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 2j01_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 0.000 175.845 175.900 -0.092 0.000 1.272 3 Y CA 0.000 58.057 58.100 -0.072 0.000 1.940 3 Y CB 0.000 38.416 38.460 -0.073 0.000 1.050 4 R N 0.468 121.019 120.500 0.085 0.000 2.728 4 R HA 0.864 5.204 4.340 0.000 0.000 0.274 4 R C -2.228 174.058 176.300 -0.023 0.000 1.030 4 R CA -1.116 54.974 56.100 -0.016 0.000 0.876 4 R CB 2.827 33.104 30.300 -0.039 0.000 1.259 4 R HN 0.640 nan 8.270 nan 0.000 0.468 5 L N 1.769 122.957 121.223 -0.058 0.000 3.206 5 L HA 0.191 4.531 4.340 0.000 0.000 0.260 5 L C -1.319 175.536 176.870 -0.026 0.000 0.959 5 L CA -1.126 53.701 54.840 -0.020 0.000 1.061 5 L CB 2.116 44.178 42.059 0.006 0.000 1.760 5 L HN 0.510 nan 8.230 nan 0.000 0.495 6 K N 1.691 122.098 120.400 0.012 0.000 2.600 6 K HA 0.106 4.426 4.320 0.000 0.000 0.280 6 K C 0.542 177.171 176.600 0.048 0.000 0.971 6 K CA 1.002 57.271 56.287 -0.030 0.000 1.053 6 K CB 0.244 32.812 32.500 0.114 0.000 0.856 6 K HN 0.647 nan 8.250 nan 0.000 0.495 7 A N 2.766 125.529 122.820 -0.095 0.000 2.609 7 A HA 0.182 4.502 4.320 0.000 0.000 0.286 7 A C -0.927 176.610 177.584 -0.078 0.000 1.138 7 A CA -0.555 51.475 52.037 -0.013 0.000 0.960 7 A CB -0.372 18.578 19.000 -0.084 0.000 1.208 7 A HN 0.635 nan 8.150 nan 0.000 0.541 8 Y N -0.054 120.059 120.300 -0.312 0.000 2.925 8 Y HA -0.278 4.272 4.550 0.000 0.000 0.395 8 Y C 0.534 176.085 175.900 -0.582 0.000 1.054 8 Y CA 0.660 58.478 58.100 -0.470 0.000 1.534 8 Y CB -1.216 36.897 38.460 -0.579 0.000 0.985 8 Y HN 0.450 nan 8.280 nan 0.000 0.541 9 Y N 3.721 123.889 120.300 -0.220 0.000 2.721 9 Y HA -0.043 4.507 4.550 0.000 0.000 0.329 9 Y C 1.263 177.181 175.900 0.030 0.000 1.211 9 Y CA -0.478 57.566 58.100 -0.092 0.000 1.512 9 Y CB 0.382 38.843 38.460 0.002 0.000 1.249 9 Y HN 0.517 nan 8.280 nan 0.000 0.549 10 R N 3.765 124.427 120.500 0.269 0.000 2.267 10 R HA 0.019 4.359 4.340 0.000 0.000 0.319 10 R C 0.205 176.629 176.300 0.207 0.000 1.067 10 R CA -0.400 55.959 56.100 0.433 0.000 0.936 10 R CB 0.845 31.363 30.300 0.363 0.000 1.006 10 R HN 0.752 nan 8.270 nan 0.000 0.452 11 E N 2.617 122.950 120.200 0.222 0.000 2.016 11 E HA 0.055 4.405 4.350 0.000 0.000 0.190 11 E C 0.496 177.132 176.600 0.060 0.000 0.985 11 E CA 1.445 57.910 56.400 0.109 0.000 0.802 11 E CB 0.191 29.956 29.700 0.107 0.000 0.762 11 E HN 0.906 nan 8.360 nan 0.000 0.448 12 G N 0.276 109.113 108.800 0.063 0.000 2.441 12 G HA2 0.052 4.012 3.960 0.000 0.000 0.233 12 G HA3 0.052 4.012 3.960 0.000 0.000 0.233 12 G C -0.991 173.922 174.900 0.022 0.000 1.703 12 G CA -0.594 44.529 45.100 0.039 0.000 1.020 12 G HN 0.034 nan 8.290 nan 0.000 0.600 13 E N 0.437 120.643 120.200 0.010 0.000 2.388 13 E HA 0.438 4.788 4.350 0.000 0.000 0.289 13 E C -0.278 176.307 176.600 -0.025 0.000 0.944 13 E CA -1.125 55.272 56.400 -0.006 0.000 0.792 13 E CB 1.439 31.136 29.700 -0.006 0.000 1.239 13 E HN 0.421 nan 8.360 nan 0.000 0.412 14 K N 1.691 122.078 120.400 -0.021 0.000 4.838 14 K HA -0.193 4.127 4.320 0.000 0.000 0.300 14 K C -2.321 174.255 176.600 -0.040 0.000 0.861 14 K CA -0.039 56.230 56.287 -0.030 0.000 0.929 14 K CB -0.775 31.704 32.500 -0.036 0.000 1.772 14 K HN 0.316 nan 8.250 nan 0.000 0.422 15 P HA -0.303 nan 4.420 nan 0.000 0.216 15 P C 1.528 178.803 177.300 -0.042 0.000 1.153 15 P CA 1.934 65.018 63.100 -0.026 0.000 0.858 15 P CB 0.145 31.846 31.700 0.001 0.000 0.789 16 S N -0.173 115.505 115.700 -0.036 0.000 2.343 16 S HA -0.199 4.271 4.470 0.000 0.000 0.219 16 S C 2.176 176.744 174.600 -0.053 0.000 1.033 16 S CA 1.286 59.462 58.200 -0.041 0.000 1.014 16 S CB -1.721 61.459 63.200 -0.033 0.000 0.915 16 S HN 0.148 nan 8.310 nan 0.000 0.435 17 A N 2.367 125.154 122.820 -0.055 0.000 1.944 17 A HA -0.151 4.169 4.320 0.000 0.000 0.222 17 A C 2.084 179.615 177.584 -0.090 0.000 1.237 17 A CA 2.162 54.159 52.037 -0.066 0.000 0.668 17 A CB -1.250 17.709 19.000 -0.067 0.000 0.830 17 A HN 0.483 nan 8.150 nan 0.000 0.471 18 L N -1.630 119.525 121.223 -0.113 0.000 1.863 18 L HA -0.119 4.221 4.340 0.000 0.000 0.225 18 L C 2.396 179.206 176.870 -0.100 0.000 1.098 18 L CA 2.141 56.892 54.840 -0.148 0.000 0.814 18 L CB -0.996 40.959 42.059 -0.174 0.000 0.888 18 L HN 0.470 nan 8.230 nan 0.000 0.431 19 R N -0.577 119.873 120.500 -0.083 0.000 2.409 19 R HA -0.386 3.954 4.340 0.000 0.000 0.215 19 R C 2.245 178.509 176.300 -0.060 0.000 0.981 19 R CA 2.667 58.727 56.100 -0.067 0.000 0.691 19 R CB -1.141 29.125 30.300 -0.057 0.000 0.897 19 R HN 0.387 nan 8.270 nan 0.000 0.353 20 R N 0.590 121.056 120.500 -0.056 0.000 2.073 20 R HA -0.106 4.234 4.340 0.000 0.000 0.234 20 R C 2.367 178.638 176.300 -0.049 0.000 1.134 20 R CA 1.622 57.694 56.100 -0.047 0.000 0.952 20 R CB -0.330 29.945 30.300 -0.042 0.000 0.850 20 R HN 0.352 nan 8.270 nan 0.000 0.433 21 A N -0.714 122.069 122.820 -0.062 0.000 1.849 21 A HA -0.054 4.266 4.320 0.000 0.000 0.217 21 A C 1.974 179.523 177.584 -0.058 0.000 1.202 21 A CA 2.168 54.167 52.037 -0.065 0.000 0.629 21 A CB -0.809 18.137 19.000 -0.090 0.000 0.834 21 A HN 0.652 nan 8.150 nan 0.000 0.447 22 G N -3.246 105.514 108.800 -0.067 0.000 4.142 22 G HA2 0.107 4.067 3.960 0.000 0.000 0.200 22 G HA3 0.107 4.067 3.960 0.000 0.000 0.200 22 G C 0.371 175.246 174.900 -0.042 0.000 0.811 22 G CA 0.150 45.221 45.100 -0.048 0.000 0.855 22 G HN 0.277 nan 8.290 nan 0.000 0.455 23 K N -0.075 120.282 120.400 -0.071 0.000 2.202 23 K HA 0.590 4.910 4.320 0.000 0.000 0.238 23 K C -0.468 176.122 176.600 -0.016 0.000 1.070 23 K CA -0.277 55.990 56.287 -0.033 0.000 0.859 23 K CB 0.795 33.202 32.500 -0.154 0.000 1.140 23 K HN 0.384 nan 8.250 nan 0.000 0.515 24 L N 1.693 122.935 121.223 0.031 0.000 2.549 24 L HA 0.226 4.566 4.340 0.000 0.000 0.260 24 L C -2.535 174.314 176.870 -0.035 0.000 1.109 24 L CA -1.321 53.496 54.840 -0.038 0.000 0.900 24 L CB 1.748 43.766 42.059 -0.070 0.000 1.119 24 L HN 0.309 nan 8.230 nan 0.000 0.471 25 P HA 0.194 nan 4.420 nan 0.000 0.264 25 P C -0.186 176.869 177.300 -0.408 0.000 1.173 25 P CA 0.549 63.579 63.100 -0.116 0.000 0.761 25 P CB 0.910 32.563 31.700 -0.078 0.000 0.794 26 G N 0.158 108.716 108.800 -0.405 0.000 2.721 26 G HA2 0.582 4.542 3.960 0.000 0.000 0.296 26 G HA3 0.582 4.542 3.960 0.000 0.000 0.296 26 G C -1.840 172.893 174.900 -0.278 0.000 1.383 26 G CA -0.563 44.166 45.100 -0.619 0.000 0.788 26 G HN 0.571 nan 8.290 nan 0.000 0.500 27 V N 0.308 120.154 119.914 -0.114 0.000 2.924 27 V HA 0.697 4.817 4.120 0.000 0.000 0.300 27 V C -1.036 175.084 176.094 0.044 0.000 1.227 27 V CA -0.754 61.621 62.300 0.126 0.000 0.954 27 V CB 1.969 33.996 31.823 0.339 0.000 1.055 27 V HN 1.123 nan 8.190 nan 0.000 0.429 28 M N 6.684 126.362 119.600 0.130 0.000 2.383 28 M HA 0.941 5.421 4.480 0.000 0.000 0.325 28 M C -1.320 175.032 176.300 0.087 0.000 1.092 28 M CA -0.415 54.922 55.300 0.062 0.000 0.961 28 M CB 2.030 34.758 32.600 0.212 0.000 1.672 28 M HN 0.784 nan 8.290 nan 0.000 0.438 29 Y N -0.281 120.134 120.300 0.193 0.000 2.702 29 Y HA 0.802 5.352 4.550 0.000 0.000 0.336 29 Y C -1.804 174.198 175.900 0.170 0.000 1.203 29 Y CA -1.553 56.627 58.100 0.135 0.000 1.072 29 Y CB 0.768 39.256 38.460 0.046 0.000 1.327 29 Y HN 1.025 nan 8.280 nan 0.000 0.456 30 N N -0.132 118.838 118.700 0.450 0.000 3.339 30 N HA 0.166 4.906 4.740 0.000 0.000 0.275 30 N C -0.022 175.594 175.510 0.175 0.000 1.514 30 N CA -0.631 52.675 53.050 0.427 0.000 0.879 30 N CB 1.143 39.931 38.487 0.502 0.000 1.557 30 N HN 0.912 nan 8.380 nan 0.000 0.524 31 R N -0.690 119.836 120.500 0.044 0.000 2.316 31 R HA -0.077 4.263 4.340 0.000 0.000 0.232 31 R C 0.295 176.470 176.300 -0.209 0.000 1.137 31 R CA 1.416 57.428 56.100 -0.147 0.000 1.012 31 R CB -0.543 29.591 30.300 -0.276 0.000 0.859 31 R HN 0.513 nan 8.270 nan 0.000 0.474 32 H N -0.214 118.935 119.070 0.132 0.000 2.317 32 H HA 0.182 4.738 4.556 0.000 0.000 0.291 32 H C 0.361 175.759 175.328 0.116 0.000 0.999 32 H CA -0.162 55.949 56.048 0.105 0.000 1.336 32 H CB -0.542 29.277 29.762 0.095 0.000 1.485 32 H HN 0.097 nan 8.280 nan 0.000 0.597 33 L N 2.076 123.472 121.223 0.290 0.000 2.418 33 L HA 0.307 4.647 4.340 0.000 0.000 0.265 33 L C -0.172 176.842 176.870 0.241 0.000 1.143 33 L CA 0.066 55.045 54.840 0.232 0.000 0.809 33 L CB 0.557 42.750 42.059 0.224 0.000 1.124 33 L HN 0.209 nan 8.230 nan 0.000 0.456 34 N N 3.200 122.025 118.700 0.208 0.000 2.812 34 N HA 0.310 5.050 4.740 0.000 0.000 0.262 34 N C -1.709 173.899 175.510 0.163 0.000 1.241 34 N CA -0.462 52.721 53.050 0.222 0.000 0.854 34 N CB 0.946 39.522 38.487 0.148 0.000 1.506 34 N HN 0.542 nan 8.380 nan 0.000 0.576 35 R N 1.407 122.016 120.500 0.181 0.000 2.771 35 R HA 0.426 4.766 4.340 0.000 0.000 0.274 35 R C -0.477 175.898 176.300 0.125 0.000 0.987 35 R CA -0.656 55.508 56.100 0.106 0.000 0.908 35 R CB 1.909 32.280 30.300 0.117 0.000 1.213 35 R HN 0.340 nan 8.270 nan 0.000 0.468 36 K N 1.559 121.991 120.400 0.053 0.000 2.276 36 K HA 0.361 4.681 4.320 0.000 0.000 0.285 36 K C 0.341 177.028 176.600 0.145 0.000 1.062 36 K CA -0.471 55.877 56.287 0.101 0.000 0.918 36 K CB 0.977 33.521 32.500 0.073 0.000 1.055 36 K HN 0.385 nan 8.250 nan 0.000 0.477 37 V N 0.078 120.100 119.914 0.181 0.000 3.155 37 V HA 0.731 4.851 4.120 0.000 0.000 0.313 37 V C -1.217 175.025 176.094 0.247 0.000 1.162 37 V CA -1.156 61.267 62.300 0.204 0.000 1.048 37 V CB 1.194 33.170 31.823 0.255 0.000 1.092 37 V HN 0.815 nan 8.190 nan 0.000 0.447 38 Y N 0.064 120.478 120.300 0.190 0.000 2.521 38 Y HA 0.856 5.406 4.550 0.000 0.000 0.328 38 Y C -0.738 175.275 175.900 0.189 0.000 1.151 38 Y CA -0.468 57.709 58.100 0.129 0.000 1.054 38 Y CB 0.820 39.322 38.460 0.070 0.000 1.338 38 Y HN 0.980 nan 8.280 nan 0.000 0.453 39 V N -0.777 119.362 119.914 0.375 0.000 6.094 39 V HA 0.755 4.875 4.120 0.000 0.000 0.284 39 V C -1.412 174.819 176.094 0.230 0.000 1.600 39 V CA 0.008 62.497 62.300 0.314 0.000 0.675 39 V CB 1.651 33.703 31.823 0.381 0.000 1.453 39 V HN 0.925 nan 8.190 nan 0.000 0.402 40 D N -1.294 119.226 120.400 0.200 0.000 2.990 40 D HA 0.420 5.060 4.640 0.000 0.000 0.227 40 D C 0.807 177.191 176.300 0.141 0.000 1.249 40 D CA -0.406 53.667 54.000 0.121 0.000 0.891 40 D CB 2.105 42.954 40.800 0.082 0.000 1.647 40 D HN 0.565 nan 8.370 nan 0.000 0.530 41 L N 2.367 123.635 121.223 0.076 0.000 1.957 41 L HA -0.240 4.100 4.340 0.000 0.000 0.228 41 L C 2.566 179.501 176.870 0.109 0.000 1.086 41 L CA 1.482 56.358 54.840 0.060 0.000 0.796 41 L CB -1.053 41.012 42.059 0.011 0.000 0.900 41 L HN 0.382 nan 8.230 nan 0.000 0.439 42 V N -0.235 119.726 119.914 0.079 0.000 2.363 42 V HA -0.362 3.758 4.120 0.000 0.000 0.254 42 V C 2.407 178.570 176.094 0.115 0.000 1.074 42 V CA 2.267 64.617 62.300 0.084 0.000 1.069 42 V CB -0.308 31.550 31.823 0.060 0.000 0.659 42 V HN 0.511 nan 8.190 nan 0.000 0.455 43 E N -0.897 119.383 120.200 0.134 0.000 1.993 43 E HA -0.216 4.134 4.350 0.000 0.000 0.198 43 E C 1.999 178.716 176.600 0.194 0.000 0.999 43 E CA 1.545 58.033 56.400 0.147 0.000 0.850 43 E CB -0.472 29.323 29.700 0.159 0.000 0.796 43 E HN 0.592 nan 8.360 nan 0.000 0.482 44 F N 2.458 122.466 119.950 0.098 0.000 2.063 44 F HA -0.352 4.175 4.527 0.000 0.000 0.297 44 F C 2.024 177.898 175.800 0.122 0.000 1.099 44 F CA 2.263 60.339 58.000 0.127 0.000 1.220 44 F CB -0.489 38.584 39.000 0.122 0.000 0.972 44 F HN 0.074 nan 8.300 nan 0.000 0.487 45 D N 0.142 120.793 120.400 0.418 0.000 2.182 45 D HA -0.248 4.392 4.640 0.000 0.000 0.193 45 D C 2.226 178.652 176.300 0.209 0.000 0.999 45 D CA 2.072 56.241 54.000 0.282 0.000 0.850 45 D CB -0.429 40.463 40.800 0.154 0.000 0.994 45 D HN 0.250 nan 8.370 nan 0.000 0.450 46 K N -0.649 119.837 120.400 0.144 0.000 2.207 46 K HA -0.189 4.131 4.320 0.000 0.000 0.208 46 K C 2.017 178.664 176.600 0.078 0.000 1.046 46 K CA 1.191 57.541 56.287 0.104 0.000 0.929 46 K CB -0.083 32.470 32.500 0.089 0.000 0.720 46 K HN 0.109 nan 8.250 nan 0.000 0.463 47 V N -0.134 119.808 119.914 0.048 0.000 2.326 47 V HA -0.157 3.963 4.120 0.000 0.000 0.238 47 V C 1.751 177.754 176.094 -0.152 0.000 1.038 47 V CA 1.276 63.527 62.300 -0.081 0.000 1.032 47 V CB -0.524 31.209 31.823 -0.151 0.000 0.675 47 V HN 0.184 nan 8.190 nan 0.000 0.467 48 F N 1.409 121.228 119.950 -0.218 0.000 2.046 48 F HA -0.184 4.343 4.527 0.000 0.000 0.297 48 F C 2.673 178.443 175.800 -0.051 0.000 1.123 48 F CA 1.777 59.689 58.000 -0.147 0.000 1.199 48 F CB -0.486 38.556 39.000 0.071 0.000 0.972 48 F HN -0.069 nan 8.300 nan 0.000 0.474 49 R N 0.216 120.982 120.500 0.443 0.000 2.246 49 R HA -0.277 4.063 4.340 0.000 0.000 0.266 49 R C 1.993 178.395 176.300 0.171 0.000 1.163 49 R CA 2.519 58.801 56.100 0.303 0.000 0.992 49 R CB -0.810 29.600 30.300 0.183 0.000 0.895 49 R HN 0.573 nan 8.270 nan 0.000 0.465 50 Q N -2.677 117.158 119.800 0.059 0.000 2.511 50 Q HA 0.217 4.557 4.340 0.000 0.000 0.236 50 Q C 1.959 177.913 176.000 -0.077 0.000 0.893 50 Q CA 0.505 56.324 55.803 0.028 0.000 0.947 50 Q CB 0.249 29.023 28.738 0.060 0.000 1.110 50 Q HN 0.273 nan 8.270 nan 0.000 0.591 51 A N 0.935 123.542 122.820 -0.355 0.000 1.897 51 A HA -0.062 4.258 4.320 0.000 0.000 0.215 51 A C 1.370 178.604 177.584 -0.583 0.000 1.181 51 A CA 1.247 52.916 52.037 -0.612 0.000 0.620 51 A CB -0.373 17.942 19.000 -1.142 0.000 0.821 51 A HN 0.296 nan 8.150 nan 0.000 0.443 52 S N -1.061 114.031 115.700 -1.014 0.000 4.064 52 S HA -0.286 4.184 4.470 0.000 0.000 0.625 52 S C 0.344 174.036 174.600 -1.512 0.000 2.010 52 S CA 1.913 58.983 58.200 -1.882 0.000 4.186 52 S CB -1.812 60.784 63.200 -1.006 0.000 0.211 52 S HN 1.668 nan 8.310 nan 0.000 0.605 53 I N -0.929 118.949 120.570 -1.153 0.000 2.864 53 I HA 0.549 4.719 4.170 0.000 0.000 0.328 53 I C 0.186 175.926 176.117 -0.628 0.000 1.436 53 I CA -0.711 60.200 61.300 -0.649 0.000 0.821 53 I CB 0.457 38.234 38.000 -0.372 0.000 2.121 53 I HN 0.544 nan 8.210 nan 0.000 0.582 54 H N -0.541 118.317 119.070 -0.354 0.000 3.067 54 H HA 0.384 4.940 4.556 0.000 0.000 0.241 54 H C 0.169 175.230 175.328 -0.446 0.000 0.961 54 H CA 0.230 56.027 56.048 -0.419 0.000 1.123 54 H CB 0.632 30.012 29.762 -0.637 0.000 1.448 54 H HN 0.439 nan 8.280 nan 0.000 0.457 55 H N 0.779 119.886 119.070 0.061 0.000 2.616 55 H HA 0.323 4.879 4.556 0.000 0.000 0.353 55 H C 0.146 175.499 175.328 0.042 0.000 1.170 55 H CA -0.857 55.247 56.048 0.094 0.000 1.212 55 H CB 2.053 31.952 29.762 0.229 0.000 1.653 55 H HN -0.176 nan 8.280 nan 0.000 0.537 56 V N 3.250 123.281 119.914 0.195 0.000 2.740 56 V HA -0.012 4.108 4.120 0.000 0.000 0.303 56 V C 0.563 176.719 176.094 0.103 0.000 1.054 56 V CA 0.051 62.408 62.300 0.095 0.000 1.106 56 V CB 0.133 31.989 31.823 0.055 0.000 0.957 56 V HN 0.420 nan 8.190 nan 0.000 0.486 57 I N 4.868 125.439 120.570 0.002 0.000 2.436 57 I HA 0.456 4.626 4.170 0.000 0.000 0.289 57 I C -0.266 175.785 176.117 -0.109 0.000 1.010 57 I CA -0.670 60.596 61.300 -0.057 0.000 1.098 57 I CB 1.581 39.479 38.000 -0.169 0.000 1.266 57 I HN 0.244 nan 8.210 nan 0.000 0.434 58 V N 6.631 126.487 119.914 -0.097 0.000 2.409 58 V HA 0.448 4.568 4.120 0.000 0.000 0.291 58 V C 0.214 176.214 176.094 -0.157 0.000 1.020 58 V CA -0.636 61.592 62.300 -0.119 0.000 0.848 58 V CB 2.001 33.776 31.823 -0.079 0.000 0.990 58 V HN 0.444 nan 8.190 nan 0.000 0.430 59 L N 4.297 125.398 121.223 -0.204 0.000 2.334 59 L HA 0.533 4.873 4.340 0.000 0.000 0.277 59 L C 0.295 177.063 176.870 -0.170 0.000 1.075 59 L CA -0.434 54.276 54.840 -0.216 0.000 0.804 59 L CB 0.942 42.827 42.059 -0.289 0.000 1.174 59 L HN 0.625 nan 8.230 nan 0.000 0.438 60 E N 4.242 124.343 120.200 -0.165 0.000 2.042 60 E HA 0.327 4.677 4.350 0.000 0.000 0.260 60 E C -0.809 175.642 176.600 -0.249 0.000 0.975 60 E CA -0.299 55.995 56.400 -0.177 0.000 0.799 60 E CB 0.909 30.520 29.700 -0.150 0.000 1.131 60 E HN 0.437 nan 8.360 nan 0.000 0.423 61 L N 3.965 125.031 121.223 -0.261 0.000 2.416 61 L HA 0.073 4.413 4.340 0.000 0.000 0.272 61 L C -1.289 175.363 176.870 -0.364 0.000 1.161 61 L CA -1.544 53.082 54.840 -0.358 0.000 0.845 61 L CB 0.397 42.215 42.059 -0.402 0.000 1.119 61 L HN 0.227 nan 8.230 nan 0.000 0.464 62 P HA -0.195 nan 4.420 nan 0.000 0.219 62 P C -0.253 176.906 177.300 -0.235 0.000 1.147 62 P CA 1.468 64.352 63.100 -0.361 0.000 0.821 62 P CB 0.097 31.597 31.700 -0.333 0.000 0.771 63 D N -1.844 118.414 120.400 -0.238 0.000 2.456 63 D HA 0.285 4.925 4.640 0.000 0.000 0.287 63 D C 1.435 177.650 176.300 -0.142 0.000 1.186 63 D CA 0.246 54.149 54.000 -0.162 0.000 0.916 63 D CB 0.514 41.230 40.800 -0.138 0.000 1.029 63 D HN 0.038 nan 8.370 nan 0.000 0.498 64 G N 2.054 110.778 108.800 -0.126 0.000 4.300 64 G HA2 -0.359 3.601 3.960 0.000 0.000 0.222 64 G HA3 -0.359 3.601 3.960 0.000 0.000 0.222 64 G C 0.654 175.486 174.900 -0.112 0.000 1.344 64 G CA -0.056 44.982 45.100 -0.103 0.000 1.014 64 G HN 0.470 nan 8.290 nan 0.000 0.641 65 Q N 1.080 120.807 119.800 -0.121 0.000 2.957 65 Q HA 0.147 4.487 4.340 0.000 0.000 0.402 65 Q C 0.569 176.500 176.000 -0.115 0.000 1.247 65 Q CA 1.691 57.424 55.803 -0.116 0.000 1.099 65 Q CB 0.004 28.654 28.738 -0.147 0.000 1.215 65 Q HN 1.538 nan 8.270 nan 0.000 0.516 66 S N 1.305 116.950 115.700 -0.092 0.000 2.461 66 S HA 0.518 4.988 4.470 0.000 0.000 0.216 66 S C -0.850 173.705 174.600 -0.075 0.000 1.201 66 S CA -0.897 57.250 58.200 -0.089 0.000 1.171 66 S CB 0.240 63.395 63.200 -0.075 0.000 1.169 66 S HN 0.296 nan 8.310 nan 0.000 0.456 67 L N 3.840 125.012 121.223 -0.085 0.000 2.295 67 L HA 0.617 4.957 4.340 0.000 0.000 0.285 67 L C -2.258 174.566 176.870 -0.076 0.000 1.035 67 L CA -1.947 52.854 54.840 -0.065 0.000 0.806 67 L CB 1.091 43.122 42.059 -0.046 0.000 1.214 67 L HN 0.375 nan 8.230 nan 0.000 0.426 68 P HA 0.231 nan 4.420 nan 0.000 0.282 68 P C -0.774 176.496 177.300 -0.051 0.000 1.274 68 P CA -0.163 62.904 63.100 -0.055 0.000 0.770 68 P CB 1.014 32.686 31.700 -0.046 0.000 0.867 69 T N 1.311 115.830 114.554 -0.059 0.000 2.696 69 T HA 0.797 5.147 4.350 0.000 0.000 0.291 69 T C -0.684 174.021 174.700 0.008 0.000 1.095 69 T CA -0.828 61.259 62.100 -0.021 0.000 1.026 69 T CB 1.270 70.108 68.868 -0.050 0.000 1.390 69 T HN 0.234 nan 8.240 nan 0.000 0.513 70 L N -0.072 121.216 121.223 0.108 0.000 2.540 70 L HA 0.636 4.976 4.340 0.000 0.000 0.256 70 L C -1.260 175.769 176.870 0.265 0.000 1.001 70 L CA -1.445 53.472 54.840 0.128 0.000 0.843 70 L CB 2.690 44.809 42.059 0.099 0.000 1.436 70 L HN 0.584 nan 8.230 nan 0.000 0.410 71 V N 1.773 121.819 119.914 0.220 0.000 2.348 71 V HA 0.342 4.462 4.120 0.000 0.000 0.270 71 V C 0.880 177.057 176.094 0.138 0.000 1.037 71 V CA -0.618 61.839 62.300 0.261 0.000 0.872 71 V CB 1.013 33.055 31.823 0.365 0.000 1.002 71 V HN 0.676 nan 8.190 nan 0.000 0.464 72 R N 2.187 122.751 120.500 0.108 0.000 2.193 72 R HA 0.141 4.481 4.340 0.000 0.000 0.213 72 R C 0.576 176.892 176.300 0.026 0.000 1.055 72 R CA 0.598 56.737 56.100 0.065 0.000 0.995 72 R CB 0.054 30.388 30.300 0.056 0.000 0.893 72 R HN 0.857 nan 8.270 nan 0.000 0.459 73 Q N -0.736 119.085 119.800 0.035 0.000 2.646 73 Q HA 0.205 4.545 4.340 0.000 0.000 0.260 73 Q C -2.022 173.982 176.000 0.007 0.000 0.975 73 Q CA -0.304 55.510 55.803 0.019 0.000 0.936 73 Q CB 1.706 30.449 28.738 0.009 0.000 1.591 73 Q HN -0.109 nan 8.270 nan 0.000 0.412 74 V N 3.010 122.914 119.914 -0.017 0.000 2.735 74 V HA 0.585 4.705 4.120 0.000 0.000 0.310 74 V C -0.531 175.510 176.094 -0.089 0.000 1.061 74 V CA -0.948 61.301 62.300 -0.084 0.000 0.913 74 V CB 2.187 33.905 31.823 -0.175 0.000 1.005 74 V HN 0.714 nan 8.190 nan 0.000 0.428 75 N N 3.063 121.709 118.700 -0.089 0.000 2.466 75 N HA 0.700 5.440 4.740 0.000 0.000 0.294 75 N C -1.105 174.346 175.510 -0.099 0.000 1.129 75 N CA -0.461 52.543 53.050 -0.077 0.000 0.931 75 N CB 2.252 40.708 38.487 -0.052 0.000 1.193 75 N HN 0.484 nan 8.380 nan 0.000 0.500 76 L N 0.287 121.462 121.223 -0.080 0.000 2.354 76 L HA 0.336 4.676 4.340 0.000 0.000 0.269 76 L C -0.201 176.633 176.870 -0.061 0.000 1.005 76 L CA -0.847 53.945 54.840 -0.080 0.000 0.819 76 L CB 1.789 43.804 42.059 -0.073 0.000 1.311 76 L HN 0.408 nan 8.230 nan 0.000 0.423 77 D N 2.163 122.526 120.400 -0.061 0.000 2.564 77 D HA 0.094 4.734 4.640 0.000 0.000 0.226 77 D C 0.977 177.253 176.300 -0.040 0.000 1.149 77 D CA -0.265 53.707 54.000 -0.048 0.000 0.994 77 D CB 0.464 41.235 40.800 -0.049 0.000 1.029 77 D HN 0.296 nan 8.370 nan 0.000 0.517 78 K N 1.424 121.803 120.400 -0.035 0.000 2.413 78 K HA -0.271 4.049 4.320 0.000 0.000 0.205 78 K C 0.554 177.138 176.600 -0.025 0.000 0.830 78 K CA 1.571 57.842 56.287 -0.028 0.000 0.991 78 K CB -1.054 31.432 32.500 -0.024 0.000 1.171 78 K HN 0.523 nan 8.250 nan 0.000 0.553 79 R N 2.964 123.449 120.500 -0.024 0.000 2.413 79 R HA 0.069 4.409 4.340 0.000 0.000 0.333 79 R C -0.328 175.957 176.300 -0.024 0.000 1.074 79 R CA 0.163 56.251 56.100 -0.021 0.000 0.982 79 R CB -0.334 29.954 30.300 -0.019 0.000 0.981 79 R HN 0.185 nan 8.270 nan 0.000 0.452 80 R N 1.648 122.135 120.500 -0.022 0.000 2.168 80 R HA -0.161 4.179 4.340 0.000 0.000 0.364 80 R C -0.482 175.799 176.300 -0.033 0.000 1.103 80 R CA 0.858 56.944 56.100 -0.023 0.000 0.832 80 R CB -1.462 28.825 30.300 -0.022 0.000 2.561 80 R HN 0.984 nan 8.270 nan 0.000 0.484 81 R N 1.592 122.072 120.500 -0.033 0.000 2.549 81 R HA 0.110 4.450 4.340 0.000 0.000 0.336 81 R C 0.167 176.430 176.300 -0.062 0.000 0.891 81 R CA 0.538 56.610 56.100 -0.047 0.000 1.102 81 R CB 0.558 30.834 30.300 -0.041 0.000 0.899 81 R HN 0.561 nan 8.270 nan 0.000 0.407 82 R N 4.258 124.710 120.500 -0.080 0.000 2.515 82 R HA 0.308 4.648 4.340 0.000 0.000 0.278 82 R C -2.649 173.570 176.300 -0.134 0.000 1.107 82 R CA -2.088 53.954 56.100 -0.098 0.000 0.945 82 R CB 1.993 32.248 30.300 -0.075 0.000 1.219 82 R HN 0.482 nan 8.270 nan 0.000 0.434 83 P HA -0.044 nan 4.420 nan 0.000 0.266 83 P C -0.630 176.553 177.300 -0.194 0.000 1.193 83 P CA 0.261 63.208 63.100 -0.255 0.000 0.770 83 P CB 0.985 32.425 31.700 -0.433 0.000 0.836 84 E N -0.116 119.987 120.200 -0.163 0.000 2.444 84 E HA 0.062 4.412 4.350 0.000 0.000 0.203 84 E C 0.390 176.951 176.600 -0.065 0.000 0.847 84 E CA 0.734 57.076 56.400 -0.096 0.000 1.142 84 E CB 0.384 30.052 29.700 -0.052 0.000 1.125 84 E HN 0.607 nan 8.360 nan 0.000 0.521 85 H N -0.425 118.534 119.070 -0.185 0.000 2.977 85 H HA 0.554 5.110 4.556 0.000 0.000 0.350 85 H C -1.404 173.775 175.328 -0.250 0.000 1.238 85 H CA -0.671 55.270 56.048 -0.177 0.000 1.124 85 H CB 2.038 31.732 29.762 -0.112 0.000 1.866 85 H HN -0.217 nan 8.280 nan 0.000 0.550 86 V N 2.066 121.817 119.914 -0.271 0.000 2.752 86 V HA 0.193 4.313 4.120 0.000 0.000 0.302 86 V C -1.362 174.524 176.094 -0.347 0.000 1.133 86 V CA -1.040 61.082 62.300 -0.297 0.000 0.919 86 V CB 1.713 33.182 31.823 -0.590 0.000 1.026 86 V HN 0.805 nan 8.190 nan 0.000 0.429 87 D N 2.736 123.015 120.400 -0.201 0.000 2.303 87 D HA 0.634 5.274 4.640 0.000 0.000 0.236 87 D C -0.903 175.160 176.300 -0.395 0.000 1.068 87 D CA -0.289 53.563 54.000 -0.248 0.000 0.830 87 D CB 1.178 41.995 40.800 0.027 0.000 1.109 87 D HN 0.350 nan 8.370 nan 0.000 0.496 88 F N 1.427 121.222 119.950 -0.259 0.000 2.420 88 F HA 0.301 4.828 4.527 0.000 0.000 0.342 88 F C 0.053 175.728 175.800 -0.209 0.000 1.113 88 F CA -1.277 56.636 58.000 -0.144 0.000 1.059 88 F CB 1.262 40.236 39.000 -0.043 0.000 1.128 88 F HN 0.293 nan 8.300 nan 0.000 0.475 89 F N 4.654 124.621 119.950 0.028 0.000 2.334 89 F HA 0.339 4.866 4.527 0.000 0.000 0.365 89 F C -0.158 175.667 175.800 0.042 0.000 1.124 89 F CA -1.048 56.956 58.000 0.008 0.000 1.166 89 F CB 0.566 39.603 39.000 0.061 0.000 1.355 89 F HN 0.053 nan 8.300 nan 0.000 0.532 90 V N 7.605 127.760 119.914 0.401 0.000 2.393 90 V HA -0.083 4.037 4.120 0.000 0.000 0.257 90 V C 0.770 176.889 176.094 0.043 0.000 1.040 90 V CA 0.157 62.562 62.300 0.176 0.000 1.097 90 V CB -0.640 31.298 31.823 0.191 0.000 1.101 90 V HN 0.597 nan 8.190 nan 0.000 0.479 91 L N 3.874 125.048 121.223 -0.080 0.000 2.474 91 L HA 0.274 4.614 4.340 0.000 0.000 0.259 91 L C 1.068 177.893 176.870 -0.075 0.000 1.232 91 L CA 0.361 55.097 54.840 -0.174 0.000 0.821 91 L CB 0.740 42.706 42.059 -0.156 0.000 1.108 91 L HN 0.722 nan 8.230 nan 0.000 0.495 92 S N -0.982 114.671 115.700 -0.078 0.000 4.569 92 S HA 0.097 4.567 4.470 0.000 0.000 0.161 92 S C -0.077 174.506 174.600 -0.029 0.000 1.104 92 S CA 0.250 58.436 58.200 -0.024 0.000 1.153 92 S CB 0.392 63.607 63.200 0.026 0.000 2.018 92 S HN 0.929 nan 8.310 nan 0.000 0.800 93 D N -0.227 120.161 120.400 -0.020 0.000 2.042 93 D HA 0.151 4.791 4.640 0.000 0.000 0.351 93 D C -0.282 176.009 176.300 -0.015 0.000 1.053 93 D CA -0.087 53.903 54.000 -0.017 0.000 0.903 93 D CB -0.378 40.420 40.800 -0.003 0.000 1.749 93 D HN 0.081 nan 8.370 nan 0.000 0.537 94 E N 2.782 122.978 120.200 -0.006 0.000 2.481 94 E HA 0.076 4.426 4.350 0.000 0.000 0.263 94 E C -1.933 174.658 176.600 -0.015 0.000 0.992 94 E CA -0.880 55.520 56.400 0.000 0.000 0.938 94 E CB 0.056 29.765 29.700 0.015 0.000 0.933 94 E HN 0.315 nan 8.360 nan 0.000 0.453 95 P HA -0.042 nan 4.420 nan 0.000 0.261 95 P C -0.270 177.032 177.300 0.002 0.000 1.183 95 P CA 0.323 63.423 63.100 -0.001 0.000 0.761 95 P CB 0.734 32.440 31.700 0.010 0.000 0.785 96 V N 2.991 122.900 119.914 -0.008 0.000 3.001 96 V HA 0.365 4.485 4.120 0.000 0.000 0.314 96 V C -0.185 175.939 176.094 0.051 0.000 1.099 96 V CA -0.859 61.444 62.300 0.004 0.000 0.989 96 V CB 2.407 34.170 31.823 -0.099 0.000 1.040 96 V HN 0.393 nan 8.190 nan 0.000 0.434 97 E N 4.164 124.430 120.200 0.110 0.000 2.318 97 E HA 0.819 5.169 4.350 0.000 0.000 0.265 97 E C -0.412 176.301 176.600 0.188 0.000 1.069 97 E CA -0.055 56.432 56.400 0.146 0.000 0.893 97 E CB 1.377 31.183 29.700 0.178 0.000 1.076 97 E HN 0.751 nan 8.360 nan 0.000 0.414 98 M N -0.872 118.867 119.600 0.232 0.000 2.924 98 M HA 0.276 4.756 4.480 0.000 0.000 0.259 98 M C -1.722 174.815 176.300 0.395 0.000 0.924 98 M CA -0.814 54.669 55.300 0.306 0.000 0.805 98 M CB 0.789 33.493 32.600 0.172 0.000 1.684 98 M HN 0.407 nan 8.290 nan 0.000 0.572 99 Y N 0.871 121.229 120.300 0.098 0.000 2.304 99 Y HA 0.693 5.243 4.550 0.000 0.000 0.328 99 Y C -0.075 175.876 175.900 0.085 0.000 1.123 99 Y CA -1.255 56.905 58.100 0.100 0.000 1.218 99 Y CB 1.777 40.328 38.460 0.152 0.000 1.207 99 Y HN 0.457 nan 8.280 nan 0.000 0.495 100 V N 5.481 125.486 119.914 0.152 0.000 2.555 100 V HA 0.322 4.442 4.120 0.000 0.000 0.302 100 V C -2.218 173.859 176.094 -0.029 0.000 1.038 100 V CA -2.582 59.753 62.300 0.058 0.000 0.887 100 V CB 2.071 33.910 31.823 0.027 0.000 0.991 100 V HN 0.581 nan 8.190 nan 0.000 0.434 101 P HA 0.228 nan 4.420 nan 0.000 0.270 101 P C -1.097 176.139 177.300 -0.107 0.000 1.227 101 P CA 0.130 63.108 63.100 -0.203 0.000 0.788 101 P CB 0.449 31.994 31.700 -0.257 0.000 0.926 102 L N 0.773 121.869 121.223 -0.212 0.000 2.371 102 L HA 0.622 4.962 4.340 0.000 0.000 0.262 102 L C 0.140 176.647 176.870 -0.606 0.000 1.006 102 L CA -0.836 53.824 54.840 -0.299 0.000 0.818 102 L CB 2.450 44.330 42.059 -0.298 0.000 1.354 102 L HN 0.233 nan 8.230 nan 0.000 0.415 103 R N 1.263 121.409 120.500 -0.590 0.000 2.561 103 R HA 0.551 4.891 4.340 0.000 0.000 0.297 103 R C -1.729 174.216 176.300 -0.591 0.000 0.969 103 R CA -0.621 55.062 56.100 -0.695 0.000 0.879 103 R CB 1.954 31.934 30.300 -0.532 0.000 1.178 103 R HN 0.345 nan 8.270 nan 0.000 0.445 104 F N 3.137 123.055 119.950 -0.055 0.000 2.303 104 F HA 0.301 4.828 4.527 0.000 0.000 0.368 104 F C 0.445 176.225 175.800 -0.034 0.000 1.105 104 F CA -0.787 57.195 58.000 -0.031 0.000 1.153 104 F CB 0.889 39.876 39.000 -0.023 0.000 1.362 104 F HN 0.059 nan 8.300 nan 0.000 0.511 105 V N 3.157 123.125 119.914 0.090 0.000 3.109 105 V HA 0.905 5.025 4.120 0.000 0.000 0.317 105 V C 0.648 176.776 176.094 0.058 0.000 1.074 105 V CA 0.586 62.914 62.300 0.047 0.000 1.033 105 V CB 1.288 33.122 31.823 0.018 0.000 1.111 105 V HN 1.030 nan 8.190 nan 0.000 0.458 106 G N 3.386 112.209 108.800 0.037 0.000 2.512 106 G HA2 -0.128 3.832 3.960 0.000 0.000 0.240 106 G HA3 -0.128 3.832 3.960 0.000 0.000 0.240 106 G C -0.111 174.808 174.900 0.031 0.000 1.246 106 G CA -0.026 45.092 45.100 0.031 0.000 0.919 106 G HN 1.541 nan 8.290 nan 0.000 0.577 107 T N 2.768 117.336 114.554 0.024 0.000 3.634 107 T HA 0.511 4.861 4.350 0.000 0.000 0.319 107 T C -2.558 172.147 174.700 0.009 0.000 0.773 107 T CA 0.082 62.192 62.100 0.016 0.000 1.085 107 T CB 2.179 71.055 68.868 0.012 0.000 1.025 107 T HN 0.765 nan 8.240 nan 0.000 0.483 108 P HA 0.362 nan 4.420 nan 0.000 0.269 108 P C 0.049 177.346 177.300 -0.006 0.000 1.209 108 P CA -0.386 62.712 63.100 -0.002 0.000 0.776 108 P CB 0.538 32.231 31.700 -0.012 0.000 0.876 109 A N 2.033 124.850 122.820 -0.006 0.000 2.591 109 A HA 0.353 4.673 4.320 0.000 0.000 0.244 109 A C 1.050 178.629 177.584 -0.009 0.000 1.031 109 A CA 0.902 52.936 52.037 -0.006 0.000 0.767 109 A CB -1.374 17.622 19.000 -0.006 0.000 0.942 109 A HN 0.924 nan 8.150 nan 0.000 0.514 110 G N 0.869 109.665 108.800 -0.007 0.000 3.250 110 G HA2 0.432 4.392 3.960 0.000 0.000 0.235 110 G HA3 0.432 4.392 3.960 0.000 0.000 0.235 110 G C -0.273 174.623 174.900 -0.006 0.000 3.899 110 G CA 0.447 45.542 45.100 -0.009 0.000 0.435 110 G HN 1.994 nan 8.290 nan 0.000 0.310 111 V N 1.148 121.060 119.914 -0.004 0.000 3.062 111 V HA 0.220 4.340 4.120 0.000 0.000 0.230 111 V C 2.147 178.240 176.094 -0.001 0.000 1.664 111 V CA 1.746 64.044 62.300 -0.002 0.000 1.076 111 V CB -0.023 31.799 31.823 -0.001 0.000 1.030 111 V HN 0.386 nan 8.190 nan 0.000 0.437 112 R N 1.797 122.296 120.500 -0.002 0.000 2.082 112 R HA 0.045 4.385 4.340 0.000 0.000 0.234 112 R C 1.939 178.238 176.300 -0.001 0.000 1.136 112 R CA 2.738 58.838 56.100 -0.001 0.000 0.935 112 R CB -0.633 29.666 30.300 -0.001 0.000 0.842 112 R HN 0.626 nan 8.270 nan 0.000 0.430 113 A N -1.839 120.980 122.820 -0.002 0.000 2.220 113 A HA 0.482 4.802 4.320 0.000 0.000 0.211 113 A C 0.900 178.483 177.584 -0.003 0.000 1.176 113 A CA 0.720 52.756 52.037 -0.002 0.000 0.834 113 A CB 0.043 19.042 19.000 -0.003 0.000 0.868 113 A HN 0.570 nan 8.150 nan 0.000 0.488 114 G N -1.513 107.285 108.800 -0.003 0.000 2.418 114 G HA2 0.449 4.409 3.960 0.000 0.000 0.206 114 G HA3 0.449 4.409 3.960 0.000 0.000 0.206 114 G C 0.744 175.640 174.900 -0.007 0.000 1.202 114 G CA 0.148 45.246 45.100 -0.004 0.000 1.061 114 G HN 2.409 nan 8.290 nan 0.000 0.563 115 G N -2.336 106.459 108.800 -0.008 0.000 3.172 115 G HA2 0.416 4.376 3.960 0.000 0.000 0.686 115 G HA3 0.416 4.376 3.960 0.000 0.000 0.686 115 G C -0.577 174.314 174.900 -0.016 0.000 1.009 115 G CA 0.363 45.456 45.100 -0.012 0.000 0.787 115 G HN 1.852 nan 8.290 nan 0.000 0.559 116 V N 4.210 124.112 119.914 -0.020 0.000 2.769 116 V HA 0.763 4.883 4.120 0.000 0.000 0.312 116 V C 1.352 177.421 176.094 -0.043 0.000 1.061 116 V CA -0.396 61.888 62.300 -0.027 0.000 0.931 116 V CB 1.732 33.544 31.823 -0.020 0.000 1.010 116 V HN 1.222 nan 8.190 nan 0.000 0.433 117 L N 1.844 123.029 121.223 -0.064 0.000 2.367 117 L HA 0.424 4.764 4.340 0.000 0.000 0.215 117 L C -0.050 176.759 176.870 -0.102 0.000 1.197 117 L CA -0.070 54.707 54.840 -0.106 0.000 0.836 117 L CB 0.150 42.106 42.059 -0.172 0.000 1.242 117 L HN 0.763 nan 8.230 nan 0.000 0.553 118 Q N 0.047 119.760 119.800 -0.145 0.000 2.759 118 Q HA 0.129 4.469 4.340 0.000 0.000 0.225 118 Q C -1.244 174.667 176.000 -0.149 0.000 0.823 118 Q CA -0.405 55.335 55.803 -0.105 0.000 0.828 118 Q CB 0.958 29.661 28.738 -0.059 0.000 1.425 118 Q HN 0.755 nan 8.270 nan 0.000 0.449 119 E N 5.040 125.146 120.200 -0.157 0.000 2.188 119 E HA -0.080 4.270 4.350 0.000 0.000 0.243 119 E C 0.477 177.089 176.600 0.020 0.000 1.269 119 E CA -0.051 56.273 56.400 -0.126 0.000 0.979 119 E CB 0.125 29.877 29.700 0.087 0.000 1.076 119 E HN 0.565 nan 8.360 nan 0.000 0.452 120 I N 1.565 122.141 120.570 0.009 0.000 3.334 120 I HA -0.107 4.063 4.170 0.000 0.000 0.282 120 I C 0.735 176.965 176.117 0.189 0.000 1.313 120 I CA 1.026 62.370 61.300 0.075 0.000 1.396 120 I CB -1.705 36.328 38.000 0.055 0.000 1.054 120 I HN 0.748 nan 8.210 nan 0.000 0.495 121 H N -0.269 118.869 119.070 0.113 0.000 5.000 121 H HA 0.080 4.636 4.556 0.000 0.000 0.625 121 H C 1.481 176.918 175.328 0.182 0.000 1.601 121 H CA -0.216 55.909 56.048 0.129 0.000 1.397 121 H CB 0.101 29.921 29.762 0.096 0.000 3.673 121 H HN -0.026 nan 8.280 nan 0.000 0.635 122 R N 0.771 121.478 120.500 0.345 0.000 2.301 122 R HA -0.248 4.092 4.340 0.000 0.000 0.250 122 R C -0.588 175.767 176.300 0.091 0.000 1.102 122 R CA 2.739 58.992 56.100 0.255 0.000 0.933 122 R CB -0.115 30.306 30.300 0.202 0.000 0.955 122 R HN 0.624 nan 8.270 nan 0.000 0.439 123 D N -1.016 119.443 120.400 0.099 0.000 2.819 123 D HA 0.396 5.036 4.640 0.000 0.000 0.232 123 D C -0.204 175.992 176.300 -0.173 0.000 1.160 123 D CA -0.772 53.212 54.000 -0.027 0.000 0.858 123 D CB 1.485 42.308 40.800 0.038 0.000 1.610 123 D HN 0.368 nan 8.370 nan 0.000 0.481 124 I N -1.498 118.870 120.570 -0.336 0.000 2.750 124 I HA 0.604 4.774 4.170 0.000 0.000 0.308 124 I C -1.142 174.801 176.117 -0.289 0.000 1.016 124 I CA -1.426 59.575 61.300 -0.498 0.000 1.098 124 I CB 1.922 39.608 38.000 -0.524 0.000 1.279 124 I HN 0.452 nan 8.210 nan 0.000 0.454 125 L N 5.588 126.559 121.223 -0.420 0.000 2.307 125 L HA 0.732 5.072 4.340 0.000 0.000 0.282 125 L C -0.866 175.949 176.870 -0.091 0.000 1.051 125 L CA -0.719 53.974 54.840 -0.245 0.000 0.804 125 L CB 1.484 43.327 42.059 -0.361 0.000 1.197 125 L HN 0.709 nan 8.230 nan 0.000 0.431 126 V N 1.470 121.377 119.914 -0.011 0.000 2.851 126 V HA 0.423 4.543 4.120 0.000 0.000 0.307 126 V C -0.592 175.518 176.094 0.028 0.000 1.129 126 V CA -1.176 61.124 62.300 0.001 0.000 0.932 126 V CB 1.543 33.361 31.823 -0.008 0.000 1.024 126 V HN 0.782 nan 8.190 nan 0.000 0.426 127 K N 2.198 122.614 120.400 0.027 0.000 2.416 127 K HA 0.637 4.957 4.320 0.000 0.000 0.283 127 K C -0.868 175.745 176.600 0.023 0.000 1.037 127 K CA 0.114 56.421 56.287 0.033 0.000 0.995 127 K CB 1.067 33.585 32.500 0.030 0.000 0.938 127 K HN 0.869 nan 8.250 nan 0.000 0.475 128 V N 2.328 122.255 119.914 0.022 0.000 3.204 128 V HA 0.240 4.360 4.120 0.000 0.000 0.298 128 V C -1.440 174.655 176.094 0.003 0.000 1.328 128 V CA -0.735 61.571 62.300 0.011 0.000 1.035 128 V CB 2.417 34.246 31.823 0.010 0.000 1.095 128 V HN 0.848 nan 8.190 nan 0.000 0.442 129 S N 4.327 120.025 115.700 -0.004 0.000 2.499 129 S HA 0.489 4.959 4.470 0.000 0.000 0.279 129 S C -1.675 172.915 174.600 -0.018 0.000 1.219 129 S CA -1.099 57.094 58.200 -0.012 0.000 1.062 129 S CB 1.577 64.771 63.200 -0.009 0.000 0.978 129 S HN 0.667 nan 8.310 nan 0.000 0.489 130 P HA -0.210 nan 4.420 nan 0.000 0.219 130 P C 1.137 178.422 177.300 -0.025 0.000 1.158 130 P CA 1.582 64.662 63.100 -0.034 0.000 0.895 130 P CB 0.054 31.723 31.700 -0.051 0.000 0.792 131 R N -1.548 118.938 120.500 -0.024 0.000 2.185 131 R HA -0.092 4.248 4.340 0.000 0.000 0.247 131 R C 0.230 176.517 176.300 -0.021 0.000 1.159 131 R CA 0.911 56.997 56.100 -0.022 0.000 0.988 131 R CB -0.719 29.569 30.300 -0.020 0.000 0.871 131 R HN 0.353 nan 8.270 nan 0.000 0.458 132 N N 0.378 119.067 118.700 -0.018 0.000 2.448 132 N HA 0.321 5.062 4.740 0.000 0.000 0.279 132 N C -1.051 174.451 175.510 -0.012 0.000 1.025 132 N CA -0.277 52.761 53.050 -0.019 0.000 0.898 132 N CB 2.055 40.531 38.487 -0.019 0.000 1.303 132 N HN -0.018 nan 8.380 nan 0.000 0.495 133 I N 3.071 123.635 120.570 -0.009 0.000 2.649 133 I HA 0.162 4.332 4.170 0.000 0.000 0.275 133 I C -2.082 174.041 176.117 0.009 0.000 1.180 133 I CA -1.413 59.892 61.300 0.008 0.000 1.049 133 I CB 1.846 39.860 38.000 0.024 0.000 1.234 133 I HN 0.172 nan 8.210 nan 0.000 0.506 134 P HA 0.025 nan 4.420 nan 0.000 0.263 134 P C 0.354 177.650 177.300 -0.007 0.000 1.175 134 P CA 0.361 63.432 63.100 -0.048 0.000 0.761 134 P CB 1.336 32.999 31.700 -0.062 0.000 0.794 135 E N 1.517 121.680 120.200 -0.061 0.000 2.006 135 E HA -0.063 4.287 4.350 0.000 0.000 0.192 135 E C 0.455 177.154 176.600 0.166 0.000 0.993 135 E CA 1.253 57.707 56.400 0.090 0.000 0.808 135 E CB -0.166 29.488 29.700 -0.077 0.000 0.764 135 E HN 0.644 nan 8.360 nan 0.000 0.449 136 F N -1.257 118.717 119.950 0.039 0.000 2.645 136 F HA 0.577 5.104 4.527 0.000 0.000 0.310 136 F C -1.051 174.713 175.800 -0.059 0.000 1.102 136 F CA -1.386 56.592 58.000 -0.036 0.000 0.952 136 F CB 0.896 39.864 39.000 -0.055 0.000 1.326 136 F HN -0.289 nan 8.300 nan 0.000 0.456 137 I N 1.495 122.195 120.570 0.216 0.000 2.607 137 I HA 0.367 4.537 4.170 0.000 0.000 0.305 137 I C -0.414 175.794 176.117 0.151 0.000 0.995 137 I CA -0.899 60.465 61.300 0.108 0.000 1.148 137 I CB 2.108 40.115 38.000 0.012 0.000 1.323 137 I HN 0.666 nan 8.210 nan 0.000 0.461 138 E N 3.267 123.529 120.200 0.105 0.000 2.277 138 E HA 0.418 4.768 4.350 0.000 0.000 0.274 138 E C -1.233 175.386 176.600 0.032 0.000 1.022 138 E CA -0.660 55.785 56.400 0.074 0.000 0.853 138 E CB 2.201 31.955 29.700 0.091 0.000 1.086 138 E HN 0.199 nan 8.360 nan 0.000 0.397 139 V N 3.043 122.976 119.914 0.032 0.000 2.305 139 V HA 0.024 4.144 4.120 0.000 0.000 0.275 139 V C -0.305 175.847 176.094 0.097 0.000 1.020 139 V CA -0.775 61.584 62.300 0.099 0.000 0.811 139 V CB 0.881 32.858 31.823 0.258 0.000 1.031 139 V HN 0.690 nan 8.190 nan 0.000 0.439 140 D N 3.091 123.531 120.400 0.066 0.000 2.652 140 D HA -0.010 4.630 4.640 0.000 0.000 0.247 140 D C 0.205 176.532 176.300 0.045 0.000 1.232 140 D CA 0.058 54.087 54.000 0.049 0.000 0.863 140 D CB 0.751 41.571 40.800 0.033 0.000 1.023 140 D HN 0.280 nan 8.370 nan 0.000 0.474 141 V N 0.754 120.706 119.914 0.063 0.000 2.407 141 V HA 0.500 4.620 4.120 0.000 0.000 0.278 141 V C 0.374 176.487 176.094 0.033 0.000 1.037 141 V CA 0.359 62.682 62.300 0.039 0.000 0.900 141 V CB 1.338 33.182 31.823 0.034 0.000 0.983 141 V HN 0.480 nan 8.190 nan 0.000 0.459 142 S N 2.951 118.660 115.700 0.015 0.000 2.725 142 S HA 0.139 4.609 4.470 0.000 0.000 0.196 142 S C 0.569 175.171 174.600 0.003 0.000 0.803 142 S CA 0.198 58.404 58.200 0.011 0.000 1.452 142 S CB -0.585 62.626 63.200 0.019 0.000 1.273 142 S HN 1.272 nan 8.310 nan 0.000 0.575 143 G N 1.648 110.447 108.800 -0.001 0.000 3.993 143 G HA2 0.541 4.501 3.960 0.000 0.000 0.294 143 G HA3 0.541 4.501 3.960 0.000 0.000 0.294 143 G C -0.468 174.426 174.900 -0.010 0.000 1.043 143 G CA -0.158 44.939 45.100 -0.004 0.000 0.839 143 G HN 0.321 nan 8.290 nan 0.000 0.516 144 L N 0.583 121.797 121.223 -0.014 0.000 2.436 144 L HA 0.577 4.917 4.340 0.000 0.000 0.268 144 L C -0.156 176.702 176.870 -0.020 0.000 0.974 144 L CA -0.937 53.891 54.840 -0.019 0.000 0.826 144 L CB 1.634 43.675 42.059 -0.029 0.000 1.291 144 L HN 0.144 nan 8.230 nan 0.000 0.406 145 E N 2.745 122.935 120.200 -0.017 0.000 4.138 145 E HA 0.307 4.657 4.350 0.000 0.000 0.369 145 E C 1.353 177.943 176.600 -0.018 0.000 0.995 145 E CA -0.112 56.279 56.400 -0.016 0.000 2.264 145 E CB 0.347 30.040 29.700 -0.011 0.000 1.876 145 E HN 0.526 nan 8.360 nan 0.000 0.697 146 I N -1.029 119.533 120.570 -0.014 0.000 2.908 146 I HA 0.049 4.219 4.170 0.000 0.000 0.271 146 I C 1.159 177.269 176.117 -0.012 0.000 1.275 146 I CA 0.951 62.243 61.300 -0.014 0.000 1.446 146 I CB -1.118 36.877 38.000 -0.010 0.000 1.092 146 I HN 0.252 nan 8.210 nan 0.000 0.482 147 G N 2.311 111.103 108.800 -0.012 0.000 2.394 147 G HA2 -0.037 3.923 3.960 0.000 0.000 0.256 147 G HA3 -0.037 3.923 3.960 0.000 0.000 0.256 147 G C 0.038 174.931 174.900 -0.011 0.000 1.504 147 G CA 0.622 45.716 45.100 -0.009 0.000 1.051 147 G HN 0.655 nan 8.290 nan 0.000 0.550 148 D N -1.118 119.276 120.400 -0.011 0.000 1.984 148 D HA 0.343 4.983 4.640 0.000 0.000 0.251 148 D C 0.546 176.828 176.300 -0.030 0.000 1.191 148 D CA 0.788 54.781 54.000 -0.011 0.000 0.951 148 D CB -0.100 40.691 40.800 -0.016 0.000 1.290 148 D HN 0.825 nan 8.370 nan 0.000 0.517 149 S N -2.678 112.986 115.700 -0.061 0.000 2.595 149 S HA 0.478 4.948 4.470 0.000 0.000 0.270 149 S C -1.055 173.389 174.600 -0.261 0.000 1.145 149 S CA -1.162 56.978 58.200 -0.099 0.000 0.825 149 S CB 0.725 63.904 63.200 -0.034 0.000 1.107 149 S HN 0.909 nan 8.310 nan 0.000 0.461 150 L N 0.068 121.143 121.223 -0.247 0.000 2.344 150 L HA 1.017 5.357 4.340 0.000 0.000 0.272 150 L C -0.439 176.251 176.870 -0.300 0.000 1.035 150 L CA -0.470 54.151 54.840 -0.364 0.000 0.807 150 L CB -0.188 41.785 42.059 -0.144 0.000 1.237 150 L HN 1.216 nan 8.230 nan 0.000 0.442 151 H N -0.133 118.958 119.070 0.036 0.000 2.902 151 H HA 0.800 5.356 4.556 0.000 0.000 0.297 151 H C 0.311 175.662 175.328 0.038 0.000 1.406 151 H CA -0.381 55.694 56.048 0.045 0.000 1.134 151 H CB 0.062 29.850 29.762 0.042 0.000 1.833 151 H HN 1.070 nan 8.280 nan 0.000 0.527 152 A N 0.110 123.067 122.820 0.228 0.000 5.481 152 A HA -0.309 4.011 4.320 0.000 0.000 0.318 152 A C 1.288 178.926 177.584 0.089 0.000 1.837 152 A CA 1.810 53.926 52.037 0.133 0.000 0.717 152 A CB -2.049 17.031 19.000 0.132 0.000 1.349 152 A HN 1.509 nan 8.150 nan 0.000 0.388 153 S N 0.982 116.726 115.700 0.073 0.000 4.053 153 S HA 0.358 4.828 4.470 0.000 0.000 0.184 153 S C -0.277 174.346 174.600 0.039 0.000 1.324 153 S CA 0.713 58.941 58.200 0.046 0.000 0.956 153 S CB -1.175 62.047 63.200 0.038 0.000 1.503 153 S HN 0.448 nan 8.310 nan 0.000 0.440 154 D N 1.845 122.267 120.400 0.035 0.000 2.650 154 D HA 0.316 4.956 4.640 0.000 0.000 0.265 154 D C -0.556 175.756 176.300 0.021 0.000 1.339 154 D CA -0.012 53.999 54.000 0.018 0.000 0.816 154 D CB 0.459 41.256 40.800 -0.004 0.000 1.091 154 D HN 0.410 nan 8.370 nan 0.000 0.483 155 L N 0.459 121.695 121.223 0.021 0.000 2.386 155 L HA 0.388 4.728 4.340 0.000 0.000 0.271 155 L C 0.747 177.624 176.870 0.011 0.000 0.993 155 L CA -0.898 53.953 54.840 0.018 0.000 0.819 155 L CB 2.775 44.842 42.059 0.014 0.000 1.294 155 L HN -0.284 nan 8.230 nan 0.000 0.414 156 K N 4.077 124.482 120.400 0.009 0.000 2.989 156 K HA 0.187 4.507 4.320 0.000 0.000 0.264 156 K C -0.330 176.268 176.600 -0.004 0.000 1.228 156 K CA -0.303 55.986 56.287 0.003 0.000 1.186 156 K CB -0.441 32.061 32.500 0.003 0.000 1.409 156 K HN 0.529 nan 8.250 nan 0.000 0.271 157 L N 4.613 125.834 121.223 -0.003 0.000 2.827 157 L HA 0.007 4.347 4.340 0.000 0.000 0.280 157 L C -1.442 175.421 176.870 -0.011 0.000 1.122 157 L CA -1.221 53.614 54.840 -0.008 0.000 1.044 157 L CB -0.790 41.266 42.059 -0.005 0.000 1.402 157 L HN 0.338 nan 8.230 nan 0.000 0.467 158 P HA 0.025 nan 4.420 nan 0.000 0.275 158 P C -2.473 174.818 177.300 -0.016 0.000 1.262 158 P CA -0.934 62.154 63.100 -0.021 0.000 0.834 158 P CB -0.576 31.104 31.700 -0.033 0.000 1.098 159 P HA 0.108 nan 4.420 nan 0.000 0.268 159 P C 0.864 178.157 177.300 -0.012 0.000 1.204 159 P CA 1.429 64.522 63.100 -0.013 0.000 0.768 159 P CB -0.270 31.421 31.700 -0.014 0.000 0.842 160 G N 1.922 110.718 108.800 -0.007 0.000 2.148 160 G HA2 -0.232 3.728 3.960 0.000 0.000 0.254 160 G HA3 -0.232 3.728 3.960 0.000 0.000 0.254 160 G C 0.305 175.203 174.900 -0.003 0.000 0.981 160 G CA 0.017 45.114 45.100 -0.004 0.000 0.670 160 G HN 0.471 nan 8.290 nan 0.000 0.528 161 V N 1.604 121.515 119.914 -0.004 0.000 3.023 161 V HA 0.247 4.367 4.120 0.000 0.000 0.384 161 V C 1.009 177.102 176.094 -0.001 0.000 1.289 161 V CA 0.267 62.565 62.300 -0.004 0.000 1.383 161 V CB -0.140 31.677 31.823 -0.010 0.000 1.388 161 V HN 0.696 nan 8.190 nan 0.000 0.551 162 E N 2.141 122.343 120.200 0.003 0.000 2.271 162 E HA 0.169 4.519 4.350 0.000 0.000 0.255 162 E C 0.239 176.843 176.600 0.006 0.000 1.177 162 E CA -0.465 55.938 56.400 0.006 0.000 0.946 162 E CB 0.204 29.909 29.700 0.008 0.000 1.009 162 E HN 0.684 nan 8.360 nan 0.000 0.451 163 L N 1.144 122.369 121.223 0.003 0.000 2.653 163 L HA 0.073 4.413 4.340 0.000 0.000 0.288 163 L C 0.037 176.909 176.870 0.004 0.000 1.243 163 L CA 0.049 54.889 54.840 -0.000 0.000 0.906 163 L CB 0.089 42.150 42.059 0.004 0.000 1.154 163 L HN 0.580 nan 8.230 nan 0.000 0.498 164 A N 4.515 127.333 122.820 -0.002 0.000 2.937 164 A HA 0.659 4.979 4.320 0.000 0.000 0.338 164 A C 0.374 177.957 177.584 -0.002 0.000 1.273 164 A CA -0.394 51.646 52.037 0.005 0.000 0.937 164 A CB 0.529 19.538 19.000 0.015 0.000 1.133 164 A HN 0.716 nan 8.150 nan 0.000 0.491 165 V N -0.094 119.824 119.914 0.007 0.000 5.804 165 V HA 0.193 4.313 4.120 0.000 0.000 0.088 165 V C 1.672 177.775 176.094 0.015 0.000 0.886 165 V CA 0.877 63.186 62.300 0.015 0.000 1.231 165 V CB 0.316 32.160 31.823 0.035 0.000 2.101 165 V HN 0.484 nan 8.190 nan 0.000 0.525 166 S N 0.042 115.752 115.700 0.017 0.000 2.942 166 S HA 0.300 4.770 4.470 0.000 0.000 0.220 166 S C -1.900 172.705 174.600 0.008 0.000 0.945 166 S CA 0.274 58.479 58.200 0.008 0.000 0.851 166 S CB -0.518 62.681 63.200 -0.003 0.000 0.820 166 S HN 0.687 nan 8.310 nan 0.000 0.624 167 P HA 0.647 nan 4.420 nan 0.000 0.292 167 P C -0.615 176.691 177.300 0.009 0.000 1.287 167 P CA 0.295 63.408 63.100 0.023 0.000 0.800 167 P CB 1.940 33.660 31.700 0.034 0.000 0.945 168 E N 0.629 120.827 120.200 -0.002 0.000 1.452 168 E HA -0.059 4.291 4.350 0.000 0.000 0.199 168 E C -0.165 176.354 176.600 -0.134 0.000 0.890 168 E CA 0.024 56.365 56.400 -0.098 0.000 1.031 168 E CB -0.940 28.695 29.700 -0.108 0.000 4.262 168 E HN 0.423 nan 8.360 nan 0.000 0.686 169 E N 2.126 122.323 120.200 -0.004 0.000 2.406 169 E HA 0.055 4.405 4.350 0.000 0.000 0.247 169 E C -0.375 176.308 176.600 0.138 0.000 1.160 169 E CA 0.736 57.164 56.400 0.046 0.000 0.950 169 E CB -0.017 29.752 29.700 0.114 0.000 0.993 169 E HN 0.229 nan 8.360 nan 0.000 0.472 170 T N 3.292 117.902 114.554 0.093 0.000 2.704 170 T HA -0.037 4.313 4.350 0.000 0.000 0.271 170 T C 1.329 176.155 174.700 0.211 0.000 1.000 170 T CA 0.227 62.475 62.100 0.248 0.000 1.216 170 T CB -0.237 68.739 68.868 0.179 0.000 0.961 170 T HN 0.558 nan 8.240 nan 0.000 0.515 171 I N 0.106 120.811 120.570 0.226 0.000 3.883 171 I HA 0.640 4.810 4.170 0.000 0.000 0.326 171 I C 0.631 176.826 176.117 0.130 0.000 1.283 171 I CA -0.774 60.656 61.300 0.216 0.000 1.161 171 I CB -0.478 37.636 38.000 0.189 0.000 1.012 171 I HN 0.833 nan 8.210 nan 0.000 0.421 172 A N 1.074 123.921 122.820 0.046 0.000 2.549 172 A HA 0.854 5.174 4.320 0.000 0.000 0.291 172 A C -1.547 175.995 177.584 -0.071 0.000 1.034 172 A CA -0.032 51.950 52.037 -0.091 0.000 0.655 172 A CB 0.823 19.710 19.000 -0.188 0.000 1.299 172 A HN 0.741 nan 8.150 nan 0.000 0.427 173 A N -0.145 122.608 122.820 -0.112 0.000 2.583 173 A HA 0.644 4.964 4.320 0.000 0.000 0.298 173 A C -1.480 176.053 177.584 -0.084 0.000 1.055 173 A CA -0.168 51.826 52.037 -0.072 0.000 0.714 173 A CB 0.713 19.696 19.000 -0.027 0.000 1.277 173 A HN 1.903 nan 8.150 nan 0.000 0.406 174 V N 1.941 121.817 119.914 -0.064 0.000 2.483 174 V HA 0.741 4.861 4.120 0.000 0.000 0.295 174 V C 0.218 176.291 176.094 -0.036 0.000 1.035 174 V CA -0.217 62.049 62.300 -0.056 0.000 0.896 174 V CB 1.263 33.056 31.823 -0.050 0.000 0.986 174 V HN 1.524 nan 8.190 nan 0.000 0.447 175 V N 2.720 122.615 119.914 -0.031 0.000 3.130 175 V HA 0.754 4.874 4.120 0.000 0.000 0.310 175 V C -2.912 173.172 176.094 -0.016 0.000 1.158 175 V CA -2.873 59.415 62.300 -0.020 0.000 1.029 175 V CB 1.911 33.723 31.823 -0.018 0.000 1.057 175 V HN 0.626 nan 8.190 nan 0.000 0.436 176 P HA 0.265 nan 4.420 nan 0.000 0.270 176 P C -2.336 174.960 177.300 -0.008 0.000 1.227 176 P CA -0.334 62.761 63.100 -0.008 0.000 0.788 176 P CB -0.128 31.569 31.700 -0.006 0.000 0.926 177 P HA 0.202 nan 4.420 nan 0.000 0.344 177 P C -0.679 176.619 177.300 -0.003 0.000 1.321 177 P CA 0.076 63.173 63.100 -0.004 0.000 0.773 177 P CB 0.641 32.339 31.700 -0.004 0.000 1.723 178 E N 0.361 120.560 120.200 -0.002 0.000 2.373 178 E HA 0.512 4.862 4.350 0.000 0.000 0.233 178 E C -0.049 176.550 176.600 -0.001 0.000 1.035 178 E CA 0.174 56.573 56.400 -0.001 0.000 0.930 178 E CB -0.708 28.992 29.700 -0.000 0.000 1.278 178 E HN 0.632 nan 8.360 nan 0.000 0.452 179 D N 0.000 120.399 120.400 -0.001 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