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 1odk_1_F DATA FIRST_RESID 2 DATA SEQUENCE SPIHVRAHPG DVAERVLLPG DPGRAEWIAK TFLQNPRRYN DHRGLWGYTG DATA SEQUENCE LYKGVPVSVQ TTGMGTPSAA IVVEELVRLG ARVLVRVGTA GAASSDLAPG DATA SEQUENCE ELIVAQGAVP LDGTTRQYLE GRPYAPVPDP EVFRALWRRA EALGYPHRVG DATA SEQUENCE LVASEDAFYA TTPEEARAWA RYGVLAFEME ASALFLLGRM RGVRTGAILA DATA SEQUENCE VSNRIGDPEL APPEVLQEGV RRMVEVALEA VLEV 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.576 174.600 -0.040 0.000 1.055 2 S CA 0.000 58.169 58.200 -0.051 0.000 1.107 2 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 3 P HA 0.371 nan 4.420 nan 0.000 0.270 3 P C 0.939 178.231 177.300 -0.013 0.000 1.227 3 P CA -0.442 62.664 63.100 0.011 0.000 0.788 3 P CB 0.321 32.053 31.700 0.054 0.000 0.926 4 I N 0.098 120.657 120.570 -0.018 0.000 2.252 4 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 4 I C 1.544 177.495 176.117 -0.277 0.000 1.102 4 I CA 1.646 62.837 61.300 -0.182 0.000 1.385 4 I CB -0.388 37.455 38.000 -0.262 0.000 1.064 4 I HN 0.486 nan 8.210 nan 0.000 0.414 5 H N -0.949 118.186 119.070 0.108 0.000 2.393 5 H HA 0.206 4.762 4.556 -0.000 0.000 0.307 5 H C 0.501 175.968 175.328 0.232 0.000 1.038 5 H CA 0.153 56.327 56.048 0.211 0.000 1.351 5 H CB -0.058 29.788 29.762 0.141 0.000 1.464 5 H HN -0.086 nan 8.280 nan 0.000 0.575 6 V N 3.492 123.576 119.914 0.283 0.000 2.299 6 V HA 0.143 4.262 4.120 -0.000 0.000 0.255 6 V C 0.212 176.406 176.094 0.167 0.000 1.100 6 V CA -0.107 62.333 62.300 0.233 0.000 0.938 6 V CB 0.050 32.004 31.823 0.219 0.000 1.139 6 V HN 0.324 nan 8.190 nan 0.000 0.490 7 R N 3.386 123.970 120.500 0.139 0.000 4.164 7 R HA 0.500 4.840 4.340 -0.000 0.000 0.195 7 R C 0.403 176.767 176.300 0.107 0.000 1.712 7 R CA 0.030 56.166 56.100 0.059 0.000 1.457 7 R CB 0.228 30.498 30.300 -0.049 0.000 1.387 7 R HN 0.728 nan 8.270 nan 0.000 0.785 8 A N 0.831 123.723 122.820 0.121 0.000 2.309 8 A HA 0.450 4.769 4.320 -0.000 0.000 0.317 8 A C -0.998 176.624 177.584 0.064 0.000 1.134 8 A CA -0.637 51.471 52.037 0.118 0.000 0.866 8 A CB 1.121 20.157 19.000 0.060 0.000 1.329 8 A HN 0.486 nan 8.150 nan 0.000 0.477 9 H N 0.574 119.621 119.070 -0.038 0.000 2.572 9 H HA 0.483 5.039 4.556 -0.000 0.000 0.359 9 H C -2.716 172.570 175.328 -0.071 0.000 1.134 9 H CA -1.932 54.091 56.048 -0.041 0.000 1.187 9 H CB 2.137 31.884 29.762 -0.025 0.000 1.597 9 H HN 0.412 nan 8.280 nan 0.000 0.524 10 P HA 0.016 nan 4.420 nan 0.000 0.263 10 P C 0.702 178.095 177.300 0.155 0.000 1.175 10 P CA 1.759 64.854 63.100 -0.008 0.000 0.761 10 P CB 0.614 32.261 31.700 -0.088 0.000 0.794 11 G N 2.800 111.619 108.800 0.032 0.000 2.307 11 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.210 11 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.210 11 G C 0.838 175.723 174.900 -0.025 0.000 1.005 11 G CA 0.216 45.330 45.100 0.023 0.000 0.634 11 G HN 0.449 nan 8.290 nan 0.000 0.496 12 D N 0.397 120.753 120.400 -0.073 0.000 2.137 12 D HA 0.145 4.785 4.640 -0.000 0.000 0.202 12 D C 1.415 177.499 176.300 -0.359 0.000 0.970 12 D CA 1.144 55.034 54.000 -0.183 0.000 0.837 12 D CB 0.135 40.782 40.800 -0.256 0.000 0.981 12 D HN 0.369 nan 8.370 nan 0.000 0.475 13 V N 1.400 121.087 119.914 -0.378 0.000 2.465 13 V HA 0.502 4.622 4.120 -0.000 0.000 0.279 13 V C 0.552 176.580 176.094 -0.110 0.000 1.045 13 V CA -0.924 61.182 62.300 -0.322 0.000 0.938 13 V CB 1.277 32.925 31.823 -0.291 0.000 0.986 13 V HN 0.079 nan 8.190 nan 0.000 0.467 14 A N 3.371 126.170 122.820 -0.035 0.000 2.272 14 A HA 0.405 4.725 4.320 -0.000 0.000 0.275 14 A C 1.049 178.640 177.584 0.012 0.000 1.096 14 A CA -0.283 51.760 52.037 0.009 0.000 0.822 14 A CB 0.238 19.267 19.000 0.047 0.000 1.088 14 A HN 0.917 nan 8.150 nan 0.000 0.495 15 E N -0.103 120.108 120.200 0.019 0.000 2.150 15 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 15 E C 0.098 176.715 176.600 0.029 0.000 0.985 15 E CA 0.807 57.219 56.400 0.019 0.000 0.814 15 E CB 0.036 29.748 29.700 0.020 0.000 0.752 15 E HN 0.505 nan 8.360 nan 0.000 0.466 16 R N 0.820 121.343 120.500 0.038 0.000 2.294 16 R HA 0.401 4.741 4.340 -0.000 0.000 0.319 16 R C -0.990 175.339 176.300 0.049 0.000 0.984 16 R CA -0.362 55.763 56.100 0.041 0.000 0.861 16 R CB 1.938 32.264 30.300 0.043 0.000 1.104 16 R HN -0.153 nan 8.270 nan 0.000 0.451 17 V N 4.534 124.477 119.914 0.049 0.000 2.760 17 V HA 0.387 4.507 4.120 -0.000 0.000 0.309 17 V C -0.302 175.821 176.094 0.049 0.000 1.077 17 V CA -0.914 61.425 62.300 0.065 0.000 0.910 17 V CB 2.195 34.067 31.823 0.081 0.000 1.008 17 V HN 0.589 nan 8.190 nan 0.000 0.424 18 L N 4.624 125.874 121.223 0.044 0.000 2.343 18 L HA 0.602 4.942 4.340 -0.000 0.000 0.275 18 L C -0.702 176.200 176.870 0.052 0.000 1.056 18 L CA -0.608 54.244 54.840 0.021 0.000 0.804 18 L CB 1.679 43.722 42.059 -0.026 0.000 1.203 18 L HN 0.489 nan 8.230 nan 0.000 0.440 19 L N 4.905 126.153 121.223 0.043 0.000 2.445 19 L HA 0.359 4.699 4.340 -0.000 0.000 0.252 19 L C -2.265 174.626 176.870 0.035 0.000 1.105 19 L CA -1.539 53.330 54.840 0.049 0.000 0.943 19 L CB 1.182 43.266 42.059 0.041 0.000 1.277 19 L HN 0.316 nan 8.230 nan 0.000 0.465 20 P HA 0.155 nan 4.420 nan 0.000 0.279 20 P C 0.502 177.815 177.300 0.022 0.000 1.252 20 P CA -0.253 62.869 63.100 0.036 0.000 0.811 20 P CB 2.060 33.799 31.700 0.064 0.000 1.035 21 G N 0.602 109.400 108.800 -0.002 0.000 2.492 21 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.214 21 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.214 21 G C 0.233 175.108 174.900 -0.042 0.000 1.147 21 G CA 0.369 45.454 45.100 -0.025 0.000 0.809 21 G HN 0.527 nan 8.290 nan 0.000 0.533 22 D N 0.248 120.624 120.400 -0.039 0.000 2.249 22 D HA 0.274 4.914 4.640 -0.000 0.000 0.246 22 D C -0.982 175.284 176.300 -0.056 0.000 1.114 22 D CA -2.571 51.387 54.000 -0.070 0.000 0.854 22 D CB 2.280 43.039 40.800 -0.068 0.000 1.132 22 D HN -0.025 nan 8.370 nan 0.000 0.461 23 P HA -0.077 nan 4.420 nan 0.000 0.218 23 P C 1.286 178.561 177.300 -0.042 0.000 1.149 23 P CA 0.900 63.892 63.100 -0.180 0.000 0.817 23 P CB 0.179 31.470 31.700 -0.681 0.000 0.785 24 G N 0.188 108.923 108.800 -0.108 0.000 2.443 24 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 24 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 24 G C 1.890 176.879 174.900 0.147 0.000 1.131 24 G CA 0.431 45.556 45.100 0.041 0.000 0.775 24 G HN 0.270 nan 8.290 nan 0.000 0.547 25 R N 0.238 120.801 120.500 0.105 0.000 2.119 25 R HA 0.231 4.571 4.340 -0.000 0.000 0.222 25 R C 2.800 179.246 176.300 0.244 0.000 1.088 25 R CA 1.177 57.382 56.100 0.175 0.000 0.984 25 R CB -0.262 30.090 30.300 0.086 0.000 0.884 25 R HN 0.234 nan 8.270 nan 0.000 0.447 26 A N 1.044 123.984 122.820 0.200 0.000 1.877 26 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 26 A C 2.021 179.642 177.584 0.060 0.000 1.186 26 A CA 1.703 53.864 52.037 0.206 0.000 0.620 26 A CB -0.629 18.572 19.000 0.336 0.000 0.822 26 A HN 0.588 nan 8.150 nan 0.000 0.443 27 E N -1.541 118.757 120.200 0.164 0.000 2.051 27 E HA -0.270 4.080 4.350 -0.000 0.000 0.192 27 E C 1.844 178.401 176.600 -0.072 0.000 0.991 27 E CA 1.546 57.887 56.400 -0.098 0.000 0.799 27 E CB -0.352 29.566 29.700 0.363 0.000 0.748 27 E HN 0.746 nan 8.360 nan 0.000 0.449 28 W N 1.332 122.618 121.300 -0.023 0.000 2.338 28 W HA -0.174 4.486 4.660 -0.000 0.000 0.304 28 W C 1.869 178.412 176.519 0.041 0.000 1.212 28 W CA 1.860 59.211 57.345 0.009 0.000 1.264 28 W CB -0.286 29.200 29.460 0.044 0.000 1.142 28 W HN 0.085 nan 8.180 nan 0.000 0.512 29 I N 0.588 121.190 120.570 0.053 0.000 2.179 29 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 29 I C 2.644 178.687 176.117 -0.123 0.000 1.088 29 I CA 1.569 62.831 61.300 -0.065 0.000 1.357 29 I CB -1.171 36.847 38.000 0.030 0.000 1.051 29 I HN 0.091 nan 8.210 nan 0.000 0.409 30 A N 0.914 123.602 122.820 -0.221 0.000 1.908 30 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 30 A C 2.296 179.758 177.584 -0.204 0.000 1.181 30 A CA 1.789 53.675 52.037 -0.251 0.000 0.627 30 A CB -0.449 18.174 19.000 -0.629 0.000 0.818 30 A HN 0.362 nan 8.150 nan 0.000 0.445 31 K N -1.176 119.065 120.400 -0.266 0.000 2.228 31 K HA -0.011 4.309 4.320 -0.000 0.000 0.202 31 K C 1.869 178.309 176.600 -0.267 0.000 1.051 31 K CA 1.444 57.604 56.287 -0.212 0.000 0.960 31 K CB -0.129 32.268 32.500 -0.171 0.000 0.743 31 K HN 0.461 nan 8.250 nan 0.000 0.458 32 T N 0.182 114.471 114.554 -0.442 0.000 2.894 32 T HA 0.025 4.375 4.350 -0.000 0.000 0.258 32 T C 1.208 175.562 174.700 -0.577 0.000 1.043 32 T CA 0.959 62.673 62.100 -0.643 0.000 1.141 32 T CB -0.031 68.074 68.868 -1.271 0.000 0.873 32 T HN 0.069 nan 8.240 nan 0.000 0.449 33 F N 0.351 120.135 119.950 -0.277 0.000 2.694 33 F HA 0.452 4.979 4.527 -0.000 0.000 0.292 33 F C 0.610 176.439 175.800 0.047 0.000 1.121 33 F CA -0.315 57.636 58.000 -0.082 0.000 1.352 33 F CB 0.126 39.064 39.000 -0.105 0.000 1.107 33 F HN -0.045 nan 8.300 nan 0.000 0.597 34 L N 0.906 122.222 121.223 0.156 0.000 2.343 34 L HA 0.398 4.738 4.340 -0.000 0.000 0.275 34 L C -0.170 176.740 176.870 0.067 0.000 1.056 34 L CA -0.754 54.170 54.840 0.141 0.000 0.804 34 L CB 1.074 43.198 42.059 0.107 0.000 1.203 34 L HN -0.044 nan 8.230 nan 0.000 0.440 35 Q N 1.282 121.124 119.800 0.070 0.000 2.235 35 Q HA 0.238 4.578 4.340 -0.000 0.000 0.250 35 Q C -0.454 175.571 176.000 0.042 0.000 0.909 35 Q CA -0.575 55.249 55.803 0.033 0.000 0.910 35 Q CB 1.002 29.752 28.738 0.021 0.000 1.223 35 Q HN 0.550 nan 8.270 nan 0.000 0.432 36 N N 0.324 119.042 118.700 0.029 0.000 2.714 36 N HA -0.148 4.592 4.740 -0.000 0.000 0.253 36 N C -2.754 172.793 175.510 0.061 0.000 1.024 36 N CA -0.069 53.004 53.050 0.038 0.000 0.726 36 N CB -1.107 37.402 38.487 0.037 0.000 0.908 36 N HN 0.356 nan 8.380 nan 0.000 0.542 37 P HA 0.061 nan 4.420 nan 0.000 0.271 37 P C -0.315 177.070 177.300 0.142 0.000 1.220 37 P CA 0.216 63.378 63.100 0.104 0.000 0.768 37 P CB 0.747 32.472 31.700 0.042 0.000 0.848 38 R N 2.846 123.458 120.500 0.187 0.000 2.513 38 R HA 0.403 4.743 4.340 -0.000 0.000 0.301 38 R C -0.575 175.792 176.300 0.111 0.000 0.968 38 R CA -0.927 55.257 56.100 0.140 0.000 0.872 38 R CB 1.211 31.577 30.300 0.110 0.000 1.177 38 R HN 0.316 nan 8.270 nan 0.000 0.444 39 R N 3.957 124.423 120.500 -0.057 0.000 2.248 39 R HA 0.067 4.407 4.340 -0.000 0.000 0.328 39 R C -0.008 176.127 176.300 -0.277 0.000 1.067 39 R CA -0.114 55.713 56.100 -0.456 0.000 0.924 39 R CB 0.374 30.284 30.300 -0.649 0.000 1.013 39 R HN 0.733 nan 8.270 nan 0.000 0.454 40 Y N 1.643 121.839 120.300 -0.173 0.000 2.478 40 Y HA 0.369 4.919 4.550 -0.000 0.000 0.261 40 Y C -0.351 175.505 175.900 -0.073 0.000 1.127 40 Y CA -0.858 57.192 58.100 -0.083 0.000 1.288 40 Y CB 0.218 38.664 38.460 -0.023 0.000 1.084 40 Y HN 0.466 nan 8.280 nan 0.000 0.530 41 N N 0.278 118.790 118.700 -0.313 0.000 2.367 41 N HA 0.200 4.940 4.740 -0.000 0.000 0.278 41 N C -1.095 174.322 175.510 -0.155 0.000 1.117 41 N CA -0.042 52.949 53.050 -0.099 0.000 0.867 41 N CB 1.513 40.051 38.487 0.084 0.000 1.649 41 N HN 0.199 nan 8.380 nan 0.000 0.479 42 D N 0.084 120.486 120.400 0.004 0.000 2.516 42 D HA 0.001 4.640 4.640 -0.000 0.000 0.241 42 D C -0.332 176.103 176.300 0.226 0.000 1.246 42 D CA -0.079 53.987 54.000 0.110 0.000 0.808 42 D CB -0.644 40.100 40.800 -0.093 0.000 1.147 42 D HN 0.603 nan 8.370 nan 0.000 0.527 43 H N 2.447 121.576 119.070 0.098 0.000 3.034 43 H HA 0.073 4.629 4.556 -0.000 0.000 0.324 43 H C 0.403 175.799 175.328 0.114 0.000 1.015 43 H CA 1.038 57.142 56.048 0.092 0.000 1.429 43 H CB 0.436 30.239 29.762 0.068 0.000 1.429 43 H HN 0.069 nan 8.280 nan 0.000 0.585 44 R N 2.467 122.695 120.500 -0.453 0.000 3.946 44 R HA -0.221 4.119 4.340 -0.000 0.000 0.329 44 R C 1.067 177.314 176.300 -0.088 0.000 1.209 44 R CA 0.834 56.763 56.100 -0.286 0.000 0.909 44 R CB -1.793 28.361 30.300 -0.243 0.000 1.355 44 R HN 1.102 nan 8.270 nan 0.000 0.539 45 G N 0.039 108.844 108.800 0.009 0.000 2.168 45 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.263 45 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.263 45 G C 0.214 175.058 174.900 -0.093 0.000 0.977 45 G CA 0.458 45.531 45.100 -0.045 0.000 0.659 45 G HN 0.314 nan 8.290 nan 0.000 0.533 46 L N 0.733 121.997 121.223 0.069 0.000 2.480 46 L HA 0.267 4.607 4.340 -0.000 0.000 0.243 46 L C 0.536 177.520 176.870 0.189 0.000 1.315 46 L CA -1.075 53.814 54.840 0.082 0.000 1.231 46 L CB -0.378 41.742 42.059 0.100 0.000 1.444 46 L HN 0.126 nan 8.230 nan 0.000 0.409 47 W N 1.634 122.893 121.300 -0.067 0.000 2.385 47 W HA 0.280 4.940 4.660 -0.000 0.000 0.336 47 W C 0.902 177.256 176.519 -0.275 0.000 1.351 47 W CA -0.688 56.542 57.345 -0.190 0.000 1.295 47 W CB 0.080 29.507 29.460 -0.055 0.000 1.239 47 W HN 0.261 nan 8.180 nan 0.000 0.565 48 G N 3.317 111.823 108.800 -0.490 0.000 2.643 48 G HA2 0.669 4.629 3.960 -0.000 0.000 0.305 48 G HA3 0.669 4.629 3.960 -0.000 0.000 0.305 48 G C -2.167 171.950 174.900 -1.306 0.000 1.387 48 G CA -0.586 44.049 45.100 -0.775 0.000 0.982 48 G HN 0.258 nan 8.290 nan 0.000 0.501 49 Y N -0.038 120.040 120.300 -0.371 0.000 2.570 49 Y HA 0.759 5.309 4.550 -0.000 0.000 0.345 49 Y C 0.402 176.452 175.900 0.250 0.000 1.014 49 Y CA -0.922 57.126 58.100 -0.087 0.000 1.063 49 Y CB 2.889 41.341 38.460 -0.013 0.000 1.272 49 Y HN 0.451 nan 8.280 nan 0.000 0.477 50 T N 1.023 115.832 114.554 0.424 0.000 2.928 50 T HA 0.724 5.074 4.350 -0.000 0.000 0.296 50 T C -0.208 174.620 174.700 0.214 0.000 1.000 50 T CA -0.743 61.546 62.100 0.316 0.000 0.989 50 T CB 1.597 70.630 68.868 0.276 0.000 1.005 50 T HN 1.013 nan 8.240 nan 0.000 0.442 51 G N 1.515 110.415 108.800 0.167 0.000 2.815 51 G HA2 0.749 4.709 3.960 -0.000 0.000 0.305 51 G HA3 0.749 4.709 3.960 -0.000 0.000 0.305 51 G C -1.917 173.056 174.900 0.120 0.000 1.277 51 G CA -0.769 44.408 45.100 0.129 0.000 0.795 51 G HN 0.672 nan 8.290 nan 0.000 0.528 52 L N 0.145 121.435 121.223 0.112 0.000 2.346 52 L HA 0.521 4.860 4.340 -0.000 0.000 0.276 52 L C -1.521 175.448 176.870 0.166 0.000 1.006 52 L CA -0.930 53.978 54.840 0.113 0.000 0.817 52 L CB 2.256 44.354 42.059 0.064 0.000 1.272 52 L HN 0.564 nan 8.230 nan 0.000 0.421 53 Y N 3.528 123.852 120.300 0.040 0.000 2.338 53 Y HA 0.269 4.819 4.550 -0.000 0.000 0.328 53 Y C 0.065 175.986 175.900 0.035 0.000 0.965 53 Y CA -1.237 56.890 58.100 0.045 0.000 1.208 53 Y CB 0.863 39.352 38.460 0.048 0.000 1.132 53 Y HN 0.551 nan 8.280 nan 0.000 0.469 54 K N 4.712 124.854 120.400 -0.430 0.000 3.148 54 K HA -0.242 4.078 4.320 -0.000 0.000 0.267 54 K C 0.927 177.456 176.600 -0.118 0.000 0.996 54 K CA 0.969 57.064 56.287 -0.319 0.000 0.737 54 K CB -1.597 30.650 32.500 -0.423 0.000 1.308 54 K HN 1.311 nan 8.250 nan 0.000 0.470 55 G N -1.546 107.217 108.800 -0.061 0.000 2.184 55 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.264 55 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.264 55 G C 0.153 175.063 174.900 0.016 0.000 0.975 55 G CA 0.263 45.353 45.100 -0.016 0.000 0.642 55 G HN 0.290 nan 8.290 nan 0.000 0.536 56 V N 1.398 121.338 119.914 0.043 0.000 2.459 56 V HA 0.523 4.643 4.120 -0.000 0.000 0.295 56 V C -1.955 174.198 176.094 0.097 0.000 1.029 56 V CA -1.937 60.406 62.300 0.071 0.000 0.874 56 V CB 2.014 33.891 31.823 0.090 0.000 0.985 56 V HN 0.047 nan 8.190 nan 0.000 0.438 57 P HA 0.253 nan 4.420 nan 0.000 0.268 57 P C -0.982 176.375 177.300 0.094 0.000 1.204 57 P CA 0.160 63.309 63.100 0.082 0.000 0.768 57 P CB 0.675 32.410 31.700 0.059 0.000 0.842 58 V N 3.152 123.132 119.914 0.110 0.000 2.777 58 V HA 0.314 4.434 4.120 -0.000 0.000 0.306 58 V C -0.214 175.955 176.094 0.125 0.000 1.112 58 V CA -0.413 61.947 62.300 0.100 0.000 0.917 58 V CB 2.370 34.246 31.823 0.089 0.000 1.018 58 V HN 0.400 nan 8.190 nan 0.000 0.426 59 S N 2.568 118.348 115.700 0.133 0.000 2.638 59 S HA 0.807 5.277 4.470 -0.000 0.000 0.298 59 S C -0.627 174.087 174.600 0.191 0.000 1.111 59 S CA -0.635 57.696 58.200 0.218 0.000 1.027 59 S CB 2.024 65.373 63.200 0.247 0.000 1.064 59 S HN 0.502 nan 8.310 nan 0.000 0.525 60 V N 2.756 122.821 119.914 0.252 0.000 2.447 60 V HA 0.476 4.596 4.120 -0.000 0.000 0.292 60 V C -0.736 175.512 176.094 0.257 0.000 1.021 60 V CA -0.604 61.817 62.300 0.202 0.000 0.850 60 V CB 1.352 33.274 31.823 0.164 0.000 1.005 60 V HN 0.783 nan 8.190 nan 0.000 0.426 61 Q N 2.892 122.815 119.800 0.204 0.000 2.325 61 Q HA 0.500 4.840 4.340 -0.000 0.000 0.270 61 Q C -0.290 175.794 176.000 0.139 0.000 1.020 61 Q CA -0.160 55.758 55.803 0.191 0.000 0.785 61 Q CB 1.907 30.778 28.738 0.222 0.000 1.259 61 Q HN 0.757 nan 8.270 nan 0.000 0.452 62 T N 3.107 117.741 114.554 0.134 0.000 2.902 62 T HA 0.135 4.485 4.350 -0.000 0.000 0.301 62 T C 1.032 175.762 174.700 0.051 0.000 1.012 62 T CA 0.779 62.927 62.100 0.081 0.000 1.151 62 T CB 0.606 69.508 68.868 0.056 0.000 0.946 62 T HN 0.789 nan 8.240 nan 0.000 0.542 63 T N 0.090 114.657 114.554 0.021 0.000 3.014 63 T HA 0.486 4.836 4.350 -0.000 0.000 0.250 63 T C 1.152 175.839 174.700 -0.022 0.000 1.060 63 T CA 0.317 62.420 62.100 0.006 0.000 1.040 63 T CB -0.156 68.711 68.868 -0.001 0.000 0.971 63 T HN 1.137 nan 8.240 nan 0.000 0.497 64 G N 1.723 110.500 108.800 -0.038 0.000 2.725 64 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.220 64 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.220 64 G C -0.636 174.228 174.900 -0.060 0.000 1.357 64 G CA -0.404 44.660 45.100 -0.060 0.000 0.866 64 G HN 0.592 nan 8.290 nan 0.000 0.548 65 M N 0.943 120.502 119.600 -0.069 0.000 2.268 65 M HA 0.591 5.071 4.480 -0.000 0.000 0.344 65 M C 0.616 176.885 176.300 -0.052 0.000 1.106 65 M CA 0.560 55.819 55.300 -0.068 0.000 1.010 65 M CB 1.441 33.983 32.600 -0.097 0.000 1.649 65 M HN 2.566 nan 8.290 nan 0.000 0.443 66 G N 1.067 109.842 108.800 -0.040 0.000 2.675 66 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 66 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 66 G C 0.271 175.153 174.900 -0.030 0.000 1.215 66 G CA -0.293 44.790 45.100 -0.028 0.000 0.777 66 G HN 0.881 nan 8.290 nan 0.000 0.638 67 T N -1.454 113.086 114.554 -0.023 0.000 2.915 67 T HA 0.017 4.367 4.350 -0.000 0.000 0.269 67 T C 0.061 174.760 174.700 -0.002 0.000 1.071 67 T CA 2.031 64.122 62.100 -0.015 0.000 1.132 67 T CB -0.595 68.269 68.868 -0.006 0.000 0.878 67 T HN 0.397 nan 8.240 nan 0.000 0.479 68 P HA -0.022 nan 4.420 nan 0.000 0.216 68 P C 2.074 179.349 177.300 -0.042 0.000 1.153 68 P CA 1.017 64.102 63.100 -0.025 0.000 0.848 68 P CB -0.193 31.486 31.700 -0.035 0.000 0.787 69 S N -0.897 114.775 115.700 -0.048 0.000 2.357 69 S HA -0.095 4.375 4.470 -0.000 0.000 0.221 69 S C 1.990 176.560 174.600 -0.050 0.000 1.031 69 S CA 1.232 59.393 58.200 -0.065 0.000 0.982 69 S CB -1.046 62.120 63.200 -0.057 0.000 0.853 69 S HN 0.029 nan 8.310 nan 0.000 0.458 70 A N 1.271 124.072 122.820 -0.032 0.000 1.933 70 A HA 0.168 4.488 4.320 -0.000 0.000 0.218 70 A C 2.393 179.975 177.584 -0.004 0.000 1.175 70 A CA 1.854 53.879 52.037 -0.020 0.000 0.628 70 A CB -1.230 17.752 19.000 -0.029 0.000 0.814 70 A HN 0.714 nan 8.150 nan 0.000 0.444 71 A N -0.180 122.649 122.820 0.015 0.000 1.930 71 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 71 A C 2.109 179.720 177.584 0.045 0.000 1.175 71 A CA 1.407 53.482 52.037 0.063 0.000 0.627 71 A CB -0.541 18.562 19.000 0.171 0.000 0.815 71 A HN 0.487 nan 8.150 nan 0.000 0.443 72 I N -0.507 120.053 120.570 -0.017 0.000 2.179 72 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 72 I C 2.352 178.452 176.117 -0.027 0.000 1.088 72 I CA 1.180 62.435 61.300 -0.075 0.000 1.357 72 I CB -0.224 37.605 38.000 -0.284 0.000 1.051 72 I HN 0.161 nan 8.210 nan 0.000 0.409 73 V N 0.166 120.070 119.914 -0.018 0.000 2.358 73 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 73 V C 2.381 178.504 176.094 0.047 0.000 1.047 73 V CA 1.443 63.763 62.300 0.032 0.000 1.035 73 V CB -0.315 31.529 31.823 0.036 0.000 0.658 73 V HN 0.226 nan 8.190 nan 0.000 0.452 74 V N -0.301 119.633 119.914 0.033 0.000 2.343 74 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 74 V C 2.594 178.706 176.094 0.031 0.000 1.051 74 V CA 1.803 64.122 62.300 0.032 0.000 1.036 74 V CB -0.610 31.223 31.823 0.017 0.000 0.654 74 V HN 0.560 nan 8.190 nan 0.000 0.451 75 E N 0.151 120.372 120.200 0.035 0.000 2.058 75 E HA -0.261 4.088 4.350 -0.000 0.000 0.194 75 E C 2.208 178.834 176.600 0.043 0.000 0.997 75 E CA 1.650 58.074 56.400 0.040 0.000 0.801 75 E CB -0.191 29.551 29.700 0.070 0.000 0.746 75 E HN 0.714 nan 8.360 nan 0.000 0.450 76 E N 0.496 120.731 120.200 0.058 0.000 2.106 76 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 76 E C 2.382 179.008 176.600 0.043 0.000 0.984 76 E CA 0.409 56.847 56.400 0.062 0.000 0.806 76 E CB -0.068 29.693 29.700 0.102 0.000 0.750 76 E HN 0.176 nan 8.360 nan 0.000 0.458 77 L N 0.563 121.816 121.223 0.049 0.000 2.046 77 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 77 L C 2.464 179.343 176.870 0.015 0.000 1.077 77 L CA 0.755 55.618 54.840 0.037 0.000 0.747 77 L CB -0.341 41.752 42.059 0.057 0.000 0.896 77 L HN 0.058 nan 8.230 nan 0.000 0.432 78 V N -0.512 119.412 119.914 0.017 0.000 2.343 78 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 78 V C 2.692 178.785 176.094 -0.001 0.000 1.051 78 V CA 1.471 63.775 62.300 0.008 0.000 1.036 78 V CB -0.645 31.181 31.823 0.006 0.000 0.654 78 V HN 0.410 nan 8.190 nan 0.000 0.451 79 R N -0.098 120.403 120.500 0.001 0.000 2.152 79 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 79 R C 1.874 178.156 176.300 -0.029 0.000 1.117 79 R CA 1.293 57.388 56.100 -0.010 0.000 0.981 79 R CB -0.665 29.634 30.300 -0.001 0.000 0.870 79 R HN 0.486 nan 8.270 nan 0.000 0.451 80 L N -1.081 120.123 121.223 -0.032 0.000 2.591 80 L HA 0.141 4.481 4.340 -0.000 0.000 0.228 80 L C 1.100 177.939 176.870 -0.051 0.000 1.133 80 L CA 0.673 55.477 54.840 -0.060 0.000 0.880 80 L CB 0.207 42.222 42.059 -0.072 0.000 1.033 80 L HN 0.415 nan 8.230 nan 0.000 0.450 81 G N -0.480 108.302 108.800 -0.030 0.000 2.168 81 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.197 81 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.197 81 G C 0.352 175.245 174.900 -0.011 0.000 0.997 81 G CA -0.210 44.877 45.100 -0.021 0.000 0.658 81 G HN 0.408 nan 8.290 nan 0.000 0.513 82 A N -0.042 122.774 122.820 -0.007 0.000 2.511 82 A HA 0.701 5.021 4.320 -0.000 0.000 0.242 82 A C 1.191 178.783 177.584 0.013 0.000 1.069 82 A CA 1.349 53.390 52.037 0.007 0.000 0.763 82 A CB 0.401 19.413 19.000 0.019 0.000 1.001 82 A HN 0.657 nan 8.150 nan 0.000 0.498 83 R N 1.368 121.879 120.500 0.018 0.000 2.276 83 R HA 0.303 4.643 4.340 -0.000 0.000 0.195 83 R C -0.777 175.539 176.300 0.027 0.000 0.908 83 R CA 0.529 56.641 56.100 0.019 0.000 1.083 83 R CB 0.580 30.890 30.300 0.017 0.000 1.182 83 R HN 0.519 nan 8.270 nan 0.000 0.608 84 V N 2.724 122.657 119.914 0.032 0.000 2.483 84 V HA 0.426 4.546 4.120 -0.000 0.000 0.297 84 V C -1.386 174.735 176.094 0.046 0.000 1.027 84 V CA -0.798 61.525 62.300 0.039 0.000 0.855 84 V CB 1.707 33.551 31.823 0.036 0.000 0.995 84 V HN 0.064 nan 8.190 nan 0.000 0.424 85 L N 5.934 127.191 121.223 0.057 0.000 2.406 85 L HA 0.679 5.019 4.340 -0.000 0.000 0.272 85 L C -0.473 176.444 176.870 0.080 0.000 0.980 85 L CA -0.367 54.511 54.840 0.064 0.000 0.831 85 L CB 2.058 44.155 42.059 0.064 0.000 1.253 85 L HN 0.365 nan 8.230 nan 0.000 0.406 86 V N 2.893 122.846 119.914 0.064 0.000 2.409 86 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 86 V C 0.194 176.320 176.094 0.054 0.000 1.020 86 V CA -0.718 61.626 62.300 0.072 0.000 0.848 86 V CB 1.703 33.554 31.823 0.045 0.000 0.990 86 V HN 0.748 nan 8.190 nan 0.000 0.430 87 R N 4.185 124.722 120.500 0.063 0.000 2.438 87 R HA 0.602 4.942 4.340 -0.000 0.000 0.287 87 R C -0.795 175.518 176.300 0.022 0.000 1.077 87 R CA -0.229 55.886 56.100 0.026 0.000 1.034 87 R CB 1.266 31.559 30.300 -0.011 0.000 0.993 87 R HN 0.642 nan 8.270 nan 0.000 0.459 88 V N 1.248 121.167 119.914 0.010 0.000 2.577 88 V HA 0.955 5.075 4.120 -0.000 0.000 0.303 88 V C -0.132 175.964 176.094 0.004 0.000 1.042 88 V CA -0.028 62.276 62.300 0.006 0.000 0.872 88 V CB 1.308 33.128 31.823 -0.005 0.000 0.998 88 V HN 1.003 nan 8.190 nan 0.000 0.423 89 G N 2.812 111.613 108.800 0.001 0.000 2.494 89 G HA2 0.725 4.685 3.960 -0.000 0.000 0.308 89 G HA3 0.725 4.685 3.960 -0.000 0.000 0.308 89 G C -0.558 174.339 174.900 -0.004 0.000 1.263 89 G CA 0.094 45.191 45.100 -0.005 0.000 0.840 89 G HN 1.361 nan 8.290 nan 0.000 0.479 90 T N -2.167 112.384 114.554 -0.005 0.000 2.952 90 T HA 0.889 5.239 4.350 -0.000 0.000 0.286 90 T C -0.077 174.634 174.700 0.017 0.000 1.024 90 T CA 0.125 62.227 62.100 0.003 0.000 1.029 90 T CB 1.846 70.714 68.868 0.001 0.000 1.094 90 T HN 2.084 nan 8.240 nan 0.000 0.515 91 A N 0.145 122.981 122.820 0.025 0.000 2.587 91 A HA 0.856 5.176 4.320 -0.000 0.000 0.293 91 A C -0.107 177.506 177.584 0.048 0.000 1.087 91 A CA -0.704 51.357 52.037 0.040 0.000 0.692 91 A CB 1.345 20.359 19.000 0.024 0.000 1.291 91 A HN 1.353 nan 8.150 nan 0.000 0.407 92 G N 0.588 109.428 108.800 0.067 0.000 2.319 92 G HA2 0.656 4.616 3.960 -0.000 0.000 0.308 92 G HA3 0.656 4.616 3.960 -0.000 0.000 0.308 92 G C 0.284 175.242 174.900 0.096 0.000 1.117 92 G CA 0.344 45.473 45.100 0.048 0.000 0.903 92 G HN 1.600 nan 8.290 nan 0.000 0.436 93 A N 1.893 124.752 122.820 0.065 0.000 2.511 93 A HA 0.515 4.835 4.320 -0.000 0.000 0.242 93 A C 1.515 179.173 177.584 0.123 0.000 1.069 93 A CA 0.571 52.657 52.037 0.081 0.000 0.763 93 A CB 0.610 19.638 19.000 0.047 0.000 1.001 93 A HN 1.537 nan 8.150 nan 0.000 0.498 94 A N 2.250 125.176 122.820 0.177 0.000 2.044 94 A HA 0.387 4.707 4.320 -0.000 0.000 0.213 94 A C 1.255 178.927 177.584 0.146 0.000 1.169 94 A CA 1.059 53.242 52.037 0.244 0.000 0.724 94 A CB -0.091 19.133 19.000 0.373 0.000 0.840 94 A HN 0.711 nan 8.150 nan 0.000 0.463 95 S N -0.479 115.281 115.700 0.100 0.000 2.718 95 S HA 0.395 4.864 4.470 -0.000 0.000 0.300 95 S C 1.011 175.637 174.600 0.044 0.000 1.117 95 S CA 0.055 58.295 58.200 0.067 0.000 1.002 95 S CB 1.629 64.861 63.200 0.053 0.000 1.092 95 S HN 0.520 nan 8.310 nan 0.000 0.542 96 S N -0.467 115.252 115.700 0.032 0.000 2.575 96 S HA 0.062 4.532 4.470 -0.000 0.000 0.215 96 S C 0.682 175.292 174.600 0.017 0.000 0.966 96 S CA 0.116 58.329 58.200 0.021 0.000 0.911 96 S CB -0.152 63.057 63.200 0.016 0.000 0.780 96 S HN 0.647 nan 8.310 nan 0.000 0.514 97 D N 1.458 121.869 120.400 0.019 0.000 2.355 97 D HA 0.139 4.779 4.640 -0.000 0.000 0.218 97 D C 0.068 176.374 176.300 0.011 0.000 1.004 97 D CA 0.148 54.155 54.000 0.012 0.000 0.880 97 D CB -0.035 40.771 40.800 0.010 0.000 0.911 97 D HN 0.419 nan 8.370 nan 0.000 0.528 98 L N 1.125 122.357 121.223 0.016 0.000 2.265 98 L HA 0.539 4.879 4.340 -0.000 0.000 0.289 98 L C 0.130 177.008 176.870 0.014 0.000 1.033 98 L CA -0.899 53.950 54.840 0.015 0.000 0.814 98 L CB 1.649 43.721 42.059 0.020 0.000 1.203 98 L HN -0.126 nan 8.230 nan 0.000 0.423 99 A N 5.751 128.578 122.820 0.011 0.000 2.310 99 A HA 0.674 4.994 4.320 -0.000 0.000 0.299 99 A C -2.389 175.200 177.584 0.008 0.000 1.147 99 A CA -1.571 50.471 52.037 0.009 0.000 0.818 99 A CB 0.240 19.245 19.000 0.008 0.000 1.096 99 A HN 0.422 nan 8.150 nan 0.000 0.495 100 P HA 0.211 nan 4.420 nan 0.000 0.264 100 P C 1.104 178.402 177.300 -0.003 0.000 1.183 100 P CA 2.118 65.218 63.100 0.001 0.000 0.763 100 P CB 0.610 32.310 31.700 -0.001 0.000 0.807 101 G N 1.357 110.154 108.800 -0.006 0.000 2.217 101 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 101 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 101 G C 0.289 175.186 174.900 -0.005 0.000 0.990 101 G CA -0.146 44.946 45.100 -0.014 0.000 0.627 101 G HN 0.589 nan 8.290 nan 0.000 0.522 102 E N 0.283 120.488 120.200 0.008 0.000 2.398 102 E HA 0.491 4.841 4.350 -0.000 0.000 0.263 102 E C 0.547 177.166 176.600 0.032 0.000 1.046 102 E CA -0.348 56.066 56.400 0.023 0.000 0.908 102 E CB 0.271 29.983 29.700 0.021 0.000 0.963 102 E HN 0.375 nan 8.360 nan 0.000 0.431 103 L N 4.480 125.741 121.223 0.063 0.000 2.343 103 L HA 0.462 4.801 4.340 -0.000 0.000 0.275 103 L C -0.130 176.785 176.870 0.075 0.000 1.056 103 L CA -0.631 54.252 54.840 0.073 0.000 0.804 103 L CB 1.029 43.153 42.059 0.107 0.000 1.203 103 L HN 0.470 nan 8.230 nan 0.000 0.440 104 I N 2.726 123.326 120.570 0.050 0.000 2.439 104 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 104 I C -0.625 175.513 176.117 0.036 0.000 1.021 104 I CA -0.675 60.645 61.300 0.033 0.000 1.091 104 I CB 2.273 40.284 38.000 0.018 0.000 1.242 104 I HN 0.190 nan 8.210 nan 0.000 0.439 105 V N 6.068 125.990 119.914 0.015 0.000 2.368 105 V HA 0.329 4.449 4.120 -0.000 0.000 0.266 105 V C 0.781 176.946 176.094 0.119 0.000 1.045 105 V CA -0.565 61.751 62.300 0.028 0.000 0.899 105 V CB 1.216 32.971 31.823 -0.114 0.000 1.006 105 V HN 0.829 nan 8.190 nan 0.000 0.470 106 A N 4.200 127.131 122.820 0.186 0.000 2.476 106 A HA 0.139 4.459 4.320 -0.000 0.000 0.275 106 A C 1.168 178.887 177.584 0.226 0.000 1.133 106 A CA 0.064 52.232 52.037 0.218 0.000 0.797 106 A CB 0.104 19.284 19.000 0.300 0.000 1.081 106 A HN 0.945 nan 8.150 nan 0.000 0.510 107 Q N 2.522 122.365 119.800 0.072 0.000 2.331 107 Q HA 0.253 4.593 4.340 -0.000 0.000 0.203 107 Q C 0.682 176.481 176.000 -0.335 0.000 0.944 107 Q CA 1.036 56.652 55.803 -0.312 0.000 0.892 107 Q CB 0.157 28.762 28.738 -0.222 0.000 0.983 107 Q HN 0.963 nan 8.270 nan 0.000 0.482 108 G N -0.753 108.007 108.800 -0.067 0.000 2.523 108 G HA2 0.575 4.535 3.960 -0.000 0.000 0.291 108 G HA3 0.575 4.535 3.960 -0.000 0.000 0.291 108 G C -2.027 172.957 174.900 0.141 0.000 1.450 108 G CA -0.261 44.846 45.100 0.011 0.000 0.790 108 G HN 0.162 nan 8.290 nan 0.000 0.496 109 A N 0.042 122.953 122.820 0.151 0.000 2.385 109 A HA 0.686 5.006 4.320 -0.000 0.000 0.290 109 A C -0.293 177.249 177.584 -0.070 0.000 1.094 109 A CA -0.490 51.545 52.037 -0.002 0.000 0.729 109 A CB 1.537 20.486 19.000 -0.085 0.000 1.194 109 A HN 1.492 nan 8.150 nan 0.000 0.442 110 V N 4.982 124.792 119.914 -0.174 0.000 2.493 110 V HA 0.176 4.296 4.120 -0.000 0.000 0.292 110 V C -1.736 174.241 176.094 -0.195 0.000 1.016 110 V CA -0.381 61.791 62.300 -0.212 0.000 1.097 110 V CB 0.771 32.341 31.823 -0.422 0.000 0.947 110 V HN 0.767 nan 8.190 nan 0.000 0.479 111 P HA 0.240 nan 4.420 nan 0.000 0.256 111 P C 0.058 177.324 177.300 -0.057 0.000 1.689 111 P CA -0.024 63.047 63.100 -0.047 0.000 1.124 111 P CB 0.416 32.143 31.700 0.046 0.000 1.766 112 L N 2.130 123.291 121.223 -0.102 0.000 2.741 112 L HA 0.183 4.523 4.340 -0.000 0.000 0.237 112 L C 1.074 177.932 176.870 -0.019 0.000 1.178 112 L CA -0.055 54.747 54.840 -0.064 0.000 0.973 112 L CB -0.205 41.786 42.059 -0.114 0.000 1.255 112 L HN 0.312 nan 8.230 nan 0.000 0.498 113 D N -0.872 119.519 120.400 -0.015 0.000 2.272 113 D HA 0.175 4.815 4.640 -0.000 0.000 0.247 113 D C 0.851 177.157 176.300 0.011 0.000 0.990 113 D CA -0.442 53.557 54.000 -0.001 0.000 0.931 113 D CB 2.372 43.166 40.800 -0.009 0.000 1.195 113 D HN -0.042 nan 8.370 nan 0.000 0.477 114 G N -0.137 108.667 108.800 0.008 0.000 2.777 114 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.211 114 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.211 114 G C 1.186 176.083 174.900 -0.004 0.000 1.149 114 G CA 0.401 45.503 45.100 0.003 0.000 0.785 114 G HN 0.546 nan 8.290 nan 0.000 0.536 115 T N 1.304 115.864 114.554 0.010 0.000 2.732 115 T HA -0.141 4.209 4.350 -0.000 0.000 0.261 115 T C 2.905 177.678 174.700 0.122 0.000 1.040 115 T CA 2.065 64.181 62.100 0.026 0.000 1.145 115 T CB -0.554 68.352 68.868 0.064 0.000 0.866 115 T HN 0.513 nan 8.240 nan 0.000 0.427 116 T N 1.028 115.657 114.554 0.125 0.000 2.788 116 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 116 T C 1.987 176.743 174.700 0.093 0.000 1.044 116 T CA 1.048 63.229 62.100 0.136 0.000 1.139 116 T CB -0.289 68.627 68.868 0.080 0.000 0.867 116 T HN 0.277 nan 8.240 nan 0.000 0.454 117 R N 0.866 121.398 120.500 0.054 0.000 2.091 117 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 117 R C 2.774 179.082 176.300 0.014 0.000 1.136 117 R CA 1.744 57.864 56.100 0.032 0.000 0.959 117 R CB -0.351 29.962 30.300 0.021 0.000 0.856 117 R HN 0.622 nan 8.270 nan 0.000 0.437 118 Q N -0.736 119.052 119.800 -0.020 0.000 2.046 118 Q HA -0.198 4.142 4.340 -0.000 0.000 0.200 118 Q C 1.727 177.688 176.000 -0.065 0.000 0.975 118 Q CA 1.733 57.488 55.803 -0.079 0.000 0.836 118 Q CB -0.150 28.484 28.738 -0.172 0.000 0.896 118 Q HN 0.502 nan 8.270 nan 0.000 0.428 119 Y N -0.019 120.252 120.300 -0.049 0.000 2.274 119 Y HA -0.184 4.366 4.550 -0.000 0.000 0.290 119 Y C 1.758 177.609 175.900 -0.083 0.000 1.145 119 Y CA 0.821 58.882 58.100 -0.066 0.000 1.203 119 Y CB 0.257 38.666 38.460 -0.085 0.000 0.984 119 Y HN 0.145 nan 8.280 nan 0.000 0.533 120 L N -0.418 120.849 121.223 0.074 0.000 2.607 120 L HA 0.039 4.379 4.340 -0.000 0.000 0.228 120 L C 0.262 177.139 176.870 0.011 0.000 1.123 120 L CA 0.326 55.166 54.840 -0.001 0.000 0.890 120 L CB -0.110 41.927 42.059 -0.037 0.000 1.103 120 L HN 0.155 nan 8.230 nan 0.000 0.468 121 E N 0.056 120.264 120.200 0.013 0.000 2.389 121 E HA -0.280 4.070 4.350 -0.000 0.000 0.243 121 E C 1.155 177.762 176.600 0.012 0.000 1.154 121 E CA 0.248 56.652 56.400 0.006 0.000 0.723 121 E CB -1.686 28.018 29.700 0.006 0.000 1.261 121 E HN 0.673 nan 8.360 nan 0.000 0.390 122 G N -0.010 108.800 108.800 0.017 0.000 2.184 122 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.264 122 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.264 122 G C 0.350 175.271 174.900 0.035 0.000 0.975 122 G CA 0.630 45.745 45.100 0.025 0.000 0.642 122 G HN 0.315 nan 8.290 nan 0.000 0.536 123 R N 0.707 121.230 120.500 0.037 0.000 2.582 123 R HA 0.445 4.785 4.340 -0.000 0.000 0.271 123 R C -2.123 174.227 176.300 0.083 0.000 1.078 123 R CA -1.370 54.761 56.100 0.052 0.000 1.127 123 R CB 0.145 30.473 30.300 0.046 0.000 1.038 123 R HN 0.132 nan 8.270 nan 0.000 0.500 124 P HA 0.055 nan 4.420 nan 0.000 0.272 124 P C -1.438 175.988 177.300 0.210 0.000 1.230 124 P CA 0.111 63.281 63.100 0.116 0.000 0.788 124 P CB 0.388 32.136 31.700 0.079 0.000 0.949 125 Y N -0.198 120.112 120.300 0.017 0.000 2.702 125 Y HA 0.530 5.080 4.550 -0.000 0.000 0.336 125 Y C -1.692 174.214 175.900 0.011 0.000 1.203 125 Y CA -1.115 56.993 58.100 0.014 0.000 1.072 125 Y CB 1.066 39.537 38.460 0.017 0.000 1.327 125 Y HN 0.410 nan 8.280 nan 0.000 0.456 126 A N 4.651 126.996 122.820 -0.791 0.000 2.709 126 A HA 0.632 4.952 4.320 -0.000 0.000 0.332 126 A C -3.015 174.196 177.584 -0.623 0.000 1.241 126 A CA -1.695 50.039 52.037 -0.505 0.000 0.782 126 A CB -0.075 18.709 19.000 -0.360 0.000 1.109 126 A HN 0.369 nan 8.150 nan 0.000 0.472 127 P HA 0.264 nan 4.420 nan 0.000 0.265 127 P C -0.209 177.144 177.300 0.088 0.000 1.222 127 P CA 0.324 63.491 63.100 0.112 0.000 0.767 127 P CB 0.823 32.694 31.700 0.285 0.000 0.801 128 V N 2.083 121.938 119.914 -0.099 0.000 3.007 128 V HA 0.776 4.896 4.120 -0.000 0.000 0.311 128 V C -2.584 172.972 176.094 -0.897 0.000 1.120 128 V CA -2.956 59.064 62.300 -0.466 0.000 0.980 128 V CB 2.343 33.937 31.823 -0.381 0.000 1.033 128 V HN 0.256 nan 8.190 nan 0.000 0.429 129 P HA 0.223 nan 4.420 nan 0.000 0.279 129 P C -0.840 176.217 177.300 -0.405 0.000 1.282 129 P CA 0.009 62.476 63.100 -1.055 0.000 0.788 129 P CB 0.702 31.916 31.700 -0.809 0.000 1.139 130 D N 0.203 120.493 120.400 -0.183 0.000 2.424 130 D HA 0.039 4.679 4.640 -0.000 0.000 0.244 130 D C -1.119 175.168 176.300 -0.021 0.000 1.134 130 D CA -1.646 52.312 54.000 -0.070 0.000 0.881 130 D CB 0.419 41.214 40.800 -0.009 0.000 1.191 130 D HN 0.130 nan 8.370 nan 0.000 0.445 131 P HA -0.188 nan 4.420 nan 0.000 0.215 131 P C 0.756 178.146 177.300 0.149 0.000 1.153 131 P CA 1.158 64.303 63.100 0.076 0.000 0.853 131 P CB 0.239 31.960 31.700 0.035 0.000 0.788 132 E N -0.197 120.053 120.200 0.083 0.000 2.072 132 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 132 E C 2.251 178.897 176.600 0.077 0.000 0.985 132 E CA 0.826 57.268 56.400 0.070 0.000 0.801 132 E CB -0.856 28.867 29.700 0.039 0.000 0.750 132 E HN 0.131 nan 8.360 nan 0.000 0.452 133 V N 1.434 121.397 119.914 0.082 0.000 2.358 133 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 133 V C 2.168 178.332 176.094 0.116 0.000 1.047 133 V CA 1.687 64.035 62.300 0.080 0.000 1.035 133 V CB -0.632 31.236 31.823 0.074 0.000 0.658 133 V HN 0.148 nan 8.190 nan 0.000 0.452 134 F N 1.475 121.427 119.950 0.003 0.000 2.095 134 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 134 F C 2.619 178.495 175.800 0.126 0.000 1.104 134 F CA 2.354 60.373 58.000 0.031 0.000 1.232 134 F CB -0.428 38.563 39.000 -0.014 0.000 0.987 134 F HN -0.056 nan 8.300 nan 0.000 0.475 135 R N 0.249 120.768 120.500 0.031 0.000 2.081 135 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 135 R C 2.353 178.613 176.300 -0.067 0.000 1.131 135 R CA 1.329 57.397 56.100 -0.053 0.000 0.960 135 R CB -0.667 29.656 30.300 0.038 0.000 0.856 135 R HN 0.417 nan 8.270 nan 0.000 0.436 136 A N 0.953 123.758 122.820 -0.025 0.000 1.898 136 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 136 A C 2.184 179.750 177.584 -0.030 0.000 1.181 136 A CA 1.085 53.107 52.037 -0.024 0.000 0.620 136 A CB -0.492 18.508 19.000 -0.000 0.000 0.819 136 A HN 0.327 nan 8.150 nan 0.000 0.442 137 L N -2.110 119.094 121.223 -0.031 0.000 2.046 137 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 137 L C 2.614 179.460 176.870 -0.039 0.000 1.077 137 L CA 1.456 56.275 54.840 -0.035 0.000 0.747 137 L CB -0.478 41.568 42.059 -0.023 0.000 0.896 137 L HN 0.728 nan 8.230 nan 0.000 0.432 138 W N 1.493 122.598 121.300 -0.324 0.000 2.355 138 W HA -0.160 4.500 4.660 -0.000 0.000 0.309 138 W C 2.723 179.089 176.519 -0.255 0.000 1.206 138 W CA 1.408 58.553 57.345 -0.333 0.000 1.284 138 W CB -0.493 28.702 29.460 -0.442 0.000 1.145 138 W HN 0.024 nan 8.180 nan 0.000 0.502 139 R N -0.412 120.068 120.500 -0.033 0.000 2.081 139 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 139 R C 2.273 178.521 176.300 -0.086 0.000 1.131 139 R CA 1.378 57.406 56.100 -0.120 0.000 0.960 139 R CB -0.393 29.829 30.300 -0.130 0.000 0.856 139 R HN -0.072 nan 8.270 nan 0.000 0.436 140 R N 0.471 120.929 120.500 -0.070 0.000 2.081 140 R HA -0.019 4.321 4.340 -0.000 0.000 0.235 140 R C 2.190 178.420 176.300 -0.116 0.000 1.131 140 R CA 1.510 57.566 56.100 -0.073 0.000 0.960 140 R CB -0.918 29.357 30.300 -0.042 0.000 0.856 140 R HN 0.247 nan 8.270 nan 0.000 0.436 141 A N 1.317 124.046 122.820 -0.151 0.000 1.940 141 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 141 A C 2.067 179.511 177.584 -0.233 0.000 1.176 141 A CA 1.568 53.453 52.037 -0.253 0.000 0.631 141 A CB -0.347 18.311 19.000 -0.569 0.000 0.814 141 A HN 0.386 nan 8.150 nan 0.000 0.446 142 E N -0.462 119.651 120.200 -0.146 0.000 2.072 142 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 142 E C 2.368 178.943 176.600 -0.041 0.000 0.985 142 E CA 0.837 57.249 56.400 0.020 0.000 0.801 142 E CB -0.271 29.458 29.700 0.047 0.000 0.750 142 E HN 0.615 nan 8.360 nan 0.000 0.452 143 A N 1.199 123.967 122.820 -0.088 0.000 1.902 143 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 143 A C 2.109 179.603 177.584 -0.150 0.000 1.181 143 A CA 1.056 53.035 52.037 -0.096 0.000 0.623 143 A CB -0.549 18.400 19.000 -0.086 0.000 0.818 143 A HN 0.144 nan 8.150 nan 0.000 0.443 144 L N -1.048 120.017 121.223 -0.264 0.000 2.552 144 L HA 0.129 4.469 4.340 -0.000 0.000 0.227 144 L C 1.661 178.202 176.870 -0.547 0.000 1.146 144 L CA 0.487 55.023 54.840 -0.507 0.000 0.858 144 L CB -0.423 41.107 42.059 -0.882 0.000 0.969 144 L HN 0.595 nan 8.230 nan 0.000 0.451 145 G N -0.512 108.139 108.800 -0.248 0.000 2.176 145 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.252 145 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.252 145 G C 0.006 174.981 174.900 0.124 0.000 1.024 145 G CA -0.265 44.808 45.100 -0.045 0.000 0.755 145 G HN 0.421 nan 8.290 nan 0.000 0.507 146 Y N 0.969 121.335 120.300 0.111 0.000 2.327 146 Y HA 0.376 4.926 4.550 -0.000 0.000 0.336 146 Y C -1.337 174.711 175.900 0.246 0.000 1.035 146 Y CA -2.425 55.752 58.100 0.128 0.000 1.165 146 Y CB 1.272 39.783 38.460 0.085 0.000 1.181 146 Y HN 0.051 nan 8.280 nan 0.000 0.494 147 P HA -0.023 nan 4.420 nan 0.000 0.265 147 P C -1.008 176.460 177.300 0.280 0.000 1.193 147 P CA 0.798 64.038 63.100 0.235 0.000 0.765 147 P CB 0.709 32.480 31.700 0.118 0.000 0.823 148 H N 0.857 119.969 119.070 0.069 0.000 3.014 148 H HA 0.538 5.094 4.556 -0.000 0.000 0.337 148 H C -0.820 174.500 175.328 -0.013 0.000 1.320 148 H CA -1.031 55.035 56.048 0.029 0.000 1.128 148 H CB 1.100 30.883 29.762 0.034 0.000 1.862 148 H HN 0.275 nan 8.280 nan 0.000 0.536 149 R N 0.876 121.363 120.500 -0.022 0.000 2.740 149 R HA 0.590 4.930 4.340 -0.000 0.000 0.282 149 R C -0.946 175.288 176.300 -0.111 0.000 0.969 149 R CA -1.158 54.881 56.100 -0.102 0.000 0.918 149 R CB 2.777 33.044 30.300 -0.055 0.000 1.175 149 R HN 0.406 nan 8.270 nan 0.000 0.464 150 V N 1.343 121.128 119.914 -0.215 0.000 2.444 150 V HA 0.833 4.953 4.120 -0.000 0.000 0.294 150 V C 0.446 176.446 176.094 -0.156 0.000 1.022 150 V CA -0.301 61.821 62.300 -0.297 0.000 0.850 150 V CB 1.466 32.794 31.823 -0.825 0.000 0.992 150 V HN 1.040 nan 8.190 nan 0.000 0.426 151 G N 3.612 112.375 108.800 -0.062 0.000 2.335 151 G HA2 0.376 4.336 3.960 -0.000 0.000 0.291 151 G HA3 0.376 4.336 3.960 -0.000 0.000 0.291 151 G C -1.564 173.320 174.900 -0.027 0.000 1.261 151 G CA -0.989 44.085 45.100 -0.043 0.000 0.871 151 G HN 0.546 nan 8.290 nan 0.000 0.491 152 L N 0.500 121.700 121.223 -0.038 0.000 2.436 152 L HA 0.625 4.965 4.340 -0.000 0.000 0.265 152 L C 0.765 177.580 176.870 -0.091 0.000 1.168 152 L CA -0.733 54.075 54.840 -0.054 0.000 0.815 152 L CB 1.240 43.265 42.059 -0.056 0.000 1.109 152 L HN 0.663 nan 8.230 nan 0.000 0.462 153 V N -0.611 119.227 119.914 -0.126 0.000 3.126 153 V HA 0.966 5.086 4.120 -0.000 0.000 0.314 153 V C -0.542 175.346 176.094 -0.343 0.000 1.138 153 V CA -0.826 61.344 62.300 -0.216 0.000 1.034 153 V CB 1.806 33.545 31.823 -0.140 0.000 1.075 153 V HN 0.810 nan 8.190 nan 0.000 0.442 154 A N 1.040 123.529 122.820 -0.552 0.000 2.343 154 A HA 0.818 5.138 4.320 -0.000 0.000 0.316 154 A C -0.146 177.197 177.584 -0.403 0.000 1.104 154 A CA -0.492 51.159 52.037 -0.644 0.000 0.768 154 A CB 1.455 19.720 19.000 -1.225 0.000 1.213 154 A HN 1.013 nan 8.150 nan 0.000 0.456 155 S N 2.126 117.665 115.700 -0.268 0.000 2.410 155 S HA 0.419 4.889 4.470 -0.000 0.000 0.304 155 S C -0.017 174.527 174.600 -0.093 0.000 1.095 155 S CA -0.545 57.564 58.200 -0.151 0.000 1.089 155 S CB 0.423 63.535 63.200 -0.147 0.000 0.968 155 S HN 0.790 nan 8.310 nan 0.000 0.480 156 E N 2.101 122.292 120.200 -0.015 0.000 2.264 156 E HA 0.497 4.847 4.350 -0.000 0.000 0.260 156 E C -0.775 175.837 176.600 0.021 0.000 0.961 156 E CA -0.868 55.543 56.400 0.018 0.000 0.834 156 E CB 0.915 30.663 29.700 0.080 0.000 1.230 156 E HN 0.189 nan 8.360 nan 0.000 0.412 157 D N 0.118 120.533 120.400 0.025 0.000 2.394 157 D HA 0.144 4.784 4.640 -0.000 0.000 0.226 157 D C 0.021 176.351 176.300 0.050 0.000 0.990 157 D CA 0.582 54.600 54.000 0.029 0.000 0.902 157 D CB 0.463 41.276 40.800 0.022 0.000 1.038 157 D HN 0.499 nan 8.370 nan 0.000 0.499 158 A N 0.682 123.532 122.820 0.050 0.000 2.736 158 A HA 0.242 4.562 4.320 -0.000 0.000 0.335 158 A C 0.596 178.212 177.584 0.053 0.000 1.446 158 A CA -0.553 51.526 52.037 0.071 0.000 1.028 158 A CB -0.699 18.338 19.000 0.061 0.000 1.154 158 A HN 0.081 nan 8.150 nan 0.000 0.507 159 F N 2.189 122.072 119.950 -0.113 0.000 2.087 159 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 159 F C 1.161 176.756 175.800 -0.341 0.000 1.100 159 F CA 2.244 60.080 58.000 -0.273 0.000 1.226 159 F CB -0.109 38.640 39.000 -0.419 0.000 0.983 159 F HN 0.667 nan 8.300 nan 0.000 0.479 160 Y N -0.753 119.635 120.300 0.147 0.000 2.470 160 Y HA 0.315 4.865 4.550 -0.000 0.000 0.284 160 Y C 1.749 177.628 175.900 -0.035 0.000 1.188 160 Y CA 0.002 58.124 58.100 0.037 0.000 1.269 160 Y CB -0.302 38.237 38.460 0.132 0.000 1.094 160 Y HN 0.171 nan 8.280 nan 0.000 0.518 161 A N -0.904 121.939 122.820 0.039 0.000 1.973 161 A HA 0.068 4.388 4.320 -0.000 0.000 0.210 161 A C 1.219 178.771 177.584 -0.053 0.000 1.200 161 A CA 0.250 52.296 52.037 0.015 0.000 0.707 161 A CB -0.389 18.627 19.000 0.027 0.000 0.862 161 A HN 0.125 nan 8.150 nan 0.000 0.461 162 T N 2.542 117.009 114.554 -0.145 0.000 2.853 162 T HA 0.372 4.721 4.350 -0.000 0.000 0.298 162 T C 0.532 175.103 174.700 -0.214 0.000 0.978 162 T CA 0.729 62.698 62.100 -0.218 0.000 1.152 162 T CB 0.364 68.966 68.868 -0.442 0.000 0.914 162 T HN 0.585 nan 8.240 nan 0.000 0.539 163 T N 1.674 116.143 114.554 -0.142 0.000 2.927 163 T HA 0.396 4.746 4.350 -0.000 0.000 0.281 163 T C -1.955 172.674 174.700 -0.117 0.000 0.998 163 T CA -2.233 59.802 62.100 -0.107 0.000 1.019 163 T CB 1.362 70.199 68.868 -0.052 0.000 1.061 163 T HN 0.092 nan 8.240 nan 0.000 0.518 164 P HA 0.031 nan 4.420 nan 0.000 0.217 164 P C 1.863 179.149 177.300 -0.023 0.000 1.150 164 P CA 1.851 64.913 63.100 -0.062 0.000 0.832 164 P CB -0.228 31.447 31.700 -0.042 0.000 0.787 165 E N 0.712 120.902 120.200 -0.017 0.000 2.077 165 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 165 E C 1.857 178.469 176.600 0.020 0.000 0.989 165 E CA 1.638 58.038 56.400 0.001 0.000 0.800 165 E CB -1.560 28.136 29.700 -0.007 0.000 0.746 165 E HN 0.467 nan 8.360 nan 0.000 0.452 166 E N -0.095 120.117 120.200 0.020 0.000 2.106 166 E HA 0.021 4.371 4.350 -0.000 0.000 0.192 166 E C 2.515 179.249 176.600 0.223 0.000 0.984 166 E CA 0.759 57.208 56.400 0.082 0.000 0.806 166 E CB -0.187 29.569 29.700 0.093 0.000 0.750 166 E HN 0.531 nan 8.360 nan 0.000 0.458 167 A N 2.309 125.198 122.820 0.115 0.000 1.877 167 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 167 A C 2.190 179.961 177.584 0.311 0.000 1.186 167 A CA 1.883 54.053 52.037 0.221 0.000 0.620 167 A CB -0.616 18.358 19.000 -0.043 0.000 0.822 167 A HN 0.267 nan 8.150 nan 0.000 0.443 168 R N -0.487 120.109 120.500 0.161 0.000 2.115 168 R HA 0.126 4.466 4.340 -0.000 0.000 0.230 168 R C 2.099 178.485 176.300 0.144 0.000 1.111 168 R CA 1.373 57.553 56.100 0.134 0.000 0.976 168 R CB -0.612 29.729 30.300 0.069 0.000 0.870 168 R HN 0.305 nan 8.270 nan 0.000 0.445 169 A N 1.172 124.065 122.820 0.122 0.000 1.873 169 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 169 A C 1.824 179.496 177.584 0.146 0.000 1.186 169 A CA 1.061 53.136 52.037 0.064 0.000 0.616 169 A CB -1.023 17.935 19.000 -0.070 0.000 0.823 169 A HN 0.577 nan 8.150 nan 0.000 0.442 170 W N -0.276 121.158 121.300 0.224 0.000 2.374 170 W HA -0.026 4.634 4.660 -0.000 0.000 0.288 170 W C 2.661 179.304 176.519 0.205 0.000 1.218 170 W CA 1.118 58.601 57.345 0.231 0.000 1.245 170 W CB 0.022 29.634 29.460 0.253 0.000 1.126 170 W HN 0.403 nan 8.180 nan 0.000 0.545 171 A N 0.341 123.393 122.820 0.387 0.000 2.019 171 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 171 A C 1.868 179.540 177.584 0.147 0.000 1.164 171 A CA 1.199 53.373 52.037 0.228 0.000 0.644 171 A CB -0.573 18.529 19.000 0.170 0.000 0.805 171 A HN 0.300 nan 8.150 nan 0.000 0.449 172 R N -2.123 118.453 120.500 0.127 0.000 2.280 172 R HA -0.051 4.289 4.340 -0.000 0.000 0.207 172 R C 0.268 176.417 176.300 -0.252 0.000 1.043 172 R CA 0.894 56.956 56.100 -0.064 0.000 1.006 172 R CB -0.186 30.044 30.300 -0.117 0.000 0.885 172 R HN 0.709 nan 8.270 nan 0.000 0.467 173 Y N -1.015 119.328 120.300 0.072 0.000 2.607 173 Y HA 0.243 4.793 4.550 -0.000 0.000 0.266 173 Y C 1.398 177.356 175.900 0.095 0.000 1.178 173 Y CA 0.249 58.399 58.100 0.084 0.000 1.226 173 Y CB 1.307 39.840 38.460 0.122 0.000 1.144 173 Y HN 0.201 nan 8.280 nan 0.000 0.528 174 G N -0.372 108.513 108.800 0.141 0.000 2.194 174 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.236 174 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.236 174 G C -0.109 174.832 174.900 0.067 0.000 0.987 174 G CA -0.020 45.131 45.100 0.085 0.000 0.635 174 G HN 0.052 nan 8.290 nan 0.000 0.520 175 V N 2.319 122.297 119.914 0.107 0.000 2.479 175 V HA 0.294 4.414 4.120 -0.000 0.000 0.281 175 V C 1.889 177.977 176.094 -0.011 0.000 1.031 175 V CA 0.522 62.809 62.300 -0.021 0.000 1.038 175 V CB 1.172 32.931 31.823 -0.105 0.000 0.981 175 V HN 0.327 nan 8.190 nan 0.000 0.478 176 L N 4.143 125.335 121.223 -0.050 0.000 2.127 176 L HA 0.372 4.712 4.340 -0.000 0.000 0.203 176 L C 0.996 177.868 176.870 0.004 0.000 1.080 176 L CA 1.248 56.081 54.840 -0.012 0.000 0.768 176 L CB -0.043 42.004 42.059 -0.020 0.000 0.924 176 L HN 0.790 nan 8.230 nan 0.000 0.444 177 A N -1.544 121.240 122.820 -0.060 0.000 2.599 177 A HA 0.654 4.974 4.320 -0.000 0.000 0.290 177 A C -1.868 175.641 177.584 -0.126 0.000 1.101 177 A CA -0.490 51.557 52.037 0.017 0.000 0.674 177 A CB 0.822 19.842 19.000 0.033 0.000 1.277 177 A HN -0.085 nan 8.150 nan 0.000 0.419 178 F N 0.567 120.469 119.950 -0.080 0.000 2.469 178 F HA 0.643 5.170 4.527 -0.000 0.000 0.332 178 F C 0.571 176.318 175.800 -0.088 0.000 1.103 178 F CA -0.011 57.921 58.000 -0.114 0.000 0.979 178 F CB 2.281 41.196 39.000 -0.143 0.000 1.137 178 F HN 0.825 nan 8.300 nan 0.000 0.463 179 E N 0.687 120.919 120.200 0.054 0.000 2.391 179 E HA 0.621 4.970 4.350 -0.000 0.000 0.256 179 E C -1.028 175.579 176.600 0.012 0.000 0.975 179 E CA -0.799 55.619 56.400 0.029 0.000 0.881 179 E CB 1.423 31.109 29.700 -0.022 0.000 1.728 179 E HN 0.476 nan 8.360 nan 0.000 0.446 180 M N -0.314 119.280 119.600 -0.010 0.000 2.848 180 M HA 0.373 4.853 4.480 -0.000 0.000 0.420 180 M C -0.575 175.693 176.300 -0.053 0.000 1.304 180 M CA 0.182 55.472 55.300 -0.017 0.000 0.844 180 M CB 0.716 33.328 32.600 0.019 0.000 1.451 180 M HN 0.551 nan 8.290 nan 0.000 0.511 181 E N -0.276 119.866 120.200 -0.096 0.000 2.640 181 E HA 0.298 4.648 4.350 -0.000 0.000 0.197 181 E C 1.695 178.169 176.600 -0.211 0.000 0.925 181 E CA 0.570 56.899 56.400 -0.118 0.000 1.604 181 E CB 0.129 29.775 29.700 -0.091 0.000 1.769 181 E HN 0.319 nan 8.360 nan 0.000 0.965 182 A N 1.339 123.970 122.820 -0.315 0.000 1.892 182 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 182 A C 2.257 179.401 177.584 -0.733 0.000 1.188 182 A CA 2.529 54.171 52.037 -0.658 0.000 0.631 182 A CB -1.047 17.528 19.000 -0.709 0.000 0.822 182 A HN 0.320 nan 8.150 nan 0.000 0.447 183 S N 0.388 115.864 115.700 -0.374 0.000 2.365 183 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 183 S C 2.112 176.669 174.600 -0.071 0.000 1.039 183 S CA 1.787 59.891 58.200 -0.161 0.000 1.033 183 S CB -0.918 62.241 63.200 -0.068 0.000 0.887 183 S HN 1.076 nan 8.310 nan 0.000 0.447 184 A N 1.618 124.388 122.820 -0.083 0.000 1.930 184 A HA 0.145 4.465 4.320 -0.000 0.000 0.217 184 A C 2.250 179.804 177.584 -0.049 0.000 1.175 184 A CA 1.442 53.460 52.037 -0.032 0.000 0.627 184 A CB -0.825 18.178 19.000 0.005 0.000 0.815 184 A HN 0.557 nan 8.150 nan 0.000 0.443 185 L N -0.872 120.290 121.223 -0.103 0.000 2.017 185 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 185 L C 2.243 179.196 176.870 0.138 0.000 1.073 185 L CA 1.860 56.678 54.840 -0.037 0.000 0.745 185 L CB -0.731 41.264 42.059 -0.107 0.000 0.894 185 L HN 0.466 nan 8.230 nan 0.000 0.432 186 F N -1.461 118.492 119.950 0.006 0.000 2.134 186 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 186 F C 2.345 178.176 175.800 0.051 0.000 1.097 186 F CA 0.622 58.636 58.000 0.024 0.000 1.264 186 F CB -0.291 38.723 39.000 0.023 0.000 1.001 186 F HN 0.247 nan 8.300 nan 0.000 0.479 187 L N 0.819 122.184 121.223 0.237 0.000 1.994 187 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 187 L C 2.041 178.870 176.870 -0.067 0.000 1.071 187 L CA 1.703 56.590 54.840 0.079 0.000 0.745 187 L CB -0.865 41.139 42.059 -0.092 0.000 0.892 187 L HN 0.076 nan 8.230 nan 0.000 0.431 188 L N -0.534 120.620 121.223 -0.116 0.000 2.131 188 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 188 L C 2.516 179.353 176.870 -0.054 0.000 1.092 188 L CA 1.060 55.803 54.840 -0.162 0.000 0.759 188 L CB -1.350 40.613 42.059 -0.159 0.000 0.903 188 L HN 0.504 nan 8.230 nan 0.000 0.435 189 G N -0.226 108.589 108.800 0.026 0.000 2.446 189 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 189 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 189 G C 1.746 176.660 174.900 0.022 0.000 1.168 189 G CA 0.384 45.512 45.100 0.045 0.000 0.771 189 G HN 0.155 nan 8.290 nan 0.000 0.551 190 R N -0.129 120.391 120.500 0.034 0.000 2.073 190 R HA 0.166 4.506 4.340 -0.000 0.000 0.229 190 R C 2.737 179.031 176.300 -0.009 0.000 1.120 190 R CA 0.880 56.998 56.100 0.030 0.000 0.967 190 R CB -0.864 29.493 30.300 0.095 0.000 0.862 190 R HN 0.430 nan 8.270 nan 0.000 0.436 191 M N 0.396 119.963 119.600 -0.056 0.000 2.117 191 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 191 M C 1.439 177.704 176.300 -0.059 0.000 1.065 191 M CA 1.581 56.830 55.300 -0.086 0.000 1.114 191 M CB -0.073 32.421 32.600 -0.176 0.000 1.361 191 M HN -0.124 nan 8.290 nan 0.000 0.408 192 R N 0.009 120.476 120.500 -0.054 0.000 2.359 192 R HA 0.245 4.585 4.340 -0.000 0.000 0.231 192 R C 0.982 177.274 176.300 -0.014 0.000 0.913 192 R CA 0.523 56.604 56.100 -0.033 0.000 1.075 192 R CB -0.589 29.691 30.300 -0.034 0.000 1.087 192 R HN 0.575 nan 8.270 nan 0.000 0.515 193 G N 1.370 110.165 108.800 -0.009 0.000 2.198 193 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 193 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 193 G C 0.322 175.226 174.900 0.006 0.000 1.025 193 G CA 0.634 45.734 45.100 -0.000 0.000 0.769 193 G HN 0.299 nan 8.290 nan 0.000 0.507 194 V N -3.784 116.136 119.914 0.010 0.000 2.975 194 V HA 0.854 4.974 4.120 -0.000 0.000 0.318 194 V C 0.502 176.611 176.094 0.026 0.000 1.077 194 V CA -1.791 60.520 62.300 0.018 0.000 1.000 194 V CB 1.495 33.330 31.823 0.020 0.000 1.066 194 V HN 0.281 nan 8.190 nan 0.000 0.452 195 R N 1.863 122.380 120.500 0.030 0.000 2.202 195 R HA 0.575 4.915 4.340 -0.000 0.000 0.334 195 R C 0.013 176.345 176.300 0.054 0.000 1.036 195 R CA -0.013 56.107 56.100 0.034 0.000 0.878 195 R CB 1.225 31.544 30.300 0.031 0.000 1.067 195 R HN 1.049 nan 8.270 nan 0.000 0.457 196 T N -0.892 113.702 114.554 0.067 0.000 2.942 196 T HA 0.865 5.215 4.350 -0.000 0.000 0.289 196 T C 0.213 174.997 174.700 0.139 0.000 1.044 196 T CA -0.870 61.310 62.100 0.133 0.000 1.023 196 T CB 2.414 71.421 68.868 0.232 0.000 1.123 196 T HN 0.615 nan 8.240 nan 0.000 0.512 197 G N -0.834 108.119 108.800 0.256 0.000 2.623 197 G HA2 0.771 4.731 3.960 -0.000 0.000 0.290 197 G HA3 0.771 4.731 3.960 -0.000 0.000 0.290 197 G C -1.810 173.315 174.900 0.375 0.000 1.437 197 G CA -0.525 44.749 45.100 0.289 0.000 0.798 197 G HN 1.292 nan 8.290 nan 0.000 0.488 198 A N -0.250 122.788 122.820 0.363 0.000 2.517 198 A HA 0.784 5.104 4.320 -0.000 0.000 0.297 198 A C -1.490 176.191 177.584 0.161 0.000 1.050 198 A CA -0.443 51.729 52.037 0.224 0.000 0.694 198 A CB 1.477 20.579 19.000 0.170 0.000 1.277 198 A HN 1.590 nan 8.150 nan 0.000 0.400 199 I N 2.609 123.231 120.570 0.086 0.000 2.569 199 I HA 0.711 4.881 4.170 -0.000 0.000 0.290 199 I C -1.709 174.429 176.117 0.035 0.000 1.088 199 I CA -0.995 60.340 61.300 0.059 0.000 1.047 199 I CB 1.435 39.459 38.000 0.039 0.000 1.237 199 I HN 0.667 nan 8.210 nan 0.000 0.421 200 L N 6.832 128.074 121.223 0.031 0.000 2.333 200 L HA 0.865 5.205 4.340 -0.000 0.000 0.263 200 L C -0.512 176.369 176.870 0.018 0.000 1.014 200 L CA -0.845 54.006 54.840 0.017 0.000 0.820 200 L CB 1.927 43.993 42.059 0.011 0.000 1.352 200 L HN 0.624 nan 8.230 nan 0.000 0.421 201 A N 1.141 123.967 122.820 0.009 0.000 2.318 201 A HA 0.666 4.986 4.320 -0.000 0.000 0.317 201 A C -0.543 177.044 177.584 0.005 0.000 1.159 201 A CA -0.549 51.491 52.037 0.005 0.000 0.799 201 A CB 1.224 20.219 19.000 -0.008 0.000 1.194 201 A HN 0.383 nan 8.150 nan 0.000 0.479 202 V N 3.466 123.386 119.914 0.009 0.000 2.450 202 V HA 0.081 4.201 4.120 -0.000 0.000 0.281 202 V C 1.428 177.526 176.094 0.006 0.000 1.019 202 V CA 1.198 63.505 62.300 0.012 0.000 1.062 202 V CB 0.495 32.327 31.823 0.015 0.000 0.979 202 V HN 1.101 nan 8.190 nan 0.000 0.477 203 S N 3.187 118.893 115.700 0.009 0.000 2.524 203 S HA 0.176 4.646 4.470 -0.000 0.000 0.215 203 S C 0.485 175.091 174.600 0.010 0.000 0.986 203 S CA 0.049 58.252 58.200 0.005 0.000 0.911 203 S CB -0.104 63.100 63.200 0.006 0.000 0.805 203 S HN 0.951 nan 8.310 nan 0.000 0.501 204 N N -0.044 118.664 118.700 0.013 0.000 3.856 204 N HA 0.184 4.924 4.740 -0.000 0.000 0.237 204 N C -2.035 173.478 175.510 0.005 0.000 1.351 204 N CA -0.707 52.348 53.050 0.009 0.000 0.805 204 N CB 0.604 39.098 38.487 0.011 0.000 1.487 204 N HN 0.010 nan 8.380 nan 0.000 0.431 205 R N 0.115 120.613 120.500 -0.004 0.000 2.532 205 R HA 0.532 4.872 4.340 -0.000 0.000 0.295 205 R C 0.027 176.302 176.300 -0.042 0.000 0.968 205 R CA -0.717 55.379 56.100 -0.008 0.000 0.916 205 R CB 0.772 31.070 30.300 -0.002 0.000 1.124 205 R HN 0.479 nan 8.270 nan 0.000 0.463 206 I N 2.745 123.275 120.570 -0.066 0.000 2.821 206 I HA -0.007 4.163 4.170 -0.000 0.000 0.294 206 I C 1.403 177.450 176.117 -0.116 0.000 1.210 206 I CA 1.416 62.627 61.300 -0.149 0.000 1.430 206 I CB -0.117 37.752 38.000 -0.217 0.000 1.356 206 I HN 1.014 nan 8.210 nan 0.000 0.563 207 G N 5.138 113.861 108.800 -0.128 0.000 2.184 207 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.206 207 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.206 207 G C -0.063 174.815 174.900 -0.037 0.000 0.995 207 G CA -0.503 44.551 45.100 -0.076 0.000 0.651 207 G HN 0.526 nan 8.290 nan 0.000 0.511 208 D N 0.893 121.274 120.400 -0.032 0.000 2.277 208 D HA 0.494 5.134 4.640 -0.000 0.000 0.249 208 D C -0.846 175.471 176.300 0.027 0.000 1.134 208 D CA -1.469 52.530 54.000 -0.002 0.000 0.863 208 D CB 1.564 42.364 40.800 -0.000 0.000 1.143 208 D HN 0.058 nan 8.370 nan 0.000 0.458 209 P HA -0.049 nan 4.420 nan 0.000 0.220 209 P C -0.292 177.051 177.300 0.071 0.000 1.148 209 P CA 0.981 64.118 63.100 0.062 0.000 0.803 209 P CB 0.536 32.260 31.700 0.040 0.000 0.782 210 E N -1.903 118.327 120.200 0.049 0.000 2.433 210 E HA 0.430 4.780 4.350 -0.000 0.000 0.273 210 E C -0.621 176.000 176.600 0.035 0.000 0.950 210 E CA -0.972 55.455 56.400 0.044 0.000 0.796 210 E CB 1.424 31.140 29.700 0.026 0.000 1.330 210 E HN -0.147 nan 8.360 nan 0.000 0.455 211 L N 1.136 122.375 121.223 0.027 0.000 2.439 211 L HA 0.523 4.863 4.340 -0.000 0.000 0.259 211 L C 0.663 177.535 176.870 0.004 0.000 1.129 211 L CA -0.739 54.111 54.840 0.017 0.000 0.803 211 L CB 0.571 42.636 42.059 0.010 0.000 1.161 211 L HN 0.644 nan 8.230 nan 0.000 0.462 212 A N 1.752 124.572 122.820 -0.000 0.000 2.433 212 A HA 0.259 4.578 4.320 -0.000 0.000 0.250 212 A C -2.186 175.391 177.584 -0.013 0.000 1.113 212 A CA -0.719 51.315 52.037 -0.006 0.000 0.794 212 A CB -1.018 17.977 19.000 -0.007 0.000 1.067 212 A HN 0.528 nan 8.150 nan 0.000 0.510 213 P HA 0.040 nan 4.420 nan 0.000 0.262 213 P C -1.763 175.519 177.300 -0.029 0.000 1.182 213 P CA -0.674 62.415 63.100 -0.018 0.000 0.761 213 P CB 0.191 31.882 31.700 -0.015 0.000 0.795 214 P HA -0.225 nan 4.420 nan 0.000 0.218 214 P C 1.208 178.471 177.300 -0.061 0.000 1.146 214 P CA 1.474 64.542 63.100 -0.054 0.000 0.813 214 P CB 0.283 31.951 31.700 -0.053 0.000 0.778 215 E N 0.169 120.343 120.200 -0.044 0.000 2.033 215 E HA -0.089 4.261 4.350 -0.000 0.000 0.189 215 E C 1.989 178.566 176.600 -0.039 0.000 0.979 215 E CA 0.865 57.241 56.400 -0.040 0.000 0.802 215 E CB -0.340 29.345 29.700 -0.024 0.000 0.763 215 E HN -0.072 nan 8.360 nan 0.000 0.449 216 V N 1.520 121.415 119.914 -0.031 0.000 2.490 216 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 216 V C 2.435 178.506 176.094 -0.038 0.000 1.061 216 V CA 1.419 63.703 62.300 -0.028 0.000 1.064 216 V CB -0.492 31.320 31.823 -0.019 0.000 0.670 216 V HN 0.338 nan 8.190 nan 0.000 0.461 217 L N -0.018 121.178 121.223 -0.046 0.000 2.072 217 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 217 L C 2.415 179.237 176.870 -0.080 0.000 1.079 217 L CA 1.912 56.719 54.840 -0.055 0.000 0.752 217 L CB -0.768 41.257 42.059 -0.057 0.000 0.906 217 L HN 0.307 nan 8.230 nan 0.000 0.436 218 Q N 0.068 119.808 119.800 -0.100 0.000 2.096 218 Q HA -0.270 4.070 4.340 -0.000 0.000 0.204 218 Q C 2.151 178.100 176.000 -0.085 0.000 0.982 218 Q CA 2.077 57.794 55.803 -0.143 0.000 0.850 218 Q CB -0.305 28.340 28.738 -0.154 0.000 0.901 218 Q HN 0.593 nan 8.270 nan 0.000 0.422 219 E N -0.970 119.198 120.200 -0.054 0.000 2.150 219 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 219 E C 1.749 178.308 176.600 -0.068 0.000 0.985 219 E CA 1.537 57.912 56.400 -0.041 0.000 0.814 219 E CB -0.856 28.817 29.700 -0.046 0.000 0.752 219 E HN 0.436 nan 8.360 nan 0.000 0.466 220 G N -0.095 108.667 108.800 -0.065 0.000 2.394 220 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 220 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 220 G C 1.706 176.582 174.900 -0.038 0.000 1.165 220 G CA 0.815 45.877 45.100 -0.063 0.000 0.784 220 G HN 0.247 nan 8.290 nan 0.000 0.535 221 V N 0.601 120.495 119.914 -0.032 0.000 2.343 221 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 221 V C 2.782 178.943 176.094 0.111 0.000 1.051 221 V CA 2.050 64.350 62.300 -0.001 0.000 1.036 221 V CB -0.424 31.346 31.823 -0.089 0.000 0.654 221 V HN 0.377 nan 8.190 nan 0.000 0.451 222 R N 0.023 120.625 120.500 0.170 0.000 2.073 222 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 222 R C 2.586 179.016 176.300 0.216 0.000 1.134 222 R CA 1.656 57.988 56.100 0.387 0.000 0.952 222 R CB -0.185 30.338 30.300 0.371 0.000 0.850 222 R HN 0.426 nan 8.270 nan 0.000 0.433 223 R N 0.246 120.750 120.500 0.007 0.000 2.083 223 R HA -0.179 4.160 4.340 -0.000 0.000 0.237 223 R C 2.469 178.805 176.300 0.059 0.000 1.137 223 R CA 2.072 58.097 56.100 -0.125 0.000 0.951 223 R CB -0.488 29.472 30.300 -0.566 0.000 0.851 223 R HN 0.363 nan 8.270 nan 0.000 0.434 224 M N 0.755 120.368 119.600 0.021 0.000 2.080 224 M HA -0.185 4.295 4.480 -0.000 0.000 0.260 224 M C 1.938 178.227 176.300 -0.019 0.000 1.068 224 M CA 1.812 57.125 55.300 0.022 0.000 1.109 224 M CB -0.048 32.559 32.600 0.012 0.000 1.342 224 M HN -0.002 nan 8.290 nan 0.000 0.405 225 V N 0.744 120.621 119.914 -0.063 0.000 2.358 225 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 225 V C 2.347 178.214 176.094 -0.378 0.000 1.047 225 V CA 2.347 64.488 62.300 -0.265 0.000 1.035 225 V CB -0.981 30.585 31.823 -0.428 0.000 0.658 225 V HN 0.623 nan 8.190 nan 0.000 0.452 226 E N 0.092 120.174 120.200 -0.197 0.000 2.058 226 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 226 E C 2.227 178.822 176.600 -0.009 0.000 0.997 226 E CA 1.779 58.161 56.400 -0.030 0.000 0.801 226 E CB -0.045 29.832 29.700 0.295 0.000 0.746 226 E HN 0.403 nan 8.360 nan 0.000 0.450 227 V N 1.267 121.212 119.914 0.052 0.000 2.287 227 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 227 V C 2.477 178.551 176.094 -0.035 0.000 1.053 227 V CA 1.914 64.233 62.300 0.031 0.000 1.027 227 V CB -0.857 31.002 31.823 0.060 0.000 0.646 227 V HN 0.463 nan 8.190 nan 0.000 0.447 228 A N -0.346 122.430 122.820 -0.073 0.000 1.908 228 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 228 A C 2.227 179.727 177.584 -0.140 0.000 1.181 228 A CA 1.951 53.934 52.037 -0.089 0.000 0.627 228 A CB -0.570 18.371 19.000 -0.098 0.000 0.818 228 A HN 0.502 nan 8.150 nan 0.000 0.445 229 L N -0.618 120.441 121.223 -0.272 0.000 2.017 229 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 229 L C 2.702 179.467 176.870 -0.174 0.000 1.073 229 L CA 1.457 56.036 54.840 -0.435 0.000 0.745 229 L CB -0.611 40.823 42.059 -1.042 0.000 0.894 229 L HN 0.363 nan 8.230 nan 0.000 0.432 230 E N 0.162 120.339 120.200 -0.038 0.000 2.110 230 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 230 E C 2.232 178.860 176.600 0.047 0.000 0.988 230 E CA 1.372 57.831 56.400 0.097 0.000 0.804 230 E CB -0.195 29.556 29.700 0.084 0.000 0.745 230 E HN 0.505 nan 8.360 nan 0.000 0.458 231 A N 1.425 124.247 122.820 0.004 0.000 1.855 231 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 231 A C 2.577 180.170 177.584 0.016 0.000 1.191 231 A CA 1.924 53.964 52.037 0.005 0.000 0.613 231 A CB -0.919 18.079 19.000 -0.003 0.000 0.829 231 A HN 0.209 nan 8.150 nan 0.000 0.442 232 V N -2.460 117.458 119.914 0.007 0.000 2.594 232 V HA -0.171 3.949 4.120 -0.000 0.000 0.253 232 V C 2.139 178.257 176.094 0.039 0.000 1.069 232 V CA 1.908 64.220 62.300 0.020 0.000 1.082 232 V CB -0.943 30.885 31.823 0.008 0.000 0.680 232 V HN 0.247 nan 8.190 nan 0.000 0.469 233 L N 0.489 121.748 121.223 0.060 0.000 2.275 233 L HA 0.038 4.378 4.340 -0.000 0.000 0.215 233 L C 2.612 179.513 176.870 0.051 0.000 1.119 233 L CA 1.563 56.450 54.840 0.078 0.000 0.790 233 L CB -0.841 41.295 42.059 0.129 0.000 0.919 233 L HN 0.402 nan 8.230 nan 0.000 0.443 234 E N -0.688 119.535 120.200 0.038 0.000 2.435 234 E HA 0.043 4.393 4.350 -0.000 0.000 0.195 234 E C 0.563 177.176 176.600 0.021 0.000 1.029 234 E CA 0.360 56.774 56.400 0.024 0.000 0.865 234 E CB 0.213 29.922 29.700 0.015 0.000 0.833 234 E HN 0.380 nan 8.360 nan 0.000 0.510 235 V N 0.000 119.929 119.914 0.025 0.000 2.409 235 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 235 V CA 0.000 62.314 62.300 0.024 0.000 1.235 235 V CB 0.000 31.839 31.823 0.027 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556