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 3c87_1_B DATA FIRST_RESID 4 DATA SEQUENCE LKVGSESWWQ SKHGPEWQRL NDEXFEVTFW WRDPQGSEEY STIKRVWVYI DATA SEQUENCE TGVTDHXXXS QPQSXQRIAG TDVWQWTTQL NANWRGSYCF IPTERDDIFS DATA SEQUENCE AXXXDRLELR EGWRKLLPQA IADPLNPQSW KGGLGHAVSA LEXPQAPLQP DATA SEQUENCE GWDCPQAPEI PAKEIIWKSE RLKNSRRVWI FTTGDVTAEE RPLAVLLDGE DATA SEQUENCE FWAQSXPVWP VLTSLTHRQQ LPPAVYVLID AIDTTHRAHE LPCNADFWLA DATA SEQUENCE VQQELLPLVK VIAPFSDRAD RTVVAGQSFG GLSALYAGLH WPERFGCVLS DATA SEQUENCE QSGSYWWPHR XXQQEGVLLE KLKAGEVSAE GLRIVLEAGI REPXIXRANQ DATA SEQUENCE ALYAQLHPIK ESIFWRQVDG GHDALCWRGG LXQGLIDLWQ PLF 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.924 176.870 0.089 0.000 1.165 4 L CA 0.000 54.904 54.840 0.107 0.000 0.813 4 L CB 0.000 42.105 42.059 0.078 0.000 0.961 5 K N 1.107 121.524 120.400 0.029 0.000 2.339 5 K HA 0.448 4.769 4.320 0.002 0.000 0.286 5 K C -0.843 175.619 176.600 -0.230 0.000 1.050 5 K CA -0.379 55.866 56.287 -0.069 0.000 0.956 5 K CB 0.779 33.248 32.500 -0.052 0.000 0.990 5 K HN 0.320 nan 8.250 nan 0.000 0.475 6 V N 4.181 123.814 119.914 -0.468 0.000 2.557 6 V HA 0.009 4.130 4.120 0.002 0.000 0.301 6 V C 1.468 177.017 176.094 -0.908 0.000 1.026 6 V CA 1.546 63.176 62.300 -1.116 0.000 1.137 6 V CB 0.320 31.633 31.823 -0.849 0.000 0.917 6 V HN 1.190 nan 8.190 nan 0.000 0.484 7 G N 3.685 111.731 108.800 -1.256 0.000 2.179 7 G HA2 -0.266 3.695 3.960 0.002 0.000 0.260 7 G HA3 -0.266 3.695 3.960 0.002 0.000 0.260 7 G C 0.428 175.391 174.900 0.105 0.000 0.977 7 G CA 0.379 45.235 45.100 -0.408 0.000 0.641 7 G HN 1.286 nan 8.290 nan 0.000 0.533 8 S N -0.230 115.502 115.700 0.054 0.000 2.608 8 S HA 0.515 4.986 4.470 0.002 0.000 0.261 8 S C 1.240 176.046 174.600 0.344 0.000 1.314 8 S CA 0.773 59.078 58.200 0.175 0.000 0.992 8 S CB 1.676 64.939 63.200 0.104 0.000 0.935 8 S HN 0.466 nan 8.310 nan 0.000 0.564 9 E N 1.143 121.495 120.200 0.254 0.000 2.077 9 E HA -0.133 4.218 4.350 0.002 0.000 0.193 9 E C 2.041 178.783 176.600 0.235 0.000 0.989 9 E CA 2.117 58.669 56.400 0.253 0.000 0.800 9 E CB -0.766 29.015 29.700 0.135 0.000 0.746 9 E HN 0.757 nan 8.360 nan 0.000 0.452 10 S N -0.756 115.043 115.700 0.165 0.000 2.371 10 S HA -0.141 4.330 4.470 0.002 0.000 0.224 10 S C 1.933 176.586 174.600 0.088 0.000 1.029 10 S CA 0.740 59.004 58.200 0.106 0.000 0.978 10 S CB -1.150 62.091 63.200 0.069 0.000 0.833 10 S HN 0.539 nan 8.310 nan 0.000 0.466 11 W N 1.481 122.735 121.300 -0.076 0.000 2.305 11 W HA -0.154 4.507 4.660 0.002 0.000 0.308 11 W C 1.609 177.952 176.519 -0.292 0.000 1.226 11 W CA 1.419 58.629 57.345 -0.224 0.000 1.253 11 W CB -0.542 28.727 29.460 -0.319 0.000 1.146 11 W HN 0.324 nan 8.180 nan 0.000 0.507 12 W N 0.050 121.421 121.300 0.118 0.000 2.595 12 W HA -0.092 4.569 4.660 0.002 0.000 0.257 12 W C 2.436 178.861 176.519 -0.157 0.000 1.267 12 W CA 1.117 58.447 57.345 -0.024 0.000 1.300 12 W CB -0.378 29.149 29.460 0.113 0.000 1.120 12 W HN -0.012 nan 8.180 nan 0.000 0.618 13 Q N -0.609 119.221 119.800 0.051 0.000 2.269 13 Q HA -0.102 4.239 4.340 0.002 0.000 0.201 13 Q C 2.165 178.119 176.000 -0.077 0.000 0.946 13 Q CA 1.451 57.265 55.803 0.020 0.000 0.877 13 Q CB -0.218 28.538 28.738 0.030 0.000 0.963 13 Q HN 0.220 nan 8.270 nan 0.000 0.472 14 S N -0.158 115.403 115.700 -0.232 0.000 2.607 14 S HA 0.076 4.547 4.470 0.002 0.000 0.224 14 S C 0.454 174.812 174.600 -0.403 0.000 0.969 14 S CA -0.020 58.002 58.200 -0.295 0.000 0.927 14 S CB 0.207 63.156 63.200 -0.418 0.000 0.772 14 S HN -0.056 nan 8.310 nan 0.000 0.533 15 K N 2.253 122.412 120.400 -0.402 0.000 2.182 15 K HA 0.302 4.623 4.320 0.002 0.000 0.262 15 K C 0.397 176.916 176.600 -0.134 0.000 0.957 15 K CA -0.491 55.523 56.287 -0.455 0.000 0.842 15 K CB 1.040 33.250 32.500 -0.483 0.000 1.099 15 K HN 0.554 nan 8.250 nan 0.000 0.438 16 H N -0.451 118.636 119.070 0.027 0.000 3.233 16 H HA 0.318 4.875 4.556 0.002 0.000 0.263 16 H C 0.550 175.992 175.328 0.189 0.000 1.168 16 H CA -0.193 55.909 56.048 0.090 0.000 1.159 16 H CB 1.042 30.822 29.762 0.031 0.000 1.593 16 H HN 0.733 nan 8.280 nan 0.000 0.580 17 G N 1.490 110.446 108.800 0.260 0.000 2.316 17 G HA2 -0.079 3.882 3.960 0.002 0.000 0.349 17 G HA3 -0.079 3.882 3.960 0.002 0.000 0.349 17 G C -3.068 172.051 174.900 0.365 0.000 1.274 17 G CA -1.110 44.237 45.100 0.412 0.000 1.018 17 G HN 0.060 nan 8.290 nan 0.000 0.486 18 P HA 0.336 nan 4.420 nan 0.000 0.267 18 P C -0.354 177.068 177.300 0.204 0.000 1.200 18 P CA 0.521 63.718 63.100 0.161 0.000 0.772 18 P CB 0.524 32.153 31.700 -0.118 0.000 0.855 19 E N 1.452 121.713 120.200 0.100 0.000 2.227 19 E HA 0.594 4.945 4.350 0.002 0.000 0.268 19 E C -1.011 175.647 176.600 0.096 0.000 0.907 19 E CA -0.593 55.761 56.400 -0.077 0.000 0.786 19 E CB 1.305 31.011 29.700 0.010 0.000 1.191 19 E HN 0.462 nan 8.360 nan 0.000 0.411 20 W N 0.856 122.192 121.300 0.061 0.000 3.083 20 W HA 0.503 5.164 4.660 0.002 0.000 0.333 20 W C -1.495 175.145 176.519 0.201 0.000 1.217 20 W CA -0.789 56.618 57.345 0.103 0.000 1.170 20 W CB 0.699 30.217 29.460 0.096 0.000 1.437 20 W HN 0.436 nan 8.180 nan 0.000 0.557 21 Q N 0.922 121.007 119.800 0.475 0.000 2.472 21 Q HA 0.469 4.810 4.340 0.002 0.000 0.281 21 Q C -1.211 174.754 176.000 -0.059 0.000 0.997 21 Q CA -1.272 54.701 55.803 0.283 0.000 0.828 21 Q CB 2.391 31.174 28.738 0.076 0.000 1.443 21 Q HN 0.734 nan 8.270 nan 0.000 0.390 22 R N 0.864 121.047 120.500 -0.529 0.000 2.537 22 R HA 0.098 4.439 4.340 0.002 0.000 0.280 22 R C -0.158 175.847 176.300 -0.492 0.000 1.058 22 R CA -0.058 55.355 56.100 -1.145 0.000 1.057 22 R CB 0.497 30.308 30.300 -0.816 0.000 0.973 22 R HN 0.734 nan 8.270 nan 0.000 0.438 23 L N 3.098 124.064 121.223 -0.428 0.000 2.286 23 L HA 0.224 4.565 4.340 0.002 0.000 0.203 23 L C -0.166 176.602 176.870 -0.169 0.000 1.068 23 L CA 1.295 56.008 54.840 -0.211 0.000 0.811 23 L CB -0.346 41.629 42.059 -0.140 0.000 0.989 23 L HN 0.952 nan 8.230 nan 0.000 0.467 24 N N -4.594 113.997 118.700 -0.182 0.000 3.449 24 N HA 0.082 4.823 4.740 0.002 0.000 0.312 24 N C 0.022 175.478 175.510 -0.090 0.000 1.557 24 N CA -0.241 52.744 53.050 -0.109 0.000 0.864 24 N CB -0.278 38.172 38.487 -0.061 0.000 1.799 24 N HN -0.300 nan 8.380 nan 0.000 0.554 25 D N -0.410 119.970 120.400 -0.032 0.000 2.218 25 D HA -0.034 4.607 4.640 0.002 0.000 0.204 25 D C -0.214 176.114 176.300 0.047 0.000 0.976 25 D CA 1.422 55.427 54.000 0.008 0.000 0.853 25 D CB 0.126 40.936 40.800 0.017 0.000 0.939 25 D HN 0.524 nan 8.370 nan 0.000 0.481 29 E N 2.087 122.348 120.200 0.102 0.000 2.313 29 E HA 0.666 5.017 4.350 0.002 0.000 0.276 29 E C -1.551 175.111 176.600 0.104 0.000 1.031 29 E CA -0.360 56.062 56.400 0.038 0.000 0.857 29 E CB 1.242 30.937 29.700 -0.008 0.000 1.040 29 E HN 0.404 nan 8.360 nan 0.000 0.408 30 V N 3.570 123.469 119.914 -0.025 0.000 2.577 30 V HA 0.303 4.424 4.120 0.002 0.000 0.303 30 V C -0.412 175.553 176.094 -0.215 0.000 1.042 30 V CA -0.871 61.384 62.300 -0.074 0.000 0.872 30 V CB 2.030 33.740 31.823 -0.188 0.000 0.998 30 V HN 0.703 nan 8.190 nan 0.000 0.423 31 T N 5.099 119.519 114.554 -0.223 0.000 2.797 31 T HA 0.719 5.070 4.350 0.002 0.000 0.279 31 T C -0.734 173.725 174.700 -0.402 0.000 0.991 31 T CA -0.116 61.817 62.100 -0.278 0.000 0.979 31 T CB 0.814 69.561 68.868 -0.202 0.000 0.943 31 T HN 0.313 nan 8.240 nan 0.000 0.444 32 F N 1.470 121.325 119.950 -0.159 0.000 2.450 32 F HA 0.651 5.179 4.527 0.002 0.000 0.332 32 F C -0.511 175.186 175.800 -0.171 0.000 1.093 32 F CA -0.962 57.082 58.000 0.073 0.000 1.003 32 F CB 1.527 40.718 39.000 0.320 0.000 1.151 32 F HN 0.515 nan 8.300 nan 0.000 0.474 33 W N 2.256 123.893 121.300 0.562 0.000 2.739 33 W HA 0.453 5.114 4.660 0.002 0.000 0.331 33 W C -1.557 175.352 176.519 0.650 0.000 1.049 33 W CA -0.873 56.800 57.345 0.547 0.000 1.234 33 W CB 1.651 31.394 29.460 0.471 0.000 1.404 33 W HN 0.470 nan 8.180 nan 0.000 0.477 34 W N 5.026 126.691 121.300 0.607 0.000 2.900 34 W HA 0.528 5.189 4.660 0.002 0.000 0.336 34 W C -0.972 175.797 176.519 0.418 0.000 1.064 34 W CA -1.517 56.031 57.345 0.339 0.000 1.237 34 W CB 1.247 30.583 29.460 -0.208 0.000 1.391 34 W HN 0.258 nan 8.180 nan 0.000 0.468 35 R N 4.526 124.611 120.500 -0.692 0.000 2.221 35 R HA 0.143 4.484 4.340 0.002 0.000 0.327 35 R C -0.503 174.988 176.300 -1.349 0.000 1.033 35 R CA -0.385 55.105 56.100 -1.016 0.000 0.887 35 R CB 0.738 30.045 30.300 -1.656 0.000 1.057 35 R HN 0.428 nan 8.270 nan 0.000 0.455 36 D N 6.011 125.935 120.400 -0.794 0.000 2.338 36 D HA 0.097 4.738 4.640 0.002 0.000 0.255 36 D C -1.676 174.384 176.300 -0.400 0.000 1.237 36 D CA -2.216 51.353 54.000 -0.720 0.000 0.883 36 D CB 1.802 42.651 40.800 0.082 0.000 1.087 36 D HN 0.376 nan 8.370 nan 0.000 0.485 37 P HA -0.096 nan 4.420 nan 0.000 0.220 37 P C 0.611 177.874 177.300 -0.062 0.000 1.148 37 P CA 1.045 64.040 63.100 -0.174 0.000 0.803 37 P CB 0.227 31.875 31.700 -0.086 0.000 0.782 38 Q N -0.749 119.055 119.800 0.007 0.000 2.322 38 Q HA 0.290 4.631 4.340 0.002 0.000 0.203 38 Q C 1.098 177.165 176.000 0.112 0.000 0.923 38 Q CA 0.274 56.117 55.803 0.068 0.000 0.949 38 Q CB -0.179 28.626 28.738 0.111 0.000 1.039 38 Q HN 0.173 nan 8.270 nan 0.000 0.496 39 G N 1.270 110.116 108.800 0.078 0.000 2.512 39 G HA2 -0.309 3.652 3.960 0.002 0.000 0.240 39 G HA3 -0.309 3.652 3.960 0.002 0.000 0.240 39 G C 0.029 175.026 174.900 0.162 0.000 1.246 39 G CA -0.249 44.922 45.100 0.118 0.000 0.919 39 G HN 0.485 nan 8.290 nan 0.000 0.577 40 S N 0.222 116.031 115.700 0.182 0.000 2.640 40 S HA 0.485 4.956 4.470 0.002 0.000 0.262 40 S C 1.593 176.238 174.600 0.075 0.000 1.232 40 S CA 0.939 59.198 58.200 0.097 0.000 0.988 40 S CB 1.380 64.617 63.200 0.062 0.000 1.034 40 S HN 1.500 nan 8.310 nan 0.000 0.569 41 E N 0.134 120.329 120.200 -0.007 0.000 2.268 41 E HA -0.235 4.116 4.350 0.002 0.000 0.195 41 E C 1.563 178.112 176.600 -0.085 0.000 0.995 41 E CA 1.436 57.827 56.400 -0.015 0.000 0.836 41 E CB -0.543 29.125 29.700 -0.052 0.000 0.763 41 E HN 0.896 nan 8.360 nan 0.000 0.491 42 E N -0.411 119.663 120.200 -0.210 0.000 2.153 42 E HA -0.186 4.165 4.350 0.002 0.000 0.194 42 E C 0.820 177.073 176.600 -0.579 0.000 0.988 42 E CA 1.230 57.343 56.400 -0.478 0.000 0.811 42 E CB 0.010 29.261 29.700 -0.748 0.000 0.746 42 E HN 0.373 nan 8.360 nan 0.000 0.466 43 Y N -0.927 119.391 120.300 0.030 0.000 2.526 43 Y HA 0.289 4.840 4.550 0.002 0.000 0.265 43 Y C 0.970 176.900 175.900 0.049 0.000 1.092 43 Y CA -0.145 57.974 58.100 0.032 0.000 1.277 43 Y CB 0.332 38.806 38.460 0.024 0.000 1.228 43 Y HN -0.153 nan 8.280 nan 0.000 0.507 44 S N 0.608 116.421 115.700 0.189 0.000 2.565 44 S HA 0.103 4.574 4.470 0.002 0.000 0.276 44 S C 1.397 176.083 174.600 0.142 0.000 1.326 44 S CA 0.235 58.543 58.200 0.180 0.000 1.045 44 S CB 0.645 63.986 63.200 0.234 0.000 0.918 44 S HN 0.483 nan 8.310 nan 0.000 0.505 45 T N 2.194 116.824 114.554 0.127 0.000 3.113 45 T HA 0.214 4.565 4.350 0.002 0.000 0.256 45 T C 0.612 175.370 174.700 0.098 0.000 1.131 45 T CA 0.058 62.214 62.100 0.093 0.000 1.074 45 T CB -0.285 68.624 68.868 0.068 0.000 0.944 45 T HN 0.440 nan 8.240 nan 0.000 0.516 46 I N 2.448 123.108 120.570 0.150 0.000 2.325 46 I HA 0.362 4.533 4.170 0.002 0.000 0.291 46 I C 0.866 177.094 176.117 0.185 0.000 1.019 46 I CA -0.552 60.809 61.300 0.102 0.000 1.302 46 I CB 1.381 39.428 38.000 0.079 0.000 1.401 46 I HN 0.085 nan 8.210 nan 0.000 0.485 47 K N 5.494 125.941 120.400 0.078 0.000 2.335 47 K HA 0.246 4.567 4.320 0.002 0.000 0.195 47 K C 0.491 177.153 176.600 0.103 0.000 1.058 47 K CA 0.266 56.642 56.287 0.147 0.000 0.988 47 K CB 0.789 33.332 32.500 0.073 0.000 0.880 47 K HN 0.462 nan 8.250 nan 0.000 0.513 48 R N 0.239 120.617 120.500 -0.204 0.000 2.774 48 R HA 0.473 4.814 4.340 0.002 0.000 0.272 48 R C -1.046 174.711 176.300 -0.906 0.000 1.000 48 R CA -0.790 54.994 56.100 -0.527 0.000 0.906 48 R CB 2.134 32.056 30.300 -0.631 0.000 1.227 48 R HN -0.258 nan 8.270 nan 0.000 0.468 49 V N 1.571 120.813 119.914 -1.120 0.000 2.488 49 V HA 0.361 4.482 4.120 0.002 0.000 0.293 49 V C -1.111 174.470 176.094 -0.854 0.000 1.027 49 V CA -0.993 60.690 62.300 -1.029 0.000 0.862 49 V CB 1.389 32.483 31.823 -1.214 0.000 1.008 49 V HN 0.607 nan 8.190 nan 0.000 0.428 50 W N 3.478 124.612 121.300 -0.278 0.000 2.322 50 W HA 0.588 5.249 4.660 0.002 0.000 0.307 50 W C -0.029 176.387 176.519 -0.171 0.000 1.220 50 W CA -0.739 56.520 57.345 -0.142 0.000 1.210 50 W CB 1.314 30.890 29.460 0.192 0.000 1.223 50 W HN 0.321 nan 8.180 nan 0.000 0.511 51 V N 4.885 124.682 119.914 -0.194 0.000 2.408 51 V HA 0.011 4.132 4.120 0.002 0.000 0.267 51 V C -0.709 175.294 176.094 -0.153 0.000 1.047 51 V CA -0.737 61.457 62.300 -0.175 0.000 0.937 51 V CB -0.207 31.322 31.823 -0.491 0.000 0.999 51 V HN 0.375 nan 8.190 nan 0.000 0.472 52 Y N 6.438 126.638 120.300 -0.165 0.000 2.417 52 Y HA 0.575 5.126 4.550 0.002 0.000 0.336 52 Y C -0.011 175.769 175.900 -0.200 0.000 0.961 52 Y CA -0.752 57.161 58.100 -0.312 0.000 1.215 52 Y CB 0.855 39.105 38.460 -0.350 0.000 1.120 52 Y HN 0.549 nan 8.280 nan 0.000 0.499 53 I N 6.204 126.436 120.570 -0.563 0.000 2.304 53 I HA 0.165 4.336 4.170 0.002 0.000 0.291 53 I C 0.247 176.109 176.117 -0.426 0.000 1.018 53 I CA -0.658 60.468 61.300 -0.289 0.000 1.260 53 I CB 1.214 39.075 38.000 -0.233 0.000 1.390 53 I HN 0.562 nan 8.210 nan 0.000 0.475 54 T N 5.077 119.532 114.554 -0.166 0.000 2.866 54 T HA 0.081 4.432 4.350 0.002 0.000 0.293 54 T C 1.304 175.946 174.700 -0.098 0.000 1.005 54 T CA 0.921 62.938 62.100 -0.139 0.000 1.162 54 T CB 0.528 69.392 68.868 -0.006 0.000 0.968 54 T HN 1.088 nan 8.240 nan 0.000 0.530 55 G N 1.954 110.611 108.800 -0.237 0.000 2.175 55 G HA2 -0.280 3.681 3.960 0.002 0.000 0.265 55 G HA3 -0.280 3.681 3.960 0.002 0.000 0.265 55 G C 0.695 175.329 174.900 -0.443 0.000 0.979 55 G CA 0.471 45.404 45.100 -0.280 0.000 0.663 55 G HN 0.662 nan 8.290 nan 0.000 0.533 56 V N -0.908 118.732 119.914 -0.456 0.000 3.054 56 V HA 0.060 4.181 4.120 0.002 0.000 0.227 56 V C 2.603 178.420 176.094 -0.462 0.000 1.252 56 V CA 2.101 64.180 62.300 -0.367 0.000 1.279 56 V CB -0.507 31.150 31.823 -0.277 0.000 1.118 56 V HN 0.289 nan 8.190 nan 0.000 0.504 57 T N 0.057 114.232 114.554 -0.631 0.000 2.746 57 T HA -0.195 4.156 4.350 0.002 0.000 0.267 57 T C 1.624 175.975 174.700 -0.583 0.000 1.039 57 T CA 1.861 63.561 62.100 -0.667 0.000 1.142 57 T CB -0.269 67.971 68.868 -1.046 0.000 0.866 57 T HN 0.337 nan 8.240 nan 0.000 0.444 58 D N 0.490 120.513 120.400 -0.627 0.000 2.097 58 D HA -0.019 4.622 4.640 0.002 0.000 0.197 58 D C 1.012 177.324 176.300 0.019 0.000 0.984 58 D CA 0.844 54.700 54.000 -0.241 0.000 0.826 58 D CB -0.146 40.625 40.800 -0.049 0.000 0.973 58 D HN 0.598 nan 8.370 nan 0.000 0.460 64 Q N 1.450 121.244 119.800 -0.009 0.000 2.286 64 Q HA 0.482 4.823 4.340 0.002 0.000 0.265 64 Q C -2.339 173.655 176.000 -0.010 0.000 1.080 64 Q CA -0.896 54.888 55.803 -0.032 0.000 0.906 64 Q CB -0.148 28.604 28.738 0.024 0.000 1.227 64 Q HN 0.490 nan 8.270 nan 0.000 0.409 65 P HA -0.092 nan 4.420 nan 0.000 0.264 65 P C -1.138 176.344 177.300 0.304 0.000 1.183 65 P CA 0.375 63.480 63.100 0.008 0.000 0.763 65 P CB 0.540 31.969 31.700 -0.451 0.000 0.807 66 Q N 1.144 121.125 119.800 0.301 0.000 2.241 66 Q HA 0.377 4.718 4.340 0.002 0.000 0.254 66 Q C 0.285 176.270 176.000 -0.025 0.000 0.917 66 Q CA -0.442 55.506 55.803 0.241 0.000 0.919 66 Q CB 1.726 30.676 28.738 0.353 0.000 1.237 66 Q HN 0.426 nan 8.270 nan 0.000 0.434 70 R N 2.494 122.535 120.500 -0.765 0.000 2.438 70 R HA 0.395 4.736 4.340 0.002 0.000 0.287 70 R C -0.131 175.896 176.300 -0.456 0.000 1.077 70 R CA -0.285 55.196 56.100 -1.031 0.000 1.034 70 R CB 0.455 29.847 30.300 -1.513 0.000 0.993 70 R HN 0.606 nan 8.270 nan 0.000 0.459 71 I N 4.407 124.796 120.570 -0.301 0.000 2.494 71 I HA 0.042 4.213 4.170 0.002 0.000 0.289 71 I C 0.813 176.802 176.117 -0.213 0.000 1.106 71 I CA -0.050 61.132 61.300 -0.198 0.000 1.369 71 I CB 0.918 38.830 38.000 -0.147 0.000 1.410 71 I HN 0.671 nan 8.210 nan 0.000 0.523 72 A N 5.120 127.831 122.820 -0.182 0.000 2.531 72 A HA 0.395 4.716 4.320 0.002 0.000 0.236 72 A C 1.414 178.922 177.584 -0.126 0.000 1.062 72 A CA 0.577 52.519 52.037 -0.158 0.000 0.760 72 A CB -0.155 18.771 19.000 -0.123 0.000 0.995 72 A HN 1.219 nan 8.150 nan 0.000 0.501 73 G N 0.918 109.653 108.800 -0.108 0.000 2.179 73 G HA2 -0.135 3.826 3.960 0.002 0.000 0.260 73 G HA3 -0.135 3.826 3.960 0.002 0.000 0.260 73 G C 0.600 175.465 174.900 -0.059 0.000 0.977 73 G CA 1.353 46.407 45.100 -0.076 0.000 0.641 73 G HN 2.449 nan 8.290 nan 0.000 0.533 74 T N -2.551 111.956 114.554 -0.079 0.000 2.864 74 T HA 0.565 4.916 4.350 0.002 0.000 0.289 74 T C 0.384 175.082 174.700 -0.003 0.000 1.082 74 T CA 0.534 62.607 62.100 -0.045 0.000 1.009 74 T CB 1.914 70.718 68.868 -0.107 0.000 1.234 74 T HN 0.284 nan 8.240 nan 0.000 0.526 75 D N 0.069 120.522 120.400 0.089 0.000 2.336 75 D HA 0.165 4.806 4.640 0.002 0.000 0.228 75 D C 0.077 176.557 176.300 0.300 0.000 1.120 75 D CA -0.285 53.805 54.000 0.150 0.000 0.839 75 D CB -0.496 40.358 40.800 0.090 0.000 0.932 75 D HN 0.336 nan 8.370 nan 0.000 0.509 76 V N 1.084 121.149 119.914 0.253 0.000 2.364 76 V HA 0.321 4.442 4.120 0.002 0.000 0.272 76 V C -0.602 175.670 176.094 0.297 0.000 1.036 76 V CA -0.801 61.779 62.300 0.467 0.000 0.880 76 V CB 0.365 32.280 31.823 0.155 0.000 0.991 76 V HN 0.085 nan 8.190 nan 0.000 0.460 77 W N 3.754 125.320 121.300 0.442 0.000 2.606 77 W HA 0.731 5.392 4.660 0.002 0.000 0.332 77 W C 0.077 176.776 176.519 0.301 0.000 1.052 77 W CA -0.438 57.096 57.345 0.316 0.000 1.223 77 W CB 1.605 31.271 29.460 0.343 0.000 1.383 77 W HN 0.641 nan 8.180 nan 0.000 0.524 78 Q N 1.298 121.288 119.800 0.316 0.000 2.462 78 Q HA 0.715 5.056 4.340 0.002 0.000 0.285 78 Q C -1.953 174.120 176.000 0.123 0.000 1.035 78 Q CA -0.957 54.841 55.803 -0.008 0.000 0.799 78 Q CB 2.767 31.184 28.738 -0.534 0.000 1.452 78 Q HN 0.479 nan 8.270 nan 0.000 0.404 79 W N 0.990 122.198 121.300 -0.153 0.000 3.573 79 W HA 0.601 5.262 4.660 0.002 0.000 0.306 79 W C -1.825 174.696 176.519 0.004 0.000 1.227 79 W CA -0.149 57.172 57.345 -0.040 0.000 1.212 79 W CB 2.375 31.835 29.460 0.001 0.000 1.331 79 W HN 0.751 nan 8.180 nan 0.000 0.524 80 T N 4.196 118.436 114.554 -0.523 0.000 2.807 80 T HA 0.596 4.947 4.350 0.002 0.000 0.279 80 T C -0.414 173.697 174.700 -0.981 0.000 0.993 80 T CA -0.195 61.575 62.100 -0.550 0.000 0.970 80 T CB 1.861 70.539 68.868 -0.316 0.000 0.950 80 T HN 0.388 nan 8.240 nan 0.000 0.441 81 T N 1.670 115.737 114.554 -0.812 0.000 2.676 81 T HA 0.645 4.996 4.350 0.002 0.000 0.269 81 T C -1.760 172.748 174.700 -0.319 0.000 0.952 81 T CA -0.705 60.975 62.100 -0.701 0.000 1.040 81 T CB 1.527 69.852 68.868 -0.904 0.000 1.352 81 T HN 0.732 nan 8.240 nan 0.000 0.554 82 Q N 1.327 120.990 119.800 -0.229 0.000 2.285 82 Q HA 0.726 5.067 4.340 0.002 0.000 0.269 82 Q C -1.812 174.103 176.000 -0.142 0.000 1.030 82 Q CA -0.849 54.875 55.803 -0.131 0.000 0.788 82 Q CB 1.698 30.380 28.738 -0.092 0.000 1.266 82 Q HN 0.491 nan 8.270 nan 0.000 0.438 83 L N 2.058 123.212 121.223 -0.116 0.000 2.354 83 L HA 0.495 4.836 4.340 0.002 0.000 0.264 83 L C -0.294 176.569 176.870 -0.012 0.000 1.008 83 L CA -1.109 53.618 54.840 -0.187 0.000 0.819 83 L CB 2.252 44.093 42.059 -0.363 0.000 1.339 83 L HN 0.734 nan 8.230 nan 0.000 0.420 84 N N 0.322 119.032 118.700 0.017 0.000 2.395 84 N HA 0.033 4.774 4.740 0.002 0.000 0.246 84 N C 0.828 176.430 175.510 0.154 0.000 1.246 84 N CA 0.360 53.478 53.050 0.113 0.000 0.879 84 N CB 0.905 39.475 38.487 0.139 0.000 1.098 84 N HN 0.789 nan 8.380 nan 0.000 0.444 85 A N 1.932 124.873 122.820 0.201 0.000 2.070 85 A HA -0.174 4.147 4.320 0.002 0.000 0.220 85 A C 1.383 178.967 177.584 0.000 0.000 1.159 85 A CA 1.273 53.420 52.037 0.184 0.000 0.656 85 A CB -0.376 18.847 19.000 0.372 0.000 0.800 85 A HN 0.856 nan 8.150 nan 0.000 0.453 86 N N -2.045 116.687 118.700 0.053 0.000 2.238 86 N HA 0.005 4.746 4.740 0.002 0.000 0.222 86 N C -0.179 175.339 175.510 0.014 0.000 1.133 86 N CA -0.584 52.469 53.050 0.005 0.000 0.854 86 N CB -0.527 37.969 38.487 0.015 0.000 1.041 86 N HN 0.536 nan 8.380 nan 0.000 0.510 87 W N 2.430 123.654 121.300 -0.126 0.000 2.216 87 W HA 0.276 4.937 4.660 0.002 0.000 0.326 87 W C 0.293 176.722 176.519 -0.150 0.000 1.319 87 W CA -0.353 56.921 57.345 -0.117 0.000 1.213 87 W CB 0.607 30.005 29.460 -0.104 0.000 1.171 87 W HN -0.002 nan 8.180 nan 0.000 0.557 88 R N 4.807 124.751 120.500 -0.926 0.000 2.628 88 R HA 0.741 5.082 4.340 0.002 0.000 0.288 88 R C -0.548 174.774 176.300 -1.629 0.000 0.980 88 R CA -0.211 55.300 56.100 -0.982 0.000 0.891 88 R CB 1.456 31.445 30.300 -0.518 0.000 1.188 88 R HN 0.774 nan 8.270 nan 0.000 0.450 89 G N 0.851 108.825 108.800 -1.377 0.000 2.340 89 G HA2 0.228 4.189 3.960 0.002 0.000 0.299 89 G HA3 0.228 4.189 3.960 0.002 0.000 0.299 89 G C -1.529 173.324 174.900 -0.077 0.000 1.291 89 G CA -0.347 44.278 45.100 -0.792 0.000 0.841 89 G HN 0.701 nan 8.290 nan 0.000 0.500 90 S N -1.202 114.559 115.700 0.101 0.000 2.681 90 S HA 0.907 5.378 4.470 0.002 0.000 0.299 90 S C -0.609 174.153 174.600 0.270 0.000 1.113 90 S CA -0.428 57.870 58.200 0.163 0.000 1.013 90 S CB 1.634 64.835 63.200 0.002 0.000 1.076 90 S HN 1.864 nan 8.310 nan 0.000 0.534 91 Y N -2.164 118.137 120.300 0.002 0.000 2.655 91 Y HA 0.809 5.360 4.550 0.002 0.000 0.336 91 Y C -0.610 175.181 175.900 -0.181 0.000 1.154 91 Y CA -1.505 56.562 58.100 -0.056 0.000 1.055 91 Y CB 0.587 39.043 38.460 -0.008 0.000 1.295 91 Y HN 1.130 nan 8.280 nan 0.000 0.465 92 C N -0.349 118.844 119.300 -0.179 0.000 3.236 92 C HA 0.833 5.294 4.460 0.002 0.000 0.312 92 C C -1.506 173.384 174.990 -0.168 0.000 1.374 92 C CA -0.981 57.820 59.018 -0.362 0.000 1.455 92 C CB 1.129 28.722 27.740 -0.245 0.000 1.834 92 C HN 0.746 nan 8.230 nan 0.000 0.460 93 F N 0.658 120.534 119.950 -0.125 0.000 2.470 93 F HA 0.760 5.288 4.527 0.002 0.000 0.329 93 F C 0.339 175.974 175.800 -0.275 0.000 1.072 93 F CA -1.925 55.939 58.000 -0.226 0.000 0.989 93 F CB 1.267 40.023 39.000 -0.406 0.000 1.193 93 F HN 0.468 nan 8.300 nan 0.000 0.481 94 I N 3.839 124.381 120.570 -0.048 0.000 2.668 94 I HA 0.250 4.421 4.170 0.002 0.000 0.276 94 I C -2.661 173.311 176.117 -0.241 0.000 1.139 94 I CA -1.900 59.348 61.300 -0.086 0.000 1.133 94 I CB 1.145 39.204 38.000 0.097 0.000 1.327 94 I HN 0.219 nan 8.210 nan 0.000 0.520 95 P HA 0.104 nan 4.420 nan 0.000 0.270 95 P C -0.181 176.951 177.300 -0.280 0.000 1.242 95 P CA 0.284 63.028 63.100 -0.595 0.000 0.768 95 P CB 0.919 32.207 31.700 -0.686 0.000 0.820 96 T N 0.861 115.269 114.554 -0.243 0.000 2.900 96 T HA 0.201 4.552 4.350 0.002 0.000 0.295 96 T C 1.091 175.745 174.700 -0.077 0.000 1.044 96 T CA -0.651 61.388 62.100 -0.102 0.000 0.995 96 T CB 1.120 69.984 68.868 -0.006 0.000 1.072 96 T HN 0.470 nan 8.240 nan 0.000 0.473 97 E N 2.524 122.703 120.200 -0.035 0.000 2.285 97 E HA 0.016 4.367 4.350 0.002 0.000 0.194 97 E C 0.170 176.766 176.600 -0.007 0.000 0.997 97 E CA 0.127 56.522 56.400 -0.009 0.000 0.845 97 E CB 0.198 29.896 29.700 -0.002 0.000 0.782 97 E HN 0.289 nan 8.360 nan 0.000 0.491 98 R N 2.408 122.899 120.500 -0.015 0.000 2.401 98 R HA 0.023 4.364 4.340 0.002 0.000 0.299 98 R C -0.080 176.231 176.300 0.017 0.000 1.064 98 R CA 0.368 56.456 56.100 -0.020 0.000 1.000 98 R CB 0.607 30.870 30.300 -0.061 0.000 0.973 98 R HN 0.373 nan 8.270 nan 0.000 0.438 99 D N 0.714 121.124 120.400 0.016 0.000 2.535 99 D HA -0.048 4.593 4.640 0.002 0.000 0.229 99 D C 0.279 176.599 176.300 0.033 0.000 1.238 99 D CA -0.131 53.899 54.000 0.050 0.000 0.824 99 D CB 0.202 41.029 40.800 0.045 0.000 1.045 99 D HN 0.498 nan 8.370 nan 0.000 0.500 100 D N 0.500 120.888 120.400 -0.020 0.000 2.338 100 D HA -0.001 4.640 4.640 0.002 0.000 0.208 100 D C 0.967 177.195 176.300 -0.120 0.000 0.997 100 D CA -0.214 53.755 54.000 -0.052 0.000 0.880 100 D CB 0.331 41.092 40.800 -0.064 0.000 0.980 100 D HN 0.220 nan 8.370 nan 0.000 0.509 101 I N 1.204 121.639 120.570 -0.224 0.000 2.618 101 I HA -0.051 4.120 4.170 0.002 0.000 0.284 101 I C 0.209 176.065 176.117 -0.435 0.000 1.146 101 I CA -0.288 60.694 61.300 -0.531 0.000 1.425 101 I CB -0.104 37.375 38.000 -0.868 0.000 1.383 101 I HN -0.174 nan 8.210 nan 0.000 0.562 102 F N 2.828 122.627 119.950 -0.253 0.000 3.069 102 F HA -0.279 4.249 4.527 0.002 0.000 0.285 102 F C 1.859 177.643 175.800 -0.027 0.000 0.827 102 F CA 0.977 58.846 58.000 -0.219 0.000 1.108 102 F CB -2.591 36.132 39.000 -0.462 0.000 1.252 102 F HN 0.632 nan 8.300 nan 0.000 0.483 103 S N -1.763 114.008 115.700 0.119 0.000 2.528 103 S HA 0.591 5.062 4.470 0.002 0.000 0.219 103 S C 1.171 175.818 174.600 0.077 0.000 0.985 103 S CA 0.179 58.445 58.200 0.110 0.000 0.914 103 S CB 0.158 63.400 63.200 0.070 0.000 0.776 103 S HN 0.660 nan 8.310 nan 0.000 0.526 109 R N 1.831 122.353 120.500 0.036 0.000 2.211 109 R HA -0.122 4.219 4.340 0.002 0.000 0.240 109 R C 0.973 177.308 176.300 0.058 0.000 1.144 109 R CA 1.392 57.523 56.100 0.050 0.000 0.992 109 R CB -0.941 29.385 30.300 0.044 0.000 0.869 109 R HN 0.574 nan 8.270 nan 0.000 0.462 110 L N 0.298 121.546 121.223 0.041 0.000 2.084 110 L HA 0.081 4.422 4.340 0.002 0.000 0.202 110 L C 2.452 179.342 176.870 0.034 0.000 1.074 110 L CA 1.220 56.081 54.840 0.034 0.000 0.757 110 L CB -0.555 41.515 42.059 0.018 0.000 0.918 110 L HN 0.068 nan 8.230 nan 0.000 0.444 111 E N 0.856 121.073 120.200 0.028 0.000 2.110 111 E HA -0.194 4.157 4.350 0.002 0.000 0.193 111 E C 2.324 178.966 176.600 0.069 0.000 0.988 111 E CA 1.122 57.534 56.400 0.019 0.000 0.804 111 E CB -0.261 29.450 29.700 0.018 0.000 0.745 111 E HN 0.372 nan 8.360 nan 0.000 0.458 112 L N 0.524 121.812 121.223 0.108 0.000 2.042 112 L HA -0.202 4.139 4.340 0.002 0.000 0.210 112 L C 2.604 179.608 176.870 0.224 0.000 1.076 112 L CA 1.331 56.259 54.840 0.147 0.000 0.749 112 L CB -0.310 41.803 42.059 0.089 0.000 0.893 112 L HN 0.036 nan 8.230 nan 0.000 0.432 113 R N -0.530 120.084 120.500 0.189 0.000 2.115 113 R HA -0.151 4.190 4.340 0.002 0.000 0.226 113 R C 2.216 178.585 176.300 0.115 0.000 1.100 113 R CA 1.030 57.255 56.100 0.208 0.000 0.980 113 R CB -0.042 30.347 30.300 0.148 0.000 0.875 113 R HN 0.258 nan 8.270 nan 0.000 0.445 114 E N 0.118 120.339 120.200 0.035 0.000 2.072 114 E HA -0.076 4.275 4.350 0.002 0.000 0.190 114 E C 1.816 178.328 176.600 -0.147 0.000 0.982 114 E CA 1.418 57.792 56.400 -0.042 0.000 0.803 114 E CB -0.427 29.240 29.700 -0.055 0.000 0.755 114 E HN 0.284 nan 8.360 nan 0.000 0.453 115 G N 0.555 109.216 108.800 -0.232 0.000 2.672 115 G HA2 -0.325 3.636 3.960 0.002 0.000 0.218 115 G HA3 -0.325 3.636 3.960 0.002 0.000 0.218 115 G C 1.270 175.850 174.900 -0.533 0.000 1.238 115 G CA 1.254 45.966 45.100 -0.646 0.000 0.791 115 G HN 0.471 nan 8.290 nan 0.000 0.606 116 W N 0.281 121.598 121.300 0.027 0.000 2.331 116 W HA 0.004 4.665 4.660 0.002 0.000 0.291 116 W C 2.799 179.199 176.519 -0.199 0.000 1.214 116 W CA 0.749 58.024 57.345 -0.117 0.000 1.228 116 W CB -0.143 29.264 29.460 -0.088 0.000 1.135 116 W HN 0.065 nan 8.180 nan 0.000 0.537 117 R N 1.305 121.822 120.500 0.029 0.000 2.075 117 R HA -0.130 4.211 4.340 0.002 0.000 0.232 117 R C 1.874 178.126 176.300 -0.081 0.000 1.126 117 R CA 1.403 57.490 56.100 -0.021 0.000 0.963 117 R CB -0.405 29.888 30.300 -0.011 0.000 0.858 117 R HN 0.019 nan 8.270 nan 0.000 0.435 118 K N 0.564 120.879 120.400 -0.141 0.000 2.057 118 K HA -0.011 4.310 4.320 0.002 0.000 0.206 118 K C 2.113 178.614 176.600 -0.165 0.000 1.050 118 K CA 1.116 57.306 56.287 -0.163 0.000 0.935 118 K CB -0.334 32.033 32.500 -0.220 0.000 0.715 118 K HN 0.159 nan 8.250 nan 0.000 0.439 119 L N -0.121 120.976 121.223 -0.209 0.000 2.072 119 L HA -0.103 4.238 4.340 0.002 0.000 0.205 119 L C 2.145 178.942 176.870 -0.121 0.000 1.079 119 L CA 0.793 55.531 54.840 -0.170 0.000 0.752 119 L CB -0.393 41.526 42.059 -0.233 0.000 0.906 119 L HN 0.121 nan 8.230 nan 0.000 0.436 120 L N -0.037 121.104 121.223 -0.137 0.000 2.187 120 L HA -0.154 4.187 4.340 0.002 0.000 0.213 120 L C -0.362 176.423 176.870 -0.141 0.000 1.100 120 L CA 1.044 55.760 54.840 -0.206 0.000 0.765 120 L CB -1.382 40.530 42.059 -0.246 0.000 0.904 120 L HN 0.258 nan 8.230 nan 0.000 0.437 121 P HA -0.148 nan 4.420 nan 0.000 0.226 121 P C 1.081 178.346 177.300 -0.057 0.000 1.153 121 P CA 0.987 64.056 63.100 -0.052 0.000 0.777 121 P CB 0.070 31.745 31.700 -0.042 0.000 0.794 122 Q N -0.796 118.957 119.800 -0.079 0.000 2.403 122 Q HA 0.241 4.582 4.340 0.002 0.000 0.203 122 Q C 0.614 176.554 176.000 -0.100 0.000 0.932 122 Q CA -0.250 55.507 55.803 -0.075 0.000 0.945 122 Q CB -0.166 28.529 28.738 -0.072 0.000 1.045 122 Q HN 0.122 nan 8.270 nan 0.000 0.511 123 A N 1.643 124.375 122.820 -0.147 0.000 2.511 123 A HA 0.370 4.691 4.320 0.002 0.000 0.242 123 A C 0.133 177.642 177.584 -0.126 0.000 1.069 123 A CA -0.022 51.888 52.037 -0.211 0.000 0.763 123 A CB -0.216 18.481 19.000 -0.504 0.000 1.001 123 A HN 0.481 nan 8.150 nan 0.000 0.498 124 I N -1.195 119.302 120.570 -0.121 0.000 2.969 124 I HA 0.822 4.993 4.170 0.002 0.000 0.307 124 I C 0.175 176.187 176.117 -0.175 0.000 1.149 124 I CA -1.232 60.015 61.300 -0.087 0.000 1.008 124 I CB 1.952 39.946 38.000 -0.009 0.000 1.232 124 I HN 0.687 nan 8.210 nan 0.000 0.435 125 A N 2.062 124.770 122.820 -0.187 0.000 2.346 125 A HA 0.171 4.492 4.320 0.002 0.000 0.252 125 A C -0.229 177.217 177.584 -0.229 0.000 1.089 125 A CA -0.056 51.796 52.037 -0.307 0.000 0.797 125 A CB 0.127 18.972 19.000 -0.258 0.000 1.047 125 A HN 0.830 nan 8.150 nan 0.000 0.494 126 D N 1.148 121.332 120.400 -0.360 0.000 2.344 126 D HA 0.213 4.854 4.640 0.002 0.000 0.253 126 D C -1.467 174.925 176.300 0.154 0.000 1.255 126 D CA -1.866 52.104 54.000 -0.051 0.000 0.894 126 D CB 0.871 41.655 40.800 -0.026 0.000 1.067 126 D HN 0.135 nan 8.370 nan 0.000 0.492 127 P HA -0.088 nan 4.420 nan 0.000 0.225 127 P C 1.348 178.762 177.300 0.190 0.000 1.148 127 P CA 0.668 63.880 63.100 0.186 0.000 0.779 127 P CB 0.327 32.134 31.700 0.180 0.000 0.780 128 L N -1.621 119.769 121.223 0.279 0.000 2.558 128 L HA 0.125 4.466 4.340 0.002 0.000 0.225 128 L C 1.119 178.148 176.870 0.266 0.000 1.128 128 L CA 0.038 55.040 54.840 0.269 0.000 0.868 128 L CB -0.485 41.780 42.059 0.344 0.000 1.006 128 L HN -0.053 nan 8.230 nan 0.000 0.454 129 N N 0.946 119.800 118.700 0.256 0.000 2.426 129 N HA 0.152 4.893 4.740 0.002 0.000 0.257 129 N C -1.914 173.697 175.510 0.168 0.000 1.002 129 N CA -1.972 51.227 53.050 0.249 0.000 0.942 129 N CB 1.736 40.388 38.487 0.275 0.000 1.112 129 N HN -0.168 nan 8.380 nan 0.000 0.499 130 P HA -0.021 nan 4.420 nan 0.000 0.233 130 P C -0.467 176.909 177.300 0.126 0.000 1.167 130 P CA 0.920 64.096 63.100 0.126 0.000 0.770 130 P CB 0.296 32.065 31.700 0.116 0.000 0.837 131 Q N 0.391 120.286 119.800 0.157 0.000 2.569 131 Q HA 0.419 4.760 4.340 0.002 0.000 0.226 131 Q C -0.416 175.720 176.000 0.227 0.000 1.136 131 Q CA 0.104 56.028 55.803 0.202 0.000 0.947 131 Q CB 0.783 29.650 28.738 0.215 0.000 1.218 131 Q HN -0.016 nan 8.270 nan 0.000 0.547 132 S N 2.008 117.824 115.700 0.193 0.000 2.569 132 S HA 0.803 5.274 4.470 0.002 0.000 0.280 132 S C -1.180 173.514 174.600 0.157 0.000 1.111 132 S CA -0.836 57.368 58.200 0.007 0.000 0.887 132 S CB 1.356 64.487 63.200 -0.114 0.000 1.095 132 S HN 0.627 nan 8.310 nan 0.000 0.476 133 W N 0.353 121.585 121.300 -0.113 0.000 3.005 133 W HA 0.637 5.298 4.660 0.002 0.000 0.343 133 W C -2.095 174.369 176.519 -0.093 0.000 1.243 133 W CA -1.202 56.067 57.345 -0.126 0.000 1.186 133 W CB 0.123 29.476 29.460 -0.178 0.000 1.453 133 W HN 0.416 nan 8.180 nan 0.000 0.575 134 K N 1.906 122.352 120.400 0.076 0.000 2.349 134 K HA 0.489 4.810 4.320 0.002 0.000 0.289 134 K C 0.519 177.200 176.600 0.135 0.000 1.064 134 K CA -0.074 56.216 56.287 0.005 0.000 0.947 134 K CB 0.792 33.312 32.500 0.033 0.000 1.007 134 K HN 0.691 nan 8.250 nan 0.000 0.478 135 G N 1.152 109.870 108.800 -0.137 0.000 2.503 135 G HA2 0.240 4.201 3.960 0.002 0.000 0.257 135 G HA3 0.240 4.201 3.960 0.002 0.000 0.257 135 G C 0.726 175.558 174.900 -0.113 0.000 1.214 135 G CA -0.877 44.147 45.100 -0.127 0.000 0.839 135 G HN 0.731 nan 8.290 nan 0.000 0.559 136 G N -0.189 108.551 108.800 -0.099 0.000 3.234 136 G HA2 0.176 4.137 3.960 0.002 0.000 0.221 136 G HA3 0.176 4.137 3.960 0.002 0.000 0.221 136 G C 0.705 175.542 174.900 -0.106 0.000 1.229 136 G CA -0.036 45.010 45.100 -0.091 0.000 0.909 136 G HN 0.418 nan 8.290 nan 0.000 0.510 137 L N -0.835 120.265 121.223 -0.205 0.000 3.229 137 L HA 0.419 4.760 4.340 0.002 0.000 0.286 137 L C 1.599 178.344 176.870 -0.209 0.000 1.239 137 L CA 0.801 55.520 54.840 -0.202 0.000 1.035 137 L CB 0.636 42.564 42.059 -0.219 0.000 1.408 137 L HN 0.281 nan 8.230 nan 0.000 0.593 138 G N -0.615 108.075 108.800 -0.184 0.000 2.308 138 G HA2 -0.254 3.707 3.960 0.002 0.000 0.221 138 G HA3 -0.254 3.707 3.960 0.002 0.000 0.221 138 G C 0.315 175.179 174.900 -0.059 0.000 1.032 138 G CA 0.222 45.273 45.100 -0.083 0.000 0.623 138 G HN 0.525 nan 8.290 nan 0.000 0.506 139 H N 0.450 119.470 119.070 -0.083 0.000 2.573 139 H HA 0.837 5.394 4.556 0.002 0.000 0.351 139 H C 0.326 175.556 175.328 -0.164 0.000 1.163 139 H CA -0.354 55.626 56.048 -0.112 0.000 1.205 139 H CB 1.660 31.347 29.762 -0.124 0.000 1.605 139 H HN 0.736 nan 8.280 nan 0.000 0.525 140 A N 1.813 124.611 122.820 -0.038 0.000 2.386 140 A HA 0.481 4.802 4.320 0.002 0.000 0.248 140 A C 0.394 177.817 177.584 -0.268 0.000 1.082 140 A CA 0.128 52.043 52.037 -0.203 0.000 0.789 140 A CB 0.199 19.096 19.000 -0.171 0.000 1.025 140 A HN 0.784 nan 8.150 nan 0.000 0.490 141 V N -1.406 118.131 119.914 -0.627 0.000 3.159 141 V HA 0.907 5.028 4.120 0.002 0.000 0.308 141 V C -0.218 175.230 176.094 -1.077 0.000 1.190 141 V CA -0.536 61.288 62.300 -0.794 0.000 1.037 141 V CB 1.574 32.930 31.823 -0.780 0.000 1.060 141 V HN 0.927 nan 8.190 nan 0.000 0.437 142 S N 0.430 115.525 115.700 -1.008 0.000 2.634 142 S HA 0.919 5.390 4.470 0.002 0.000 0.296 142 S C -0.077 174.291 174.600 -0.386 0.000 1.104 142 S CA -0.190 57.550 58.200 -0.767 0.000 0.920 142 S CB 1.737 64.462 63.200 -0.792 0.000 1.111 142 S HN 1.617 nan 8.310 nan 0.000 0.493 143 A N 1.180 124.062 122.820 0.105 0.000 2.331 143 A HA 0.751 5.072 4.320 0.002 0.000 0.283 143 A C -1.006 176.818 177.584 0.401 0.000 1.142 143 A CA -0.278 51.959 52.037 0.332 0.000 0.812 143 A CB 0.078 19.274 19.000 0.327 0.000 1.074 143 A HN 0.599 nan 8.150 nan 0.000 0.497 144 L N 1.882 123.315 121.223 0.349 0.000 2.464 144 L HA 0.624 4.965 4.340 0.002 0.000 0.266 144 L C -0.425 176.493 176.870 0.079 0.000 0.965 144 L CA 0.141 55.158 54.840 0.295 0.000 0.833 144 L CB 1.884 44.245 42.059 0.502 0.000 1.296 144 L HN 0.928 nan 8.230 nan 0.000 0.405 148 Q N 0.425 120.129 119.800 -0.159 0.000 2.220 148 Q HA 0.531 4.872 4.340 0.002 0.000 0.205 148 Q C 0.505 176.469 176.000 -0.061 0.000 0.865 148 Q CA -0.076 55.696 55.803 -0.052 0.000 0.960 148 Q CB 0.847 29.596 28.738 0.017 0.000 1.097 148 Q HN 0.316 nan 8.270 nan 0.000 0.493 149 A N 3.399 126.155 122.820 -0.105 0.000 2.540 149 A HA 0.204 4.525 4.320 0.002 0.000 0.239 149 A C -1.816 175.721 177.584 -0.079 0.000 1.061 149 A CA -0.873 51.100 52.037 -0.107 0.000 0.758 149 A CB -0.241 18.663 19.000 -0.159 0.000 0.991 149 A HN 0.082 nan 8.150 nan 0.000 0.502 150 P HA 0.236 nan 4.420 nan 0.000 0.272 150 P C -0.443 176.830 177.300 -0.045 0.000 1.240 150 P CA -0.585 62.486 63.100 -0.048 0.000 0.791 150 P CB 0.430 32.103 31.700 -0.045 0.000 0.978 151 L N 1.461 122.671 121.223 -0.021 0.000 2.456 151 L HA 0.065 4.406 4.340 0.002 0.000 0.272 151 L C 0.685 177.559 176.870 0.007 0.000 1.189 151 L CA 0.697 55.536 54.840 -0.002 0.000 0.846 151 L CB -0.387 41.678 42.059 0.009 0.000 1.111 151 L HN 0.315 nan 8.230 nan 0.000 0.475 152 Q N 5.904 125.729 119.800 0.041 0.000 2.347 152 Q HA 0.348 4.689 4.340 0.002 0.000 0.262 152 Q C -2.159 173.963 176.000 0.204 0.000 0.980 152 Q CA -1.949 53.910 55.803 0.094 0.000 0.867 152 Q CB 1.136 29.900 28.738 0.043 0.000 1.242 152 Q HN 0.433 nan 8.270 nan 0.000 0.453 153 P HA -0.098 nan 4.420 nan 0.000 0.262 153 P C 0.816 178.137 177.300 0.036 0.000 1.182 153 P CA 1.148 64.292 63.100 0.073 0.000 0.761 153 P CB 0.529 32.245 31.700 0.026 0.000 0.795 154 G N 1.939 110.718 108.800 -0.035 0.000 2.347 154 G HA2 -0.308 3.653 3.960 0.002 0.000 0.247 154 G HA3 -0.308 3.653 3.960 0.002 0.000 0.247 154 G C 0.931 175.688 174.900 -0.239 0.000 1.037 154 G CA 0.149 45.145 45.100 -0.173 0.000 0.622 154 G HN 0.476 nan 8.290 nan 0.000 0.521 155 W N 1.406 122.679 121.300 -0.045 0.000 2.465 155 W HA 0.219 4.880 4.660 0.002 0.000 0.268 155 W C 2.000 178.499 176.519 -0.033 0.000 1.242 155 W CA 1.129 58.445 57.345 -0.049 0.000 1.248 155 W CB 0.111 29.533 29.460 -0.063 0.000 1.118 155 W HN 0.237 nan 8.180 nan 0.000 0.587 156 D N -1.013 119.478 120.400 0.152 0.000 2.348 156 D HA 0.004 4.645 4.640 0.002 0.000 0.211 156 D C 0.628 176.956 176.300 0.047 0.000 0.998 156 D CA 0.795 54.852 54.000 0.094 0.000 0.873 156 D CB 0.018 40.861 40.800 0.072 0.000 0.925 156 D HN 0.206 nan 8.370 nan 0.000 0.524 157 C N 1.056 120.363 119.300 0.012 0.000 3.465 157 C HA 0.428 4.889 4.460 0.002 0.000 0.193 157 C C -2.560 172.410 174.990 -0.033 0.000 1.515 157 C CA -1.955 57.062 59.018 -0.002 0.000 1.340 157 C CB 0.100 27.842 27.740 0.003 0.000 1.928 157 C HN -0.091 nan 8.230 nan 0.000 0.510 158 P HA 0.294 nan 4.420 nan 0.000 0.272 158 P C -0.873 176.416 177.300 -0.018 0.000 1.223 158 P CA 0.935 63.987 63.100 -0.080 0.000 0.784 158 P CB 0.936 32.583 31.700 -0.088 0.000 0.923 159 Q N 0.129 119.930 119.800 0.001 0.000 2.372 159 Q HA 0.570 4.911 4.340 0.002 0.000 0.273 159 Q C -0.576 175.467 176.000 0.071 0.000 1.078 159 Q CA -1.042 54.797 55.803 0.060 0.000 0.806 159 Q CB 2.457 31.278 28.738 0.140 0.000 1.332 159 Q HN 0.545 nan 8.270 nan 0.000 0.435 160 A N 3.350 126.216 122.820 0.077 0.000 2.566 160 A HA 0.226 4.547 4.320 0.002 0.000 0.245 160 A C -2.141 175.516 177.584 0.121 0.000 1.056 160 A CA -0.602 51.485 52.037 0.083 0.000 0.757 160 A CB -0.653 18.387 19.000 0.067 0.000 0.979 160 A HN 0.336 nan 8.150 nan 0.000 0.508 161 P HA 0.060 nan 4.420 nan 0.000 0.266 161 P C 0.545 177.938 177.300 0.154 0.000 1.195 161 P CA 0.056 63.278 63.100 0.203 0.000 0.768 161 P CB 0.537 32.381 31.700 0.240 0.000 0.838 162 E N 1.509 121.794 120.200 0.143 0.000 2.072 162 E HA -0.042 4.309 4.350 0.002 0.000 0.190 162 E C 0.393 177.031 176.600 0.063 0.000 0.982 162 E CA 0.978 57.437 56.400 0.099 0.000 0.803 162 E CB 0.033 29.788 29.700 0.092 0.000 0.755 162 E HN 0.453 nan 8.360 nan 0.000 0.453 163 I N 1.752 122.356 120.570 0.055 0.000 2.466 163 I HA 0.253 4.424 4.170 0.002 0.000 0.289 163 I C -2.482 173.691 176.117 0.094 0.000 1.026 163 I CA -2.562 58.758 61.300 0.034 0.000 1.078 163 I CB 1.911 39.898 38.000 -0.022 0.000 1.249 163 I HN -0.199 nan 8.210 nan 0.000 0.429 164 P HA 0.210 nan 4.420 nan 0.000 0.274 164 P C -0.435 176.839 177.300 -0.042 0.000 1.237 164 P CA -0.400 62.681 63.100 -0.032 0.000 0.793 164 P CB 0.624 32.285 31.700 -0.064 0.000 0.977 165 A N 1.979 124.621 122.820 -0.296 0.000 2.483 165 A HA 0.196 4.517 4.320 0.002 0.000 0.238 165 A C 0.360 177.900 177.584 -0.074 0.000 1.070 165 A CA 0.112 51.982 52.037 -0.279 0.000 0.770 165 A CB -0.394 17.916 19.000 -1.150 0.000 1.008 165 A HN 0.555 nan 8.150 nan 0.000 0.497 166 K N 2.083 122.501 120.400 0.031 0.000 2.263 166 K HA 0.313 4.634 4.320 0.002 0.000 0.272 166 K C -0.259 176.360 176.600 0.031 0.000 1.033 166 K CA -0.198 56.110 56.287 0.035 0.000 0.884 166 K CB 0.807 33.323 32.500 0.026 0.000 1.107 166 K HN 0.713 nan 8.250 nan 0.000 0.460 167 E N 6.343 126.526 120.200 -0.027 0.000 2.194 167 E HA 0.191 4.542 4.350 0.002 0.000 0.284 167 E C -0.400 176.085 176.600 -0.191 0.000 1.035 167 E CA -0.686 55.554 56.400 -0.265 0.000 0.836 167 E CB 0.538 30.049 29.700 -0.316 0.000 1.070 167 E HN 0.699 nan 8.360 nan 0.000 0.401 168 I N 1.101 121.549 120.570 -0.203 0.000 3.023 168 I HA 0.501 4.672 4.170 0.002 0.000 0.312 168 I C -0.772 175.270 176.117 -0.125 0.000 1.056 168 I CA -1.208 60.025 61.300 -0.112 0.000 1.033 168 I CB 1.577 39.553 38.000 -0.040 0.000 1.233 168 I HN 0.319 nan 8.210 nan 0.000 0.462 169 I N 3.133 123.675 120.570 -0.045 0.000 2.330 169 I HA 0.195 4.366 4.170 0.002 0.000 0.289 169 I C -1.094 175.083 176.117 0.099 0.000 1.001 169 I CA -0.201 61.093 61.300 -0.010 0.000 1.193 169 I CB 0.997 38.981 38.000 -0.027 0.000 1.345 169 I HN 0.742 nan 8.210 nan 0.000 0.461 170 W N 8.449 129.702 121.300 -0.080 0.000 2.332 170 W HA 0.328 4.989 4.660 0.002 0.000 0.306 170 W C -0.282 176.211 176.519 -0.043 0.000 1.149 170 W CA -0.906 56.407 57.345 -0.054 0.000 1.271 170 W CB 0.672 30.102 29.460 -0.050 0.000 1.243 170 W HN 0.316 nan 8.180 nan 0.000 0.459 171 K N 5.378 125.735 120.400 -0.072 0.000 2.292 171 K HA 0.172 4.493 4.320 0.002 0.000 0.270 171 K C -0.313 176.070 176.600 -0.362 0.000 1.062 171 K CA -0.287 55.862 56.287 -0.230 0.000 0.916 171 K CB 1.483 33.940 32.500 -0.071 0.000 1.166 171 K HN 0.433 nan 8.250 nan 0.000 0.458 172 S N 2.382 117.680 115.700 -0.669 0.000 2.489 172 S HA 0.026 4.497 4.470 0.002 0.000 0.277 172 S C 1.255 175.726 174.600 -0.215 0.000 1.230 172 S CA -0.356 57.513 58.200 -0.551 0.000 1.053 172 S CB 0.823 63.528 63.200 -0.824 0.000 0.955 172 S HN 0.683 nan 8.310 nan 0.000 0.488 173 E N 5.208 125.367 120.200 -0.070 0.000 2.112 173 E HA -0.137 4.214 4.350 0.002 0.000 0.190 173 E C 1.950 178.530 176.600 -0.034 0.000 0.979 173 E CA 0.456 56.835 56.400 -0.035 0.000 0.814 173 E CB -0.198 29.506 29.700 0.006 0.000 0.762 173 E HN 0.756 nan 8.360 nan 0.000 0.460 174 R N 0.608 121.095 120.500 -0.022 0.000 2.075 174 R HA -0.035 4.306 4.340 0.002 0.000 0.232 174 R C 2.277 178.555 176.300 -0.036 0.000 1.126 174 R CA 1.314 57.407 56.100 -0.011 0.000 0.963 174 R CB -0.101 30.209 30.300 0.016 0.000 0.858 174 R HN 0.282 nan 8.270 nan 0.000 0.435 175 L N 0.572 121.741 121.223 -0.089 0.000 2.558 175 L HA 0.146 4.487 4.340 0.002 0.000 0.225 175 L C 0.365 177.187 176.870 -0.080 0.000 1.128 175 L CA 0.213 55.003 54.840 -0.083 0.000 0.868 175 L CB 0.013 41.995 42.059 -0.127 0.000 1.006 175 L HN 0.109 nan 8.230 nan 0.000 0.454 176 K N 1.569 121.911 120.400 -0.097 0.000 3.035 176 K HA -0.223 4.098 4.320 0.002 0.000 0.262 176 K C -0.495 176.059 176.600 -0.076 0.000 1.024 176 K CA 0.764 57.007 56.287 -0.074 0.000 0.748 176 K CB -1.825 30.653 32.500 -0.036 0.000 1.247 176 K HN 0.706 nan 8.250 nan 0.000 0.482 177 N N -1.407 117.208 118.700 -0.142 0.000 2.853 177 N HA 0.566 5.307 4.740 0.002 0.000 0.258 177 N C -1.133 174.229 175.510 -0.247 0.000 1.444 177 N CA -0.503 52.462 53.050 -0.140 0.000 0.837 177 N CB 1.619 40.065 38.487 -0.069 0.000 1.489 177 N HN 0.019 nan 8.380 nan 0.000 0.529 178 S N -1.482 114.093 115.700 -0.209 0.000 2.570 178 S HA 0.899 5.370 4.470 0.002 0.000 0.286 178 S C -0.806 173.691 174.600 -0.172 0.000 1.099 178 S CA -0.978 57.089 58.200 -0.222 0.000 0.913 178 S CB 2.123 65.238 63.200 -0.141 0.000 1.085 178 S HN 1.066 nan 8.310 nan 0.000 0.480 179 R N 0.371 120.801 120.500 -0.116 0.000 2.716 179 R HA 0.531 4.872 4.340 0.002 0.000 0.271 179 R C -1.495 174.796 176.300 -0.014 0.000 1.028 179 R CA -1.093 54.978 56.100 -0.048 0.000 0.883 179 R CB 1.057 31.359 30.300 0.004 0.000 1.250 179 R HN 0.671 nan 8.270 nan 0.000 0.465 180 R N 0.915 121.361 120.500 -0.091 0.000 2.491 180 R HA 0.409 4.750 4.340 0.002 0.000 0.283 180 R C -0.629 175.496 176.300 -0.291 0.000 1.072 180 R CA -0.378 55.525 56.100 -0.330 0.000 1.048 180 R CB 1.311 31.241 30.300 -0.617 0.000 0.983 180 R HN 0.317 nan 8.270 nan 0.000 0.450 181 V N 3.351 123.053 119.914 -0.352 0.000 2.638 181 V HA 0.338 4.459 4.120 0.002 0.000 0.306 181 V C -0.646 175.325 176.094 -0.205 0.000 1.052 181 V CA -0.924 61.319 62.300 -0.095 0.000 0.885 181 V CB 1.918 33.769 31.823 0.047 0.000 0.999 181 V HN 0.689 nan 8.190 nan 0.000 0.424 182 W N 5.056 126.488 121.300 0.219 0.000 2.433 182 W HA 0.666 5.327 4.660 0.002 0.000 0.315 182 W C -0.660 176.001 176.519 0.238 0.000 1.087 182 W CA -0.587 56.900 57.345 0.237 0.000 1.205 182 W CB 1.786 31.500 29.460 0.424 0.000 1.288 182 W HN 0.393 nan 8.180 nan 0.000 0.504 183 I N 4.013 124.787 120.570 0.339 0.000 2.406 183 I HA 0.374 4.545 4.170 0.002 0.000 0.290 183 I C -0.875 175.427 176.117 0.309 0.000 0.999 183 I CA -0.744 60.728 61.300 0.286 0.000 1.124 183 I CB 1.423 39.516 38.000 0.156 0.000 1.289 183 I HN 0.116 nan 8.210 nan 0.000 0.441 184 F N 5.544 125.603 119.950 0.183 0.000 2.569 184 F HA 0.617 5.145 4.527 0.002 0.000 0.312 184 F C -0.392 175.543 175.800 0.224 0.000 1.109 184 F CA -0.455 57.611 58.000 0.110 0.000 0.919 184 F CB 1.983 41.058 39.000 0.124 0.000 1.211 184 F HN 0.456 nan 8.300 nan 0.000 0.446 185 T N 1.649 115.883 114.554 -0.534 0.000 2.841 185 T HA 0.751 5.102 4.350 0.002 0.000 0.283 185 T C -0.266 174.008 174.700 -0.709 0.000 1.000 185 T CA -0.348 61.501 62.100 -0.418 0.000 0.977 185 T CB 1.525 70.278 68.868 -0.192 0.000 0.979 185 T HN 0.782 nan 8.240 nan 0.000 0.446 186 T N -0.162 114.165 114.554 -0.378 0.000 2.937 186 T HA 0.820 5.171 4.350 0.002 0.000 0.283 186 T C 1.049 175.651 174.700 -0.162 0.000 1.012 186 T CA -0.098 61.831 62.100 -0.284 0.000 0.997 186 T CB 0.803 69.635 68.868 -0.059 0.000 1.136 186 T HN 1.931 nan 8.240 nan 0.000 0.551 187 G N 1.271 109.998 108.800 -0.122 0.000 2.598 187 G HA2 -0.180 3.781 3.960 0.002 0.000 0.269 187 G HA3 -0.180 3.781 3.960 0.002 0.000 0.269 187 G C -1.034 173.838 174.900 -0.046 0.000 1.289 187 G CA 0.049 45.115 45.100 -0.056 0.000 0.926 187 G HN 1.069 nan 8.290 nan 0.000 0.567 188 D N 0.548 120.929 120.400 -0.032 0.000 2.371 188 D HA 0.336 4.977 4.640 0.002 0.000 0.256 188 D C 1.702 177.974 176.300 -0.046 0.000 1.193 188 D CA 0.152 54.136 54.000 -0.027 0.000 0.881 188 D CB 1.190 41.976 40.800 -0.023 0.000 1.143 188 D HN 0.448 nan 8.370 nan 0.000 0.473 189 V N 2.268 122.157 119.914 -0.041 0.000 2.370 189 V HA -0.315 3.806 4.120 0.002 0.000 0.252 189 V C 2.419 178.485 176.094 -0.046 0.000 1.068 189 V CA 2.248 64.520 62.300 -0.046 0.000 1.061 189 V CB -0.722 31.080 31.823 -0.035 0.000 0.656 189 V HN 0.722 nan 8.190 nan 0.000 0.455 190 T N -0.627 113.902 114.554 -0.040 0.000 3.055 190 T HA 0.161 4.512 4.350 0.002 0.000 0.265 190 T C 0.958 175.628 174.700 -0.050 0.000 1.111 190 T CA 0.592 62.667 62.100 -0.041 0.000 1.118 190 T CB -0.471 68.377 68.868 -0.033 0.000 0.909 190 T HN 0.632 nan 8.240 nan 0.000 0.501 191 A N 1.711 124.497 122.820 -0.058 0.000 2.587 191 A HA 0.281 4.602 4.320 0.002 0.000 0.235 191 A C 0.464 178.002 177.584 -0.077 0.000 1.044 191 A CA 0.299 52.292 52.037 -0.073 0.000 0.754 191 A CB 0.100 19.046 19.000 -0.090 0.000 0.968 191 A HN 0.455 nan 8.150 nan 0.000 0.509 192 E N 0.321 120.472 120.200 -0.082 0.000 2.359 192 E HA 0.448 4.799 4.350 0.002 0.000 0.266 192 E C -0.308 176.236 176.600 -0.094 0.000 0.920 192 E CA -0.412 55.938 56.400 -0.082 0.000 0.788 192 E CB 1.441 31.097 29.700 -0.073 0.000 1.279 192 E HN 0.642 nan 8.360 nan 0.000 0.438 193 E N -0.074 120.073 120.200 -0.088 0.000 3.070 193 E HA -0.205 4.146 4.350 0.002 0.000 0.285 193 E C -0.733 175.798 176.600 -0.116 0.000 0.972 193 E CA 0.591 56.937 56.400 -0.090 0.000 0.915 193 E CB -1.318 28.324 29.700 -0.096 0.000 1.466 193 E HN 0.360 nan 8.360 nan 0.000 0.432 194 R N 1.080 121.512 120.500 -0.112 0.000 2.522 194 R HA 0.132 4.473 4.340 0.002 0.000 0.284 194 R C -1.970 174.241 176.300 -0.149 0.000 1.032 194 R CA -0.921 55.076 56.100 -0.172 0.000 1.049 194 R CB 0.211 30.426 30.300 -0.142 0.000 0.956 194 R HN 0.042 nan 8.270 nan 0.000 0.422 195 P HA -0.037 nan 4.420 nan 0.000 0.272 195 P C -0.858 176.368 177.300 -0.124 0.000 1.223 195 P CA -0.281 62.693 63.100 -0.210 0.000 0.784 195 P CB 0.652 32.026 31.700 -0.544 0.000 0.923 196 L N 2.057 123.270 121.223 -0.017 0.000 2.289 196 L HA 0.646 4.987 4.340 0.002 0.000 0.285 196 L C -0.630 176.270 176.870 0.050 0.000 1.049 196 L CA -0.591 54.146 54.840 -0.171 0.000 0.804 196 L CB 0.786 42.492 42.059 -0.589 0.000 1.195 196 L HN 0.437 nan 8.230 nan 0.000 0.428 197 A N 5.318 128.136 122.820 -0.002 0.000 2.287 197 A HA 0.705 5.026 4.320 0.002 0.000 0.317 197 A C -1.039 176.598 177.584 0.089 0.000 1.220 197 A CA -0.577 51.497 52.037 0.061 0.000 0.835 197 A CB 1.098 20.141 19.000 0.071 0.000 1.180 197 A HN 0.536 nan 8.150 nan 0.000 0.500 198 V N 3.836 123.814 119.914 0.107 0.000 2.383 198 V HA 0.335 4.456 4.120 0.002 0.000 0.275 198 V C -0.648 175.543 176.094 0.161 0.000 1.036 198 V CA -0.279 62.113 62.300 0.154 0.000 0.889 198 V CB 0.875 32.819 31.823 0.201 0.000 0.985 198 V HN 0.702 nan 8.190 nan 0.000 0.459 199 L N 6.399 127.738 121.223 0.193 0.000 2.305 199 L HA 0.533 4.874 4.340 0.002 0.000 0.284 199 L C -0.016 176.989 176.870 0.225 0.000 1.013 199 L CA 0.156 55.090 54.840 0.157 0.000 0.819 199 L CB 1.404 43.531 42.059 0.114 0.000 1.227 199 L HN 0.447 nan 8.230 nan 0.000 0.417 200 L N 2.695 124.040 121.223 0.203 0.000 2.456 200 L HA 0.326 4.667 4.340 0.002 0.000 0.257 200 L C 0.290 177.308 176.870 0.246 0.000 1.162 200 L CA -0.614 54.353 54.840 0.212 0.000 0.808 200 L CB 0.231 42.386 42.059 0.159 0.000 1.136 200 L HN 0.623 nan 8.230 nan 0.000 0.466 201 D N 1.185 121.705 120.400 0.200 0.000 2.699 201 D HA -0.160 4.481 4.640 0.002 0.000 0.239 201 D C 1.174 177.647 176.300 0.289 0.000 1.136 201 D CA 0.927 55.041 54.000 0.189 0.000 0.668 201 D CB -0.848 40.012 40.800 0.100 0.000 1.060 201 D HN 0.972 nan 8.370 nan 0.000 0.429 202 G N 1.044 110.040 108.800 0.327 0.000 2.432 202 G HA2 -0.294 3.667 3.960 0.002 0.000 0.219 202 G HA3 -0.294 3.667 3.960 0.002 0.000 0.219 202 G C 1.482 176.462 174.900 0.134 0.000 1.135 202 G CA 1.144 46.457 45.100 0.355 0.000 0.767 202 G HN 0.491 nan 8.290 nan 0.000 0.550 203 E N 0.483 120.791 120.200 0.181 0.000 2.106 203 E HA -0.142 4.209 4.350 0.002 0.000 0.192 203 E C 2.144 178.614 176.600 -0.217 0.000 0.984 203 E CA 0.599 56.972 56.400 -0.045 0.000 0.806 203 E CB -0.838 29.017 29.700 0.257 0.000 0.750 203 E HN 0.399 nan 8.360 nan 0.000 0.458 204 F N 0.702 120.486 119.950 -0.276 0.000 2.095 204 F HA -0.130 4.398 4.527 0.002 0.000 0.298 204 F C 1.795 177.214 175.800 -0.635 0.000 1.104 204 F CA 1.920 59.622 58.000 -0.498 0.000 1.232 204 F CB -0.378 38.219 39.000 -0.672 0.000 0.987 204 F HN -0.035 nan 8.300 nan 0.000 0.475 205 W N -0.402 120.846 121.300 -0.087 0.000 2.800 205 W HA 0.137 4.798 4.660 0.002 0.000 0.249 205 W C 2.208 178.287 176.519 -0.733 0.000 1.294 205 W CA 0.599 57.766 57.345 -0.297 0.000 1.402 205 W CB -0.486 28.877 29.460 -0.162 0.000 1.126 205 W HN 0.072 nan 8.180 nan 0.000 0.652 206 A N -0.353 122.065 122.820 -0.669 0.000 1.943 206 A HA -0.042 4.279 4.320 0.002 0.000 0.213 206 A C 1.852 179.018 177.584 -0.696 0.000 1.181 206 A CA 1.100 52.537 52.037 -1.000 0.000 0.653 206 A CB -0.030 17.966 19.000 -1.673 0.000 0.833 206 A HN 0.333 nan 8.150 nan 0.000 0.451 207 Q N -1.382 118.070 119.800 -0.581 0.000 2.534 207 Q HA 0.225 4.566 4.340 0.002 0.000 0.252 207 Q C 0.569 176.327 176.000 -0.404 0.000 0.850 207 Q CA 0.080 55.660 55.803 -0.372 0.000 0.974 207 Q CB 0.567 29.165 28.738 -0.233 0.000 1.205 207 Q HN 0.451 nan 8.270 nan 0.000 0.593 211 V N -2.291 117.146 119.914 -0.795 0.000 3.129 211 V HA -0.009 4.112 4.120 0.002 0.000 0.259 211 V C 1.438 177.163 176.094 -0.614 0.000 1.116 211 V CA 0.592 62.524 62.300 -0.612 0.000 1.127 211 V CB -1.058 30.483 31.823 -0.471 0.000 0.742 211 V HN 0.689 nan 8.190 nan 0.000 0.474 212 W N 1.533 122.510 121.300 -0.539 0.000 2.301 212 W HA -0.106 4.555 4.660 0.002 0.000 0.325 212 W C 0.056 176.334 176.519 -0.403 0.000 1.250 212 W CA 1.422 58.308 57.345 -0.765 0.000 1.261 212 W CB -2.285 26.711 29.460 -0.773 0.000 1.157 212 W HN 0.335 nan 8.180 nan 0.000 0.473 213 P HA -0.090 nan 4.420 nan 0.000 0.226 213 P C 1.424 178.596 177.300 -0.213 0.000 1.153 213 P CA 1.317 64.359 63.100 -0.098 0.000 0.777 213 P CB -0.156 31.487 31.700 -0.095 0.000 0.794 214 V N -0.383 119.281 119.914 -0.417 0.000 2.426 214 V HA -0.108 4.013 4.120 0.002 0.000 0.242 214 V C 2.571 178.445 176.094 -0.366 0.000 1.036 214 V CA 1.066 63.014 62.300 -0.586 0.000 1.044 214 V CB -1.208 29.887 31.823 -1.213 0.000 0.688 214 V HN -0.020 nan 8.190 nan 0.000 0.462 215 L N 0.155 121.199 121.223 -0.298 0.000 2.043 215 L HA -0.227 4.114 4.340 0.002 0.000 0.212 215 L C 2.642 179.488 176.870 -0.039 0.000 1.075 215 L CA 2.114 56.871 54.840 -0.137 0.000 0.752 215 L CB -1.165 40.804 42.059 -0.151 0.000 0.891 215 L HN 0.365 nan 8.230 nan 0.000 0.432 216 T N -1.335 113.214 114.554 -0.008 0.000 2.674 216 T HA -0.234 4.117 4.350 0.002 0.000 0.265 216 T C 2.160 176.753 174.700 -0.177 0.000 1.039 216 T CA 1.765 63.809 62.100 -0.094 0.000 1.150 216 T CB -0.271 68.607 68.868 0.016 0.000 0.864 216 T HN 0.311 nan 8.240 nan 0.000 0.427 217 S N 0.689 116.346 115.700 -0.073 0.000 2.374 217 S HA -0.070 4.401 4.470 0.002 0.000 0.227 217 S C 2.010 176.604 174.600 -0.011 0.000 1.037 217 S CA 1.124 59.319 58.200 -0.008 0.000 1.024 217 S CB -0.523 62.642 63.200 -0.057 0.000 0.861 217 S HN 0.420 nan 8.310 nan 0.000 0.456 218 L N 0.411 121.603 121.223 -0.052 0.000 2.156 218 L HA -0.044 4.297 4.340 0.002 0.000 0.208 218 L C 2.712 179.593 176.870 0.019 0.000 1.095 218 L CA 1.374 56.202 54.840 -0.020 0.000 0.770 218 L CB -0.869 41.175 42.059 -0.026 0.000 0.914 218 L HN 0.343 nan 8.230 nan 0.000 0.439 219 T N -2.114 112.441 114.554 0.002 0.000 2.737 219 T HA -0.189 4.162 4.350 0.002 0.000 0.265 219 T C 1.707 176.439 174.700 0.054 0.000 1.038 219 T CA 1.248 63.362 62.100 0.023 0.000 1.144 219 T CB -0.368 68.482 68.868 -0.031 0.000 0.866 219 T HN 0.437 nan 8.240 nan 0.000 0.434 220 H N 0.371 119.463 119.070 0.036 0.000 2.457 220 H HA 0.088 4.645 4.556 0.002 0.000 0.297 220 H C 2.061 177.397 175.328 0.013 0.000 1.092 220 H CA 0.678 56.739 56.048 0.022 0.000 1.309 220 H CB 0.162 29.933 29.762 0.015 0.000 1.382 220 H HN 0.094 nan 8.280 nan 0.000 0.535 221 R N 0.954 121.527 120.500 0.122 0.000 2.427 221 R HA -0.008 4.333 4.340 0.002 0.000 0.262 221 R C -0.000 176.301 176.300 0.002 0.000 0.943 221 R CA 0.055 56.184 56.100 0.048 0.000 1.081 221 R CB 0.552 30.865 30.300 0.021 0.000 1.166 221 R HN 0.361 nan 8.270 nan 0.000 0.534 222 Q N -0.622 119.195 119.800 0.029 0.000 2.457 222 Q HA -0.268 4.073 4.340 0.002 0.000 0.283 222 Q C 0.090 175.934 176.000 -0.261 0.000 1.234 222 Q CA 0.826 56.621 55.803 -0.014 0.000 0.877 222 Q CB -1.560 27.188 28.738 0.017 0.000 1.250 222 Q HN 0.356 nan 8.270 nan 0.000 0.481 223 Q N -0.135 119.578 119.800 -0.145 0.000 2.302 223 Q HA 0.287 4.628 4.340 0.002 0.000 0.202 223 Q C 0.908 176.879 176.000 -0.047 0.000 0.936 223 Q CA 0.749 56.435 55.803 -0.195 0.000 0.886 223 Q CB 0.575 29.265 28.738 -0.081 0.000 0.986 223 Q HN 0.553 nan 8.270 nan 0.000 0.487 224 L N 1.833 123.154 121.223 0.163 0.000 2.370 224 L HA 0.448 4.789 4.340 0.002 0.000 0.266 224 L C -2.378 174.751 176.870 0.432 0.000 1.002 224 L CA -2.180 52.898 54.840 0.396 0.000 0.818 224 L CB 2.303 44.579 42.059 0.362 0.000 1.325 224 L HN -0.122 nan 8.230 nan 0.000 0.418 225 P HA 0.264 nan 4.420 nan 0.000 0.276 225 P C -2.714 174.491 177.300 -0.160 0.000 1.244 225 P CA -1.929 61.111 63.100 -0.100 0.000 0.801 225 P CB -0.032 31.343 31.700 -0.542 0.000 1.006 226 P HA 0.170 nan 4.420 nan 0.000 0.262 226 P C -0.613 176.526 177.300 -0.268 0.000 1.182 226 P CA 0.918 63.929 63.100 -0.148 0.000 0.761 226 P CB -0.057 31.564 31.700 -0.131 0.000 0.795 227 A N 2.756 125.437 122.820 -0.232 0.000 2.609 227 A HA 0.642 4.963 4.320 0.002 0.000 0.291 227 A C -1.314 176.097 177.584 -0.289 0.000 1.096 227 A CA -0.558 51.240 52.037 -0.398 0.000 0.684 227 A CB 1.239 19.817 19.000 -0.703 0.000 1.282 227 A HN 0.251 nan 8.150 nan 0.000 0.412 228 V N 0.984 120.710 119.914 -0.314 0.000 2.435 228 V HA 0.501 4.622 4.120 0.002 0.000 0.290 228 V C -1.307 174.646 176.094 -0.235 0.000 1.030 228 V CA -0.238 61.973 62.300 -0.148 0.000 0.881 228 V CB 0.825 32.633 31.823 -0.025 0.000 0.983 228 V HN 0.714 nan 8.190 nan 0.000 0.445 229 Y N 2.771 123.182 120.300 0.185 0.000 2.393 229 Y HA 0.679 5.230 4.550 0.002 0.000 0.341 229 Y C -0.093 175.966 175.900 0.265 0.000 0.988 229 Y CA -0.943 57.318 58.100 0.269 0.000 1.078 229 Y CB 2.237 40.953 38.460 0.427 0.000 1.203 229 Y HN 0.339 nan 8.280 nan 0.000 0.453 230 V N 5.392 125.509 119.914 0.338 0.000 2.409 230 V HA 0.353 4.474 4.120 0.002 0.000 0.290 230 V C -0.981 175.310 176.094 0.327 0.000 1.017 230 V CA -0.653 61.812 62.300 0.274 0.000 0.841 230 V CB 1.293 33.173 31.823 0.095 0.000 1.003 230 V HN 0.468 nan 8.190 nan 0.000 0.426 231 L N 6.402 127.890 121.223 0.441 0.000 2.305 231 L HA 0.592 4.933 4.340 0.002 0.000 0.284 231 L C -0.296 176.888 176.870 0.523 0.000 1.013 231 L CA 0.089 55.214 54.840 0.476 0.000 0.819 231 L CB 1.522 43.901 42.059 0.533 0.000 1.227 231 L HN 0.473 nan 8.230 nan 0.000 0.417 232 I N 2.602 123.422 120.570 0.417 0.000 2.339 232 I HA 0.217 4.388 4.170 0.002 0.000 0.290 232 I C -0.094 176.270 176.117 0.412 0.000 0.994 232 I CA -0.846 60.690 61.300 0.394 0.000 1.191 232 I CB 1.546 39.758 38.000 0.353 0.000 1.343 232 I HN 0.487 nan 8.210 nan 0.000 0.458 233 D N 5.010 125.669 120.400 0.430 0.000 2.487 233 D HA 0.044 4.685 4.640 0.002 0.000 0.243 233 D C 0.887 177.322 176.300 0.224 0.000 1.154 233 D CA 0.310 54.527 54.000 0.361 0.000 0.876 233 D CB 1.487 42.453 40.800 0.277 0.000 1.161 233 D HN 0.664 nan 8.370 nan 0.000 0.478 234 A N 4.011 126.929 122.820 0.164 0.000 2.169 234 A HA 0.108 4.429 4.320 0.002 0.000 0.212 234 A C 1.855 179.465 177.584 0.043 0.000 1.153 234 A CA 0.814 52.896 52.037 0.075 0.000 0.756 234 A CB -0.452 18.579 19.000 0.051 0.000 0.813 234 A HN 0.843 nan 8.150 nan 0.000 0.471 235 I N -2.130 118.462 120.570 0.037 0.000 4.788 235 I HA -0.407 3.764 4.170 0.002 0.000 0.041 235 I C 0.265 176.375 176.117 -0.011 0.000 0.631 235 I CA 1.985 63.254 61.300 -0.052 0.000 0.589 235 I CB -1.182 36.644 38.000 -0.290 0.000 0.571 235 I HN 0.648 nan 8.210 nan 0.000 0.153 236 D N -1.837 118.582 120.400 0.031 0.000 2.779 236 D HA 0.322 4.963 4.640 0.002 0.000 0.331 236 D C 0.203 176.552 176.300 0.082 0.000 1.331 236 D CA 0.135 54.177 54.000 0.069 0.000 0.866 236 D CB 0.542 41.395 40.800 0.087 0.000 1.409 236 D HN 0.032 nan 8.370 nan 0.000 0.486 237 T N -0.492 114.093 114.554 0.051 0.000 2.708 237 T HA -0.088 4.263 4.350 0.002 0.000 0.266 237 T C 1.631 176.329 174.700 -0.003 0.000 1.037 237 T CA 2.514 64.624 62.100 0.016 0.000 1.146 237 T CB -0.586 68.281 68.868 -0.002 0.000 0.865 237 T HN 0.576 nan 8.240 nan 0.000 0.435 238 T N 0.861 115.403 114.554 -0.020 0.000 2.674 238 T HA -0.116 4.235 4.350 0.002 0.000 0.265 238 T C 1.767 176.335 174.700 -0.219 0.000 1.039 238 T CA 1.555 63.555 62.100 -0.166 0.000 1.150 238 T CB -0.486 68.299 68.868 -0.138 0.000 0.864 238 T HN 0.508 nan 8.240 nan 0.000 0.427 239 H N 0.634 119.671 119.070 -0.055 0.000 2.319 239 H HA 0.026 4.583 4.556 0.002 0.000 0.299 239 H C 2.519 177.818 175.328 -0.047 0.000 1.092 239 H CA 1.705 57.749 56.048 -0.008 0.000 1.302 239 H CB -0.112 29.649 29.762 -0.001 0.000 1.373 239 H HN 0.158 nan 8.280 nan 0.000 0.497 240 R N 0.472 121.019 120.500 0.078 0.000 2.091 240 R HA -0.125 4.216 4.340 0.002 0.000 0.238 240 R C 2.185 178.513 176.300 0.047 0.000 1.136 240 R CA 1.306 57.418 56.100 0.020 0.000 0.959 240 R CB -0.250 30.075 30.300 0.041 0.000 0.856 240 R HN 0.368 nan 8.270 nan 0.000 0.437 241 A N -0.773 122.085 122.820 0.062 0.000 2.119 241 A HA -0.085 4.236 4.320 0.002 0.000 0.216 241 A C 1.439 179.008 177.584 -0.026 0.000 1.152 241 A CA 1.047 53.170 52.037 0.143 0.000 0.708 241 A CB -0.414 18.688 19.000 0.170 0.000 0.805 241 A HN 0.547 nan 8.150 nan 0.000 0.460 242 H N -1.472 117.574 119.070 -0.039 0.000 2.520 242 H HA 0.115 4.672 4.556 0.002 0.000 0.279 242 H C 1.803 177.031 175.328 -0.167 0.000 0.990 242 H CA 0.918 56.916 56.048 -0.083 0.000 1.288 242 H CB 0.400 30.116 29.762 -0.078 0.000 1.446 242 H HN 0.559 nan 8.280 nan 0.000 0.538 243 E N 0.285 120.425 120.200 -0.101 0.000 2.201 243 E HA 0.024 4.375 4.350 0.002 0.000 0.193 243 E C 1.807 178.098 176.600 -0.514 0.000 0.957 243 E CA 0.109 56.343 56.400 -0.277 0.000 0.858 243 E CB 0.499 29.996 29.700 -0.340 0.000 0.816 243 E HN 0.331 nan 8.360 nan 0.000 0.475 244 L N 1.117 122.051 121.223 -0.482 0.000 2.068 244 L HA 0.024 4.365 4.340 0.002 0.000 0.204 244 L C -1.440 175.125 176.870 -0.509 0.000 1.076 244 L CA 0.356 54.920 54.840 -0.460 0.000 0.753 244 L CB -0.996 40.902 42.059 -0.268 0.000 0.910 244 L HN -0.059 nan 8.230 nan 0.000 0.439 245 P HA 0.143 nan 4.420 nan 0.000 0.277 245 P C -0.335 176.245 177.300 -1.200 0.000 1.354 245 P CA -0.242 62.062 63.100 -1.328 0.000 0.891 245 P CB 0.220 30.395 31.700 -2.541 0.000 1.058 246 C N 1.715 120.428 119.300 -0.979 0.000 4.167 246 C HA -0.153 4.308 4.460 0.002 0.000 0.302 246 C C 0.675 175.136 174.990 -0.882 0.000 1.384 246 C CA 0.041 58.252 59.018 -1.344 0.000 2.041 246 C CB -2.894 24.394 27.740 -0.753 0.000 1.303 246 C HN 0.643 nan 8.230 nan 0.000 0.718 247 N N 0.163 118.563 118.700 -0.500 0.000 2.511 247 N HA 0.579 5.320 4.740 0.002 0.000 0.249 247 N C 0.635 176.343 175.510 0.331 0.000 0.971 247 N CA 0.311 53.321 53.050 -0.067 0.000 0.938 247 N CB 1.504 39.951 38.487 -0.066 0.000 1.131 247 N HN 0.447 nan 8.380 nan 0.000 0.505 248 A N 3.454 126.541 122.820 0.445 0.000 1.933 248 A HA -0.141 4.180 4.320 0.002 0.000 0.218 248 A C 1.544 179.368 177.584 0.401 0.000 1.175 248 A CA 1.357 53.795 52.037 0.669 0.000 0.628 248 A CB -0.207 19.118 19.000 0.542 0.000 0.814 248 A HN 0.667 nan 8.150 nan 0.000 0.444 249 D N -1.030 119.521 120.400 0.253 0.000 2.104 249 D HA -0.159 4.482 4.640 0.002 0.000 0.194 249 D C 1.573 177.945 176.300 0.119 0.000 0.994 249 D CA 1.308 55.401 54.000 0.154 0.000 0.830 249 D CB -0.448 40.418 40.800 0.110 0.000 0.959 249 D HN 0.460 nan 8.370 nan 0.000 0.452 250 F N -0.227 119.710 119.950 -0.021 0.000 2.095 250 F HA -0.201 4.327 4.527 0.002 0.000 0.298 250 F C 1.955 177.606 175.800 -0.248 0.000 1.104 250 F CA 1.599 59.500 58.000 -0.166 0.000 1.232 250 F CB -0.539 38.272 39.000 -0.315 0.000 0.987 250 F HN 0.012 nan 8.300 nan 0.000 0.475 251 W N 0.281 121.579 121.300 -0.004 0.000 2.467 251 W HA -0.026 4.635 4.660 0.001 0.000 0.275 251 W C 2.227 178.450 176.519 -0.493 0.000 1.239 251 W CA 0.673 57.836 57.345 -0.303 0.000 1.266 251 W CB -0.465 28.818 29.460 -0.295 0.000 1.112 251 W HN 0.009 nan 8.180 nan 0.000 0.576 252 L N -0.080 121.020 121.223 -0.206 0.000 2.046 252 L HA -0.200 4.141 4.340 0.002 0.000 0.208 252 L C 2.661 179.485 176.870 -0.077 0.000 1.077 252 L CA 1.378 56.121 54.840 -0.161 0.000 0.747 252 L CB -1.267 40.779 42.059 -0.023 0.000 0.896 252 L HN -0.005 nan 8.230 nan 0.000 0.432 253 A N -0.361 122.433 122.820 -0.043 0.000 1.898 253 A HA -0.128 4.193 4.320 0.002 0.000 0.216 253 A C 2.358 179.986 177.584 0.074 0.000 1.181 253 A CA 1.542 53.630 52.037 0.083 0.000 0.620 253 A CB -0.789 18.287 19.000 0.126 0.000 0.819 253 A HN 0.169 nan 8.150 nan 0.000 0.442 254 V N -0.028 119.781 119.914 -0.176 0.000 2.255 254 V HA -0.354 3.767 4.120 0.002 0.000 0.247 254 V C 2.693 178.698 176.094 -0.149 0.000 1.051 254 V CA 2.477 64.574 62.300 -0.337 0.000 1.018 254 V CB -0.867 30.676 31.823 -0.466 0.000 0.641 254 V HN 0.662 nan 8.190 nan 0.000 0.445 255 Q N -1.000 118.773 119.800 -0.045 0.000 2.123 255 Q HA -0.198 4.143 4.340 0.002 0.000 0.199 255 Q C 2.300 178.268 176.000 -0.053 0.000 0.966 255 Q CA 1.440 57.222 55.803 -0.035 0.000 0.845 255 Q CB -0.061 28.614 28.738 -0.106 0.000 0.907 255 Q HN 0.685 nan 8.270 nan 0.000 0.439 256 Q N -0.454 119.319 119.800 -0.044 0.000 2.302 256 Q HA -0.048 4.293 4.340 0.002 0.000 0.202 256 Q C 1.129 177.132 176.000 0.005 0.000 0.936 256 Q CA 0.768 56.563 55.803 -0.013 0.000 0.886 256 Q CB 0.522 29.263 28.738 0.005 0.000 0.986 256 Q HN 0.336 nan 8.270 nan 0.000 0.487 257 E N -0.451 119.757 120.200 0.013 0.000 2.288 257 E HA -0.001 4.350 4.350 0.002 0.000 0.200 257 E C 1.466 177.982 176.600 -0.139 0.000 0.880 257 E CA 0.025 56.459 56.400 0.056 0.000 0.971 257 E CB 0.196 30.086 29.700 0.317 0.000 0.954 257 E HN 0.030 nan 8.360 nan 0.000 0.489 258 L N 1.366 122.325 121.223 -0.440 0.000 2.084 258 L HA 0.024 4.365 4.340 0.002 0.000 0.202 258 L C 1.994 178.660 176.870 -0.341 0.000 1.074 258 L CA 1.335 55.711 54.840 -0.774 0.000 0.757 258 L CB -0.238 40.956 42.059 -1.441 0.000 0.918 258 L HN 0.093 nan 8.230 nan 0.000 0.444 259 L N -0.053 121.055 121.223 -0.192 0.000 2.013 259 L HA -0.178 4.163 4.340 0.002 0.000 0.212 259 L C -0.107 176.824 176.870 0.101 0.000 1.073 259 L CA 1.473 56.335 54.840 0.036 0.000 0.753 259 L CB -2.308 39.819 42.059 0.113 0.000 0.890 259 L HN 0.270 nan 8.230 nan 0.000 0.432 260 P HA -0.186 nan 4.420 nan 0.000 0.216 260 P C 1.806 179.093 177.300 -0.022 0.000 1.150 260 P CA 1.140 64.231 63.100 -0.016 0.000 0.837 260 P CB 0.076 31.760 31.700 -0.026 0.000 0.786 261 L N -0.947 120.252 121.223 -0.039 0.000 2.109 261 L HA -0.095 4.246 4.340 0.002 0.000 0.207 261 L C 2.243 179.109 176.870 -0.006 0.000 1.086 261 L CA 1.602 56.420 54.840 -0.036 0.000 0.760 261 L CB -1.085 40.931 42.059 -0.073 0.000 0.910 261 L HN -0.187 nan 8.230 nan 0.000 0.437 262 V N -0.657 119.273 119.914 0.027 0.000 2.427 262 V HA -0.288 3.833 4.120 0.002 0.000 0.248 262 V C 2.544 178.745 176.094 0.179 0.000 1.051 262 V CA 1.745 64.114 62.300 0.114 0.000 1.048 262 V CB -0.591 31.322 31.823 0.149 0.000 0.666 262 V HN 0.442 nan 8.190 nan 0.000 0.456 263 K N 0.313 120.802 120.400 0.149 0.000 2.147 263 K HA -0.163 4.158 4.320 0.002 0.000 0.205 263 K C 1.971 178.500 176.600 -0.118 0.000 1.049 263 K CA 1.766 57.972 56.287 -0.135 0.000 0.936 263 K CB -0.091 32.144 32.500 -0.442 0.000 0.722 263 K HN 0.548 nan 8.250 nan 0.000 0.446 264 V N -1.816 118.061 119.914 -0.062 0.000 2.719 264 V HA -0.070 4.051 4.120 0.002 0.000 0.252 264 V C 1.866 177.941 176.094 -0.031 0.000 1.065 264 V CA 1.074 63.341 62.300 -0.055 0.000 1.086 264 V CB -0.404 31.392 31.823 -0.044 0.000 0.700 264 V HN 0.188 nan 8.190 nan 0.000 0.467 265 I N 1.045 121.612 120.570 -0.006 0.000 2.400 265 I HA 0.280 4.451 4.170 0.002 0.000 0.248 265 I C 1.337 177.462 176.117 0.012 0.000 1.109 265 I CA 1.244 62.548 61.300 0.007 0.000 1.425 265 I CB -0.052 37.962 38.000 0.024 0.000 1.094 265 I HN 0.440 nan 8.210 nan 0.000 0.425 266 A N 1.406 124.248 122.820 0.037 0.000 2.768 266 A HA 0.514 4.835 4.320 0.002 0.000 0.298 266 A C -2.679 174.952 177.584 0.077 0.000 1.159 266 A CA -1.080 50.988 52.037 0.053 0.000 0.783 266 A CB -0.026 19.026 19.000 0.086 0.000 1.333 266 A HN -0.133 nan 8.150 nan 0.000 0.412 267 P HA 0.428 nan 4.420 nan 0.000 0.266 267 P C -0.595 176.660 177.300 -0.075 0.000 1.195 267 P CA 0.467 63.468 63.100 -0.166 0.000 0.768 267 P CB 0.094 31.705 31.700 -0.149 0.000 0.838 268 F N -1.274 118.634 119.950 -0.070 0.000 2.664 268 F HA 0.662 5.190 4.527 0.002 0.000 0.317 268 F C -0.100 175.654 175.800 -0.075 0.000 1.108 268 F CA -1.597 56.355 58.000 -0.081 0.000 0.957 268 F CB 0.531 39.489 39.000 -0.070 0.000 1.365 268 F HN 0.146 nan 8.300 nan 0.000 0.475 269 S N 0.005 115.808 115.700 0.172 0.000 2.576 269 S HA 0.178 4.649 4.470 0.002 0.000 0.276 269 S C 0.232 174.907 174.600 0.127 0.000 1.339 269 S CA -0.270 57.970 58.200 0.067 0.000 1.039 269 S CB 0.355 63.571 63.200 0.028 0.000 0.902 269 S HN 0.661 nan 8.310 nan 0.000 0.516 270 D N 2.048 122.463 120.400 0.025 0.000 2.339 270 D HA 0.114 4.755 4.640 0.002 0.000 0.217 270 D C 0.163 176.477 176.300 0.023 0.000 1.050 270 D CA 0.225 54.242 54.000 0.028 0.000 0.856 270 D CB 0.065 40.849 40.800 -0.026 0.000 0.922 270 D HN 0.469 nan 8.370 nan 0.000 0.518 271 R N 0.731 121.248 120.500 0.029 0.000 2.399 271 R HA 0.238 4.579 4.340 0.002 0.000 0.324 271 R C 1.255 177.582 176.300 0.046 0.000 1.030 271 R CA -0.152 55.965 56.100 0.028 0.000 0.984 271 R CB 0.856 31.170 30.300 0.023 0.000 0.961 271 R HN -0.045 nan 8.270 nan 0.000 0.433 272 A N 3.685 126.522 122.820 0.028 0.000 1.948 272 A HA -0.245 4.076 4.320 0.002 0.000 0.220 272 A C 1.546 179.177 177.584 0.078 0.000 1.177 272 A CA 1.955 54.013 52.037 0.035 0.000 0.636 272 A CB -0.321 18.689 19.000 0.016 0.000 0.815 272 A HN 0.863 nan 8.150 nan 0.000 0.449 273 D N -0.022 120.423 120.400 0.074 0.000 2.378 273 D HA -0.179 4.462 4.640 0.002 0.000 0.222 273 D C 1.429 177.816 176.300 0.145 0.000 0.980 273 D CA 1.244 55.301 54.000 0.095 0.000 0.907 273 D CB -0.395 40.450 40.800 0.074 0.000 0.899 273 D HN 0.748 nan 8.370 nan 0.000 0.527 274 R N -1.328 119.271 120.500 0.165 0.000 2.509 274 R HA 0.203 4.544 4.340 0.002 0.000 0.297 274 R C -0.284 176.239 176.300 0.372 0.000 0.951 274 R CA -0.435 55.840 56.100 0.291 0.000 1.103 274 R CB -0.284 30.116 30.300 0.168 0.000 1.283 274 R HN -0.150 nan 8.270 nan 0.000 0.534 275 T N 2.079 116.770 114.554 0.228 0.000 2.729 275 T HA 0.286 4.637 4.350 0.002 0.000 0.296 275 T C -0.155 174.668 174.700 0.206 0.000 0.928 275 T CA -0.261 61.969 62.100 0.217 0.000 1.045 275 T CB 1.800 70.756 68.868 0.147 0.000 0.902 275 T HN -0.066 nan 8.240 nan 0.000 0.500 276 V N 4.790 124.795 119.914 0.151 0.000 2.481 276 V HA 0.449 4.570 4.120 0.002 0.000 0.286 276 V C 0.283 176.397 176.094 0.034 0.000 1.042 276 V CA -0.782 61.516 62.300 -0.005 0.000 0.928 276 V CB 1.467 33.133 31.823 -0.261 0.000 0.986 276 V HN 0.770 nan 8.190 nan 0.000 0.462 277 V N 1.938 121.831 119.914 -0.037 0.000 2.409 277 V HA 0.964 5.085 4.120 0.002 0.000 0.291 277 V C -0.003 176.054 176.094 -0.062 0.000 1.020 277 V CA -0.725 61.530 62.300 -0.076 0.000 0.848 277 V CB 1.092 32.724 31.823 -0.317 0.000 0.990 277 V HN 0.999 nan 8.190 nan 0.000 0.430 278 A N 3.463 126.266 122.820 -0.027 0.000 2.343 278 A HA 1.050 5.371 4.320 0.002 0.000 0.316 278 A C 0.144 177.697 177.584 -0.051 0.000 1.104 278 A CA 0.022 52.011 52.037 -0.081 0.000 0.768 278 A CB 1.576 20.487 19.000 -0.149 0.000 1.213 278 A HN 1.789 nan 8.150 nan 0.000 0.456 279 G N 0.412 109.155 108.800 -0.094 0.000 2.682 279 G HA2 0.591 4.552 3.960 0.002 0.000 0.290 279 G HA3 0.591 4.552 3.960 0.002 0.000 0.290 279 G C -1.777 172.968 174.900 -0.258 0.000 1.425 279 G CA -0.579 44.459 45.100 -0.104 0.000 0.807 279 G HN 0.693 nan 8.290 nan 0.000 0.482 280 Q N -0.038 119.547 119.800 -0.358 0.000 2.375 280 Q HA 0.650 4.991 4.340 0.002 0.000 0.271 280 Q C 0.606 176.290 176.000 -0.526 0.000 1.074 280 Q CA 0.111 55.471 55.803 -0.738 0.000 0.808 280 Q CB 2.236 30.073 28.738 -1.502 0.000 1.327 280 Q HN 1.667 nan 8.270 nan 0.000 0.441 281 S N 0.840 116.285 115.700 -0.426 0.000 4.138 281 S HA -0.363 4.108 4.470 0.002 0.000 0.574 281 S C 1.088 175.683 174.600 -0.008 0.000 1.895 281 S CA 1.376 59.508 58.200 -0.113 0.000 4.239 281 S CB -1.332 61.894 63.200 0.043 0.000 0.264 281 S HN 0.509 nan 8.310 nan 0.000 0.489 282 F N 3.233 123.091 119.950 -0.153 0.000 2.192 282 F HA 0.079 4.608 4.527 0.002 0.000 0.301 282 F C 2.939 178.615 175.800 -0.208 0.000 1.079 282 F CA 1.255 59.132 58.000 -0.205 0.000 1.303 282 F CB -1.800 37.087 39.000 -0.187 0.000 1.024 282 F HN 0.738 nan 8.300 nan 0.000 0.494 283 G N -0.945 107.862 108.800 0.011 0.000 2.448 283 G HA2 -0.041 3.920 3.960 0.002 0.000 0.218 283 G HA3 -0.041 3.920 3.960 0.002 0.000 0.218 283 G C 2.008 176.890 174.900 -0.030 0.000 1.135 283 G CA 0.698 45.792 45.100 -0.011 0.000 0.784 283 G HN 0.511 nan 8.290 nan 0.000 0.543 284 G N 0.978 109.709 108.800 -0.115 0.000 2.394 284 G HA2 -0.056 3.905 3.960 0.002 0.000 0.215 284 G HA3 -0.056 3.905 3.960 0.002 0.000 0.215 284 G C 1.707 176.571 174.900 -0.060 0.000 1.165 284 G CA 0.937 45.973 45.100 -0.107 0.000 0.784 284 G HN 0.408 nan 8.290 nan 0.000 0.535 285 L N 0.922 122.009 121.223 -0.226 0.000 2.046 285 L HA 0.043 4.384 4.340 0.002 0.000 0.208 285 L C 2.708 179.598 176.870 0.033 0.000 1.077 285 L CA 2.603 57.298 54.840 -0.242 0.000 0.747 285 L CB -0.857 40.963 42.059 -0.397 0.000 0.896 285 L HN 0.177 nan 8.230 nan 0.000 0.432 286 S N -0.763 114.959 115.700 0.036 0.000 2.368 286 S HA -0.143 4.328 4.470 0.002 0.000 0.225 286 S C 2.126 176.878 174.600 0.254 0.000 1.030 286 S CA 1.169 59.514 58.200 0.241 0.000 0.999 286 S CB -0.520 62.855 63.200 0.291 0.000 0.844 286 S HN 0.727 nan 8.310 nan 0.000 0.459 287 A N 1.141 124.043 122.820 0.137 0.000 1.883 287 A HA -0.060 4.261 4.320 0.002 0.000 0.217 287 A C 2.116 179.666 177.584 -0.057 0.000 1.186 287 A CA 1.705 53.728 52.037 -0.022 0.000 0.624 287 A CB -0.868 18.130 19.000 -0.004 0.000 0.822 287 A HN 0.535 nan 8.150 nan 0.000 0.444 288 L N -1.715 119.559 121.223 0.085 0.000 2.093 288 L HA -0.098 4.243 4.340 0.002 0.000 0.208 288 L C 2.265 179.192 176.870 0.096 0.000 1.085 288 L CA 2.177 57.080 54.840 0.105 0.000 0.755 288 L CB -0.920 41.270 42.059 0.218 0.000 0.904 288 L HN 0.528 nan 8.230 nan 0.000 0.435 289 Y N 0.214 120.539 120.300 0.042 0.000 2.165 289 Y HA -0.267 4.284 4.550 0.002 0.000 0.286 289 Y C 2.342 178.244 175.900 0.004 0.000 1.155 289 Y CA 1.969 60.122 58.100 0.088 0.000 1.164 289 Y CB -0.487 38.049 38.460 0.127 0.000 0.978 289 Y HN 0.245 nan 8.280 nan 0.000 0.513 290 A N -0.025 122.641 122.820 -0.258 0.000 1.898 290 A HA -0.058 4.263 4.320 0.002 0.000 0.216 290 A C 2.465 179.981 177.584 -0.112 0.000 1.181 290 A CA 1.588 53.332 52.037 -0.489 0.000 0.620 290 A CB -1.645 16.384 19.000 -1.619 0.000 0.819 290 A HN 0.581 nan 8.150 nan 0.000 0.442 291 G N -0.431 108.291 108.800 -0.130 0.000 2.422 291 G HA2 -0.088 3.873 3.960 0.002 0.000 0.218 291 G HA3 -0.088 3.873 3.960 0.002 0.000 0.218 291 G C 1.521 176.376 174.900 -0.075 0.000 1.140 291 G CA 0.913 46.006 45.100 -0.012 0.000 0.775 291 G HN 0.422 nan 8.290 nan 0.000 0.545 292 L N -0.727 120.393 121.223 -0.172 0.000 2.109 292 L HA 0.027 4.368 4.340 0.002 0.000 0.207 292 L C 2.590 179.132 176.870 -0.547 0.000 1.086 292 L CA 0.865 55.519 54.840 -0.310 0.000 0.760 292 L CB -0.270 41.604 42.059 -0.310 0.000 0.910 292 L HN 0.253 nan 8.230 nan 0.000 0.437 293 H N -2.391 116.306 119.070 -0.621 0.000 2.553 293 H HA 0.048 4.605 4.556 0.002 0.000 0.276 293 H C 0.296 174.915 175.328 -1.181 0.000 0.979 293 H CA 0.533 55.933 56.048 -1.080 0.000 1.268 293 H CB 0.708 29.357 29.762 -1.855 0.000 1.450 293 H HN 0.317 nan 8.280 nan 0.000 0.527 294 W N 2.425 123.747 121.300 0.036 0.000 1.506 294 W HA 0.228 4.888 4.660 0.001 0.000 0.296 294 W C -2.178 174.369 176.519 0.046 0.000 0.847 294 W CA -1.669 55.718 57.345 0.070 0.000 2.203 294 W CB 0.505 30.064 29.460 0.165 0.000 2.219 294 W HN 0.077 nan 8.180 nan 0.000 0.464 295 P HA -0.204 nan 4.420 nan 0.000 0.225 295 P C 1.429 178.758 177.300 0.048 0.000 1.148 295 P CA 1.669 64.805 63.100 0.060 0.000 0.779 295 P CB 0.163 31.858 31.700 -0.009 0.000 0.780 296 E N 0.576 120.805 120.200 0.047 0.000 2.274 296 E HA -0.163 4.188 4.350 0.002 0.000 0.194 296 E C 1.931 178.510 176.600 -0.035 0.000 0.996 296 E CA 0.833 57.244 56.400 0.018 0.000 0.840 296 E CB -0.330 29.389 29.700 0.032 0.000 0.772 296 E HN 0.137 nan 8.360 nan 0.000 0.491 297 R N -0.113 120.327 120.500 -0.100 0.000 2.142 297 R HA 0.197 4.538 4.340 0.002 0.000 0.204 297 R C -0.189 175.831 176.300 -0.467 0.000 1.059 297 R CA 0.530 56.390 56.100 -0.399 0.000 1.055 297 R CB 0.209 30.062 30.300 -0.745 0.000 0.976 297 R HN 0.037 nan 8.270 nan 0.000 0.483 298 F N -0.282 119.706 119.950 0.065 0.000 2.366 298 F HA 0.470 4.997 4.527 0.002 0.000 0.366 298 F C 1.023 176.830 175.800 0.011 0.000 1.096 298 F CA -0.933 57.079 58.000 0.019 0.000 1.060 298 F CB 2.062 41.039 39.000 -0.038 0.000 1.282 298 F HN 0.127 nan 8.300 nan 0.000 0.450 299 G N 0.790 109.691 108.800 0.169 0.000 3.020 299 G HA2 0.171 4.132 3.960 0.002 0.000 0.217 299 G HA3 0.171 4.132 3.960 0.002 0.000 0.217 299 G C -0.383 174.574 174.900 0.094 0.000 1.144 299 G CA 0.114 45.279 45.100 0.110 0.000 0.760 299 G HN 0.586 nan 8.290 nan 0.000 0.548 300 C N 0.779 120.134 119.300 0.090 0.000 2.364 300 C HA 0.695 5.156 4.460 0.002 0.000 0.324 300 C C -0.208 174.780 174.990 -0.003 0.000 1.234 300 C CA -0.957 58.081 59.018 0.035 0.000 1.417 300 C CB 0.966 28.694 27.740 -0.019 0.000 2.101 300 C HN 0.034 nan 8.230 nan 0.000 0.466 301 V N 4.515 124.427 119.914 -0.005 0.000 2.495 301 V HA 0.513 4.634 4.120 0.002 0.000 0.298 301 V C -0.363 175.709 176.094 -0.036 0.000 1.031 301 V CA -0.416 61.870 62.300 -0.023 0.000 0.871 301 V CB 1.799 33.626 31.823 0.006 0.000 0.988 301 V HN 0.785 nan 8.190 nan 0.000 0.432 302 L N 4.412 125.592 121.223 -0.073 0.000 2.345 302 L HA 0.611 4.952 4.340 0.002 0.000 0.274 302 L C -0.188 176.632 176.870 -0.083 0.000 0.999 302 L CA 0.065 54.846 54.840 -0.098 0.000 0.849 302 L CB 1.569 43.526 42.059 -0.169 0.000 1.220 302 L HN 0.708 nan 8.230 nan 0.000 0.422 303 S N 4.569 120.244 115.700 -0.043 0.000 2.456 303 S HA 0.531 5.002 4.470 0.002 0.000 0.316 303 S C -0.858 173.692 174.600 -0.084 0.000 1.089 303 S CA -0.508 57.681 58.200 -0.019 0.000 1.101 303 S CB 1.161 64.449 63.200 0.148 0.000 0.995 303 S HN 0.704 nan 8.310 nan 0.000 0.468 304 Q N 2.802 122.479 119.800 -0.204 0.000 2.325 304 Q HA 0.450 4.791 4.340 0.002 0.000 0.270 304 Q C -0.145 175.682 176.000 -0.289 0.000 1.020 304 Q CA -0.796 54.844 55.803 -0.272 0.000 0.785 304 Q CB 1.773 30.232 28.738 -0.466 0.000 1.259 304 Q HN 0.805 nan 8.270 nan 0.000 0.452 305 S N 0.767 116.431 115.700 -0.060 0.000 3.581 305 S HA -0.180 4.291 4.470 0.002 0.000 0.354 305 S C 0.510 175.118 174.600 0.013 0.000 1.059 305 S CA 0.389 58.636 58.200 0.079 0.000 1.060 305 S CB -1.270 62.106 63.200 0.292 0.000 0.908 305 S HN 0.936 nan 8.310 nan 0.000 0.475 306 G N 0.921 109.696 108.800 -0.042 0.000 2.380 306 G HA2 0.351 4.312 3.960 0.002 0.000 0.242 306 G HA3 0.351 4.312 3.960 0.002 0.000 0.242 306 G C 0.181 174.812 174.900 -0.449 0.000 1.298 306 G CA -0.303 44.579 45.100 -0.362 0.000 0.878 306 G HN 0.513 nan 8.290 nan 0.000 0.542 307 S N 1.971 117.459 115.700 -0.354 0.000 4.175 307 S HA 0.089 4.560 4.470 0.002 0.000 0.193 307 S C 0.345 174.887 174.600 -0.096 0.000 1.373 307 S CA -0.260 57.909 58.200 -0.051 0.000 0.908 307 S CB -0.354 63.035 63.200 0.316 0.000 1.547 307 S HN 0.605 nan 8.310 nan 0.000 0.440 308 Y N -0.684 119.676 120.300 0.101 0.000 2.578 308 Y HA 0.052 4.603 4.550 0.002 0.000 0.297 308 Y C 1.065 177.049 175.900 0.139 0.000 1.176 308 Y CA -0.162 57.974 58.100 0.060 0.000 1.315 308 Y CB 0.128 38.545 38.460 -0.072 0.000 1.031 308 Y HN 0.620 nan 8.280 nan 0.000 0.524 309 W N -1.351 120.132 121.300 0.305 0.000 3.239 309 W HA 0.117 4.778 4.660 0.002 0.000 0.368 309 W C -0.036 176.620 176.519 0.228 0.000 1.154 309 W CA -1.553 55.949 57.345 0.260 0.000 1.860 309 W CB -0.859 28.725 29.460 0.207 0.000 1.094 309 W HN 0.062 nan 8.180 nan 0.000 0.643 310 W N 5.279 126.717 121.300 0.230 0.000 2.210 310 W HA 0.088 4.748 4.660 0.001 0.000 0.330 310 W C -1.228 175.258 176.519 -0.055 0.000 1.334 310 W CA -1.073 56.299 57.345 0.045 0.000 1.227 310 W CB 0.984 30.388 29.460 -0.093 0.000 1.178 310 W HN -0.234 nan 8.180 nan 0.000 0.560 311 P HA -0.019 nan 4.420 nan 0.000 0.261 311 P C -0.650 176.213 177.300 -0.728 0.000 1.352 311 P CA 0.620 62.796 63.100 -1.540 0.000 0.891 311 P CB 0.101 30.640 31.700 -1.935 0.000 1.383 312 H N 0.996 119.963 119.070 -0.170 0.000 2.640 312 H HA 0.319 4.876 4.556 0.002 0.000 0.297 312 H C 0.714 176.033 175.328 -0.016 0.000 1.073 312 H CA -0.547 55.443 56.048 -0.097 0.000 1.305 312 H CB 0.840 30.546 29.762 -0.094 0.000 1.404 312 H HN 0.023 nan 8.280 nan 0.000 0.459 317 Q N 0.774 120.348 119.800 -0.376 0.000 2.397 317 Q HA 0.341 4.682 4.340 0.002 0.000 0.275 317 Q C -1.235 174.622 176.000 -0.238 0.000 1.090 317 Q CA -0.348 55.239 55.803 -0.360 0.000 0.809 317 Q CB 2.124 30.466 28.738 -0.659 0.000 1.362 317 Q HN 0.039 nan 8.270 nan 0.000 0.431 318 E N 0.476 120.660 120.200 -0.026 0.000 2.415 318 E HA 0.124 4.475 4.350 0.002 0.000 0.262 318 E C -0.051 176.821 176.600 0.453 0.000 1.038 318 E CA 0.075 56.642 56.400 0.277 0.000 0.921 318 E CB 0.558 30.408 29.700 0.250 0.000 0.950 318 E HN 0.741 nan 8.360 nan 0.000 0.438 319 G N 0.771 109.986 108.800 0.692 0.000 2.484 319 G HA2 0.023 3.984 3.960 0.002 0.000 0.235 319 G HA3 0.023 3.984 3.960 0.002 0.000 0.235 319 G C 1.241 176.382 174.900 0.401 0.000 1.282 319 G CA -0.014 45.414 45.100 0.547 0.000 0.857 319 G HN 0.455 nan 8.290 nan 0.000 0.571 320 V N 1.540 121.658 119.914 0.340 0.000 2.332 320 V HA -0.191 3.930 4.120 0.002 0.000 0.248 320 V C 2.521 178.788 176.094 0.288 0.000 1.055 320 V CA 1.863 64.339 62.300 0.292 0.000 1.038 320 V CB -0.943 31.045 31.823 0.276 0.000 0.651 320 V HN 0.498 nan 8.190 nan 0.000 0.450 321 L N -0.304 121.117 121.223 0.330 0.000 2.046 321 L HA -0.011 4.330 4.340 0.002 0.000 0.208 321 L C 2.299 179.294 176.870 0.209 0.000 1.077 321 L CA 2.033 57.052 54.840 0.297 0.000 0.747 321 L CB -0.980 41.294 42.059 0.359 0.000 0.896 321 L HN 0.401 nan 8.230 nan 0.000 0.432 322 L N -0.169 121.186 121.223 0.219 0.000 2.046 322 L HA -0.197 4.144 4.340 0.002 0.000 0.208 322 L C 2.403 179.350 176.870 0.127 0.000 1.077 322 L CA 1.720 56.647 54.840 0.145 0.000 0.747 322 L CB -0.960 41.212 42.059 0.189 0.000 0.896 322 L HN 0.417 nan 8.230 nan 0.000 0.432 323 E N -0.444 119.854 120.200 0.162 0.000 2.070 323 E HA -0.282 4.069 4.350 0.002 0.000 0.197 323 E C 2.095 178.751 176.600 0.093 0.000 1.004 323 E CA 1.837 58.313 56.400 0.126 0.000 0.805 323 E CB -0.144 29.641 29.700 0.142 0.000 0.744 323 E HN 0.534 nan 8.360 nan 0.000 0.451 324 K N 0.279 120.741 120.400 0.104 0.000 2.057 324 K HA -0.143 4.178 4.320 0.002 0.000 0.206 324 K C 2.195 178.815 176.600 0.034 0.000 1.050 324 K CA 0.744 57.075 56.287 0.072 0.000 0.935 324 K CB -0.171 32.384 32.500 0.091 0.000 0.715 324 K HN 0.013 nan 8.250 nan 0.000 0.439 325 L N 2.094 123.334 121.223 0.028 0.000 2.046 325 L HA -0.162 4.179 4.340 0.002 0.000 0.208 325 L C 2.139 179.009 176.870 -0.000 0.000 1.077 325 L CA 1.734 56.572 54.840 -0.004 0.000 0.747 325 L CB -0.273 41.771 42.059 -0.024 0.000 0.896 325 L HN 0.063 nan 8.230 nan 0.000 0.432 326 K N -1.022 119.385 120.400 0.012 0.000 2.009 326 K HA -0.154 4.167 4.320 0.002 0.000 0.210 326 K C 1.951 178.564 176.600 0.021 0.000 1.049 326 K CA 1.521 57.816 56.287 0.014 0.000 0.929 326 K CB -0.322 32.196 32.500 0.028 0.000 0.714 326 K HN 0.409 nan 8.250 nan 0.000 0.440 327 A N 0.023 122.858 122.820 0.026 0.000 2.067 327 A HA -0.007 4.314 4.320 0.002 0.000 0.219 327 A C 1.512 179.105 177.584 0.015 0.000 1.158 327 A CA 1.634 53.685 52.037 0.023 0.000 0.661 327 A CB -0.480 18.538 19.000 0.030 0.000 0.801 327 A HN 0.528 nan 8.150 nan 0.000 0.452 328 G N -0.826 107.981 108.800 0.011 0.000 2.143 328 G HA2 -0.351 3.610 3.960 0.002 0.000 0.249 328 G HA3 -0.351 3.610 3.960 0.002 0.000 0.249 328 G C 0.701 175.593 174.900 -0.013 0.000 0.981 328 G CA 1.058 46.159 45.100 0.001 0.000 0.665 328 G HN 0.707 nan 8.290 nan 0.000 0.528 329 E N -0.205 119.991 120.200 -0.007 0.000 2.106 329 E HA 0.127 4.478 4.350 0.002 0.000 0.192 329 E C 1.490 178.057 176.600 -0.055 0.000 0.984 329 E CA 1.468 57.859 56.400 -0.014 0.000 0.806 329 E CB -0.018 29.690 29.700 0.014 0.000 0.750 329 E HN 1.073 nan 8.360 nan 0.000 0.458 330 V N -1.949 117.920 119.914 -0.075 0.000 2.994 330 V HA 0.641 4.762 4.120 0.002 0.000 0.318 330 V C -0.294 175.734 176.094 -0.110 0.000 1.085 330 V CA -0.879 61.328 62.300 -0.155 0.000 0.998 330 V CB 1.741 33.413 31.823 -0.251 0.000 1.063 330 V HN 0.033 nan 8.190 nan 0.000 0.447 331 S N 0.719 116.340 115.700 -0.133 0.000 2.536 331 S HA 0.764 5.235 4.470 0.002 0.000 0.287 331 S C 0.470 175.019 174.600 -0.085 0.000 1.101 331 S CA 0.023 58.174 58.200 -0.082 0.000 0.950 331 S CB 1.826 64.989 63.200 -0.063 0.000 1.056 331 S HN 1.624 nan 8.310 nan 0.000 0.481 332 A N 2.623 125.415 122.820 -0.047 0.000 2.275 332 A HA 0.308 4.629 4.320 0.002 0.000 0.212 332 A C 0.620 178.194 177.584 -0.017 0.000 1.201 332 A CA -0.115 51.899 52.037 -0.037 0.000 0.843 332 A CB -0.300 18.683 19.000 -0.028 0.000 0.873 332 A HN 0.821 nan 8.150 nan 0.000 0.492 333 E N -0.073 120.117 120.200 -0.016 0.000 2.480 333 E HA 0.282 4.633 4.350 0.002 0.000 0.258 333 E C 1.230 177.826 176.600 -0.007 0.000 0.984 333 E CA 0.812 57.207 56.400 -0.007 0.000 0.930 333 E CB 0.001 29.692 29.700 -0.015 0.000 0.936 333 E HN 0.658 nan 8.360 nan 0.000 0.466 334 G N 3.727 112.530 108.800 0.004 0.000 2.195 334 G HA2 -0.265 3.696 3.960 0.002 0.000 0.246 334 G HA3 -0.265 3.696 3.960 0.002 0.000 0.246 334 G C 0.213 175.129 174.900 0.026 0.000 0.984 334 G CA 0.141 45.248 45.100 0.012 0.000 0.633 334 G HN 0.478 nan 8.290 nan 0.000 0.525 335 L N 0.451 121.689 121.223 0.025 0.000 2.418 335 L HA 0.573 4.914 4.340 0.002 0.000 0.265 335 L C 1.033 177.940 176.870 0.061 0.000 1.143 335 L CA -0.735 54.130 54.840 0.041 0.000 0.809 335 L CB 0.739 42.816 42.059 0.029 0.000 1.124 335 L HN 0.087 nan 8.230 nan 0.000 0.456 336 R N 2.898 123.452 120.500 0.090 0.000 2.255 336 R HA 0.611 4.952 4.340 0.002 0.000 0.326 336 R C -1.072 175.312 176.300 0.140 0.000 0.986 336 R CA -0.403 55.785 56.100 0.146 0.000 0.847 336 R CB 1.180 31.595 30.300 0.191 0.000 1.111 336 R HN 0.471 nan 8.270 nan 0.000 0.452 337 I N 2.874 123.546 120.570 0.171 0.000 2.466 337 I HA 0.273 4.444 4.170 0.002 0.000 0.289 337 I C -0.471 175.785 176.117 0.231 0.000 1.026 337 I CA -1.093 60.293 61.300 0.143 0.000 1.078 337 I CB 2.261 40.320 38.000 0.098 0.000 1.249 337 I HN 0.207 nan 8.210 nan 0.000 0.429 338 V N 7.251 127.254 119.914 0.148 0.000 2.370 338 V HA 0.396 4.517 4.120 0.002 0.000 0.279 338 V C -0.137 175.984 176.094 0.046 0.000 1.029 338 V CA -0.417 61.953 62.300 0.116 0.000 0.870 338 V CB 1.765 33.576 31.823 -0.021 0.000 0.984 338 V HN 0.492 nan 8.190 nan 0.000 0.451 339 L N 5.464 126.709 121.223 0.036 0.000 2.372 339 L HA 0.609 4.950 4.340 0.002 0.000 0.273 339 L C -0.446 176.284 176.870 -0.233 0.000 0.989 339 L CA -0.149 54.697 54.840 0.010 0.000 0.841 339 L CB 1.665 43.829 42.059 0.175 0.000 1.225 339 L HN 0.759 nan 8.230 nan 0.000 0.414 340 E N 4.228 124.282 120.200 -0.244 0.000 2.293 340 E HA 0.822 5.173 4.350 0.002 0.000 0.270 340 E C -1.839 174.602 176.600 -0.265 0.000 0.879 340 E CA -0.508 55.671 56.400 -0.368 0.000 0.756 340 E CB 2.667 32.233 29.700 -0.224 0.000 1.208 340 E HN 0.654 nan 8.360 nan 0.000 0.428 341 A N 2.391 125.008 122.820 -0.338 0.000 2.609 341 A HA 0.757 5.078 4.320 0.002 0.000 0.291 341 A C -0.717 176.809 177.584 -0.097 0.000 1.096 341 A CA -0.262 51.704 52.037 -0.117 0.000 0.684 341 A CB 1.623 20.600 19.000 -0.039 0.000 1.282 341 A HN 0.606 nan 8.150 nan 0.000 0.412 342 G N -0.380 108.432 108.800 0.019 0.000 2.400 342 G HA2 0.526 4.487 3.960 0.002 0.000 0.333 342 G HA3 0.526 4.487 3.960 0.002 0.000 0.333 342 G C 0.734 175.665 174.900 0.051 0.000 1.143 342 G CA -0.121 44.987 45.100 0.015 0.000 0.914 342 G HN 1.406 nan 8.290 nan 0.000 0.480 343 I N -0.982 119.617 120.570 0.048 0.000 3.001 343 I HA 0.172 4.343 4.170 0.002 0.000 0.268 343 I C 1.865 178.049 176.117 0.112 0.000 1.267 343 I CA 0.449 61.797 61.300 0.080 0.000 1.472 343 I CB 0.093 38.139 38.000 0.076 0.000 1.089 343 I HN 0.328 nan 8.210 nan 0.000 0.468 344 R N 1.727 122.306 120.500 0.131 0.000 2.334 344 R HA 0.149 4.490 4.340 0.002 0.000 0.216 344 R C -0.053 176.427 176.300 0.301 0.000 0.905 344 R CA 0.141 56.375 56.100 0.224 0.000 1.064 344 R CB 0.274 30.692 30.300 0.196 0.000 1.046 344 R HN 0.619 nan 8.270 nan 0.000 0.508 345 E N 0.025 120.338 120.200 0.188 0.000 2.751 345 E HA 0.284 4.635 4.350 0.002 0.000 0.219 345 E C -2.551 174.112 176.600 0.104 0.000 1.060 345 E CA -2.227 54.276 56.400 0.172 0.000 0.893 345 E CB 0.927 30.753 29.700 0.210 0.000 1.300 345 E HN -0.108 nan 8.360 nan 0.000 0.433 351 A N 2.022 124.356 122.820 -0.810 0.000 1.908 351 A HA -0.138 4.183 4.320 0.002 0.000 0.218 351 A C 1.728 179.070 177.584 -0.404 0.000 1.181 351 A CA 1.687 52.946 52.037 -1.297 0.000 0.627 351 A CB -0.538 17.778 19.000 -1.139 0.000 0.818 351 A HN 0.304 nan 8.150 nan 0.000 0.445 352 N N -0.641 118.013 118.700 -0.076 0.000 2.270 352 N HA -0.128 4.613 4.740 0.002 0.000 0.181 352 N C 1.932 177.563 175.510 0.202 0.000 1.016 352 N CA 1.317 54.462 53.050 0.159 0.000 0.870 352 N CB -0.187 38.487 38.487 0.312 0.000 0.979 352 N HN 0.669 nan 8.380 nan 0.000 0.431 353 Q N 0.793 120.682 119.800 0.149 0.000 2.079 353 Q HA 0.017 4.358 4.340 0.002 0.000 0.200 353 Q C 2.220 178.185 176.000 -0.058 0.000 0.974 353 Q CA 1.236 57.032 55.803 -0.013 0.000 0.840 353 Q CB -0.095 28.675 28.738 0.052 0.000 0.898 353 Q HN 0.320 nan 8.270 nan 0.000 0.430 354 A N 1.134 123.935 122.820 -0.031 0.000 1.883 354 A HA -0.211 4.110 4.320 0.002 0.000 0.217 354 A C 2.084 179.627 177.584 -0.068 0.000 1.186 354 A CA 1.414 53.442 52.037 -0.015 0.000 0.624 354 A CB -0.746 18.294 19.000 0.066 0.000 0.822 354 A HN 0.364 nan 8.150 nan 0.000 0.444 355 L N -1.748 119.409 121.223 -0.110 0.000 2.042 355 L HA -0.172 4.169 4.340 0.002 0.000 0.210 355 L C 2.325 179.123 176.870 -0.121 0.000 1.076 355 L CA 2.445 57.184 54.840 -0.167 0.000 0.749 355 L CB -0.818 41.020 42.059 -0.368 0.000 0.893 355 L HN 0.522 nan 8.230 nan 0.000 0.432 356 Y N 0.264 120.410 120.300 -0.256 0.000 2.242 356 Y HA -0.082 4.469 4.550 0.002 0.000 0.291 356 Y C 2.336 178.038 175.900 -0.329 0.000 1.137 356 Y CA 1.120 59.024 58.100 -0.326 0.000 1.181 356 Y CB -0.683 37.394 38.460 -0.639 0.000 0.989 356 Y HN 0.253 nan 8.280 nan 0.000 0.527 357 A N -0.123 122.469 122.820 -0.380 0.000 2.019 357 A HA -0.178 4.143 4.320 0.002 0.000 0.219 357 A C 1.935 179.299 177.584 -0.367 0.000 1.164 357 A CA 1.610 53.410 52.037 -0.395 0.000 0.644 357 A CB -0.418 18.448 19.000 -0.224 0.000 0.805 357 A HN 0.506 nan 8.150 nan 0.000 0.449 358 Q N -0.591 119.028 119.800 -0.302 0.000 2.432 358 Q HA 0.238 4.579 4.340 0.002 0.000 0.205 358 Q C 0.364 176.081 176.000 -0.472 0.000 0.945 358 Q CA 0.312 55.937 55.803 -0.297 0.000 0.924 358 Q CB -0.163 28.478 28.738 -0.161 0.000 1.016 358 Q HN 0.628 nan 8.270 nan 0.000 0.503 359 L N 0.289 121.218 121.223 -0.490 0.000 2.399 359 L HA 0.295 4.636 4.340 0.002 0.000 0.265 359 L C -0.407 176.066 176.870 -0.662 0.000 1.089 359 L CA -0.534 54.026 54.840 -0.466 0.000 0.802 359 L CB 0.755 42.694 42.059 -0.199 0.000 1.180 359 L HN 0.079 nan 8.230 nan 0.000 0.454 360 H N 0.743 119.735 119.070 -0.130 0.000 2.991 360 H HA 0.207 4.764 4.556 0.002 0.000 0.304 360 H C -1.992 173.281 175.328 -0.091 0.000 1.040 360 H CA -1.458 54.516 56.048 -0.122 0.000 1.410 360 H CB 1.269 30.974 29.762 -0.094 0.000 1.529 360 H HN 0.311 nan 8.280 nan 0.000 0.509 361 P HA -0.087 nan 4.420 nan 0.000 0.234 361 P C 0.988 178.282 177.300 -0.011 0.000 1.167 361 P CA 0.616 63.707 63.100 -0.015 0.000 0.763 361 P CB 0.329 32.014 31.700 -0.026 0.000 0.835 362 I N -1.227 119.346 120.570 0.004 0.000 3.226 362 I HA -0.004 4.167 4.170 0.002 0.000 0.277 362 I C 1.745 177.857 176.117 -0.008 0.000 1.243 362 I CA 1.142 62.436 61.300 -0.010 0.000 1.459 362 I CB 0.015 38.002 38.000 -0.021 0.000 1.093 362 I HN -0.236 nan 8.210 nan 0.000 0.453 363 K N 0.390 120.797 120.400 0.011 0.000 2.313 363 K HA 0.142 4.463 4.320 0.002 0.000 0.197 363 K C 0.164 176.770 176.600 0.010 0.000 1.061 363 K CA 0.382 56.673 56.287 0.007 0.000 0.980 363 K CB 0.564 33.076 32.500 0.021 0.000 0.888 363 K HN 0.303 nan 8.250 nan 0.000 0.502 364 E N 0.300 120.508 120.200 0.012 0.000 2.408 364 E HA 0.268 4.619 4.350 0.002 0.000 0.275 364 E C -1.239 175.349 176.600 -0.019 0.000 0.935 364 E CA -0.721 55.682 56.400 0.006 0.000 0.775 364 E CB 1.568 31.277 29.700 0.014 0.000 1.277 364 E HN -0.266 nan 8.360 nan 0.000 0.455 365 S N 1.352 117.035 115.700 -0.029 0.000 2.439 365 S HA 0.451 4.922 4.470 0.002 0.000 0.282 365 S C 0.107 174.602 174.600 -0.175 0.000 1.170 365 S CA -0.495 57.629 58.200 -0.127 0.000 1.054 365 S CB -0.259 62.891 63.200 -0.083 0.000 0.956 365 S HN 0.324 nan 8.310 nan 0.000 0.490 366 I N 3.411 123.817 120.570 -0.273 0.000 2.418 366 I HA 0.362 4.533 4.170 0.002 0.000 0.287 366 I C -1.165 174.758 176.117 -0.324 0.000 1.008 366 I CA -0.540 60.685 61.300 -0.126 0.000 1.104 366 I CB 1.178 39.243 38.000 0.109 0.000 1.264 366 I HN 0.487 nan 8.210 nan 0.000 0.438 367 F N 5.905 125.901 119.950 0.077 0.000 2.334 367 F HA 0.211 4.739 4.527 0.002 0.000 0.365 367 F C 0.002 175.821 175.800 0.033 0.000 1.124 367 F CA -0.465 57.564 58.000 0.047 0.000 1.166 367 F CB 0.529 39.530 39.000 0.002 0.000 1.355 367 F HN 0.521 nan 8.300 nan 0.000 0.532 368 W N 6.326 127.569 121.300 -0.095 0.000 2.322 368 W HA 0.454 5.115 4.660 0.002 0.000 0.307 368 W C -0.945 175.486 176.519 -0.147 0.000 1.220 368 W CA -0.832 56.348 57.345 -0.274 0.000 1.210 368 W CB 0.953 29.951 29.460 -0.770 0.000 1.223 368 W HN 0.356 nan 8.180 nan 0.000 0.511 369 R N 5.356 125.355 120.500 -0.834 0.000 2.473 369 R HA 0.151 4.492 4.340 0.002 0.000 0.303 369 R C -0.784 174.943 176.300 -0.955 0.000 1.002 369 R CA -0.833 54.881 56.100 -0.644 0.000 0.884 369 R CB 1.477 31.586 30.300 -0.317 0.000 1.173 369 R HN 0.620 nan 8.270 nan 0.000 0.464 370 Q N 2.735 122.090 119.800 -0.742 0.000 2.390 370 Q HA 0.342 4.683 4.340 0.002 0.000 0.249 370 Q C -0.109 175.777 176.000 -0.190 0.000 0.996 370 Q CA -0.549 55.009 55.803 -0.409 0.000 0.899 370 Q CB 1.127 29.840 28.738 -0.042 0.000 1.216 370 Q HN 0.537 nan 8.270 nan 0.000 0.465 371 V N 0.692 120.503 119.914 -0.172 0.000 2.834 371 V HA 0.433 4.554 4.120 0.002 0.000 0.313 371 V C -0.243 175.807 176.094 -0.073 0.000 1.060 371 V CA -0.967 61.264 62.300 -0.116 0.000 0.989 371 V CB 1.874 33.621 31.823 -0.127 0.000 1.041 371 V HN 0.669 nan 8.190 nan 0.000 0.459 372 D N 2.153 122.510 120.400 -0.072 0.000 2.453 372 D HA 0.630 5.271 4.640 0.002 0.000 0.223 372 D C 0.166 176.389 176.300 -0.128 0.000 1.183 372 D CA 1.204 55.170 54.000 -0.057 0.000 0.933 372 D CB 0.120 40.901 40.800 -0.031 0.000 1.038 372 D HN 1.239 nan 8.370 nan 0.000 0.513 373 G N 0.661 109.399 108.800 -0.104 0.000 2.342 373 G HA2 0.553 4.514 3.960 0.002 0.000 0.297 373 G HA3 0.553 4.514 3.960 0.002 0.000 0.297 373 G C -0.516 174.333 174.900 -0.085 0.000 1.313 373 G CA -0.227 44.764 45.100 -0.182 0.000 0.830 373 G HN 0.539 nan 8.290 nan 0.000 0.506 374 G N -1.951 106.772 108.800 -0.129 0.000 3.247 374 G HA2 0.485 4.446 3.960 0.002 0.000 0.226 374 G HA3 0.485 4.446 3.960 0.002 0.000 0.226 374 G C -1.079 173.750 174.900 -0.119 0.000 1.220 374 G CA -0.496 44.585 45.100 -0.032 0.000 0.875 374 G HN 0.833 nan 8.290 nan 0.000 0.606 375 H N 0.824 119.808 119.070 -0.144 0.000 2.982 375 H HA 0.508 5.065 4.556 0.002 0.000 0.261 375 H C -1.198 173.776 175.328 -0.590 0.000 1.603 375 H CA 0.042 55.984 56.048 -0.178 0.000 1.398 375 H CB -0.041 29.735 29.762 0.022 0.000 1.693 375 H HN 0.282 nan 8.280 nan 0.000 0.535 376 D N 2.346 121.860 120.400 -1.476 0.000 2.871 376 D HA 0.169 4.810 4.640 0.002 0.000 0.209 376 D C 0.440 175.836 176.300 -1.505 0.000 1.292 376 D CA -0.102 53.215 54.000 -1.139 0.000 0.869 376 D CB 1.243 41.696 40.800 -0.578 0.000 1.663 376 D HN 0.453 nan 8.370 nan 0.000 0.557 377 A N 3.182 125.436 122.820 -0.943 0.000 1.969 377 A HA -0.102 4.219 4.320 0.002 0.000 0.218 377 A C 1.932 179.259 177.584 -0.430 0.000 1.169 377 A CA 0.926 52.641 52.037 -0.538 0.000 0.635 377 A CB -0.249 18.430 19.000 -0.536 0.000 0.810 377 A HN 0.516 nan 8.150 nan 0.000 0.445 378 L N -0.159 120.785 121.223 -0.466 0.000 2.042 378 L HA -0.187 4.154 4.340 0.002 0.000 0.210 378 L C 2.632 179.250 176.870 -0.420 0.000 1.076 378 L CA 2.209 56.769 54.840 -0.468 0.000 0.749 378 L CB -0.933 40.982 42.059 -0.240 0.000 0.893 378 L HN 0.580 nan 8.230 nan 0.000 0.432 379 C N -0.903 118.141 119.300 -0.427 0.000 2.442 379 C HA -0.198 4.263 4.460 0.002 0.000 0.279 379 C C 2.616 177.489 174.990 -0.195 0.000 1.237 379 C CA 0.680 59.479 59.018 -0.365 0.000 1.722 379 C CB -1.463 26.017 27.740 -0.432 0.000 2.056 379 C HN 0.728 nan 8.230 nan 0.000 0.469 380 W N 2.230 123.419 121.300 -0.185 0.000 2.308 380 W HA -0.167 4.494 4.660 0.002 0.000 0.301 380 W C 2.776 179.206 176.519 -0.149 0.000 1.220 380 W CA 1.845 59.112 57.345 -0.130 0.000 1.240 380 W CB -1.334 28.109 29.460 -0.028 0.000 1.142 380 W HN 0.587 nan 8.180 nan 0.000 0.521 381 R N 0.386 120.909 120.500 0.039 0.000 2.152 381 R HA -0.043 4.298 4.340 0.002 0.000 0.232 381 R C 2.267 178.488 176.300 -0.131 0.000 1.117 381 R CA 1.818 57.813 56.100 -0.175 0.000 0.981 381 R CB -1.302 28.556 30.300 -0.737 0.000 0.870 381 R HN 0.098 nan 8.270 nan 0.000 0.451 382 G N 0.423 109.118 108.800 -0.175 0.000 2.408 382 G HA2 -0.100 3.861 3.960 0.002 0.000 0.215 382 G HA3 -0.100 3.861 3.960 0.002 0.000 0.215 382 G C 1.513 176.401 174.900 -0.021 0.000 1.156 382 G CA 0.417 45.493 45.100 -0.041 0.000 0.793 382 G HN 0.464 nan 8.290 nan 0.000 0.535 383 G N 0.175 108.945 108.800 -0.051 0.000 2.448 383 G HA2 0.133 4.094 3.960 0.002 0.000 0.218 383 G HA3 0.133 4.094 3.960 0.002 0.000 0.218 383 G C 0.914 175.747 174.900 -0.112 0.000 1.135 383 G CA 0.336 45.392 45.100 -0.073 0.000 0.784 383 G HN 0.397 nan 8.290 nan 0.000 0.543 387 G N 1.624 110.317 108.800 -0.178 0.000 2.421 387 G HA2 -0.175 3.786 3.960 0.002 0.000 0.216 387 G HA3 -0.175 3.786 3.960 0.002 0.000 0.216 387 G C 1.182 175.900 174.900 -0.303 0.000 1.171 387 G CA 1.202 46.159 45.100 -0.238 0.000 0.775 387 G HN 0.276 nan 8.290 nan 0.000 0.543 388 L N 0.129 121.180 121.223 -0.286 0.000 2.046 388 L HA -0.018 4.323 4.340 0.002 0.000 0.208 388 L C 2.873 179.629 176.870 -0.190 0.000 1.077 388 L CA 0.658 55.254 54.840 -0.407 0.000 0.747 388 L CB -0.397 41.485 42.059 -0.295 0.000 0.896 388 L HN 0.192 nan 8.230 nan 0.000 0.432 389 I N -0.093 120.445 120.570 -0.053 0.000 2.118 389 I HA -0.345 3.826 4.170 0.002 0.000 0.241 389 I C 2.211 178.285 176.117 -0.072 0.000 1.070 389 I CA 1.413 62.727 61.300 0.023 0.000 1.327 389 I CB -0.507 37.478 38.000 -0.025 0.000 1.034 389 I HN 0.308 nan 8.210 nan 0.000 0.405 390 D N 0.865 121.096 120.400 -0.281 0.000 2.104 390 D HA -0.155 4.486 4.640 0.002 0.000 0.194 390 D C 2.331 178.316 176.300 -0.525 0.000 0.994 390 D CA 1.387 55.024 54.000 -0.605 0.000 0.830 390 D CB -0.338 39.803 40.800 -1.097 0.000 0.959 390 D HN 0.313 nan 8.370 nan 0.000 0.452 391 L N -0.764 120.219 121.223 -0.400 0.000 2.141 391 L HA -0.107 4.234 4.340 0.002 0.000 0.209 391 L C 1.901 178.766 176.870 -0.008 0.000 1.094 391 L CA 0.583 55.285 54.840 -0.229 0.000 0.763 391 L CB -0.122 41.718 42.059 -0.365 0.000 0.908 391 L HN 0.139 nan 8.230 nan 0.000 0.437 392 W N -0.363 120.934 121.300 -0.004 0.000 3.278 392 W HA 0.112 4.773 4.660 0.002 0.000 0.308 392 W C 2.194 178.782 176.519 0.115 0.000 1.253 392 W CA -0.332 57.040 57.345 0.045 0.000 1.759 392 W CB -0.243 29.254 29.460 0.061 0.000 1.093 392 W HN 0.216 nan 8.180 nan 0.000 0.648 393 Q N 1.409 121.390 119.800 0.301 0.000 2.152 393 Q HA -0.163 4.178 4.340 0.002 0.000 0.206 393 Q C -0.646 175.516 176.000 0.270 0.000 0.985 393 Q CA 2.110 58.089 55.803 0.293 0.000 0.863 393 Q CB -1.210 27.621 28.738 0.155 0.000 0.904 393 Q HN 0.050 nan 8.270 nan 0.000 0.422 394 P HA -0.098 nan 4.420 nan 0.000 0.223 394 P C 0.483 177.826 177.300 0.072 0.000 1.151 394 P CA 0.914 64.100 63.100 0.143 0.000 0.787 394 P CB -0.067 31.713 31.700 0.132 0.000 0.788 395 L N -3.188 118.042 121.223 0.012 0.000 2.275 395 L HA -0.045 4.296 4.340 0.002 0.000 0.215 395 L C 1.003 177.671 176.870 -0.338 0.000 1.119 395 L CA 0.850 55.568 54.840 -0.202 0.000 0.790 395 L CB -0.790 41.043 42.059 -0.376 0.000 0.919 395 L HN -0.053 nan 8.230 nan 0.000 0.443 396 F N 0.000 119.969 119.950 0.031 0.000 2.286 396 F HA 0.000 4.528 4.527 0.002 0.000 0.279 396 F CA 0.000 58.016 58.000 0.026 0.000 1.383 396 F CB 0.000 39.020 39.000 0.034 0.000 1.145 396 F HN 0.000 nan 8.300 nan 0.000 0.574