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 3ohk_1_Z DATA FIRST_RESID 3 DATA SEQUENCE YRLKAYYREG EKPSALRRAG KLPGVMYNRH LNRKVYVDLV EFDKVFRQAS DATA SEQUENCE IHHVIVLELP DGQSLPTLVR QVNLDKRRRR PEHVDFFVLS DEPVEMYVPL DATA SEQUENCE RFVGTPAGVR AGGVLQEIHR DILVKVSPRN IPEFIEVDVS GLEIGDSLHA DATA SEQUENCE SDLKLPPGVE LAVSPEETIA AVVPPED 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.858 175.900 -0.069 0.000 1.272 3 Y CA 0.000 58.067 58.100 -0.055 0.000 1.940 3 Y CB 0.000 38.427 38.460 -0.055 0.000 1.050 4 R N 3.124 123.685 120.500 0.102 0.000 2.837 4 R HA 0.886 5.226 4.340 0.000 0.000 0.271 4 R C -1.743 174.556 176.300 -0.002 0.000 0.993 4 R CA -1.255 54.850 56.100 0.009 0.000 0.931 4 R CB 3.118 33.408 30.300 -0.016 0.000 1.206 4 R HN 0.600 nan 8.270 nan 0.000 0.474 5 L N 1.630 122.826 121.223 -0.044 0.000 2.700 5 L HA 0.242 4.582 4.340 0.000 0.000 0.255 5 L C -1.148 175.682 176.870 -0.067 0.000 0.933 5 L CA -1.057 53.771 54.840 -0.021 0.000 0.920 5 L CB 2.356 44.435 42.059 0.033 0.000 1.472 5 L HN 0.486 nan 8.230 nan 0.000 0.426 6 K N 0.941 121.302 120.400 -0.066 0.000 2.552 6 K HA 0.158 4.478 4.320 0.000 0.000 0.276 6 K C 0.492 176.959 176.600 -0.222 0.000 0.960 6 K CA 1.170 57.319 56.287 -0.231 0.000 0.961 6 K CB 0.485 32.869 32.500 -0.193 0.000 0.902 6 K HN 0.682 nan 8.250 nan 0.000 0.515 7 A N 1.629 124.146 122.820 -0.506 0.000 2.010 7 A HA 0.201 4.521 4.320 0.000 0.000 0.193 7 A C -0.914 176.515 177.584 -0.258 0.000 1.659 7 A CA -0.202 51.697 52.037 -0.231 0.000 1.175 7 A CB -0.236 18.664 19.000 -0.166 0.000 1.301 7 A HN 0.692 nan 8.150 nan 0.000 0.448 8 Y N -0.424 119.675 120.300 -0.335 0.000 2.562 8 Y HA -0.272 4.278 4.550 0.000 0.000 0.040 8 Y C 0.017 175.726 175.900 -0.318 0.000 1.750 8 Y CA 0.345 58.147 58.100 -0.497 0.000 1.377 8 Y CB -1.802 36.089 38.460 -0.948 0.000 2.024 8 Y HN 0.448 nan 8.280 nan 0.000 0.263 9 Y N 2.774 123.053 120.300 -0.036 0.000 2.336 9 Y HA 0.317 4.867 4.550 0.000 0.000 0.331 9 Y C 1.025 177.042 175.900 0.195 0.000 1.211 9 Y CA -0.923 57.212 58.100 0.058 0.000 1.346 9 Y CB 0.905 39.407 38.460 0.069 0.000 1.271 9 Y HN 0.446 nan 8.280 nan 0.000 0.538 10 R N 2.204 122.932 120.500 0.381 0.000 2.343 10 R HA 0.134 4.474 4.340 0.000 0.000 0.320 10 R C -0.287 176.142 176.300 0.215 0.000 0.956 10 R CA -0.541 55.781 56.100 0.369 0.000 0.836 10 R CB 1.115 31.644 30.300 0.382 0.000 1.151 10 R HN 0.748 nan 8.270 nan 0.000 0.450 11 E N 2.135 122.448 120.200 0.187 0.000 2.478 11 E HA 0.077 4.427 4.350 0.000 0.000 0.198 11 E C 0.643 177.295 176.600 0.086 0.000 1.046 11 E CA 0.762 57.236 56.400 0.123 0.000 0.870 11 E CB 0.251 30.017 29.700 0.109 0.000 0.818 11 E HN 0.920 nan 8.360 nan 0.000 0.527 12 G N 0.960 109.816 108.800 0.093 0.000 2.643 12 G HA2 -0.254 3.706 3.960 0.000 0.000 0.280 12 G HA3 -0.254 3.706 3.960 0.000 0.000 0.280 12 G C -0.724 174.202 174.900 0.043 0.000 1.120 12 G CA -0.288 44.850 45.100 0.064 0.000 1.165 12 G HN 0.198 nan 8.290 nan 0.000 0.540 13 E N 0.649 120.871 120.200 0.037 0.000 2.283 13 E HA 0.432 4.783 4.350 0.000 0.000 0.258 13 E C 0.075 176.670 176.600 -0.009 0.000 0.893 13 E CA -1.043 55.364 56.400 0.013 0.000 0.798 13 E CB 0.999 30.706 29.700 0.012 0.000 1.242 13 E HN 0.486 nan 8.360 nan 0.000 0.414 14 K N 2.315 122.708 120.400 -0.011 0.000 5.230 14 K HA -0.184 4.136 4.320 0.000 0.000 0.331 14 K C -2.266 174.316 176.600 -0.029 0.000 0.863 14 K CA -0.180 56.094 56.287 -0.022 0.000 1.030 14 K CB -0.661 31.822 32.500 -0.028 0.000 1.845 14 K HN 0.357 nan 8.250 nan 0.000 0.404 15 P HA -0.285 nan 4.420 nan 0.000 0.217 15 P C 1.416 178.698 177.300 -0.030 0.000 1.148 15 P CA 1.892 64.983 63.100 -0.014 0.000 0.828 15 P CB 0.143 31.840 31.700 -0.005 0.000 0.783 16 S N -0.624 115.057 115.700 -0.032 0.000 2.368 16 S HA -0.121 4.349 4.470 0.000 0.000 0.224 16 S C 2.126 176.698 174.600 -0.046 0.000 1.029 16 S CA 1.086 59.264 58.200 -0.036 0.000 0.988 16 S CB -1.494 61.688 63.200 -0.030 0.000 0.838 16 S HN 0.130 nan 8.310 nan 0.000 0.462 17 A N 2.447 125.236 122.820 -0.051 0.000 1.873 17 A HA -0.039 4.281 4.320 0.000 0.000 0.218 17 A C 2.205 179.734 177.584 -0.091 0.000 1.193 17 A CA 1.848 53.846 52.037 -0.064 0.000 0.629 17 A CB -1.100 17.862 19.000 -0.064 0.000 0.826 17 A HN 0.431 nan 8.150 nan 0.000 0.447 18 L N -0.424 120.729 121.223 -0.117 0.000 1.933 18 L HA -0.231 4.109 4.340 0.000 0.000 0.220 18 L C 2.683 179.488 176.870 -0.107 0.000 1.078 18 L CA 2.554 57.296 54.840 -0.164 0.000 0.773 18 L CB -1.152 40.798 42.059 -0.181 0.000 0.890 18 L HN 0.406 nan 8.230 nan 0.000 0.434 19 R N -0.790 119.667 120.500 -0.071 0.000 2.117 19 R HA -0.205 4.135 4.340 0.000 0.000 0.243 19 R C 2.271 178.541 176.300 -0.049 0.000 1.143 19 R CA 1.617 57.685 56.100 -0.053 0.000 0.968 19 R CB -0.630 29.645 30.300 -0.043 0.000 0.863 19 R HN 0.341 nan 8.270 nan 0.000 0.444 20 R N 0.897 121.367 120.500 -0.050 0.000 2.148 20 R HA -0.009 4.331 4.340 0.000 0.000 0.227 20 R C 1.623 177.896 176.300 -0.045 0.000 1.103 20 R CA 1.365 57.440 56.100 -0.042 0.000 0.983 20 R CB -0.112 30.164 30.300 -0.040 0.000 0.874 20 R HN 0.283 nan 8.270 nan 0.000 0.451 21 A N -0.205 122.578 122.820 -0.062 0.000 2.238 21 A HA 0.236 4.556 4.320 0.000 0.000 0.208 21 A C 1.308 178.861 177.584 -0.052 0.000 1.177 21 A CA 0.615 52.614 52.037 -0.064 0.000 0.804 21 A CB -0.206 18.737 19.000 -0.096 0.000 0.823 21 A HN 0.601 nan 8.150 nan 0.000 0.482 22 G N -1.001 107.775 108.800 -0.041 0.000 2.157 22 G HA2 -0.211 3.749 3.960 0.000 0.000 0.248 22 G HA3 -0.211 3.749 3.960 0.000 0.000 0.248 22 G C 0.184 175.078 174.900 -0.010 0.000 0.979 22 G CA 0.456 45.545 45.100 -0.019 0.000 0.650 22 G HN 0.397 nan 8.290 nan 0.000 0.529 23 K N -0.573 119.804 120.400 -0.038 0.000 2.132 23 K HA 0.837 5.157 4.320 0.000 0.000 0.241 23 K C -0.189 176.408 176.600 -0.006 0.000 1.000 23 K CA -1.284 54.997 56.287 -0.011 0.000 0.911 23 K CB 1.530 33.953 32.500 -0.128 0.000 1.093 23 K HN 0.614 nan 8.250 nan 0.000 0.460 24 L N 2.627 123.879 121.223 0.049 0.000 2.457 24 L HA 0.399 4.739 4.340 0.000 0.000 0.266 24 L C -2.647 174.247 176.870 0.041 0.000 0.979 24 L CA -1.760 53.068 54.840 -0.021 0.000 0.857 24 L CB 1.731 43.706 42.059 -0.140 0.000 1.213 24 L HN 0.323 nan 8.230 nan 0.000 0.418 25 P HA 0.492 nan 4.420 nan 0.000 0.271 25 P C -0.265 177.023 177.300 -0.020 0.000 1.233 25 P CA 0.176 63.349 63.100 0.121 0.000 0.789 25 P CB 1.288 33.074 31.700 0.143 0.000 0.951 26 G N -1.390 107.396 108.800 -0.023 0.000 2.428 26 G HA2 0.478 4.438 3.960 0.000 0.000 0.304 26 G HA3 0.478 4.438 3.960 0.000 0.000 0.304 26 G C -2.064 172.808 174.900 -0.046 0.000 1.303 26 G CA -0.330 44.523 45.100 -0.412 0.000 0.825 26 G HN 0.554 nan 8.290 nan 0.000 0.484 27 V N 0.312 120.206 119.914 -0.033 0.000 3.048 27 V HA 0.774 4.894 4.120 0.000 0.000 0.303 27 V C -0.892 175.388 176.094 0.309 0.000 1.214 27 V CA -0.713 61.722 62.300 0.224 0.000 0.984 27 V CB 2.121 34.133 31.823 0.316 0.000 1.054 27 V HN 1.142 nan 8.190 nan 0.000 0.430 28 M N 5.749 125.549 119.600 0.332 0.000 2.393 28 M HA 0.899 5.379 4.480 0.000 0.000 0.316 28 M C -1.429 175.057 176.300 0.310 0.000 1.087 28 M CA -0.519 54.947 55.300 0.276 0.000 0.937 28 M CB 1.981 34.730 32.600 0.248 0.000 1.668 28 M HN 0.686 nan 8.290 nan 0.000 0.438 29 Y N 0.085 120.523 120.300 0.229 0.000 2.521 29 Y HA 0.716 5.267 4.550 0.000 0.000 0.328 29 Y C -1.861 174.243 175.900 0.340 0.000 1.151 29 Y CA -1.112 57.110 58.100 0.203 0.000 1.054 29 Y CB 0.936 39.475 38.460 0.132 0.000 1.338 29 Y HN 0.978 nan 8.280 nan 0.000 0.453 30 N N 1.740 120.672 118.700 0.387 0.000 3.204 30 N HA 0.256 4.996 4.740 0.000 0.000 0.285 30 N C 0.205 175.872 175.510 0.261 0.000 1.536 30 N CA -0.990 52.340 53.050 0.467 0.000 0.832 30 N CB 1.713 40.352 38.487 0.254 0.000 1.645 30 N HN 0.942 nan 8.380 nan 0.000 0.586 31 R N -0.386 120.179 120.500 0.107 0.000 2.316 31 R HA -0.101 4.239 4.340 0.000 0.000 0.232 31 R C 0.142 176.251 176.300 -0.318 0.000 1.137 31 R CA 1.465 57.469 56.100 -0.159 0.000 1.012 31 R CB -0.560 29.581 30.300 -0.266 0.000 0.859 31 R HN 0.576 nan 8.270 nan 0.000 0.474 32 H N -1.313 117.828 119.070 0.120 0.000 3.017 32 H HA 0.213 4.769 4.556 0.000 0.000 0.255 32 H C -0.144 175.234 175.328 0.084 0.000 0.990 32 H CA -0.341 55.756 56.048 0.082 0.000 1.205 32 H CB 0.554 30.352 29.762 0.059 0.000 1.460 32 H HN 0.073 nan 8.280 nan 0.000 0.478 33 L N 1.938 123.289 121.223 0.214 0.000 2.334 33 L HA 0.416 4.756 4.340 0.000 0.000 0.273 33 L C -0.409 176.574 176.870 0.188 0.000 1.013 33 L CA -0.541 54.400 54.840 0.169 0.000 0.816 33 L CB 1.828 43.979 42.059 0.153 0.000 1.278 33 L HN 0.056 nan 8.230 nan 0.000 0.431 34 N N 3.444 122.228 118.700 0.139 0.000 2.594 34 N HA 0.320 5.060 4.740 0.000 0.000 0.280 34 N C -1.611 173.950 175.510 0.085 0.000 1.156 34 N CA -0.431 52.715 53.050 0.159 0.000 0.831 34 N CB 1.363 39.915 38.487 0.108 0.000 1.379 34 N HN 0.438 nan 8.380 nan 0.000 0.536 35 R N 2.536 123.096 120.500 0.100 0.000 2.409 35 R HA 0.285 4.625 4.340 0.000 0.000 0.313 35 R C -0.354 175.983 176.300 0.061 0.000 0.953 35 R CA -0.560 55.533 56.100 -0.012 0.000 0.849 35 R CB 1.369 31.592 30.300 -0.127 0.000 1.171 35 R HN 0.423 nan 8.270 nan 0.000 0.458 36 K N 2.583 123.008 120.400 0.043 0.000 2.436 36 K HA 0.100 4.420 4.320 0.000 0.000 0.282 36 K C 0.631 177.326 176.600 0.158 0.000 1.044 36 K CA 0.103 56.459 56.287 0.116 0.000 1.028 36 K CB 0.507 33.068 32.500 0.102 0.000 0.919 36 K HN 0.392 nan 8.250 nan 0.000 0.474 37 V N 1.235 121.283 119.914 0.223 0.000 3.856 37 V HA 0.703 4.823 4.120 0.000 0.000 0.302 37 V C -1.341 174.963 176.094 0.349 0.000 1.389 37 V CA -0.978 61.481 62.300 0.266 0.000 0.964 37 V CB 1.119 33.095 31.823 0.255 0.000 1.227 37 V HN 0.773 nan 8.190 nan 0.000 0.474 38 Y N -0.776 119.672 120.300 0.245 0.000 2.288 38 Y HA 0.702 5.252 4.550 0.000 0.000 0.319 38 Y C -1.002 175.059 175.900 0.267 0.000 1.349 38 Y CA -0.658 57.556 58.100 0.191 0.000 1.287 38 Y CB -0.045 38.495 38.460 0.134 0.000 1.296 38 Y HN 1.057 nan 8.280 nan 0.000 0.431 39 V N -0.405 119.735 119.914 0.377 0.000 3.653 39 V HA 0.669 4.789 4.120 0.000 0.000 0.281 39 V C -0.618 175.705 176.094 0.382 0.000 1.132 39 V CA -0.144 62.388 62.300 0.386 0.000 0.915 39 V CB 1.707 33.813 31.823 0.471 0.000 1.241 39 V HN 0.904 nan 8.190 nan 0.000 0.441 40 D N -0.675 119.920 120.400 0.326 0.000 2.425 40 D HA 0.362 5.002 4.640 0.000 0.000 0.240 40 D C 0.906 177.335 176.300 0.215 0.000 1.080 40 D CA -0.373 53.767 54.000 0.232 0.000 0.836 40 D CB 1.716 42.636 40.800 0.200 0.000 1.125 40 D HN 0.650 nan 8.370 nan 0.000 0.525 41 L N 3.249 124.550 121.223 0.131 0.000 2.012 41 L HA -0.317 4.023 4.340 0.000 0.000 0.236 41 L C 2.544 179.518 176.870 0.173 0.000 1.099 41 L CA 2.035 56.940 54.840 0.108 0.000 0.821 41 L CB -0.617 41.468 42.059 0.043 0.000 0.918 41 L HN 0.427 nan 8.230 nan 0.000 0.445 42 V N -0.398 119.592 119.914 0.125 0.000 2.222 42 V HA -0.415 3.705 4.120 0.000 0.000 0.252 42 V C 2.280 178.465 176.094 0.153 0.000 1.060 42 V CA 2.646 65.017 62.300 0.118 0.000 1.027 42 V CB -0.465 31.410 31.823 0.086 0.000 0.644 42 V HN 0.600 nan 8.190 nan 0.000 0.448 43 E N -0.862 119.438 120.200 0.167 0.000 2.049 43 E HA -0.267 4.083 4.350 0.000 0.000 0.198 43 E C 2.018 178.744 176.600 0.211 0.000 1.007 43 E CA 1.963 58.466 56.400 0.172 0.000 0.809 43 E CB -0.416 29.393 29.700 0.183 0.000 0.749 43 E HN 0.787 nan 8.360 nan 0.000 0.450 44 F N 2.016 122.045 119.950 0.131 0.000 2.161 44 F HA -0.230 4.297 4.527 0.000 0.000 0.300 44 F C 1.814 177.713 175.800 0.165 0.000 1.089 44 F CA 1.969 60.069 58.000 0.168 0.000 1.282 44 F CB -0.235 38.873 39.000 0.180 0.000 1.010 44 F HN -0.050 nan 8.300 nan 0.000 0.485 45 D N 0.113 120.753 120.400 0.401 0.000 2.095 45 D HA -0.210 4.430 4.640 0.000 0.000 0.192 45 D C 2.175 178.545 176.300 0.116 0.000 0.990 45 D CA 2.119 56.282 54.000 0.272 0.000 0.836 45 D CB -0.163 40.760 40.800 0.205 0.000 0.979 45 D HN 0.216 nan 8.370 nan 0.000 0.447 46 K N -0.237 120.218 120.400 0.092 0.000 2.066 46 K HA -0.259 4.061 4.320 0.000 0.000 0.221 46 K C 2.156 178.747 176.600 -0.015 0.000 1.056 46 K CA 1.944 58.259 56.287 0.048 0.000 0.950 46 K CB -0.747 31.786 32.500 0.055 0.000 0.726 46 K HN 0.089 nan 8.250 nan 0.000 0.456 47 V N 0.983 120.859 119.914 -0.063 0.000 2.215 47 V HA -0.288 3.832 4.120 0.000 0.000 0.246 47 V C 2.041 177.959 176.094 -0.294 0.000 1.047 47 V CA 2.238 64.414 62.300 -0.207 0.000 0.999 47 V CB -0.665 31.016 31.823 -0.237 0.000 0.635 47 V HN 0.247 nan 8.190 nan 0.000 0.450 48 F N 0.969 120.643 119.950 -0.460 0.000 2.120 48 F HA -0.203 4.324 4.527 0.000 0.000 0.300 48 F C 2.644 178.342 175.800 -0.170 0.000 1.095 48 F CA 1.718 59.480 58.000 -0.397 0.000 1.249 48 F CB -0.350 38.334 39.000 -0.526 0.000 0.995 48 F HN -0.037 nan 8.300 nan 0.000 0.480 49 R N 0.340 120.948 120.500 0.180 0.000 2.113 49 R HA -0.219 4.121 4.340 0.000 0.000 0.244 49 R C 2.118 178.434 176.300 0.027 0.000 1.142 49 R CA 2.258 58.447 56.100 0.149 0.000 0.953 49 R CB -0.974 29.384 30.300 0.096 0.000 0.860 49 R HN 0.500 nan 8.270 nan 0.000 0.438 50 Q N -1.136 118.610 119.800 -0.090 0.000 2.159 50 Q HA 0.163 4.503 4.340 0.000 0.000 0.194 50 Q C 2.220 178.073 176.000 -0.245 0.000 0.968 50 Q CA 0.645 56.374 55.803 -0.124 0.000 0.837 50 Q CB -0.183 28.490 28.738 -0.108 0.000 0.920 50 Q HN 0.264 nan 8.270 nan 0.000 0.485 51 A N 1.127 123.576 122.820 -0.619 0.000 1.848 51 A HA -0.271 4.049 4.320 0.000 0.000 0.217 51 A C 1.423 178.829 177.584 -0.296 0.000 1.220 51 A CA 2.098 53.694 52.037 -0.735 0.000 0.645 51 A CB -0.940 17.500 19.000 -0.933 0.000 0.842 51 A HN 0.417 nan 8.150 nan 0.000 0.451 52 S N -1.915 113.388 115.700 -0.661 0.000 4.080 52 S HA -0.236 4.234 4.470 0.000 0.000 0.627 52 S C 0.131 174.198 174.600 -0.887 0.000 1.977 52 S CA 1.481 59.079 58.200 -1.002 0.000 4.141 52 S CB -1.870 61.214 63.200 -0.194 0.000 0.213 52 S HN 1.884 nan 8.310 nan 0.000 0.596 53 I N -0.372 119.876 120.570 -0.536 0.000 2.908 53 I HA 0.548 4.718 4.170 0.000 0.000 0.319 53 I C 0.020 175.794 176.117 -0.573 0.000 1.471 53 I CA -0.595 60.470 61.300 -0.392 0.000 0.809 53 I CB 0.335 38.172 38.000 -0.272 0.000 2.186 53 I HN 0.624 nan 8.210 nan 0.000 0.607 54 H N 0.757 119.692 119.070 -0.225 0.000 3.540 54 H HA 0.342 4.898 4.556 0.000 0.000 0.259 54 H C -0.475 174.440 175.328 -0.688 0.000 1.197 54 H CA -0.121 55.672 56.048 -0.426 0.000 1.136 54 H CB 1.045 30.474 29.762 -0.554 0.000 1.605 54 H HN 0.509 nan 8.280 nan 0.000 0.657 55 H N 0.968 120.103 119.070 0.109 0.000 3.162 55 H HA 0.118 4.674 4.556 0.000 0.000 0.309 55 H C -0.000 175.404 175.328 0.127 0.000 1.156 55 H CA -0.454 55.685 56.048 0.152 0.000 1.586 55 H CB 1.450 31.386 29.762 0.291 0.000 1.740 55 H HN -0.130 nan 8.280 nan 0.000 0.525 56 V N 4.315 124.325 119.914 0.160 0.000 3.121 56 V HA -0.264 3.856 4.120 0.000 0.000 0.277 56 V C 0.961 177.124 176.094 0.114 0.000 1.474 56 V CA 1.100 63.458 62.300 0.097 0.000 1.468 56 V CB -0.765 31.090 31.823 0.054 0.000 0.819 56 V HN 0.484 nan 8.190 nan 0.000 0.450 57 I N 5.515 126.105 120.570 0.034 0.000 2.488 57 I HA 0.462 4.633 4.170 0.000 0.000 0.299 57 I C 0.136 176.206 176.117 -0.078 0.000 0.984 57 I CA -0.414 60.873 61.300 -0.020 0.000 1.250 57 I CB 1.513 39.439 38.000 -0.124 0.000 1.389 57 I HN 0.305 nan 8.210 nan 0.000 0.488 58 V N 6.449 126.317 119.914 -0.076 0.000 2.409 58 V HA 0.380 4.500 4.120 0.000 0.000 0.291 58 V C 0.063 176.073 176.094 -0.141 0.000 1.020 58 V CA -0.612 61.627 62.300 -0.101 0.000 0.848 58 V CB 1.831 33.613 31.823 -0.067 0.000 0.990 58 V HN 0.417 nan 8.190 nan 0.000 0.430 59 L N 4.740 125.856 121.223 -0.178 0.000 2.272 59 L HA 0.452 4.792 4.340 0.000 0.000 0.284 59 L C 0.413 177.179 176.870 -0.172 0.000 1.045 59 L CA -0.254 54.459 54.840 -0.211 0.000 0.842 59 L CB 0.706 42.597 42.059 -0.279 0.000 1.224 59 L HN 0.658 nan 8.230 nan 0.000 0.430 60 E N 4.894 124.990 120.200 -0.174 0.000 2.104 60 E HA 0.255 4.605 4.350 0.000 0.000 0.278 60 E C -0.636 175.798 176.600 -0.276 0.000 1.127 60 E CA -0.132 56.157 56.400 -0.185 0.000 0.897 60 E CB 0.781 30.389 29.700 -0.153 0.000 1.043 60 E HN 0.479 nan 8.360 nan 0.000 0.410 61 L N 4.737 125.802 121.223 -0.263 0.000 2.357 61 L HA 0.208 4.548 4.340 0.000 0.000 0.273 61 L C -1.380 175.262 176.870 -0.381 0.000 1.080 61 L CA -2.124 52.491 54.840 -0.375 0.000 0.803 61 L CB 0.819 42.683 42.059 -0.326 0.000 1.174 61 L HN 0.271 nan 8.230 nan 0.000 0.443 62 P HA -0.179 nan 4.420 nan 0.000 0.219 62 P C -0.445 176.716 177.300 -0.231 0.000 1.145 62 P CA 1.399 64.304 63.100 -0.325 0.000 0.813 62 P CB 0.075 31.581 31.700 -0.324 0.000 0.771 63 D N -1.895 118.350 120.400 -0.258 0.000 2.551 63 D HA 0.377 5.017 4.640 0.000 0.000 0.294 63 D C 1.409 177.645 176.300 -0.107 0.000 1.201 63 D CA 0.272 54.185 54.000 -0.145 0.000 0.941 63 D CB -0.120 40.615 40.800 -0.109 0.000 0.995 63 D HN 0.002 nan 8.370 nan 0.000 0.502 64 G N 1.563 110.304 108.800 -0.098 0.000 4.862 64 G HA2 -0.397 3.563 3.960 0.000 0.000 0.344 64 G HA3 -0.397 3.563 3.960 0.000 0.000 0.344 64 G C 0.255 175.103 174.900 -0.086 0.000 1.365 64 G CA 0.076 45.130 45.100 -0.077 0.000 1.066 64 G HN 0.504 nan 8.290 nan 0.000 0.808 65 Q N 0.374 120.132 119.800 -0.070 0.000 3.035 65 Q HA -0.023 4.317 4.340 0.000 0.000 0.296 65 Q C 0.453 176.406 176.000 -0.079 0.000 1.660 65 Q CA 1.748 57.514 55.803 -0.062 0.000 0.519 65 Q CB -0.635 28.072 28.738 -0.052 0.000 1.221 65 Q HN 1.817 nan 8.270 nan 0.000 0.547 66 S N 0.689 116.350 115.700 -0.065 0.000 2.386 66 S HA 0.444 4.914 4.470 0.000 0.000 0.152 66 S C -0.650 173.908 174.600 -0.070 0.000 1.511 66 S CA -0.885 57.270 58.200 -0.076 0.000 1.246 66 S CB 0.331 63.490 63.200 -0.069 0.000 1.338 66 S HN 0.296 nan 8.310 nan 0.000 0.409 67 L N 3.182 124.362 121.223 -0.073 0.000 2.371 67 L HA 0.512 4.852 4.340 0.000 0.000 0.272 67 L C -2.156 174.660 176.870 -0.090 0.000 1.124 67 L CA -1.721 53.079 54.840 -0.068 0.000 0.816 67 L CB 0.094 42.124 42.059 -0.047 0.000 1.129 67 L HN 0.323 nan 8.230 nan 0.000 0.448 68 P HA 0.176 nan 4.420 nan 0.000 0.262 68 P C -0.812 176.420 177.300 -0.113 0.000 1.620 68 P CA -0.399 62.646 63.100 -0.092 0.000 1.089 68 P CB 0.190 31.839 31.700 -0.084 0.000 1.601 69 T N 1.420 115.909 114.554 -0.107 0.000 2.940 69 T HA 0.683 5.033 4.350 0.000 0.000 0.288 69 T C -0.056 174.646 174.700 0.004 0.000 1.033 69 T CA -0.920 61.135 62.100 -0.076 0.000 1.033 69 T CB 1.360 70.181 68.868 -0.079 0.000 1.079 69 T HN 0.089 nan 8.240 nan 0.000 0.496 70 L N 1.000 122.283 121.223 0.099 0.000 2.303 70 L HA 0.617 4.957 4.340 0.000 0.000 0.266 70 L C -0.609 176.459 176.870 0.329 0.000 1.011 70 L CA -1.580 53.363 54.840 0.171 0.000 0.818 70 L CB 2.400 44.549 42.059 0.150 0.000 1.326 70 L HN 0.509 nan 8.230 nan 0.000 0.435 71 V N 2.673 122.762 119.914 0.291 0.000 2.353 71 V HA 0.252 4.372 4.120 0.000 0.000 0.264 71 V C 0.925 177.135 176.094 0.194 0.000 1.049 71 V CA -0.433 62.051 62.300 0.308 0.000 0.896 71 V CB 0.899 32.962 31.823 0.401 0.000 1.025 71 V HN 0.669 nan 8.190 nan 0.000 0.475 72 R N 2.919 123.514 120.500 0.157 0.000 2.161 72 R HA 0.119 4.459 4.340 0.000 0.000 0.213 72 R C 0.636 177.001 176.300 0.108 0.000 1.055 72 R CA 0.683 56.858 56.100 0.125 0.000 0.996 72 R CB 0.243 30.586 30.300 0.071 0.000 0.901 72 R HN 0.938 nan 8.270 nan 0.000 0.456 73 Q N -1.545 118.316 119.800 0.101 0.000 2.594 73 Q HA 0.282 4.622 4.340 0.000 0.000 0.278 73 Q C -1.917 174.115 176.000 0.053 0.000 0.961 73 Q CA -0.689 55.164 55.803 0.084 0.000 0.844 73 Q CB 1.624 30.407 28.738 0.075 0.000 1.475 73 Q HN -0.156 nan 8.270 nan 0.000 0.389 74 V N 2.646 122.581 119.914 0.035 0.000 2.482 74 V HA 0.385 4.505 4.120 0.000 0.000 0.295 74 V C -0.922 175.150 176.094 -0.037 0.000 1.026 74 V CA -0.919 61.356 62.300 -0.041 0.000 0.856 74 V CB 1.704 33.456 31.823 -0.119 0.000 1.001 74 V HN 0.729 nan 8.190 nan 0.000 0.424 75 N N 4.511 123.200 118.700 -0.018 0.000 2.497 75 N HA 0.460 5.200 4.740 0.000 0.000 0.271 75 N C -0.571 174.911 175.510 -0.047 0.000 1.142 75 N CA -0.044 52.998 53.050 -0.013 0.000 0.965 75 N CB 1.213 39.711 38.487 0.019 0.000 1.077 75 N HN 0.564 nan 8.380 nan 0.000 0.462 76 L N 0.860 122.057 121.223 -0.043 0.000 2.334 76 L HA 0.299 4.639 4.340 0.000 0.000 0.275 76 L C 0.320 177.166 176.870 -0.040 0.000 1.036 76 L CA -0.978 53.832 54.840 -0.049 0.000 0.807 76 L CB 1.223 43.257 42.059 -0.041 0.000 1.231 76 L HN 0.416 nan 8.230 nan 0.000 0.438 77 D N 1.646 122.020 120.400 -0.042 0.000 2.316 77 D HA 0.090 4.730 4.640 0.000 0.000 0.245 77 D C 0.855 177.138 176.300 -0.029 0.000 1.171 77 D CA -0.178 53.801 54.000 -0.034 0.000 0.856 77 D CB 0.999 41.778 40.800 -0.035 0.000 1.090 77 D HN 0.311 nan 8.370 nan 0.000 0.476 78 K N 3.154 123.539 120.400 -0.025 0.000 2.097 78 K HA -0.083 4.237 4.320 0.000 0.000 0.206 78 K C 0.612 177.201 176.600 -0.019 0.000 1.049 78 K CA 0.766 57.040 56.287 -0.021 0.000 0.933 78 K CB -0.151 32.337 32.500 -0.020 0.000 0.717 78 K HN 0.514 nan 8.250 nan 0.000 0.442 79 R N 2.197 122.686 120.500 -0.019 0.000 2.316 79 R HA 0.150 4.490 4.340 0.000 0.000 0.314 79 R C -0.402 175.888 176.300 -0.016 0.000 1.069 79 R CA -0.281 55.809 56.100 -0.016 0.000 0.959 79 R CB 0.150 30.441 30.300 -0.015 0.000 0.987 79 R HN -0.002 nan 8.270 nan 0.000 0.446 80 R N 2.141 122.633 120.500 -0.014 0.000 2.164 80 R HA -0.191 4.149 4.340 0.000 0.000 0.342 80 R C -0.472 175.818 176.300 -0.016 0.000 1.144 80 R CA 0.790 56.883 56.100 -0.013 0.000 1.018 80 R CB -1.051 29.242 30.300 -0.012 0.000 2.924 80 R HN 0.894 nan 8.270 nan 0.000 0.497 81 R N 1.999 122.490 120.500 -0.015 0.000 3.110 81 R HA 0.017 4.357 4.340 0.000 0.000 0.347 81 R C 0.445 176.730 176.300 -0.025 0.000 0.931 81 R CA 0.537 56.625 56.100 -0.020 0.000 1.003 81 R CB 0.227 30.519 30.300 -0.014 0.000 0.955 81 R HN 0.445 nan 8.270 nan 0.000 0.405 82 R N 3.723 124.201 120.500 -0.036 0.000 2.575 82 R HA 0.374 4.714 4.340 0.000 0.000 0.293 82 R C -2.566 173.691 176.300 -0.072 0.000 0.983 82 R CA -2.373 53.700 56.100 -0.046 0.000 0.887 82 R CB 1.919 32.197 30.300 -0.036 0.000 1.184 82 R HN 0.334 nan 8.270 nan 0.000 0.445 83 P HA 0.002 nan 4.420 nan 0.000 0.266 83 P C -0.567 176.655 177.300 -0.129 0.000 1.195 83 P CA 0.200 63.205 63.100 -0.158 0.000 0.768 83 P CB 0.984 32.522 31.700 -0.269 0.000 0.838 84 E N 0.442 120.580 120.200 -0.102 0.000 2.290 84 E HA 0.032 4.382 4.350 0.000 0.000 0.199 84 E C 0.351 176.951 176.600 0.001 0.000 0.912 84 E CA 0.680 57.050 56.400 -0.050 0.000 0.924 84 E CB 0.504 30.188 29.700 -0.028 0.000 0.901 84 E HN 0.608 nan 8.360 nan 0.000 0.487 85 H N -0.429 118.537 119.070 -0.173 0.000 3.123 85 H HA 0.266 4.822 4.556 0.000 0.000 0.346 85 H C -1.673 173.521 175.328 -0.222 0.000 1.138 85 H CA -0.366 55.583 56.048 -0.165 0.000 1.273 85 H CB 1.588 31.291 29.762 -0.098 0.000 1.926 85 H HN -0.213 nan 8.280 nan 0.000 0.524 86 V N 3.340 122.798 119.914 -0.759 0.000 2.540 86 V HA 0.272 4.392 4.120 0.000 0.000 0.302 86 V C -0.676 174.968 176.094 -0.750 0.000 1.035 86 V CA -0.936 60.955 62.300 -0.682 0.000 0.873 86 V CB 1.689 33.018 31.823 -0.823 0.000 0.992 86 V HN 0.748 nan 8.190 nan 0.000 0.428 87 D N 2.753 122.912 120.400 -0.402 0.000 2.256 87 D HA 0.608 5.248 4.640 0.000 0.000 0.240 87 D C -1.033 175.137 176.300 -0.217 0.000 1.062 87 D CA -0.309 53.607 54.000 -0.140 0.000 0.832 87 D CB 1.261 42.222 40.800 0.269 0.000 1.135 87 D HN 0.376 nan 8.370 nan 0.000 0.484 88 F N 1.823 121.777 119.950 0.008 0.000 2.388 88 F HA 0.281 4.808 4.527 0.000 0.000 0.358 88 F C -0.294 175.411 175.800 -0.159 0.000 1.122 88 F CA -1.334 56.659 58.000 -0.011 0.000 1.056 88 F CB 1.086 40.115 39.000 0.047 0.000 1.155 88 F HN 0.335 nan 8.300 nan 0.000 0.461 89 F N 5.474 125.371 119.950 -0.089 0.000 2.375 89 F HA 0.432 4.959 4.527 0.000 0.000 0.362 89 F C -0.280 175.472 175.800 -0.080 0.000 1.129 89 F CA -1.108 56.753 58.000 -0.232 0.000 1.154 89 F CB 0.541 39.459 39.000 -0.137 0.000 1.205 89 F HN 0.034 nan 8.300 nan 0.000 0.513 90 V N 7.685 127.526 119.914 -0.121 0.000 2.439 90 V HA 0.032 4.152 4.120 0.000 0.000 0.271 90 V C 0.566 176.366 176.094 -0.491 0.000 1.040 90 V CA -0.382 61.787 62.300 -0.218 0.000 1.002 90 V CB 0.245 32.035 31.823 -0.056 0.000 1.000 90 V HN 0.656 nan 8.190 nan 0.000 0.477 91 L N 4.072 125.038 121.223 -0.428 0.000 2.464 91 L HA 0.354 4.694 4.340 0.000 0.000 0.264 91 L C 0.863 177.596 176.870 -0.228 0.000 1.199 91 L CA 0.426 55.013 54.840 -0.421 0.000 0.818 91 L CB 1.101 42.999 42.059 -0.268 0.000 1.102 91 L HN 0.767 nan 8.230 nan 0.000 0.473 92 S N -0.859 114.736 115.700 -0.174 0.000 3.206 92 S HA 0.222 4.692 4.470 0.000 0.000 0.261 92 S C -0.015 174.549 174.600 -0.059 0.000 1.020 92 S CA -0.389 57.766 58.200 -0.077 0.000 1.078 92 S CB 0.964 64.155 63.200 -0.016 0.000 1.301 92 S HN 0.775 nan 8.310 nan 0.000 0.677 93 D N 0.047 120.429 120.400 -0.030 0.000 2.407 93 D HA 0.167 4.807 4.640 0.000 0.000 0.208 93 D C -0.146 176.147 176.300 -0.012 0.000 1.083 93 D CA -0.064 53.922 54.000 -0.023 0.000 0.844 93 D CB 0.025 40.815 40.800 -0.017 0.000 0.967 93 D HN 0.120 nan 8.370 nan 0.000 0.506 94 E N 2.312 122.510 120.200 -0.003 0.000 2.436 94 E HA 0.081 4.431 4.350 0.000 0.000 0.262 94 E C -1.863 174.741 176.600 0.005 0.000 1.063 94 E CA -1.256 55.152 56.400 0.012 0.000 0.944 94 E CB 0.047 29.767 29.700 0.034 0.000 0.950 94 E HN 0.186 nan 8.360 nan 0.000 0.444 95 P HA 0.102 nan 4.420 nan 0.000 0.272 95 P C -0.380 176.938 177.300 0.030 0.000 1.254 95 P CA -0.150 62.957 63.100 0.012 0.000 0.795 95 P CB 0.778 32.485 31.700 0.011 0.000 1.022 96 V N -0.846 119.088 119.914 0.034 0.000 3.036 96 V HA 0.134 4.254 4.120 0.000 0.000 0.280 96 V C -1.074 175.052 176.094 0.053 0.000 1.497 96 V CA -0.687 61.658 62.300 0.075 0.000 0.982 96 V CB 2.051 33.940 31.823 0.110 0.000 1.171 96 V HN 0.456 nan 8.190 nan 0.000 0.444 97 E N 5.029 125.263 120.200 0.056 0.000 2.384 97 E HA 0.651 5.001 4.350 0.000 0.000 0.266 97 E C -0.184 176.419 176.600 0.006 0.000 1.012 97 E CA 0.521 56.919 56.400 -0.004 0.000 0.901 97 E CB 0.885 30.573 29.700 -0.020 0.000 0.967 97 E HN 0.673 nan 8.360 nan 0.000 0.435 98 M N 0.372 119.928 119.600 -0.073 0.000 2.853 98 M HA 0.378 4.858 4.480 0.000 0.000 0.273 98 M C -1.731 174.505 176.300 -0.107 0.000 1.128 98 M CA -0.901 54.380 55.300 -0.031 0.000 0.814 98 M CB 1.104 33.737 32.600 0.055 0.000 1.667 98 M HN 0.208 nan 8.290 nan 0.000 0.519 99 Y N 0.533 120.835 120.300 0.004 0.000 2.313 99 Y HA 0.675 5.225 4.550 0.000 0.000 0.332 99 Y C -0.334 175.634 175.900 0.114 0.000 1.071 99 Y CA -0.708 57.420 58.100 0.046 0.000 1.169 99 Y CB 1.674 40.164 38.460 0.049 0.000 1.192 99 Y HN 0.481 nan 8.280 nan 0.000 0.487 100 V N 6.546 126.603 119.914 0.238 0.000 2.384 100 V HA 0.309 4.429 4.120 0.000 0.000 0.287 100 V C -2.019 174.184 176.094 0.183 0.000 1.020 100 V CA -2.423 59.985 62.300 0.180 0.000 0.850 100 V CB 1.478 33.340 31.823 0.065 0.000 0.987 100 V HN 0.610 nan 8.190 nan 0.000 0.436 101 P HA 0.090 nan 4.420 nan 0.000 0.276 101 P C -0.882 176.443 177.300 0.043 0.000 1.286 101 P CA 0.263 63.345 63.100 -0.029 0.000 0.883 101 P CB 0.422 32.061 31.700 -0.101 0.000 1.125 102 L N -1.417 119.798 121.223 -0.012 0.000 2.545 102 L HA 0.431 4.771 4.340 0.000 0.000 0.258 102 L C -0.173 176.527 176.870 -0.283 0.000 0.942 102 L CA -0.654 54.080 54.840 -0.177 0.000 0.855 102 L CB 2.328 44.164 42.059 -0.371 0.000 1.374 102 L HN 0.190 nan 8.230 nan 0.000 0.411 103 R N 2.131 122.415 120.500 -0.359 0.000 2.310 103 R HA 0.463 4.803 4.340 0.000 0.000 0.324 103 R C -1.340 174.753 176.300 -0.344 0.000 0.955 103 R CA -0.524 55.380 56.100 -0.327 0.000 0.830 103 R CB 1.443 31.469 30.300 -0.457 0.000 1.154 103 R HN 0.341 nan 8.270 nan 0.000 0.458 104 F N 2.743 122.673 119.950 -0.033 0.000 2.425 104 F HA 0.144 4.671 4.527 0.000 0.000 0.354 104 F C 0.685 176.480 175.800 -0.009 0.000 1.162 104 F CA -0.533 57.465 58.000 -0.004 0.000 1.250 104 F CB 0.766 39.768 39.000 0.004 0.000 1.579 104 F HN 0.149 nan 8.300 nan 0.000 0.589 105 V N 3.076 123.035 119.914 0.075 0.000 2.686 105 V HA 0.776 4.896 4.120 0.000 0.000 0.295 105 V C 0.406 176.541 176.094 0.068 0.000 1.055 105 V CA 0.533 62.864 62.300 0.052 0.000 1.050 105 V CB 0.755 32.593 31.823 0.025 0.000 0.984 105 V HN 0.899 nan 8.190 nan 0.000 0.482 106 G N 3.971 112.803 108.800 0.053 0.000 2.539 106 G HA2 -0.064 3.896 3.960 0.000 0.000 0.686 106 G HA3 -0.064 3.896 3.960 0.000 0.000 0.686 106 G C -0.415 174.512 174.900 0.044 0.000 1.258 106 G CA -0.330 44.798 45.100 0.047 0.000 0.846 106 G HN 0.960 nan 8.290 nan 0.000 0.647 107 T N 3.650 118.223 114.554 0.033 0.000 3.375 107 T HA 0.510 4.860 4.350 0.000 0.000 0.363 107 T C -1.864 172.851 174.700 0.024 0.000 1.837 107 T CA -0.642 61.474 62.100 0.026 0.000 1.445 107 T CB 0.918 69.797 68.868 0.018 0.000 1.089 107 T HN 0.630 nan 8.240 nan 0.000 0.722 108 P HA 0.153 nan 4.420 nan 0.000 0.264 108 P C 0.277 177.588 177.300 0.019 0.000 1.183 108 P CA -0.190 62.928 63.100 0.029 0.000 0.763 108 P CB 0.420 32.140 31.700 0.034 0.000 0.807 109 A N 2.646 125.477 122.820 0.018 0.000 2.632 109 A HA 0.334 4.654 4.320 0.000 0.000 0.229 109 A C 1.217 178.807 177.584 0.010 0.000 1.047 109 A CA 0.931 52.975 52.037 0.013 0.000 0.754 109 A CB -1.175 17.833 19.000 0.014 0.000 0.969 109 A HN 1.091 nan 8.150 nan 0.000 0.509 110 G N -0.412 108.392 108.800 0.006 0.000 2.756 110 G HA2 0.259 4.219 3.960 0.000 0.000 0.151 110 G HA3 0.259 4.219 3.960 0.000 0.000 0.151 110 G C -0.070 174.831 174.900 0.001 0.000 1.071 110 G CA 0.183 45.284 45.100 0.001 0.000 0.881 110 G HN 2.208 nan 8.290 nan 0.000 0.517 111 V N -1.033 118.882 119.914 0.002 0.000 3.943 111 V HA 0.240 4.360 4.120 0.000 0.000 0.279 111 V C 1.878 177.973 176.094 0.002 0.000 1.780 111 V CA 1.664 63.965 62.300 0.002 0.000 1.248 111 V CB 0.033 31.859 31.823 0.004 0.000 0.998 111 V HN 0.461 nan 8.190 nan 0.000 0.350 112 R N 1.700 122.201 120.500 0.002 0.000 2.023 112 R HA 0.463 4.803 4.340 0.000 0.000 0.217 112 R C 1.698 177.998 176.300 0.001 0.000 1.255 112 R CA 1.968 58.069 56.100 0.002 0.000 0.981 112 R CB -0.548 29.754 30.300 0.003 0.000 0.853 112 R HN 0.412 nan 8.270 nan 0.000 0.463 113 A N -0.710 122.111 122.820 0.001 0.000 2.411 113 A HA 0.525 4.845 4.320 0.000 0.000 0.251 113 A C 0.542 178.125 177.584 -0.001 0.000 1.317 113 A CA 0.557 52.594 52.037 -0.000 0.000 0.904 113 A CB -0.521 18.479 19.000 0.000 0.000 0.993 113 A HN 0.617 nan 8.150 nan 0.000 0.504 114 G N -1.618 107.181 108.800 -0.002 0.000 2.253 114 G HA2 0.497 4.457 3.960 0.000 0.000 0.190 114 G HA3 0.497 4.457 3.960 0.000 0.000 0.190 114 G C 0.536 175.433 174.900 -0.004 0.000 1.274 114 G CA 0.227 45.325 45.100 -0.004 0.000 1.275 114 G HN 2.379 nan 8.290 nan 0.000 0.518 115 G N -2.354 106.441 108.800 -0.007 0.000 2.784 115 G HA2 0.489 4.449 3.960 0.000 0.000 0.686 115 G HA3 0.489 4.449 3.960 0.000 0.000 0.686 115 G C -0.865 174.026 174.900 -0.014 0.000 1.156 115 G CA 0.359 45.453 45.100 -0.009 0.000 0.757 115 G HN 1.942 nan 8.290 nan 0.000 0.642 116 V N 3.096 122.998 119.914 -0.019 0.000 2.789 116 V HA 0.636 4.756 4.120 0.000 0.000 0.300 116 V C 0.264 176.334 176.094 -0.040 0.000 1.184 116 V CA -0.322 61.961 62.300 -0.028 0.000 0.930 116 V CB 1.726 33.532 31.823 -0.028 0.000 1.041 116 V HN 1.544 nan 8.190 nan 0.000 0.430 117 L N 3.323 124.514 121.223 -0.053 0.000 2.334 117 L HA 0.708 5.048 4.340 0.000 0.000 0.277 117 L C -0.227 176.577 176.870 -0.111 0.000 1.075 117 L CA -0.093 54.702 54.840 -0.076 0.000 0.804 117 L CB 1.229 43.240 42.059 -0.081 0.000 1.174 117 L HN 0.659 nan 8.230 nan 0.000 0.438 118 Q N 2.748 122.477 119.800 -0.118 0.000 2.398 118 Q HA 0.144 4.484 4.340 0.000 0.000 0.251 118 Q C -0.498 175.382 176.000 -0.201 0.000 0.999 118 Q CA -0.355 55.370 55.803 -0.130 0.000 0.874 118 Q CB 1.138 29.822 28.738 -0.089 0.000 1.215 118 Q HN 0.802 nan 8.270 nan 0.000 0.470 119 E N 3.961 123.998 120.200 -0.272 0.000 2.574 119 E HA -0.072 4.278 4.350 0.000 0.000 0.306 119 E C 0.606 177.110 176.600 -0.159 0.000 1.166 119 E CA -0.092 56.080 56.400 -0.381 0.000 1.263 119 E CB -0.122 29.355 29.700 -0.371 0.000 1.078 119 E HN 0.567 nan 8.360 nan 0.000 0.481 120 I N 0.586 121.095 120.570 -0.103 0.000 2.623 120 I HA -0.215 3.955 4.170 0.000 0.000 0.261 120 I C 0.400 176.518 176.117 0.003 0.000 1.204 120 I CA 1.357 62.632 61.300 -0.041 0.000 1.444 120 I CB -1.497 36.495 38.000 -0.013 0.000 1.094 120 I HN 0.584 nan 8.210 nan 0.000 0.451 121 H N -0.754 118.345 119.070 0.048 0.000 3.179 121 H HA 0.269 4.825 4.556 0.000 0.000 0.331 121 H C 0.852 176.322 175.328 0.238 0.000 1.013 121 H CA -0.422 55.710 56.048 0.141 0.000 1.430 121 H CB 1.379 31.247 29.762 0.176 0.000 1.895 121 H HN -0.164 nan 8.280 nan 0.000 0.468 122 R N 2.289 123.010 120.500 0.368 0.000 2.280 122 R HA 0.066 4.406 4.340 0.000 0.000 0.195 122 R C -0.916 175.575 176.300 0.318 0.000 0.935 122 R CA 1.032 57.332 56.100 0.332 0.000 1.033 122 R CB 0.370 30.783 30.300 0.188 0.000 0.964 122 R HN 0.772 nan 8.270 nan 0.000 0.489 123 D N -0.808 119.803 120.400 0.352 0.000 2.747 123 D HA 0.121 4.761 4.640 0.000 0.000 0.218 123 D C -0.861 175.646 176.300 0.346 0.000 1.230 123 D CA -0.707 53.474 54.000 0.301 0.000 0.774 123 D CB 0.869 41.898 40.800 0.381 0.000 1.667 123 D HN 0.080 nan 8.370 nan 0.000 0.499 124 I N 1.061 121.740 120.570 0.181 0.000 2.707 124 I HA 0.588 4.758 4.170 0.000 0.000 0.309 124 I C -1.258 174.848 176.117 -0.018 0.000 1.001 124 I CA -1.335 59.991 61.300 0.043 0.000 1.129 124 I CB 1.611 39.519 38.000 -0.153 0.000 1.308 124 I HN 0.610 nan 8.210 nan 0.000 0.466 125 L N 7.110 128.168 121.223 -0.275 0.000 2.350 125 L HA 0.631 4.971 4.340 0.000 0.000 0.275 125 L C -0.904 175.817 176.870 -0.247 0.000 1.099 125 L CA -0.495 54.022 54.840 -0.538 0.000 0.808 125 L CB 1.432 42.966 42.059 -0.876 0.000 1.149 125 L HN 0.628 nan 8.230 nan 0.000 0.442 126 V N 1.066 120.868 119.914 -0.187 0.000 3.087 126 V HA 0.476 4.596 4.120 0.000 0.000 0.306 126 V C -0.828 175.220 176.094 -0.077 0.000 1.187 126 V CA -1.255 60.983 62.300 -0.104 0.000 0.999 126 V CB 1.734 33.515 31.823 -0.069 0.000 1.049 126 V HN 0.711 nan 8.190 nan 0.000 0.431 127 K N 1.519 121.888 120.400 -0.052 0.000 2.276 127 K HA 0.803 5.123 4.320 0.000 0.000 0.283 127 K C -1.005 175.581 176.600 -0.023 0.000 1.044 127 K CA -0.173 56.096 56.287 -0.030 0.000 0.944 127 K CB 1.322 33.810 32.500 -0.020 0.000 1.012 127 K HN 0.928 nan 8.250 nan 0.000 0.472 128 V N 2.055 121.961 119.914 -0.013 0.000 3.234 128 V HA 0.206 4.326 4.120 0.000 0.000 0.280 128 V C -1.421 174.668 176.094 -0.008 0.000 1.580 128 V CA -0.742 61.550 62.300 -0.014 0.000 1.032 128 V CB 2.227 34.038 31.823 -0.020 0.000 1.203 128 V HN 0.897 nan 8.190 nan 0.000 0.459 129 S N 3.783 119.475 115.700 -0.013 0.000 2.616 129 S HA 0.568 5.038 4.470 0.000 0.000 0.277 129 S C -1.818 172.770 174.600 -0.020 0.000 1.234 129 S CA -1.047 57.144 58.200 -0.015 0.000 1.028 129 S CB 1.741 64.931 63.200 -0.016 0.000 0.988 129 S HN 0.639 nan 8.310 nan 0.000 0.522 130 P HA -0.102 nan 4.420 nan 0.000 0.218 130 P C 1.109 178.393 177.300 -0.025 0.000 1.146 130 P CA 1.159 64.241 63.100 -0.031 0.000 0.813 130 P CB 0.087 31.758 31.700 -0.048 0.000 0.778 131 R N -0.344 120.140 120.500 -0.026 0.000 2.092 131 R HA -0.031 4.309 4.340 0.000 0.000 0.226 131 R C 0.770 177.056 176.300 -0.024 0.000 1.140 131 R CA 0.978 57.062 56.100 -0.025 0.000 0.910 131 R CB -1.231 29.054 30.300 -0.025 0.000 0.822 131 R HN 0.246 nan 8.270 nan 0.000 0.433 132 N N 1.904 120.589 118.700 -0.025 0.000 2.605 132 N HA 0.131 4.871 4.740 0.000 0.000 0.258 132 N C -0.702 174.792 175.510 -0.026 0.000 1.156 132 N CA 0.468 53.501 53.050 -0.029 0.000 1.008 132 N CB 0.529 38.998 38.487 -0.031 0.000 1.354 132 N HN 0.219 nan 8.380 nan 0.000 0.509 133 I N 3.459 124.017 120.570 -0.021 0.000 2.437 133 I HA 0.221 4.391 4.170 0.000 0.000 0.279 133 I C -1.843 174.265 176.117 -0.014 0.000 1.028 133 I CA -1.839 59.454 61.300 -0.012 0.000 1.142 133 I CB 1.586 39.590 38.000 0.006 0.000 1.266 133 I HN 0.072 nan 8.210 nan 0.000 0.461 134 P HA -0.000 nan 4.420 nan 0.000 0.269 134 P C 0.217 177.506 177.300 -0.018 0.000 1.211 134 P CA 0.108 63.157 63.100 -0.085 0.000 0.781 134 P CB 1.132 32.762 31.700 -0.117 0.000 0.877 135 E N -0.336 119.831 120.200 -0.055 0.000 2.478 135 E HA 0.099 4.449 4.350 0.000 0.000 0.194 135 E C 0.059 176.855 176.600 0.327 0.000 1.045 135 E CA 0.295 56.812 56.400 0.195 0.000 0.868 135 E CB -0.002 29.815 29.700 0.194 0.000 0.885 135 E HN 0.530 nan 8.360 nan 0.000 0.505 136 F N -2.415 117.557 119.950 0.038 0.000 3.593 136 F HA 0.367 4.894 4.527 0.000 0.000 0.323 136 F C -1.873 173.903 175.800 -0.040 0.000 1.006 136 F CA -1.310 56.683 58.000 -0.012 0.000 0.812 136 F CB 0.878 39.863 39.000 -0.025 0.000 1.650 136 F HN -0.361 nan 8.300 nan 0.000 0.449 137 I N 1.150 121.872 120.570 0.252 0.000 2.607 137 I HA 0.300 4.470 4.170 0.000 0.000 0.290 137 I C -1.097 175.086 176.117 0.111 0.000 1.129 137 I CA -0.619 60.731 61.300 0.082 0.000 1.042 137 I CB 2.187 40.180 38.000 -0.011 0.000 1.242 137 I HN 0.581 nan 8.210 nan 0.000 0.421 138 E N 4.548 124.804 120.200 0.093 0.000 2.313 138 E HA 0.364 4.714 4.350 0.000 0.000 0.276 138 E C -1.065 175.500 176.600 -0.058 0.000 1.031 138 E CA -0.437 55.992 56.400 0.048 0.000 0.857 138 E CB 2.192 31.951 29.700 0.097 0.000 1.040 138 E HN 0.221 nan 8.360 nan 0.000 0.408 139 V N 3.546 123.383 119.914 -0.129 0.000 2.357 139 V HA 0.035 4.155 4.120 0.000 0.000 0.284 139 V C -0.280 175.824 176.094 0.017 0.000 1.018 139 V CA -0.685 61.565 62.300 -0.083 0.000 0.841 139 V CB 1.303 33.018 31.823 -0.181 0.000 0.991 139 V HN 0.655 nan 8.190 nan 0.000 0.437 140 D N 2.907 123.329 120.400 0.036 0.000 2.346 140 D HA -0.010 4.630 4.640 0.000 0.000 0.248 140 D C 0.653 176.993 176.300 0.067 0.000 1.173 140 D CA -0.003 54.025 54.000 0.047 0.000 0.878 140 D CB -0.024 40.797 40.800 0.036 0.000 0.919 140 D HN 0.330 nan 8.370 nan 0.000 0.513 141 V N 1.226 121.202 119.914 0.103 0.000 2.506 141 V HA 0.061 4.181 4.120 0.000 0.000 0.296 141 V C 0.738 176.882 176.094 0.083 0.000 1.004 141 V CA 1.494 63.863 62.300 0.115 0.000 1.150 141 V CB 0.205 32.135 31.823 0.178 0.000 0.911 141 V HN 0.485 nan 8.190 nan 0.000 0.476 142 S N 3.158 118.895 115.700 0.062 0.000 1.913 142 S HA 0.137 4.607 4.470 0.000 0.000 0.231 142 S C 1.107 175.729 174.600 0.037 0.000 0.854 142 S CA 0.288 58.516 58.200 0.046 0.000 1.513 142 S CB -0.334 62.890 63.200 0.041 0.000 1.020 142 S HN 1.314 nan 8.310 nan 0.000 0.455 143 G N 2.241 111.065 108.800 0.039 0.000 3.814 143 G HA2 0.542 4.502 3.960 0.000 0.000 0.293 143 G HA3 0.542 4.502 3.960 0.000 0.000 0.293 143 G C -0.347 174.574 174.900 0.035 0.000 1.243 143 G CA -0.058 45.062 45.100 0.033 0.000 1.053 143 G HN 0.288 nan 8.290 nan 0.000 0.562 144 L N 0.507 121.752 121.223 0.036 0.000 2.356 144 L HA 0.607 4.947 4.340 0.000 0.000 0.277 144 L C -0.319 176.566 176.870 0.024 0.000 0.996 144 L CA -0.879 53.982 54.840 0.034 0.000 0.822 144 L CB 1.620 43.704 42.059 0.042 0.000 1.256 144 L HN 0.111 nan 8.230 nan 0.000 0.413 145 E N 1.854 122.066 120.200 0.020 0.000 2.518 145 E HA 0.377 4.727 4.350 0.000 0.000 0.248 145 E C 1.123 177.729 176.600 0.010 0.000 1.028 145 E CA -0.518 55.890 56.400 0.014 0.000 0.922 145 E CB 0.981 30.689 29.700 0.013 0.000 1.299 145 E HN 0.498 nan 8.360 nan 0.000 0.457 146 I N -1.080 119.493 120.570 0.005 0.000 2.800 146 I HA -0.012 4.158 4.170 0.000 0.000 0.266 146 I C 1.393 177.513 176.117 0.004 0.000 1.249 146 I CA 1.571 62.872 61.300 0.001 0.000 1.458 146 I CB -0.593 37.406 38.000 -0.001 0.000 1.093 146 I HN 0.407 nan 8.210 nan 0.000 0.466 147 G N 2.197 111.002 108.800 0.009 0.000 2.552 147 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 147 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 147 G C 0.473 175.381 174.900 0.014 0.000 1.240 147 G CA 1.613 46.721 45.100 0.013 0.000 0.796 147 G HN 0.679 nan 8.290 nan 0.000 0.568 148 D N -1.904 118.508 120.400 0.021 0.000 2.855 148 D HA 0.584 5.224 4.640 0.000 0.000 0.231 148 D C -0.001 176.311 176.300 0.020 0.000 1.225 148 D CA 0.198 54.215 54.000 0.027 0.000 1.074 148 D CB 0.828 41.660 40.800 0.053 0.000 1.235 148 D HN 0.641 nan 8.370 nan 0.000 0.635 149 S N -1.828 113.896 115.700 0.040 0.000 2.636 149 S HA 0.583 5.053 4.470 0.000 0.000 0.266 149 S C -1.552 173.117 174.600 0.116 0.000 1.147 149 S CA -1.118 57.097 58.200 0.025 0.000 0.815 149 S CB 0.789 63.944 63.200 -0.075 0.000 1.119 149 S HN 0.902 nan 8.310 nan 0.000 0.470 150 L N -0.297 121.015 121.223 0.148 0.000 2.333 150 L HA 0.777 5.117 4.340 0.000 0.000 0.263 150 L C -0.242 176.852 176.870 0.373 0.000 1.014 150 L CA -0.718 54.328 54.840 0.343 0.000 0.820 150 L CB 0.120 42.304 42.059 0.208 0.000 1.352 150 L HN 1.155 nan 8.230 nan 0.000 0.421 151 H N 0.197 119.307 119.070 0.068 0.000 4.103 151 H HA 0.721 5.277 4.556 0.000 0.000 0.392 151 H C 0.975 176.334 175.328 0.052 0.000 1.559 151 H CA -0.773 55.317 56.048 0.071 0.000 1.154 151 H CB 0.708 30.506 29.762 0.061 0.000 1.139 151 H HN 0.792 nan 8.280 nan 0.000 0.766 152 A N 0.711 123.660 122.820 0.216 0.000 5.177 152 A HA -0.340 3.980 4.320 0.000 0.000 0.531 152 A C 1.109 178.718 177.584 0.041 0.000 1.483 152 A CA 2.052 54.140 52.037 0.084 0.000 1.550 152 A CB -1.732 17.283 19.000 0.024 0.000 1.548 152 A HN 0.513 nan 8.150 nan 0.000 0.618 153 S N 0.612 116.316 115.700 0.007 0.000 3.729 153 S HA 0.465 4.935 4.470 0.000 0.000 0.235 153 S C -0.650 173.950 174.600 0.001 0.000 1.367 153 S CA 0.301 58.501 58.200 -0.002 0.000 0.907 153 S CB -0.708 62.484 63.200 -0.013 0.000 1.471 153 S HN 0.448 nan 8.310 nan 0.000 0.476 154 D N 1.839 122.251 120.400 0.020 0.000 2.556 154 D HA 0.256 4.896 4.640 0.000 0.000 0.237 154 D C -0.384 175.927 176.300 0.018 0.000 1.296 154 D CA -0.093 53.922 54.000 0.025 0.000 0.807 154 D CB 0.465 41.298 40.800 0.055 0.000 1.084 154 D HN 0.405 nan 8.370 nan 0.000 0.510 155 L N 0.907 122.134 121.223 0.006 0.000 2.307 155 L HA 0.365 4.705 4.340 0.000 0.000 0.282 155 L C 0.737 177.598 176.870 -0.014 0.000 1.051 155 L CA -0.832 54.003 54.840 -0.009 0.000 0.804 155 L CB 1.350 43.398 42.059 -0.018 0.000 1.197 155 L HN -0.212 nan 8.230 nan 0.000 0.431 156 K N 4.467 124.856 120.400 -0.018 0.000 2.095 156 K HA 0.197 4.517 4.320 0.000 0.000 0.258 156 K C -0.562 176.018 176.600 -0.032 0.000 1.120 156 K CA -0.261 56.013 56.287 -0.022 0.000 1.026 156 K CB -0.091 32.397 32.500 -0.021 0.000 1.256 156 K HN 0.571 nan 8.250 nan 0.000 0.360 157 L N 7.577 128.782 121.223 -0.030 0.000 2.454 157 L HA 0.159 4.499 4.340 0.000 0.000 0.284 157 L C -1.554 175.293 176.870 -0.039 0.000 1.139 157 L CA -1.835 52.984 54.840 -0.034 0.000 0.911 157 L CB -0.139 41.902 42.059 -0.029 0.000 1.262 157 L HN 0.504 nan 8.230 nan 0.000 0.453 158 P HA 0.014 nan 4.420 nan 0.000 0.269 158 P C -2.484 174.790 177.300 -0.043 0.000 1.205 158 P CA -0.967 62.100 63.100 -0.054 0.000 0.780 158 P CB -0.472 31.184 31.700 -0.073 0.000 0.858 159 P HA 0.067 nan 4.420 nan 0.000 0.261 159 P C 0.928 178.209 177.300 -0.031 0.000 1.183 159 P CA 1.482 64.562 63.100 -0.032 0.000 0.761 159 P CB -0.247 31.434 31.700 -0.031 0.000 0.785 160 G N 1.590 110.375 108.800 -0.026 0.000 2.137 160 G HA2 -0.163 3.797 3.960 0.000 0.000 0.237 160 G HA3 -0.163 3.797 3.960 0.000 0.000 0.237 160 G C -0.168 174.717 174.900 -0.025 0.000 1.002 160 G CA -0.291 44.795 45.100 -0.023 0.000 0.702 160 G HN 0.522 nan 8.290 nan 0.000 0.515 161 V N 1.640 121.537 119.914 -0.027 0.000 2.385 161 V HA 0.417 4.537 4.120 0.000 0.000 0.277 161 V C 0.103 176.180 176.094 -0.029 0.000 1.012 161 V CA -0.432 61.850 62.300 -0.030 0.000 0.832 161 V CB 1.305 33.106 31.823 -0.036 0.000 1.028 161 V HN 0.542 nan 8.190 nan 0.000 0.436 162 E N 5.741 125.924 120.200 -0.027 0.000 2.174 162 E HA 0.601 4.951 4.350 0.000 0.000 0.282 162 E C -0.184 176.395 176.600 -0.034 0.000 0.992 162 E CA -0.798 55.586 56.400 -0.027 0.000 0.803 162 E CB 2.245 31.933 29.700 -0.021 0.000 1.090 162 E HN 0.676 nan 8.360 nan 0.000 0.396 163 L N 0.455 121.657 121.223 -0.035 0.000 2.416 163 L HA 0.500 4.840 4.340 0.000 0.000 0.272 163 L C -0.056 176.787 176.870 -0.045 0.000 1.161 163 L CA -0.552 54.260 54.840 -0.047 0.000 0.845 163 L CB 0.713 42.747 42.059 -0.041 0.000 1.119 163 L HN 0.660 nan 8.230 nan 0.000 0.464 164 A N 4.259 127.040 122.820 -0.065 0.000 3.290 164 A HA 0.560 4.880 4.320 0.000 0.000 0.297 164 A C 0.543 178.095 177.584 -0.053 0.000 1.285 164 A CA -0.414 51.589 52.037 -0.057 0.000 1.060 164 A CB 0.212 19.170 19.000 -0.071 0.000 1.114 164 A HN 0.740 nan 8.150 nan 0.000 0.601 165 V N -0.439 119.456 119.914 -0.031 0.000 3.671 165 V HA 0.112 4.232 4.120 0.000 0.000 0.202 165 V C 1.859 177.964 176.094 0.018 0.000 1.188 165 V CA 1.564 63.861 62.300 -0.005 0.000 1.325 165 V CB 0.617 32.433 31.823 -0.012 0.000 1.470 165 V HN 0.719 nan 8.190 nan 0.000 0.520 166 S N -0.662 115.050 115.700 0.020 0.000 3.984 166 S HA 0.322 4.792 4.470 0.000 0.000 0.221 166 S C -2.186 172.425 174.600 0.017 0.000 1.149 166 S CA -0.055 58.162 58.200 0.028 0.000 0.950 166 S CB -1.003 62.226 63.200 0.049 0.000 1.216 166 S HN 0.526 nan 8.310 nan 0.000 0.547 167 P HA 0.815 nan 4.420 nan 0.000 0.292 167 P C -0.527 176.795 177.300 0.038 0.000 1.283 167 P CA 0.072 63.187 63.100 0.025 0.000 0.835 167 P CB 2.090 33.797 31.700 0.010 0.000 1.017 168 E N 0.262 120.509 120.200 0.079 0.000 1.237 168 E HA -0.062 4.288 4.350 0.000 0.000 0.205 168 E C -0.143 176.581 176.600 0.207 0.000 0.979 168 E CA 0.168 56.639 56.400 0.118 0.000 0.945 168 E CB -1.040 28.709 29.700 0.081 0.000 4.739 168 E HN 0.526 nan 8.360 nan 0.000 0.646 169 E N 2.109 122.404 120.200 0.157 0.000 2.694 169 E HA 0.081 4.431 4.350 0.000 0.000 0.250 169 E C -0.039 176.683 176.600 0.202 0.000 0.963 169 E CA 0.874 57.378 56.400 0.173 0.000 0.949 169 E CB 0.376 30.187 29.700 0.184 0.000 0.911 169 E HN 0.228 nan 8.360 nan 0.000 0.500 170 T N 3.201 117.832 114.554 0.128 0.000 2.919 170 T HA 0.165 4.515 4.350 0.000 0.000 0.302 170 T C 1.341 176.135 174.700 0.158 0.000 1.031 170 T CA -0.216 61.898 62.100 0.023 0.000 1.127 170 T CB 0.604 69.317 68.868 -0.259 0.000 0.952 170 T HN 0.597 nan 8.240 nan 0.000 0.540 171 I N -0.692 119.981 120.570 0.173 0.000 4.035 171 I HA 0.585 4.755 4.170 0.000 0.000 0.321 171 I C 0.382 176.637 176.117 0.231 0.000 1.289 171 I CA -0.421 61.043 61.300 0.273 0.000 1.236 171 I CB -0.640 37.508 38.000 0.245 0.000 1.076 171 I HN 0.834 nan 8.210 nan 0.000 0.418 172 A N 1.098 123.987 122.820 0.116 0.000 2.565 172 A HA 0.825 5.145 4.320 0.000 0.000 0.298 172 A C -1.317 176.255 177.584 -0.020 0.000 1.062 172 A CA 0.065 52.110 52.037 0.014 0.000 0.723 172 A CB 1.015 20.034 19.000 0.031 0.000 1.282 172 A HN 0.548 nan 8.150 nan 0.000 0.400 173 A N 0.836 123.622 122.820 -0.058 0.000 2.498 173 A HA 0.824 5.144 4.320 0.000 0.000 0.298 173 A C -1.142 176.413 177.584 -0.049 0.000 1.075 173 A CA -0.570 51.437 52.037 -0.050 0.000 0.714 173 A CB 1.613 20.576 19.000 -0.061 0.000 1.299 173 A HN 1.593 nan 8.150 nan 0.000 0.407 174 V N 1.870 121.766 119.914 -0.029 0.000 2.435 174 V HA 0.623 4.743 4.120 0.000 0.000 0.290 174 V C -0.122 175.958 176.094 -0.022 0.000 1.030 174 V CA -0.245 62.039 62.300 -0.026 0.000 0.881 174 V CB 1.350 33.167 31.823 -0.011 0.000 0.983 174 V HN 1.084 nan 8.190 nan 0.000 0.445 175 V N 3.586 123.485 119.914 -0.026 0.000 3.040 175 V HA 0.768 4.888 4.120 0.000 0.000 0.312 175 V C -2.846 173.238 176.094 -0.017 0.000 1.115 175 V CA -2.782 59.505 62.300 -0.021 0.000 0.998 175 V CB 1.941 33.748 31.823 -0.027 0.000 1.042 175 V HN 0.656 nan 8.190 nan 0.000 0.433 176 P HA 0.448 nan 4.420 nan 0.000 0.274 176 P C -2.457 174.836 177.300 -0.012 0.000 1.237 176 P CA -0.966 62.128 63.100 -0.011 0.000 0.793 176 P CB -0.162 31.533 31.700 -0.008 0.000 0.977 177 P HA 0.218 nan 4.420 nan 0.000 0.318 177 P C 0.199 177.494 177.300 -0.009 0.000 1.309 177 P CA 0.089 63.183 63.100 -0.010 0.000 0.736 177 P CB 0.912 32.607 31.700 -0.008 0.000 1.440 178 E N -0.918 119.277 120.200 -0.009 0.000 2.431 178 E HA 0.202 4.552 4.350 0.000 0.000 0.200 178 E C 0.583 177.179 176.600 -0.006 0.000 0.995 178 E CA 0.923 57.318 56.400 -0.008 0.000 0.915 178 E CB 0.197 29.892 29.700 -0.008 0.000 0.930 178 E HN 0.743 nan 8.360 nan 0.000 0.496 179 D N 0.000 120.397 120.400 -0.006 0.000 6.856 179 D HA 0.000 4.640 4.640 0.000 0.000 0.175 179 D CA 0.000 nan 54.000 nan 0.000 0.868 179 D CB 0.000 nan 40.800 nan 0.000 0.688 179 D HN 0.000 nan 8.370 nan 0.000 0.683