 0.080 0.000 0.806 130 K CB 1.945 34.495 32.500 0.083 0.000 1.289 130 K HN -0.099 nan 8.250 nan 0.000 0.435 131 R N 1.768 122.367 120.500 0.165 0.000 2.560 131 R HA 0.221 4.452 4.340 -0.182 0.000 0.270 131 R C -0.069 176.376 176.300 0.243 0.000 1.074 131 R CA -0.530 55.744 56.100 0.290 0.000 1.140 131 R CB 0.470 30.876 30.300 0.176 0.000 1.073 131 R HN 0.728 nan 8.270 nan 0.000 0.527 132 N N -1.938 116.884 118.700 0.203 0.000 2.380 132 N HA 0.091 4.722 4.740 -0.182 0.000 0.290 132 N C 0.148 175.643 175.510 -0.025 0.000 1.236 132 N CA -0.852 52.212 53.050 0.024 0.000 0.780 132 N CB 1.333 39.768 38.487 -0.086 0.000 1.438 132 N HN 0.405 nan 8.380 nan 0.000 0.491 133 S N -0.721 114.959 115.700 -0.033 0.000 2.447 133 S HA -0.115 4.246 4.470 -0.182 0.000 0.233 133 S C 1.066 175.632 174.600 -0.056 0.000 1.006 133 S CA 0.922 59.103 58.200 -0.031 0.000 0.957 133 S CB -0.710 62.477 63.200 -0.022 0.000 0.773 133 S HN 0.508 nan 8.310 nan 0.000 0.507 134 S N 1.325 116.961 115.700 -0.106 0.000 2.527 134 S HA 0.517 4.877 4.470 -0.182 0.000 0.222 134 S C 1.200 175.719 174.600 -0.135 0.000 0.985 134 S CA 0.482 58.612 58.200 -0.116 0.000 0.921 134 S CB -0.352 62.767 63.200 -0.135 0.000 0.772 134 S HN 1.241 nan 8.310 nan 0.000 0.529 135 A N 0.815 123.532 122.820 -0.171 0.000 2.832 135 A HA -0.225 3.985 4.320 -0.182 0.000 0.280 135 A C 0.278 177.786 177.584 -0.127 0.000 1.464 135 A CA 1.238 53.224 52.037 -0.084 0.000 0.804 135 A CB -1.859 17.144 19.000 0.005 0.000 1.020 135 A HN 0.582 nan 8.150 nan 0.000 0.563 136 Q N -1.390 118.135 119.800 -0.458 0.000 2.309 136 Q HA 0.676 4.906 4.340 -0.182 0.000 0.273 136 Q C -1.816 173.821 176.000 -0.606 0.000 1.040 136 Q CA -0.730 54.906 55.803 -0.279 0.000 0.834 136 Q CB 1.462 30.131 28.738 -0.115 0.000 1.345 136 Q HN 0.609 nan 8.270 nan 0.000 0.414 137 Y N 0.433 120.775 120.300 0.071 0.000 2.346 137 Y HA 0.504 4.945 4.550 -0.182 0.000 0.332 137 Y C -0.516 175.457 175.900 0.122 0.000 0.985 137 Y CA -0.647 57.501 58.100 0.081 0.000 1.112 137 Y CB 2.527 41.035 38.460 0.079 0.000 1.170 137 Y HN 0.413 nan 8.280 nan 0.000 0.447 138 S N 2.233 118.042 115.700 0.182 0.000 2.536 138 S HA 0.841 5.201 4.470 -0.182 0.000 0.298 138 S C -0.906 173.713 174.600 0.032 0.000 1.083 138 S CA -0.812 57.470 58.200 0.137 0.000 0.995 138 S CB 2.010 65.254 63.200 0.074 0.000 1.058 138 S HN 0.321 nan 8.310 nan 0.000 0.488 139 V N 3.570 123.411 119.914 -0.123 0.000 2.709 139 V HA 0.431 4.442 4.120 -0.182 0.000 0.308 139 V C -0.117 175.828 176.094 -0.248 0.000 1.062 139 V CA -0.978 61.174 62.300 -0.248 0.000 0.901 139 V CB 1.950 33.480 31.823 -0.487 0.000 1.003 139 V HN 0.934 nan 8.190 nan 0.000 0.425 140 Q N 2.905 122.615 119.800 -0.150 0.000 2.407 140 Q HA 0.301 4.531 4.340 -0.182 0.000 0.214 140 Q C -0.078 175.848 176.000 -0.122 0.000 1.043 140 Q CA -0.683 55.057 55.803 -0.105 0.000 0.983 140 Q CB 1.118 29.820 28.738 -0.060 0.000 1.211 140 Q HN 0.634 nan 8.270 nan 0.000 0.564 141 K N 0.369 120.725 120.400 -0.073 0.000 2.484 141 K HA 0.076 4.287 4.320 -0.182 0.000 0.280 141 K C -1.008 175.560 176.600 -0.055 0.000 1.013 141 K CA 0.600 56.855 56.287 -0.054 0.000 1.029 141 K CB 0.240 32.728 32.500 -0.021 0.000 0.902 141 K HN 0.624 nan 8.250 nan 0.000 0.481 142 T N 2.319 116.842 114.554 -0.052 0.000 2.952 142 T HA 0.084 4.325 4.350 -0.182 0.000 0.305 142 T C -0.954 173.734 174.700 -0.021 0.000 1.064 142 T CA -0.741 61.333 62.100 -0.043 0.000 1.008 142 T CB 1.637 70.468 68.868 -0.062 0.000 1.078 142 T HN 0.551 nan 8.240 nan 0.000 0.459 143 S N 1.926 117.614 115.700 -0.020 0.000 2.537 143 S HA 0.245 4.605 4.470 -0.182 0.000 0.286 143 S C 1.082 175.672 174.600 -0.016 0.000 1.299 143 S CA -0.405 57.788 58.200 -0.013 0.000 1.067 143 S CB -0.171 63.015 63.200 -0.022 0.000 0.864 143 S HN 0.574 nan 8.310 nan 0.000 0.494 144 I N 3.919 124.494 120.570 0.008 0.000 2.681 144 I HA 0.378 4.439 4.170 -0.182 0.000 0.247 144 I C 1.451 177.530 176.117 -0.063 0.000 1.091 144 I CA 0.550 61.835 61.300 -0.025 0.000 1.442 144 I CB -0.158 37.857 38.000 0.025 0.000 1.219 144 I HN 0.801 nan 8.210 nan 0.000 0.451 145 G N -0.541 108.274 108.800 0.026 0.000 2.399 145 G HA2 0.378 4.228 3.960 -0.182 0.000 0.256 145 G HA3 0.378 4.228 3.960 -0.182 0.000 0.256 145 G C -1.423 173.562 174.900 0.141 0.000 1.236 145 G CA -0.254 44.841 45.100 -0.008 0.000 0.914 145 G HN 0.085 nan 8.290 nan 0.000 0.482 146 S N -1.287 114.502 115.700 0.147 0.000 2.671 146 S HA 0.808 5.169 4.470 -0.182 0.000 0.277 146 S C -1.186 173.729 174.600 0.524 0.000 1.165 146 S CA -0.555 57.836 58.200 0.319 0.000 0.822 146 S CB 1.863 65.206 63.200 0.237 0.000 1.150 146 S HN 0.694 nan 8.310 nan 0.000 0.479 147 I N 1.660 122.638 120.570 0.679 0.000 2.619 147 I HA 0.533 4.593 4.170 -0.182 0.000 0.292 147 I C -0.631 175.857 176.117 0.619 0.000 1.100 147 I CA -0.683 61.045 61.300 0.713 0.000 1.043 147 I CB 2.206 40.642 38.000 0.727 0.000 1.239 147 I HN 0.658 nan 8.210 nan 0.000 0.420 148 R N 5.661 126.423 120.500 0.436 0.000 2.795 148 R HA 0.761 4.991 4.340 -0.182 0.000 0.275 148 R C -1.002 175.288 176.300 -0.017 0.000 0.981 148 R CA -1.002 55.197 56.100 0.166 0.000 0.917 148 R CB 2.002 32.148 30.300 -0.256 0.000 1.202 148 R HN 0.609 nan 8.270 nan 0.000 0.469 149 M N 0.894 120.295 119.600 -0.331 0.000 2.242 149 M HA 0.372 4.743 4.480 -0.182 0.000 0.344 149 M C -0.228 175.904 176.300 -0.279 0.000 1.140 149 M CA -0.149 54.823 55.300 -0.546 0.000 1.160 149 M CB 1.150 33.005 32.600 -1.242 0.000 1.491 149 M HN 0.670 nan 8.290 nan 0.000 0.459 150 R N 3.028 123.439 120.500 -0.148 0.000 2.363 150 R HA 0.522 4.752 4.340 -0.182 0.000 0.297 150 R C -2.909 173.372 176.300 -0.031 0.000 1.208 150 R CA -1.638 54.402 56.100 -0.100 0.000 1.121 150 R CB 1.045 31.304 30.300 -0.070 0.000 1.124 150 R HN 0.456 nan 8.270 nan 0.000 0.561 151 P HA 0.098 nan 4.420 nan 0.000 0.272 151 P C -1.469 175.760 177.300 -0.119 0.000 1.223 151 P CA 0.114 63.078 63.100 -0.225 0.000 0.784 151 P CB 0.401 31.936 31.700 -0.275 0.000 0.923 152 Y N -1.374 118.710 120.300 -0.361 0.000 2.728 152 Y HA 0.523 4.960 4.550 -0.188 0.000 0.330 152 Y C 0.024 175.757 175.900 -0.278 0.000 1.234 152 Y CA -1.330 56.612 58.100 -0.264 0.000 1.070 152 Y CB 0.243 38.581 38.460 -0.204 0.000 1.300 152 Y HN 0.195 nan 8.280 nan 0.000 0.467 153 N N 0.214 118.911 118.700 -0.005 0.000 2.714 153 N HA -0.177 4.453 4.740 -0.182 0.000 0.250 153 N C 0.870 176.273 175.510 -0.178 0.000 1.117 153 N CA 1.941 54.930 53.050 -0.102 0.000 0.719 153 N CB -1.364 37.009 38.487 -0.190 0.000 1.081 153 N HN 1.849 nan 8.380 nan 0.000 0.557 154 G N -2.580 106.121 108.800 -0.165 0.000 2.213 154 G HA2 -0.310 3.541 3.960 -0.182 0.000 0.236 154 G HA3 -0.310 3.541 3.960 -0.182 0.000 0.236 154 G C 0.264 175.027 174.900 -0.228 0.000 0.991 154 G CA 0.412 45.415 45.100 -0.162 0.000 0.629 154 G HN 0.531 nan 8.290 nan 0.000 0.517 155 S N -0.193 115.272 115.700 -0.391 0.000 2.576 155 S HA 0.548 4.909 4.470 -0.182 0.000 0.272 155 S C 0.414 174.805 174.600 -0.348 0.000 1.352 155 S CA 0.875 58.735 58.200 -0.567 0.000 1.021 155 S CB 1.560 63.968 63.200 -1.320 0.000 0.887 155 S HN 1.165 nan 8.310 nan 0.000 0.542 156 S N -0.253 115.354 115.700 -0.155 0.000 2.541 156 S HA 0.602 4.962 4.470 -0.182 0.000 0.280 156 S C 0.467 175.169 174.600 0.170 0.000 1.112 156 S CA -0.261 57.936 58.200 -0.004 0.000 0.925 156 S CB 1.346 64.544 63.200 -0.003 0.000 1.067 156 S HN 0.760 nan 8.310 nan 0.000 0.479 157 A N 3.152 126.030 122.820 0.097 0.000 2.119 157 A HA 0.479 4.690 4.320 -0.182 0.000 0.216 157 A C 1.667 179.287 177.584 0.061 0.000 1.152 157 A CA 1.306 53.399 52.037 0.093 0.000 0.708 157 A CB -1.599 17.413 19.000 0.020 0.000 0.805 157 A HN 2.099 nan 8.150 nan 0.000 0.460 158 G N -0.141 108.686 108.800 0.044 0.000 2.622 158 G HA2 -0.373 3.478 3.960 -0.182 0.000 0.307 158 G HA3 -0.373 3.478 3.960 -0.182 0.000 0.307 158 G C 1.058 175.969 174.900 0.020 0.000 1.226 158 G CA 1.624 46.741 45.100 0.029 0.000 0.997 158 G HN 1.578 nan 8.290 nan 0.000 0.551 159 S N -0.475 115.238 115.700 0.021 0.000 2.572 159 S HA 0.547 4.908 4.470 -0.182 0.000 0.228 159 S C 0.603 175.219 174.600 0.026 0.000 0.963 159 S CA 0.600 58.810 58.200 0.017 0.000 0.939 159 S CB 0.503 63.711 63.200 0.014 0.000 0.804 159 S HN 1.048 nan 8.310 nan 0.000 0.480 160 V N 2.530 122.470 119.914 0.043 0.000 2.686 160 V HA 0.213 4.224 4.120 -0.182 0.000 0.295 160 V C 0.629 176.767 176.094 0.073 0.000 1.055 160 V CA -0.608 61.739 62.300 0.078 0.000 1.050 160 V CB 1.231 33.121 31.823 0.111 0.000 0.984 160 V HN 0.570 nan 8.190 nan 0.000 0.482 161 Q N 2.070 121.898 119.800 0.047 0.000 2.263 161 Q HA -0.009 4.222 4.340 -0.182 0.000 0.289 161 Q C 1.079 177.155 176.000 0.126 0.000 1.061 161 Q CA 0.677 56.435 55.803 -0.075 0.000 0.927 161 Q CB 0.862 29.319 28.738 -0.469 0.000 1.154 161 Q HN 1.031 nan 8.270 nan 0.000 0.378 162 T N -0.661 113.945 114.554 0.087 0.000 3.015 162 T HA 0.142 4.382 4.350 -0.182 0.000 0.250 162 T C 0.390 175.259 174.700 0.282 0.000 1.057 162 T CA 0.190 62.380 62.100 0.149 0.000 1.066 162 T CB 0.470 69.325 68.868 -0.021 0.000 0.959 162 T HN 0.457 nan 8.240 nan 0.000 0.488 163 T N 2.666 117.317 114.554 0.160 0.000 2.863 163 T HA 0.699 4.939 4.350 -0.182 0.000 0.285 163 T C -0.574 174.168 174.700 0.070 0.000 1.009 163 T CA -0.640 61.578 62.100 0.197 0.000 0.989 163 T CB 2.053 71.021 68.868 0.167 0.000 1.004 163 T HN 0.431 nan 8.240 nan 0.000 0.455 164 V N 0.598 120.580 119.914 0.113 0.000 3.001 164 V HA 0.781 4.791 4.120 -0.182 0.000 0.314 164 V C -0.926 174.995 176.094 -0.289 0.000 1.099 164 V CA -1.068 61.162 62.300 -0.117 0.000 0.989 164 V CB 2.216 33.962 31.823 -0.127 0.000 1.040 164 V HN 0.781 nan 8.190 nan 0.000 0.434 165 N N 1.067 119.468 118.700 -0.498 0.000 2.402 165 N HA 0.738 5.368 4.740 -0.182 0.000 0.294 165 N C -1.558 173.391 175.510 -0.934 0.000 1.203 165 N CA -0.207 52.532 53.050 -0.518 0.000 0.838 165 N CB 2.094 40.448 38.487 -0.221 0.000 1.306 165 N HN 0.695 nan 8.380 nan 0.000 0.510 166 F N -0.204 119.721 119.950 -0.042 0.000 2.556 166 F HA 0.436 4.853 4.527 -0.184 0.000 0.314 166 F C 0.037 175.810 175.800 -0.044 0.000 1.106 166 F CA -0.585 57.379 58.000 -0.060 0.000 0.911 166 F CB 1.951 40.940 39.000 -0.018 0.000 1.190 166 F HN 0.126 nan 8.300 nan 0.000 0.448 167 S N 2.702 118.476 115.700 0.124 0.000 2.521 167 S HA 0.543 4.904 4.470 -0.182 0.000 0.295 167 S C -1.243 173.414 174.600 0.095 0.000 1.098 167 S CA -0.585 57.657 58.200 0.070 0.000 0.999 167 S CB 1.887 65.098 63.200 0.018 0.000 1.034 167 S HN 0.566 nan 8.310 nan 0.000 0.483 168 L N 4.015 125.279 121.223 0.069 0.000 2.361 168 L HA 0.361 4.592 4.340 -0.182 0.000 0.278 168 L C 0.065 176.967 176.870 0.054 0.000 1.113 168 L CA 0.040 54.928 54.840 0.081 0.000 0.849 168 L CB 0.067 42.148 42.059 0.038 0.000 1.155 168 L HN 0.493 nan 8.230 nan 0.000 0.452 169 N N 6.455 125.223 118.700 0.113 0.000 2.453 169 N HA 0.217 4.848 4.740 -0.182 0.000 0.253 169 N C -2.452 173.093 175.510 0.057 0.000 1.252 169 N CA -1.264 51.844 53.050 0.097 0.000 0.917 169 N CB 0.372 38.949 38.487 0.149 0.000 1.117 169 N HN 0.472 nan 8.380 nan 0.000 0.442 170 P HA 0.078 nan 4.420 nan 0.000 0.268 170 P C -0.971 176.393 177.300 0.105 0.000 1.205 170 P CA 0.247 63.320 63.100 -0.045 0.000 0.771 170 P CB 0.239 31.931 31.700 -0.013 0.000 0.858 171 F N -1.146 118.865 119.950 0.102 0.000 2.685 171 F HA 0.748 5.165 4.527 -0.184 0.000 0.315 171 F C -1.240 174.630 175.800 0.116 0.000 1.126 171 F CA -1.388 56.701 58.000 0.148 0.000 0.950 171 F CB 0.650 39.817 39.000 0.278 0.000 1.360 171 F HN 0.100 nan 8.300 nan 0.000 0.469 172 T N 2.642 117.521 114.554 0.543 0.000 2.881 172 T HA 0.673 4.914 4.350 -0.182 0.000 0.290 172 T C -0.938 173.922 174.700 0.267 0.000 1.000 172 T CA -0.499 61.810 62.100 0.348 0.000 0.978 172 T CB 1.488 70.458 68.868 0.170 0.000 0.997 172 T HN 0.637 nan 8.240 nan 0.000 0.443 173 L N 3.616 124.970 121.223 0.219 0.000 2.313 173 L HA 0.546 4.776 4.340 -0.182 0.000 0.283 173 L C -0.217 176.791 176.870 0.229 0.000 1.013 173 L CA -0.876 54.000 54.840 0.059 0.000 0.816 173 L CB 1.201 43.108 42.059 -0.253 0.000 1.236 173 L HN 0.583 nan 8.230 nan 0.000 0.419 174 N N 1.537 120.401 118.700 0.274 0.000 2.372 174 N HA 0.430 5.061 4.740 -0.182 0.000 0.291 174 N C -1.096 174.597 175.510 0.306 0.000 1.024 174 N CA -0.685 52.511 53.050 0.244 0.000 0.873 174 N CB 2.173 40.748 38.487 0.147 0.000 1.206 174 N HN 0.542 nan 8.380 nan 0.000 0.486 175 D N 0.000 120.540 120.400 0.233 0.000 6.856 175 D HA 0.000 4.531 4.640 -0.182 0.000 0.175 175 D CA 0.000 54.081 54.000 0.135 0.000 0.868 175 D CB 0.000 40.893 40.800 0.155 0.000 0.688 175 D HN 0.000 nan 8.370 nan 0.000 0.683