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 1cqx_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLTQKTKDIV KATAPVLAEH GYDIIKCFYQ RMFEAHPELK NVFNMAHQEQ DATA SEQUENCE GQQQQALARA VYAYAENIED PNSLMAVLKN IANKHASLGV KPEQYPIVGE DATA SEQUENCE HLLAAIKEVL GNAATDDIIS AWAQAYGNLA DVLMGMESEL YERSAEQPGG DATA SEQUENCE WKGWRTFVIR EKRPESDVIT SFILEPADGG PVVNFEPGQY TSVAIDVPAL DATA SEQUENCE GLQQIRQYSL SDMPNGRTYR ISVKREGGGP QPPGYVSNLL HDHVNVGDQV DATA SEQUENCE KLAAPYGSFH IDVDAKTPIV LISGGVGLTP MVSMLKVALQ APPRQVVFVH DATA SEQUENCE GARNSAVHAM RDRLREAAKT YENLDLFVFY DQPLPEDVQG RDYDYPGLVD DATA SEQUENCE VKQIEKSILL PDADYYICGP IPFMRMQHDA LKNLGIHEAR IHYEVFGPDL DATA SEQUENCE FAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.283 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.024 0.000 1.302 2 L N 3.437 124.639 121.223 -0.035 0.000 2.360 2 L HA 0.292 4.632 4.340 -0.000 0.000 0.276 2 L C 1.078 177.918 176.870 -0.050 0.000 1.121 2 L CA 0.802 55.614 54.840 -0.046 0.000 0.845 2 L CB 1.213 43.236 42.059 -0.060 0.000 1.143 2 L HN 0.400 nan 8.230 nan 0.000 0.452 3 T N -0.199 114.326 114.554 -0.049 0.000 2.766 3 T HA 0.105 4.455 4.350 -0.000 0.000 0.295 3 T C 0.870 175.536 174.700 -0.057 0.000 1.024 3 T CA -0.427 61.646 62.100 -0.045 0.000 1.018 3 T CB 0.730 69.575 68.868 -0.038 0.000 1.002 3 T HN 0.544 nan 8.240 nan 0.000 0.532 4 Q N 0.604 120.374 119.800 -0.051 0.000 2.084 4 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 4 Q C 2.162 178.126 176.000 -0.060 0.000 0.978 4 Q CA 1.822 57.592 55.803 -0.057 0.000 0.844 4 Q CB -0.408 28.303 28.738 -0.045 0.000 0.898 4 Q HN 0.784 nan 8.270 nan 0.000 0.426 5 K N -0.946 119.424 120.400 -0.050 0.000 2.063 5 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 5 K C 2.126 178.688 176.600 -0.064 0.000 1.048 5 K CA 1.738 57.996 56.287 -0.047 0.000 0.928 5 K CB -0.258 32.222 32.500 -0.035 0.000 0.713 5 K HN 0.246 nan 8.250 nan 0.000 0.442 6 T N 1.429 115.939 114.554 -0.074 0.000 2.708 6 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 6 T C 1.690 176.299 174.700 -0.152 0.000 1.037 6 T CA 1.230 63.268 62.100 -0.103 0.000 1.146 6 T CB -0.057 68.754 68.868 -0.094 0.000 0.865 6 T HN 0.232 nan 8.240 nan 0.000 0.435 7 K N 0.840 121.155 120.400 -0.141 0.000 2.097 7 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 7 K C 1.982 178.482 176.600 -0.166 0.000 1.049 7 K CA 1.334 57.513 56.287 -0.180 0.000 0.933 7 K CB -0.134 32.276 32.500 -0.150 0.000 0.717 7 K HN 0.309 nan 8.250 nan 0.000 0.442 8 D N 0.896 121.228 120.400 -0.113 0.000 2.178 8 D HA -0.100 4.540 4.640 -0.000 0.000 0.202 8 D C 1.885 178.144 176.300 -0.069 0.000 0.974 8 D CA 0.935 54.887 54.000 -0.080 0.000 0.841 8 D CB -0.079 40.689 40.800 -0.052 0.000 0.953 8 D HN 0.214 nan 8.370 nan 0.000 0.478 9 I N 0.502 121.023 120.570 -0.082 0.000 2.252 9 I HA -0.200 3.969 4.170 -0.000 0.000 0.245 9 I C 2.427 178.504 176.117 -0.067 0.000 1.102 9 I CA 0.485 61.755 61.300 -0.049 0.000 1.385 9 I CB -0.125 37.845 38.000 -0.050 0.000 1.064 9 I HN -0.129 nan 8.210 nan 0.000 0.414 10 V N 1.142 120.905 119.914 -0.251 0.000 2.287 10 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 10 V C 2.438 178.466 176.094 -0.110 0.000 1.053 10 V CA 1.922 63.955 62.300 -0.446 0.000 1.027 10 V CB -0.665 30.733 31.823 -0.708 0.000 0.646 10 V HN 0.391 nan 8.190 nan 0.000 0.447 11 K N 0.033 120.363 120.400 -0.116 0.000 2.097 11 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 11 K C 2.252 178.879 176.600 0.045 0.000 1.050 11 K CA 1.398 57.665 56.287 -0.035 0.000 0.938 11 K CB -0.360 32.102 32.500 -0.063 0.000 0.718 11 K HN 0.481 nan 8.250 nan 0.000 0.442 12 A N 1.104 123.950 122.820 0.042 0.000 1.968 12 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 12 A C 2.118 179.768 177.584 0.110 0.000 1.169 12 A CA 1.902 53.979 52.037 0.066 0.000 0.638 12 A CB -0.598 18.429 19.000 0.046 0.000 0.812 12 A HN 0.442 nan 8.150 nan 0.000 0.446 13 T N -3.617 111.045 114.554 0.180 0.000 3.060 13 T HA 0.458 4.808 4.350 -0.000 0.000 0.249 13 T C 1.726 176.563 174.700 0.228 0.000 1.079 13 T CA 0.893 63.130 62.100 0.228 0.000 1.013 13 T CB 0.067 69.144 68.868 0.348 0.000 0.975 13 T HN 0.442 nan 8.240 nan 0.000 0.518 14 A N 3.109 126.093 122.820 0.272 0.000 1.917 14 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 14 A C 0.207 177.695 177.584 -0.159 0.000 1.182 14 A CA 1.399 53.518 52.037 0.136 0.000 0.633 14 A CB -1.667 17.390 19.000 0.095 0.000 0.819 14 A HN 0.467 nan 8.150 nan 0.000 0.448 15 P HA -0.105 nan 4.420 nan 0.000 0.218 15 P C 1.499 178.777 177.300 -0.037 0.000 1.148 15 P CA 1.328 64.416 63.100 -0.020 0.000 0.822 15 P CB -0.061 31.719 31.700 0.132 0.000 0.784 16 V N -1.323 118.584 119.914 -0.013 0.000 2.453 16 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 16 V C 2.231 178.322 176.094 -0.005 0.000 1.048 16 V CA 1.431 63.743 62.300 0.019 0.000 1.049 16 V CB -1.059 30.800 31.823 0.061 0.000 0.672 16 V HN 0.024 nan 8.190 nan 0.000 0.457 17 L N 0.466 121.596 121.223 -0.155 0.000 2.109 17 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 17 L C 2.602 179.355 176.870 -0.195 0.000 1.086 17 L CA 2.019 56.700 54.840 -0.265 0.000 0.760 17 L CB -1.051 40.636 42.059 -0.621 0.000 0.910 17 L HN 0.269 nan 8.230 nan 0.000 0.437 18 A N -0.731 121.953 122.820 -0.225 0.000 1.902 18 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 18 A C 2.331 179.867 177.584 -0.080 0.000 1.181 18 A CA 1.793 53.725 52.037 -0.176 0.000 0.623 18 A CB -0.622 18.189 19.000 -0.315 0.000 0.818 18 A HN 0.500 nan 8.150 nan 0.000 0.443 19 E N -0.761 119.375 120.200 -0.107 0.000 2.097 19 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 19 E C 1.128 177.571 176.600 -0.261 0.000 1.000 19 E CA 1.416 57.702 56.400 -0.191 0.000 0.804 19 E CB -0.245 29.272 29.700 -0.305 0.000 0.740 19 E HN 0.775 nan 8.360 nan 0.000 0.454 20 H N -1.050 117.993 119.070 -0.046 0.000 2.517 20 H HA 0.141 4.697 4.556 -0.000 0.000 0.282 20 H C 1.662 176.957 175.328 -0.055 0.000 1.023 20 H CA 0.481 56.502 56.048 -0.044 0.000 1.169 20 H CB 0.455 30.169 29.762 -0.080 0.000 1.454 20 H HN 0.313 nan 8.280 nan 0.000 0.556 21 G N 1.064 109.878 108.800 0.024 0.000 2.599 21 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.219 21 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.219 21 G C 1.551 176.461 174.900 0.016 0.000 1.193 21 G CA 1.109 46.204 45.100 -0.009 0.000 0.778 21 G HN 0.487 nan 8.290 nan 0.000 0.589 22 Y N 1.723 122.013 120.300 -0.016 0.000 2.181 22 Y HA -0.112 4.438 4.550 -0.000 0.000 0.288 22 Y C 2.511 178.410 175.900 -0.001 0.000 1.146 22 Y CA 2.104 60.204 58.100 -0.001 0.000 1.164 22 Y CB -0.044 38.424 38.460 0.014 0.000 0.982 22 Y HN 0.208 nan 8.280 nan 0.000 0.515 23 D N 0.407 120.789 120.400 -0.031 0.000 2.144 23 D HA -0.182 4.458 4.640 -0.000 0.000 0.200 23 D C 2.288 178.486 176.300 -0.170 0.000 0.978 23 D CA 1.708 55.644 54.000 -0.107 0.000 0.833 23 D CB -0.203 40.633 40.800 0.061 0.000 0.961 23 D HN 0.474 nan 8.370 nan 0.000 0.470 24 I N 0.988 121.477 120.570 -0.136 0.000 2.179 24 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 24 I C 2.332 178.326 176.117 -0.205 0.000 1.088 24 I CA 0.615 61.817 61.300 -0.163 0.000 1.357 24 I CB -0.055 37.839 38.000 -0.176 0.000 1.051 24 I HN -0.028 nan 8.210 nan 0.000 0.409 25 I N 0.913 121.323 120.570 -0.266 0.000 2.286 25 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 25 I C 2.512 178.399 176.117 -0.384 0.000 1.115 25 I CA 1.491 62.584 61.300 -0.345 0.000 1.392 25 I CB -1.073 36.724 38.000 -0.338 0.000 1.065 25 I HN 0.309 nan 8.210 nan 0.000 0.418 26 K N 0.305 120.479 120.400 -0.377 0.000 2.026 26 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 26 K C 2.491 178.996 176.600 -0.159 0.000 1.048 26 K CA 1.882 58.009 56.287 -0.267 0.000 0.929 26 K CB -0.247 32.000 32.500 -0.422 0.000 0.713 26 K HN 0.353 nan 8.250 nan 0.000 0.439 27 C N 0.759 119.964 119.300 -0.157 0.000 2.440 27 C HA -0.093 4.367 4.460 -0.000 0.000 0.278 27 C C 2.490 177.414 174.990 -0.111 0.000 1.295 27 C CA 0.497 59.450 59.018 -0.108 0.000 1.738 27 C CB -1.352 26.335 27.740 -0.089 0.000 1.987 27 C HN 0.652 nan 8.230 nan 0.000 0.492 28 F N 0.576 120.344 119.950 -0.304 0.000 2.069 28 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 28 F C 2.046 177.594 175.800 -0.420 0.000 1.113 28 F CA 1.944 59.728 58.000 -0.360 0.000 1.214 28 F CB -1.222 37.488 39.000 -0.483 0.000 0.978 28 F HN 0.385 nan 8.300 nan 0.000 0.474 29 Y N 0.235 120.062 120.300 -0.789 0.000 2.097 29 Y HA -0.307 4.243 4.550 -0.000 0.000 0.282 29 Y C 2.832 178.212 175.900 -0.866 0.000 1.152 29 Y CA 1.081 58.492 58.100 -1.150 0.000 1.136 29 Y CB -0.564 37.521 38.460 -0.626 0.000 0.975 29 Y HN 0.123 nan 8.280 nan 0.000 0.498 30 Q N 0.454 120.106 119.800 -0.246 0.000 2.077 30 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 30 Q C 2.239 178.115 176.000 -0.207 0.000 0.989 30 Q CA 1.663 57.382 55.803 -0.141 0.000 0.853 30 Q CB -0.388 28.304 28.738 -0.077 0.000 0.907 30 Q HN 0.544 nan 8.270 nan 0.000 0.418 31 R N -0.071 120.271 120.500 -0.264 0.000 2.070 31 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 31 R C 2.384 178.361 176.300 -0.538 0.000 1.138 31 R CA 1.613 57.554 56.100 -0.265 0.000 0.936 31 R CB -0.382 29.846 30.300 -0.120 0.000 0.839 31 R HN 0.254 nan 8.270 nan 0.000 0.429 32 M N 0.087 119.193 119.600 -0.823 0.000 2.108 32 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 32 M C 1.648 177.690 176.300 -0.429 0.000 1.066 32 M CA 1.825 56.542 55.300 -0.972 0.000 1.107 32 M CB -0.068 31.913 32.600 -1.032 0.000 1.356 32 M HN 0.142 nan 8.290 nan 0.000 0.406 33 F N -0.056 119.690 119.950 -0.339 0.000 2.365 33 F HA -0.158 4.369 4.527 -0.000 0.000 0.300 33 F C 2.263 177.967 175.800 -0.159 0.000 1.090 33 F CA 0.502 58.379 58.000 -0.206 0.000 1.408 33 F CB -0.172 38.712 39.000 -0.194 0.000 1.060 33 F HN 0.278 nan 8.300 nan 0.000 0.534 34 E N 0.297 120.490 120.200 -0.011 0.000 2.112 34 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 34 E C 2.291 178.852 176.600 -0.065 0.000 0.979 34 E CA 0.801 57.180 56.400 -0.035 0.000 0.814 34 E CB -0.040 29.629 29.700 -0.052 0.000 0.762 34 E HN 0.356 nan 8.360 nan 0.000 0.460 35 A N 0.382 123.135 122.820 -0.112 0.000 1.903 35 A HA -0.031 4.289 4.320 -0.000 0.000 0.213 35 A C 0.942 178.366 177.584 -0.267 0.000 1.185 35 A CA 0.700 52.653 52.037 -0.141 0.000 0.628 35 A CB 0.134 19.108 19.000 -0.043 0.000 0.830 35 A HN 0.175 nan 8.150 nan 0.000 0.446 36 H N -0.570 118.495 119.070 -0.007 0.000 2.348 36 H HA 0.196 4.752 4.556 -0.000 0.000 0.232 36 H C -2.066 173.319 175.328 0.094 0.000 1.419 36 H CA -1.321 54.761 56.048 0.055 0.000 1.416 36 H CB 0.968 30.780 29.762 0.084 0.000 1.510 36 H HN 0.358 nan 8.280 nan 0.000 0.507 37 P HA -0.176 nan 4.420 nan 0.000 0.222 37 P C 1.351 178.648 177.300 -0.004 0.000 1.147 37 P CA 0.955 64.066 63.100 0.019 0.000 0.790 37 P CB 0.447 32.129 31.700 -0.030 0.000 0.780 38 E N 0.983 121.226 120.200 0.070 0.000 2.265 38 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 38 E C 1.910 178.561 176.600 0.084 0.000 0.996 38 E CA 0.747 57.184 56.400 0.062 0.000 0.832 38 E CB -1.282 28.477 29.700 0.097 0.000 0.756 38 E HN 0.336 nan 8.360 nan 0.000 0.491 39 L N 0.379 121.703 121.223 0.169 0.000 2.465 39 L HA 0.019 4.359 4.340 -0.000 0.000 0.224 39 L C 2.330 179.328 176.870 0.212 0.000 1.145 39 L CA 0.592 55.606 54.840 0.290 0.000 0.834 39 L CB -0.212 42.151 42.059 0.506 0.000 0.944 39 L HN 0.004 nan 8.230 nan 0.000 0.451 40 K N 0.051 120.342 120.400 -0.182 0.000 2.442 40 K HA -0.058 4.262 4.320 -0.000 0.000 0.198 40 K C 1.229 177.722 176.600 -0.178 0.000 1.042 40 K CA 0.499 56.506 56.287 -0.466 0.000 0.958 40 K CB -0.036 32.062 32.500 -0.670 0.000 0.766 40 K HN 0.362 nan 8.250 nan 0.000 0.474 41 N N 0.259 118.916 118.700 -0.070 0.000 2.412 41 N HA -0.038 4.702 4.740 -0.000 0.000 0.184 41 N C 1.207 176.720 175.510 0.004 0.000 1.101 41 N CA 0.592 53.614 53.050 -0.047 0.000 0.881 41 N CB 0.710 39.179 38.487 -0.030 0.000 0.969 41 N HN -0.008 nan 8.380 nan 0.000 0.459 42 V N -0.562 119.381 119.914 0.049 0.000 3.151 42 V HA 0.209 4.329 4.120 -0.000 0.000 0.241 42 V C 0.475 176.528 176.094 -0.067 0.000 1.173 42 V CA 0.312 62.611 62.300 -0.001 0.000 1.154 42 V CB 0.035 31.825 31.823 -0.055 0.000 0.898 42 V HN -0.081 nan 8.190 nan 0.000 0.473 43 F N 1.152 121.148 119.950 0.077 0.000 2.370 43 F HA 0.371 4.898 4.527 0.000 0.000 0.319 43 F C 0.809 176.618 175.800 0.015 0.000 1.129 43 F CA -0.397 57.665 58.000 0.103 0.000 1.109 43 F CB 0.279 39.421 39.000 0.235 0.000 1.262 43 F HN -0.048 nan 8.300 nan 0.000 0.534 44 N N 2.327 121.170 118.700 0.238 0.000 2.411 44 N HA 0.050 4.790 4.740 -0.000 0.000 0.259 44 N C 0.339 175.893 175.510 0.073 0.000 1.103 44 N CA -0.021 53.105 53.050 0.126 0.000 0.954 44 N CB 0.762 39.331 38.487 0.137 0.000 1.085 44 N HN 0.502 nan 8.380 nan 0.000 0.485 45 M N 1.558 121.167 119.600 0.014 0.000 2.618 45 M HA 0.128 4.608 4.480 -0.000 0.000 0.240 45 M C 0.602 176.929 176.300 0.044 0.000 1.123 45 M CA -0.057 55.218 55.300 -0.041 0.000 1.060 45 M CB -1.104 31.397 32.600 -0.165 0.000 1.535 45 M HN 0.461 nan 8.290 nan 0.000 0.507 46 A N 0.154 123.063 122.820 0.149 0.000 2.407 46 A HA 0.225 4.545 4.320 -0.000 0.000 0.248 46 A C -0.447 177.204 177.584 0.113 0.000 1.082 46 A CA -0.160 51.952 52.037 0.125 0.000 0.785 46 A CB -0.218 18.849 19.000 0.112 0.000 1.020 46 A HN 0.517 nan 8.150 nan 0.000 0.489 47 H N 0.243 119.365 119.070 0.087 0.000 2.562 47 H HA 0.404 4.959 4.556 -0.000 0.000 0.352 47 H C 0.164 175.538 175.328 0.076 0.000 1.125 47 H CA -0.112 55.987 56.048 0.085 0.000 1.379 47 H CB 0.824 30.628 29.762 0.069 0.000 1.464 47 H HN 0.783 nan 8.280 nan 0.000 0.563 48 Q N 1.381 121.321 119.800 0.234 0.000 2.458 48 Q HA 0.134 4.473 4.340 -0.000 0.000 0.282 48 Q C -0.861 175.211 176.000 0.119 0.000 1.106 48 Q CA -1.026 54.870 55.803 0.156 0.000 0.814 48 Q CB 2.033 30.868 28.738 0.162 0.000 1.425 48 Q HN 0.587 nan 8.270 nan 0.000 0.437 49 E N 1.938 122.179 120.200 0.068 0.000 2.351 49 E HA -0.108 4.242 4.350 -0.000 0.000 0.266 49 E C 0.467 177.050 176.600 -0.028 0.000 1.031 49 E CA 0.402 56.810 56.400 0.014 0.000 0.911 49 E CB 1.100 30.803 29.700 0.005 0.000 0.986 49 E HN 0.770 nan 8.360 nan 0.000 0.446 50 Q N 3.801 123.518 119.800 -0.138 0.000 2.173 50 Q HA -0.204 4.136 4.340 -0.000 0.000 0.208 50 Q C 1.474 177.284 176.000 -0.316 0.000 0.989 50 Q CA 2.162 57.707 55.803 -0.431 0.000 0.872 50 Q CB -0.263 28.040 28.738 -0.726 0.000 0.909 50 Q HN 0.738 nan 8.270 nan 0.000 0.420 51 G N 0.314 109.010 108.800 -0.174 0.000 2.421 51 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 51 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 51 G C 1.235 176.110 174.900 -0.041 0.000 1.171 51 G CA 0.856 45.895 45.100 -0.103 0.000 0.775 51 G HN 0.498 nan 8.290 nan 0.000 0.543 52 Q N -0.489 119.304 119.800 -0.011 0.000 2.172 52 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 52 Q C 2.499 178.534 176.000 0.059 0.000 0.964 52 Q CA 1.133 56.954 55.803 0.029 0.000 0.855 52 Q CB -0.132 28.632 28.738 0.043 0.000 0.918 52 Q HN 0.609 nan 8.270 nan 0.000 0.444 53 Q N 0.718 120.565 119.800 0.079 0.000 2.083 53 Q HA -0.241 4.099 4.340 -0.000 0.000 0.198 53 Q C 2.145 178.236 176.000 0.152 0.000 0.969 53 Q CA 1.324 57.221 55.803 0.156 0.000 0.838 53 Q CB 0.130 29.037 28.738 0.282 0.000 0.900 53 Q HN 0.180 nan 8.270 nan 0.000 0.436 54 Q N 0.575 120.439 119.800 0.106 0.000 2.061 54 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 54 Q C 1.825 177.870 176.000 0.076 0.000 0.984 54 Q CA 2.164 58.026 55.803 0.098 0.000 0.846 54 Q CB -0.143 28.606 28.738 0.018 0.000 0.902 54 Q HN 0.465 nan 8.270 nan 0.000 0.421 55 Q N -0.676 119.157 119.800 0.055 0.000 2.050 55 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 55 Q C 2.089 178.132 176.000 0.071 0.000 0.980 55 Q CA 1.430 57.266 55.803 0.055 0.000 0.840 55 Q CB -0.320 28.440 28.738 0.037 0.000 0.898 55 Q HN 0.532 nan 8.270 nan 0.000 0.424 56 A N 0.950 123.815 122.820 0.075 0.000 1.877 56 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 56 A C 2.091 179.723 177.584 0.080 0.000 1.186 56 A CA 1.193 53.277 52.037 0.078 0.000 0.620 56 A CB -0.737 18.315 19.000 0.087 0.000 0.822 56 A HN 0.281 nan 8.150 nan 0.000 0.443 57 L N -0.805 120.468 121.223 0.082 0.000 2.046 57 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 57 L C 3.103 180.005 176.870 0.053 0.000 1.077 57 L CA 1.030 55.905 54.840 0.058 0.000 0.747 57 L CB -0.581 41.508 42.059 0.051 0.000 0.896 57 L HN 0.440 nan 8.230 nan 0.000 0.432 58 A N 0.192 123.061 122.820 0.082 0.000 1.902 58 A HA -0.214 4.105 4.320 -0.000 0.000 0.217 58 A C 2.396 180.120 177.584 0.233 0.000 1.181 58 A CA 1.549 53.664 52.037 0.130 0.000 0.623 58 A CB -0.497 18.614 19.000 0.186 0.000 0.818 58 A HN 0.315 nan 8.150 nan 0.000 0.443 59 R N -0.592 120.021 120.500 0.187 0.000 2.105 59 R HA -0.106 4.234 4.340 -0.000 0.000 0.239 59 R C 2.461 178.858 176.300 0.162 0.000 1.135 59 R CA 1.176 57.385 56.100 0.181 0.000 0.967 59 R CB -0.458 29.897 30.300 0.092 0.000 0.861 59 R HN 0.537 nan 8.270 nan 0.000 0.442 60 A N 0.620 123.506 122.820 0.111 0.000 1.877 60 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 60 A C 2.356 180.014 177.584 0.124 0.000 1.186 60 A CA 1.347 53.439 52.037 0.092 0.000 0.620 60 A CB -0.550 18.483 19.000 0.054 0.000 0.822 60 A HN 0.110 nan 8.150 nan 0.000 0.443 61 V N -1.403 118.558 119.914 0.079 0.000 2.295 61 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 61 V C 2.374 178.527 176.094 0.098 0.000 1.049 61 V CA 2.082 64.422 62.300 0.068 0.000 1.024 61 V CB -1.085 30.658 31.823 -0.134 0.000 0.648 61 V HN 0.684 nan 8.190 nan 0.000 0.447 62 Y N 0.293 120.672 120.300 0.131 0.000 2.242 62 Y HA -0.153 4.397 4.550 -0.000 0.000 0.291 62 Y C 2.516 178.478 175.900 0.103 0.000 1.137 62 Y CA 1.157 59.320 58.100 0.105 0.000 1.181 62 Y CB -0.511 37.988 38.460 0.064 0.000 0.989 62 Y HN 0.212 nan 8.280 nan 0.000 0.527 63 A N -0.511 122.464 122.820 0.258 0.000 1.933 63 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 63 A C 1.967 179.672 177.584 0.201 0.000 1.175 63 A CA 1.764 53.915 52.037 0.190 0.000 0.628 63 A CB -1.164 17.921 19.000 0.142 0.000 0.814 63 A HN 0.596 nan 8.150 nan 0.000 0.444 64 Y N 0.539 120.891 120.300 0.086 0.000 2.133 64 Y HA 0.005 4.555 4.550 -0.000 0.000 0.287 64 Y C 2.686 178.617 175.900 0.050 0.000 1.134 64 Y CA 1.067 59.203 58.100 0.061 0.000 1.133 64 Y CB -0.911 37.600 38.460 0.084 0.000 0.987 64 Y HN 0.284 nan 8.280 nan 0.000 0.502 65 A N 0.273 123.063 122.820 -0.051 0.000 1.940 65 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 65 A C 2.269 179.798 177.584 -0.092 0.000 1.176 65 A CA 1.961 53.905 52.037 -0.156 0.000 0.631 65 A CB -0.971 18.043 19.000 0.023 0.000 0.814 65 A HN 0.674 nan 8.150 nan 0.000 0.446 66 E N -0.370 119.842 120.200 0.021 0.000 2.204 66 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 66 E C 0.668 177.259 176.600 -0.015 0.000 0.989 66 E CA 1.169 57.586 56.400 0.028 0.000 0.824 66 E CB -0.054 29.695 29.700 0.082 0.000 0.756 66 E HN 0.620 nan 8.360 nan 0.000 0.477 67 N N 0.381 119.059 118.700 -0.035 0.000 2.177 67 N HA 0.054 4.794 4.740 -0.000 0.000 0.218 67 N C 1.362 176.815 175.510 -0.095 0.000 1.182 67 N CA -0.048 52.979 53.050 -0.039 0.000 0.882 67 N CB 0.477 38.975 38.487 0.018 0.000 1.052 67 N HN 0.244 nan 8.380 nan 0.000 0.519 68 I N 1.020 121.460 120.570 -0.217 0.000 2.567 68 I HA -0.155 4.015 4.170 -0.000 0.000 0.257 68 I C 1.060 177.079 176.117 -0.163 0.000 1.184 68 I CA 1.340 62.466 61.300 -0.290 0.000 1.451 68 I CB 0.382 38.062 38.000 -0.534 0.000 1.089 68 I HN -0.022 nan 8.210 nan 0.000 0.441 69 E N -0.154 119.972 120.200 -0.124 0.000 2.481 69 E HA 0.045 4.395 4.350 -0.000 0.000 0.198 69 E C -0.217 176.341 176.600 -0.070 0.000 1.027 69 E CA 0.126 56.472 56.400 -0.090 0.000 0.900 69 E CB 0.182 29.834 29.700 -0.081 0.000 0.993 69 E HN 0.331 nan 8.360 nan 0.000 0.482 70 D N 0.978 121.338 120.400 -0.067 0.000 2.477 70 D HA 0.174 4.814 4.640 -0.000 0.000 0.239 70 D C -1.988 174.279 176.300 -0.055 0.000 1.102 70 D CA -2.433 51.528 54.000 -0.064 0.000 0.901 70 D CB 1.649 42.411 40.800 -0.064 0.000 1.026 70 D HN -0.227 nan 8.370 nan 0.000 0.515 71 P HA -0.141 nan 4.420 nan 0.000 0.216 71 P C 1.015 178.291 177.300 -0.040 0.000 1.157 71 P CA 0.984 64.060 63.100 -0.041 0.000 0.880 71 P CB 0.401 32.076 31.700 -0.042 0.000 0.791 72 N N -1.355 117.310 118.700 -0.057 0.000 2.244 72 N HA -0.060 4.680 4.740 -0.000 0.000 0.183 72 N C 1.705 177.186 175.510 -0.048 0.000 1.016 72 N CA 1.118 54.134 53.050 -0.057 0.000 0.866 72 N CB -0.732 37.705 38.487 -0.083 0.000 0.980 72 N HN 0.128 nan 8.380 nan 0.000 0.430 73 S N 0.906 116.574 115.700 -0.053 0.000 2.377 73 S HA 0.021 4.491 4.470 -0.000 0.000 0.223 73 S C 1.861 176.461 174.600 -0.001 0.000 1.030 73 S CA 0.109 58.293 58.200 -0.027 0.000 0.970 73 S CB -0.121 63.062 63.200 -0.027 0.000 0.830 73 S HN 0.159 nan 8.310 nan 0.000 0.473 74 L N 1.735 122.958 121.223 0.001 0.000 2.056 74 L HA 0.044 4.384 4.340 -0.000 0.000 0.207 74 L C 2.032 178.911 176.870 0.014 0.000 1.078 74 L CA 1.719 56.576 54.840 0.028 0.000 0.749 74 L CB -0.632 41.449 42.059 0.036 0.000 0.901 74 L HN 0.198 nan 8.230 nan 0.000 0.433 75 M N -0.715 118.882 119.600 -0.005 0.000 2.159 75 M HA -0.101 4.378 4.480 -0.000 0.000 0.263 75 M C 2.403 178.695 176.300 -0.013 0.000 1.063 75 M CA 1.608 56.900 55.300 -0.014 0.000 1.110 75 M CB -1.666 30.923 32.600 -0.019 0.000 1.374 75 M HN 0.427 nan 8.290 nan 0.000 0.411 76 A N 0.488 123.304 122.820 -0.007 0.000 1.883 76 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 76 A C 2.290 179.870 177.584 -0.007 0.000 1.186 76 A CA 2.400 54.436 52.037 -0.001 0.000 0.624 76 A CB -1.170 17.829 19.000 -0.002 0.000 0.822 76 A HN 0.406 nan 8.150 nan 0.000 0.444 77 V N -2.093 117.818 119.914 -0.004 0.000 2.453 77 V HA -0.114 4.006 4.120 -0.000 0.000 0.247 77 V C 2.223 178.293 176.094 -0.040 0.000 1.048 77 V CA 1.766 64.058 62.300 -0.015 0.000 1.049 77 V CB -0.939 30.893 31.823 0.016 0.000 0.672 77 V HN 0.438 nan 8.190 nan 0.000 0.457 78 L N -0.361 120.840 121.223 -0.037 0.000 2.201 78 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 78 L C 2.843 179.658 176.870 -0.091 0.000 1.105 78 L CA 1.541 56.339 54.840 -0.071 0.000 0.775 78 L CB -0.602 41.420 42.059 -0.060 0.000 0.913 78 L HN 0.319 nan 8.230 nan 0.000 0.440 79 K N 0.126 120.489 120.400 -0.063 0.000 2.097 79 K HA -0.198 4.122 4.320 -0.000 0.000 0.205 79 K C 1.747 178.308 176.600 -0.066 0.000 1.050 79 K CA 1.625 57.876 56.287 -0.060 0.000 0.938 79 K CB -0.245 32.240 32.500 -0.026 0.000 0.718 79 K HN 0.307 nan 8.250 nan 0.000 0.442 80 N N 1.256 119.920 118.700 -0.060 0.000 2.084 80 N HA -0.133 4.606 4.740 -0.000 0.000 0.190 80 N C 1.756 177.207 175.510 -0.099 0.000 1.030 80 N CA 1.039 54.056 53.050 -0.056 0.000 0.849 80 N CB -0.000 38.437 38.487 -0.083 0.000 1.012 80 N HN 0.064 nan 8.380 nan 0.000 0.423 81 I N 0.383 120.855 120.570 -0.163 0.000 2.226 81 I HA -0.212 3.957 4.170 -0.000 0.000 0.245 81 I C 2.423 178.274 176.117 -0.443 0.000 1.100 81 I CA 0.989 62.108 61.300 -0.301 0.000 1.374 81 I CB -0.481 37.325 38.000 -0.324 0.000 1.057 81 I HN 0.251 nan 8.210 nan 0.000 0.413 82 A N 0.932 123.565 122.820 -0.311 0.000 1.908 82 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 82 A C 2.133 179.565 177.584 -0.252 0.000 1.181 82 A CA 1.903 53.778 52.037 -0.270 0.000 0.627 82 A CB -0.772 18.113 19.000 -0.192 0.000 0.818 82 A HN 0.459 nan 8.150 nan 0.000 0.445 83 N N -0.578 118.014 118.700 -0.179 0.000 2.142 83 N HA -0.157 4.582 4.740 -0.000 0.000 0.186 83 N C 1.791 177.263 175.510 -0.063 0.000 1.023 83 N CA 1.618 54.580 53.050 -0.146 0.000 0.852 83 N CB -0.139 38.352 38.487 0.006 0.000 0.998 83 N HN 0.422 nan 8.380 nan 0.000 0.424 84 K N 0.892 121.301 120.400 0.016 0.000 2.057 84 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 84 K C 1.800 178.458 176.600 0.097 0.000 1.050 84 K CA 1.328 57.675 56.287 0.101 0.000 0.935 84 K CB -0.300 32.215 32.500 0.024 0.000 0.715 84 K HN 0.397 nan 8.250 nan 0.000 0.439 85 H N -1.220 117.799 119.070 -0.084 0.000 2.321 85 H HA -0.070 4.486 4.556 -0.000 0.000 0.300 85 H C 1.807 177.046 175.328 -0.149 0.000 1.087 85 H CA 0.767 56.757 56.048 -0.097 0.000 1.319 85 H CB 0.046 29.761 29.762 -0.080 0.000 1.379 85 H HN 0.342 nan 8.280 nan 0.000 0.501 86 A N 0.242 122.924 122.820 -0.231 0.000 1.940 86 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 86 A C 2.488 179.885 177.584 -0.313 0.000 1.176 86 A CA 1.824 53.547 52.037 -0.524 0.000 0.631 86 A CB -0.720 17.503 19.000 -1.296 0.000 0.814 86 A HN 0.371 nan 8.150 nan 0.000 0.446 87 S N -0.738 114.836 115.700 -0.211 0.000 2.383 87 S HA -0.031 4.439 4.470 -0.000 0.000 0.227 87 S C 1.762 176.420 174.600 0.097 0.000 1.026 87 S CA 1.288 59.560 58.200 0.122 0.000 0.981 87 S CB -0.394 63.022 63.200 0.360 0.000 0.818 87 S HN 0.497 nan 8.310 nan 0.000 0.472 88 L N 0.368 121.645 121.223 0.089 0.000 2.418 88 L HA 0.233 4.573 4.340 -0.000 0.000 0.218 88 L C 1.696 178.605 176.870 0.064 0.000 1.125 88 L CA 0.561 55.475 54.840 0.124 0.000 0.835 88 L CB -0.377 41.718 42.059 0.060 0.000 0.953 88 L HN 0.548 nan 8.230 nan 0.000 0.454 89 G N 0.111 108.908 108.800 -0.005 0.000 2.132 89 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.228 89 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.228 89 G C 0.212 175.142 174.900 0.050 0.000 1.000 89 G CA -0.053 45.026 45.100 -0.035 0.000 0.693 89 G HN 0.057 nan 8.290 nan 0.000 0.515 90 V N 0.523 120.471 119.914 0.056 0.000 2.617 90 V HA 0.220 4.340 4.120 -0.000 0.000 0.304 90 V C 0.951 177.123 176.094 0.130 0.000 1.040 90 V CA 0.788 63.078 62.300 -0.017 0.000 1.149 90 V CB 0.862 32.541 31.823 -0.240 0.000 0.914 90 V HN 0.430 nan 8.190 nan 0.000 0.487 91 K N 5.560 126.017 120.400 0.096 0.000 2.208 91 K HA 0.390 4.710 4.320 -0.000 0.000 0.247 91 K C -1.908 174.840 176.600 0.246 0.000 0.953 91 K CA -1.741 54.640 56.287 0.157 0.000 0.837 91 K CB 1.600 34.151 32.500 0.086 0.000 1.131 91 K HN 0.215 nan 8.250 nan 0.000 0.431 92 P HA -0.265 nan 4.420 nan 0.000 0.216 92 P C 0.794 178.247 177.300 0.255 0.000 1.153 92 P CA 1.312 64.555 63.100 0.238 0.000 0.858 92 P CB 0.201 31.964 31.700 0.104 0.000 0.789 93 E N 0.088 120.386 120.200 0.162 0.000 2.472 93 E HA -0.195 4.155 4.350 -0.000 0.000 0.200 93 E C 1.406 178.077 176.600 0.118 0.000 1.046 93 E CA 1.020 57.496 56.400 0.126 0.000 0.871 93 E CB -0.705 29.046 29.700 0.085 0.000 0.806 93 E HN 0.438 nan 8.360 nan 0.000 0.533 94 Q N -0.584 119.292 119.800 0.126 0.000 2.354 94 Q HA 0.021 4.360 4.340 -0.000 0.000 0.203 94 Q C 1.267 177.297 176.000 0.050 0.000 0.933 94 Q CA 0.391 56.219 55.803 0.042 0.000 0.901 94 Q CB -0.087 28.637 28.738 -0.022 0.000 1.007 94 Q HN 0.293 nan 8.270 nan 0.000 0.495 95 Y N 0.819 121.177 120.300 0.096 0.000 2.165 95 Y HA -0.174 4.376 4.550 -0.000 0.000 0.286 95 Y C -0.605 175.434 175.900 0.232 0.000 1.155 95 Y CA 1.388 59.591 58.100 0.173 0.000 1.164 95 Y CB -1.327 37.196 38.460 0.104 0.000 0.978 95 Y HN 0.186 nan 8.280 nan 0.000 0.513 96 P HA -0.167 nan 4.420 nan 0.000 0.217 96 P C 1.435 178.780 177.300 0.076 0.000 1.150 96 P CA 1.656 64.860 63.100 0.173 0.000 0.832 96 P CB -0.058 31.714 31.700 0.120 0.000 0.787 97 I N -1.304 119.299 120.570 0.056 0.000 2.179 97 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 97 I C 2.177 178.369 176.117 0.125 0.000 1.088 97 I CA 1.325 62.641 61.300 0.026 0.000 1.357 97 I CB -0.817 37.106 38.000 -0.128 0.000 1.051 97 I HN -0.179 nan 8.210 nan 0.000 0.409 98 V N 1.140 121.147 119.914 0.156 0.000 2.343 98 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 98 V C 2.614 178.697 176.094 -0.019 0.000 1.051 98 V CA 2.188 64.634 62.300 0.244 0.000 1.036 98 V CB -1.402 30.578 31.823 0.263 0.000 0.654 98 V HN 0.582 nan 8.190 nan 0.000 0.451 99 G N -0.672 107.985 108.800 -0.239 0.000 2.446 99 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.217 99 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.217 99 G C 1.532 176.173 174.900 -0.432 0.000 1.168 99 G CA 1.065 45.682 45.100 -0.805 0.000 0.771 99 G HN 0.576 nan 8.290 nan 0.000 0.551 100 E N -0.260 119.778 120.200 -0.269 0.000 2.058 100 E HA -0.214 4.135 4.350 -0.000 0.000 0.194 100 E C 2.233 178.639 176.600 -0.323 0.000 0.997 100 E CA 1.013 57.228 56.400 -0.309 0.000 0.801 100 E CB -0.185 29.280 29.700 -0.392 0.000 0.746 100 E HN 0.570 nan 8.360 nan 0.000 0.450 101 H N -0.223 118.847 119.070 -0.001 0.000 2.462 101 H HA -0.081 4.475 4.556 -0.000 0.000 0.292 101 H C 2.172 177.568 175.328 0.112 0.000 1.049 101 H CA 0.990 57.074 56.048 0.061 0.000 1.334 101 H CB -0.005 29.793 29.762 0.061 0.000 1.404 101 H HN 0.231 nan 8.280 nan 0.000 0.544 102 L N 0.805 122.059 121.223 0.052 0.000 2.072 102 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 102 L C 2.224 178.967 176.870 -0.211 0.000 1.079 102 L CA 1.193 55.877 54.840 -0.260 0.000 0.752 102 L CB -0.706 41.001 42.059 -0.586 0.000 0.906 102 L HN 0.088 nan 8.230 nan 0.000 0.436 103 L N -0.667 120.430 121.223 -0.211 0.000 2.093 103 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 103 L C 2.649 179.456 176.870 -0.105 0.000 1.085 103 L CA 1.052 55.801 54.840 -0.152 0.000 0.755 103 L CB -0.906 41.067 42.059 -0.143 0.000 0.904 103 L HN 0.361 nan 8.230 nan 0.000 0.435 104 A N 0.081 122.850 122.820 -0.085 0.000 1.933 104 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 104 A C 2.525 180.080 177.584 -0.047 0.000 1.175 104 A CA 1.693 53.699 52.037 -0.052 0.000 0.628 104 A CB -0.602 18.384 19.000 -0.024 0.000 0.814 104 A HN 0.395 nan 8.150 nan 0.000 0.444 105 A N -0.032 122.764 122.820 -0.040 0.000 1.898 105 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 105 A C 2.105 179.623 177.584 -0.110 0.000 1.181 105 A CA 1.383 53.385 52.037 -0.058 0.000 0.620 105 A CB -0.581 18.402 19.000 -0.028 0.000 0.819 105 A HN 0.483 nan 8.150 nan 0.000 0.442 106 I N -0.448 120.037 120.570 -0.142 0.000 2.163 106 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 106 I C 2.578 178.606 176.117 -0.149 0.000 1.085 106 I CA 1.960 63.154 61.300 -0.177 0.000 1.347 106 I CB -0.277 37.599 38.000 -0.207 0.000 1.044 106 I HN 0.380 nan 8.210 nan 0.000 0.408 107 K N 1.026 121.360 120.400 -0.110 0.000 2.026 107 K HA -0.271 4.049 4.320 -0.000 0.000 0.208 107 K C 2.131 178.677 176.600 -0.090 0.000 1.048 107 K CA 1.926 58.160 56.287 -0.088 0.000 0.929 107 K CB -0.090 32.373 32.500 -0.062 0.000 0.713 107 K HN 0.307 nan 8.250 nan 0.000 0.439 108 E N -0.053 120.097 120.200 -0.083 0.000 2.072 108 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 108 E C 1.793 178.333 176.600 -0.100 0.000 0.985 108 E CA 1.239 57.594 56.400 -0.076 0.000 0.801 108 E CB 0.173 29.838 29.700 -0.059 0.000 0.750 108 E HN 0.138 nan 8.360 nan 0.000 0.452 109 V N 0.702 120.538 119.914 -0.129 0.000 2.379 109 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 109 V C 2.276 178.207 176.094 -0.272 0.000 1.044 109 V CA 1.052 63.250 62.300 -0.171 0.000 1.036 109 V CB -0.298 31.424 31.823 -0.169 0.000 0.664 109 V HN 0.274 nan 8.190 nan 0.000 0.453 110 L N 0.313 121.366 121.223 -0.283 0.000 2.217 110 L HA 0.195 4.535 4.340 -0.000 0.000 0.211 110 L C 1.982 178.736 176.870 -0.194 0.000 1.107 110 L CA 1.697 56.345 54.840 -0.321 0.000 0.783 110 L CB -1.304 40.611 42.059 -0.239 0.000 0.919 110 L HN 0.455 nan 8.230 nan 0.000 0.442 111 G N 0.171 108.888 108.800 -0.138 0.000 2.699 111 G HA2 -0.569 3.391 3.960 -0.000 0.000 0.351 111 G HA3 -0.569 3.391 3.960 -0.000 0.000 0.351 111 G C 1.432 176.292 174.900 -0.067 0.000 1.191 111 G CA 0.896 45.943 45.100 -0.089 0.000 0.953 111 G HN 0.405 nan 8.290 nan 0.000 0.557 112 N N 2.141 120.808 118.700 -0.055 0.000 2.104 112 N HA -0.059 4.681 4.740 -0.000 0.000 0.190 112 N C 2.505 177.997 175.510 -0.030 0.000 1.024 112 N CA 2.596 55.625 53.050 -0.034 0.000 0.853 112 N CB -0.514 37.959 38.487 -0.023 0.000 1.008 112 N HN 0.881 nan 8.380 nan 0.000 0.424 113 A N 0.309 123.104 122.820 -0.042 0.000 2.119 113 A HA 0.258 4.578 4.320 -0.000 0.000 0.217 113 A C 1.289 178.859 177.584 -0.024 0.000 1.153 113 A CA 0.840 52.862 52.037 -0.026 0.000 0.692 113 A CB -0.385 18.600 19.000 -0.025 0.000 0.799 113 A HN 0.398 nan 8.150 nan 0.000 0.458 114 A N 1.660 124.454 122.820 -0.044 0.000 2.915 114 A HA 0.478 4.798 4.320 -0.000 0.000 0.292 114 A C 0.872 178.452 177.584 -0.006 0.000 1.632 114 A CA 0.256 52.275 52.037 -0.030 0.000 1.337 114 A CB -1.309 17.654 19.000 -0.060 0.000 1.111 114 A HN 0.560 nan 8.150 nan 0.000 0.569 115 T N -1.089 113.473 114.554 0.014 0.000 2.813 115 T HA 0.158 4.508 4.350 -0.000 0.000 0.297 115 T C 0.575 175.290 174.700 0.026 0.000 1.036 115 T CA 0.032 62.143 62.100 0.018 0.000 1.044 115 T CB 0.593 69.475 68.868 0.024 0.000 0.993 115 T HN 0.402 nan 8.240 nan 0.000 0.535 116 D N 0.717 121.129 120.400 0.020 0.000 2.133 116 D HA -0.088 4.552 4.640 -0.000 0.000 0.195 116 D C 1.668 177.988 176.300 0.033 0.000 0.997 116 D CA 1.433 55.445 54.000 0.021 0.000 0.840 116 D CB -0.423 40.385 40.800 0.013 0.000 0.947 116 D HN 0.668 nan 8.370 nan 0.000 0.452 117 D N -0.197 120.223 120.400 0.034 0.000 2.144 117 D HA -0.071 4.569 4.640 -0.000 0.000 0.199 117 D C 2.178 178.517 176.300 0.066 0.000 0.984 117 D CA 0.431 54.453 54.000 0.037 0.000 0.834 117 D CB -0.136 40.680 40.800 0.027 0.000 0.955 117 D HN 0.258 nan 8.370 nan 0.000 0.465 118 I N 0.356 120.983 120.570 0.095 0.000 2.202 118 I HA -0.196 3.974 4.170 -0.000 0.000 0.242 118 I C 2.002 178.271 176.117 0.253 0.000 1.091 118 I CA 0.503 61.916 61.300 0.188 0.000 1.368 118 I CB -0.055 38.042 38.000 0.162 0.000 1.058 118 I HN 0.018 nan 8.210 nan 0.000 0.410 119 I N 0.469 121.124 120.570 0.143 0.000 2.226 119 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 119 I C 2.665 178.861 176.117 0.131 0.000 1.100 119 I CA 1.541 62.916 61.300 0.125 0.000 1.374 119 I CB -1.168 36.861 38.000 0.048 0.000 1.057 119 I HN 0.161 nan 8.210 nan 0.000 0.413 120 S N 0.961 116.712 115.700 0.086 0.000 2.382 120 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 120 S C 2.234 176.865 174.600 0.051 0.000 1.027 120 S CA 1.210 59.446 58.200 0.059 0.000 0.991 120 S CB -0.237 62.982 63.200 0.032 0.000 0.823 120 S HN 0.544 nan 8.310 nan 0.000 0.469 121 A N 0.606 123.451 122.820 0.041 0.000 1.877 121 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 121 A C 1.799 179.306 177.584 -0.128 0.000 1.186 121 A CA 1.306 53.299 52.037 -0.073 0.000 0.620 121 A CB -0.995 17.925 19.000 -0.133 0.000 0.822 121 A HN 0.672 nan 8.150 nan 0.000 0.443 122 W N -0.464 120.859 121.300 0.038 0.000 2.467 122 W HA 0.172 4.832 4.660 -0.000 0.000 0.275 122 W C 2.637 179.196 176.519 0.066 0.000 1.239 122 W CA 0.874 58.252 57.345 0.055 0.000 1.266 122 W CB -0.100 29.375 29.460 0.025 0.000 1.112 122 W HN 0.386 nan 8.180 nan 0.000 0.576 123 A N -0.008 122.940 122.820 0.213 0.000 1.930 123 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 123 A C 1.882 179.557 177.584 0.152 0.000 1.175 123 A CA 1.494 53.624 52.037 0.156 0.000 0.627 123 A CB -0.582 18.470 19.000 0.086 0.000 0.815 123 A HN 0.396 nan 8.150 nan 0.000 0.443 124 Q N -0.709 119.142 119.800 0.086 0.000 2.123 124 Q HA -0.011 4.329 4.340 -0.000 0.000 0.199 124 Q C 2.439 178.466 176.000 0.046 0.000 0.966 124 Q CA 1.041 56.874 55.803 0.049 0.000 0.845 124 Q CB -0.341 28.399 28.738 0.003 0.000 0.907 124 Q HN 0.670 nan 8.270 nan 0.000 0.439 125 A N 0.573 123.415 122.820 0.036 0.000 1.883 125 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 125 A C 1.917 179.523 177.584 0.037 0.000 1.186 125 A CA 1.476 53.533 52.037 0.034 0.000 0.624 125 A CB -0.964 18.033 19.000 -0.005 0.000 0.822 125 A HN 0.495 nan 8.150 nan 0.000 0.444 126 Y N 0.748 121.062 120.300 0.024 0.000 2.128 126 Y HA -0.124 4.426 4.550 -0.000 0.000 0.284 126 Y C 2.500 178.412 175.900 0.020 0.000 1.154 126 Y CA 1.744 59.856 58.100 0.020 0.000 1.149 126 Y CB -0.762 37.725 38.460 0.045 0.000 0.976 126 Y HN 0.237 nan 8.280 nan 0.000 0.505 127 G N -0.084 108.786 108.800 0.116 0.000 2.432 127 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.219 127 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.219 127 G C 1.605 176.461 174.900 -0.074 0.000 1.135 127 G CA 0.943 46.065 45.100 0.036 0.000 0.767 127 G HN 0.547 nan 8.290 nan 0.000 0.550 128 N N 0.110 118.771 118.700 -0.064 0.000 2.135 128 N HA 0.003 4.743 4.740 -0.000 0.000 0.186 128 N C 2.312 177.749 175.510 -0.122 0.000 1.027 128 N CA 0.564 53.571 53.050 -0.072 0.000 0.849 128 N CB -0.115 38.353 38.487 -0.031 0.000 1.002 128 N HN 0.299 nan 8.380 nan 0.000 0.425 129 L N 0.906 122.029 121.223 -0.166 0.000 2.083 129 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 129 L C 2.698 179.423 176.870 -0.241 0.000 1.083 129 L CA 1.055 55.774 54.840 -0.201 0.000 0.752 129 L CB -0.496 41.401 42.059 -0.270 0.000 0.899 129 L HN 0.215 nan 8.230 nan 0.000 0.433 130 A N 0.050 122.663 122.820 -0.345 0.000 1.902 130 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 130 A C 1.987 179.293 177.584 -0.464 0.000 1.181 130 A CA 2.112 53.886 52.037 -0.438 0.000 0.623 130 A CB -0.601 18.161 19.000 -0.397 0.000 0.818 130 A HN 0.430 nan 8.150 nan 0.000 0.443 131 D N -0.312 119.917 120.400 -0.284 0.000 2.084 131 D HA -0.127 4.513 4.640 -0.000 0.000 0.194 131 D C 1.877 178.060 176.300 -0.195 0.000 0.990 131 D CA 1.729 55.600 54.000 -0.215 0.000 0.826 131 D CB -0.233 40.488 40.800 -0.132 0.000 0.971 131 D HN 0.146 nan 8.370 nan 0.000 0.453 132 V N 0.610 120.427 119.914 -0.161 0.000 2.295 132 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 132 V C 2.778 178.787 176.094 -0.143 0.000 1.049 132 V CA 1.413 63.638 62.300 -0.126 0.000 1.024 132 V CB -0.586 31.179 31.823 -0.096 0.000 0.648 132 V HN 0.292 nan 8.190 nan 0.000 0.447 133 L N -1.262 119.861 121.223 -0.167 0.000 2.046 133 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 133 L C 2.584 179.356 176.870 -0.163 0.000 1.077 133 L CA 1.748 56.511 54.840 -0.129 0.000 0.747 133 L CB -0.466 41.584 42.059 -0.015 0.000 0.896 133 L HN 0.308 nan 8.230 nan 0.000 0.432 134 M N -0.621 118.788 119.600 -0.317 0.000 2.108 134 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 134 M C 2.278 178.489 176.300 -0.148 0.000 1.066 134 M CA 1.981 57.117 55.300 -0.274 0.000 1.107 134 M CB -0.827 31.550 32.600 -0.372 0.000 1.356 134 M HN 0.389 nan 8.290 nan 0.000 0.406 135 G N -0.071 108.645 108.800 -0.139 0.000 2.404 135 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 135 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 135 G C 1.481 176.324 174.900 -0.095 0.000 1.174 135 G CA 0.561 45.604 45.100 -0.095 0.000 0.780 135 G HN 0.342 nan 8.290 nan 0.000 0.537 136 M N 0.098 119.632 119.600 -0.111 0.000 2.117 136 M HA -0.028 4.452 4.480 -0.000 0.000 0.262 136 M C 2.486 178.681 176.300 -0.175 0.000 1.065 136 M CA 1.457 56.686 55.300 -0.118 0.000 1.114 136 M CB -0.288 32.243 32.600 -0.114 0.000 1.361 136 M HN 0.243 nan 8.290 nan 0.000 0.408 137 E N -0.380 119.689 120.200 -0.218 0.000 2.106 137 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 137 E C 2.121 178.433 176.600 -0.479 0.000 0.984 137 E CA 1.331 57.479 56.400 -0.420 0.000 0.806 137 E CB -0.072 29.436 29.700 -0.320 0.000 0.750 137 E HN 0.317 nan 8.360 nan 0.000 0.458 138 S N 0.347 115.943 115.700 -0.174 0.000 2.368 138 S HA -0.208 4.262 4.470 -0.000 0.000 0.225 138 S C 1.753 176.352 174.600 -0.002 0.000 1.030 138 S CA 1.281 59.481 58.200 0.000 0.000 0.999 138 S CB -0.089 63.121 63.200 0.017 0.000 0.844 138 S HN 0.236 nan 8.310 nan 0.000 0.459 139 E N 0.469 120.637 120.200 -0.053 0.000 2.106 139 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 139 E C 2.126 178.715 176.600 -0.017 0.000 0.984 139 E CA 1.138 57.524 56.400 -0.024 0.000 0.806 139 E CB -0.219 29.459 29.700 -0.036 0.000 0.750 139 E HN 0.473 nan 8.360 nan 0.000 0.458 140 L N -0.048 121.119 121.223 -0.094 0.000 2.017 140 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 140 L C 2.345 179.275 176.870 0.099 0.000 1.073 140 L CA 1.392 56.207 54.840 -0.041 0.000 0.745 140 L CB -0.550 41.364 42.059 -0.242 0.000 0.894 140 L HN 0.235 nan 8.230 nan 0.000 0.432 141 Y N 0.190 120.504 120.300 0.023 0.000 2.128 141 Y HA -0.293 4.257 4.550 -0.000 0.000 0.284 141 Y C 2.690 178.605 175.900 0.025 0.000 1.154 141 Y CA 0.995 59.112 58.100 0.028 0.000 1.149 141 Y CB -0.146 38.308 38.460 -0.011 0.000 0.976 141 Y HN 0.216 nan 8.280 nan 0.000 0.505 142 E N 0.105 120.419 120.200 0.189 0.000 2.058 142 E HA -0.262 4.087 4.350 -0.000 0.000 0.194 142 E C 2.265 178.909 176.600 0.074 0.000 0.997 142 E CA 1.105 57.568 56.400 0.105 0.000 0.801 142 E CB -0.200 29.543 29.700 0.073 0.000 0.746 142 E HN 0.325 nan 8.360 nan 0.000 0.450 143 R N 0.666 121.204 120.500 0.064 0.000 2.073 143 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 143 R C 2.322 178.634 176.300 0.020 0.000 1.134 143 R CA 1.779 57.901 56.100 0.036 0.000 0.952 143 R CB -0.136 30.181 30.300 0.028 0.000 0.850 143 R HN 0.014 nan 8.270 nan 0.000 0.433 144 S N 0.689 116.405 115.700 0.027 0.000 2.359 144 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 144 S C 2.047 176.628 174.600 -0.031 0.000 1.035 144 S CA 1.290 59.453 58.200 -0.062 0.000 1.018 144 S CB -0.332 62.802 63.200 -0.109 0.000 0.876 144 S HN 0.591 nan 8.310 nan 0.000 0.448 145 A N 1.940 124.776 122.820 0.027 0.000 1.978 145 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 145 A C 1.919 179.539 177.584 0.060 0.000 1.170 145 A CA 1.722 53.794 52.037 0.057 0.000 0.636 145 A CB -0.536 18.504 19.000 0.067 0.000 0.810 145 A HN 0.786 nan 8.150 nan 0.000 0.448 146 E N -0.701 119.525 120.200 0.043 0.000 2.479 146 E HA 0.070 4.420 4.350 -0.000 0.000 0.193 146 E C -0.116 176.503 176.600 0.033 0.000 1.049 146 E CA -0.372 56.051 56.400 0.039 0.000 0.870 146 E CB -0.002 29.717 29.700 0.032 0.000 0.944 146 E HN 0.435 nan 8.360 nan 0.000 0.492 147 Q N 2.626 122.442 119.800 0.027 0.000 2.340 147 Q HA 0.207 4.547 4.340 -0.000 0.000 0.249 147 Q C -2.098 173.933 176.000 0.050 0.000 0.957 147 Q CA -2.463 53.353 55.803 0.022 0.000 0.882 147 Q CB 0.641 29.377 28.738 -0.004 0.000 1.235 147 Q HN 0.161 nan 8.270 nan 0.000 0.439 148 P HA -0.005 nan 4.420 nan 0.000 0.266 148 P C 0.410 177.767 177.300 0.096 0.000 1.215 148 P CA 0.686 63.822 63.100 0.059 0.000 0.763 148 P CB 0.407 32.130 31.700 0.038 0.000 0.806 149 G N 2.223 111.101 108.800 0.129 0.000 2.179 149 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.260 149 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.260 149 G C 0.483 175.601 174.900 0.363 0.000 0.977 149 G CA -0.116 45.106 45.100 0.203 0.000 0.641 149 G HN 0.892 nan 8.290 nan 0.000 0.533 150 G N -0.850 108.107 108.800 0.263 0.000 2.547 150 G HA2 0.737 4.697 3.960 -0.000 0.000 0.291 150 G HA3 0.737 4.697 3.960 -0.000 0.000 0.291 150 G C -0.222 174.914 174.900 0.393 0.000 1.211 150 G CA -0.125 45.108 45.100 0.221 0.000 0.950 150 G HN 1.614 nan 8.290 nan 0.000 0.504 151 W N -1.169 120.175 121.300 0.073 0.000 2.989 151 W HA 0.706 5.366 4.660 -0.000 0.000 0.344 151 W C -1.289 175.264 176.519 0.057 0.000 1.233 151 W CA -1.233 56.152 57.345 0.067 0.000 1.187 151 W CB 1.026 30.540 29.460 0.090 0.000 1.443 151 W HN 0.514 nan 8.180 nan 0.000 0.573 152 K N 1.704 122.227 120.400 0.203 0.000 2.208 152 K HA 0.679 4.999 4.320 -0.000 0.000 0.247 152 K C 0.429 177.102 176.600 0.122 0.000 0.953 152 K CA -0.147 56.155 56.287 0.025 0.000 0.837 152 K CB 1.638 34.109 32.500 -0.048 0.000 1.131 152 K HN 1.139 nan 8.250 nan 0.000 0.431 153 G N 1.208 109.943 108.800 -0.108 0.000 2.598 153 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.244 153 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.244 153 G C -1.254 173.613 174.900 -0.055 0.000 1.302 153 G CA -0.416 44.561 45.100 -0.204 0.000 0.903 153 G HN 0.592 nan 8.290 nan 0.000 0.575 154 W N 0.244 121.718 121.300 0.291 0.000 2.381 154 W HA 0.731 5.391 4.660 -0.000 0.000 0.329 154 W C 0.876 177.492 176.519 0.162 0.000 1.157 154 W CA -0.589 56.933 57.345 0.294 0.000 1.240 154 W CB 1.091 30.653 29.460 0.170 0.000 1.199 154 W HN 0.630 nan 8.180 nan 0.000 0.579 155 R N 1.120 121.799 120.500 0.298 0.000 2.561 155 R HA 0.419 4.759 4.340 -0.000 0.000 0.297 155 R C -0.723 175.666 176.300 0.148 0.000 0.969 155 R CA -0.518 55.502 56.100 -0.134 0.000 0.879 155 R CB 1.369 31.022 30.300 -1.078 0.000 1.178 155 R HN 0.415 nan 8.270 nan 0.000 0.445 156 T N 4.615 119.191 114.554 0.037 0.000 2.851 156 T HA 0.307 4.657 4.350 -0.000 0.000 0.298 156 T C -0.788 173.931 174.700 0.032 0.000 0.977 156 T CA 0.422 62.576 62.100 0.090 0.000 1.126 156 T CB 0.098 68.970 68.868 0.007 0.000 0.916 156 T HN 0.242 nan 8.240 nan 0.000 0.529 157 F N 1.537 121.472 119.950 -0.024 0.000 2.579 157 F HA 0.652 5.179 4.527 -0.000 0.000 0.324 157 F C -0.115 175.689 175.800 0.007 0.000 1.058 157 F CA -1.133 56.864 58.000 -0.006 0.000 0.944 157 F CB 1.669 40.697 39.000 0.047 0.000 1.245 157 F HN 0.180 nan 8.300 nan 0.000 0.477 158 V N 3.611 123.624 119.914 0.164 0.000 2.555 158 V HA 0.372 4.492 4.120 -0.000 0.000 0.302 158 V C -0.237 175.944 176.094 0.144 0.000 1.038 158 V CA -0.917 61.448 62.300 0.109 0.000 0.887 158 V CB 1.894 33.740 31.823 0.038 0.000 0.991 158 V HN 0.372 nan 8.190 nan 0.000 0.434 159 I N 5.261 125.910 120.570 0.132 0.000 2.494 159 I HA 0.248 4.418 4.170 -0.000 0.000 0.289 159 I C 1.328 177.509 176.117 0.106 0.000 1.106 159 I CA 0.211 61.603 61.300 0.152 0.000 1.369 159 I CB 0.573 38.678 38.000 0.175 0.000 1.410 159 I HN 0.669 nan 8.210 nan 0.000 0.523 160 R N 4.023 124.583 120.500 0.101 0.000 2.112 160 R HA 0.152 4.492 4.340 -0.000 0.000 0.216 160 R C 0.566 176.890 176.300 0.040 0.000 1.080 160 R CA 0.524 56.661 56.100 0.062 0.000 0.996 160 R CB 0.272 30.607 30.300 0.059 0.000 0.902 160 R HN 0.652 nan 8.270 nan 0.000 0.449 161 E N 0.407 120.632 120.200 0.041 0.000 2.331 161 E HA 0.267 4.616 4.350 -0.000 0.000 0.275 161 E C -1.472 175.087 176.600 -0.069 0.000 0.895 161 E CA -0.511 55.883 56.400 -0.009 0.000 0.753 161 E CB 1.926 31.621 29.700 -0.008 0.000 1.216 161 E HN -0.199 nan 8.360 nan 0.000 0.434 162 K N 3.929 124.237 120.400 -0.153 0.000 2.604 162 K HA 0.330 4.650 4.320 -0.000 0.000 0.247 162 K C -1.340 175.070 176.600 -0.317 0.000 0.956 162 K CA -0.636 55.433 56.287 -0.364 0.000 0.896 162 K CB 1.175 33.478 32.500 -0.327 0.000 1.131 162 K HN 0.482 nan 8.250 nan 0.000 0.440 163 R N 5.152 125.445 120.500 -0.345 0.000 2.451 163 R HA 0.425 4.764 4.340 -0.000 0.000 0.307 163 R C -2.774 173.388 176.300 -0.229 0.000 0.965 163 R CA -1.739 54.225 56.100 -0.227 0.000 0.865 163 R CB 1.487 31.704 30.300 -0.138 0.000 1.174 163 R HN 0.312 nan 8.270 nan 0.000 0.455 164 P HA 0.074 nan 4.420 nan 0.000 0.271 164 P C -0.563 176.691 177.300 -0.077 0.000 1.216 164 P CA 0.013 63.033 63.100 -0.134 0.000 0.776 164 P CB 0.944 32.588 31.700 -0.094 0.000 0.881 165 E N 0.356 120.530 120.200 -0.043 0.000 2.490 165 E HA 0.109 4.459 4.350 -0.000 0.000 0.209 165 E C 0.348 176.949 176.600 0.001 0.000 0.971 165 E CA 0.186 56.576 56.400 -0.017 0.000 0.988 165 E CB 0.508 30.206 29.700 -0.004 0.000 1.029 165 E HN 0.563 nan 8.360 nan 0.000 0.496 166 S N 0.038 115.745 115.700 0.012 0.000 2.694 166 S HA 0.029 4.499 4.470 -0.000 0.000 0.273 166 S C -0.016 174.602 174.600 0.029 0.000 1.180 166 S CA -0.411 57.801 58.200 0.019 0.000 0.864 166 S CB 0.760 63.977 63.200 0.028 0.000 1.198 166 S HN -0.011 nan 8.310 nan 0.000 0.499 167 D N 0.584 121.000 120.400 0.026 0.000 2.264 167 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 167 D C 1.606 177.937 176.300 0.051 0.000 0.966 167 D CA 1.727 55.745 54.000 0.029 0.000 0.864 167 D CB -0.560 40.248 40.800 0.013 0.000 0.933 167 D HN 0.883 nan 8.370 nan 0.000 0.499 168 V N -3.012 116.941 119.914 0.064 0.000 3.548 168 V HA 0.384 4.503 4.120 -0.000 0.000 0.279 168 V C 0.769 176.973 176.094 0.182 0.000 1.446 168 V CA -0.565 61.779 62.300 0.074 0.000 1.023 168 V CB -0.063 31.770 31.823 0.018 0.000 0.820 168 V HN -0.016 nan 8.190 nan 0.000 0.438 169 I N 1.553 122.229 120.570 0.177 0.000 2.378 169 I HA 0.599 4.769 4.170 -0.000 0.000 0.291 169 I C -0.334 175.854 176.117 0.118 0.000 0.992 169 I CA -0.095 61.323 61.300 0.197 0.000 1.154 169 I CB 1.990 40.060 38.000 0.117 0.000 1.315 169 I HN 0.028 nan 8.210 nan 0.000 0.448 170 T N 3.757 118.347 114.554 0.061 0.000 2.861 170 T HA 0.279 4.629 4.350 -0.000 0.000 0.287 170 T C -0.429 174.158 174.700 -0.189 0.000 1.003 170 T CA -0.515 61.447 62.100 -0.230 0.000 0.977 170 T CB 1.858 70.325 68.868 -0.667 0.000 0.996 170 T HN 0.536 nan 8.240 nan 0.000 0.448 171 S N 1.922 117.457 115.700 -0.275 0.000 2.508 171 S HA 0.759 5.229 4.470 -0.000 0.000 0.284 171 S C -1.340 173.052 174.600 -0.347 0.000 1.192 171 S CA -0.612 57.504 58.200 -0.141 0.000 1.070 171 S CB -0.004 63.158 63.200 -0.064 0.000 1.004 171 S HN 0.431 nan 8.310 nan 0.000 0.493 172 F N 3.801 123.726 119.950 -0.043 0.000 2.529 172 F HA 0.575 5.102 4.527 -0.000 0.000 0.320 172 F C -0.427 175.385 175.800 0.020 0.000 1.118 172 F CA -0.931 57.052 58.000 -0.028 0.000 0.915 172 F CB 1.307 40.274 39.000 -0.054 0.000 1.161 172 F HN 0.314 nan 8.300 nan 0.000 0.445 173 I N 4.507 125.188 120.570 0.186 0.000 2.336 173 I HA 0.433 4.603 4.170 -0.000 0.000 0.292 173 I C -0.739 175.498 176.117 0.199 0.000 0.991 173 I CA -0.467 60.934 61.300 0.168 0.000 1.227 173 I CB 1.151 39.217 38.000 0.110 0.000 1.366 173 I HN 0.331 nan 8.210 nan 0.000 0.466 174 L N 6.572 127.939 121.223 0.240 0.000 2.346 174 L HA 0.611 4.951 4.340 -0.000 0.000 0.276 174 L C -0.188 176.914 176.870 0.387 0.000 1.006 174 L CA -0.395 54.634 54.840 0.315 0.000 0.817 174 L CB 1.429 43.681 42.059 0.322 0.000 1.272 174 L HN 0.496 nan 8.230 nan 0.000 0.421 175 E N 3.465 123.848 120.200 0.307 0.000 2.288 175 E HA 0.424 4.774 4.350 -0.000 0.000 0.268 175 E C -2.570 173.913 176.600 -0.195 0.000 0.885 175 E CA -2.030 54.427 56.400 0.094 0.000 0.767 175 E CB 2.350 32.056 29.700 0.009 0.000 1.220 175 E HN 0.298 nan 8.360 nan 0.000 0.427 176 P HA -0.041 nan 4.420 nan 0.000 0.268 176 P C -0.033 176.984 177.300 -0.472 0.000 1.204 176 P CA 0.241 62.714 63.100 -1.046 0.000 0.768 176 P CB 1.255 32.385 31.700 -0.950 0.000 0.842 177 A N 3.931 126.522 122.820 -0.381 0.000 1.972 177 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 177 A C 1.550 179.028 177.584 -0.176 0.000 1.169 177 A CA 1.957 53.876 52.037 -0.198 0.000 0.635 177 A CB -1.192 17.727 19.000 -0.134 0.000 0.810 177 A HN 0.612 nan 8.150 nan 0.000 0.446 178 D N -1.614 118.655 120.400 -0.218 0.000 2.363 178 D HA 0.197 4.837 4.640 -0.000 0.000 0.226 178 D C 1.254 177.471 176.300 -0.140 0.000 1.020 178 D CA 0.960 54.865 54.000 -0.158 0.000 0.892 178 D CB -0.885 39.821 40.800 -0.156 0.000 0.900 178 D HN 0.751 nan 8.370 nan 0.000 0.531 179 G N -0.604 108.096 108.800 -0.166 0.000 2.175 179 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.265 179 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.265 179 G C 0.672 175.506 174.900 -0.111 0.000 0.979 179 G CA 0.473 45.497 45.100 -0.126 0.000 0.663 179 G HN 0.828 nan 8.290 nan 0.000 0.533 180 G N -0.197 108.526 108.800 -0.128 0.000 2.588 180 G HA2 0.636 4.596 3.960 -0.000 0.000 0.281 180 G HA3 0.636 4.596 3.960 -0.000 0.000 0.281 180 G C -1.838 173.015 174.900 -0.078 0.000 1.236 180 G CA -0.681 44.368 45.100 -0.085 0.000 0.969 180 G HN 0.274 nan 8.290 nan 0.000 0.504 181 P HA 0.324 nan 4.420 nan 0.000 0.272 181 P C -0.332 176.991 177.300 0.039 0.000 1.240 181 P CA -0.360 62.737 63.100 -0.004 0.000 0.791 181 P CB 1.202 32.914 31.700 0.020 0.000 0.978 182 V N -0.477 119.473 119.914 0.060 0.000 2.680 182 V HA 0.490 4.610 4.120 -0.000 0.000 0.309 182 V C -0.064 176.182 176.094 0.253 0.000 1.052 182 V CA -1.112 61.307 62.300 0.199 0.000 0.908 182 V CB 1.670 33.493 31.823 -0.001 0.000 1.001 182 V HN 0.382 nan 8.190 nan 0.000 0.431 183 V N 4.472 124.625 119.914 0.398 0.000 2.872 183 V HA 0.200 4.320 4.120 -0.000 0.000 0.307 183 V C 0.827 177.098 176.094 0.295 0.000 1.072 183 V CA 0.291 62.744 62.300 0.255 0.000 1.148 183 V CB 0.421 32.328 31.823 0.140 0.000 0.954 183 V HN 1.130 nan 8.190 nan 0.000 0.490 184 N N 3.991 122.774 118.700 0.139 0.000 2.354 184 N HA 0.483 5.223 4.740 -0.000 0.000 0.246 184 N C -0.946 174.623 175.510 0.099 0.000 1.285 184 N CA 0.174 53.263 53.050 0.065 0.000 0.925 184 N CB 0.608 39.051 38.487 -0.073 0.000 1.174 184 N HN 0.651 nan 8.380 nan 0.000 0.478 185 F N -1.997 117.953 119.950 -0.000 0.000 2.664 185 F HA 0.543 5.070 4.527 -0.000 0.000 0.317 185 F C -1.150 174.577 175.800 -0.123 0.000 1.108 185 F CA -1.200 56.742 58.000 -0.098 0.000 0.957 185 F CB 1.082 40.030 39.000 -0.087 0.000 1.365 185 F HN 0.145 nan 8.300 nan 0.000 0.475 186 E N 1.416 121.631 120.200 0.026 0.000 2.166 186 E HA 0.352 4.702 4.350 -0.000 0.000 0.275 186 E C -2.799 173.894 176.600 0.154 0.000 0.941 186 E CA -2.060 54.268 56.400 -0.120 0.000 0.784 186 E CB 1.505 30.905 29.700 -0.500 0.000 1.115 186 E HN 0.327 nan 8.360 nan 0.000 0.399 187 P HA -0.016 nan 4.420 nan 0.000 0.261 187 P C 0.717 178.029 177.300 0.021 0.000 1.183 187 P CA 1.129 64.381 63.100 0.252 0.000 0.761 187 P CB 0.388 32.209 31.700 0.202 0.000 0.785 188 G N 1.842 110.631 108.800 -0.017 0.000 2.316 188 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.203 188 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.203 188 G C 0.142 175.096 174.900 0.091 0.000 0.999 188 G CA -0.471 44.436 45.100 -0.322 0.000 0.649 188 G HN 0.523 nan 8.290 nan 0.000 0.489 189 Q N -0.157 119.700 119.800 0.096 0.000 2.318 189 Q HA 0.609 4.949 4.340 -0.000 0.000 0.222 189 Q C -0.068 175.914 176.000 -0.030 0.000 1.003 189 Q CA -0.161 55.630 55.803 -0.020 0.000 0.936 189 Q CB 0.806 29.488 28.738 -0.094 0.000 1.204 189 Q HN 0.728 nan 8.270 nan 0.000 0.524 190 Y N -3.010 117.283 120.300 -0.012 0.000 2.638 190 Y HA 0.748 5.298 4.550 -0.000 0.000 0.339 190 Y C -0.526 175.324 175.900 -0.084 0.000 1.084 190 Y CA -1.199 56.874 58.100 -0.045 0.000 1.068 190 Y CB 1.355 39.829 38.460 0.024 0.000 1.294 190 Y HN 0.514 nan 8.280 nan 0.000 0.480 191 T N -0.025 114.621 114.554 0.153 0.000 2.926 191 T HA 0.709 5.059 4.350 -0.000 0.000 0.289 191 T C -1.095 173.773 174.700 0.279 0.000 1.054 191 T CA -0.599 61.562 62.100 0.102 0.000 1.015 191 T CB 1.236 70.051 68.868 -0.088 0.000 1.167 191 T HN 0.744 nan 8.240 nan 0.000 0.526 192 S N 1.030 116.920 115.700 0.315 0.000 2.482 192 S HA 0.668 5.138 4.470 -0.000 0.000 0.303 192 S C -0.897 173.931 174.600 0.379 0.000 1.091 192 S CA -0.593 57.816 58.200 0.349 0.000 1.057 192 S CB 1.530 64.992 63.200 0.437 0.000 1.031 192 S HN 0.590 nan 8.310 nan 0.000 0.485 193 V N 2.676 122.755 119.914 0.274 0.000 2.398 193 V HA 0.714 4.834 4.120 -0.000 0.000 0.286 193 V C 0.107 176.193 176.094 -0.013 0.000 1.026 193 V CA -0.626 61.760 62.300 0.144 0.000 0.868 193 V CB 1.188 33.092 31.823 0.135 0.000 0.982 193 V HN 0.963 nan 8.190 nan 0.000 0.443 194 A N 6.529 129.182 122.820 -0.278 0.000 2.288 194 A HA 0.901 5.221 4.320 -0.000 0.000 0.320 194 A C -0.760 176.621 177.584 -0.340 0.000 1.217 194 A CA -0.455 51.267 52.037 -0.524 0.000 0.840 194 A CB 0.735 18.884 19.000 -1.418 0.000 1.179 194 A HN 0.880 nan 8.150 nan 0.000 0.504 195 I N 1.308 121.744 120.570 -0.223 0.000 2.841 195 I HA 0.318 4.488 4.170 -0.000 0.000 0.298 195 I C -1.552 174.485 176.117 -0.133 0.000 1.304 195 I CA -0.795 60.413 61.300 -0.154 0.000 1.019 195 I CB 2.184 40.130 38.000 -0.092 0.000 1.282 195 I HN 0.542 nan 8.210 nan 0.000 0.432 196 D N 5.639 125.969 120.400 -0.116 0.000 2.351 196 D HA 0.278 4.918 4.640 -0.000 0.000 0.251 196 D C -0.561 175.681 176.300 -0.097 0.000 1.137 196 D CA 0.160 54.094 54.000 -0.110 0.000 0.879 196 D CB 1.956 42.697 40.800 -0.097 0.000 1.181 196 D HN 0.114 nan 8.370 nan 0.000 0.448 197 V N 5.736 125.577 119.914 -0.123 0.000 2.294 197 V HA 0.124 4.244 4.120 -0.000 0.000 0.272 197 V C -1.478 174.535 176.094 -0.135 0.000 1.027 197 V CA -1.355 60.869 62.300 -0.126 0.000 0.823 197 V CB 1.526 33.221 31.823 -0.212 0.000 1.030 197 V HN 0.364 nan 8.190 nan 0.000 0.457 198 P HA -0.210 nan 4.420 nan 0.000 0.216 198 P C 1.640 178.885 177.300 -0.091 0.000 1.153 198 P CA 1.841 64.883 63.100 -0.096 0.000 0.858 198 P CB 0.297 31.937 31.700 -0.100 0.000 0.789 199 A N -1.706 121.070 122.820 -0.074 0.000 2.019 199 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 199 A C 1.967 179.482 177.584 -0.116 0.000 1.164 199 A CA 1.454 53.462 52.037 -0.049 0.000 0.644 199 A CB -1.202 17.828 19.000 0.050 0.000 0.805 199 A HN 0.118 nan 8.150 nan 0.000 0.449 200 L N -2.206 118.887 121.223 -0.217 0.000 2.470 200 L HA 0.309 4.649 4.340 -0.000 0.000 0.219 200 L C 1.796 178.551 176.870 -0.192 0.000 1.071 200 L CA 1.366 56.041 54.840 -0.273 0.000 0.850 200 L CB -0.522 41.260 42.059 -0.463 0.000 1.040 200 L HN 0.624 nan 8.230 nan 0.000 0.475 201 G N -0.007 108.697 108.800 -0.160 0.000 2.153 201 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.252 201 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.252 201 G C 0.139 174.958 174.900 -0.135 0.000 0.994 201 G CA 0.726 45.751 45.100 -0.125 0.000 0.698 201 G HN 0.280 nan 8.290 nan 0.000 0.521 202 L N -1.034 120.088 121.223 -0.168 0.000 2.327 202 L HA 0.612 4.952 4.340 -0.000 0.000 0.258 202 L C 0.355 177.128 176.870 -0.162 0.000 1.024 202 L CA -1.125 53.616 54.840 -0.165 0.000 0.825 202 L CB 1.914 43.851 42.059 -0.203 0.000 1.386 202 L HN 0.238 nan 8.230 nan 0.000 0.417 203 Q N 1.392 121.108 119.800 -0.140 0.000 2.259 203 Q HA 0.343 4.683 4.340 -0.000 0.000 0.246 203 Q C -1.386 174.534 176.000 -0.133 0.000 0.920 203 Q CA -0.504 55.215 55.803 -0.141 0.000 0.895 203 Q CB 1.365 30.018 28.738 -0.141 0.000 1.220 203 Q HN 0.400 nan 8.270 nan 0.000 0.439 204 Q N 2.818 122.545 119.800 -0.123 0.000 2.423 204 Q HA 0.557 4.896 4.340 -0.000 0.000 0.278 204 Q C -1.084 174.881 176.000 -0.057 0.000 1.097 204 Q CA -0.641 55.115 55.803 -0.079 0.000 0.809 204 Q CB 2.275 30.973 28.738 -0.067 0.000 1.391 204 Q HN 0.728 nan 8.270 nan 0.000 0.428 205 I N 1.676 122.242 120.570 -0.007 0.000 2.545 205 I HA 0.545 4.715 4.170 -0.000 0.000 0.292 205 I C -0.333 175.810 176.117 0.044 0.000 1.040 205 I CA -0.853 60.464 61.300 0.030 0.000 1.068 205 I CB 1.694 39.758 38.000 0.107 0.000 1.251 205 I HN 0.174 nan 8.210 nan 0.000 0.424 206 R N 3.968 124.497 120.500 0.049 0.000 2.698 206 R HA 0.524 4.864 4.340 -0.000 0.000 0.275 206 R C -1.314 174.867 176.300 -0.198 0.000 1.001 206 R CA -1.148 54.903 56.100 -0.082 0.000 0.896 206 R CB 2.144 32.404 30.300 -0.067 0.000 1.218 206 R HN 0.485 nan 8.270 nan 0.000 0.462 207 Q N 1.124 120.689 119.800 -0.391 0.000 2.230 207 Q HA 0.507 4.847 4.340 -0.000 0.000 0.253 207 Q C -1.139 174.436 176.000 -0.707 0.000 0.919 207 Q CA -0.046 55.544 55.803 -0.356 0.000 0.908 207 Q CB 1.201 29.683 28.738 -0.426 0.000 1.245 207 Q HN 0.407 nan 8.270 nan 0.000 0.437 208 Y N -0.572 119.771 120.300 0.072 0.000 2.421 208 Y HA 0.378 4.928 4.550 -0.000 0.000 0.339 208 Y C -0.192 175.782 175.900 0.122 0.000 0.996 208 Y CA -0.977 57.168 58.100 0.075 0.000 1.046 208 Y CB 2.021 40.504 38.460 0.038 0.000 1.226 208 Y HN 0.504 nan 8.280 nan 0.000 0.445 209 S N 3.345 119.213 115.700 0.280 0.000 2.560 209 S HA 0.281 4.751 4.470 -0.000 0.000 0.284 209 S C -0.212 174.469 174.600 0.136 0.000 1.327 209 S CA -0.526 57.843 58.200 0.283 0.000 1.055 209 S CB 0.212 63.671 63.200 0.432 0.000 0.868 209 S HN 0.427 nan 8.310 nan 0.000 0.506 210 L N 3.001 124.189 121.223 -0.059 0.000 2.281 210 L HA 0.243 4.583 4.340 -0.000 0.000 0.285 210 L C 0.601 177.418 176.870 -0.089 0.000 1.074 210 L CA -0.337 54.299 54.840 -0.340 0.000 0.817 210 L CB 0.680 42.012 42.059 -1.212 0.000 1.168 210 L HN 0.558 nan 8.230 nan 0.000 0.434 211 S N 2.243 117.979 115.700 0.061 0.000 2.632 211 S HA 0.278 4.748 4.470 -0.000 0.000 0.267 211 S C -0.171 174.607 174.600 0.298 0.000 1.276 211 S CA -0.742 57.566 58.200 0.179 0.000 0.998 211 S CB 0.930 64.214 63.200 0.141 0.000 0.953 211 S HN 0.791 nan 8.310 nan 0.000 0.547 212 D N -0.259 120.300 120.400 0.266 0.000 3.369 212 D HA -0.176 4.464 4.640 -0.000 0.000 0.217 212 D C -0.556 175.941 176.300 0.329 0.000 1.532 212 D CA 0.779 54.933 54.000 0.256 0.000 1.126 212 D CB -0.448 40.481 40.800 0.216 0.000 0.683 212 D HN 0.358 nan 8.370 nan 0.000 0.827 213 M N 0.832 120.562 119.600 0.218 0.000 2.602 213 M HA 0.387 4.867 4.480 -0.000 0.000 0.312 213 M C -2.176 174.101 176.300 -0.038 0.000 1.181 213 M CA -1.727 53.594 55.300 0.036 0.000 0.910 213 M CB 1.188 33.779 32.600 -0.014 0.000 1.723 213 M HN 0.174 nan 8.290 nan 0.000 0.459 214 P HA 0.144 nan 4.420 nan 0.000 0.268 214 P C -0.514 176.747 177.300 -0.064 0.000 1.205 214 P CA 0.139 63.074 63.100 -0.275 0.000 0.771 214 P CB 0.269 31.649 31.700 -0.532 0.000 0.858 215 N N 0.733 119.448 118.700 0.025 0.000 2.143 215 N HA 0.170 4.910 4.740 -0.000 0.000 0.222 215 N C 1.157 176.669 175.510 0.004 0.000 1.264 215 N CA 0.186 53.244 53.050 0.014 0.000 0.897 215 N CB -0.145 38.365 38.487 0.038 0.000 1.092 215 N HN 0.591 nan 8.380 nan 0.000 0.516 216 G N 0.554 109.357 108.800 0.005 0.000 2.168 216 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.263 216 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.263 216 G C 0.957 175.842 174.900 -0.025 0.000 0.977 216 G CA 0.796 45.896 45.100 -0.000 0.000 0.659 216 G HN 0.504 nan 8.290 nan 0.000 0.533 217 R N -1.039 119.433 120.500 -0.046 0.000 2.650 217 R HA 0.266 4.606 4.340 -0.000 0.000 0.212 217 R C 0.874 177.122 176.300 -0.088 0.000 0.904 217 R CA 1.039 57.103 56.100 -0.060 0.000 1.021 217 R CB 0.706 30.989 30.300 -0.028 0.000 1.519 217 R HN 0.648 nan 8.270 nan 0.000 0.639 218 T N -1.970 112.532 114.554 -0.086 0.000 2.841 218 T HA 0.607 4.957 4.350 -0.000 0.000 0.296 218 T C -1.362 173.312 174.700 -0.043 0.000 1.166 218 T CA -0.683 61.393 62.100 -0.040 0.000 1.007 218 T CB 1.923 70.831 68.868 0.066 0.000 1.253 218 T HN -0.082 nan 8.240 nan 0.000 0.511 219 Y N -0.386 120.061 120.300 0.244 0.000 2.536 219 Y HA 0.793 5.343 4.550 -0.000 0.000 0.347 219 Y C 0.272 176.250 175.900 0.128 0.000 1.000 219 Y CA -1.367 56.838 58.100 0.175 0.000 1.051 219 Y CB 2.220 40.724 38.460 0.074 0.000 1.259 219 Y HN 0.851 nan 8.280 nan 0.000 0.468 220 R N 3.552 124.222 120.500 0.282 0.000 2.621 220 R HA 0.812 5.152 4.340 -0.000 0.000 0.292 220 R C -1.609 174.778 176.300 0.146 0.000 0.969 220 R CA -0.635 55.583 56.100 0.197 0.000 0.887 220 R CB 1.382 31.786 30.300 0.173 0.000 1.180 220 R HN 0.829 nan 8.270 nan 0.000 0.450 221 I N -0.453 120.206 120.570 0.148 0.000 2.785 221 I HA 0.579 4.749 4.170 -0.000 0.000 0.302 221 I C -1.024 175.193 176.117 0.167 0.000 1.069 221 I CA -0.837 60.537 61.300 0.124 0.000 1.045 221 I CB 2.735 40.762 38.000 0.045 0.000 1.236 221 I HN 0.380 nan 8.210 nan 0.000 0.429 222 S N 3.737 119.529 115.700 0.154 0.000 2.530 222 S HA 0.602 5.072 4.470 -0.000 0.000 0.322 222 S C -0.446 174.263 174.600 0.182 0.000 1.085 222 S CA -0.586 57.711 58.200 0.161 0.000 1.096 222 S CB 1.645 64.917 63.200 0.119 0.000 0.988 222 S HN 0.446 nan 8.310 nan 0.000 0.466 223 V N 4.079 124.124 119.914 0.217 0.000 2.384 223 V HA 0.432 4.552 4.120 -0.000 0.000 0.287 223 V C 0.190 176.500 176.094 0.360 0.000 1.020 223 V CA -0.821 61.616 62.300 0.229 0.000 0.850 223 V CB 1.479 33.358 31.823 0.093 0.000 0.987 223 V HN 0.746 nan 8.190 nan 0.000 0.436 224 K N 4.741 125.300 120.400 0.266 0.000 2.201 224 K HA 0.412 4.732 4.320 -0.000 0.000 0.278 224 K C 0.199 176.819 176.600 0.033 0.000 1.027 224 K CA -0.707 55.685 56.287 0.175 0.000 0.909 224 K CB 0.939 33.520 32.500 0.136 0.000 1.062 224 K HN 0.686 nan 8.250 nan 0.000 0.465 225 R N 3.684 124.058 120.500 -0.210 0.000 2.421 225 R HA 0.001 4.341 4.340 -0.000 0.000 0.305 225 R C -0.585 175.628 176.300 -0.146 0.000 1.039 225 R CA 0.098 55.957 56.100 -0.402 0.000 1.003 225 R CB 0.512 30.481 30.300 -0.552 0.000 0.959 225 R HN 0.597 nan 8.270 nan 0.000 0.427 226 E N 2.449 122.593 120.200 -0.092 0.000 2.232 226 E HA 0.389 4.739 4.350 -0.000 0.000 0.265 226 E C 0.356 176.917 176.600 -0.065 0.000 1.001 226 E CA 0.213 56.584 56.400 -0.047 0.000 0.870 226 E CB 1.689 31.385 29.700 -0.006 0.000 1.175 226 E HN 0.888 nan 8.360 nan 0.000 0.407 227 G N 0.224 108.990 108.800 -0.057 0.000 2.697 227 G HA2 0.139 4.099 3.960 -0.000 0.000 0.240 227 G HA3 0.139 4.099 3.960 -0.000 0.000 0.240 227 G C 0.351 175.213 174.900 -0.063 0.000 1.346 227 G CA -0.067 44.993 45.100 -0.066 0.000 0.887 227 G HN 1.213 nan 8.290 nan 0.000 0.569 228 G N -2.696 106.069 108.800 -0.058 0.000 2.422 228 G HA2 0.542 4.502 3.960 -0.000 0.000 0.607 228 G HA3 0.542 4.502 3.960 -0.000 0.000 0.607 228 G C 1.333 176.209 174.900 -0.040 0.000 1.270 228 G CA 0.928 45.999 45.100 -0.048 0.000 0.992 228 G HN 3.141 nan 8.290 nan 0.000 0.499 229 G N -0.284 108.496 108.800 -0.034 0.000 2.602 229 G HA2 0.060 4.020 3.960 -0.000 0.000 0.306 229 G HA3 0.060 4.020 3.960 -0.000 0.000 0.306 229 G C -1.513 173.371 174.900 -0.026 0.000 1.301 229 G CA 1.137 46.220 45.100 -0.029 0.000 0.974 229 G HN 1.621 nan 8.290 nan 0.000 0.547 230 P HA 0.557 nan 4.420 nan 0.000 0.219 230 P C -0.798 176.488 177.300 -0.023 0.000 1.847 230 P CA 0.077 63.164 63.100 -0.021 0.000 1.110 230 P CB 1.322 33.012 31.700 -0.017 0.000 1.839 231 Q N 2.894 122.677 119.800 -0.029 0.000 2.429 231 Q HA 0.271 4.611 4.340 -0.000 0.000 0.247 231 Q C -2.962 173.010 176.000 -0.046 0.000 0.915 231 Q CA -1.703 54.080 55.803 -0.032 0.000 0.971 231 Q CB 1.537 30.253 28.738 -0.035 0.000 1.468 231 Q HN 0.030 nan 8.270 nan 0.000 0.439 232 P HA 0.022 nan 4.420 nan 0.000 0.250 232 P C -2.161 175.056 177.300 -0.137 0.000 1.161 232 P CA -0.340 62.708 63.100 -0.088 0.000 0.863 232 P CB -0.376 31.276 31.700 -0.080 0.000 0.827 233 P HA -0.058 nan 4.420 nan 0.000 0.266 233 P C 0.739 177.906 177.300 -0.222 0.000 1.186 233 P CA 0.381 63.400 63.100 -0.134 0.000 0.767 233 P CB 0.517 32.164 31.700 -0.088 0.000 0.820 234 G N 1.240 109.946 108.800 -0.157 0.000 2.441 234 G HA2 0.071 4.031 3.960 -0.000 0.000 0.243 234 G HA3 0.071 4.031 3.960 -0.000 0.000 0.243 234 G C 0.437 175.267 174.900 -0.117 0.000 1.281 234 G CA -0.372 44.632 45.100 -0.160 0.000 0.854 234 G HN 0.454 nan 8.290 nan 0.000 0.560 235 Y N 1.321 121.627 120.300 0.009 0.000 2.092 235 Y HA -0.163 4.387 4.550 -0.000 0.000 0.282 235 Y C 2.897 178.817 175.900 0.034 0.000 1.126 235 Y CA 1.240 59.346 58.100 0.010 0.000 1.111 235 Y CB -0.329 38.124 38.460 -0.011 0.000 0.987 235 Y HN 0.292 nan 8.280 nan 0.000 0.489 236 V N -0.096 119.955 119.914 0.229 0.000 2.358 236 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 236 V C 2.382 178.562 176.094 0.144 0.000 1.047 236 V CA 1.879 64.278 62.300 0.165 0.000 1.035 236 V CB -1.019 30.908 31.823 0.174 0.000 0.658 236 V HN 0.553 nan 8.190 nan 0.000 0.452 237 S N 0.861 116.651 115.700 0.150 0.000 2.368 237 S HA -0.248 4.222 4.470 -0.000 0.000 0.225 237 S C 1.819 176.481 174.600 0.104 0.000 1.030 237 S CA 1.775 60.054 58.200 0.132 0.000 0.999 237 S CB -0.692 62.565 63.200 0.094 0.000 0.844 237 S HN 0.631 nan 8.310 nan 0.000 0.459 238 N N 1.443 120.175 118.700 0.053 0.000 2.188 238 N HA 0.022 4.762 4.740 -0.000 0.000 0.184 238 N C 1.707 177.291 175.510 0.123 0.000 1.018 238 N CA 1.120 54.197 53.050 0.045 0.000 0.858 238 N CB -0.552 37.948 38.487 0.022 0.000 0.989 238 N HN 0.337 nan 8.380 nan 0.000 0.426 239 L N 1.626 122.944 121.223 0.157 0.000 2.046 239 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 239 L C 2.102 179.068 176.870 0.160 0.000 1.077 239 L CA 1.258 56.222 54.840 0.206 0.000 0.747 239 L CB -0.564 41.594 42.059 0.166 0.000 0.896 239 L HN 0.091 nan 8.230 nan 0.000 0.432 240 L N -1.672 119.622 121.223 0.118 0.000 2.093 240 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 240 L C 2.499 179.524 176.870 0.259 0.000 1.085 240 L CA 1.027 55.906 54.840 0.065 0.000 0.755 240 L CB -0.678 41.266 42.059 -0.191 0.000 0.904 240 L HN 0.348 nan 8.230 nan 0.000 0.435 241 H N -0.157 118.998 119.070 0.141 0.000 2.326 241 H HA -0.121 4.435 4.556 -0.000 0.000 0.301 241 H C 1.496 176.821 175.328 -0.004 0.000 1.081 241 H CA 1.626 57.743 56.048 0.116 0.000 1.334 241 H CB 0.064 29.859 29.762 0.056 0.000 1.385 241 H HN 0.254 nan 8.280 nan 0.000 0.504 242 D N -1.380 119.016 120.400 -0.006 0.000 2.369 242 D HA 0.017 4.656 4.640 -0.000 0.000 0.211 242 D C 0.763 176.719 176.300 -0.573 0.000 1.077 242 D CA 0.456 54.268 54.000 -0.313 0.000 0.842 242 D CB 0.510 41.019 40.800 -0.484 0.000 0.947 242 D HN 0.547 nan 8.370 nan 0.000 0.509 243 H N -0.942 118.180 119.070 0.088 0.000 3.680 243 H HA 0.223 4.779 4.556 -0.000 0.000 0.260 243 H C -0.008 175.355 175.328 0.059 0.000 1.183 243 H CA 0.090 56.173 56.048 0.060 0.000 1.159 243 H CB 1.547 31.336 29.762 0.045 0.000 1.567 243 H HN -0.133 nan 8.280 nan 0.000 0.648 244 V N 3.465 123.476 119.914 0.162 0.000 2.350 244 V HA 0.261 4.381 4.120 -0.000 0.000 0.276 244 V C 0.070 176.260 176.094 0.161 0.000 1.028 244 V CA -0.645 61.740 62.300 0.141 0.000 0.860 244 V CB 1.397 33.282 31.823 0.104 0.000 0.990 244 V HN 0.256 nan 8.190 nan 0.000 0.453 245 N N 2.320 121.089 118.700 0.115 0.000 2.453 245 N HA 0.508 5.248 4.740 -0.000 0.000 0.290 245 N C -0.612 174.945 175.510 0.079 0.000 1.250 245 N CA -0.620 52.480 53.050 0.084 0.000 0.815 245 N CB 2.214 40.732 38.487 0.051 0.000 1.381 245 N HN 0.294 nan 8.380 nan 0.000 0.510 246 V N 0.888 120.832 119.914 0.050 0.000 2.644 246 V HA 0.152 4.272 4.120 -0.000 0.000 0.305 246 V C 1.552 177.672 176.094 0.042 0.000 1.053 246 V CA 1.714 64.041 62.300 0.045 0.000 1.186 246 V CB -0.016 31.817 31.823 0.018 0.000 0.895 246 V HN 1.088 nan 8.190 nan 0.000 0.490 247 G N 3.570 112.398 108.800 0.047 0.000 2.254 247 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.225 247 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.225 247 G C 0.014 174.938 174.900 0.040 0.000 1.003 247 G CA 0.056 45.177 45.100 0.035 0.000 0.622 247 G HN 0.659 nan 8.290 nan 0.000 0.507 248 D N 1.282 121.714 120.400 0.053 0.000 2.357 248 D HA 0.493 5.133 4.640 -0.000 0.000 0.242 248 D C 0.740 177.072 176.300 0.054 0.000 1.153 248 D CA 0.371 54.401 54.000 0.050 0.000 0.918 248 D CB 0.600 41.435 40.800 0.058 0.000 1.181 248 D HN 0.517 nan 8.370 nan 0.000 0.435 249 Q N -0.157 119.667 119.800 0.041 0.000 2.306 249 Q HA 0.621 4.961 4.340 -0.000 0.000 0.265 249 Q C -0.684 175.339 176.000 0.038 0.000 1.022 249 Q CA -0.985 54.847 55.803 0.048 0.000 0.853 249 Q CB 2.496 31.252 28.738 0.031 0.000 1.327 249 Q HN 0.339 nan 8.270 nan 0.000 0.449 250 V N -1.844 118.110 119.914 0.066 0.000 3.049 250 V HA 0.588 4.708 4.120 -0.000 0.000 0.309 250 V C -1.232 174.912 176.094 0.083 0.000 1.148 250 V CA -1.204 61.115 62.300 0.031 0.000 0.990 250 V CB 2.076 33.896 31.823 -0.005 0.000 1.039 250 V HN 0.614 nan 8.190 nan 0.000 0.430 251 K N 2.836 123.245 120.400 0.015 0.000 2.183 251 K HA 0.748 5.068 4.320 -0.000 0.000 0.274 251 K C -1.182 175.546 176.600 0.214 0.000 1.009 251 K CA -0.406 55.940 56.287 0.099 0.000 0.888 251 K CB 1.581 34.008 32.500 -0.123 0.000 1.078 251 K HN 0.612 nan 8.250 nan 0.000 0.459 252 L N 2.049 123.526 121.223 0.423 0.000 2.354 252 L HA 0.595 4.935 4.340 -0.000 0.000 0.269 252 L C -0.205 177.148 176.870 0.804 0.000 1.005 252 L CA -1.084 54.025 54.840 0.448 0.000 0.819 252 L CB 1.986 44.014 42.059 -0.050 0.000 1.311 252 L HN 0.680 nan 8.230 nan 0.000 0.423 253 A N 1.605 124.817 122.820 0.652 0.000 2.282 253 A HA 0.811 5.131 4.320 -0.000 0.000 0.319 253 A C 0.154 177.862 177.584 0.206 0.000 1.121 253 A CA -0.274 51.998 52.037 0.391 0.000 0.836 253 A CB 1.139 20.232 19.000 0.155 0.000 1.146 253 A HN 0.803 nan 8.150 nan 0.000 0.494 254 A N 1.579 124.153 122.820 -0.410 0.000 2.429 254 A HA 0.537 4.856 4.320 -0.000 0.000 0.242 254 A C -2.405 174.734 177.584 -0.742 0.000 1.088 254 A CA -0.938 50.458 52.037 -1.070 0.000 0.784 254 A CB -0.799 17.322 19.000 -1.465 0.000 1.038 254 A HN 0.584 nan 8.150 nan 0.000 0.501 255 P HA 0.357 nan 4.420 nan 0.000 0.268 255 P C -1.086 175.708 177.300 -0.843 0.000 1.204 255 P CA 0.787 63.530 63.100 -0.596 0.000 0.768 255 P CB 0.147 31.629 31.700 -0.364 0.000 0.842 256 Y N 0.965 121.001 120.300 -0.440 0.000 2.689 256 Y HA 0.711 5.261 4.550 -0.000 0.000 0.333 256 Y C 0.487 175.939 175.900 -0.746 0.000 1.190 256 Y CA -0.647 57.187 58.100 -0.443 0.000 1.063 256 Y CB 2.380 40.649 38.460 -0.319 0.000 1.294 256 Y HN 0.631 nan 8.280 nan 0.000 0.466 257 G N -0.086 108.599 108.800 -0.191 0.000 2.801 257 G HA2 0.115 4.075 3.960 -0.000 0.000 0.648 257 G HA3 0.115 4.075 3.960 -0.000 0.000 0.648 257 G C -0.133 174.838 174.900 0.117 0.000 1.415 257 G CA -0.324 44.717 45.100 -0.099 0.000 0.887 257 G HN 0.972 nan 8.290 nan 0.000 0.627 258 S N 0.709 116.475 115.700 0.111 0.000 2.593 258 S HA 0.269 4.739 4.470 -0.000 0.000 0.217 258 S C 0.671 175.200 174.600 -0.118 0.000 0.966 258 S CA 0.185 58.379 58.200 -0.010 0.000 0.914 258 S CB 0.137 63.351 63.200 0.023 0.000 0.776 258 S HN 1.354 nan 8.310 nan 0.000 0.523 259 F N 4.855 124.751 119.950 -0.091 0.000 2.423 259 F HA 0.494 5.021 4.527 -0.000 0.000 0.356 259 F C -0.104 175.642 175.800 -0.089 0.000 1.170 259 F CA -0.791 57.167 58.000 -0.069 0.000 1.163 259 F CB -0.454 38.554 39.000 0.014 0.000 1.318 259 F HN 0.454 nan 8.300 nan 0.000 0.569 260 H N 3.164 121.958 119.070 -0.460 0.000 2.984 260 H HA 0.375 4.931 4.556 -0.000 0.000 0.298 260 H C -1.313 173.715 175.328 -0.501 0.000 1.378 260 H CA -1.434 54.282 56.048 -0.553 0.000 1.241 260 H CB -0.075 29.512 29.762 -0.292 0.000 1.894 260 H HN 0.331 nan 8.280 nan 0.000 0.511 261 I N 1.124 121.436 120.570 -0.431 0.000 2.779 261 I HA 0.057 4.227 4.170 -0.000 0.000 0.285 261 I C 0.253 176.337 176.117 -0.055 0.000 1.134 261 I CA 0.227 61.285 61.300 -0.405 0.000 1.398 261 I CB 0.451 38.195 38.000 -0.425 0.000 1.404 261 I HN 0.606 nan 8.210 nan 0.000 0.587 262 D N 5.041 125.422 120.400 -0.032 0.000 2.428 262 D HA 0.127 4.766 4.640 -0.000 0.000 0.221 262 D C 0.853 177.145 176.300 -0.012 0.000 1.123 262 D CA -0.258 53.755 54.000 0.022 0.000 0.869 262 D CB 1.525 42.341 40.800 0.027 0.000 1.032 262 D HN 0.240 nan 8.370 nan 0.000 0.506 263 V N 3.546 123.444 119.914 -0.026 0.000 2.568 263 V HA -0.191 3.929 4.120 -0.000 0.000 0.253 263 V C 1.489 177.570 176.094 -0.022 0.000 1.072 263 V CA 1.443 63.720 62.300 -0.038 0.000 1.084 263 V CB -0.178 31.613 31.823 -0.053 0.000 0.676 263 V HN 0.547 nan 8.190 nan 0.000 0.469 264 D N 0.052 120.445 120.400 -0.011 0.000 2.340 264 D HA 0.188 4.828 4.640 -0.000 0.000 0.220 264 D C 0.912 177.214 176.300 0.003 0.000 1.039 264 D CA 0.634 54.632 54.000 -0.004 0.000 0.866 264 D CB 0.189 40.988 40.800 -0.002 0.000 0.913 264 D HN 0.490 nan 8.370 nan 0.000 0.523 265 A N 0.849 123.672 122.820 0.006 0.000 2.322 265 A HA 0.278 4.598 4.320 -0.000 0.000 0.269 265 A C 1.114 178.704 177.584 0.010 0.000 1.094 265 A CA -0.236 51.809 52.037 0.013 0.000 0.807 265 A CB 0.826 19.840 19.000 0.023 0.000 1.047 265 A HN -0.182 nan 8.150 nan 0.000 0.487 266 K N 0.390 120.799 120.400 0.014 0.000 2.373 266 K HA 0.102 4.422 4.320 -0.000 0.000 0.200 266 K C 0.698 177.307 176.600 0.016 0.000 1.054 266 K CA 0.724 57.019 56.287 0.013 0.000 1.065 266 K CB -0.414 32.094 32.500 0.014 0.000 0.886 266 K HN 0.862 nan 8.250 nan 0.000 0.546 267 T N 0.916 115.481 114.554 0.018 0.000 2.813 267 T HA 0.270 4.620 4.350 -0.000 0.000 0.297 267 T C -2.596 172.110 174.700 0.011 0.000 1.036 267 T CA -1.528 60.582 62.100 0.016 0.000 1.044 267 T CB 0.556 69.436 68.868 0.019 0.000 0.993 267 T HN -0.181 nan 8.240 nan 0.000 0.535 268 P HA 0.325 nan 4.420 nan 0.000 0.269 268 P C -0.724 176.560 177.300 -0.027 0.000 1.217 268 P CA -0.176 62.916 63.100 -0.014 0.000 0.783 268 P CB 0.290 31.973 31.700 -0.029 0.000 0.898 269 I N 1.128 121.693 120.570 -0.009 0.000 2.466 269 I HA 0.282 4.452 4.170 -0.000 0.000 0.289 269 I C -0.809 175.311 176.117 0.004 0.000 1.026 269 I CA -0.926 60.394 61.300 0.034 0.000 1.078 269 I CB 2.138 40.175 38.000 0.062 0.000 1.249 269 I HN -0.068 nan 8.210 nan 0.000 0.429 270 V N 7.358 127.234 119.914 -0.063 0.000 2.378 270 V HA 0.422 4.542 4.120 -0.000 0.000 0.288 270 V C -0.107 176.042 176.094 0.091 0.000 1.016 270 V CA -0.463 61.817 62.300 -0.033 0.000 0.840 270 V CB 1.713 33.434 31.823 -0.170 0.000 0.994 270 V HN 0.477 nan 8.190 nan 0.000 0.431 271 L N 6.412 127.656 121.223 0.034 0.000 2.282 271 L HA 0.615 4.955 4.340 -0.000 0.000 0.288 271 L C -0.578 176.140 176.870 -0.254 0.000 1.033 271 L CA -0.286 54.505 54.840 -0.082 0.000 0.807 271 L CB 1.524 43.426 42.059 -0.262 0.000 1.209 271 L HN 0.490 nan 8.230 nan 0.000 0.423 272 I N 2.580 123.123 120.570 -0.044 0.000 2.411 272 I HA 0.269 4.438 4.170 -0.000 0.000 0.284 272 I C -0.220 175.984 176.117 0.145 0.000 1.012 272 I CA -0.103 61.215 61.300 0.030 0.000 1.119 272 I CB 1.939 40.006 38.000 0.112 0.000 1.261 272 I HN 0.479 nan 8.210 nan 0.000 0.448 273 S N 3.781 119.555 115.700 0.124 0.000 2.519 273 S HA 0.671 5.141 4.470 -0.000 0.000 0.309 273 S C 0.336 174.975 174.600 0.064 0.000 1.100 273 S CA -0.428 57.894 58.200 0.204 0.000 1.059 273 S CB 1.430 64.825 63.200 0.326 0.000 1.008 273 S HN 0.804 nan 8.310 nan 0.000 0.478 274 G N 1.676 110.263 108.800 -0.356 0.000 4.044 274 G HA2 0.523 4.482 3.960 -0.000 0.000 0.297 274 G HA3 0.523 4.482 3.960 -0.000 0.000 0.297 274 G C 0.723 175.257 174.900 -0.611 0.000 1.101 274 G CA 0.026 44.526 45.100 -0.999 0.000 0.884 274 G HN 1.344 nan 8.290 nan 0.000 0.538 275 G N -0.853 107.801 108.800 -0.244 0.000 3.609 275 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.219 275 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.219 275 G C 0.127 175.003 174.900 -0.039 0.000 0.951 275 G CA 0.067 45.072 45.100 -0.158 0.000 0.867 275 G HN 0.449 nan 8.290 nan 0.000 0.478 276 V N 3.214 123.121 119.914 -0.011 0.000 2.434 276 V HA 0.465 4.585 4.120 -0.000 0.000 0.281 276 V C 1.625 177.770 176.094 0.086 0.000 1.005 276 V CA 0.648 62.966 62.300 0.030 0.000 1.089 276 V CB 0.262 32.122 31.823 0.062 0.000 0.978 276 V HN 0.525 nan 8.190 nan 0.000 0.474 277 G N 3.843 112.674 108.800 0.052 0.000 2.525 277 G HA2 0.259 4.219 3.960 -0.000 0.000 0.276 277 G HA3 0.259 4.219 3.960 -0.000 0.000 0.276 277 G C 1.061 175.977 174.900 0.028 0.000 1.388 277 G CA -0.563 44.574 45.100 0.061 0.000 1.050 277 G HN 0.609 nan 8.290 nan 0.000 0.520 278 L N -0.627 120.605 121.223 0.014 0.000 1.997 278 L HA -0.140 4.200 4.340 -0.000 0.000 0.227 278 L C 1.663 178.526 176.870 -0.012 0.000 1.087 278 L CA 1.581 56.420 54.840 -0.003 0.000 0.797 278 L CB -0.962 41.096 42.059 -0.002 0.000 0.902 278 L HN 0.337 nan 8.230 nan 0.000 0.441 279 T N 0.305 114.846 114.554 -0.022 0.000 2.806 279 T HA 0.257 4.607 4.350 -0.000 0.000 0.290 279 T C -1.882 172.734 174.700 -0.139 0.000 0.966 279 T CA -0.938 61.134 62.100 -0.047 0.000 1.060 279 T CB 1.657 70.520 68.868 -0.008 0.000 0.927 279 T HN 0.108 nan 8.240 nan 0.000 0.485 280 P HA 0.250 nan 4.420 nan 0.000 0.267 280 P C 1.321 178.514 177.300 -0.179 0.000 1.289 280 P CA -0.202 62.727 63.100 -0.285 0.000 0.866 280 P CB 0.166 31.604 31.700 -0.436 0.000 1.309 281 M N -0.297 119.209 119.600 -0.157 0.000 2.530 281 M HA -0.070 4.410 4.480 -0.000 0.000 0.261 281 M C 1.539 177.959 176.300 0.201 0.000 1.067 281 M CA 0.915 56.321 55.300 0.176 0.000 1.071 281 M CB -0.983 31.759 32.600 0.236 0.000 1.405 281 M HN -0.127 nan 8.290 nan 0.000 0.478 282 V N -0.915 119.059 119.914 0.100 0.000 2.649 282 V HA -0.150 3.969 4.120 -0.000 0.000 0.248 282 V C 2.109 178.259 176.094 0.093 0.000 1.054 282 V CA 1.399 63.739 62.300 0.068 0.000 1.073 282 V CB -0.091 31.748 31.823 0.027 0.000 0.699 282 V HN 0.418 nan 8.190 nan 0.000 0.463 283 S N -0.573 115.210 115.700 0.139 0.000 2.402 283 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 283 S C 1.814 176.497 174.600 0.137 0.000 1.021 283 S CA 1.800 60.088 58.200 0.147 0.000 0.974 283 S CB -0.243 63.088 63.200 0.218 0.000 0.800 283 S HN 0.543 nan 8.310 nan 0.000 0.484 284 M N 0.719 120.439 119.600 0.199 0.000 2.288 284 M HA 0.117 4.597 4.480 -0.000 0.000 0.266 284 M C 1.934 178.267 176.300 0.055 0.000 1.072 284 M CA 0.936 56.303 55.300 0.112 0.000 1.132 284 M CB -0.039 32.669 32.600 0.179 0.000 1.386 284 M HN 0.273 nan 8.290 nan 0.000 0.432 285 L N 0.178 121.466 121.223 0.109 0.000 2.093 285 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 285 L C 1.977 178.832 176.870 -0.025 0.000 1.085 285 L CA 1.625 56.507 54.840 0.070 0.000 0.755 285 L CB -0.387 41.709 42.059 0.061 0.000 0.904 285 L HN 0.315 nan 8.230 nan 0.000 0.435 286 K N -0.825 119.566 120.400 -0.015 0.000 2.057 286 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 286 K C 1.924 178.492 176.600 -0.054 0.000 1.049 286 K CA 1.379 57.643 56.287 -0.039 0.000 0.931 286 K CB -0.065 32.433 32.500 -0.003 0.000 0.714 286 K HN 0.215 nan 8.250 nan 0.000 0.440 287 V N 1.080 120.965 119.914 -0.047 0.000 2.427 287 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 287 V C 2.252 178.295 176.094 -0.085 0.000 1.051 287 V CA 1.936 64.195 62.300 -0.069 0.000 1.048 287 V CB -0.520 31.252 31.823 -0.086 0.000 0.666 287 V HN 0.345 nan 8.190 nan 0.000 0.456 288 A N -0.311 122.453 122.820 -0.093 0.000 1.969 288 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 288 A C 2.003 179.531 177.584 -0.094 0.000 1.169 288 A CA 1.312 53.294 52.037 -0.091 0.000 0.635 288 A CB -0.408 18.552 19.000 -0.067 0.000 0.810 288 A HN 0.530 nan 8.150 nan 0.000 0.445 289 L N -0.166 120.971 121.223 -0.143 0.000 2.612 289 L HA 0.060 4.400 4.340 -0.000 0.000 0.230 289 L C 0.697 177.503 176.870 -0.107 0.000 1.140 289 L CA -0.260 54.442 54.840 -0.230 0.000 0.896 289 L CB -0.337 41.397 42.059 -0.542 0.000 1.065 289 L HN 0.450 nan 8.230 nan 0.000 0.447 290 Q N 0.784 120.549 119.800 -0.058 0.000 2.392 290 Q HA 0.313 4.652 4.340 -0.000 0.000 0.262 290 Q C 0.369 176.375 176.000 0.011 0.000 1.003 290 Q CA -0.304 55.491 55.803 -0.014 0.000 0.888 290 Q CB 1.203 29.926 28.738 -0.025 0.000 1.260 290 Q HN 0.336 nan 8.270 nan 0.000 0.435 291 A N 3.901 126.740 122.820 0.031 0.000 2.407 291 A HA 0.384 4.704 4.320 -0.000 0.000 0.248 291 A C -1.905 175.690 177.584 0.018 0.000 1.082 291 A CA -1.074 50.985 52.037 0.037 0.000 0.785 291 A CB -0.236 18.789 19.000 0.041 0.000 1.020 291 A HN 0.567 nan 8.150 nan 0.000 0.489 292 P HA 0.350 nan 4.420 nan 0.000 0.274 292 P C -2.797 174.522 177.300 0.032 0.000 1.231 292 P CA -1.308 61.808 63.100 0.027 0.000 0.790 292 P CB -0.217 31.495 31.700 0.020 0.000 0.951 293 P HA 0.145 nan 4.420 nan 0.000 0.262 293 P C -0.110 177.213 177.300 0.039 0.000 1.182 293 P CA 0.541 63.675 63.100 0.057 0.000 0.761 293 P CB 0.397 32.143 31.700 0.076 0.000 0.795 294 R N 1.799 122.317 120.500 0.030 0.000 2.832 294 R HA 0.373 4.713 4.340 -0.000 0.000 0.271 294 R C -0.148 176.172 176.300 0.033 0.000 0.996 294 R CA -1.028 55.086 56.100 0.024 0.000 0.977 294 R CB 1.376 31.682 30.300 0.010 0.000 1.168 294 R HN 0.452 nan 8.270 nan 0.000 0.482 295 Q N 1.816 121.637 119.800 0.035 0.000 2.293 295 Q HA 0.254 4.594 4.340 -0.000 0.000 0.263 295 Q C -1.218 174.811 176.000 0.048 0.000 1.002 295 Q CA -0.114 55.717 55.803 0.047 0.000 0.910 295 Q CB 0.821 29.585 28.738 0.044 0.000 1.185 295 Q HN 0.314 nan 8.270 nan 0.000 0.401 296 V N 4.692 124.647 119.914 0.068 0.000 2.588 296 V HA 0.493 4.613 4.120 -0.000 0.000 0.304 296 V C -0.712 175.467 176.094 0.142 0.000 1.042 296 V CA -0.832 61.520 62.300 0.085 0.000 0.877 296 V CB 2.046 33.910 31.823 0.069 0.000 0.996 296 V HN 0.586 nan 8.190 nan 0.000 0.425 297 V N 4.629 124.642 119.914 0.164 0.000 2.487 297 V HA 0.504 4.624 4.120 -0.000 0.000 0.298 297 V C -0.975 175.289 176.094 0.284 0.000 1.028 297 V CA -0.527 61.924 62.300 0.251 0.000 0.860 297 V CB 1.823 33.785 31.823 0.230 0.000 0.991 297 V HN 0.738 nan 8.190 nan 0.000 0.427 298 F N 4.738 124.837 119.950 0.248 0.000 2.426 298 F HA 0.696 5.223 4.527 -0.000 0.000 0.348 298 F C -0.303 175.714 175.800 0.361 0.000 1.124 298 F CA -0.542 57.609 58.000 0.253 0.000 1.008 298 F CB 1.635 40.743 39.000 0.180 0.000 1.139 298 F HN 0.274 nan 8.300 nan 0.000 0.452 299 V N 5.615 125.666 119.914 0.228 0.000 2.328 299 V HA 0.171 4.291 4.120 -0.000 0.000 0.278 299 V C -0.823 175.552 176.094 0.469 0.000 1.021 299 V CA -0.674 61.885 62.300 0.433 0.000 0.838 299 V CB 0.833 32.813 31.823 0.262 0.000 0.999 299 V HN 0.636 nan 8.190 nan 0.000 0.447 300 H N 3.733 123.155 119.070 0.586 0.000 2.641 300 H HA 0.607 5.163 4.556 -0.000 0.000 0.295 300 H C 0.369 175.968 175.328 0.452 0.000 1.070 300 H CA -0.427 55.953 56.048 0.553 0.000 1.257 300 H CB 1.261 31.356 29.762 0.555 0.000 1.393 300 H HN 0.702 nan 8.280 nan 0.000 0.464 301 G N 4.013 112.889 108.800 0.127 0.000 2.404 301 G HA2 0.580 4.540 3.960 -0.000 0.000 0.316 301 G HA3 0.580 4.540 3.960 -0.000 0.000 0.316 301 G C -0.567 174.231 174.900 -0.170 0.000 1.074 301 G CA 0.135 45.248 45.100 0.022 0.000 0.989 301 G HN 0.807 nan 8.290 nan 0.000 0.430 302 A N 2.956 125.706 122.820 -0.116 0.000 2.414 302 A HA 0.812 5.132 4.320 -0.000 0.000 0.278 302 A C 1.147 178.720 177.584 -0.019 0.000 1.228 302 A CA -0.810 51.166 52.037 -0.102 0.000 0.857 302 A CB 1.296 20.240 19.000 -0.094 0.000 1.389 302 A HN 0.544 nan 8.150 nan 0.000 0.452 303 R N -0.453 119.953 120.500 -0.158 0.000 2.072 303 R HA 0.160 4.500 4.340 -0.000 0.000 0.214 303 R C -0.288 175.662 176.300 -0.583 0.000 1.168 303 R CA 1.359 57.323 56.100 -0.227 0.000 1.020 303 R CB -0.122 30.084 30.300 -0.156 0.000 0.914 303 R HN 0.915 nan 8.270 nan 0.000 0.449 304 N N -2.674 115.497 118.700 -0.882 0.000 3.373 304 N HA 0.039 4.779 4.740 -0.000 0.000 0.275 304 N C -0.310 174.724 175.510 -0.793 0.000 1.489 304 N CA -0.508 51.739 53.050 -1.338 0.000 0.872 304 N CB 0.499 38.651 38.487 -0.558 0.000 1.555 304 N HN -0.297 nan 8.380 nan 0.000 0.500 305 S N -0.875 114.617 115.700 -0.347 0.000 2.469 305 S HA -0.043 4.427 4.470 -0.000 0.000 0.238 305 S C 1.794 176.476 174.600 0.138 0.000 0.998 305 S CA 0.904 59.162 58.200 0.097 0.000 0.957 305 S CB -0.856 62.471 63.200 0.210 0.000 0.764 305 S HN 0.681 nan 8.310 nan 0.000 0.514 306 A N 1.055 123.873 122.820 -0.003 0.000 1.903 306 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 306 A C 1.049 178.610 177.584 -0.039 0.000 1.191 306 A CA 1.315 53.349 52.037 -0.005 0.000 0.638 306 A CB -0.383 18.589 19.000 -0.047 0.000 0.823 306 A HN 0.333 nan 8.150 nan 0.000 0.451 307 V N 0.612 120.495 119.914 -0.052 0.000 2.326 307 V HA 0.421 4.541 4.120 -0.000 0.000 0.281 307 V C -0.222 175.882 176.094 0.016 0.000 1.015 307 V CA -0.052 62.199 62.300 -0.083 0.000 0.823 307 V CB 0.723 32.522 31.823 -0.041 0.000 1.009 307 V HN 0.758 nan 8.190 nan 0.000 0.436 308 H N 2.443 121.558 119.070 0.074 0.000 2.665 308 H HA 0.631 5.187 4.556 -0.000 0.000 0.248 308 H C 1.046 176.430 175.328 0.093 0.000 1.175 308 H CA 0.252 56.373 56.048 0.122 0.000 0.952 308 H CB 0.225 30.067 29.762 0.133 0.000 1.883 308 H HN 0.456 nan 8.280 nan 0.000 0.623 309 A N 1.114 123.975 122.820 0.068 0.000 1.845 309 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 309 A C 2.271 179.893 177.584 0.063 0.000 1.195 309 A CA 1.976 54.053 52.037 0.067 0.000 0.616 309 A CB -0.517 18.486 19.000 0.004 0.000 0.832 309 A HN 0.460 nan 8.150 nan 0.000 0.443 310 M N -0.353 119.273 119.600 0.042 0.000 2.108 310 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 310 M C 2.146 178.350 176.300 -0.161 0.000 1.066 310 M CA 2.122 57.374 55.300 -0.079 0.000 1.107 310 M CB -0.382 32.173 32.600 -0.075 0.000 1.356 310 M HN 0.460 nan 8.290 nan 0.000 0.406 311 R N -0.149 120.362 120.500 0.019 0.000 2.080 311 R HA -0.184 4.156 4.340 -0.000 0.000 0.236 311 R C 1.570 177.890 176.300 0.033 0.000 1.137 311 R CA 2.217 58.364 56.100 0.080 0.000 0.943 311 R CB -0.559 29.933 30.300 0.320 0.000 0.846 311 R HN 0.428 nan 8.270 nan 0.000 0.431 312 D N -0.131 120.317 120.400 0.081 0.000 2.144 312 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 312 D C 2.026 178.328 176.300 0.003 0.000 0.978 312 D CA 0.694 54.722 54.000 0.047 0.000 0.833 312 D CB -0.203 40.654 40.800 0.095 0.000 0.961 312 D HN 0.089 nan 8.370 nan 0.000 0.470 313 R N 0.562 121.051 120.500 -0.018 0.000 2.081 313 R HA 0.006 4.346 4.340 -0.000 0.000 0.235 313 R C 2.502 178.747 176.300 -0.091 0.000 1.131 313 R CA 0.444 56.515 56.100 -0.047 0.000 0.960 313 R CB -0.906 29.355 30.300 -0.064 0.000 0.856 313 R HN 0.292 nan 8.270 nan 0.000 0.436 314 L N -0.050 121.075 121.223 -0.165 0.000 2.093 314 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 314 L C 2.594 179.404 176.870 -0.101 0.000 1.085 314 L CA 1.223 55.930 54.840 -0.220 0.000 0.755 314 L CB -0.307 41.526 42.059 -0.376 0.000 0.904 314 L HN 0.125 nan 8.230 nan 0.000 0.435 315 R N -0.543 119.922 120.500 -0.058 0.000 2.092 315 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 315 R C 2.245 178.538 176.300 -0.012 0.000 1.119 315 R CA 0.845 56.928 56.100 -0.028 0.000 0.970 315 R CB -0.165 30.124 30.300 -0.018 0.000 0.864 315 R HN 0.276 nan 8.270 nan 0.000 0.440 316 E N 0.761 120.957 120.200 -0.007 0.000 2.072 316 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 316 E C 1.854 178.480 176.600 0.044 0.000 0.985 316 E CA 1.295 57.702 56.400 0.011 0.000 0.801 316 E CB 0.027 29.734 29.700 0.012 0.000 0.750 316 E HN 0.301 nan 8.360 nan 0.000 0.452 317 A N 1.157 124.009 122.820 0.052 0.000 1.873 317 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 317 A C 2.409 180.102 177.584 0.180 0.000 1.186 317 A CA 2.045 54.168 52.037 0.142 0.000 0.616 317 A CB -0.666 18.354 19.000 0.033 0.000 0.823 317 A HN 0.299 nan 8.150 nan 0.000 0.442 318 A N -0.440 122.427 122.820 0.078 0.000 2.019 318 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 318 A C 2.103 179.726 177.584 0.065 0.000 1.164 318 A CA 1.927 54.008 52.037 0.074 0.000 0.644 318 A CB -0.397 18.616 19.000 0.022 0.000 0.805 318 A HN 0.569 nan 8.150 nan 0.000 0.449 319 K N -0.915 119.510 120.400 0.041 0.000 2.103 319 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 319 K C 1.848 178.451 176.600 0.005 0.000 1.052 319 K CA 1.696 57.992 56.287 0.013 0.000 0.945 319 K CB -0.159 32.340 32.500 -0.001 0.000 0.722 319 K HN 0.440 nan 8.250 nan 0.000 0.443 320 T N -0.209 114.354 114.554 0.016 0.000 2.809 320 T HA -0.045 4.305 4.350 -0.000 0.000 0.260 320 T C -0.016 174.578 174.700 -0.177 0.000 1.039 320 T CA 0.930 62.969 62.100 -0.102 0.000 1.141 320 T CB -0.151 68.623 68.868 -0.155 0.000 0.869 320 T HN 0.077 nan 8.240 nan 0.000 0.437 321 Y N 1.746 122.046 120.300 0.000 0.000 2.350 321 Y HA 0.343 4.893 4.550 -0.000 0.000 0.340 321 Y C 1.342 177.249 175.900 0.013 0.000 1.006 321 Y CA -1.135 56.970 58.100 0.009 0.000 1.166 321 Y CB 0.796 39.264 38.460 0.015 0.000 1.168 321 Y HN 0.109 nan 8.280 nan 0.000 0.502 322 E N 2.312 122.590 120.200 0.130 0.000 2.204 322 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 322 E C 1.258 177.920 176.600 0.103 0.000 0.989 322 E CA 1.299 57.751 56.400 0.086 0.000 0.824 322 E CB 0.134 29.865 29.700 0.051 0.000 0.756 322 E HN 0.767 nan 8.360 nan 0.000 0.477 323 N N 0.560 119.343 118.700 0.138 0.000 2.322 323 N HA -0.030 4.709 4.740 -0.000 0.000 0.194 323 N C -0.189 175.387 175.510 0.109 0.000 1.126 323 N CA 0.026 53.144 53.050 0.113 0.000 0.845 323 N CB 0.278 38.829 38.487 0.106 0.000 0.976 323 N HN 0.101 nan 8.380 nan 0.000 0.475 324 L N 1.044 122.343 121.223 0.127 0.000 2.349 324 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 324 L C -1.532 175.405 176.870 0.113 0.000 0.996 324 L CA -0.514 54.395 54.840 0.115 0.000 0.825 324 L CB 1.609 43.722 42.059 0.090 0.000 1.243 324 L HN -0.099 nan 8.230 nan 0.000 0.412 325 D N 4.518 125.003 120.400 0.141 0.000 2.248 325 D HA 0.497 5.137 4.640 -0.000 0.000 0.246 325 D C -1.197 175.194 176.300 0.151 0.000 1.027 325 D CA -0.197 53.867 54.000 0.108 0.000 0.853 325 D CB 2.820 43.721 40.800 0.167 0.000 1.243 325 D HN 0.425 nan 8.370 nan 0.000 0.462 326 L N 1.739 122.951 121.223 -0.018 0.000 2.362 326 L HA 0.629 4.969 4.340 -0.000 0.000 0.271 326 L C -1.838 174.916 176.870 -0.192 0.000 1.002 326 L CA -0.442 54.443 54.840 0.074 0.000 0.818 326 L CB 1.397 43.489 42.059 0.056 0.000 1.298 326 L HN 0.181 nan 8.230 nan 0.000 0.420 327 F N 3.877 124.015 119.950 0.314 0.000 2.547 327 F HA 0.681 5.207 4.527 -0.000 0.000 0.316 327 F C -0.533 175.506 175.800 0.398 0.000 1.121 327 F CA -0.771 57.419 58.000 0.315 0.000 0.911 327 F CB 2.350 41.588 39.000 0.398 0.000 1.179 327 F HN 0.135 nan 8.300 nan 0.000 0.443 328 V N 3.976 124.120 119.914 0.384 0.000 2.487 328 V HA 0.449 4.568 4.120 -0.000 0.000 0.298 328 V C -0.887 175.354 176.094 0.245 0.000 1.028 328 V CA -0.862 61.647 62.300 0.349 0.000 0.860 328 V CB 1.483 33.402 31.823 0.160 0.000 0.991 328 V HN 0.462 nan 8.190 nan 0.000 0.427 329 F N 3.902 123.995 119.950 0.238 0.000 2.469 329 F HA 0.658 5.185 4.527 -0.000 0.000 0.332 329 F C -0.457 175.491 175.800 0.247 0.000 1.103 329 F CA -0.775 57.381 58.000 0.260 0.000 0.979 329 F CB 1.621 40.773 39.000 0.253 0.000 1.137 329 F HN 0.325 nan 8.300 nan 0.000 0.463 330 Y N 2.625 122.993 120.300 0.115 0.000 2.328 330 Y HA 0.192 4.742 4.550 -0.000 0.000 0.333 330 Y C 0.807 176.664 175.900 -0.072 0.000 0.958 330 Y CA -2.039 55.978 58.100 -0.138 0.000 1.167 330 Y CB 1.189 39.294 38.460 -0.590 0.000 1.151 330 Y HN 0.580 nan 8.280 nan 0.000 0.470 331 D N 0.419 120.893 120.400 0.123 0.000 2.349 331 D HA -0.065 4.575 4.640 -0.000 0.000 0.215 331 D C 0.357 176.674 176.300 0.027 0.000 1.016 331 D CA 0.520 54.576 54.000 0.093 0.000 0.870 331 D CB 0.445 41.297 40.800 0.087 0.000 0.917 331 D HN 0.529 nan 8.370 nan 0.000 0.524 332 Q N 0.325 120.102 119.800 -0.039 0.000 3.316 332 Q HA 0.265 4.604 4.340 -0.000 0.000 0.295 332 Q C -2.799 173.130 176.000 -0.117 0.000 0.805 332 Q CA -1.489 54.279 55.803 -0.059 0.000 0.914 332 Q CB 1.331 30.035 28.738 -0.057 0.000 1.514 332 Q HN -0.067 nan 8.270 nan 0.000 0.387 333 P HA -0.046 nan 4.420 nan 0.000 0.266 333 P C -0.569 176.708 177.300 -0.038 0.000 1.193 333 P CA 0.461 63.484 63.100 -0.128 0.000 0.770 333 P CB 0.658 32.279 31.700 -0.131 0.000 0.836 334 L N 5.337 126.555 121.223 -0.009 0.000 2.439 334 L HA 0.270 4.610 4.340 -0.000 0.000 0.259 334 L C -1.214 175.695 176.870 0.066 0.000 1.129 334 L CA -1.834 53.018 54.840 0.019 0.000 0.803 334 L CB 0.552 42.623 42.059 0.019 0.000 1.161 334 L HN 0.302 nan 8.230 nan 0.000 0.462 335 P HA -0.140 nan 4.420 nan 0.000 0.220 335 P C 0.477 177.821 177.300 0.074 0.000 1.148 335 P CA 1.008 64.145 63.100 0.061 0.000 0.803 335 P CB 0.271 31.996 31.700 0.042 0.000 0.782 336 E N -1.243 119.003 120.200 0.076 0.000 2.385 336 E HA 0.004 4.354 4.350 -0.000 0.000 0.194 336 E C 0.270 176.941 176.600 0.118 0.000 1.013 336 E CA 0.337 56.785 56.400 0.080 0.000 0.866 336 E CB -0.753 28.986 29.700 0.065 0.000 0.832 336 E HN 0.258 nan 8.360 nan 0.000 0.500 337 D N 1.173 121.677 120.400 0.173 0.000 2.401 337 D HA 0.058 4.698 4.640 -0.000 0.000 0.254 337 D C -0.520 175.969 176.300 0.316 0.000 1.192 337 D CA 0.147 54.326 54.000 0.298 0.000 0.885 337 D CB 1.328 42.376 40.800 0.413 0.000 1.147 337 D HN -0.149 nan 8.370 nan 0.000 0.478 338 V N 3.625 123.650 119.914 0.184 0.000 2.347 338 V HA 0.099 4.219 4.120 -0.000 0.000 0.280 338 V C 0.536 176.461 176.094 -0.282 0.000 1.021 338 V CA -0.785 61.519 62.300 0.007 0.000 0.847 338 V CB 1.383 33.189 31.823 -0.028 0.000 0.990 338 V HN 0.443 nan 8.190 nan 0.000 0.444 339 Q N 3.275 122.765 119.800 -0.515 0.000 2.286 339 Q HA 0.338 4.678 4.340 -0.000 0.000 0.290 339 Q C 1.225 176.901 176.000 -0.539 0.000 1.049 339 Q CA 1.298 56.518 55.803 -0.973 0.000 0.923 339 Q CB 0.442 28.776 28.738 -0.673 0.000 1.183 339 Q HN 1.139 nan 8.270 nan 0.000 0.383 340 G N 3.541 112.011 108.800 -0.550 0.000 2.232 340 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.226 340 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.226 340 G C 0.735 175.480 174.900 -0.259 0.000 0.996 340 G CA 0.430 45.322 45.100 -0.346 0.000 0.626 340 G HN 0.685 nan 8.290 nan 0.000 0.509 341 R N -0.366 119.983 120.500 -0.251 0.000 2.191 341 R HA 0.212 4.552 4.340 -0.000 0.000 0.187 341 R C 1.502 177.730 176.300 -0.119 0.000 1.078 341 R CA 0.878 56.887 56.100 -0.150 0.000 1.139 341 R CB 0.048 30.289 30.300 -0.097 0.000 1.120 341 R HN 0.155 nan 8.270 nan 0.000 0.536 342 D N -0.335 120.014 120.400 -0.085 0.000 2.271 342 D HA 0.052 4.692 4.640 -0.000 0.000 0.206 342 D C -0.191 176.066 176.300 -0.072 0.000 0.967 342 D CA 0.930 54.950 54.000 0.034 0.000 0.867 342 D CB 0.405 41.351 40.800 0.243 0.000 0.960 342 D HN 0.301 nan 8.370 nan 0.000 0.509 343 Y N -2.319 117.762 120.300 -0.365 0.000 2.624 343 Y HA 0.409 4.959 4.550 -0.000 0.000 0.334 343 Y C -0.100 175.564 175.900 -0.393 0.000 1.155 343 Y CA -1.017 56.749 58.100 -0.557 0.000 1.046 343 Y CB 0.829 38.640 38.460 -1.083 0.000 1.316 343 Y HN -0.403 nan 8.280 nan 0.000 0.457 344 D N 0.445 120.625 120.400 -0.365 0.000 2.269 344 D HA 0.053 4.693 4.640 -0.000 0.000 0.220 344 D C -0.626 175.125 176.300 -0.914 0.000 0.962 344 D CA 1.524 55.139 54.000 -0.642 0.000 0.884 344 D CB 0.332 40.852 40.800 -0.467 0.000 1.023 344 D HN 0.482 nan 8.370 nan 0.000 0.484 345 Y N 0.055 120.191 120.300 -0.273 0.000 2.512 345 Y HA 0.355 4.905 4.550 -0.000 0.000 0.348 345 Y C -2.253 173.750 175.900 0.172 0.000 0.990 345 Y CA -2.407 55.569 58.100 -0.207 0.000 1.033 345 Y CB 2.355 40.411 38.460 -0.672 0.000 1.259 345 Y HN -0.218 nan 8.280 nan 0.000 0.461 346 P HA 0.432 nan 4.420 nan 0.000 0.281 346 P C 0.171 177.688 177.300 0.362 0.000 1.249 346 P CA 0.341 63.661 63.100 0.366 0.000 0.810 346 P CB 1.893 33.786 31.700 0.321 0.000 1.008 347 G N 0.962 109.927 108.800 0.276 0.000 2.698 347 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.225 347 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.225 347 G C -0.851 174.224 174.900 0.291 0.000 1.345 347 G CA -0.658 44.591 45.100 0.249 0.000 0.871 347 G HN 0.545 nan 8.290 nan 0.000 0.540 348 L N -0.118 121.216 121.223 0.185 0.000 2.436 348 L HA 0.402 4.741 4.340 -0.000 0.000 0.265 348 L C 1.428 178.256 176.870 -0.071 0.000 1.168 348 L CA -0.925 53.987 54.840 0.121 0.000 0.815 348 L CB 0.923 43.054 42.059 0.120 0.000 1.109 348 L HN 0.521 nan 8.230 nan 0.000 0.462 349 V N 1.481 121.240 119.914 -0.258 0.000 2.583 349 V HA -0.120 4.000 4.120 -0.000 0.000 0.302 349 V C -0.044 175.690 176.094 -0.600 0.000 1.033 349 V CA 0.688 62.450 62.300 -0.897 0.000 1.194 349 V CB 0.349 31.945 31.823 -0.377 0.000 0.879 349 V HN 0.686 nan 8.190 nan 0.000 0.482 350 D N 3.848 123.836 120.400 -0.687 0.000 2.473 350 D HA 0.307 4.947 4.640 -0.000 0.000 0.253 350 D C 0.615 176.786 176.300 -0.214 0.000 1.233 350 D CA -0.328 53.510 54.000 -0.269 0.000 0.908 350 D CB 1.879 42.636 40.800 -0.071 0.000 1.170 350 D HN 0.270 nan 8.370 nan 0.000 0.558 351 V N 2.228 122.010 119.914 -0.220 0.000 2.720 351 V HA -0.099 4.021 4.120 -0.000 0.000 0.256 351 V C 1.890 177.896 176.094 -0.148 0.000 1.082 351 V CA 1.093 63.285 62.300 -0.179 0.000 1.101 351 V CB -0.610 31.097 31.823 -0.194 0.000 0.693 351 V HN 0.242 nan 8.190 nan 0.000 0.479 352 K N 0.508 120.829 120.400 -0.132 0.000 2.209 352 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 352 K C 2.336 178.872 176.600 -0.107 0.000 1.048 352 K CA 1.499 57.722 56.287 -0.107 0.000 0.940 352 K CB -0.325 32.123 32.500 -0.086 0.000 0.729 352 K HN 0.668 nan 8.250 nan 0.000 0.451 353 Q N -0.239 119.481 119.800 -0.134 0.000 2.137 353 Q HA 0.015 4.355 4.340 -0.000 0.000 0.198 353 Q C 1.383 177.228 176.000 -0.258 0.000 0.960 353 Q CA 1.114 56.788 55.803 -0.214 0.000 0.847 353 Q CB 0.218 28.734 28.738 -0.370 0.000 0.915 353 Q HN 0.490 nan 8.270 nan 0.000 0.448 354 I N -2.545 117.875 120.570 -0.250 0.000 3.816 354 I HA 0.249 4.418 4.170 -0.000 0.000 0.334 354 I C 1.352 177.347 176.117 -0.204 0.000 1.551 354 I CA -0.114 61.005 61.300 -0.302 0.000 1.153 354 I CB 0.113 37.783 38.000 -0.550 0.000 1.197 354 I HN -0.013 nan 8.210 nan 0.000 0.439 355 E N 2.371 122.492 120.200 -0.132 0.000 2.114 355 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 355 E C 1.571 178.137 176.600 -0.056 0.000 1.008 355 E CA 1.709 58.055 56.400 -0.090 0.000 0.810 355 E CB 0.257 29.910 29.700 -0.077 0.000 0.739 355 E HN 0.429 nan 8.360 nan 0.000 0.456 356 K N -0.048 120.327 120.400 -0.041 0.000 2.097 356 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 356 K C 2.207 178.814 176.600 0.011 0.000 1.049 356 K CA 1.106 57.390 56.287 -0.004 0.000 0.933 356 K CB -0.285 32.227 32.500 0.019 0.000 0.717 356 K HN 0.029 nan 8.250 nan 0.000 0.442 357 S N 0.968 116.656 115.700 -0.019 0.000 2.470 357 S HA -0.024 4.446 4.470 -0.000 0.000 0.225 357 S C 1.869 176.484 174.600 0.024 0.000 1.006 357 S CA 0.753 58.965 58.200 0.019 0.000 0.934 357 S CB -0.096 63.087 63.200 -0.028 0.000 0.778 357 S HN 0.408 nan 8.310 nan 0.000 0.517 358 I N -2.046 118.521 120.570 -0.005 0.000 4.035 358 I HA 0.362 4.532 4.170 -0.000 0.000 0.321 358 I C 0.464 176.667 176.117 0.143 0.000 1.289 358 I CA 0.366 61.712 61.300 0.077 0.000 1.236 358 I CB -0.195 37.855 38.000 0.084 0.000 1.076 358 I HN -0.003 nan 8.210 nan 0.000 0.418 359 L N 3.416 124.683 121.223 0.073 0.000 2.391 359 L HA 0.346 4.686 4.340 -0.000 0.000 0.249 359 L C -0.802 176.108 176.870 0.066 0.000 1.308 359 L CA -0.049 54.836 54.840 0.075 0.000 1.209 359 L CB -0.259 41.804 42.059 0.007 0.000 1.401 359 L HN 0.250 nan 8.230 nan 0.000 0.416 360 L N 4.040 125.313 121.223 0.083 0.000 2.307 360 L HA 0.466 4.806 4.340 -0.000 0.000 0.282 360 L C -1.789 175.103 176.870 0.036 0.000 1.051 360 L CA -2.044 52.822 54.840 0.043 0.000 0.804 360 L CB 1.253 43.324 42.059 0.021 0.000 1.197 360 L HN 0.257 nan 8.230 nan 0.000 0.431 361 P HA -0.004 nan 4.420 nan 0.000 0.264 361 P C -0.500 176.811 177.300 0.018 0.000 1.193 361 P CA 0.192 63.304 63.100 0.020 0.000 0.763 361 P CB 0.762 32.471 31.700 0.016 0.000 0.810 362 D N -0.655 119.760 120.400 0.024 0.000 3.041 362 D HA -0.164 4.476 4.640 -0.000 0.000 0.220 362 D C 0.222 176.525 176.300 0.006 0.000 1.157 362 D CA 1.511 55.527 54.000 0.027 0.000 0.876 362 D CB -1.310 39.505 40.800 0.025 0.000 1.107 362 D HN 0.634 nan 8.370 nan 0.000 0.422 363 A N 0.004 122.810 122.820 -0.025 0.000 2.322 363 A HA 0.495 4.815 4.320 -0.000 0.000 0.269 363 A C 0.214 177.667 177.584 -0.218 0.000 1.094 363 A CA -0.149 51.789 52.037 -0.166 0.000 0.807 363 A CB 0.817 19.620 19.000 -0.329 0.000 1.047 363 A HN 0.115 nan 8.150 nan 0.000 0.487 364 D N -0.105 120.130 120.400 -0.275 0.000 2.248 364 D HA 0.483 5.123 4.640 -0.000 0.000 0.246 364 D C -1.501 174.498 176.300 -0.501 0.000 1.027 364 D CA 0.363 54.245 54.000 -0.196 0.000 0.853 364 D CB 1.368 42.165 40.800 -0.005 0.000 1.243 364 D HN 0.424 nan 8.370 nan 0.000 0.462 365 Y N 1.117 121.288 120.300 -0.216 0.000 2.352 365 Y HA 0.342 4.892 4.550 -0.000 0.000 0.339 365 Y C -0.494 175.226 175.900 -0.301 0.000 0.992 365 Y CA -0.808 57.192 58.100 -0.167 0.000 1.100 365 Y CB 1.113 39.510 38.460 -0.105 0.000 1.192 365 Y HN 0.214 nan 8.280 nan 0.000 0.458 366 Y N 3.687 124.173 120.300 0.309 0.000 2.326 366 Y HA 0.620 5.170 4.550 -0.000 0.000 0.331 366 Y C -0.459 175.680 175.900 0.398 0.000 0.962 366 Y CA -0.963 57.381 58.100 0.406 0.000 1.167 366 Y CB 1.125 39.689 38.460 0.173 0.000 1.148 366 Y HN 0.385 nan 8.280 nan 0.000 0.463 367 I N 4.309 125.209 120.570 0.550 0.000 2.474 367 I HA 0.665 4.835 4.170 -0.000 0.000 0.294 367 I C -0.500 175.816 176.117 0.332 0.000 1.005 367 I CA -0.777 60.739 61.300 0.359 0.000 1.113 367 I CB 1.393 39.495 38.000 0.170 0.000 1.289 367 I HN 0.695 nan 8.210 nan 0.000 0.436 368 C N 2.911 122.417 119.300 0.345 0.000 3.090 368 C HA 1.063 5.523 4.460 -0.000 0.000 0.305 368 C C 0.110 175.237 174.990 0.228 0.000 1.292 368 C CA -0.131 59.049 59.018 0.270 0.000 1.482 368 C CB 0.958 28.941 27.740 0.405 0.000 1.897 368 C HN 1.261 nan 8.230 nan 0.000 0.469 369 G N 1.250 110.108 108.800 0.098 0.000 2.302 369 G HA2 0.401 4.361 3.960 -0.000 0.000 0.276 369 G HA3 0.401 4.361 3.960 -0.000 0.000 0.276 369 G C -3.568 171.249 174.900 -0.137 0.000 1.316 369 G CA -0.692 44.338 45.100 -0.116 0.000 0.988 369 G HN 0.650 nan 8.290 nan 0.000 0.479 370 P HA 0.319 nan 4.420 nan 0.000 0.268 370 P C 1.216 178.526 177.300 0.016 0.000 1.208 370 P CA -0.249 62.705 63.100 -0.243 0.000 0.777 370 P CB 0.477 32.021 31.700 -0.260 0.000 0.875 371 I N 3.675 124.269 120.570 0.039 0.000 2.208 371 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 371 I C -0.735 175.404 176.117 0.037 0.000 1.097 371 I CA 1.906 63.242 61.300 0.061 0.000 1.363 371 I CB -1.484 36.560 38.000 0.075 0.000 1.051 371 I HN 0.451 nan 8.210 nan 0.000 0.413 372 P HA -0.209 nan 4.420 nan 0.000 0.216 372 P C 1.688 179.000 177.300 0.019 0.000 1.150 372 P CA 1.395 64.518 63.100 0.038 0.000 0.837 372 P CB -0.087 31.658 31.700 0.076 0.000 0.786 373 F N -0.243 119.657 119.950 -0.083 0.000 2.102 373 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 373 F C 2.149 177.854 175.800 -0.159 0.000 1.105 373 F CA 1.683 59.619 58.000 -0.106 0.000 1.239 373 F CB -0.698 38.242 39.000 -0.100 0.000 0.991 373 F HN -0.238 nan 8.300 nan 0.000 0.474 374 M N -0.163 119.377 119.600 -0.100 0.000 2.159 374 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 374 M C 2.278 178.187 176.300 -0.650 0.000 1.063 374 M CA 1.750 56.829 55.300 -0.368 0.000 1.110 374 M CB -0.484 31.961 32.600 -0.259 0.000 1.374 374 M HN 0.094 nan 8.290 nan 0.000 0.411 375 R N -0.008 120.203 120.500 -0.480 0.000 2.075 375 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 375 R C 2.281 178.417 176.300 -0.274 0.000 1.126 375 R CA 1.575 57.436 56.100 -0.397 0.000 0.963 375 R CB -0.437 29.740 30.300 -0.206 0.000 0.858 375 R HN 0.430 nan 8.270 nan 0.000 0.435 376 M N 0.696 120.126 119.600 -0.283 0.000 2.117 376 M HA -0.208 4.272 4.480 -0.000 0.000 0.262 376 M C 1.698 177.797 176.300 -0.334 0.000 1.065 376 M CA 1.665 56.804 55.300 -0.268 0.000 1.114 376 M CB 0.104 32.546 32.600 -0.264 0.000 1.361 376 M HN 0.002 nan 8.290 nan 0.000 0.408 377 Q N -0.456 119.051 119.800 -0.489 0.000 2.083 377 Q HA -0.201 4.139 4.340 -0.000 0.000 0.198 377 Q C 2.171 177.971 176.000 -0.334 0.000 0.969 377 Q CA 1.712 57.236 55.803 -0.465 0.000 0.838 377 Q CB -1.089 27.287 28.738 -0.604 0.000 0.900 377 Q HN 0.743 nan 8.270 nan 0.000 0.436 378 H N 1.669 120.492 119.070 -0.412 0.000 2.319 378 H HA -0.141 4.415 4.556 -0.000 0.000 0.299 378 H C 0.832 176.013 175.328 -0.245 0.000 1.092 378 H CA 1.805 57.663 56.048 -0.316 0.000 1.302 378 H CB 0.298 29.842 29.762 -0.364 0.000 1.373 378 H HN 0.128 nan 8.280 nan 0.000 0.497 379 D N 0.735 121.089 120.400 -0.076 0.000 2.144 379 D HA -0.061 4.579 4.640 -0.000 0.000 0.200 379 D C 2.333 178.504 176.300 -0.216 0.000 0.978 379 D CA 1.287 55.222 54.000 -0.109 0.000 0.833 379 D CB -0.563 40.214 40.800 -0.039 0.000 0.961 379 D HN 0.512 nan 8.370 nan 0.000 0.470 380 A N 0.647 123.326 122.820 -0.236 0.000 1.933 380 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 380 A C 2.355 179.770 177.584 -0.280 0.000 1.175 380 A CA 0.887 52.782 52.037 -0.237 0.000 0.628 380 A CB -0.721 18.131 19.000 -0.247 0.000 0.814 380 A HN 0.201 nan 8.150 nan 0.000 0.444 381 L N -0.845 120.161 121.223 -0.362 0.000 2.056 381 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 381 L C 2.514 179.147 176.870 -0.394 0.000 1.078 381 L CA 1.119 55.693 54.840 -0.443 0.000 0.749 381 L CB -0.388 41.318 42.059 -0.590 0.000 0.901 381 L HN 0.215 nan 8.230 nan 0.000 0.433 382 K N 0.104 120.265 120.400 -0.399 0.000 2.097 382 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 382 K C 1.729 178.201 176.600 -0.214 0.000 1.049 382 K CA 1.030 57.130 56.287 -0.311 0.000 0.933 382 K CB -0.544 31.768 32.500 -0.313 0.000 0.717 382 K HN 0.317 nan 8.250 nan 0.000 0.442 383 N N 0.960 119.541 118.700 -0.199 0.000 2.520 383 N HA -0.079 4.661 4.740 -0.000 0.000 0.185 383 N C 1.445 176.866 175.510 -0.148 0.000 1.068 383 N CA 0.578 53.538 53.050 -0.150 0.000 0.911 383 N CB 0.054 38.460 38.487 -0.135 0.000 0.961 383 N HN 0.217 nan 8.380 nan 0.000 0.446 384 L N -0.966 120.146 121.223 -0.184 0.000 2.607 384 L HA 0.209 4.549 4.340 -0.000 0.000 0.228 384 L C 1.143 177.913 176.870 -0.167 0.000 1.123 384 L CA 0.115 54.854 54.840 -0.169 0.000 0.890 384 L CB 0.035 41.976 42.059 -0.196 0.000 1.103 384 L HN 0.137 nan 8.230 nan 0.000 0.468 385 G N 0.382 109.076 108.800 -0.176 0.000 2.157 385 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.239 385 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.239 385 G C 0.195 174.934 174.900 -0.268 0.000 0.982 385 G CA -0.554 44.439 45.100 -0.178 0.000 0.650 385 G HN 0.107 nan 8.290 nan 0.000 0.527 386 I N 2.531 122.933 120.570 -0.280 0.000 2.496 386 I HA 0.255 4.425 4.170 -0.000 0.000 0.285 386 I C 0.950 176.932 176.117 -0.224 0.000 1.080 386 I CA -0.934 60.183 61.300 -0.305 0.000 1.404 386 I CB 0.088 37.864 38.000 -0.374 0.000 1.403 386 I HN 0.092 nan 8.210 nan 0.000 0.539 387 H N 4.417 123.433 119.070 -0.089 0.000 2.790 387 H HA -0.003 4.553 4.556 -0.000 0.000 0.358 387 H C 1.001 176.270 175.328 -0.099 0.000 1.103 387 H CA -0.033 55.968 56.048 -0.078 0.000 1.426 387 H CB 0.678 30.414 29.762 -0.043 0.000 1.424 387 H HN 0.501 nan 8.280 nan 0.000 0.599 388 E N 2.844 123.081 120.200 0.061 0.000 2.097 388 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 388 E C 1.879 178.460 176.600 -0.033 0.000 1.000 388 E CA 1.723 58.131 56.400 0.014 0.000 0.804 388 E CB -0.176 29.553 29.700 0.049 0.000 0.740 388 E HN 0.725 nan 8.360 nan 0.000 0.454 389 A N 0.053 122.865 122.820 -0.013 0.000 2.125 389 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 389 A C 1.598 179.115 177.584 -0.111 0.000 1.156 389 A CA 1.178 53.191 52.037 -0.040 0.000 0.671 389 A CB -0.270 18.733 19.000 0.006 0.000 0.794 389 A HN 0.063 nan 8.150 nan 0.000 0.459 390 R N -0.667 119.774 120.500 -0.098 0.000 2.362 390 R HA 0.383 4.723 4.340 -0.000 0.000 0.227 390 R C -0.275 175.869 176.300 -0.259 0.000 0.905 390 R CA 0.022 56.071 56.100 -0.084 0.000 1.067 390 R CB -0.379 29.977 30.300 0.093 0.000 1.078 390 R HN 0.481 nan 8.270 nan 0.000 0.516 391 I N 1.920 122.237 120.570 -0.421 0.000 2.377 391 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 391 I C -0.201 175.628 176.117 -0.479 0.000 0.987 391 I CA -0.543 60.585 61.300 -0.287 0.000 1.185 391 I CB 1.333 39.267 38.000 -0.109 0.000 1.341 391 I HN -0.032 nan 8.210 nan 0.000 0.455 392 H N 6.590 125.721 119.070 0.102 0.000 2.782 392 H HA 0.449 5.005 4.556 -0.000 0.000 0.347 392 H C -1.502 174.095 175.328 0.448 0.000 1.038 392 H CA -0.602 55.573 56.048 0.213 0.000 1.255 392 H CB 2.053 31.880 29.762 0.108 0.000 1.623 392 H HN 0.602 nan 8.280 nan 0.000 0.525 393 Y N -0.002 120.423 120.300 0.208 0.000 2.571 393 Y HA 0.672 5.222 4.550 -0.000 0.000 0.341 393 Y C -1.129 174.523 175.900 -0.412 0.000 1.076 393 Y CA -1.006 57.011 58.100 -0.138 0.000 1.029 393 Y CB 2.186 40.615 38.460 -0.051 0.000 1.308 393 Y HN 0.548 nan 8.280 nan 0.000 0.461 394 E N 0.532 120.350 120.200 -0.637 0.000 2.396 394 E HA 0.481 4.831 4.350 -0.000 0.000 0.280 394 E C -2.112 174.322 176.600 -0.277 0.000 1.065 394 E CA -0.770 55.332 56.400 -0.496 0.000 0.831 394 E CB 2.181 31.542 29.700 -0.566 0.000 1.272 394 E HN 0.719 nan 8.360 nan 0.000 0.443 395 V N 3.561 123.413 119.914 -0.103 0.000 2.529 395 V HA 0.210 4.330 4.120 -0.000 0.000 0.292 395 V C 0.032 176.211 176.094 0.142 0.000 1.028 395 V CA 0.521 62.828 62.300 0.011 0.000 1.074 395 V CB -0.103 31.711 31.823 -0.014 0.000 0.958 395 V HN 0.575 nan 8.190 nan 0.000 0.481 396 F N 4.904 124.860 119.950 0.008 0.000 2.513 396 F HA 0.642 5.169 4.527 -0.000 0.000 0.358 396 F C 0.554 176.426 175.800 0.120 0.000 1.118 396 F CA 0.177 58.246 58.000 0.114 0.000 1.037 396 F CB 0.983 40.104 39.000 0.202 0.000 1.276 396 F HN 0.848 nan 8.300 nan 0.000 0.446 397 G N 5.990 114.922 108.800 0.219 0.000 2.710 397 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.668 397 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.668 397 G C -2.439 172.520 174.900 0.098 0.000 1.320 397 G CA -0.451 44.678 45.100 0.048 0.000 0.860 397 G HN 0.443 nan 8.290 nan 0.000 0.538 398 P HA 0.124 nan 4.420 nan 0.000 0.224 398 P C 0.105 177.478 177.300 0.121 0.000 1.157 398 P CA 1.448 64.629 63.100 0.135 0.000 0.799 398 P CB 0.397 32.182 31.700 0.142 0.000 0.809 399 D N 0.181 120.632 120.400 0.085 0.000 2.420 399 D HA 0.209 4.849 4.640 -0.000 0.000 0.255 399 D C 0.794 177.115 176.300 0.034 0.000 1.185 399 D CA -0.436 53.630 54.000 0.110 0.000 0.904 399 D CB 0.676 41.541 40.800 0.107 0.000 1.102 399 D HN -0.079 nan 8.370 nan 0.000 0.534 400 L N 2.464 123.655 121.223 -0.054 0.000 2.645 400 L HA 0.201 4.541 4.340 -0.000 0.000 0.235 400 L C 0.383 176.837 176.870 -0.693 0.000 1.150 400 L CA 0.265 54.886 54.840 -0.365 0.000 0.911 400 L CB -0.271 41.490 42.059 -0.495 0.000 1.077 400 L HN 0.281 nan 8.230 nan 0.000 0.438 401 F N -1.502 118.444 119.950 -0.006 0.000 2.815 401 F HA 0.370 4.897 4.527 -0.000 0.000 0.335 401 F C 1.749 177.542 175.800 -0.012 0.000 1.179 401 F CA -0.207 57.780 58.000 -0.022 0.000 1.204 401 F CB -0.150 38.840 39.000 -0.016 0.000 1.050 401 F HN -0.069 nan 8.300 nan 0.000 0.510 402 A N 0.077 122.960 122.820 0.104 0.000 1.851 402 A HA -0.147 4.172 4.320 -0.000 0.000 0.216 402 A C 1.197 178.826 177.584 0.075 0.000 1.195 402 A CA 1.776 53.864 52.037 0.084 0.000 0.622 402 A CB -0.277 18.759 19.000 0.059 0.000 0.831 402 A HN 0.470 nan 8.150 nan 0.000 0.444 403 E N 0.000 120.247 120.200 0.078 0.000 2.725 403 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 403 E CA 0.000 56.448 56.400 0.080 0.000 0.976 403 E CB 0.000 29.802 29.700 0.170 0.000 0.812 403 E HN 0.000 nan 8.360 nan 0.000 0.440