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 1odl_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 0.000 174.590 174.600 -0.017 0.000 1.055 2 S CA 0.000 58.206 58.200 0.009 0.000 1.107 2 S CB 0.000 63.164 63.200 -0.059 0.000 0.593 3 P HA 0.333 nan 4.420 nan 0.000 0.270 3 P C 0.945 178.238 177.300 -0.012 0.000 1.227 3 P CA -0.397 62.714 63.100 0.018 0.000 0.788 3 P CB 0.341 32.073 31.700 0.053 0.000 0.926 4 I N -0.038 120.531 120.570 -0.002 0.000 2.202 4 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 4 I C 1.643 177.621 176.117 -0.231 0.000 1.091 4 I CA 1.611 62.817 61.300 -0.158 0.000 1.368 4 I CB -0.383 37.470 38.000 -0.244 0.000 1.058 4 I HN 0.473 nan 8.210 nan 0.000 0.410 5 H N -1.004 118.135 119.070 0.115 0.000 2.406 5 H HA 0.210 4.766 4.556 -0.000 0.000 0.304 5 H C 0.465 175.933 175.328 0.232 0.000 1.042 5 H CA 0.195 56.368 56.048 0.209 0.000 1.360 5 H CB -0.116 29.715 29.762 0.114 0.000 1.448 5 H HN -0.082 nan 8.280 nan 0.000 0.553 6 V N 3.401 123.472 119.914 0.262 0.000 2.299 6 V HA 0.156 4.276 4.120 -0.000 0.000 0.255 6 V C 0.138 176.294 176.094 0.103 0.000 1.100 6 V CA -0.160 62.256 62.300 0.195 0.000 0.938 6 V CB 0.093 32.024 31.823 0.179 0.000 1.139 6 V HN 0.315 nan 8.190 nan 0.000 0.490 7 R N 3.682 124.218 120.500 0.060 0.000 3.701 7 R HA 0.575 4.915 4.340 -0.000 0.000 0.210 7 R C 0.236 176.454 176.300 -0.137 0.000 1.598 7 R CA 0.052 56.101 56.100 -0.085 0.000 1.427 7 R CB 0.461 30.660 30.300 -0.169 0.000 1.339 7 R HN 0.731 nan 8.270 nan 0.000 0.720 8 A N 1.433 124.156 122.820 -0.161 0.000 2.387 8 A HA 0.615 4.935 4.320 -0.000 0.000 0.303 8 A C -0.891 176.455 177.584 -0.397 0.000 1.145 8 A CA -0.787 51.117 52.037 -0.221 0.000 0.801 8 A CB 1.171 20.093 19.000 -0.130 0.000 1.342 8 A HN 0.457 nan 8.150 nan 0.000 0.440 9 H N 0.202 119.240 119.070 -0.053 0.000 2.621 9 H HA 0.457 5.013 4.556 -0.000 0.000 0.360 9 H C -2.526 172.753 175.328 -0.081 0.000 1.163 9 H CA -1.929 54.088 56.048 -0.050 0.000 1.194 9 H CB 1.524 31.267 29.762 -0.032 0.000 1.649 9 H HN 0.440 nan 8.280 nan 0.000 0.532 10 P HA 0.074 nan 4.420 nan 0.000 0.265 10 P C 0.681 177.982 177.300 0.001 0.000 1.222 10 P CA 0.736 63.837 63.100 0.001 0.000 0.767 10 P CB 0.648 32.355 31.700 0.010 0.000 0.801 11 G N 3.547 112.325 108.800 -0.035 0.000 2.813 11 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.194 11 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.194 11 G C 0.654 175.525 174.900 -0.047 0.000 1.010 11 G CA -0.227 44.859 45.100 -0.023 0.000 0.771 11 G HN 0.427 nan 8.290 nan 0.000 0.485 12 D N 0.327 120.658 120.400 -0.115 0.000 2.240 12 D HA 0.182 4.822 4.640 -0.000 0.000 0.206 12 D C 1.074 177.150 176.300 -0.374 0.000 0.963 12 D CA 0.767 54.641 54.000 -0.209 0.000 0.863 12 D CB 0.840 41.447 40.800 -0.321 0.000 0.973 12 D HN 0.305 nan 8.370 nan 0.000 0.501 13 V N 1.554 121.247 119.914 -0.368 0.000 2.439 13 V HA 0.527 4.647 4.120 -0.000 0.000 0.282 13 V C 0.504 176.539 176.094 -0.098 0.000 1.039 13 V CA -1.010 61.111 62.300 -0.298 0.000 0.913 13 V CB 1.338 32.989 31.823 -0.287 0.000 0.983 13 V HN 0.043 nan 8.190 nan 0.000 0.460 14 A N 3.258 126.064 122.820 -0.023 0.000 2.287 14 A HA 0.417 4.737 4.320 -0.000 0.000 0.273 14 A C 1.039 178.633 177.584 0.016 0.000 1.091 14 A CA -0.277 51.769 52.037 0.015 0.000 0.817 14 A CB 0.257 19.289 19.000 0.054 0.000 1.069 14 A HN 0.923 nan 8.150 nan 0.000 0.492 15 E N 0.012 120.225 120.200 0.021 0.000 2.106 15 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 15 E C 0.141 176.760 176.600 0.031 0.000 0.984 15 E CA 0.811 57.224 56.400 0.021 0.000 0.806 15 E CB 0.032 29.745 29.700 0.021 0.000 0.750 15 E HN 0.525 nan 8.360 nan 0.000 0.458 16 R N 0.800 121.324 120.500 0.039 0.000 2.312 16 R HA 0.396 4.736 4.340 -0.000 0.000 0.311 16 R C -0.956 175.374 176.300 0.050 0.000 1.004 16 R CA -0.324 55.801 56.100 0.042 0.000 0.902 16 R CB 1.825 32.150 30.300 0.043 0.000 1.073 16 R HN -0.147 nan 8.270 nan 0.000 0.457 17 V N 4.424 124.367 119.914 0.049 0.000 2.808 17 V HA 0.358 4.478 4.120 -0.000 0.000 0.308 17 V C -0.415 175.708 176.094 0.048 0.000 1.099 17 V CA -0.899 61.439 62.300 0.064 0.000 0.920 17 V CB 2.254 34.126 31.823 0.082 0.000 1.014 17 V HN 0.591 nan 8.190 nan 0.000 0.425 18 L N 4.589 125.838 121.223 0.044 0.000 2.325 18 L HA 0.608 4.948 4.340 -0.000 0.000 0.279 18 L C -0.796 176.107 176.870 0.054 0.000 1.054 18 L CA -0.596 54.259 54.840 0.024 0.000 0.804 18 L CB 1.653 43.700 42.059 -0.019 0.000 1.200 18 L HN 0.486 nan 8.230 nan 0.000 0.436 19 L N 5.264 126.514 121.223 0.045 0.000 2.408 19 L HA 0.384 4.724 4.340 -0.000 0.000 0.257 19 L C -2.312 174.580 176.870 0.037 0.000 1.053 19 L CA -1.529 53.341 54.840 0.050 0.000 0.922 19 L CB 1.327 43.411 42.059 0.041 0.000 1.261 19 L HN 0.322 nan 8.230 nan 0.000 0.458 20 P HA 0.180 nan 4.420 nan 0.000 0.284 20 P C 0.504 177.817 177.300 0.022 0.000 1.258 20 P CA -0.332 62.791 63.100 0.039 0.000 0.824 20 P CB 2.203 33.944 31.700 0.069 0.000 1.038 21 G N 1.067 109.864 108.800 -0.004 0.000 2.494 21 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.216 21 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.216 21 G C 0.323 175.198 174.900 -0.041 0.000 1.140 21 G CA 0.362 45.445 45.100 -0.028 0.000 0.801 21 G HN 0.506 nan 8.290 nan 0.000 0.536 22 D N 0.539 120.920 120.400 -0.032 0.000 2.313 22 D HA 0.229 4.869 4.640 -0.000 0.000 0.239 22 D C -1.003 175.285 176.300 -0.020 0.000 1.142 22 D CA -2.539 51.431 54.000 -0.051 0.000 0.847 22 D CB 2.098 42.869 40.800 -0.048 0.000 1.082 22 D HN 0.023 nan 8.370 nan 0.000 0.480 23 P HA -0.091 nan 4.420 nan 0.000 0.219 23 P C 1.277 178.621 177.300 0.074 0.000 1.146 23 P CA 0.735 63.798 63.100 -0.062 0.000 0.808 23 P CB 0.259 31.688 31.700 -0.452 0.000 0.779 24 G N 0.422 109.216 108.800 -0.011 0.000 2.408 24 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 24 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 24 G C 1.896 176.907 174.900 0.185 0.000 1.150 24 G CA 0.356 45.515 45.100 0.098 0.000 0.776 24 G HN 0.262 nan 8.290 nan 0.000 0.542 25 R N 0.346 120.929 120.500 0.139 0.000 2.119 25 R HA 0.172 4.511 4.340 -0.000 0.000 0.222 25 R C 2.816 179.282 176.300 0.277 0.000 1.088 25 R CA 1.117 57.340 56.100 0.205 0.000 0.984 25 R CB -0.247 30.122 30.300 0.115 0.000 0.884 25 R HN 0.272 nan 8.270 nan 0.000 0.447 26 A N 1.198 124.161 122.820 0.239 0.000 1.858 26 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 26 A C 2.005 179.651 177.584 0.104 0.000 1.190 26 A CA 1.747 53.937 52.037 0.254 0.000 0.617 26 A CB -0.646 18.590 19.000 0.393 0.000 0.827 26 A HN 0.580 nan 8.150 nan 0.000 0.443 27 E N -1.712 118.602 120.200 0.188 0.000 2.077 27 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 27 E C 1.832 178.376 176.600 -0.093 0.000 0.989 27 E CA 1.476 57.785 56.400 -0.152 0.000 0.800 27 E CB -0.320 29.549 29.700 0.282 0.000 0.746 27 E HN 0.758 nan 8.360 nan 0.000 0.452 28 W N 1.146 122.427 121.300 -0.030 0.000 2.358 28 W HA -0.107 4.553 4.660 -0.000 0.000 0.303 28 W C 1.818 178.361 176.519 0.040 0.000 1.208 28 W CA 1.573 58.920 57.345 0.004 0.000 1.274 28 W CB -0.190 29.298 29.460 0.047 0.000 1.138 28 W HN 0.061 nan 8.180 nan 0.000 0.515 29 I N 0.538 121.161 120.570 0.089 0.000 2.226 29 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 29 I C 2.624 178.689 176.117 -0.087 0.000 1.100 29 I CA 1.417 62.718 61.300 0.001 0.000 1.374 29 I CB -1.120 36.923 38.000 0.072 0.000 1.057 29 I HN 0.067 nan 8.210 nan 0.000 0.413 30 A N 1.022 123.722 122.820 -0.200 0.000 1.865 30 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 30 A C 2.319 179.774 177.584 -0.215 0.000 1.191 30 A CA 1.785 53.675 52.037 -0.244 0.000 0.623 30 A CB -0.483 18.146 19.000 -0.617 0.000 0.826 30 A HN 0.321 nan 8.150 nan 0.000 0.444 31 K N -1.137 119.090 120.400 -0.289 0.000 2.155 31 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 31 K C 1.961 178.381 176.600 -0.300 0.000 1.052 31 K CA 1.549 57.690 56.287 -0.243 0.000 0.948 31 K CB -0.185 32.191 32.500 -0.206 0.000 0.728 31 K HN 0.485 nan 8.250 nan 0.000 0.448 32 T N 0.077 114.342 114.554 -0.483 0.000 2.894 32 T HA 0.014 4.364 4.350 -0.000 0.000 0.258 32 T C 1.257 175.585 174.700 -0.620 0.000 1.043 32 T CA 0.999 62.681 62.100 -0.695 0.000 1.141 32 T CB -0.036 68.018 68.868 -1.356 0.000 0.873 32 T HN 0.071 nan 8.240 nan 0.000 0.449 33 F N 0.374 120.157 119.950 -0.278 0.000 2.653 33 F HA 0.441 4.968 4.527 -0.000 0.000 0.288 33 F C 0.666 176.490 175.800 0.040 0.000 1.121 33 F CA -0.285 57.666 58.000 -0.082 0.000 1.384 33 F CB 0.056 39.003 39.000 -0.088 0.000 1.115 33 F HN -0.046 nan 8.300 nan 0.000 0.599 34 L N 0.969 122.285 121.223 0.154 0.000 2.357 34 L HA 0.367 4.707 4.340 -0.000 0.000 0.273 34 L C -0.135 176.769 176.870 0.057 0.000 1.080 34 L CA -0.696 54.225 54.840 0.134 0.000 0.803 34 L CB 0.819 42.939 42.059 0.101 0.000 1.174 34 L HN -0.017 nan 8.230 nan 0.000 0.443 35 Q N 1.249 121.086 119.800 0.061 0.000 2.235 35 Q HA 0.231 4.571 4.340 -0.000 0.000 0.250 35 Q C -0.477 175.542 176.000 0.032 0.000 0.909 35 Q CA -0.680 55.139 55.803 0.025 0.000 0.910 35 Q CB 0.982 29.730 28.738 0.016 0.000 1.223 35 Q HN 0.524 nan 8.270 nan 0.000 0.432 36 N N 0.193 118.904 118.700 0.018 0.000 2.714 36 N HA -0.138 4.602 4.740 -0.000 0.000 0.253 36 N C -2.773 172.765 175.510 0.046 0.000 1.024 36 N CA 0.226 53.292 53.050 0.027 0.000 0.726 36 N CB -1.258 37.247 38.487 0.030 0.000 0.908 36 N HN 0.362 nan 8.380 nan 0.000 0.542 37 P HA 0.104 nan 4.420 nan 0.000 0.271 37 P C -0.150 177.212 177.300 0.103 0.000 1.216 37 P CA 0.135 63.276 63.100 0.070 0.000 0.771 37 P CB 0.726 32.427 31.700 0.001 0.000 0.864 38 R N 2.436 123.030 120.500 0.158 0.000 2.538 38 R HA 0.406 4.746 4.340 -0.000 0.000 0.292 38 R C -0.776 175.595 176.300 0.118 0.000 1.008 38 R CA -0.912 55.264 56.100 0.127 0.000 0.896 38 R CB 1.363 31.725 30.300 0.104 0.000 1.187 38 R HN 0.334 nan 8.270 nan 0.000 0.440 39 R N 3.891 124.383 120.500 -0.014 0.000 2.216 39 R HA 0.091 4.431 4.340 -0.000 0.000 0.332 39 R C -0.052 176.115 176.300 -0.222 0.000 1.056 39 R CA -0.154 55.735 56.100 -0.351 0.000 0.901 39 R CB 0.408 30.391 30.300 -0.529 0.000 1.039 39 R HN 0.741 nan 8.270 nan 0.000 0.456 40 Y N 1.698 121.897 120.300 -0.168 0.000 2.478 40 Y HA 0.391 4.940 4.550 -0.000 0.000 0.261 40 Y C -0.381 175.454 175.900 -0.107 0.000 1.127 40 Y CA -0.871 57.170 58.100 -0.097 0.000 1.288 40 Y CB 0.232 38.662 38.460 -0.050 0.000 1.084 40 Y HN 0.515 nan 8.280 nan 0.000 0.530 41 N N 0.137 118.669 118.700 -0.281 0.000 2.636 41 N HA 0.197 4.937 4.740 -0.000 0.000 0.261 41 N C -1.142 174.276 175.510 -0.152 0.000 1.195 41 N CA 0.037 53.025 53.050 -0.104 0.000 0.902 41 N CB 1.457 39.992 38.487 0.079 0.000 1.627 41 N HN 0.191 nan 8.380 nan 0.000 0.491 42 D N -0.059 120.361 120.400 0.032 0.000 2.497 42 D HA -0.004 4.636 4.640 -0.000 0.000 0.256 42 D C -0.340 176.119 176.300 0.265 0.000 1.273 42 D CA -0.094 54.039 54.000 0.222 0.000 0.812 42 D CB -0.683 40.149 40.800 0.054 0.000 1.190 42 D HN 0.620 nan 8.370 nan 0.000 0.524 43 H N 2.517 121.644 119.070 0.094 0.000 3.094 43 H HA 0.039 4.595 4.556 -0.000 0.000 0.320 43 H C 0.378 175.755 175.328 0.082 0.000 1.000 43 H CA 1.075 57.167 56.048 0.073 0.000 1.413 43 H CB 0.421 30.208 29.762 0.042 0.000 1.405 43 H HN 0.066 nan 8.280 nan 0.000 0.586 44 R N 2.474 122.716 120.500 -0.429 0.000 3.863 44 R HA -0.218 4.122 4.340 -0.000 0.000 0.313 44 R C 1.067 177.282 176.300 -0.142 0.000 1.202 44 R CA 0.815 56.728 56.100 -0.311 0.000 0.852 44 R CB -1.807 28.305 30.300 -0.314 0.000 1.292 44 R HN 1.107 nan 8.270 nan 0.000 0.519 45 G N 0.015 108.768 108.800 -0.079 0.000 2.166 45 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 45 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 45 G C 0.222 174.995 174.900 -0.213 0.000 0.986 45 G CA 0.495 45.468 45.100 -0.211 0.000 0.683 45 G HN 0.331 nan 8.290 nan 0.000 0.527 46 L N 0.540 121.753 121.223 -0.017 0.000 2.583 46 L HA 0.270 4.610 4.340 -0.000 0.000 0.239 46 L C 0.522 177.472 176.870 0.133 0.000 1.347 46 L CA -1.101 53.756 54.840 0.028 0.000 1.246 46 L CB -0.324 41.771 42.059 0.059 0.000 1.496 46 L HN 0.117 nan 8.230 nan 0.000 0.413 47 W N 1.692 122.935 121.300 -0.095 0.000 2.385 47 W HA 0.249 4.909 4.660 -0.000 0.000 0.336 47 W C 0.905 177.214 176.519 -0.349 0.000 1.351 47 W CA -0.643 56.560 57.345 -0.237 0.000 1.295 47 W CB 0.121 29.515 29.460 -0.109 0.000 1.239 47 W HN 0.252 nan 8.180 nan 0.000 0.565 48 G N 3.596 112.065 108.800 -0.552 0.000 2.590 48 G HA2 0.662 4.622 3.960 -0.000 0.000 0.310 48 G HA3 0.662 4.622 3.960 -0.000 0.000 0.310 48 G C -2.140 171.911 174.900 -1.414 0.000 1.347 48 G CA -0.566 44.014 45.100 -0.866 0.000 0.963 48 G HN 0.269 nan 8.290 nan 0.000 0.494 49 Y N 0.061 120.093 120.300 -0.448 0.000 2.536 49 Y HA 0.732 5.282 4.550 -0.000 0.000 0.347 49 Y C 0.419 176.417 175.900 0.164 0.000 1.000 49 Y CA -0.869 57.130 58.100 -0.167 0.000 1.051 49 Y CB 2.932 41.354 38.460 -0.063 0.000 1.259 49 Y HN 0.442 nan 8.280 nan 0.000 0.468 50 T N 1.162 115.940 114.554 0.373 0.000 2.921 50 T HA 0.735 5.085 4.350 -0.000 0.000 0.297 50 T C -0.151 174.668 174.700 0.198 0.000 1.013 50 T CA -0.711 61.568 62.100 0.299 0.000 0.990 50 T CB 1.622 70.662 68.868 0.287 0.000 1.023 50 T HN 1.006 nan 8.240 nan 0.000 0.447 51 G N 1.528 110.421 108.800 0.156 0.000 2.846 51 G HA2 0.746 4.706 3.960 -0.000 0.000 0.299 51 G HA3 0.746 4.706 3.960 -0.000 0.000 0.299 51 G C -1.952 173.017 174.900 0.114 0.000 1.242 51 G CA -0.736 44.435 45.100 0.119 0.000 0.800 51 G HN 0.668 nan 8.290 nan 0.000 0.538 52 L N 0.052 121.340 121.223 0.109 0.000 2.365 52 L HA 0.528 4.868 4.340 -0.000 0.000 0.273 52 L C -1.619 175.352 176.870 0.170 0.000 1.000 52 L CA -0.919 53.989 54.840 0.113 0.000 0.819 52 L CB 2.437 44.534 42.059 0.063 0.000 1.284 52 L HN 0.569 nan 8.230 nan 0.000 0.418 53 Y N 3.622 123.945 120.300 0.039 0.000 2.363 53 Y HA 0.277 4.827 4.550 -0.000 0.000 0.325 53 Y C -0.028 175.892 175.900 0.034 0.000 0.984 53 Y CA -1.224 56.903 58.100 0.044 0.000 1.248 53 Y CB 0.793 39.281 38.460 0.046 0.000 1.116 53 Y HN 0.545 nan 8.280 nan 0.000 0.470 54 K N 4.628 124.793 120.400 -0.391 0.000 3.148 54 K HA -0.232 4.088 4.320 -0.000 0.000 0.267 54 K C 0.899 177.433 176.600 -0.110 0.000 0.996 54 K CA 0.935 57.045 56.287 -0.296 0.000 0.737 54 K CB -1.641 30.619 32.500 -0.400 0.000 1.308 54 K HN 1.312 nan 8.250 nan 0.000 0.470 55 G N -1.402 107.364 108.800 -0.056 0.000 2.168 55 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.263 55 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.263 55 G C 0.129 175.040 174.900 0.018 0.000 0.977 55 G CA 0.282 45.374 45.100 -0.013 0.000 0.659 55 G HN 0.298 nan 8.290 nan 0.000 0.533 56 V N 1.153 121.095 119.914 0.046 0.000 2.459 56 V HA 0.499 4.619 4.120 -0.000 0.000 0.295 56 V C -1.969 174.182 176.094 0.096 0.000 1.029 56 V CA -1.943 60.399 62.300 0.072 0.000 0.874 56 V CB 2.089 33.967 31.823 0.092 0.000 0.985 56 V HN 0.041 nan 8.190 nan 0.000 0.438 57 P HA 0.224 nan 4.420 nan 0.000 0.267 57 P C -0.938 176.418 177.300 0.092 0.000 1.205 57 P CA 0.259 63.407 63.100 0.080 0.000 0.765 57 P CB 0.635 32.369 31.700 0.058 0.000 0.828 58 V N 3.262 123.241 119.914 0.108 0.000 2.808 58 V HA 0.381 4.501 4.120 -0.000 0.000 0.308 58 V C -0.193 175.976 176.094 0.126 0.000 1.099 58 V CA -0.430 61.931 62.300 0.101 0.000 0.920 58 V CB 2.483 34.360 31.823 0.090 0.000 1.014 58 V HN 0.391 nan 8.190 nan 0.000 0.425 59 S N 2.162 117.942 115.700 0.134 0.000 2.621 59 S HA 0.817 5.287 4.470 -0.000 0.000 0.302 59 S C -0.741 173.970 174.600 0.184 0.000 1.093 59 S CA -0.669 57.660 58.200 0.215 0.000 1.017 59 S CB 2.086 65.439 63.200 0.255 0.000 1.077 59 S HN 0.502 nan 8.310 nan 0.000 0.517 60 V N 2.674 122.730 119.914 0.236 0.000 2.419 60 V HA 0.461 4.581 4.120 -0.000 0.000 0.287 60 V C -0.748 175.487 176.094 0.234 0.000 1.017 60 V CA -0.592 61.827 62.300 0.198 0.000 0.844 60 V CB 1.255 33.186 31.823 0.181 0.000 1.011 60 V HN 0.784 nan 8.190 nan 0.000 0.429 61 Q N 2.904 122.817 119.800 0.188 0.000 2.331 61 Q HA 0.521 4.861 4.340 -0.000 0.000 0.267 61 Q C -0.232 175.844 176.000 0.127 0.000 1.006 61 Q CA -0.127 55.777 55.803 0.169 0.000 0.818 61 Q CB 1.877 30.736 28.738 0.200 0.000 1.276 61 Q HN 0.752 nan 8.270 nan 0.000 0.450 62 T N 3.044 117.669 114.554 0.119 0.000 2.888 62 T HA 0.166 4.516 4.350 -0.000 0.000 0.301 62 T C 1.020 175.745 174.700 0.041 0.000 1.001 62 T CA 0.587 62.732 62.100 0.075 0.000 1.147 62 T CB 0.729 69.630 68.868 0.055 0.000 0.931 62 T HN 0.797 nan 8.240 nan 0.000 0.541 63 T N -0.131 114.432 114.554 0.014 0.000 3.015 63 T HA 0.483 4.833 4.350 -0.000 0.000 0.250 63 T C 1.139 175.821 174.700 -0.031 0.000 1.057 63 T CA 0.273 62.371 62.100 -0.003 0.000 1.066 63 T CB -0.197 68.666 68.868 -0.008 0.000 0.959 63 T HN 1.161 nan 8.240 nan 0.000 0.488 64 G N 1.660 110.432 108.800 -0.047 0.000 2.760 64 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.246 64 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.246 64 G C -0.614 174.245 174.900 -0.069 0.000 1.359 64 G CA -0.473 44.586 45.100 -0.070 0.000 0.861 64 G HN 0.574 nan 8.290 nan 0.000 0.541 65 M N 0.963 120.515 119.600 -0.079 0.000 2.264 65 M HA 0.577 5.057 4.480 -0.000 0.000 0.352 65 M C 0.710 176.972 176.300 -0.063 0.000 1.173 65 M CA 0.694 55.946 55.300 -0.080 0.000 1.075 65 M CB 1.340 33.874 32.600 -0.110 0.000 1.621 65 M HN 2.534 nan 8.290 nan 0.000 0.457 66 G N 1.064 109.833 108.800 -0.051 0.000 2.712 66 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 66 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 66 G C 0.289 175.166 174.900 -0.038 0.000 1.181 66 G CA -0.296 44.782 45.100 -0.038 0.000 0.762 66 G HN 0.892 nan 8.290 nan 0.000 0.641 67 T N -1.118 113.417 114.554 -0.031 0.000 2.833 67 T HA -0.005 4.345 4.350 -0.000 0.000 0.269 67 T C 0.128 174.822 174.700 -0.010 0.000 1.054 67 T CA 2.061 64.147 62.100 -0.023 0.000 1.135 67 T CB -0.671 68.188 68.868 -0.015 0.000 0.869 67 T HN 0.401 nan 8.240 nan 0.000 0.466 68 P HA -0.066 nan 4.420 nan 0.000 0.215 68 P C 2.097 179.367 177.300 -0.049 0.000 1.153 68 P CA 1.215 64.296 63.100 -0.032 0.000 0.853 68 P CB -0.240 31.435 31.700 -0.042 0.000 0.788 69 S N -1.118 114.549 115.700 -0.056 0.000 2.371 69 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 69 S C 1.971 176.536 174.600 -0.058 0.000 1.029 69 S CA 1.230 59.386 58.200 -0.073 0.000 0.978 69 S CB -1.019 62.141 63.200 -0.066 0.000 0.833 69 S HN 0.035 nan 8.310 nan 0.000 0.466 70 A N 1.234 124.031 122.820 -0.039 0.000 1.933 70 A HA 0.215 4.535 4.320 -0.000 0.000 0.218 70 A C 2.398 179.976 177.584 -0.010 0.000 1.175 70 A CA 1.761 53.782 52.037 -0.027 0.000 0.628 70 A CB -1.222 17.756 19.000 -0.036 0.000 0.814 70 A HN 0.702 nan 8.150 nan 0.000 0.444 71 A N -0.027 122.798 122.820 0.009 0.000 1.902 71 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 71 A C 2.117 179.725 177.584 0.039 0.000 1.181 71 A CA 1.467 53.539 52.037 0.059 0.000 0.623 71 A CB -0.567 18.533 19.000 0.167 0.000 0.818 71 A HN 0.489 nan 8.150 nan 0.000 0.443 72 I N -0.488 120.069 120.570 -0.023 0.000 2.179 72 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 72 I C 2.368 178.465 176.117 -0.033 0.000 1.088 72 I CA 1.270 62.521 61.300 -0.081 0.000 1.357 72 I CB -0.276 37.552 38.000 -0.286 0.000 1.051 72 I HN 0.164 nan 8.210 nan 0.000 0.409 73 V N 0.237 120.137 119.914 -0.024 0.000 2.343 73 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 73 V C 2.394 178.511 176.094 0.039 0.000 1.051 73 V CA 1.454 63.768 62.300 0.024 0.000 1.036 73 V CB -0.348 31.491 31.823 0.026 0.000 0.654 73 V HN 0.228 nan 8.190 nan 0.000 0.451 74 V N -0.289 119.640 119.914 0.026 0.000 2.295 74 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 74 V C 2.606 178.717 176.094 0.028 0.000 1.049 74 V CA 1.891 64.207 62.300 0.026 0.000 1.024 74 V CB -0.626 31.203 31.823 0.011 0.000 0.648 74 V HN 0.559 nan 8.190 nan 0.000 0.447 75 E N 0.177 120.396 120.200 0.031 0.000 2.070 75 E HA -0.269 4.080 4.350 -0.000 0.000 0.197 75 E C 2.187 178.814 176.600 0.045 0.000 1.004 75 E CA 1.776 58.200 56.400 0.039 0.000 0.805 75 E CB -0.237 29.504 29.700 0.068 0.000 0.744 75 E HN 0.725 nan 8.360 nan 0.000 0.451 76 E N 0.441 120.675 120.200 0.056 0.000 2.152 76 E HA -0.074 4.275 4.350 -0.000 0.000 0.192 76 E C 2.380 179.007 176.600 0.045 0.000 0.983 76 E CA 0.338 56.775 56.400 0.062 0.000 0.818 76 E CB -0.057 29.699 29.700 0.094 0.000 0.758 76 E HN 0.194 nan 8.360 nan 0.000 0.467 77 L N 0.626 121.877 121.223 0.046 0.000 2.056 77 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 77 L C 2.450 179.332 176.870 0.020 0.000 1.078 77 L CA 0.695 55.556 54.840 0.035 0.000 0.749 77 L CB -0.270 41.820 42.059 0.052 0.000 0.901 77 L HN 0.053 nan 8.230 nan 0.000 0.433 78 V N -0.496 119.432 119.914 0.022 0.000 2.407 78 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 78 V C 2.679 178.781 176.094 0.013 0.000 1.055 78 V CA 1.406 63.715 62.300 0.016 0.000 1.049 78 V CB -0.633 31.198 31.823 0.012 0.000 0.662 78 V HN 0.401 nan 8.190 nan 0.000 0.455 79 R N -0.108 120.403 120.500 0.018 0.000 2.152 79 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 79 R C 1.868 178.174 176.300 0.010 0.000 1.117 79 R CA 1.260 57.371 56.100 0.018 0.000 0.981 79 R CB -0.585 29.732 30.300 0.028 0.000 0.870 79 R HN 0.474 nan 8.270 nan 0.000 0.451 80 L N -1.076 120.148 121.223 0.001 0.000 2.591 80 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 80 L C 1.101 177.958 176.870 -0.022 0.000 1.133 80 L CA 0.648 55.477 54.840 -0.018 0.000 0.880 80 L CB 0.242 42.272 42.059 -0.049 0.000 1.033 80 L HN 0.404 nan 8.230 nan 0.000 0.450 81 G N -0.474 108.321 108.800 -0.009 0.000 2.168 81 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.197 81 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.197 81 G C 0.385 175.284 174.900 -0.002 0.000 0.997 81 G CA -0.206 44.890 45.100 -0.006 0.000 0.658 81 G HN 0.410 nan 8.290 nan 0.000 0.513 82 A N -0.058 122.762 122.820 0.001 0.000 2.498 82 A HA 0.685 5.005 4.320 -0.000 0.000 0.239 82 A C 1.202 178.797 177.584 0.017 0.000 1.068 82 A CA 1.453 53.498 52.037 0.013 0.000 0.766 82 A CB 0.371 19.385 19.000 0.023 0.000 1.003 82 A HN 0.672 nan 8.150 nan 0.000 0.497 83 R N 1.094 121.607 120.500 0.022 0.000 2.350 83 R HA 0.301 4.641 4.340 -0.000 0.000 0.199 83 R C -0.858 175.460 176.300 0.029 0.000 0.876 83 R CA 0.481 56.595 56.100 0.023 0.000 1.062 83 R CB 0.654 30.965 30.300 0.020 0.000 1.263 83 R HN 0.519 nan 8.270 nan 0.000 0.641 84 V N 2.840 122.774 119.914 0.034 0.000 2.443 84 V HA 0.417 4.537 4.120 -0.000 0.000 0.293 84 V C -1.343 174.779 176.094 0.046 0.000 1.021 84 V CA -0.770 61.554 62.300 0.040 0.000 0.848 84 V CB 1.635 33.480 31.823 0.036 0.000 0.998 84 V HN 0.060 nan 8.190 nan 0.000 0.424 85 L N 5.952 127.210 121.223 0.057 0.000 2.349 85 L HA 0.689 5.029 4.340 -0.000 0.000 0.278 85 L C -0.413 176.504 176.870 0.079 0.000 0.996 85 L CA -0.371 54.507 54.840 0.063 0.000 0.825 85 L CB 2.033 44.130 42.059 0.064 0.000 1.243 85 L HN 0.369 nan 8.230 nan 0.000 0.412 86 V N 3.095 123.048 119.914 0.065 0.000 2.407 86 V HA 0.472 4.592 4.120 -0.000 0.000 0.291 86 V C 0.158 176.285 176.094 0.055 0.000 1.018 86 V CA -0.740 61.603 62.300 0.072 0.000 0.842 86 V CB 1.672 33.523 31.823 0.047 0.000 0.996 86 V HN 0.747 nan 8.190 nan 0.000 0.426 87 R N 4.207 124.745 120.500 0.065 0.000 2.438 87 R HA 0.526 4.866 4.340 -0.000 0.000 0.287 87 R C -0.667 175.649 176.300 0.026 0.000 1.077 87 R CA -0.227 55.892 56.100 0.031 0.000 1.034 87 R CB 1.192 31.490 30.300 -0.002 0.000 0.993 87 R HN 0.613 nan 8.270 nan 0.000 0.459 88 V N 2.103 122.026 119.914 0.015 0.000 2.327 88 V HA 0.692 4.812 4.120 -0.000 0.000 0.272 88 V C 0.066 176.165 176.094 0.009 0.000 1.019 88 V CA -0.341 61.965 62.300 0.011 0.000 0.814 88 V CB 0.850 32.673 31.823 -0.000 0.000 1.040 88 V HN 0.892 nan 8.190 nan 0.000 0.440 89 G N 2.903 111.705 108.800 0.003 0.000 3.251 89 G HA2 0.859 4.819 3.960 -0.000 0.000 0.248 89 G HA3 0.859 4.819 3.960 -0.000 0.000 0.248 89 G C -0.320 174.577 174.900 -0.004 0.000 1.320 89 G CA -0.088 45.009 45.100 -0.005 0.000 0.982 89 G HN 0.924 nan 8.290 nan 0.000 0.575 90 T N -2.995 111.556 114.554 -0.006 0.000 2.932 90 T HA 0.819 5.169 4.350 -0.000 0.000 0.289 90 T C -0.303 174.408 174.700 0.019 0.000 1.039 90 T CA -0.107 61.995 62.100 0.003 0.000 1.024 90 T CB 1.892 70.757 68.868 -0.004 0.000 1.090 90 T HN 1.696 nan 8.240 nan 0.000 0.496 91 A N 0.172 123.011 122.820 0.031 0.000 2.594 91 A HA 0.894 5.214 4.320 -0.000 0.000 0.291 91 A C -0.133 177.490 177.584 0.064 0.000 1.105 91 A CA -0.705 51.362 52.037 0.051 0.000 0.694 91 A CB 1.324 20.344 19.000 0.033 0.000 1.291 91 A HN 1.389 nan 8.150 nan 0.000 0.410 92 G N 0.465 109.319 108.800 0.090 0.000 2.335 92 G HA2 0.660 4.620 3.960 -0.000 0.000 0.314 92 G HA3 0.660 4.620 3.960 -0.000 0.000 0.314 92 G C 0.255 175.218 174.900 0.105 0.000 1.129 92 G CA 0.326 45.467 45.100 0.069 0.000 0.912 92 G HN 1.614 nan 8.290 nan 0.000 0.443 93 A N 1.931 124.793 122.820 0.070 0.000 2.546 93 A HA 0.482 4.802 4.320 -0.000 0.000 0.243 93 A C 1.583 179.238 177.584 0.118 0.000 1.063 93 A CA 0.582 52.668 52.037 0.081 0.000 0.757 93 A CB 0.506 19.536 19.000 0.049 0.000 0.991 93 A HN 1.595 nan 8.150 nan 0.000 0.503 94 A N 2.242 125.164 122.820 0.171 0.000 2.178 94 A HA 0.420 4.740 4.320 -0.000 0.000 0.211 94 A C 1.162 178.833 177.584 0.146 0.000 1.157 94 A CA 1.073 53.253 52.037 0.237 0.000 0.780 94 A CB -0.356 18.850 19.000 0.344 0.000 0.828 94 A HN 1.694 nan 8.150 nan 0.000 0.476 95 S N -1.848 113.909 115.700 0.095 0.000 2.661 95 S HA 0.430 4.900 4.470 -0.000 0.000 0.285 95 S C 0.502 175.127 174.600 0.042 0.000 1.138 95 S CA 0.245 58.484 58.200 0.065 0.000 0.855 95 S CB 1.284 64.520 63.200 0.059 0.000 1.136 95 S HN 0.597 nan 8.310 nan 0.000 0.484 96 S N -0.691 115.027 115.700 0.030 0.000 2.603 96 S HA 0.006 4.476 4.470 -0.000 0.000 0.220 96 S C 0.908 175.519 174.600 0.018 0.000 0.967 96 S CA 0.809 59.021 58.200 0.021 0.000 0.920 96 S CB -0.474 62.735 63.200 0.015 0.000 0.773 96 S HN 0.750 nan 8.310 nan 0.000 0.529 97 D N 1.433 121.845 120.400 0.021 0.000 2.269 97 D HA 0.057 4.697 4.640 -0.000 0.000 0.208 97 D C 0.246 176.555 176.300 0.014 0.000 0.963 97 D CA 0.387 54.396 54.000 0.015 0.000 0.864 97 D CB -0.113 40.696 40.800 0.015 0.000 0.936 97 D HN 0.425 nan 8.370 nan 0.000 0.505 98 L N 0.892 122.127 121.223 0.019 0.000 2.275 98 L HA 0.522 4.861 4.340 -0.000 0.000 0.288 98 L C 0.147 177.026 176.870 0.016 0.000 1.046 98 L CA -0.875 53.975 54.840 0.018 0.000 0.805 98 L CB 1.684 43.757 42.059 0.024 0.000 1.193 98 L HN -0.115 nan 8.230 nan 0.000 0.426 99 A N 5.581 128.409 122.820 0.012 0.000 2.306 99 A HA 0.703 5.023 4.320 -0.000 0.000 0.314 99 A C -2.431 175.159 177.584 0.009 0.000 1.164 99 A CA -1.640 50.403 52.037 0.010 0.000 0.822 99 A CB 0.370 19.375 19.000 0.009 0.000 1.130 99 A HN 0.421 nan 8.150 nan 0.000 0.496 100 P HA 0.253 nan 4.420 nan 0.000 0.265 100 P C 1.040 178.339 177.300 -0.001 0.000 1.187 100 P CA 2.029 65.131 63.100 0.004 0.000 0.766 100 P CB 0.659 32.360 31.700 0.001 0.000 0.820 101 G N 1.303 110.100 108.800 -0.004 0.000 2.175 101 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 101 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 101 G C 0.200 175.097 174.900 -0.005 0.000 0.982 101 G CA 0.016 45.109 45.100 -0.012 0.000 0.641 101 G HN 0.625 nan 8.290 nan 0.000 0.527 102 E N 0.398 120.602 120.200 0.008 0.000 2.354 102 E HA 0.554 4.904 4.350 -0.000 0.000 0.269 102 E C 0.630 177.248 176.600 0.030 0.000 1.036 102 E CA -0.644 55.769 56.400 0.021 0.000 0.876 102 E CB 0.303 30.015 29.700 0.020 0.000 1.009 102 E HN 0.357 nan 8.360 nan 0.000 0.416 103 L N 5.098 126.354 121.223 0.056 0.000 2.334 103 L HA 0.432 4.772 4.340 -0.000 0.000 0.277 103 L C -0.130 176.783 176.870 0.072 0.000 1.075 103 L CA -0.582 54.299 54.840 0.068 0.000 0.804 103 L CB 0.896 43.016 42.059 0.101 0.000 1.174 103 L HN 0.529 nan 8.230 nan 0.000 0.438 104 I N 2.933 123.534 120.570 0.052 0.000 2.447 104 I HA 0.269 4.439 4.170 -0.000 0.000 0.287 104 I C -0.594 175.551 176.117 0.046 0.000 1.023 104 I CA -0.709 60.614 61.300 0.039 0.000 1.083 104 I CB 2.308 40.322 38.000 0.024 0.000 1.245 104 I HN 0.200 nan 8.210 nan 0.000 0.434 105 V N 6.186 126.119 119.914 0.031 0.000 2.334 105 V HA 0.312 4.432 4.120 -0.000 0.000 0.267 105 V C 0.780 176.962 176.094 0.146 0.000 1.040 105 V CA -0.589 61.747 62.300 0.059 0.000 0.866 105 V CB 1.114 32.899 31.823 -0.064 0.000 1.019 105 V HN 0.835 nan 8.190 nan 0.000 0.468 106 A N 4.181 127.115 122.820 0.189 0.000 2.505 106 A HA 0.102 4.422 4.320 -0.000 0.000 0.271 106 A C 1.250 178.936 177.584 0.169 0.000 1.112 106 A CA 0.143 52.300 52.037 0.199 0.000 0.781 106 A CB 0.039 19.209 19.000 0.284 0.000 1.059 106 A HN 0.950 nan 8.150 nan 0.000 0.508 107 Q N 2.622 122.427 119.800 0.007 0.000 2.311 107 Q HA 0.249 4.589 4.340 -0.000 0.000 0.203 107 Q C 0.705 176.480 176.000 -0.374 0.000 0.954 107 Q CA 1.101 56.662 55.803 -0.403 0.000 0.885 107 Q CB 0.111 28.677 28.738 -0.288 0.000 0.963 107 Q HN 0.961 nan 8.270 nan 0.000 0.471 108 G N -0.855 107.894 108.800 -0.085 0.000 2.506 108 G HA2 0.579 4.539 3.960 -0.000 0.000 0.292 108 G HA3 0.579 4.539 3.960 -0.000 0.000 0.292 108 G C -2.018 172.970 174.900 0.147 0.000 1.425 108 G CA -0.318 44.794 45.100 0.019 0.000 0.788 108 G HN 0.199 nan 8.290 nan 0.000 0.490 109 A N -0.186 122.718 122.820 0.140 0.000 2.414 109 A HA 0.672 4.992 4.320 -0.000 0.000 0.286 109 A C -0.362 177.174 177.584 -0.079 0.000 1.073 109 A CA -0.468 51.560 52.037 -0.014 0.000 0.727 109 A CB 1.519 20.461 19.000 -0.096 0.000 1.215 109 A HN 1.561 nan 8.150 nan 0.000 0.430 110 V N 4.801 124.605 119.914 -0.184 0.000 2.493 110 V HA 0.164 4.284 4.120 -0.000 0.000 0.292 110 V C -1.711 174.260 176.094 -0.205 0.000 1.016 110 V CA -0.232 61.933 62.300 -0.225 0.000 1.097 110 V CB 0.672 32.222 31.823 -0.455 0.000 0.947 110 V HN 0.755 nan 8.190 nan 0.000 0.479 111 P HA 0.245 nan 4.420 nan 0.000 0.241 111 P C 0.109 177.371 177.300 -0.063 0.000 1.780 111 P CA -0.056 63.012 63.100 -0.054 0.000 1.111 111 P CB 0.386 32.109 31.700 0.040 0.000 1.852 112 L N 1.913 123.067 121.223 -0.114 0.000 2.685 112 L HA 0.160 4.500 4.340 -0.000 0.000 0.233 112 L C 1.105 177.959 176.870 -0.026 0.000 1.173 112 L CA -0.025 54.771 54.840 -0.074 0.000 0.961 112 L CB -0.272 41.709 42.059 -0.129 0.000 1.217 112 L HN 0.302 nan 8.230 nan 0.000 0.478 113 D N -0.998 119.388 120.400 -0.023 0.000 2.326 113 D HA 0.175 4.815 4.640 -0.000 0.000 0.248 113 D C 0.876 177.178 176.300 0.005 0.000 1.001 113 D CA -0.424 53.572 54.000 -0.008 0.000 0.961 113 D CB 2.284 43.074 40.800 -0.016 0.000 1.183 113 D HN -0.046 nan 8.370 nan 0.000 0.502 114 G N -0.331 108.470 108.800 0.002 0.000 2.777 114 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.211 114 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.211 114 G C 1.222 176.117 174.900 -0.009 0.000 1.149 114 G CA 0.375 45.474 45.100 -0.003 0.000 0.785 114 G HN 0.541 nan 8.290 nan 0.000 0.536 115 T N 1.378 115.935 114.554 0.004 0.000 2.737 115 T HA -0.152 4.198 4.350 -0.000 0.000 0.265 115 T C 2.896 177.669 174.700 0.121 0.000 1.038 115 T CA 2.119 64.233 62.100 0.022 0.000 1.144 115 T CB -0.535 68.372 68.868 0.065 0.000 0.866 115 T HN 0.522 nan 8.240 nan 0.000 0.434 116 T N 0.965 115.590 114.554 0.119 0.000 2.821 116 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 116 T C 1.983 176.733 174.700 0.084 0.000 1.046 116 T CA 0.952 63.128 62.100 0.126 0.000 1.139 116 T CB -0.276 68.632 68.868 0.067 0.000 0.871 116 T HN 0.283 nan 8.240 nan 0.000 0.454 117 R N 0.909 121.438 120.500 0.048 0.000 2.091 117 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 117 R C 2.743 179.050 176.300 0.012 0.000 1.136 117 R CA 1.743 57.860 56.100 0.028 0.000 0.959 117 R CB -0.367 29.943 30.300 0.018 0.000 0.856 117 R HN 0.608 nan 8.270 nan 0.000 0.437 118 Q N -0.729 119.059 119.800 -0.020 0.000 2.079 118 Q HA -0.188 4.152 4.340 -0.000 0.000 0.200 118 Q C 1.661 177.624 176.000 -0.061 0.000 0.974 118 Q CA 1.577 57.334 55.803 -0.076 0.000 0.840 118 Q CB -0.088 28.552 28.738 -0.165 0.000 0.898 118 Q HN 0.514 nan 8.270 nan 0.000 0.430 119 Y N -0.175 120.093 120.300 -0.054 0.000 2.293 119 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 119 Y C 1.746 177.593 175.900 -0.088 0.000 1.137 119 Y CA 0.698 58.755 58.100 -0.070 0.000 1.202 119 Y CB 0.338 38.744 38.460 -0.089 0.000 0.990 119 Y HN 0.120 nan 8.280 nan 0.000 0.537 120 L N -0.344 120.921 121.223 0.069 0.000 2.592 120 L HA 0.030 4.370 4.340 -0.000 0.000 0.227 120 L C 0.221 177.096 176.870 0.008 0.000 1.127 120 L CA 0.390 55.224 54.840 -0.010 0.000 0.884 120 L CB -0.104 41.923 42.059 -0.054 0.000 1.065 120 L HN 0.169 nan 8.230 nan 0.000 0.457 121 E N -0.157 120.051 120.200 0.013 0.000 2.476 121 E HA -0.285 4.065 4.350 -0.000 0.000 0.251 121 E C 1.184 177.791 176.600 0.011 0.000 1.130 121 E CA 0.216 56.620 56.400 0.006 0.000 0.736 121 E CB -1.711 27.993 29.700 0.007 0.000 1.298 121 E HN 0.660 nan 8.360 nan 0.000 0.400 122 G N -0.474 108.335 108.800 0.016 0.000 2.234 122 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.260 122 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.260 122 G C 0.417 175.337 174.900 0.034 0.000 0.987 122 G CA 0.396 45.510 45.100 0.023 0.000 0.625 122 G HN 0.161 nan 8.290 nan 0.000 0.532 123 R N 1.026 121.547 120.500 0.036 0.000 2.738 123 R HA 0.426 4.766 4.340 -0.000 0.000 0.268 123 R C -2.091 174.259 176.300 0.083 0.000 1.062 123 R CA -1.563 54.569 56.100 0.052 0.000 1.158 123 R CB -0.765 29.564 30.300 0.049 0.000 1.046 123 R HN 0.220 nan 8.270 nan 0.000 0.493 124 P HA 0.190 nan 4.420 nan 0.000 0.272 124 P C -1.163 176.263 177.300 0.210 0.000 1.230 124 P CA 0.080 63.248 63.100 0.114 0.000 0.788 124 P CB 0.378 32.124 31.700 0.077 0.000 0.949 125 Y N -0.165 120.144 120.300 0.015 0.000 2.677 125 Y HA 0.536 5.086 4.550 -0.000 0.000 0.334 125 Y C -1.676 174.229 175.900 0.009 0.000 1.196 125 Y CA -1.065 57.042 58.100 0.012 0.000 1.059 125 Y CB 1.159 39.629 38.460 0.016 0.000 1.315 125 Y HN 0.409 nan 8.280 nan 0.000 0.455 126 A N 4.790 127.158 122.820 -0.752 0.000 2.586 126 A HA 0.640 4.960 4.320 -0.000 0.000 0.320 126 A C -3.027 174.202 177.584 -0.590 0.000 1.281 126 A CA -1.700 50.050 52.037 -0.477 0.000 0.775 126 A CB 0.017 18.805 19.000 -0.354 0.000 1.122 126 A HN 0.370 nan 8.150 nan 0.000 0.470 127 P HA 0.287 nan 4.420 nan 0.000 0.265 127 P C -0.235 177.140 177.300 0.125 0.000 1.222 127 P CA 0.251 63.446 63.100 0.158 0.000 0.767 127 P CB 0.888 32.772 31.700 0.307 0.000 0.801 128 V N 2.045 121.917 119.914 -0.070 0.000 3.007 128 V HA 0.770 4.890 4.120 -0.000 0.000 0.311 128 V C -2.591 172.959 176.094 -0.906 0.000 1.120 128 V CA -2.986 59.038 62.300 -0.460 0.000 0.980 128 V CB 2.311 33.910 31.823 -0.374 0.000 1.033 128 V HN 0.251 nan 8.190 nan 0.000 0.429 129 P HA 0.183 nan 4.420 nan 0.000 0.277 129 P C -0.801 176.260 177.300 -0.398 0.000 1.276 129 P CA 0.076 62.547 63.100 -1.048 0.000 0.788 129 P CB 0.604 31.840 31.700 -0.773 0.000 1.114 130 D N 0.122 120.416 120.400 -0.177 0.000 2.389 130 D HA 0.048 4.688 4.640 -0.000 0.000 0.247 130 D C -1.137 175.156 176.300 -0.011 0.000 1.128 130 D CA -1.747 52.215 54.000 -0.063 0.000 0.884 130 D CB 0.417 41.215 40.800 -0.003 0.000 1.194 130 D HN 0.126 nan 8.370 nan 0.000 0.441 131 P HA -0.189 nan 4.420 nan 0.000 0.216 131 P C 0.746 178.134 177.300 0.147 0.000 1.150 131 P CA 1.128 64.281 63.100 0.089 0.000 0.837 131 P CB 0.268 31.997 31.700 0.047 0.000 0.786 132 E N -0.185 120.063 120.200 0.080 0.000 2.072 132 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 132 E C 2.264 178.905 176.600 0.069 0.000 0.985 132 E CA 0.770 57.208 56.400 0.063 0.000 0.801 132 E CB -0.939 28.782 29.700 0.035 0.000 0.750 132 E HN 0.136 nan 8.360 nan 0.000 0.452 133 V N 1.446 121.407 119.914 0.078 0.000 2.307 133 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 133 V C 2.178 178.342 176.094 0.117 0.000 1.045 133 V CA 1.660 64.007 62.300 0.078 0.000 1.024 133 V CB -0.633 31.234 31.823 0.074 0.000 0.651 133 V HN 0.147 nan 8.190 nan 0.000 0.449 134 F N 1.496 121.448 119.950 0.003 0.000 2.091 134 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 134 F C 2.587 178.463 175.800 0.126 0.000 1.103 134 F CA 2.339 60.358 58.000 0.032 0.000 1.228 134 F CB -0.419 38.573 39.000 -0.014 0.000 0.984 134 F HN -0.047 nan 8.300 nan 0.000 0.477 135 R N 0.268 120.755 120.500 -0.023 0.000 2.073 135 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 135 R C 2.417 178.663 176.300 -0.091 0.000 1.134 135 R CA 1.315 57.350 56.100 -0.108 0.000 0.952 135 R CB -0.719 29.579 30.300 -0.004 0.000 0.850 135 R HN 0.393 nan 8.270 nan 0.000 0.433 136 A N 1.085 123.883 122.820 -0.038 0.000 1.908 136 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 136 A C 2.198 179.763 177.584 -0.032 0.000 1.181 136 A CA 1.247 53.265 52.037 -0.032 0.000 0.627 136 A CB -0.557 18.439 19.000 -0.006 0.000 0.818 136 A HN 0.344 nan 8.150 nan 0.000 0.445 137 L N -2.193 119.014 121.223 -0.027 0.000 2.046 137 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 137 L C 2.617 179.473 176.870 -0.023 0.000 1.077 137 L CA 1.444 56.271 54.840 -0.023 0.000 0.747 137 L CB -0.481 41.577 42.059 -0.002 0.000 0.896 137 L HN 0.737 nan 8.230 nan 0.000 0.432 138 W N 1.439 122.552 121.300 -0.311 0.000 2.355 138 W HA -0.160 4.499 4.660 -0.000 0.000 0.309 138 W C 2.704 179.070 176.519 -0.255 0.000 1.206 138 W CA 1.381 58.530 57.345 -0.326 0.000 1.284 138 W CB -0.500 28.688 29.460 -0.452 0.000 1.145 138 W HN 0.027 nan 8.180 nan 0.000 0.502 139 R N -0.375 120.099 120.500 -0.044 0.000 2.083 139 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 139 R C 2.317 178.562 176.300 -0.092 0.000 1.137 139 R CA 1.647 57.671 56.100 -0.127 0.000 0.951 139 R CB -0.400 29.823 30.300 -0.128 0.000 0.851 139 R HN -0.081 nan 8.270 nan 0.000 0.434 140 R N 0.250 120.706 120.500 -0.075 0.000 2.081 140 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 140 R C 2.158 178.381 176.300 -0.127 0.000 1.131 140 R CA 1.478 57.529 56.100 -0.082 0.000 0.960 140 R CB -0.927 29.344 30.300 -0.049 0.000 0.856 140 R HN 0.265 nan 8.270 nan 0.000 0.436 141 A N 1.320 124.047 122.820 -0.155 0.000 1.940 141 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 141 A C 2.080 179.510 177.584 -0.256 0.000 1.176 141 A CA 1.616 53.496 52.037 -0.261 0.000 0.631 141 A CB -0.343 18.320 19.000 -0.561 0.000 0.814 141 A HN 0.396 nan 8.150 nan 0.000 0.446 142 E N -0.404 119.693 120.200 -0.172 0.000 2.047 142 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 142 E C 2.419 178.988 176.600 -0.051 0.000 0.987 142 E CA 0.876 57.271 56.400 -0.009 0.000 0.799 142 E CB -0.307 29.407 29.700 0.024 0.000 0.752 142 E HN 0.603 nan 8.360 nan 0.000 0.449 143 A N 1.418 124.182 122.820 -0.093 0.000 1.883 143 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 143 A C 2.175 179.667 177.584 -0.154 0.000 1.186 143 A CA 1.225 53.203 52.037 -0.099 0.000 0.624 143 A CB -0.799 18.148 19.000 -0.090 0.000 0.822 143 A HN 0.159 nan 8.150 nan 0.000 0.444 144 L N -1.014 120.048 121.223 -0.269 0.000 2.456 144 L HA 0.025 4.365 4.340 -0.000 0.000 0.224 144 L C 1.788 178.338 176.870 -0.535 0.000 1.148 144 L CA 0.596 55.127 54.840 -0.515 0.000 0.825 144 L CB -0.592 40.913 42.059 -0.923 0.000 0.937 144 L HN 0.662 nan 8.230 nan 0.000 0.450 145 G N -1.007 107.646 108.800 -0.245 0.000 2.143 145 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 145 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 145 G C 0.091 175.074 174.900 0.139 0.000 0.991 145 G CA -0.291 44.786 45.100 -0.038 0.000 0.689 145 G HN 0.423 nan 8.290 nan 0.000 0.522 146 Y N 1.430 121.791 120.300 0.101 0.000 2.336 146 Y HA 0.365 4.915 4.550 -0.000 0.000 0.335 146 Y C -1.191 174.861 175.900 0.252 0.000 1.046 146 Y CA -2.228 55.947 58.100 0.125 0.000 1.198 146 Y CB 1.007 39.517 38.460 0.083 0.000 1.182 146 Y HN 0.057 nan 8.280 nan 0.000 0.502 147 P HA -0.003 nan 4.420 nan 0.000 0.269 147 P C -0.963 176.533 177.300 0.327 0.000 1.215 147 P CA 0.663 63.920 63.100 0.260 0.000 0.780 147 P CB 0.898 32.672 31.700 0.124 0.000 0.898 148 H N -0.783 118.328 119.070 0.068 0.000 2.987 148 H HA 0.484 5.040 4.556 -0.000 0.000 0.316 148 H C -0.941 174.380 175.328 -0.012 0.000 1.380 148 H CA -0.963 55.105 56.048 0.033 0.000 1.160 148 H CB 0.726 30.512 29.762 0.041 0.000 1.865 148 H HN 0.272 nan 8.280 nan 0.000 0.521 149 R N 0.699 121.200 120.500 0.002 0.000 2.740 149 R HA 0.623 4.963 4.340 -0.000 0.000 0.282 149 R C -0.896 175.347 176.300 -0.094 0.000 0.969 149 R CA -1.169 54.883 56.100 -0.080 0.000 0.918 149 R CB 2.681 32.956 30.300 -0.043 0.000 1.175 149 R HN 0.414 nan 8.270 nan 0.000 0.464 150 V N 1.291 121.091 119.914 -0.191 0.000 2.443 150 V HA 0.805 4.925 4.120 -0.000 0.000 0.293 150 V C 0.360 176.369 176.094 -0.142 0.000 1.021 150 V CA -0.381 61.758 62.300 -0.269 0.000 0.848 150 V CB 1.456 32.825 31.823 -0.756 0.000 0.998 150 V HN 1.021 nan 8.190 nan 0.000 0.424 151 G N 3.623 112.389 108.800 -0.056 0.000 2.348 151 G HA2 0.455 4.415 3.960 -0.000 0.000 0.296 151 G HA3 0.455 4.415 3.960 -0.000 0.000 0.296 151 G C -1.563 173.319 174.900 -0.029 0.000 1.258 151 G CA -0.947 44.128 45.100 -0.042 0.000 0.868 151 G HN 0.525 nan 8.290 nan 0.000 0.488 152 L N 0.354 121.554 121.223 -0.037 0.000 2.418 152 L HA 0.655 4.995 4.340 -0.000 0.000 0.265 152 L C 0.751 177.571 176.870 -0.083 0.000 1.143 152 L CA -0.728 54.081 54.840 -0.052 0.000 0.809 152 L CB 1.279 43.307 42.059 -0.052 0.000 1.124 152 L HN 0.658 nan 8.230 nan 0.000 0.456 153 V N -0.936 118.904 119.914 -0.124 0.000 3.158 153 V HA 0.978 5.098 4.120 -0.000 0.000 0.311 153 V C -0.671 175.214 176.094 -0.348 0.000 1.181 153 V CA -0.824 61.348 62.300 -0.213 0.000 1.054 153 V CB 1.804 33.543 31.823 -0.140 0.000 1.085 153 V HN 0.817 nan 8.190 nan 0.000 0.446 154 A N 0.736 123.223 122.820 -0.556 0.000 2.356 154 A HA 0.837 5.157 4.320 -0.000 0.000 0.310 154 A C -0.230 177.095 177.584 -0.431 0.000 1.075 154 A CA -0.495 51.142 52.037 -0.666 0.000 0.746 154 A CB 1.584 19.819 19.000 -1.275 0.000 1.221 154 A HN 1.035 nan 8.150 nan 0.000 0.443 155 S N 1.968 117.495 115.700 -0.289 0.000 2.422 155 S HA 0.443 4.913 4.470 -0.000 0.000 0.308 155 S C -0.072 174.465 174.600 -0.105 0.000 1.097 155 S CA -0.561 57.541 58.200 -0.164 0.000 1.099 155 S CB 0.540 63.647 63.200 -0.155 0.000 0.976 155 S HN 0.786 nan 8.310 nan 0.000 0.471 156 E N 2.083 122.271 120.200 -0.019 0.000 2.264 156 E HA 0.511 4.861 4.350 -0.000 0.000 0.260 156 E C -0.775 175.838 176.600 0.022 0.000 0.961 156 E CA -0.865 55.549 56.400 0.022 0.000 0.834 156 E CB 0.931 30.693 29.700 0.104 0.000 1.230 156 E HN 0.200 nan 8.360 nan 0.000 0.412 157 D N 0.125 120.540 120.400 0.025 0.000 2.525 157 D HA 0.145 4.785 4.640 -0.000 0.000 0.248 157 D C 0.032 176.360 176.300 0.047 0.000 1.000 157 D CA 0.570 54.586 54.000 0.026 0.000 0.923 157 D CB 0.423 41.233 40.800 0.018 0.000 1.101 157 D HN 0.504 nan 8.370 nan 0.000 0.493 158 A N 0.775 123.622 122.820 0.046 0.000 2.621 158 A HA 0.230 4.550 4.320 -0.000 0.000 0.329 158 A C 0.594 178.202 177.584 0.040 0.000 1.458 158 A CA -0.512 51.562 52.037 0.062 0.000 1.052 158 A CB -0.714 18.317 19.000 0.052 0.000 1.142 158 A HN 0.084 nan 8.150 nan 0.000 0.523 159 F N 2.298 122.176 119.950 -0.118 0.000 2.087 159 F HA -0.259 4.268 4.527 -0.000 0.000 0.299 159 F C 1.189 176.789 175.800 -0.333 0.000 1.100 159 F CA 2.201 60.036 58.000 -0.275 0.000 1.226 159 F CB -0.123 38.619 39.000 -0.430 0.000 0.983 159 F HN 0.672 nan 8.300 nan 0.000 0.479 160 Y N -0.775 119.578 120.300 0.088 0.000 2.462 160 Y HA 0.305 4.855 4.550 -0.000 0.000 0.293 160 Y C 1.822 177.683 175.900 -0.065 0.000 1.195 160 Y CA 0.017 58.108 58.100 -0.014 0.000 1.276 160 Y CB -0.309 38.210 38.460 0.100 0.000 1.082 160 Y HN 0.167 nan 8.280 nan 0.000 0.514 161 A N -0.823 122.010 122.820 0.022 0.000 1.973 161 A HA 0.051 4.371 4.320 -0.000 0.000 0.210 161 A C 1.259 178.804 177.584 -0.065 0.000 1.200 161 A CA 0.240 52.279 52.037 0.003 0.000 0.707 161 A CB -0.497 18.514 19.000 0.018 0.000 0.862 161 A HN 0.131 nan 8.150 nan 0.000 0.461 162 T N 2.564 117.023 114.554 -0.158 0.000 2.871 162 T HA 0.340 4.690 4.350 -0.000 0.000 0.296 162 T C 0.555 175.121 174.700 -0.224 0.000 0.998 162 T CA 0.883 62.839 62.100 -0.239 0.000 1.162 162 T CB 0.150 68.725 68.868 -0.488 0.000 0.947 162 T HN 0.620 nan 8.240 nan 0.000 0.536 163 T N 1.599 116.063 114.554 -0.150 0.000 2.948 163 T HA 0.438 4.788 4.350 -0.000 0.000 0.285 163 T C -2.015 172.616 174.700 -0.114 0.000 1.019 163 T CA -2.266 59.768 62.100 -0.110 0.000 1.013 163 T CB 1.493 70.329 68.868 -0.053 0.000 1.117 163 T HN 0.086 nan 8.240 nan 0.000 0.533 164 P HA -0.029 nan 4.420 nan 0.000 0.217 164 P C 1.357 178.647 177.300 -0.017 0.000 1.150 164 P CA 1.035 64.102 63.100 -0.055 0.000 0.832 164 P CB 0.101 31.778 31.700 -0.038 0.000 0.787 165 E N -0.053 120.141 120.200 -0.011 0.000 2.051 165 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 165 E C 1.955 178.572 176.600 0.028 0.000 0.991 165 E CA 1.112 57.516 56.400 0.006 0.000 0.799 165 E CB -0.455 29.243 29.700 -0.003 0.000 0.748 165 E HN 0.445 nan 8.360 nan 0.000 0.449 166 E N 0.851 121.070 120.200 0.031 0.000 2.077 166 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 166 E C 2.144 178.887 176.600 0.238 0.000 0.989 166 E CA 0.885 57.345 56.400 0.100 0.000 0.800 166 E CB -0.168 29.598 29.700 0.110 0.000 0.746 166 E HN 0.229 nan 8.360 nan 0.000 0.452 167 A N 2.318 125.212 122.820 0.123 0.000 1.908 167 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 167 A C 2.192 179.947 177.584 0.286 0.000 1.181 167 A CA 1.892 54.052 52.037 0.205 0.000 0.627 167 A CB -0.629 18.359 19.000 -0.019 0.000 0.818 167 A HN 0.280 nan 8.150 nan 0.000 0.445 168 R N -0.679 119.913 120.500 0.154 0.000 2.189 168 R HA 0.221 4.561 4.340 -0.000 0.000 0.218 168 R C 2.023 178.403 176.300 0.133 0.000 1.074 168 R CA 1.199 57.376 56.100 0.127 0.000 0.991 168 R CB -0.476 29.863 30.300 0.065 0.000 0.883 168 R HN 0.310 nan 8.270 nan 0.000 0.457 169 A N 1.298 124.192 122.820 0.123 0.000 1.872 169 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 169 A C 1.750 179.432 177.584 0.163 0.000 1.187 169 A CA 0.861 52.938 52.037 0.066 0.000 0.614 169 A CB -0.978 17.981 19.000 -0.068 0.000 0.826 169 A HN 0.539 nan 8.150 nan 0.000 0.442 170 W N -0.156 121.286 121.300 0.237 0.000 2.363 170 W HA -0.053 4.607 4.660 -0.000 0.000 0.296 170 W C 2.672 179.318 176.519 0.210 0.000 1.212 170 W CA 1.225 58.714 57.345 0.240 0.000 1.260 170 W CB -0.048 29.550 29.460 0.229 0.000 1.131 170 W HN 0.395 nan 8.180 nan 0.000 0.530 171 A N 0.376 123.425 122.820 0.382 0.000 2.076 171 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 171 A C 1.891 179.562 177.584 0.145 0.000 1.160 171 A CA 1.348 53.521 52.037 0.225 0.000 0.653 171 A CB -0.585 18.515 19.000 0.168 0.000 0.801 171 A HN 0.328 nan 8.150 nan 0.000 0.455 172 R N -2.173 118.399 120.500 0.119 0.000 2.235 172 R HA -0.047 4.293 4.340 -0.000 0.000 0.213 172 R C 0.457 176.641 176.300 -0.194 0.000 1.059 172 R CA 1.018 57.077 56.100 -0.069 0.000 0.997 172 R CB -0.179 30.022 30.300 -0.165 0.000 0.884 172 R HN 0.708 nan 8.270 nan 0.000 0.462 173 Y N -0.845 119.495 120.300 0.067 0.000 2.524 173 Y HA 0.236 4.786 4.550 -0.000 0.000 0.266 173 Y C 1.380 177.336 175.900 0.092 0.000 1.180 173 Y CA 0.287 58.434 58.100 0.078 0.000 1.244 173 Y CB 1.131 39.657 38.460 0.109 0.000 1.125 173 Y HN 0.213 nan 8.280 nan 0.000 0.524 174 G N -0.393 108.505 108.800 0.164 0.000 2.176 174 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.232 174 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.232 174 G C -0.148 174.800 174.900 0.080 0.000 0.986 174 G CA -0.041 45.119 45.100 0.100 0.000 0.643 174 G HN 0.064 nan 8.290 nan 0.000 0.522 175 V N 2.228 122.216 119.914 0.123 0.000 2.446 175 V HA 0.301 4.421 4.120 -0.000 0.000 0.276 175 V C 1.881 177.982 176.094 0.012 0.000 1.030 175 V CA 0.427 62.730 62.300 0.006 0.000 1.033 175 V CB 1.138 32.934 31.823 -0.046 0.000 0.993 175 V HN 0.330 nan 8.190 nan 0.000 0.477 176 L N 4.306 125.511 121.223 -0.030 0.000 2.162 176 L HA 0.362 4.702 4.340 -0.000 0.000 0.205 176 L C 0.984 177.866 176.870 0.020 0.000 1.086 176 L CA 1.244 56.086 54.840 0.003 0.000 0.778 176 L CB -0.047 42.006 42.059 -0.009 0.000 0.928 176 L HN 0.790 nan 8.230 nan 0.000 0.446 177 A N -1.667 121.129 122.820 -0.040 0.000 2.586 177 A HA 0.624 4.944 4.320 -0.000 0.000 0.290 177 A C -1.860 175.662 177.584 -0.103 0.000 1.086 177 A CA -0.558 51.503 52.037 0.041 0.000 0.665 177 A CB 0.652 19.683 19.000 0.052 0.000 1.279 177 A HN -0.101 nan 8.150 nan 0.000 0.423 178 F N 0.640 120.544 119.950 -0.075 0.000 2.450 178 F HA 0.653 5.180 4.527 -0.000 0.000 0.332 178 F C 0.628 176.383 175.800 -0.075 0.000 1.093 178 F CA -0.005 57.930 58.000 -0.108 0.000 1.003 178 F CB 2.176 41.094 39.000 -0.136 0.000 1.151 178 F HN 0.821 nan 8.300 nan 0.000 0.474 179 E N 0.537 120.769 120.200 0.054 0.000 2.421 179 E HA 0.619 4.969 4.350 -0.000 0.000 0.265 179 E C -1.094 175.512 176.600 0.011 0.000 0.990 179 E CA -0.802 55.616 56.400 0.030 0.000 0.874 179 E CB 1.521 31.205 29.700 -0.027 0.000 1.646 179 E HN 0.489 nan 8.360 nan 0.000 0.451 180 M N -0.121 119.473 119.600 -0.012 0.000 2.747 180 M HA 0.365 4.845 4.480 -0.000 0.000 0.402 180 M C -0.612 175.652 176.300 -0.059 0.000 1.238 180 M CA 0.185 55.472 55.300 -0.021 0.000 0.877 180 M CB 0.644 33.250 32.600 0.010 0.000 1.424 180 M HN 0.579 nan 8.290 nan 0.000 0.511 181 E N -0.465 119.674 120.200 -0.101 0.000 2.624 181 E HA 0.285 4.635 4.350 -0.000 0.000 0.192 181 E C 1.656 178.128 176.600 -0.213 0.000 0.961 181 E CA 0.557 56.884 56.400 -0.122 0.000 1.632 181 E CB 0.061 29.703 29.700 -0.095 0.000 2.082 181 E HN 0.313 nan 8.360 nan 0.000 1.040 182 A N 1.372 124.003 122.820 -0.315 0.000 1.892 182 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 182 A C 2.269 179.404 177.584 -0.748 0.000 1.188 182 A CA 2.651 54.297 52.037 -0.651 0.000 0.631 182 A CB -1.096 17.497 19.000 -0.679 0.000 0.822 182 A HN 0.325 nan 8.150 nan 0.000 0.447 183 S N 0.381 115.847 115.700 -0.391 0.000 2.365 183 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 183 S C 2.121 176.669 174.600 -0.087 0.000 1.039 183 S CA 1.937 60.029 58.200 -0.180 0.000 1.033 183 S CB -0.951 62.198 63.200 -0.085 0.000 0.887 183 S HN 1.129 nan 8.310 nan 0.000 0.447 184 A N 1.651 124.415 122.820 -0.093 0.000 1.930 184 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 184 A C 2.273 179.822 177.584 -0.058 0.000 1.175 184 A CA 1.487 53.499 52.037 -0.041 0.000 0.627 184 A CB -0.877 18.121 19.000 -0.004 0.000 0.815 184 A HN 0.580 nan 8.150 nan 0.000 0.443 185 L N -0.788 120.372 121.223 -0.106 0.000 2.017 185 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 185 L C 2.296 179.247 176.870 0.135 0.000 1.073 185 L CA 1.944 56.762 54.840 -0.037 0.000 0.745 185 L CB -0.738 41.258 42.059 -0.104 0.000 0.894 185 L HN 0.470 nan 8.230 nan 0.000 0.432 186 F N -1.370 118.581 119.950 0.002 0.000 2.126 186 F HA -0.268 4.259 4.527 -0.000 0.000 0.299 186 F C 2.375 178.202 175.800 0.045 0.000 1.096 186 F CA 0.729 58.742 58.000 0.022 0.000 1.255 186 F CB -0.355 38.658 39.000 0.023 0.000 0.997 186 F HN 0.259 nan 8.300 nan 0.000 0.479 187 L N 0.738 122.099 121.223 0.231 0.000 2.017 187 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 187 L C 2.011 178.839 176.870 -0.071 0.000 1.073 187 L CA 1.683 56.566 54.840 0.071 0.000 0.745 187 L CB -0.807 41.195 42.059 -0.096 0.000 0.894 187 L HN 0.081 nan 8.230 nan 0.000 0.432 188 L N -0.659 120.496 121.223 -0.113 0.000 2.141 188 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 188 L C 2.516 179.355 176.870 -0.052 0.000 1.094 188 L CA 0.955 55.699 54.840 -0.160 0.000 0.763 188 L CB -1.319 40.642 42.059 -0.164 0.000 0.908 188 L HN 0.485 nan 8.230 nan 0.000 0.437 189 G N -0.088 108.728 108.800 0.027 0.000 2.476 189 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 189 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 189 G C 1.752 176.667 174.900 0.025 0.000 1.164 189 G CA 0.442 45.571 45.100 0.049 0.000 0.768 189 G HN 0.158 nan 8.290 nan 0.000 0.560 190 R N -0.240 120.282 120.500 0.036 0.000 2.073 190 R HA 0.202 4.542 4.340 -0.000 0.000 0.229 190 R C 2.731 179.028 176.300 -0.005 0.000 1.120 190 R CA 0.771 56.891 56.100 0.032 0.000 0.967 190 R CB -0.867 29.488 30.300 0.092 0.000 0.862 190 R HN 0.422 nan 8.270 nan 0.000 0.436 191 M N 0.415 119.985 119.600 -0.051 0.000 2.117 191 M HA -0.128 4.351 4.480 -0.000 0.000 0.262 191 M C 1.426 177.692 176.300 -0.056 0.000 1.065 191 M CA 1.621 56.872 55.300 -0.082 0.000 1.114 191 M CB -0.047 32.449 32.600 -0.175 0.000 1.361 191 M HN -0.123 nan 8.290 nan 0.000 0.408 192 R N -0.048 120.421 120.500 -0.052 0.000 2.359 192 R HA 0.240 4.580 4.340 -0.000 0.000 0.231 192 R C 0.969 177.262 176.300 -0.010 0.000 0.913 192 R CA 0.547 56.629 56.100 -0.029 0.000 1.075 192 R CB -0.636 29.645 30.300 -0.031 0.000 1.087 192 R HN 0.581 nan 8.270 nan 0.000 0.515 193 G N 1.370 110.167 108.800 -0.006 0.000 2.198 193 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 193 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 193 G C 0.339 175.244 174.900 0.009 0.000 1.025 193 G CA 0.643 45.745 45.100 0.003 0.000 0.769 193 G HN 0.289 nan 8.290 nan 0.000 0.507 194 V N -3.752 116.169 119.914 0.012 0.000 2.975 194 V HA 0.844 4.964 4.120 -0.000 0.000 0.318 194 V C 0.550 176.660 176.094 0.028 0.000 1.077 194 V CA -1.777 60.535 62.300 0.020 0.000 1.000 194 V CB 1.471 33.307 31.823 0.022 0.000 1.066 194 V HN 0.287 nan 8.190 nan 0.000 0.452 195 R N 1.682 122.201 120.500 0.032 0.000 2.221 195 R HA 0.605 4.945 4.340 -0.000 0.000 0.327 195 R C -0.032 176.302 176.300 0.056 0.000 1.033 195 R CA -0.017 56.104 56.100 0.036 0.000 0.887 195 R CB 1.361 31.681 30.300 0.032 0.000 1.057 195 R HN 1.059 nan 8.270 nan 0.000 0.455 196 T N -0.941 113.653 114.554 0.068 0.000 2.930 196 T HA 0.858 5.208 4.350 -0.000 0.000 0.290 196 T C 0.111 174.892 174.700 0.134 0.000 1.052 196 T CA -0.884 61.294 62.100 0.130 0.000 1.017 196 T CB 2.447 71.448 68.868 0.222 0.000 1.137 196 T HN 0.630 nan 8.240 nan 0.000 0.511 197 G N -0.779 108.166 108.800 0.242 0.000 2.623 197 G HA2 0.787 4.747 3.960 -0.000 0.000 0.290 197 G HA3 0.787 4.747 3.960 -0.000 0.000 0.290 197 G C -1.793 173.331 174.900 0.373 0.000 1.437 197 G CA -0.538 44.726 45.100 0.274 0.000 0.798 197 G HN 1.322 nan 8.290 nan 0.000 0.488 198 A N -0.116 122.924 122.820 0.367 0.000 2.488 198 A HA 0.750 5.070 4.320 -0.000 0.000 0.295 198 A C -1.438 176.249 177.584 0.171 0.000 1.045 198 A CA -0.416 51.763 52.037 0.236 0.000 0.703 198 A CB 1.332 20.442 19.000 0.185 0.000 1.271 198 A HN 1.440 nan 8.150 nan 0.000 0.400 199 I N 2.623 123.250 120.570 0.095 0.000 2.608 199 I HA 0.765 4.935 4.170 -0.000 0.000 0.295 199 I C -1.579 174.563 176.117 0.042 0.000 1.049 199 I CA -1.193 60.148 61.300 0.068 0.000 1.063 199 I CB 1.563 39.593 38.000 0.049 0.000 1.248 199 I HN 0.672 nan 8.210 nan 0.000 0.424 200 L N 6.592 127.837 121.223 0.037 0.000 2.350 200 L HA 0.828 5.168 4.340 -0.000 0.000 0.260 200 L C -0.675 176.208 176.870 0.021 0.000 1.015 200 L CA -0.798 54.055 54.840 0.022 0.000 0.821 200 L CB 1.962 44.031 42.059 0.016 0.000 1.370 200 L HN 0.625 nan 8.230 nan 0.000 0.416 201 A N 1.238 124.066 122.820 0.012 0.000 2.318 201 A HA 0.683 5.003 4.320 -0.000 0.000 0.317 201 A C -0.617 176.973 177.584 0.008 0.000 1.159 201 A CA -0.543 51.498 52.037 0.007 0.000 0.799 201 A CB 1.251 20.247 19.000 -0.006 0.000 1.194 201 A HN 0.370 nan 8.150 nan 0.000 0.479 202 V N 3.362 123.284 119.914 0.012 0.000 2.450 202 V HA 0.125 4.245 4.120 -0.000 0.000 0.281 202 V C 1.353 177.453 176.094 0.011 0.000 1.019 202 V CA 1.175 63.486 62.300 0.017 0.000 1.062 202 V CB 0.674 32.509 31.823 0.020 0.000 0.979 202 V HN 1.099 nan 8.190 nan 0.000 0.477 203 S N 2.935 118.645 115.700 0.016 0.000 2.539 203 S HA 0.241 4.711 4.470 -0.000 0.000 0.221 203 S C 0.309 174.920 174.600 0.019 0.000 0.987 203 S CA 0.096 58.302 58.200 0.011 0.000 0.929 203 S CB -0.236 62.970 63.200 0.009 0.000 0.832 203 S HN 1.020 nan 8.310 nan 0.000 0.492 204 N N -0.492 118.222 118.700 0.023 0.000 3.439 204 N HA 0.386 5.126 4.740 -0.000 0.000 0.285 204 N C -1.834 173.685 175.510 0.014 0.000 1.386 204 N CA -1.000 52.062 53.050 0.020 0.000 0.824 204 N CB 0.404 38.909 38.487 0.031 0.000 1.632 204 N HN -0.008 nan 8.380 nan 0.000 0.421 205 R N -0.243 120.258 120.500 0.002 0.000 2.637 205 R HA 0.540 4.879 4.340 -0.000 0.000 0.291 205 R C -0.560 175.712 176.300 -0.047 0.000 0.963 205 R CA -0.803 55.292 56.100 -0.008 0.000 0.901 205 R CB 1.061 31.360 30.300 -0.002 0.000 1.160 205 R HN 0.555 nan 8.270 nan 0.000 0.457 206 I N 3.054 123.577 120.570 -0.078 0.000 2.752 206 I HA 0.038 4.208 4.170 -0.000 0.000 0.286 206 I C 1.304 177.345 176.117 -0.126 0.000 1.180 206 I CA 1.398 62.596 61.300 -0.171 0.000 1.404 206 I CB -0.115 37.737 38.000 -0.246 0.000 1.389 206 I HN 1.013 nan 8.210 nan 0.000 0.549 207 G N 5.228 113.949 108.800 -0.131 0.000 2.192 207 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.193 207 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.193 207 G C -0.083 174.798 174.900 -0.032 0.000 0.999 207 G CA -0.555 44.501 45.100 -0.074 0.000 0.659 207 G HN 0.515 nan 8.290 nan 0.000 0.503 208 D N 0.943 121.327 120.400 -0.026 0.000 2.277 208 D HA 0.500 5.140 4.640 -0.000 0.000 0.249 208 D C -0.950 175.373 176.300 0.038 0.000 1.134 208 D CA -1.448 52.556 54.000 0.006 0.000 0.863 208 D CB 1.592 42.396 40.800 0.007 0.000 1.143 208 D HN 0.056 nan 8.370 nan 0.000 0.458 209 P HA -0.025 nan 4.420 nan 0.000 0.226 209 P C -0.440 176.905 177.300 0.075 0.000 1.153 209 P CA 0.849 63.989 63.100 0.067 0.000 0.777 209 P CB 0.522 32.247 31.700 0.041 0.000 0.794 210 E N -1.855 118.378 120.200 0.055 0.000 2.413 210 E HA 0.379 4.729 4.350 -0.000 0.000 0.277 210 E C -0.705 175.918 176.600 0.039 0.000 0.958 210 E CA -0.917 55.511 56.400 0.048 0.000 0.779 210 E CB 1.490 31.207 29.700 0.028 0.000 1.278 210 E HN -0.146 nan 8.360 nan 0.000 0.456 211 L N 1.349 122.591 121.223 0.031 0.000 2.466 211 L HA 0.461 4.801 4.340 -0.000 0.000 0.257 211 L C 0.804 177.678 176.870 0.007 0.000 1.189 211 L CA -0.562 54.290 54.840 0.020 0.000 0.813 211 L CB 0.366 42.431 42.059 0.009 0.000 1.118 211 L HN 0.677 nan 8.230 nan 0.000 0.471 212 A N 2.188 125.009 122.820 0.003 0.000 2.407 212 A HA 0.221 4.540 4.320 -0.000 0.000 0.257 212 A C -2.166 175.411 177.584 -0.011 0.000 1.131 212 A CA -0.692 51.343 52.037 -0.003 0.000 0.803 212 A CB -1.024 17.974 19.000 -0.004 0.000 1.083 212 A HN 0.543 nan 8.150 nan 0.000 0.512 213 P HA 0.074 nan 4.420 nan 0.000 0.262 213 P C -1.773 175.510 177.300 -0.028 0.000 1.199 213 P CA -0.790 62.300 63.100 -0.017 0.000 0.763 213 P CB 0.273 31.965 31.700 -0.014 0.000 0.790 214 P HA -0.251 nan 4.420 nan 0.000 0.217 214 P C 1.280 178.545 177.300 -0.060 0.000 1.148 214 P CA 1.562 64.631 63.100 -0.053 0.000 0.834 214 P CB 0.255 31.924 31.700 -0.051 0.000 0.783 215 E N -0.116 120.058 120.200 -0.043 0.000 2.107 215 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 215 E C 1.931 178.508 176.600 -0.038 0.000 0.982 215 E CA 0.840 57.217 56.400 -0.039 0.000 0.809 215 E CB -0.192 29.494 29.700 -0.023 0.000 0.756 215 E HN -0.010 nan 8.360 nan 0.000 0.459 216 V N 1.208 121.103 119.914 -0.032 0.000 2.453 216 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 216 V C 2.342 178.413 176.094 -0.039 0.000 1.048 216 V CA 1.215 63.498 62.300 -0.029 0.000 1.049 216 V CB -0.393 31.419 31.823 -0.020 0.000 0.672 216 V HN 0.321 nan 8.190 nan 0.000 0.457 217 L N 0.294 121.488 121.223 -0.047 0.000 2.027 217 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 217 L C 2.458 179.279 176.870 -0.083 0.000 1.074 217 L CA 2.118 56.924 54.840 -0.057 0.000 0.745 217 L CB -0.882 41.142 42.059 -0.059 0.000 0.898 217 L HN 0.328 nan 8.230 nan 0.000 0.433 218 Q N -0.037 119.699 119.800 -0.108 0.000 2.135 218 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 218 Q C 2.164 178.106 176.000 -0.095 0.000 0.981 218 Q CA 2.103 57.811 55.803 -0.159 0.000 0.856 218 Q CB -0.343 28.291 28.738 -0.173 0.000 0.902 218 Q HN 0.621 nan 8.270 nan 0.000 0.425 219 E N -0.998 119.167 120.200 -0.059 0.000 2.106 219 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 219 E C 1.785 178.347 176.600 -0.063 0.000 0.984 219 E CA 1.583 57.958 56.400 -0.042 0.000 0.806 219 E CB -0.907 28.767 29.700 -0.043 0.000 0.750 219 E HN 0.435 nan 8.360 nan 0.000 0.458 220 G N -0.006 108.757 108.800 -0.061 0.000 2.402 220 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 220 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 220 G C 1.727 176.604 174.900 -0.037 0.000 1.162 220 G CA 0.927 45.993 45.100 -0.058 0.000 0.777 220 G HN 0.252 nan 8.290 nan 0.000 0.539 221 V N 0.614 120.507 119.914 -0.035 0.000 2.343 221 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 221 V C 2.776 178.927 176.094 0.095 0.000 1.051 221 V CA 2.093 64.390 62.300 -0.005 0.000 1.036 221 V CB -0.465 31.308 31.823 -0.084 0.000 0.654 221 V HN 0.382 nan 8.190 nan 0.000 0.451 222 R N 0.083 120.670 120.500 0.145 0.000 2.082 222 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 222 R C 2.600 179.023 176.300 0.204 0.000 1.136 222 R CA 1.888 58.201 56.100 0.355 0.000 0.935 222 R CB -0.237 30.262 30.300 0.331 0.000 0.842 222 R HN 0.422 nan 8.270 nan 0.000 0.430 223 R N 0.160 120.661 120.500 0.001 0.000 2.096 223 R HA -0.202 4.138 4.340 -0.000 0.000 0.240 223 R C 2.461 178.800 176.300 0.065 0.000 1.139 223 R CA 2.117 58.135 56.100 -0.137 0.000 0.952 223 R CB -0.496 29.464 30.300 -0.566 0.000 0.854 223 R HN 0.387 nan 8.270 nan 0.000 0.436 224 M N 0.715 120.331 119.600 0.026 0.000 2.065 224 M HA -0.195 4.285 4.480 -0.000 0.000 0.259 224 M C 2.034 178.325 176.300 -0.015 0.000 1.069 224 M CA 1.814 57.131 55.300 0.028 0.000 1.110 224 M CB -0.071 32.539 32.600 0.017 0.000 1.328 224 M HN 0.003 nan 8.290 nan 0.000 0.405 225 V N 0.730 120.607 119.914 -0.062 0.000 2.343 225 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 225 V C 2.310 178.165 176.094 -0.398 0.000 1.051 225 V CA 2.402 64.540 62.300 -0.269 0.000 1.036 225 V CB -1.000 30.568 31.823 -0.425 0.000 0.654 225 V HN 0.634 nan 8.190 nan 0.000 0.451 226 E N 0.018 120.085 120.200 -0.222 0.000 2.051 226 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 226 E C 2.209 178.794 176.600 -0.025 0.000 0.991 226 E CA 1.720 58.083 56.400 -0.062 0.000 0.799 226 E CB -0.044 29.821 29.700 0.276 0.000 0.748 226 E HN 0.405 nan 8.360 nan 0.000 0.449 227 V N 1.327 121.267 119.914 0.045 0.000 2.287 227 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 227 V C 2.488 178.558 176.094 -0.039 0.000 1.053 227 V CA 1.941 64.256 62.300 0.025 0.000 1.027 227 V CB -0.904 30.954 31.823 0.059 0.000 0.646 227 V HN 0.475 nan 8.190 nan 0.000 0.447 228 A N -0.292 122.483 122.820 -0.075 0.000 1.883 228 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 228 A C 2.228 179.725 177.584 -0.144 0.000 1.186 228 A CA 1.972 53.956 52.037 -0.090 0.000 0.624 228 A CB -0.582 18.360 19.000 -0.097 0.000 0.822 228 A HN 0.503 nan 8.150 nan 0.000 0.444 229 L N -0.650 120.402 121.223 -0.284 0.000 2.017 229 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 229 L C 2.744 179.501 176.870 -0.189 0.000 1.073 229 L CA 1.495 56.060 54.840 -0.458 0.000 0.745 229 L CB -0.647 40.752 42.059 -1.100 0.000 0.894 229 L HN 0.368 nan 8.230 nan 0.000 0.432 230 E N 0.236 120.406 120.200 -0.050 0.000 2.085 230 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 230 E C 2.266 178.891 176.600 0.042 0.000 0.994 230 E CA 1.447 57.903 56.400 0.092 0.000 0.801 230 E CB -0.259 29.485 29.700 0.074 0.000 0.743 230 E HN 0.497 nan 8.360 nan 0.000 0.453 231 A N 1.515 124.335 122.820 -0.001 0.000 1.858 231 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 231 A C 2.593 180.184 177.584 0.012 0.000 1.190 231 A CA 2.322 54.359 52.037 0.001 0.000 0.617 231 A CB -1.060 17.937 19.000 -0.006 0.000 0.827 231 A HN 0.218 nan 8.150 nan 0.000 0.443 232 V N -2.630 117.285 119.914 0.003 0.000 2.688 232 V HA -0.166 3.954 4.120 -0.000 0.000 0.256 232 V C 2.110 178.225 176.094 0.036 0.000 1.084 232 V CA 1.950 64.260 62.300 0.017 0.000 1.103 232 V CB -0.905 30.920 31.823 0.005 0.000 0.688 232 V HN 0.253 nan 8.190 nan 0.000 0.480 233 L N 0.376 121.632 121.223 0.056 0.000 2.376 233 L HA 0.086 4.425 4.340 -0.000 0.000 0.219 233 L C 2.588 179.487 176.870 0.048 0.000 1.133 233 L CA 1.415 56.300 54.840 0.076 0.000 0.816 233 L CB -0.824 41.313 42.059 0.129 0.000 0.933 233 L HN 0.375 nan 8.230 nan 0.000 0.449 234 E N -0.641 119.580 120.200 0.035 0.000 2.358 234 E HA 0.017 4.367 4.350 -0.000 0.000 0.195 234 E C 0.682 177.292 176.600 0.018 0.000 1.010 234 E CA 0.521 56.934 56.400 0.020 0.000 0.856 234 E CB 0.126 29.832 29.700 0.010 0.000 0.795 234 E HN 0.379 nan 8.360 nan 0.000 0.504 235 V N 0.000 119.928 119.914 0.023 0.000 2.409 235 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 235 V CA 0.000 62.313 62.300 0.021 0.000 1.235 235 V CB 0.000 31.837 31.823 0.024 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556