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 1wbo_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPPL DATA SEQUENCE D 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 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.630 176.600 0.051 0.000 1.382 4 E CA 0.000 56.420 56.400 0.034 0.000 0.976 4 E CB 0.000 29.719 29.700 0.031 0.000 0.812 5 R N 3.127 123.672 120.500 0.075 0.000 2.489 5 R HA 0.189 4.533 4.340 0.007 0.000 0.287 5 R C -2.016 174.353 176.300 0.116 0.000 1.053 5 R CA -0.898 55.276 56.100 0.123 0.000 1.036 5 R CB 0.464 30.853 30.300 0.149 0.000 0.966 5 R HN 0.027 nan 8.270 nan 0.000 0.432 6 P HA 0.107 nan 4.420 nan 0.000 0.274 6 P C -0.858 176.500 177.300 0.097 0.000 1.256 6 P CA -0.372 62.727 63.100 -0.001 0.000 0.795 6 P CB 0.687 32.273 31.700 -0.189 0.000 1.038 7 T N 1.241 115.812 114.554 0.028 0.000 2.817 7 T HA 0.385 4.739 4.350 0.007 0.000 0.293 7 T C -0.151 174.592 174.700 0.071 0.000 0.964 7 T CA 0.251 62.424 62.100 0.122 0.000 1.085 7 T CB -0.235 68.671 68.868 0.064 0.000 0.921 7 T HN 0.121 nan 8.240 nan 0.000 0.502 8 F N 2.683 122.660 119.950 0.043 0.000 2.470 8 F HA 0.591 5.121 4.527 0.005 0.000 0.329 8 F C -0.024 175.874 175.800 0.162 0.000 1.072 8 F CA -1.096 56.932 58.000 0.047 0.000 0.989 8 F CB 1.153 40.150 39.000 -0.006 0.000 1.193 8 F HN 0.558 nan 8.300 nan 0.000 0.481 9 Y N -0.675 119.712 120.300 0.144 0.000 2.545 9 Y HA 0.818 5.370 4.550 0.004 0.000 0.348 9 Y C -1.030 174.960 175.900 0.149 0.000 1.002 9 Y CA -1.960 56.212 58.100 0.119 0.000 1.039 9 Y CB 1.144 39.643 38.460 0.064 0.000 1.271 9 Y HN 0.496 nan 8.280 nan 0.000 0.467 10 R N 2.137 122.728 120.500 0.152 0.000 2.604 10 R HA 0.572 4.916 4.340 0.007 0.000 0.287 10 R C -1.134 175.237 176.300 0.119 0.000 0.970 10 R CA -1.015 55.138 56.100 0.089 0.000 0.946 10 R CB 2.005 32.377 30.300 0.119 0.000 1.127 10 R HN 0.942 nan 8.270 nan 0.000 0.473 11 Q N 0.305 120.176 119.800 0.118 0.000 2.472 11 Q HA 0.275 4.619 4.340 0.007 0.000 0.281 11 Q C -1.625 174.490 176.000 0.192 0.000 0.997 11 Q CA -0.991 54.899 55.803 0.146 0.000 0.828 11 Q CB 2.053 30.873 28.738 0.135 0.000 1.443 11 Q HN 0.592 nan 8.270 nan 0.000 0.390 12 E N 2.587 122.885 120.200 0.163 0.000 2.156 12 E HA 0.509 4.863 4.350 0.007 0.000 0.279 12 E C -1.425 175.280 176.600 0.174 0.000 0.965 12 E CA -0.576 55.934 56.400 0.183 0.000 0.789 12 E CB 0.987 30.760 29.700 0.123 0.000 1.098 12 E HN 0.567 nan 8.360 nan 0.000 0.397 13 L N 4.704 126.076 121.223 0.249 0.000 2.376 13 L HA 0.379 4.723 4.340 0.007 0.000 0.275 13 L C -0.548 176.430 176.870 0.181 0.000 0.987 13 L CA -1.109 53.824 54.840 0.154 0.000 0.828 13 L CB 1.544 43.618 42.059 0.024 0.000 1.249 13 L HN 0.650 nan 8.230 nan 0.000 0.409 14 N N 3.809 122.575 118.700 0.109 0.000 2.667 14 N HA -0.216 4.528 4.740 0.007 0.000 0.263 14 N C 0.047 175.617 175.510 0.100 0.000 1.038 14 N CA 0.860 53.965 53.050 0.092 0.000 0.749 14 N CB -0.784 37.753 38.487 0.084 0.000 0.892 14 N HN 0.736 nan 8.380 nan 0.000 0.546 15 K N -2.997 117.457 120.400 0.090 0.000 3.209 15 K HA -0.212 4.112 4.320 0.007 0.000 0.289 15 K C -0.648 175.995 176.600 0.072 0.000 1.191 15 K CA 1.415 57.744 56.287 0.070 0.000 0.851 15 K CB -1.548 30.979 32.500 0.046 0.000 1.242 15 K HN 0.487 nan 8.250 nan 0.000 0.480 16 T N 1.258 115.885 114.554 0.122 0.000 2.841 16 T HA 0.415 4.769 4.350 0.007 0.000 0.285 16 T C 0.033 174.814 174.700 0.134 0.000 0.991 16 T CA -0.800 61.346 62.100 0.077 0.000 0.966 16 T CB 1.347 70.269 68.868 0.090 0.000 0.962 16 T HN 0.014 nan 8.240 nan 0.000 0.438 17 I N 2.926 123.520 120.570 0.040 0.000 2.533 17 I HA 0.174 4.348 4.170 0.007 0.000 0.284 17 I C -0.493 175.643 176.117 0.032 0.000 1.109 17 I CA -0.593 60.763 61.300 0.094 0.000 1.412 17 I CB 0.048 38.085 38.000 0.062 0.000 1.396 17 I HN 0.676 nan 8.210 nan 0.000 0.543 18 W N 5.363 126.731 121.300 0.113 0.000 2.361 18 W HA 0.441 5.105 4.660 0.007 0.000 0.314 18 W C 0.369 176.917 176.519 0.049 0.000 1.041 18 W CA -0.535 56.909 57.345 0.166 0.000 1.241 18 W CB 0.990 30.505 29.460 0.092 0.000 1.279 18 W HN 0.445 nan 8.180 nan 0.000 0.436 19 E N 3.562 123.915 120.200 0.255 0.000 2.141 19 E HA 0.492 4.846 4.350 0.007 0.000 0.259 19 E C -1.116 175.537 176.600 0.089 0.000 0.883 19 E CA -0.568 55.918 56.400 0.143 0.000 0.744 19 E CB 1.008 30.822 29.700 0.189 0.000 1.150 19 E HN 0.354 nan 8.360 nan 0.000 0.420 20 V N 1.361 121.215 119.914 -0.101 0.000 3.040 20 V HA 0.715 4.839 4.120 0.007 0.000 0.312 20 V C -2.781 172.925 176.094 -0.645 0.000 1.115 20 V CA -2.905 59.144 62.300 -0.418 0.000 0.998 20 V CB 1.566 33.239 31.823 -0.249 0.000 1.042 20 V HN 0.495 nan 8.190 nan 0.000 0.433 21 P HA 0.162 nan 4.420 nan 0.000 0.266 21 P C 0.642 177.802 177.300 -0.234 0.000 1.195 21 P CA 0.277 62.864 63.100 -0.855 0.000 0.768 21 P CB 0.367 31.548 31.700 -0.865 0.000 0.838 22 E N 2.980 123.126 120.200 -0.091 0.000 2.233 22 E HA -0.290 4.064 4.350 0.007 0.000 0.199 22 E C 1.801 178.345 176.600 -0.093 0.000 1.004 22 E CA 1.076 57.480 56.400 0.007 0.000 0.819 22 E CB -0.275 29.366 29.700 -0.099 0.000 0.738 22 E HN 0.544 nan 8.360 nan 0.000 0.478 23 R N 0.700 121.034 120.500 -0.276 0.000 2.159 23 R HA -0.145 4.199 4.340 0.007 0.000 0.237 23 R C 0.139 176.184 176.300 -0.424 0.000 1.131 23 R CA 0.972 56.827 56.100 -0.408 0.000 0.982 23 R CB -0.522 29.407 30.300 -0.618 0.000 0.868 23 R HN 0.110 nan 8.270 nan 0.000 0.453 24 Y N 1.841 122.123 120.300 -0.030 0.000 2.350 24 Y HA 0.343 4.896 4.550 0.005 0.000 0.340 24 Y C 0.320 176.299 175.900 0.132 0.000 1.006 24 Y CA -0.655 57.454 58.100 0.015 0.000 1.166 24 Y CB 1.043 39.490 38.460 -0.022 0.000 1.168 24 Y HN -0.004 nan 8.280 nan 0.000 0.502 25 Q N 1.567 121.524 119.800 0.261 0.000 2.484 25 Q HA 0.350 4.694 4.340 0.007 0.000 0.285 25 Q C -0.448 175.665 176.000 0.189 0.000 1.097 25 Q CA -1.003 54.933 55.803 0.221 0.000 0.802 25 Q CB 1.937 30.770 28.738 0.158 0.000 1.444 25 Q HN 0.719 nan 8.270 nan 0.000 0.429 26 N N 0.173 118.952 118.700 0.131 0.000 2.727 26 N HA -0.185 4.559 4.740 0.007 0.000 0.251 26 N C -0.990 174.544 175.510 0.039 0.000 1.040 26 N CA 0.353 53.447 53.050 0.073 0.000 0.712 26 N CB -1.444 37.080 38.487 0.061 0.000 0.912 26 N HN 0.364 nan 8.380 nan 0.000 0.545 27 L N 0.192 121.420 121.223 0.009 0.000 2.462 27 L HA 0.237 4.581 4.340 0.007 0.000 0.272 27 L C 0.911 177.696 176.870 -0.141 0.000 1.166 27 L CA 0.743 55.512 54.840 -0.119 0.000 0.880 27 L CB 1.070 42.981 42.059 -0.248 0.000 1.142 27 L HN 0.262 nan 8.230 nan 0.000 0.473 28 S N 4.930 120.537 115.700 -0.155 0.000 2.707 28 S HA 0.610 5.084 4.470 0.007 0.000 0.303 28 S C -2.626 171.886 174.600 -0.146 0.000 1.132 28 S CA -1.472 56.656 58.200 -0.119 0.000 1.046 28 S CB 1.207 64.373 63.200 -0.058 0.000 1.004 28 S HN 0.273 nan 8.310 nan 0.000 0.483 29 P HA 0.050 nan 4.420 nan 0.000 0.262 29 P C 0.101 177.374 177.300 -0.045 0.000 1.182 29 P CA 0.026 63.072 63.100 -0.089 0.000 0.761 29 P CB 0.707 32.387 31.700 -0.032 0.000 0.795 30 V N 1.973 121.871 119.914 -0.027 0.000 3.604 30 V HA 0.467 4.591 4.120 0.007 0.000 0.277 30 V C 0.833 176.927 176.094 0.000 0.000 1.399 30 V CA 0.939 63.232 62.300 -0.012 0.000 1.034 30 V CB 0.151 31.967 31.823 -0.012 0.000 0.824 30 V HN 0.897 nan 8.190 nan 0.000 0.439 31 G N -0.420 108.388 108.800 0.013 0.000 2.337 31 G HA2 0.443 4.407 3.960 0.007 0.000 0.298 31 G HA3 0.443 4.407 3.960 0.007 0.000 0.298 31 G C -1.098 173.808 174.900 0.009 0.000 1.335 31 G CA 0.273 45.375 45.100 0.004 0.000 0.875 31 G HN 0.530 nan 8.290 nan 0.000 0.579 32 S N -1.216 114.462 115.700 -0.037 0.000 2.602 32 S HA 0.730 5.204 4.470 0.007 0.000 0.301 32 S C 0.400 174.889 174.600 -0.184 0.000 1.091 32 S CA 1.056 59.207 58.200 -0.083 0.000 0.895 32 S CB 0.812 63.985 63.200 -0.045 0.000 1.090 32 S HN 2.831 nan 8.310 nan 0.000 0.449 33 G N 2.794 111.399 108.800 -0.324 0.000 4.332 33 G HA2 0.238 4.202 3.960 0.007 0.000 0.198 33 G HA3 0.238 4.202 3.960 0.007 0.000 0.198 33 G C 0.487 175.073 174.900 -0.524 0.000 1.460 33 G CA 0.165 44.963 45.100 -0.502 0.000 0.900 33 G HN 1.831 nan 8.290 nan 0.000 0.325 34 A N 1.131 123.807 122.820 -0.241 0.000 3.017 34 A HA 0.474 4.798 4.320 0.007 0.000 0.283 34 A C 0.252 177.784 177.584 -0.087 0.000 1.892 34 A CA -0.068 51.896 52.037 -0.123 0.000 1.469 34 A CB -1.553 17.405 19.000 -0.070 0.000 0.999 34 A HN 0.691 nan 8.150 nan 0.000 0.605 35 Y N 0.400 120.663 120.300 -0.062 0.000 2.922 35 Y HA 0.068 4.622 4.550 0.007 0.000 0.374 35 Y C 1.388 177.225 175.900 -0.105 0.000 1.255 35 Y CA 2.021 60.074 58.100 -0.078 0.000 1.624 35 Y CB 0.029 38.443 38.460 -0.077 0.000 1.122 35 Y HN 1.084 nan 8.280 nan 0.000 0.552 36 G N 2.124 110.904 108.800 -0.033 0.000 2.397 36 G HA2 0.166 4.130 3.960 0.007 0.000 0.453 36 G HA3 0.166 4.130 3.960 0.007 0.000 0.453 36 G C -1.281 173.574 174.900 -0.075 0.000 1.579 36 G CA -1.003 44.044 45.100 -0.088 0.000 0.906 36 G HN 0.515 nan 8.290 nan 0.000 0.675 37 S N -0.513 115.155 115.700 -0.054 0.000 2.585 37 S HA 0.754 5.228 4.470 0.007 0.000 0.277 37 S C 0.289 175.051 174.600 0.270 0.000 1.241 37 S CA -0.682 57.583 58.200 0.109 0.000 1.041 37 S CB 1.869 65.188 63.200 0.198 0.000 0.987 37 S HN 1.018 nan 8.310 nan 0.000 0.512 38 V N 2.037 122.107 119.914 0.259 0.000 2.540 38 V HA 0.416 4.540 4.120 0.007 0.000 0.302 38 V C -0.362 175.792 176.094 0.100 0.000 1.035 38 V CA -0.682 61.749 62.300 0.219 0.000 0.873 38 V CB 1.341 33.215 31.823 0.085 0.000 0.992 38 V HN 1.003 nan 8.190 nan 0.000 0.428 39 C N 3.653 122.912 119.300 -0.067 0.000 2.456 39 C HA 0.850 5.314 4.460 0.007 0.000 0.325 39 C C 0.825 175.729 174.990 -0.143 0.000 1.217 39 C CA -0.756 58.096 59.018 -0.277 0.000 1.687 39 C CB 1.249 28.550 27.740 -0.732 0.000 2.270 39 C HN 1.010 nan 8.230 nan 0.000 0.499 40 A N 2.136 124.895 122.820 -0.102 0.000 2.340 40 A HA 0.823 5.147 4.320 0.007 0.000 0.268 40 A C 0.052 177.611 177.584 -0.042 0.000 1.100 40 A CA 0.225 52.236 52.037 -0.043 0.000 0.803 40 A CB 0.341 19.333 19.000 -0.013 0.000 1.043 40 A HN 1.558 nan 8.150 nan 0.000 0.488 41 A N 0.631 123.463 122.820 0.020 0.000 2.581 41 A HA 0.681 5.005 4.320 0.007 0.000 0.290 41 A C -1.438 176.253 177.584 0.178 0.000 1.119 41 A CA -0.473 51.615 52.037 0.086 0.000 0.670 41 A CB 0.680 19.726 19.000 0.077 0.000 1.280 41 A HN 1.429 nan 8.150 nan 0.000 0.425 42 F N 1.317 121.314 119.950 0.077 0.000 2.411 42 F HA 0.545 5.076 4.527 0.007 0.000 0.352 42 F C -0.330 175.531 175.800 0.102 0.000 1.123 42 F CA -0.663 57.379 58.000 0.070 0.000 1.044 42 F CB 1.317 40.336 39.000 0.033 0.000 1.135 42 F HN 0.536 nan 8.300 nan 0.000 0.461 43 D N 3.973 124.048 120.400 -0.542 0.000 2.411 43 D HA 0.104 4.748 4.640 0.007 0.000 0.225 43 D C 1.197 177.109 176.300 -0.647 0.000 1.156 43 D CA 0.007 53.767 54.000 -0.399 0.000 0.874 43 D CB 1.153 41.855 40.800 -0.163 0.000 1.034 43 D HN 0.668 nan 8.370 nan 0.000 0.502 44 T N 1.185 115.518 114.554 -0.368 0.000 2.962 44 T HA -0.128 4.226 4.350 0.007 0.000 0.270 44 T C 1.555 176.155 174.700 -0.166 0.000 1.088 44 T CA 0.875 62.882 62.100 -0.156 0.000 1.127 44 T CB -0.011 68.850 68.868 -0.011 0.000 0.883 44 T HN 0.297 nan 8.240 nan 0.000 0.493 45 K N 0.950 121.212 120.400 -0.231 0.000 2.167 45 K HA -0.007 4.317 4.320 0.007 0.000 0.203 45 K C 2.544 179.064 176.600 -0.133 0.000 1.052 45 K CA 1.639 57.825 56.287 -0.167 0.000 0.956 45 K CB -0.062 32.327 32.500 -0.185 0.000 0.735 45 K HN 0.643 nan 8.250 nan 0.000 0.451 46 T N -3.948 110.503 114.554 -0.173 0.000 3.022 46 T HA 0.183 4.537 4.350 0.007 0.000 0.250 46 T C 1.354 175.975 174.700 -0.131 0.000 1.060 46 T CA 0.411 62.438 62.100 -0.123 0.000 1.013 46 T CB 0.710 69.514 68.868 -0.106 0.000 0.982 46 T HN 0.269 nan 8.240 nan 0.000 0.508 47 G N 1.515 110.169 108.800 -0.244 0.000 2.155 47 G HA2 -0.212 3.752 3.960 0.007 0.000 0.257 47 G HA3 -0.212 3.752 3.960 0.007 0.000 0.257 47 G C -0.106 174.648 174.900 -0.242 0.000 0.983 47 G CA 0.403 45.385 45.100 -0.198 0.000 0.676 47 G HN 0.648 nan 8.290 nan 0.000 0.528 48 L N -0.226 120.796 121.223 -0.336 0.000 2.344 48 L HA 0.596 4.940 4.340 0.007 0.000 0.272 48 L C 1.119 177.878 176.870 -0.185 0.000 1.035 48 L CA -1.179 53.569 54.840 -0.154 0.000 0.807 48 L CB 1.070 43.069 42.059 -0.099 0.000 1.237 48 L HN 0.033 nan 8.230 nan 0.000 0.442 49 R N 1.576 122.099 120.500 0.038 0.000 2.389 49 R HA 0.426 4.770 4.340 0.007 0.000 0.295 49 R C -0.621 175.704 176.300 0.042 0.000 1.075 49 R CA -0.315 55.841 56.100 0.094 0.000 1.005 49 R CB 1.001 31.387 30.300 0.144 0.000 0.987 49 R HN 0.508 nan 8.270 nan 0.000 0.452 50 V N -1.017 118.914 119.914 0.028 0.000 3.102 50 V HA 0.890 5.014 4.120 0.007 0.000 0.312 50 V C -0.595 175.500 176.094 0.001 0.000 1.135 50 V CA -1.243 61.056 62.300 -0.002 0.000 1.022 50 V CB 2.063 33.874 31.823 -0.021 0.000 1.056 50 V HN 0.784 nan 8.190 nan 0.000 0.436 51 A N 2.033 124.849 122.820 -0.006 0.000 2.303 51 A HA 0.834 5.158 4.320 0.007 0.000 0.320 51 A C -0.620 176.951 177.584 -0.020 0.000 1.192 51 A CA -0.636 51.399 52.037 -0.004 0.000 0.821 51 A CB 1.286 20.297 19.000 0.018 0.000 1.188 51 A HN 1.359 nan 8.150 nan 0.000 0.492 52 V N 3.110 123.022 119.914 -0.004 0.000 2.357 52 V HA 0.384 4.508 4.120 0.007 0.000 0.284 52 V C 0.131 176.364 176.094 0.231 0.000 1.018 52 V CA -0.569 61.766 62.300 0.060 0.000 0.841 52 V CB 1.260 33.122 31.823 0.065 0.000 0.991 52 V HN 0.895 nan 8.190 nan 0.000 0.437 53 K N 4.710 125.196 120.400 0.142 0.000 2.265 53 K HA 0.438 4.761 4.320 0.007 0.000 0.267 53 K C -0.309 176.259 176.600 -0.053 0.000 0.994 53 K CA -0.639 55.710 56.287 0.102 0.000 0.860 53 K CB 1.023 33.524 32.500 0.001 0.000 1.099 53 K HN 0.630 nan 8.250 nan 0.000 0.448 54 K N 6.147 126.413 120.400 -0.224 0.000 2.248 54 K HA 0.210 4.534 4.320 0.007 0.000 0.281 54 K C -0.571 175.726 176.600 -0.504 0.000 1.054 54 K CA -0.527 55.316 56.287 -0.741 0.000 0.903 54 K CB 0.580 32.313 32.500 -1.278 0.000 1.077 54 K HN 0.617 nan 8.250 nan 0.000 0.474 55 L N 3.080 124.013 121.223 -0.483 0.000 2.426 55 L HA 0.104 4.448 4.340 0.007 0.000 0.271 55 L C 0.111 176.777 176.870 -0.341 0.000 1.169 55 L CA -0.238 54.399 54.840 -0.339 0.000 0.836 55 L CB 1.353 43.215 42.059 -0.328 0.000 1.112 55 L HN 0.659 nan 8.230 nan 0.000 0.465 56 S N 3.438 119.009 115.700 -0.214 0.000 2.439 56 S HA 0.304 4.778 4.470 0.007 0.000 0.282 56 S C 0.099 174.551 174.600 -0.248 0.000 1.170 56 S CA -0.632 57.465 58.200 -0.171 0.000 1.054 56 S CB 0.588 63.819 63.200 0.053 0.000 0.956 56 S HN 0.580 nan 8.310 nan 0.000 0.490 57 R N 1.330 121.654 120.500 -0.294 0.000 3.146 57 R HA -0.120 4.224 4.340 0.007 0.000 0.250 57 R C -2.136 173.929 176.300 -0.392 0.000 0.912 57 R CA 0.285 56.190 56.100 -0.326 0.000 0.633 57 R CB -1.268 28.824 30.300 -0.346 0.000 1.180 57 R HN 0.504 nan 8.270 nan 0.000 0.464 58 P HA -0.105 nan 4.420 nan 0.000 0.225 58 P C 0.252 177.095 177.300 -0.761 0.000 1.156 58 P CA 1.284 63.924 63.100 -0.767 0.000 0.787 58 P CB 0.213 31.201 31.700 -1.187 0.000 0.802 59 F N -0.819 119.066 119.950 -0.109 0.000 2.835 59 F HA 0.370 4.901 4.527 0.006 0.000 0.342 59 F C 2.002 177.763 175.800 -0.065 0.000 1.202 59 F CA -0.799 57.166 58.000 -0.059 0.000 1.240 59 F CB -0.629 38.319 39.000 -0.086 0.000 1.005 59 F HN -0.147 nan 8.300 nan 0.000 0.507 60 Q N 1.165 120.952 119.800 -0.021 0.000 2.230 60 Q HA -0.012 4.332 4.340 0.007 0.000 0.202 60 Q C 0.582 176.582 176.000 -0.000 0.000 0.963 60 Q CA 1.157 56.909 55.803 -0.085 0.000 0.866 60 Q CB 0.429 28.988 28.738 -0.298 0.000 0.931 60 Q HN 0.428 nan 8.270 nan 0.000 0.452 61 S N -2.645 113.114 115.700 0.099 0.000 2.656 61 S HA 0.297 4.771 4.470 0.007 0.000 0.273 61 S C 0.622 175.318 174.600 0.159 0.000 1.168 61 S CA -0.837 57.444 58.200 0.136 0.000 0.817 61 S CB 0.074 63.380 63.200 0.178 0.000 1.146 61 S HN 0.187 nan 8.310 nan 0.000 0.475 62 I N 0.941 121.595 120.570 0.139 0.000 2.163 62 I HA -0.165 4.009 4.170 0.007 0.000 0.243 62 I C 2.204 178.346 176.117 0.041 0.000 1.085 62 I CA 1.489 62.889 61.300 0.166 0.000 1.347 62 I CB -0.418 37.692 38.000 0.183 0.000 1.044 62 I HN 0.610 nan 8.210 nan 0.000 0.408 63 I N -0.022 120.544 120.570 -0.006 0.000 2.163 63 I HA -0.360 3.814 4.170 0.007 0.000 0.243 63 I C 2.632 178.625 176.117 -0.207 0.000 1.085 63 I CA 1.516 62.734 61.300 -0.137 0.000 1.347 63 I CB -0.621 37.267 38.000 -0.187 0.000 1.044 63 I HN 0.337 nan 8.210 nan 0.000 0.408 64 H N 0.214 119.236 119.070 -0.080 0.000 2.389 64 H HA -0.030 4.531 4.556 0.007 0.000 0.299 64 H C 2.326 177.594 175.328 -0.099 0.000 1.081 64 H CA 1.469 57.453 56.048 -0.106 0.000 1.345 64 H CB -0.049 29.642 29.762 -0.119 0.000 1.393 64 H HN 0.364 nan 8.280 nan 0.000 0.520 65 A N 1.343 124.224 122.820 0.102 0.000 1.898 65 A HA -0.167 4.157 4.320 0.007 0.000 0.216 65 A C 2.400 179.954 177.584 -0.051 0.000 1.181 65 A CA 1.580 53.742 52.037 0.209 0.000 0.620 65 A CB -0.335 18.907 19.000 0.403 0.000 0.819 65 A HN 0.291 nan 8.150 nan 0.000 0.442 66 K N -0.449 119.673 120.400 -0.463 0.000 2.057 66 K HA -0.145 4.179 4.320 0.007 0.000 0.206 66 K C 2.345 178.739 176.600 -0.343 0.000 1.050 66 K CA 1.280 57.032 56.287 -0.891 0.000 0.935 66 K CB -0.210 31.639 32.500 -1.085 0.000 0.715 66 K HN 0.423 nan 8.250 nan 0.000 0.439 67 R N 0.147 120.518 120.500 -0.215 0.000 2.091 67 R HA -0.129 4.215 4.340 0.007 0.000 0.238 67 R C 1.857 178.111 176.300 -0.077 0.000 1.136 67 R CA 2.145 58.171 56.100 -0.123 0.000 0.959 67 R CB -0.422 29.793 30.300 -0.141 0.000 0.856 67 R HN 0.221 nan 8.270 nan 0.000 0.437 68 T N 0.148 114.665 114.554 -0.062 0.000 2.684 68 T HA -0.217 4.137 4.350 0.007 0.000 0.267 68 T C 1.388 176.113 174.700 0.041 0.000 1.036 68 T CA 1.671 63.747 62.100 -0.039 0.000 1.148 68 T CB -0.514 68.290 68.868 -0.105 0.000 0.863 68 T HN 0.381 nan 8.240 nan 0.000 0.436 69 Y N 2.165 122.434 120.300 -0.053 0.000 2.145 69 Y HA -0.118 4.436 4.550 0.006 0.000 0.286 69 Y C 2.694 178.482 175.900 -0.187 0.000 1.145 69 Y CA 1.526 59.574 58.100 -0.086 0.000 1.148 69 Y CB -0.310 38.080 38.460 -0.117 0.000 0.981 69 Y HN -0.006 nan 8.280 nan 0.000 0.507 70 R N 0.465 120.863 120.500 -0.169 0.000 2.073 70 R HA -0.227 4.116 4.340 0.007 0.000 0.234 70 R C 2.359 178.600 176.300 -0.097 0.000 1.134 70 R CA 2.011 58.060 56.100 -0.086 0.000 0.952 70 R CB -0.500 29.883 30.300 0.139 0.000 0.850 70 R HN 0.567 nan 8.270 nan 0.000 0.433 71 E N 0.160 120.306 120.200 -0.090 0.000 2.051 71 E HA -0.224 4.130 4.350 0.007 0.000 0.192 71 E C 2.034 178.565 176.600 -0.116 0.000 0.991 71 E CA 1.252 57.597 56.400 -0.093 0.000 0.799 71 E CB -0.106 29.550 29.700 -0.074 0.000 0.748 71 E HN 0.283 nan 8.360 nan 0.000 0.449 72 L N 1.432 122.580 121.223 -0.124 0.000 2.012 72 L HA -0.185 4.159 4.340 0.007 0.000 0.210 72 L C 2.373 179.166 176.870 -0.130 0.000 1.073 72 L CA 1.713 56.486 54.840 -0.111 0.000 0.748 72 L CB -0.501 41.519 42.059 -0.066 0.000 0.891 72 L HN 0.058 nan 8.230 nan 0.000 0.431 73 R N -0.646 119.697 120.500 -0.262 0.000 2.091 73 R HA -0.171 4.173 4.340 0.007 0.000 0.238 73 R C 2.234 178.544 176.300 0.017 0.000 1.136 73 R CA 1.808 57.805 56.100 -0.171 0.000 0.959 73 R CB -1.278 28.792 30.300 -0.382 0.000 0.856 73 R HN 0.389 nan 8.270 nan 0.000 0.437 74 L N 0.902 122.082 121.223 -0.071 0.000 2.005 74 L HA -0.108 4.236 4.340 0.007 0.000 0.207 74 L C 2.299 179.046 176.870 -0.206 0.000 1.072 74 L CA 1.485 56.181 54.840 -0.240 0.000 0.744 74 L CB -0.441 41.414 42.059 -0.339 0.000 0.895 74 L HN 0.073 nan 8.230 nan 0.000 0.433 75 L N -0.643 120.498 121.223 -0.137 0.000 2.083 75 L HA -0.240 4.104 4.340 0.007 0.000 0.209 75 L C 2.548 179.443 176.870 0.042 0.000 1.083 75 L CA 1.441 56.246 54.840 -0.058 0.000 0.752 75 L CB -0.571 41.462 42.059 -0.044 0.000 0.899 75 L HN 0.241 nan 8.230 nan 0.000 0.433 76 K N -1.309 119.140 120.400 0.081 0.000 2.209 76 K HA -0.199 4.125 4.320 0.007 0.000 0.204 76 K C 2.090 178.793 176.600 0.171 0.000 1.048 76 K CA 0.906 57.303 56.287 0.182 0.000 0.940 76 K CB -0.198 32.424 32.500 0.203 0.000 0.729 76 K HN 0.394 nan 8.250 nan 0.000 0.451 77 H N -0.239 118.851 119.070 0.033 0.000 2.448 77 H HA 0.081 4.641 4.556 0.006 0.000 0.292 77 H C 0.183 175.555 175.328 0.073 0.000 1.035 77 H CA 0.409 56.478 56.048 0.034 0.000 1.349 77 H CB 0.413 30.116 29.762 -0.099 0.000 1.425 77 H HN 0.002 nan 8.280 nan 0.000 0.539 78 M N 2.223 121.896 119.600 0.121 0.000 2.220 78 M HA 0.098 4.582 4.480 0.007 0.000 0.343 78 M C -0.379 175.992 176.300 0.118 0.000 1.470 78 M CA 0.682 56.096 55.300 0.191 0.000 1.161 78 M CB 0.357 33.048 32.600 0.151 0.000 1.737 78 M HN 0.020 nan 8.290 nan 0.000 0.464 79 K N 3.278 123.742 120.400 0.107 0.000 2.687 79 K HA 0.404 4.728 4.320 0.007 0.000 0.197 79 K C -1.136 175.354 176.600 -0.184 0.000 1.049 79 K CA -0.373 55.909 56.287 -0.008 0.000 1.030 79 K CB 1.127 33.638 32.500 0.019 0.000 1.261 79 K HN 0.652 nan 8.250 nan 0.000 0.565 80 H N -0.337 118.514 119.070 -0.365 0.000 3.085 80 H HA 0.096 4.656 4.556 0.006 0.000 0.356 80 H C 0.281 175.449 175.328 -0.267 0.000 1.178 80 H CA -0.414 55.338 56.048 -0.494 0.000 1.214 80 H CB 1.427 30.559 29.762 -1.050 0.000 1.881 80 H HN 0.348 nan 8.280 nan 0.000 0.538 81 E N 2.090 121.994 120.200 -0.493 0.000 2.130 81 E HA -0.207 4.147 4.350 0.007 0.000 0.196 81 E C 0.311 176.849 176.600 -0.102 0.000 0.998 81 E CA 1.632 57.875 56.400 -0.261 0.000 0.806 81 E CB 0.001 29.531 29.700 -0.284 0.000 0.738 81 E HN 0.575 nan 8.360 nan 0.000 0.459 82 N N -0.118 118.641 118.700 0.097 0.000 2.268 82 N HA 0.075 4.819 4.740 0.007 0.000 0.204 82 N C -1.136 174.395 175.510 0.035 0.000 1.124 82 N CA -0.216 52.874 53.050 0.067 0.000 0.838 82 N CB 1.096 39.612 38.487 0.047 0.000 0.994 82 N HN -0.145 nan 8.380 nan 0.000 0.489 83 V N 1.071 121.024 119.914 0.065 0.000 2.709 83 V HA 0.281 4.405 4.120 0.007 0.000 0.308 83 V C 0.102 176.249 176.094 0.088 0.000 1.062 83 V CA -1.214 61.129 62.300 0.072 0.000 0.901 83 V CB 2.564 34.448 31.823 0.102 0.000 1.003 83 V HN 0.131 nan 8.190 nan 0.000 0.425 84 I N 3.207 123.856 120.570 0.132 0.000 2.826 84 I HA 0.336 4.510 4.170 0.007 0.000 0.295 84 I C 0.795 176.999 176.117 0.145 0.000 1.213 84 I CA 1.036 62.421 61.300 0.141 0.000 1.436 84 I CB 0.228 38.331 38.000 0.172 0.000 1.348 84 I HN 0.827 nan 8.210 nan 0.000 0.570 85 G N 7.109 115.994 108.800 0.142 0.000 2.788 85 G HA2 0.522 4.486 3.960 0.007 0.000 0.293 85 G HA3 0.522 4.486 3.960 0.007 0.000 0.293 85 G C -1.250 173.731 174.900 0.135 0.000 1.305 85 G CA -0.895 44.287 45.100 0.137 0.000 1.005 85 G HN 0.565 nan 8.290 nan 0.000 0.496 86 L N 1.223 122.529 121.223 0.139 0.000 2.257 86 L HA 0.301 4.645 4.340 0.007 0.000 0.290 86 L C 1.066 178.045 176.870 0.182 0.000 1.044 86 L CA -0.490 54.408 54.840 0.097 0.000 0.810 86 L CB 1.450 43.546 42.059 0.063 0.000 1.193 86 L HN 0.486 nan 8.230 nan 0.000 0.425 87 L N 2.339 123.609 121.223 0.078 0.000 2.131 87 L HA 0.089 4.433 4.340 0.007 0.000 0.206 87 L C 0.212 177.194 176.870 0.187 0.000 1.087 87 L CA 0.879 55.793 54.840 0.122 0.000 0.767 87 L CB -0.004 42.042 42.059 -0.023 0.000 0.917 87 L HN 0.629 nan 8.230 nan 0.000 0.441 88 D N -2.172 118.163 120.400 -0.108 0.000 2.653 88 D HA 0.440 5.084 4.640 0.007 0.000 0.258 88 D C -1.672 174.323 176.300 -0.509 0.000 1.252 88 D CA -0.237 53.600 54.000 -0.270 0.000 0.777 88 D CB 2.511 43.425 40.800 0.189 0.000 1.339 88 D HN -0.278 nan 8.370 nan 0.000 0.422 89 V N 2.459 122.057 119.914 -0.526 0.000 2.891 89 V HA 0.896 5.020 4.120 0.007 0.000 0.304 89 V C -1.798 174.280 176.094 -0.026 0.000 1.171 89 V CA -0.495 61.604 62.300 -0.336 0.000 0.943 89 V CB 1.319 32.902 31.823 -0.401 0.000 1.037 89 V HN 0.579 nan 8.190 nan 0.000 0.427 90 F N 2.405 122.409 119.950 0.090 0.000 2.686 90 F HA 0.901 5.432 4.527 0.006 0.000 0.311 90 F C -0.833 175.179 175.800 0.353 0.000 1.128 90 F CA -0.544 57.579 58.000 0.206 0.000 0.946 90 F CB 1.675 40.809 39.000 0.222 0.000 1.336 90 F HN 0.596 nan 8.300 nan 0.000 0.457 91 T N 1.141 116.080 114.554 0.641 0.000 2.912 91 T HA 0.550 4.904 4.350 0.007 0.000 0.299 91 T C -2.418 172.526 174.700 0.407 0.000 1.052 91 T CA -1.884 60.580 62.100 0.606 0.000 0.996 91 T CB 1.943 71.168 68.868 0.596 0.000 1.070 91 T HN 0.510 nan 8.240 nan 0.000 0.465 92 P HA 0.224 nan 4.420 nan 0.000 0.225 92 P C 0.300 177.455 177.300 -0.242 0.000 1.156 92 P CA 0.104 62.889 63.100 -0.525 0.000 0.787 92 P CB -0.161 31.378 31.700 -0.269 0.000 0.802 93 A N 0.692 123.557 122.820 0.075 0.000 2.520 93 A HA 0.026 4.350 4.320 0.007 0.000 0.235 93 A C 1.140 178.791 177.584 0.112 0.000 1.065 93 A CA 0.229 52.345 52.037 0.130 0.000 0.764 93 A CB -0.051 19.131 19.000 0.304 0.000 1.002 93 A HN 0.089 nan 8.150 nan 0.000 0.502 94 R N 0.262 120.810 120.500 0.080 0.000 2.362 94 R HA 0.174 4.518 4.340 0.007 0.000 0.227 94 R C 0.006 176.375 176.300 0.115 0.000 0.905 94 R CA 0.809 56.959 56.100 0.083 0.000 1.067 94 R CB 0.218 30.541 30.300 0.039 0.000 1.078 94 R HN 0.850 nan 8.270 nan 0.000 0.516 95 S N -1.388 114.370 115.700 0.095 0.000 2.565 95 S HA 0.126 4.600 4.470 0.007 0.000 0.269 95 S C 0.200 174.655 174.600 -0.242 0.000 1.153 95 S CA -0.910 57.289 58.200 -0.000 0.000 0.835 95 S CB 1.195 64.382 63.200 -0.022 0.000 1.122 95 S HN -0.017 nan 8.310 nan 0.000 0.462 96 L N 1.324 122.199 121.223 -0.581 0.000 2.081 96 L HA 0.039 4.383 4.340 0.007 0.000 0.212 96 L C 2.097 178.798 176.870 -0.282 0.000 1.080 96 L CA 2.234 56.608 54.840 -0.777 0.000 0.754 96 L CB -1.220 40.445 42.059 -0.656 0.000 0.893 96 L HN 0.875 nan 8.230 nan 0.000 0.433 97 E N 0.175 120.272 120.200 -0.171 0.000 2.106 97 E HA -0.202 4.152 4.350 0.007 0.000 0.192 97 E C 1.842 178.413 176.600 -0.048 0.000 0.984 97 E CA 1.469 57.814 56.400 -0.092 0.000 0.806 97 E CB -0.202 29.458 29.700 -0.068 0.000 0.750 97 E HN 0.827 nan 8.360 nan 0.000 0.458 98 E N -0.338 119.849 120.200 -0.021 0.000 2.463 98 E HA 0.006 4.360 4.350 0.007 0.000 0.193 98 E C -0.218 176.437 176.600 0.091 0.000 1.041 98 E CA -0.415 55.997 56.400 0.020 0.000 0.879 98 E CB -0.171 29.542 29.700 0.022 0.000 0.997 98 E HN 0.054 nan 8.360 nan 0.000 0.478 99 F N 2.740 122.636 119.950 -0.091 0.000 2.519 99 F HA 0.159 4.690 4.527 0.006 0.000 0.375 99 F C 0.393 176.226 175.800 0.054 0.000 1.084 99 F CA -0.205 57.788 58.000 -0.012 0.000 1.147 99 F CB 0.251 39.170 39.000 -0.135 0.000 1.088 99 F HN -0.041 nan 8.300 nan 0.000 0.555 100 N N 2.939 121.501 118.700 -0.231 0.000 2.249 100 N HA 0.024 4.768 4.740 0.007 0.000 0.239 100 N C -0.917 174.434 175.510 -0.265 0.000 1.185 100 N CA -0.041 52.872 53.050 -0.229 0.000 0.825 100 N CB 0.542 38.974 38.487 -0.092 0.000 1.372 100 N HN 0.443 nan 8.380 nan 0.000 0.472 101 D N 1.220 121.524 120.400 -0.159 0.000 2.252 101 D HA 0.467 5.111 4.640 0.007 0.000 0.245 101 D C -0.498 175.794 176.300 -0.012 0.000 1.009 101 D CA -0.301 53.603 54.000 -0.160 0.000 0.870 101 D CB 3.259 44.006 40.800 -0.089 0.000 1.251 101 D HN -0.282 nan 8.370 nan 0.000 0.460 102 V N 2.222 122.011 119.914 -0.210 0.000 2.577 102 V HA 0.362 4.486 4.120 0.007 0.000 0.303 102 V C -1.245 174.629 176.094 -0.368 0.000 1.042 102 V CA -0.764 61.489 62.300 -0.078 0.000 0.872 102 V CB 1.297 33.093 31.823 -0.045 0.000 0.998 102 V HN 0.401 nan 8.190 nan 0.000 0.423 103 Y N 4.547 124.598 120.300 -0.415 0.000 2.376 103 Y HA 0.746 5.300 4.550 0.006 0.000 0.340 103 Y C -0.125 175.409 175.900 -0.610 0.000 0.965 103 Y CA -0.789 56.933 58.100 -0.629 0.000 1.078 103 Y CB 1.821 39.564 38.460 -1.195 0.000 1.193 103 Y HN 0.427 nan 8.280 nan 0.000 0.452 104 L N 3.631 124.711 121.223 -0.238 0.000 2.342 104 L HA 0.858 5.202 4.340 0.007 0.000 0.271 104 L C -0.992 175.787 176.870 -0.151 0.000 1.008 104 L CA -1.239 53.478 54.840 -0.206 0.000 0.818 104 L CB 1.896 43.869 42.059 -0.144 0.000 1.296 104 L HN 0.282 nan 8.230 nan 0.000 0.427 105 V N 0.835 120.659 119.914 -0.150 0.000 2.577 105 V HA 0.644 4.768 4.120 0.007 0.000 0.303 105 V C -0.217 175.833 176.094 -0.073 0.000 1.042 105 V CA -0.326 61.906 62.300 -0.113 0.000 0.872 105 V CB 1.966 33.712 31.823 -0.127 0.000 0.998 105 V HN 0.874 nan 8.190 nan 0.000 0.423 106 T N 1.692 116.219 114.554 -0.045 0.000 2.838 106 T HA 0.455 4.809 4.350 0.007 0.000 0.292 106 T C -0.638 174.048 174.700 -0.023 0.000 1.113 106 T CA -0.570 61.523 62.100 -0.012 0.000 1.008 106 T CB 1.286 70.186 68.868 0.054 0.000 1.259 106 T HN 0.744 nan 8.240 nan 0.000 0.520 107 H N 1.560 120.647 119.070 0.028 0.000 3.001 107 H HA 0.131 4.691 4.556 0.007 0.000 0.334 107 H C 0.021 175.362 175.328 0.021 0.000 1.034 107 H CA -0.107 55.956 56.048 0.025 0.000 1.420 107 H CB 0.539 30.316 29.762 0.023 0.000 1.405 107 H HN 0.247 nan 8.280 nan 0.000 0.593 108 L N 4.659 125.962 121.223 0.133 0.000 2.410 108 L HA 0.048 4.392 4.340 0.007 0.000 0.273 108 L C -0.204 176.718 176.870 0.086 0.000 1.144 108 L CA 0.100 54.992 54.840 0.087 0.000 0.863 108 L CB 0.286 42.386 42.059 0.068 0.000 1.140 108 L HN 0.478 nan 8.230 nan 0.000 0.463 109 M N 3.711 123.347 119.600 0.059 0.000 2.367 109 M HA 0.391 4.875 4.480 0.007 0.000 0.339 109 M C 0.915 177.230 176.300 0.025 0.000 1.177 109 M CA -0.254 55.068 55.300 0.037 0.000 1.068 109 M CB 0.870 33.483 32.600 0.023 0.000 1.602 109 M HN 0.684 nan 8.290 nan 0.000 0.457 110 G N 1.107 109.917 108.800 0.016 0.000 2.549 110 G HA2 0.458 4.422 3.960 0.007 0.000 0.219 110 G HA3 0.458 4.422 3.960 0.007 0.000 0.219 110 G C -0.009 174.892 174.900 0.001 0.000 1.677 110 G CA 0.239 45.345 45.100 0.011 0.000 0.929 110 G HN 0.800 nan 8.290 nan 0.000 0.549 111 A N 0.528 123.345 122.820 -0.006 0.000 2.302 111 A HA 0.583 4.907 4.320 0.007 0.000 0.285 111 A C -0.302 177.268 177.584 -0.022 0.000 1.105 111 A CA 0.060 52.089 52.037 -0.013 0.000 0.816 111 A CB 0.593 19.584 19.000 -0.015 0.000 1.067 111 A HN 0.609 nan 8.150 nan 0.000 0.489 112 D N 0.042 120.427 120.400 -0.026 0.000 2.506 112 D HA 0.344 4.988 4.640 0.007 0.000 0.254 112 D C 0.504 176.777 176.300 -0.045 0.000 1.089 112 D CA -0.746 53.230 54.000 -0.040 0.000 1.050 112 D CB 0.516 41.292 40.800 -0.040 0.000 1.221 112 D HN 0.186 nan 8.370 nan 0.000 0.589 113 L N 0.485 121.671 121.223 -0.062 0.000 2.217 113 L HA 0.015 4.359 4.340 0.007 0.000 0.211 113 L C 1.621 178.467 176.870 -0.039 0.000 1.107 113 L CA 1.522 56.327 54.840 -0.059 0.000 0.783 113 L CB -1.249 40.760 42.059 -0.083 0.000 0.919 113 L HN 0.577 nan 8.230 nan 0.000 0.442 114 N N 0.694 119.370 118.700 -0.039 0.000 2.043 114 N HA -0.270 4.474 4.740 0.007 0.000 0.193 114 N C 1.522 177.033 175.510 0.002 0.000 1.037 114 N CA 2.146 55.190 53.050 -0.010 0.000 0.851 114 N CB -0.441 38.041 38.487 -0.008 0.000 1.027 114 N HN 0.672 nan 8.380 nan 0.000 0.422 115 N N -0.039 118.658 118.700 -0.005 0.000 2.457 115 N HA -0.102 4.642 4.740 0.007 0.000 0.180 115 N C 1.433 176.942 175.510 -0.002 0.000 1.050 115 N CA 0.466 53.517 53.050 0.001 0.000 0.906 115 N CB -0.032 38.456 38.487 0.001 0.000 0.968 115 N HN 0.217 nan 8.380 nan 0.000 0.445 116 I N 1.516 122.078 120.570 -0.012 0.000 2.142 116 I HA -0.170 4.004 4.170 0.007 0.000 0.240 116 I C 2.552 178.667 176.117 -0.004 0.000 1.078 116 I CA 0.766 62.056 61.300 -0.017 0.000 1.343 116 I CB -1.111 36.869 38.000 -0.033 0.000 1.046 116 I HN 0.046 nan 8.210 nan 0.000 0.405 117 V N 1.192 121.108 119.914 0.003 0.000 2.407 117 V HA -0.251 3.873 4.120 0.007 0.000 0.248 117 V C 2.517 178.626 176.094 0.025 0.000 1.055 117 V CA 1.818 64.129 62.300 0.019 0.000 1.049 117 V CB -0.379 31.461 31.823 0.027 0.000 0.662 117 V HN 0.388 nan 8.190 nan 0.000 0.455 118 K N -1.208 119.207 120.400 0.025 0.000 2.155 118 K HA -0.067 4.257 4.320 0.007 0.000 0.203 118 K C 1.840 178.453 176.600 0.022 0.000 1.052 118 K CA 1.577 57.881 56.287 0.028 0.000 0.948 118 K CB -0.188 32.332 32.500 0.033 0.000 0.728 118 K HN 0.530 nan 8.250 nan 0.000 0.448 119 C N 0.071 119.380 119.300 0.016 0.000 3.070 119 C HA 0.217 4.681 4.460 0.007 0.000 0.280 119 C C 0.384 175.381 174.990 0.012 0.000 1.264 119 C CA -0.489 58.537 59.018 0.013 0.000 1.690 119 C CB -0.183 27.562 27.740 0.008 0.000 2.049 119 C HN 0.357 nan 8.230 nan 0.000 0.636 120 Q N 0.331 120.139 119.800 0.013 0.000 2.389 120 Q HA 0.361 4.705 4.340 0.007 0.000 0.277 120 Q C -0.984 175.034 176.000 0.029 0.000 1.082 120 Q CA -0.321 55.491 55.803 0.014 0.000 0.810 120 Q CB 1.787 30.522 28.738 -0.006 0.000 1.374 120 Q HN 0.274 nan 8.270 nan 0.000 0.422 121 K N 2.077 122.503 120.400 0.044 0.000 2.258 121 K HA 0.379 4.703 4.320 0.007 0.000 0.284 121 K C -0.790 175.876 176.600 0.111 0.000 1.051 121 K CA -0.156 56.171 56.287 0.066 0.000 0.923 121 K CB 0.593 33.130 32.500 0.063 0.000 1.046 121 K HN 0.411 nan 8.250 nan 0.000 0.474 122 L N 2.547 123.852 121.223 0.137 0.000 2.317 122 L HA 0.292 4.636 4.340 0.007 0.000 0.281 122 L C 0.954 177.962 176.870 0.230 0.000 1.024 122 L CA -0.840 54.155 54.840 0.258 0.000 0.810 122 L CB 1.537 43.704 42.059 0.180 0.000 1.240 122 L HN 0.718 nan 8.230 nan 0.000 0.427 123 T N -3.008 111.691 114.554 0.240 0.000 2.788 123 T HA 0.052 4.406 4.350 0.007 0.000 0.280 123 T C 0.703 175.435 174.700 0.054 0.000 0.984 123 T CA -0.481 61.634 62.100 0.025 0.000 0.972 123 T CB 1.160 69.925 68.868 -0.173 0.000 1.039 123 T HN 0.651 nan 8.240 nan 0.000 0.530 124 D N -0.528 119.899 120.400 0.045 0.000 2.218 124 D HA -0.122 4.522 4.640 0.007 0.000 0.204 124 D C 1.617 177.962 176.300 0.074 0.000 0.976 124 D CA 1.146 55.208 54.000 0.103 0.000 0.853 124 D CB -0.330 40.538 40.800 0.114 0.000 0.939 124 D HN 0.758 nan 8.370 nan 0.000 0.481 125 D N -1.720 118.669 120.400 -0.017 0.000 2.149 125 D HA -0.116 4.528 4.640 0.007 0.000 0.201 125 D C 1.680 178.038 176.300 0.096 0.000 0.972 125 D CA 1.083 55.084 54.000 0.001 0.000 0.835 125 D CB -0.026 40.723 40.800 -0.085 0.000 0.966 125 D HN 0.421 nan 8.370 nan 0.000 0.476 126 H N -1.147 117.994 119.070 0.118 0.000 2.387 126 H HA -0.053 4.507 4.556 0.007 0.000 0.299 126 H C 2.163 177.570 175.328 0.131 0.000 1.090 126 H CA 1.008 57.136 56.048 0.134 0.000 1.332 126 H CB 0.253 30.075 29.762 0.100 0.000 1.386 126 H HN 0.038 nan 8.280 nan 0.000 0.516 127 V N 0.981 121.041 119.914 0.244 0.000 2.358 127 V HA -0.265 3.859 4.120 0.007 0.000 0.246 127 V C 2.161 178.393 176.094 0.230 0.000 1.047 127 V CA 1.733 64.164 62.300 0.219 0.000 1.035 127 V CB -0.515 31.449 31.823 0.236 0.000 0.658 127 V HN 0.457 nan 8.190 nan 0.000 0.452 128 Q N -0.961 118.910 119.800 0.118 0.000 2.077 128 Q HA -0.259 4.085 4.340 0.007 0.000 0.206 128 Q C 2.189 178.300 176.000 0.185 0.000 0.989 128 Q CA 2.318 58.127 55.803 0.011 0.000 0.853 128 Q CB -0.341 28.313 28.738 -0.140 0.000 0.907 128 Q HN 0.618 nan 8.270 nan 0.000 0.418 129 F N 0.913 120.743 119.950 -0.201 0.000 2.146 129 F HA -0.118 4.413 4.527 0.006 0.000 0.298 129 F C 1.764 177.464 175.800 -0.167 0.000 1.096 129 F CA 1.094 58.795 58.000 -0.499 0.000 1.275 129 F CB -0.263 38.448 39.000 -0.481 0.000 1.008 129 F HN -0.028 nan 8.300 nan 0.000 0.480 130 L N -0.384 120.796 121.223 -0.073 0.000 2.017 130 L HA -0.256 4.088 4.340 0.007 0.000 0.208 130 L C 2.425 179.215 176.870 -0.133 0.000 1.073 130 L CA 0.845 55.586 54.840 -0.165 0.000 0.745 130 L CB -0.685 41.347 42.059 -0.046 0.000 0.894 130 L HN 0.096 nan 8.230 nan 0.000 0.432 131 I N -1.168 119.419 120.570 0.029 0.000 2.353 131 I HA -0.287 3.887 4.170 0.007 0.000 0.248 131 I C 2.481 178.507 176.117 -0.152 0.000 1.119 131 I CA 1.373 62.703 61.300 0.050 0.000 1.417 131 I CB -1.184 37.002 38.000 0.310 0.000 1.078 131 I HN 0.261 nan 8.210 nan 0.000 0.421 132 Y N 2.383 122.484 120.300 -0.331 0.000 2.114 132 Y HA -0.313 4.241 4.550 0.006 0.000 0.282 132 Y C 2.718 178.362 175.900 -0.426 0.000 1.165 132 Y CA 2.066 59.781 58.100 -0.641 0.000 1.148 132 Y CB -0.402 37.832 38.460 -0.377 0.000 0.972 132 Y HN 0.233 nan 8.280 nan 0.000 0.504 133 Q N -0.209 119.340 119.800 -0.419 0.000 2.119 133 Q HA -0.134 4.210 4.340 0.007 0.000 0.201 133 Q C 2.340 178.118 176.000 -0.370 0.000 0.972 133 Q CA 1.848 57.389 55.803 -0.436 0.000 0.847 133 Q CB -0.150 28.311 28.738 -0.461 0.000 0.903 133 Q HN 0.582 nan 8.270 nan 0.000 0.433 134 I N 0.512 120.889 120.570 -0.321 0.000 2.226 134 I HA -0.298 3.876 4.170 0.007 0.000 0.245 134 I C 2.062 177.998 176.117 -0.302 0.000 1.100 134 I CA 1.150 62.286 61.300 -0.274 0.000 1.374 134 I CB -0.225 37.645 38.000 -0.215 0.000 1.057 134 I HN 0.201 nan 8.210 nan 0.000 0.413 135 L N 0.096 121.107 121.223 -0.354 0.000 2.141 135 L HA -0.157 4.186 4.340 0.007 0.000 0.209 135 L C 2.748 179.401 176.870 -0.362 0.000 1.094 135 L CA 1.047 55.682 54.840 -0.343 0.000 0.763 135 L CB -0.533 41.297 42.059 -0.381 0.000 0.908 135 L HN 0.207 nan 8.230 nan 0.000 0.437 136 R N 0.352 120.564 120.500 -0.480 0.000 2.073 136 R HA -0.130 4.214 4.340 0.007 0.000 0.234 136 R C 2.275 178.417 176.300 -0.263 0.000 1.134 136 R CA 1.516 57.404 56.100 -0.354 0.000 0.952 136 R CB -0.451 29.583 30.300 -0.443 0.000 0.850 136 R HN 0.353 nan 8.270 nan 0.000 0.433 137 G N 0.943 109.562 108.800 -0.302 0.000 2.418 137 G HA2 -0.241 3.723 3.960 0.007 0.000 0.217 137 G HA3 -0.241 3.723 3.960 0.007 0.000 0.217 137 G C 1.256 175.963 174.900 -0.321 0.000 1.158 137 G CA 0.406 45.257 45.100 -0.415 0.000 0.771 137 G HN 0.243 nan 8.290 nan 0.000 0.545 138 L N 0.813 121.851 121.223 -0.308 0.000 2.083 138 L HA 0.081 4.425 4.340 0.007 0.000 0.209 138 L C 2.680 179.323 176.870 -0.378 0.000 1.083 138 L CA 1.871 56.470 54.840 -0.401 0.000 0.752 138 L CB -0.493 41.302 42.059 -0.439 0.000 0.899 138 L HN 0.238 nan 8.230 nan 0.000 0.433 139 K N -1.584 118.688 120.400 -0.213 0.000 2.074 139 K HA -0.300 4.024 4.320 0.007 0.000 0.209 139 K C 2.297 178.891 176.600 -0.010 0.000 1.048 139 K CA 2.167 58.412 56.287 -0.070 0.000 0.926 139 K CB -0.457 32.027 32.500 -0.028 0.000 0.713 139 K HN 0.385 nan 8.250 nan 0.000 0.444 140 Y N 1.242 121.430 120.300 -0.187 0.000 2.114 140 Y HA -0.208 4.346 4.550 0.007 0.000 0.284 140 Y C 1.957 177.828 175.900 -0.048 0.000 1.143 140 Y CA 1.877 59.891 58.100 -0.143 0.000 1.135 140 Y CB -0.210 38.001 38.460 -0.414 0.000 0.980 140 Y HN 0.009 nan 8.280 nan 0.000 0.499 141 I N -0.230 120.370 120.570 0.050 0.000 2.127 141 I HA -0.415 3.759 4.170 0.007 0.000 0.241 141 I C 2.304 178.487 176.117 0.110 0.000 1.075 141 I CA 2.119 63.476 61.300 0.095 0.000 1.334 141 I CB -0.667 37.441 38.000 0.180 0.000 1.040 141 I HN 0.376 nan 8.210 nan 0.000 0.405 142 H N -0.261 118.825 119.070 0.027 0.000 2.423 142 H HA -0.124 4.436 4.556 0.007 0.000 0.297 142 H C 2.490 177.819 175.328 0.002 0.000 1.075 142 H CA 1.108 57.175 56.048 0.031 0.000 1.342 142 H CB 0.053 29.839 29.762 0.039 0.000 1.395 142 H HN 0.396 nan 8.280 nan 0.000 0.530 143 S N 0.696 116.451 115.700 0.092 0.000 2.442 143 S HA -0.083 4.391 4.470 0.007 0.000 0.236 143 S C 1.989 176.588 174.600 -0.001 0.000 1.007 143 S CA 0.707 58.923 58.200 0.026 0.000 0.965 143 S CB -0.030 63.163 63.200 -0.011 0.000 0.773 143 S HN 0.406 nan 8.310 nan 0.000 0.504 144 A N 0.681 123.485 122.820 -0.027 0.000 2.307 144 A HA 0.283 4.607 4.320 0.007 0.000 0.218 144 A C 0.612 178.235 177.584 0.064 0.000 1.228 144 A CA 0.244 52.284 52.037 0.006 0.000 0.857 144 A CB -0.417 18.543 19.000 -0.066 0.000 0.897 144 A HN 0.388 nan 8.150 nan 0.000 0.495 145 D N -0.774 119.666 120.400 0.067 0.000 2.772 145 D HA -0.146 4.498 4.640 0.007 0.000 0.233 145 D C -0.425 175.933 176.300 0.096 0.000 1.143 145 D CA 0.983 55.023 54.000 0.066 0.000 0.700 145 D CB -1.050 39.777 40.800 0.046 0.000 1.076 145 D HN 0.543 nan 8.370 nan 0.000 0.430 146 I N 0.694 121.341 120.570 0.128 0.000 2.441 146 I HA 0.374 4.548 4.170 0.007 0.000 0.295 146 I C 0.801 177.078 176.117 0.266 0.000 0.994 146 I CA -0.820 60.580 61.300 0.167 0.000 1.144 146 I CB 1.717 39.781 38.000 0.108 0.000 1.314 146 I HN -0.146 nan 8.210 nan 0.000 0.445 147 I N 4.954 125.678 120.570 0.256 0.000 2.377 147 I HA 0.175 4.349 4.170 0.007 0.000 0.293 147 I C 1.141 177.459 176.117 0.335 0.000 0.987 147 I CA -0.472 61.008 61.300 0.299 0.000 1.185 147 I CB 1.447 39.602 38.000 0.258 0.000 1.341 147 I HN 0.696 nan 8.210 nan 0.000 0.455 148 H N 6.976 126.170 119.070 0.207 0.000 2.307 148 H HA 0.024 4.583 4.556 0.006 0.000 0.303 148 H C 1.076 176.441 175.328 0.061 0.000 1.073 148 H CA 1.915 57.970 56.048 0.012 0.000 1.338 148 H CB 0.466 30.061 29.762 -0.277 0.000 1.389 148 H HN 0.654 nan 8.280 nan 0.000 0.503 149 R N -1.029 119.631 120.500 0.267 0.000 3.603 149 R HA -0.172 4.172 4.340 0.007 0.000 0.479 149 R C -0.332 176.090 176.300 0.203 0.000 0.745 149 R CA 1.330 57.540 56.100 0.184 0.000 1.476 149 R CB -1.480 28.891 30.300 0.119 0.000 2.147 149 R HN 0.342 nan 8.270 nan 0.000 0.447 150 D N 0.416 121.041 120.400 0.374 0.000 2.940 150 D HA 0.259 4.903 4.640 0.007 0.000 0.366 150 D C -0.688 175.709 176.300 0.162 0.000 1.446 150 D CA -0.160 53.991 54.000 0.251 0.000 0.780 150 D CB 0.404 41.347 40.800 0.238 0.000 1.206 150 D HN 0.094 nan 8.370 nan 0.000 0.454 151 L N 1.999 123.222 121.223 0.001 0.000 2.418 151 L HA 0.292 4.636 4.340 0.007 0.000 0.274 151 L C 0.466 177.233 176.870 -0.173 0.000 1.135 151 L CA 0.389 55.092 54.840 -0.229 0.000 0.870 151 L CB 0.296 42.206 42.059 -0.249 0.000 1.154 151 L HN 0.107 nan 8.230 nan 0.000 0.462 152 K N 2.459 122.680 120.400 -0.299 0.000 2.597 152 K HA 0.415 4.739 4.320 0.007 0.000 0.282 152 K C -2.804 173.526 176.600 -0.449 0.000 0.975 152 K CA -1.557 54.379 56.287 -0.586 0.000 0.867 152 K CB 1.440 33.635 32.500 -0.508 0.000 1.465 152 K HN -0.106 nan 8.250 nan 0.000 0.417 153 P HA -0.240 nan 4.420 nan 0.000 0.217 153 P C 1.225 178.425 177.300 -0.167 0.000 1.148 153 P CA 1.864 64.808 63.100 -0.261 0.000 0.828 153 P CB 0.068 31.656 31.700 -0.188 0.000 0.783 154 S N -1.965 113.645 115.700 -0.150 0.000 2.515 154 S HA -0.057 4.417 4.470 0.007 0.000 0.231 154 S C 1.475 176.029 174.600 -0.076 0.000 0.987 154 S CA 0.785 58.932 58.200 -0.088 0.000 0.936 154 S CB -1.316 61.844 63.200 -0.065 0.000 0.766 154 S HN 0.206 nan 8.310 nan 0.000 0.528 155 N N 0.407 119.046 118.700 -0.103 0.000 2.276 155 N HA 0.352 5.096 4.740 0.007 0.000 0.212 155 N C -1.098 174.346 175.510 -0.109 0.000 1.127 155 N CA -0.090 52.914 53.050 -0.078 0.000 0.834 155 N CB 0.224 38.671 38.487 -0.067 0.000 1.014 155 N HN 0.371 nan 8.380 nan 0.000 0.491 156 L N 1.032 122.184 121.223 -0.118 0.000 2.372 156 L HA 0.565 4.909 4.340 0.007 0.000 0.274 156 L C -0.491 176.325 176.870 -0.090 0.000 0.988 156 L CA -0.817 53.948 54.840 -0.124 0.000 0.833 156 L CB 1.793 43.759 42.059 -0.156 0.000 1.236 156 L HN -0.098 nan 8.230 nan 0.000 0.410 157 A N 3.752 126.528 122.820 -0.073 0.000 2.331 157 A HA 0.760 5.083 4.320 0.007 0.000 0.283 157 A C -0.413 177.129 177.584 -0.069 0.000 1.142 157 A CA -0.356 51.648 52.037 -0.056 0.000 0.812 157 A CB 0.955 19.933 19.000 -0.037 0.000 1.074 157 A HN 0.429 nan 8.150 nan 0.000 0.497 158 V N 4.230 124.110 119.914 -0.058 0.000 2.525 158 V HA 0.283 4.407 4.120 0.007 0.000 0.299 158 V C -0.201 175.870 176.094 -0.038 0.000 1.034 158 V CA -0.909 61.355 62.300 -0.060 0.000 0.863 158 V CB 1.491 33.276 31.823 -0.064 0.000 0.999 158 V HN 1.121 nan 8.190 nan 0.000 0.423 159 N N 3.524 122.206 118.700 -0.029 0.000 2.514 159 N HA 0.252 4.996 4.740 0.007 0.000 0.299 159 N C 0.672 176.180 175.510 -0.003 0.000 1.292 159 N CA -0.491 52.553 53.050 -0.011 0.000 0.963 159 N CB 0.615 39.099 38.487 -0.006 0.000 1.124 159 N HN 0.476 nan 8.380 nan 0.000 0.580 160 E N -1.110 119.093 120.200 0.005 0.000 2.208 160 E HA -0.025 4.329 4.350 0.007 0.000 0.193 160 E C 0.065 176.675 176.600 0.017 0.000 0.988 160 E CA 0.982 57.385 56.400 0.005 0.000 0.828 160 E CB -0.185 29.521 29.700 0.010 0.000 0.763 160 E HN 0.534 nan 8.360 nan 0.000 0.478 161 D N -0.335 120.087 120.400 0.038 0.000 2.324 161 D HA 0.037 4.681 4.640 0.007 0.000 0.235 161 D C -0.074 176.311 176.300 0.141 0.000 1.095 161 D CA 0.134 54.178 54.000 0.073 0.000 0.871 161 D CB -0.051 40.797 40.800 0.079 0.000 0.906 161 D HN 0.097 nan 8.370 nan 0.000 0.522 162 C N 1.356 120.709 119.300 0.090 0.000 4.358 162 C HA -0.177 4.287 4.460 0.007 0.000 0.287 162 C C 0.558 175.608 174.990 0.099 0.000 1.414 162 C CA 0.033 59.115 59.018 0.107 0.000 1.949 162 C CB -2.256 25.600 27.740 0.194 0.000 1.274 162 C HN 0.371 nan 8.230 nan 0.000 0.793 163 E N -0.276 119.964 120.200 0.066 0.000 2.289 163 E HA 0.528 4.882 4.350 0.007 0.000 0.278 163 E C -0.068 176.462 176.600 -0.117 0.000 1.032 163 E CA -0.143 56.235 56.400 -0.037 0.000 0.854 163 E CB 1.228 30.944 29.700 0.026 0.000 1.046 163 E HN 0.579 nan 8.360 nan 0.000 0.409 164 L N 2.657 123.762 121.223 -0.196 0.000 2.354 164 L HA 0.518 4.862 4.340 0.007 0.000 0.269 164 L C -1.089 175.692 176.870 -0.148 0.000 1.005 164 L CA -0.584 54.149 54.840 -0.178 0.000 0.819 164 L CB 1.301 43.219 42.059 -0.235 0.000 1.311 164 L HN 0.361 nan 8.230 nan 0.000 0.423 165 K N 4.631 124.960 120.400 -0.118 0.000 2.468 165 K HA 0.513 4.837 4.320 0.007 0.000 0.252 165 K C -1.305 175.239 176.600 -0.093 0.000 0.932 165 K CA -0.647 55.586 56.287 -0.090 0.000 0.794 165 K CB 2.161 34.623 32.500 -0.064 0.000 1.241 165 K HN 0.537 nan 8.250 nan 0.000 0.428 166 I N 4.776 125.288 120.570 -0.096 0.000 2.416 166 I HA 0.053 4.227 4.170 0.007 0.000 0.288 166 I C -0.040 176.062 176.117 -0.026 0.000 1.051 166 I CA -0.432 60.787 61.300 -0.135 0.000 1.375 166 I CB 0.343 38.215 38.000 -0.214 0.000 1.407 166 I HN 0.281 nan 8.210 nan 0.000 0.516 167 L N 4.816 126.032 121.223 -0.012 0.000 2.805 167 L HA 0.349 4.692 4.340 0.007 0.000 0.242 167 L C 0.304 177.285 176.870 0.186 0.000 1.180 167 L CA -0.564 54.327 54.840 0.084 0.000 1.001 167 L CB 0.041 42.126 42.059 0.042 0.000 1.864 167 L HN 0.463 nan 8.230 nan 0.000 0.551 168 D N 0.776 121.285 120.400 0.183 0.000 2.752 168 D HA -0.112 4.532 4.640 0.007 0.000 0.225 168 D C -0.487 175.872 176.300 0.098 0.000 1.104 168 D CA 0.882 55.006 54.000 0.207 0.000 0.832 168 D CB 0.099 40.965 40.800 0.111 0.000 1.161 168 D HN 0.027 nan 8.370 nan 0.000 0.505 169 F N 0.578 120.401 119.950 -0.211 0.000 2.418 169 F HA 0.241 4.772 4.527 0.006 0.000 0.341 169 F C 1.717 177.321 175.800 -0.326 0.000 1.120 169 F CA -0.595 57.050 58.000 -0.592 0.000 1.232 169 F CB 0.610 39.396 39.000 -0.357 0.000 1.175 169 F HN 0.225 nan 8.300 nan 0.000 0.569 170 G N 3.721 112.404 108.800 -0.195 0.000 2.404 170 G HA2 0.312 4.276 3.960 0.007 0.000 0.289 170 G HA3 0.312 4.276 3.960 0.007 0.000 0.289 170 G C 0.382 175.297 174.900 0.025 0.000 1.074 170 G CA -0.155 44.942 45.100 -0.006 0.000 1.210 170 G HN 0.690 nan 8.290 nan 0.000 0.434 171 L N 2.416 123.640 121.223 0.001 0.000 2.546 171 L HA 0.352 4.696 4.340 0.007 0.000 0.182 171 L C 1.912 178.767 176.870 -0.025 0.000 1.167 171 L CA 0.162 55.003 54.840 0.003 0.000 0.845 171 L CB -0.319 41.734 42.059 -0.010 0.000 1.134 171 L HN 0.498 nan 8.230 nan 0.000 0.500 172 A N 1.124 123.904 122.820 -0.067 0.000 2.409 172 A HA 0.216 4.540 4.320 0.007 0.000 0.267 172 A C 0.196 177.726 177.584 -0.091 0.000 1.127 172 A CA -0.116 51.868 52.037 -0.089 0.000 0.795 172 A CB 0.058 18.989 19.000 -0.114 0.000 1.061 172 A HN 0.265 nan 8.150 nan 0.000 0.502 173 R N 2.215 122.689 120.500 -0.044 0.000 2.583 173 R HA -0.015 4.329 4.340 0.007 0.000 0.274 173 R C -0.241 176.046 176.300 -0.022 0.000 0.998 173 R CA 0.121 56.222 56.100 0.002 0.000 1.081 173 R CB 0.089 30.402 30.300 0.021 0.000 0.940 173 R HN 0.871 nan 8.270 nan 0.000 0.413 174 H N 1.497 120.560 119.070 -0.010 0.000 2.852 174 H HA -0.038 4.522 4.556 0.007 0.000 0.362 174 H C 0.470 175.792 175.328 -0.010 0.000 1.122 174 H CA 0.986 57.028 56.048 -0.010 0.000 1.419 174 H CB 0.748 30.499 29.762 -0.018 0.000 1.401 174 H HN 0.644 nan 8.280 nan 0.000 0.609 175 T N -0.276 114.339 114.554 0.101 0.000 2.860 175 T HA -0.040 4.314 4.350 0.007 0.000 0.299 175 T C 1.064 175.801 174.700 0.061 0.000 1.045 175 T CA -0.870 61.265 62.100 0.058 0.000 1.071 175 T CB 0.756 69.649 68.868 0.042 0.000 0.985 175 T HN 0.424 nan 8.240 nan 0.000 0.537 176 D N 0.579 120.999 120.400 0.033 0.000 2.104 176 D HA -0.124 4.519 4.640 0.007 0.000 0.194 176 D C 1.674 177.996 176.300 0.036 0.000 0.994 176 D CA 1.702 55.717 54.000 0.025 0.000 0.830 176 D CB -0.464 40.333 40.800 -0.004 0.000 0.959 176 D HN 0.867 nan 8.370 nan 0.000 0.452 177 D N 0.510 120.927 120.400 0.028 0.000 2.178 177 D HA -0.146 4.498 4.640 0.007 0.000 0.201 177 D C 1.821 178.134 176.300 0.021 0.000 0.980 177 D CA 1.135 55.149 54.000 0.024 0.000 0.842 177 D CB -0.033 40.779 40.800 0.020 0.000 0.948 177 D HN 0.429 nan 8.370 nan 0.000 0.472 178 E N -0.695 119.522 120.200 0.028 0.000 2.435 178 E HA -0.076 4.277 4.350 0.007 0.000 0.195 178 E C 1.229 177.797 176.600 -0.053 0.000 1.029 178 E CA 0.223 56.629 56.400 0.009 0.000 0.865 178 E CB -0.102 29.638 29.700 0.066 0.000 0.833 178 E HN 0.301 nan 8.360 nan 0.000 0.510 179 M N 1.492 121.070 119.600 -0.037 0.000 2.494 179 M HA 0.158 4.642 4.480 0.007 0.000 0.232 179 M C 0.150 176.413 176.300 -0.061 0.000 1.137 179 M CA 0.430 55.671 55.300 -0.100 0.000 1.012 179 M CB 0.303 32.871 32.600 -0.053 0.000 1.567 179 M HN -0.124 nan 8.290 nan 0.000 0.486 180 T N 1.067 115.627 114.554 0.010 0.000 2.845 180 T HA 0.586 4.940 4.350 0.007 0.000 0.288 180 T C 0.804 175.523 174.700 0.032 0.000 0.980 180 T CA 0.539 62.681 62.100 0.071 0.000 1.071 180 T CB 1.632 70.540 68.868 0.067 0.000 0.941 180 T HN 0.649 nan 8.240 nan 0.000 0.487 181 G N 1.999 110.846 108.800 0.079 0.000 2.553 181 G HA2 -0.254 3.710 3.960 0.007 0.000 0.242 181 G HA3 -0.254 3.710 3.960 0.007 0.000 0.242 181 G C -0.628 174.374 174.900 0.170 0.000 1.277 181 G CA -0.417 44.754 45.100 0.118 0.000 0.910 181 G HN 0.758 nan 8.290 nan 0.000 0.576 182 Y N 1.780 122.132 120.300 0.087 0.000 2.568 182 Y HA 0.467 5.021 4.550 0.006 0.000 0.338 182 Y C 0.834 176.749 175.900 0.026 0.000 1.245 182 Y CA -0.065 58.161 58.100 0.211 0.000 1.667 182 Y CB -0.219 38.375 38.460 0.223 0.000 1.568 182 Y HN 1.090 nan 8.280 nan 0.000 0.471 183 V N 1.284 120.914 119.914 -0.472 0.000 2.686 183 V HA 0.714 4.838 4.120 0.007 0.000 0.306 183 V C 0.589 175.693 176.094 -1.651 0.000 1.065 183 V CA -0.413 61.383 62.300 -0.841 0.000 0.894 183 V CB 1.013 32.586 31.823 -0.416 0.000 1.004 183 V HN 0.491 nan 8.190 nan 0.000 0.424 184 A N 2.983 124.808 122.820 -1.659 0.000 2.024 184 A HA -0.091 4.233 4.320 0.007 0.000 0.220 184 A C 2.151 179.402 177.584 -0.554 0.000 1.164 184 A CA 2.558 53.803 52.037 -1.320 0.000 0.643 184 A CB -0.956 17.714 19.000 -0.551 0.000 0.806 184 A HN 1.559 nan 8.150 nan 0.000 0.451 185 T N -2.316 111.932 114.554 -0.510 0.000 2.778 185 T HA -0.206 4.148 4.350 0.007 0.000 0.269 185 T C 1.826 176.355 174.700 -0.286 0.000 1.050 185 T CA 1.619 63.509 62.100 -0.350 0.000 1.137 185 T CB -0.216 68.425 68.868 -0.378 0.000 0.860 185 T HN 0.529 nan 8.240 nan 0.000 0.468 186 R N -1.478 118.810 120.500 -0.353 0.000 2.335 186 R HA 0.160 4.504 4.340 0.007 0.000 0.210 186 R C 1.409 177.710 176.300 0.002 0.000 0.892 186 R CA -0.207 55.772 56.100 -0.202 0.000 1.048 186 R CB 0.144 30.268 30.300 -0.294 0.000 1.067 186 R HN 0.380 nan 8.270 nan 0.000 0.524 187 W N -0.144 121.073 121.300 -0.138 0.000 2.525 187 W HA -0.057 4.607 4.660 0.007 0.000 0.259 187 W C 0.549 176.844 176.519 -0.373 0.000 1.253 187 W CA 0.545 57.716 57.345 -0.291 0.000 1.262 187 W CB -0.369 28.789 29.460 -0.504 0.000 1.122 187 W HN 0.143 nan 8.180 nan 0.000 0.607 188 Y N -0.194 120.296 120.300 0.316 0.000 2.467 188 Y HA 0.234 4.788 4.550 0.007 0.000 0.250 188 Y C 1.153 177.249 175.900 0.328 0.000 1.155 188 Y CA -0.365 57.918 58.100 0.305 0.000 1.249 188 Y CB -0.247 38.319 38.460 0.176 0.000 1.146 188 Y HN -0.415 nan 8.280 nan 0.000 0.524 189 R N 1.317 121.989 120.500 0.286 0.000 2.441 189 R HA 0.544 4.888 4.340 0.007 0.000 0.284 189 R C 0.223 176.515 176.300 -0.012 0.000 1.070 189 R CA -0.277 55.907 56.100 0.139 0.000 1.047 189 R CB 0.807 31.109 30.300 0.002 0.000 1.016 189 R HN 0.141 nan 8.270 nan 0.000 0.477 190 A N 4.434 127.140 122.820 -0.189 0.000 2.407 190 A HA 0.254 4.578 4.320 0.007 0.000 0.248 190 A C -1.317 175.949 177.584 -0.530 0.000 1.082 190 A CA -1.223 50.379 52.037 -0.726 0.000 0.785 190 A CB 0.067 18.836 19.000 -0.384 0.000 1.020 190 A HN 0.437 nan 8.150 nan 0.000 0.489 191 P HA -0.216 nan 4.420 nan 0.000 0.216 191 P C 1.134 178.460 177.300 0.044 0.000 1.150 191 P CA 1.713 64.640 63.100 -0.289 0.000 0.843 191 P CB 0.033 31.509 31.700 -0.373 0.000 0.787 192 E N 0.730 120.896 120.200 -0.056 0.000 2.347 192 E HA -0.113 4.241 4.350 0.007 0.000 0.196 192 E C 1.666 178.399 176.600 0.221 0.000 1.008 192 E CA 0.976 57.428 56.400 0.087 0.000 0.852 192 E CB -0.758 28.928 29.700 -0.024 0.000 0.783 192 E HN 0.422 nan 8.360 nan 0.000 0.505 193 I N -3.427 117.173 120.570 0.050 0.000 4.082 193 I HA 0.270 4.444 4.170 0.007 0.000 0.337 193 I C 2.167 178.246 176.117 -0.064 0.000 1.352 193 I CA -0.368 60.906 61.300 -0.043 0.000 1.097 193 I CB 0.126 37.957 38.000 -0.282 0.000 1.048 193 I HN -0.149 nan 8.210 nan 0.000 0.393 194 M N 1.938 121.517 119.600 -0.035 0.000 2.108 194 M HA 0.059 4.543 4.480 0.007 0.000 0.261 194 M C 0.355 176.557 176.300 -0.163 0.000 1.066 194 M CA 2.007 57.258 55.300 -0.081 0.000 1.107 194 M CB 0.052 32.626 32.600 -0.044 0.000 1.356 194 M HN 0.301 nan 8.290 nan 0.000 0.406 195 L N -0.336 120.582 121.223 -0.508 0.000 2.330 195 L HA 0.325 4.669 4.340 0.007 0.000 0.271 195 L C 0.322 176.977 176.870 -0.359 0.000 1.013 195 L CA -0.823 53.601 54.840 -0.694 0.000 0.816 195 L CB 1.098 42.297 42.059 -1.433 0.000 1.287 195 L HN -0.108 nan 8.230 nan 0.000 0.435 196 N N 1.217 119.820 118.700 -0.162 0.000 2.678 196 N HA -0.104 4.640 4.740 0.007 0.000 0.223 196 N C 0.443 176.075 175.510 0.204 0.000 1.455 196 N CA 0.289 53.361 53.050 0.038 0.000 0.907 196 N CB 0.016 38.520 38.487 0.028 0.000 1.239 196 N HN 0.546 nan 8.380 nan 0.000 0.497 197 W N -1.646 119.672 121.300 0.029 0.000 3.107 197 W HA 0.431 5.095 4.660 0.007 0.000 0.293 197 W C -0.362 176.180 176.519 0.039 0.000 1.239 197 W CA -0.602 56.761 57.345 0.031 0.000 1.653 197 W CB -0.755 28.713 29.460 0.012 0.000 1.068 197 W HN -0.129 nan 8.180 nan 0.000 0.615 198 M N 1.795 121.594 119.600 0.333 0.000 2.550 198 M HA 0.258 4.742 4.480 0.007 0.000 0.292 198 M C -0.039 176.410 176.300 0.250 0.000 1.221 198 M CA -0.820 54.556 55.300 0.128 0.000 0.873 198 M CB 2.189 34.766 32.600 -0.038 0.000 1.727 198 M HN -0.105 nan 8.290 nan 0.000 0.459 199 H N 0.409 119.572 119.070 0.154 0.000 2.547 199 H HA 0.575 5.135 4.556 0.006 0.000 0.362 199 H C -1.402 174.019 175.328 0.156 0.000 1.181 199 H CA -0.436 55.698 56.048 0.144 0.000 1.376 199 H CB 0.213 29.972 29.762 -0.005 0.000 1.488 199 H HN 0.752 nan 8.280 nan 0.000 0.583 200 Y N -0.472 119.898 120.300 0.116 0.000 2.625 200 Y HA 0.376 4.930 4.550 0.007 0.000 0.338 200 Y C -0.928 174.998 175.900 0.045 0.000 1.123 200 Y CA -1.343 56.785 58.100 0.047 0.000 1.046 200 Y CB 1.096 39.587 38.460 0.053 0.000 1.299 200 Y HN 0.760 nan 8.280 nan 0.000 0.464 201 N N 0.051 118.843 118.700 0.152 0.000 2.741 201 N HA 0.234 4.978 4.740 0.007 0.000 0.310 201 N C 0.194 175.778 175.510 0.123 0.000 1.295 201 N CA -0.610 52.470 53.050 0.049 0.000 0.893 201 N CB 0.771 39.266 38.487 0.014 0.000 1.247 201 N HN 0.944 nan 8.380 nan 0.000 0.596 202 Q N -0.990 118.785 119.800 -0.041 0.000 2.248 202 Q HA -0.114 4.230 4.340 0.007 0.000 0.208 202 Q C 0.742 176.697 176.000 -0.075 0.000 0.984 202 Q CA 1.718 57.379 55.803 -0.235 0.000 0.875 202 Q CB -0.311 28.027 28.738 -0.666 0.000 0.910 202 Q HN 0.683 nan 8.270 nan 0.000 0.433 203 T N 0.136 114.710 114.554 0.034 0.000 3.148 203 T HA -0.006 4.348 4.350 0.007 0.000 0.253 203 T C 1.723 176.545 174.700 0.204 0.000 1.134 203 T CA 0.568 62.746 62.100 0.131 0.000 1.051 203 T CB -0.021 68.915 68.868 0.113 0.000 0.959 203 T HN 0.360 nan 8.240 nan 0.000 0.525 204 V N -0.091 119.942 119.914 0.197 0.000 2.392 204 V HA -0.143 3.980 4.120 0.007 0.000 0.249 204 V C 1.988 178.237 176.094 0.258 0.000 1.059 204 V CA 1.935 64.355 62.300 0.200 0.000 1.051 204 V CB -0.574 31.321 31.823 0.120 0.000 0.658 204 V HN 0.304 nan 8.190 nan 0.000 0.455 205 D N 0.394 120.951 120.400 0.262 0.000 2.219 205 D HA -0.027 4.617 4.640 0.007 0.000 0.205 205 D C 2.176 178.609 176.300 0.222 0.000 0.970 205 D CA 1.258 55.407 54.000 0.248 0.000 0.851 205 D CB -0.050 40.934 40.800 0.307 0.000 0.943 205 D HN 0.440 nan 8.370 nan 0.000 0.488 206 I N 0.300 121.022 120.570 0.254 0.000 2.315 206 I HA -0.192 3.982 4.170 0.007 0.000 0.248 206 I C 2.347 178.594 176.117 0.216 0.000 1.117 206 I CA 0.590 62.011 61.300 0.201 0.000 1.404 206 I CB -0.911 37.206 38.000 0.196 0.000 1.071 206 I HN 0.261 nan 8.210 nan 0.000 0.419 207 W N 2.162 123.535 121.300 0.121 0.000 2.335 207 W HA -0.243 4.420 4.660 0.006 0.000 0.311 207 W C 2.548 179.163 176.519 0.159 0.000 1.213 207 W CA 1.871 59.300 57.345 0.140 0.000 1.274 207 W CB -0.322 29.216 29.460 0.131 0.000 1.148 207 W HN 0.090 nan 8.180 nan 0.000 0.498 208 S N 0.829 116.770 115.700 0.401 0.000 2.365 208 S HA -0.226 4.248 4.470 0.007 0.000 0.225 208 S C 1.828 176.512 174.600 0.139 0.000 1.039 208 S CA 1.962 60.343 58.200 0.302 0.000 1.033 208 S CB -0.863 62.481 63.200 0.240 0.000 0.887 208 S HN 0.151 nan 8.310 nan 0.000 0.447 209 V N 1.582 121.537 119.914 0.069 0.000 2.343 209 V HA -0.161 3.963 4.120 0.007 0.000 0.247 209 V C 2.619 178.700 176.094 -0.022 0.000 1.051 209 V CA 1.915 64.218 62.300 0.006 0.000 1.036 209 V CB -1.550 30.271 31.823 -0.004 0.000 0.654 209 V HN 0.596 nan 8.190 nan 0.000 0.451 210 G N -1.049 107.707 108.800 -0.073 0.000 2.421 210 G HA2 -0.276 3.688 3.960 0.007 0.000 0.216 210 G HA3 -0.276 3.688 3.960 0.007 0.000 0.216 210 G C 1.746 176.541 174.900 -0.175 0.000 1.171 210 G CA 1.343 46.345 45.100 -0.163 0.000 0.775 210 G HN 0.539 nan 8.290 nan 0.000 0.543 211 C N 0.355 119.571 119.300 -0.141 0.000 2.413 211 C HA 0.002 4.466 4.460 0.007 0.000 0.276 211 C C 2.847 177.890 174.990 0.089 0.000 1.248 211 C CA 0.579 59.576 59.018 -0.035 0.000 1.742 211 C CB -1.016 26.820 27.740 0.159 0.000 2.017 211 C HN 0.475 nan 8.230 nan 0.000 0.481 212 I N 0.282 120.930 120.570 0.130 0.000 2.202 212 I HA -0.261 3.913 4.170 0.007 0.000 0.242 212 I C 2.658 178.784 176.117 0.015 0.000 1.091 212 I CA 1.676 63.026 61.300 0.084 0.000 1.368 212 I CB -0.476 37.518 38.000 -0.011 0.000 1.058 212 I HN 0.359 nan 8.210 nan 0.000 0.410 213 M N 0.858 120.442 119.600 -0.026 0.000 2.108 213 M HA -0.234 4.250 4.480 0.007 0.000 0.261 213 M C 2.431 178.660 176.300 -0.118 0.000 1.066 213 M CA 2.249 57.519 55.300 -0.051 0.000 1.107 213 M CB -0.145 32.415 32.600 -0.066 0.000 1.356 213 M HN 0.263 nan 8.290 nan 0.000 0.406 214 A N 0.039 122.748 122.820 -0.186 0.000 1.883 214 A HA -0.273 4.051 4.320 0.007 0.000 0.217 214 A C 1.960 179.519 177.584 -0.042 0.000 1.186 214 A CA 2.207 54.116 52.037 -0.213 0.000 0.624 214 A CB -1.037 17.854 19.000 -0.182 0.000 0.822 214 A HN 0.737 nan 8.150 nan 0.000 0.444 215 E N -0.172 120.020 120.200 -0.013 0.000 2.110 215 E HA -0.153 4.201 4.350 0.007 0.000 0.193 215 E C 1.916 178.534 176.600 0.030 0.000 0.988 215 E CA 1.024 57.439 56.400 0.025 0.000 0.804 215 E CB -0.220 29.530 29.700 0.084 0.000 0.745 215 E HN 0.644 nan 8.360 nan 0.000 0.458 216 L N 0.426 121.664 121.223 0.024 0.000 2.083 216 L HA -0.201 4.143 4.340 0.007 0.000 0.209 216 L C 2.513 179.407 176.870 0.041 0.000 1.083 216 L CA 0.868 55.729 54.840 0.036 0.000 0.752 216 L CB -0.370 41.715 42.059 0.044 0.000 0.899 216 L HN 0.281 nan 8.230 nan 0.000 0.433 217 L N -0.631 120.603 121.223 0.018 0.000 2.131 217 L HA -0.118 4.225 4.340 0.007 0.000 0.206 217 L C 2.587 179.492 176.870 0.059 0.000 1.087 217 L CA 1.702 56.558 54.840 0.026 0.000 0.767 217 L CB -0.436 41.596 42.059 -0.046 0.000 0.917 217 L HN 0.429 nan 8.230 nan 0.000 0.441 218 T N -5.101 109.493 114.554 0.067 0.000 3.014 218 T HA 0.226 4.580 4.350 0.007 0.000 0.250 218 T C 1.488 176.205 174.700 0.028 0.000 1.060 218 T CA 0.511 62.645 62.100 0.057 0.000 1.040 218 T CB 0.782 69.684 68.868 0.057 0.000 0.971 218 T HN 0.377 nan 8.240 nan 0.000 0.497 219 G N 1.919 110.737 108.800 0.029 0.000 2.184 219 G HA2 -0.214 3.750 3.960 0.007 0.000 0.264 219 G HA3 -0.214 3.750 3.960 0.007 0.000 0.264 219 G C 0.081 174.989 174.900 0.013 0.000 0.975 219 G CA 0.042 45.157 45.100 0.025 0.000 0.642 219 G HN 0.692 nan 8.290 nan 0.000 0.536 220 R N 0.073 120.570 120.500 -0.006 0.000 2.807 220 R HA 0.531 4.875 4.340 0.007 0.000 0.276 220 R C -0.069 176.188 176.300 -0.072 0.000 0.979 220 R CA -0.413 55.664 56.100 -0.040 0.000 0.928 220 R CB 0.654 30.911 30.300 -0.072 0.000 1.191 220 R HN 0.141 nan 8.270 nan 0.000 0.471 221 T N 2.596 117.078 114.554 -0.120 0.000 2.905 221 T HA -0.057 4.297 4.350 0.007 0.000 0.299 221 T C 1.552 176.061 174.700 -0.319 0.000 1.024 221 T CA 0.004 61.966 62.100 -0.231 0.000 1.151 221 T CB 0.341 68.922 68.868 -0.477 0.000 0.987 221 T HN 0.358 nan 8.240 nan 0.000 0.535 222 L N 2.903 123.897 121.223 -0.382 0.000 2.044 222 L HA 0.233 4.577 4.340 0.007 0.000 0.205 222 L C 0.463 176.891 176.870 -0.737 0.000 1.075 222 L CA 1.703 56.171 54.840 -0.619 0.000 0.747 222 L CB -0.207 41.354 42.059 -0.829 0.000 0.903 222 L HN 0.641 nan 8.230 nan 0.000 0.435 223 F N 1.317 121.112 119.950 -0.258 0.000 2.471 223 F HA 0.406 4.937 4.527 0.006 0.000 0.318 223 F C -2.040 173.457 175.800 -0.504 0.000 1.308 223 F CA -2.682 55.171 58.000 -0.244 0.000 1.162 223 F CB -0.030 38.934 39.000 -0.061 0.000 1.383 223 F HN 0.046 nan 8.300 nan 0.000 0.552 224 P HA 0.131 nan 4.420 nan 0.000 0.230 224 P C 0.615 177.690 177.300 -0.376 0.000 1.791 224 P CA 0.269 62.608 63.100 -1.268 0.000 1.020 224 P CB 0.284 31.402 31.700 -0.970 0.000 1.977 225 G N 1.274 110.028 108.800 -0.077 0.000 2.483 225 G HA2 0.210 4.174 3.960 0.007 0.000 0.248 225 G HA3 0.210 4.174 3.960 0.007 0.000 0.248 225 G C 1.133 176.296 174.900 0.439 0.000 1.248 225 G CA -0.207 45.015 45.100 0.203 0.000 0.838 225 G HN 0.320 nan 8.290 nan 0.000 0.566 226 T N -1.901 112.852 114.554 0.331 0.000 3.113 226 T HA 0.213 4.567 4.350 0.007 0.000 0.256 226 T C 0.351 175.196 174.700 0.241 0.000 1.131 226 T CA 0.736 63.041 62.100 0.342 0.000 1.074 226 T CB -0.347 68.615 68.868 0.157 0.000 0.944 226 T HN 0.796 nan 8.240 nan 0.000 0.516 227 D N -2.054 118.461 120.400 0.192 0.000 2.764 227 D HA 0.151 4.795 4.640 0.007 0.000 0.293 227 D C 0.370 176.751 176.300 0.136 0.000 1.287 227 D CA -0.924 53.172 54.000 0.160 0.000 0.768 227 D CB 0.054 40.939 40.800 0.143 0.000 1.288 227 D HN -0.013 nan 8.370 nan 0.000 0.426 228 H N -0.526 118.542 119.070 -0.003 0.000 2.387 228 H HA -0.077 4.483 4.556 0.007 0.000 0.299 228 H C 1.325 176.639 175.328 -0.023 0.000 1.099 228 H CA 1.213 57.236 56.048 -0.042 0.000 1.315 228 H CB 0.160 29.839 29.762 -0.138 0.000 1.380 228 H HN 0.303 nan 8.280 nan 0.000 0.513 229 I N 0.797 121.438 120.570 0.118 0.000 2.333 229 I HA -0.162 4.012 4.170 0.007 0.000 0.246 229 I C 2.264 178.451 176.117 0.115 0.000 1.106 229 I CA 0.944 62.301 61.300 0.095 0.000 1.411 229 I CB -0.970 37.051 38.000 0.034 0.000 1.082 229 I HN 0.171 nan 8.210 nan 0.000 0.420 230 D N 0.780 121.241 120.400 0.102 0.000 2.133 230 D HA -0.295 4.349 4.640 0.007 0.000 0.195 230 D C 2.247 178.602 176.300 0.091 0.000 0.997 230 D CA 1.657 55.714 54.000 0.096 0.000 0.840 230 D CB 0.041 40.901 40.800 0.099 0.000 0.947 230 D HN 0.323 nan 8.370 nan 0.000 0.452 231 Q N -0.879 118.977 119.800 0.093 0.000 2.079 231 Q HA -0.131 4.213 4.340 0.007 0.000 0.200 231 Q C 2.196 178.201 176.000 0.007 0.000 0.974 231 Q CA 0.855 56.698 55.803 0.066 0.000 0.840 231 Q CB -0.201 28.580 28.738 0.072 0.000 0.898 231 Q HN 0.369 nan 8.270 nan 0.000 0.430 232 L N 1.246 122.496 121.223 0.044 0.000 2.043 232 L HA -0.226 4.118 4.340 0.007 0.000 0.212 232 L C 1.882 178.776 176.870 0.039 0.000 1.075 232 L CA 1.957 56.829 54.840 0.054 0.000 0.752 232 L CB -0.300 41.868 42.059 0.182 0.000 0.891 232 L HN 0.083 nan 8.230 nan 0.000 0.432 233 K N -0.843 119.601 120.400 0.073 0.000 2.097 233 K HA -0.122 4.202 4.320 0.007 0.000 0.205 233 K C 2.082 178.711 176.600 0.048 0.000 1.050 233 K CA 1.557 57.882 56.287 0.064 0.000 0.938 233 K CB -0.310 32.236 32.500 0.077 0.000 0.718 233 K HN 0.354 nan 8.250 nan 0.000 0.442 234 L N 0.814 122.070 121.223 0.054 0.000 2.042 234 L HA -0.219 4.125 4.340 0.007 0.000 0.210 234 L C 2.381 179.310 176.870 0.099 0.000 1.076 234 L CA 1.263 56.169 54.840 0.110 0.000 0.749 234 L CB -0.506 41.667 42.059 0.190 0.000 0.893 234 L HN 0.178 nan 8.230 nan 0.000 0.432 235 I N -0.257 120.207 120.570 -0.176 0.000 2.142 235 I HA -0.314 3.860 4.170 0.007 0.000 0.240 235 I C 2.411 178.525 176.117 -0.005 0.000 1.078 235 I CA 1.419 62.497 61.300 -0.371 0.000 1.343 235 I CB -0.232 37.483 38.000 -0.475 0.000 1.046 235 I HN 0.195 nan 8.210 nan 0.000 0.405 236 L N 0.236 121.463 121.223 0.008 0.000 2.201 236 L HA -0.179 4.165 4.340 0.007 0.000 0.212 236 L C 2.693 179.605 176.870 0.070 0.000 1.105 236 L CA 0.963 55.831 54.840 0.048 0.000 0.775 236 L CB -0.599 41.473 42.059 0.023 0.000 0.913 236 L HN 0.266 nan 8.230 nan 0.000 0.440 237 R N 0.472 121.014 120.500 0.070 0.000 2.096 237 R HA -0.198 4.146 4.340 0.007 0.000 0.235 237 R C 2.259 178.612 176.300 0.088 0.000 1.127 237 R CA 1.350 57.491 56.100 0.067 0.000 0.968 237 R CB -0.093 30.240 30.300 0.055 0.000 0.861 237 R HN 0.236 nan 8.270 nan 0.000 0.440 238 L N 0.356 121.660 121.223 0.135 0.000 2.068 238 L HA -0.038 4.306 4.340 0.007 0.000 0.204 238 L C 2.006 179.018 176.870 0.235 0.000 1.076 238 L CA 1.476 56.396 54.840 0.132 0.000 0.753 238 L CB 0.071 42.229 42.059 0.165 0.000 0.910 238 L HN 0.162 nan 8.230 nan 0.000 0.439 239 V N -2.481 117.595 119.914 0.270 0.000 3.650 239 V HA 0.587 4.711 4.120 0.007 0.000 0.271 239 V C 0.905 177.120 176.094 0.202 0.000 1.281 239 V CA 0.187 62.680 62.300 0.321 0.000 1.120 239 V CB -1.043 31.005 31.823 0.375 0.000 0.856 239 V HN 0.642 nan 8.190 nan 0.000 0.443 240 G N 1.070 109.956 108.800 0.142 0.000 2.690 240 G HA2 -0.023 3.941 3.960 0.007 0.000 0.686 240 G HA3 -0.023 3.941 3.960 0.007 0.000 0.686 240 G C -0.254 174.679 174.900 0.056 0.000 1.277 240 G CA -0.280 44.872 45.100 0.087 0.000 0.799 240 G HN 1.332 nan 8.290 nan 0.000 0.613 241 T N 0.236 114.804 114.554 0.023 0.000 2.868 241 T HA 0.639 4.993 4.350 0.007 0.000 0.292 241 T C -2.003 172.689 174.700 -0.013 0.000 1.028 241 T CA -0.797 61.299 62.100 -0.007 0.000 1.059 241 T CB 1.334 70.185 68.868 -0.028 0.000 0.991 241 T HN 0.582 nan 8.240 nan 0.000 0.531 242 P HA 0.341 nan 4.420 nan 0.000 0.271 242 P C 0.594 177.872 177.300 -0.037 0.000 1.216 242 P CA -0.211 62.864 63.100 -0.041 0.000 0.776 242 P CB 0.273 31.928 31.700 -0.076 0.000 0.881 243 G N 0.891 109.675 108.800 -0.026 0.000 2.508 243 G HA2 0.377 4.341 3.960 0.007 0.000 0.278 243 G HA3 0.377 4.341 3.960 0.007 0.000 0.278 243 G C 1.036 175.917 174.900 -0.032 0.000 1.389 243 G CA 0.000 45.086 45.100 -0.024 0.000 1.050 243 G HN 0.452 nan 8.290 nan 0.000 0.522 244 A N -1.194 121.610 122.820 -0.026 0.000 1.873 244 A HA -0.012 4.312 4.320 0.007 0.000 0.215 244 A C 2.069 179.636 177.584 -0.027 0.000 1.186 244 A CA 2.092 54.112 52.037 -0.027 0.000 0.616 244 A CB -0.774 18.214 19.000 -0.020 0.000 0.823 244 A HN 0.778 nan 8.150 nan 0.000 0.442 245 E N -0.683 119.504 120.200 -0.022 0.000 2.048 245 E HA -0.270 4.084 4.350 0.007 0.000 0.202 245 E C 1.876 178.458 176.600 -0.030 0.000 1.021 245 E CA 1.862 58.250 56.400 -0.021 0.000 0.825 245 E CB -0.236 29.455 29.700 -0.014 0.000 0.756 245 E HN 0.445 nan 8.360 nan 0.000 0.454 246 L N 0.510 121.712 121.223 -0.035 0.000 2.095 246 L HA -0.015 4.329 4.340 0.007 0.000 0.204 246 L C 2.211 179.039 176.870 -0.071 0.000 1.080 246 L CA 1.217 56.028 54.840 -0.050 0.000 0.759 246 L CB -0.407 41.624 42.059 -0.047 0.000 0.914 246 L HN 0.237 nan 8.230 nan 0.000 0.439 247 L N -0.407 120.774 121.223 -0.070 0.000 2.081 247 L HA -0.289 4.055 4.340 0.007 0.000 0.212 247 L C 2.558 179.384 176.870 -0.073 0.000 1.080 247 L CA 1.450 56.240 54.840 -0.083 0.000 0.754 247 L CB -0.504 41.511 42.059 -0.073 0.000 0.893 247 L HN 0.294 nan 8.230 nan 0.000 0.433 248 K N 0.225 120.593 120.400 -0.054 0.000 2.000 248 K HA -0.276 4.048 4.320 0.007 0.000 0.218 248 K C 1.960 178.527 176.600 -0.054 0.000 1.053 248 K CA 1.963 58.223 56.287 -0.045 0.000 0.946 248 K CB -0.340 32.139 32.500 -0.034 0.000 0.723 248 K HN 0.330 nan 8.250 nan 0.000 0.446 249 K N 0.611 120.975 120.400 -0.061 0.000 2.360 249 K HA -0.038 4.286 4.320 0.007 0.000 0.201 249 K C 0.846 177.384 176.600 -0.102 0.000 1.046 249 K CA 0.527 56.771 56.287 -0.072 0.000 0.945 249 K CB -0.236 32.221 32.500 -0.072 0.000 0.750 249 K HN 0.189 nan 8.250 nan 0.000 0.464 250 I N 0.609 121.110 120.570 -0.115 0.000 2.474 250 I HA -0.059 4.115 4.170 0.007 0.000 0.287 250 I C 0.889 176.948 176.117 -0.097 0.000 1.048 250 I CA 0.133 61.346 61.300 -0.146 0.000 1.383 250 I CB 1.690 39.573 38.000 -0.195 0.000 1.412 250 I HN -0.039 nan 8.210 nan 0.000 0.531 251 S N 2.035 117.686 115.700 -0.081 0.000 2.619 251 S HA 0.017 4.491 4.470 0.007 0.000 0.238 251 S C 0.662 175.270 174.600 0.013 0.000 1.068 251 S CA -0.184 58.004 58.200 -0.019 0.000 0.926 251 S CB 0.431 63.641 63.200 0.017 0.000 0.864 251 S HN 0.710 nan 8.310 nan 0.000 0.493 252 S N 2.224 117.934 115.700 0.017 0.000 2.516 252 S HA 0.091 4.565 4.470 0.007 0.000 0.282 252 S C 1.011 175.629 174.600 0.030 0.000 1.286 252 S CA -0.213 58.021 58.200 0.056 0.000 1.066 252 S CB 0.678 63.948 63.200 0.117 0.000 0.884 252 S HN 0.461 nan 8.310 nan 0.000 0.491 253 E N 3.467 123.692 120.200 0.041 0.000 2.208 253 E HA -0.071 4.283 4.350 0.007 0.000 0.193 253 E C 1.702 178.333 176.600 0.052 0.000 0.988 253 E CA 0.681 57.100 56.400 0.031 0.000 0.828 253 E CB -0.076 29.643 29.700 0.031 0.000 0.763 253 E HN 0.702 nan 8.360 nan 0.000 0.478 254 S N -0.350 115.401 115.700 0.085 0.000 2.377 254 S HA -0.028 4.446 4.470 0.007 0.000 0.223 254 S C 1.926 176.638 174.600 0.187 0.000 1.030 254 S CA 0.898 59.171 58.200 0.122 0.000 0.970 254 S CB -0.093 63.179 63.200 0.121 0.000 0.830 254 S HN 0.423 nan 8.310 nan 0.000 0.473 255 A N 2.207 125.153 122.820 0.210 0.000 1.859 255 A HA -0.160 4.164 4.320 0.007 0.000 0.217 255 A C 2.172 179.744 177.584 -0.021 0.000 1.198 255 A CA 1.577 53.702 52.037 0.146 0.000 0.629 255 A CB -0.737 18.184 19.000 -0.133 0.000 0.830 255 A HN 0.521 nan 8.150 nan 0.000 0.446 256 R N -0.857 119.607 120.500 -0.061 0.000 2.094 256 R HA -0.218 4.126 4.340 0.007 0.000 0.239 256 R C 2.219 178.504 176.300 -0.024 0.000 1.137 256 R CA 1.946 58.002 56.100 -0.074 0.000 0.943 256 R CB -0.632 29.636 30.300 -0.054 0.000 0.850 256 R HN 0.743 nan 8.270 nan 0.000 0.433 257 N N -0.639 118.080 118.700 0.033 0.000 2.104 257 N HA -0.226 4.518 4.740 0.007 0.000 0.190 257 N C 1.733 177.301 175.510 0.096 0.000 1.024 257 N CA 1.139 54.222 53.050 0.056 0.000 0.853 257 N CB -0.114 38.419 38.487 0.077 0.000 1.008 257 N HN 0.199 nan 8.380 nan 0.000 0.424 258 Y N 1.269 121.597 120.300 0.046 0.000 2.163 258 Y HA -0.041 4.513 4.550 0.007 0.000 0.288 258 Y C 1.837 177.760 175.900 0.038 0.000 1.136 258 Y CA 1.197 59.339 58.100 0.070 0.000 1.147 258 Y CB -0.385 38.170 38.460 0.158 0.000 0.987 258 Y HN 0.062 nan 8.280 nan 0.000 0.509 259 I N 0.406 120.872 120.570 -0.173 0.000 2.194 259 I HA -0.397 3.777 4.170 0.007 0.000 0.246 259 I C 2.249 178.221 176.117 -0.242 0.000 1.093 259 I CA 1.894 63.033 61.300 -0.269 0.000 1.355 259 I CB -0.494 37.385 38.000 -0.202 0.000 1.046 259 I HN 0.311 nan 8.210 nan 0.000 0.413 260 Q N 0.099 119.805 119.800 -0.156 0.000 2.437 260 Q HA -0.141 4.203 4.340 0.007 0.000 0.210 260 Q C 2.194 178.124 176.000 -0.117 0.000 0.972 260 Q CA 1.508 57.243 55.803 -0.112 0.000 0.903 260 Q CB -0.150 28.549 28.738 -0.065 0.000 0.967 260 Q HN 0.626 nan 8.270 nan 0.000 0.486 261 S N -0.513 115.087 115.700 -0.167 0.000 2.489 261 S HA -0.005 4.468 4.470 0.007 0.000 0.228 261 S C 0.668 175.174 174.600 -0.156 0.000 0.995 261 S CA -0.019 58.101 58.200 -0.133 0.000 0.934 261 S CB 0.101 63.242 63.200 -0.098 0.000 0.771 261 S HN 0.061 nan 8.310 nan 0.000 0.522 262 L N 2.969 124.059 121.223 -0.221 0.000 2.395 262 L HA 0.402 4.746 4.340 0.007 0.000 0.269 262 L C 0.476 177.289 176.870 -0.095 0.000 1.133 262 L CA 0.104 54.841 54.840 -0.173 0.000 0.812 262 L CB 0.534 42.464 42.059 -0.214 0.000 1.125 262 L HN 0.108 nan 8.230 nan 0.000 0.452 263 T N 3.017 117.535 114.554 -0.059 0.000 2.902 263 T HA 0.090 4.444 4.350 0.007 0.000 0.301 263 T C 0.309 174.989 174.700 -0.033 0.000 1.012 263 T CA -0.310 61.768 62.100 -0.037 0.000 1.151 263 T CB -0.016 68.839 68.868 -0.020 0.000 0.946 263 T HN 0.406 nan 8.240 nan 0.000 0.542 264 Q N 2.728 122.511 119.800 -0.028 0.000 2.300 264 Q HA 0.281 4.625 4.340 0.007 0.000 0.280 264 Q C -0.275 175.721 176.000 -0.008 0.000 1.033 264 Q CA 0.484 56.275 55.803 -0.021 0.000 0.903 264 Q CB 0.413 29.140 28.738 -0.019 0.000 1.195 264 Q HN 0.559 nan 8.270 nan 0.000 0.386 265 M N 4.045 123.645 119.600 0.000 0.000 2.395 265 M HA 0.447 4.931 4.480 0.007 0.000 0.307 265 M C -2.372 173.943 176.300 0.025 0.000 1.091 265 M CA -2.155 53.153 55.300 0.014 0.000 0.919 265 M CB 2.313 34.925 32.600 0.020 0.000 1.662 265 M HN 0.405 nan 8.290 nan 0.000 0.440 266 P HA 0.182 nan 4.420 nan 0.000 0.281 266 P C -1.255 176.085 177.300 0.068 0.000 1.249 266 P CA -0.554 62.570 63.100 0.041 0.000 0.810 266 P CB 0.762 32.482 31.700 0.033 0.000 1.008 267 K N 2.573 123.023 120.400 0.084 0.000 2.524 267 K HA 0.052 4.376 4.320 0.007 0.000 0.279 267 K C 0.214 176.903 176.600 0.148 0.000 0.993 267 K CA 0.167 56.537 56.287 0.139 0.000 1.030 267 K CB 0.006 32.581 32.500 0.125 0.000 0.891 267 K HN 0.410 nan 8.250 nan 0.000 0.488 268 M N 2.644 122.367 119.600 0.204 0.000 2.197 268 M HA 0.039 4.523 4.480 0.007 0.000 0.305 268 M C 0.638 177.098 176.300 0.267 0.000 1.162 268 M CA -0.444 54.959 55.300 0.172 0.000 1.099 268 M CB 0.426 33.083 32.600 0.096 0.000 1.430 268 M HN 0.576 nan 8.290 nan 0.000 0.481 269 N N 0.866 119.675 118.700 0.182 0.000 2.401 269 N HA 0.061 4.805 4.740 0.007 0.000 0.255 269 N C -0.114 175.572 175.510 0.293 0.000 1.110 269 N CA 0.159 53.329 53.050 0.201 0.000 0.949 269 N CB 0.373 38.920 38.487 0.099 0.000 1.110 269 N HN 0.443 nan 8.380 nan 0.000 0.490 270 F N 2.373 122.355 119.950 0.054 0.000 2.365 270 F HA 0.028 4.559 4.527 0.007 0.000 0.300 270 F C 2.217 178.101 175.800 0.140 0.000 1.090 270 F CA 0.619 58.695 58.000 0.127 0.000 1.408 270 F CB -0.667 38.455 39.000 0.204 0.000 1.060 270 F HN 0.670 nan 8.300 nan 0.000 0.534 271 A N -0.073 122.904 122.820 0.263 0.000 2.014 271 A HA -0.166 4.158 4.320 0.007 0.000 0.218 271 A C 1.893 179.527 177.584 0.083 0.000 1.163 271 A CA 1.602 53.734 52.037 0.158 0.000 0.652 271 A CB -0.918 18.142 19.000 0.100 0.000 0.808 271 A HN 0.463 nan 8.150 nan 0.000 0.449 272 N N -0.695 118.034 118.700 0.048 0.000 2.463 272 N HA 0.037 4.781 4.740 0.007 0.000 0.181 272 N C 1.176 176.621 175.510 -0.108 0.000 1.078 272 N CA 0.633 53.673 53.050 -0.016 0.000 0.902 272 N CB 0.271 38.752 38.487 -0.010 0.000 0.970 272 N HN 0.297 nan 8.380 nan 0.000 0.451 273 V N -0.150 119.641 119.914 -0.205 0.000 2.426 273 V HA 0.008 4.132 4.120 0.007 0.000 0.242 273 V C 0.209 175.948 176.094 -0.593 0.000 1.036 273 V CA 1.067 63.054 62.300 -0.521 0.000 1.044 273 V CB -0.197 31.076 31.823 -0.916 0.000 0.688 273 V HN 0.142 nan 8.190 nan 0.000 0.462 274 F N 1.438 121.339 119.950 -0.082 0.000 2.611 274 F HA 0.425 4.956 4.527 0.006 0.000 0.321 274 F C 0.367 176.142 175.800 -0.040 0.000 1.208 274 F CA -0.892 57.064 58.000 -0.074 0.000 1.249 274 F CB -0.467 38.487 39.000 -0.076 0.000 1.514 274 F HN -0.070 nan 8.300 nan 0.000 0.561 275 I N 1.768 122.363 120.570 0.040 0.000 2.821 275 I HA -0.002 4.172 4.170 0.007 0.000 0.294 275 I C 1.475 177.621 176.117 0.048 0.000 1.210 275 I CA 0.774 62.092 61.300 0.031 0.000 1.430 275 I CB -0.590 37.406 38.000 -0.006 0.000 1.356 275 I HN 0.780 nan 8.210 nan 0.000 0.563 276 G N 4.506 113.333 108.800 0.044 0.000 2.199 276 G HA2 -0.189 3.775 3.960 0.007 0.000 0.254 276 G HA3 -0.189 3.775 3.960 0.007 0.000 0.254 276 G C 0.511 175.437 174.900 0.044 0.000 0.982 276 G CA 0.173 45.295 45.100 0.038 0.000 0.632 276 G HN 1.063 nan 8.290 nan 0.000 0.529 277 A N 0.079 122.933 122.820 0.057 0.000 2.351 277 A HA 0.580 4.904 4.320 0.007 0.000 0.257 277 A C 0.735 178.328 177.584 0.014 0.000 1.087 277 A CA 0.338 52.396 52.037 0.035 0.000 0.798 277 A CB 0.259 19.273 19.000 0.023 0.000 1.033 277 A HN 0.781 nan 8.150 nan 0.000 0.488 278 N N 1.576 120.281 118.700 0.009 0.000 2.294 278 N HA -0.023 4.721 4.740 0.007 0.000 0.263 278 N C -1.728 173.757 175.510 -0.042 0.000 1.281 278 N CA -1.038 52.019 53.050 0.011 0.000 0.846 278 N CB 0.703 39.237 38.487 0.079 0.000 1.061 278 N HN 0.208 nan 8.380 nan 0.000 0.478 279 P HA -0.137 nan 4.420 nan 0.000 0.218 279 P C 1.398 178.671 177.300 -0.045 0.000 1.146 279 P CA 0.578 63.667 63.100 -0.018 0.000 0.813 279 P CB 0.329 32.032 31.700 0.004 0.000 0.778 280 L N -0.828 120.371 121.223 -0.039 0.000 2.109 280 L HA -0.025 4.319 4.340 0.007 0.000 0.207 280 L C 2.363 179.056 176.870 -0.295 0.000 1.086 280 L CA 1.598 56.430 54.840 -0.013 0.000 0.760 280 L CB -1.979 40.155 42.059 0.125 0.000 0.910 280 L HN -0.087 nan 8.230 nan 0.000 0.437 281 A N -0.928 121.515 122.820 -0.629 0.000 1.877 281 A HA -0.150 4.174 4.320 0.007 0.000 0.216 281 A C 2.389 179.649 177.584 -0.540 0.000 1.186 281 A CA 1.851 53.272 52.037 -1.026 0.000 0.620 281 A CB -0.890 17.532 19.000 -0.963 0.000 0.822 281 A HN 0.194 nan 8.150 nan 0.000 0.443 282 V N 0.663 120.392 119.914 -0.309 0.000 2.332 282 V HA -0.314 3.810 4.120 0.007 0.000 0.248 282 V C 2.330 178.344 176.094 -0.134 0.000 1.055 282 V CA 2.625 64.838 62.300 -0.144 0.000 1.038 282 V CB -0.934 30.890 31.823 0.003 0.000 0.651 282 V HN 0.780 nan 8.190 nan 0.000 0.450 283 D N -0.433 119.889 120.400 -0.132 0.000 2.117 283 D HA -0.200 4.444 4.640 0.007 0.000 0.197 283 D C 1.964 178.172 176.300 -0.153 0.000 0.987 283 D CA 1.246 55.198 54.000 -0.080 0.000 0.829 283 D CB -0.113 40.724 40.800 0.061 0.000 0.961 283 D HN 0.272 nan 8.370 nan 0.000 0.460 284 L N 0.252 121.261 121.223 -0.356 0.000 2.046 284 L HA -0.031 4.313 4.340 0.007 0.000 0.208 284 L C 2.105 178.813 176.870 -0.270 0.000 1.077 284 L CA 1.471 56.007 54.840 -0.506 0.000 0.747 284 L CB -0.666 40.963 42.059 -0.717 0.000 0.896 284 L HN 0.228 nan 8.230 nan 0.000 0.432 285 L N -0.703 120.373 121.223 -0.244 0.000 2.079 285 L HA -0.243 4.101 4.340 0.007 0.000 0.210 285 L C 2.473 179.332 176.870 -0.017 0.000 1.081 285 L CA 1.487 56.256 54.840 -0.119 0.000 0.752 285 L CB -0.548 41.431 42.059 -0.134 0.000 0.896 285 L HN 0.372 nan 8.230 nan 0.000 0.433 286 E N -0.051 120.034 120.200 -0.191 0.000 2.204 286 E HA -0.216 4.137 4.350 0.007 0.000 0.195 286 E C 1.978 178.466 176.600 -0.186 0.000 0.990 286 E CA 0.928 57.069 56.400 -0.432 0.000 0.821 286 E CB 0.076 29.427 29.700 -0.581 0.000 0.750 286 E HN 0.473 nan 8.360 nan 0.000 0.477 287 K N -0.344 119.991 120.400 -0.108 0.000 2.314 287 K HA 0.091 4.415 4.320 0.007 0.000 0.198 287 K C 1.902 178.508 176.600 0.010 0.000 1.045 287 K CA 0.506 56.772 56.287 -0.034 0.000 0.988 287 K CB 0.216 32.708 32.500 -0.014 0.000 0.783 287 K HN 0.113 nan 8.250 nan 0.000 0.484 288 M N 0.288 119.883 119.600 -0.008 0.000 2.325 288 M HA 0.043 4.527 4.480 0.007 0.000 0.265 288 M C 0.721 177.043 176.300 0.037 0.000 1.094 288 M CA 0.896 56.208 55.300 0.020 0.000 1.161 288 M CB 0.274 32.852 32.600 -0.037 0.000 1.358 288 M HN -0.016 nan 8.290 nan 0.000 0.446 289 L N 1.860 123.077 121.223 -0.009 0.000 2.536 289 L HA 0.253 4.597 4.340 0.007 0.000 0.242 289 L C -0.927 176.093 176.870 0.250 0.000 1.280 289 L CA -0.562 54.231 54.840 -0.078 0.000 1.221 289 L CB -0.237 41.788 42.059 -0.056 0.000 1.449 289 L HN -0.055 nan 8.230 nan 0.000 0.405 290 V N 1.231 121.361 119.914 0.360 0.000 2.448 290 V HA 0.144 4.268 4.120 0.007 0.000 0.295 290 V C 0.881 177.201 176.094 0.377 0.000 1.025 290 V CA -0.532 61.947 62.300 0.299 0.000 0.859 290 V CB 2.546 34.469 31.823 0.167 0.000 0.988 290 V HN 0.375 nan 8.190 nan 0.000 0.431 291 L N 2.508 123.889 121.223 0.263 0.000 2.046 291 L HA 0.011 4.355 4.340 0.007 0.000 0.208 291 L C 1.295 178.194 176.870 0.049 0.000 1.077 291 L CA 1.658 56.570 54.840 0.120 0.000 0.747 291 L CB -0.363 41.728 42.059 0.054 0.000 0.896 291 L HN 0.758 nan 8.230 nan 0.000 0.432 292 D N -1.348 119.086 120.400 0.057 0.000 2.346 292 D HA -0.013 4.631 4.640 0.007 0.000 0.260 292 D C 1.350 177.682 176.300 0.053 0.000 1.252 292 D CA 0.642 54.658 54.000 0.026 0.000 0.895 292 D CB 1.090 41.902 40.800 0.020 0.000 1.097 292 D HN 0.276 nan 8.370 nan 0.000 0.489 293 S N 2.649 118.371 115.700 0.037 0.000 2.453 293 S HA -0.136 4.338 4.470 0.007 0.000 0.231 293 S C 1.126 175.761 174.600 0.059 0.000 1.005 293 S CA 0.416 58.656 58.200 0.066 0.000 0.949 293 S CB 0.127 63.359 63.200 0.054 0.000 0.774 293 S HN 0.402 nan 8.310 nan 0.000 0.510 294 D N 1.973 122.394 120.400 0.034 0.000 2.219 294 D HA 0.002 4.646 4.640 0.007 0.000 0.205 294 D C 1.659 177.983 176.300 0.040 0.000 0.970 294 D CA 0.994 55.011 54.000 0.029 0.000 0.851 294 D CB -0.093 40.715 40.800 0.013 0.000 0.943 294 D HN 0.568 nan 8.370 nan 0.000 0.488 295 K N 0.019 120.447 120.400 0.048 0.000 2.367 295 K HA 0.129 4.453 4.320 0.007 0.000 0.194 295 K C 0.789 177.429 176.600 0.067 0.000 1.027 295 K CA -0.291 56.026 56.287 0.050 0.000 1.075 295 K CB 0.829 33.355 32.500 0.042 0.000 0.845 295 K HN -0.061 nan 8.250 nan 0.000 0.529 296 R N 1.658 122.211 120.500 0.090 0.000 2.623 296 R HA 0.108 4.452 4.340 0.007 0.000 0.271 296 R C 0.165 176.522 176.300 0.094 0.000 1.043 296 R CA -0.058 56.108 56.100 0.110 0.000 1.083 296 R CB 0.378 30.769 30.300 0.151 0.000 0.974 296 R HN 0.100 nan 8.270 nan 0.000 0.436 297 I N 2.424 123.048 120.570 0.090 0.000 2.692 297 I HA -0.047 4.127 4.170 0.007 0.000 0.284 297 I C 0.678 176.857 176.117 0.104 0.000 1.159 297 I CA 0.412 61.765 61.300 0.089 0.000 1.423 297 I CB 0.850 38.899 38.000 0.082 0.000 1.380 297 I HN 0.732 nan 8.210 nan 0.000 0.580 298 T N 3.642 118.257 114.554 0.103 0.000 2.881 298 T HA 0.463 4.817 4.350 0.007 0.000 0.278 298 T C 1.035 175.804 174.700 0.115 0.000 0.982 298 T CA -0.186 61.987 62.100 0.121 0.000 0.989 298 T CB 1.628 70.562 68.868 0.110 0.000 1.058 298 T HN 0.696 nan 8.240 nan 0.000 0.529 299 A N 1.007 123.904 122.820 0.128 0.000 1.902 299 A HA 0.186 4.510 4.320 0.007 0.000 0.217 299 A C 2.633 180.240 177.584 0.038 0.000 1.181 299 A CA 1.835 53.902 52.037 0.050 0.000 0.623 299 A CB -1.565 17.428 19.000 -0.011 0.000 0.818 299 A HN 1.247 nan 8.150 nan 0.000 0.443 300 A N -0.814 122.047 122.820 0.068 0.000 1.902 300 A HA -0.209 4.115 4.320 0.007 0.000 0.217 300 A C 2.119 179.750 177.584 0.077 0.000 1.181 300 A CA 1.730 53.810 52.037 0.072 0.000 0.623 300 A CB -0.588 18.464 19.000 0.086 0.000 0.818 300 A HN 0.638 nan 8.150 nan 0.000 0.443 301 Q N -0.636 119.216 119.800 0.086 0.000 2.061 301 Q HA -0.134 4.210 4.340 0.007 0.000 0.204 301 Q C 2.408 178.480 176.000 0.120 0.000 0.984 301 Q CA 1.679 57.539 55.803 0.095 0.000 0.846 301 Q CB -0.405 28.390 28.738 0.095 0.000 0.902 301 Q HN 0.690 nan 8.270 nan 0.000 0.421 302 A N 0.569 123.464 122.820 0.126 0.000 1.930 302 A HA -0.137 4.186 4.320 0.007 0.000 0.217 302 A C 2.029 179.768 177.584 0.260 0.000 1.175 302 A CA 0.954 53.111 52.037 0.201 0.000 0.627 302 A CB -0.649 18.452 19.000 0.167 0.000 0.815 302 A HN 0.317 nan 8.150 nan 0.000 0.443 303 L N -0.921 120.346 121.223 0.073 0.000 2.189 303 L HA -0.218 4.125 4.340 0.007 0.000 0.214 303 L C 2.656 179.423 176.870 -0.172 0.000 1.097 303 L CA 1.061 55.898 54.840 -0.006 0.000 0.764 303 L CB -0.314 41.742 42.059 -0.006 0.000 0.900 303 L HN 0.445 nan 8.230 nan 0.000 0.436 304 A N -2.506 120.217 122.820 -0.161 0.000 2.275 304 A HA -0.024 4.300 4.320 0.007 0.000 0.212 304 A C 0.891 178.484 177.584 0.015 0.000 1.201 304 A CA -0.185 51.691 52.037 -0.269 0.000 0.843 304 A CB -0.567 18.391 19.000 -0.070 0.000 0.873 304 A HN 0.306 nan 8.150 nan 0.000 0.492 305 H N -0.062 119.066 119.070 0.096 0.000 2.815 305 H HA 0.298 4.858 4.556 0.007 0.000 0.350 305 H C 1.416 176.804 175.328 0.099 0.000 1.080 305 H CA 0.496 56.611 56.048 0.112 0.000 1.433 305 H CB 1.236 31.086 29.762 0.146 0.000 1.432 305 H HN 0.168 nan 8.280 nan 0.000 0.592 306 A N 5.034 127.724 122.820 -0.216 0.000 2.019 306 A HA -0.245 4.079 4.320 0.007 0.000 0.219 306 A C 1.965 179.607 177.584 0.097 0.000 1.164 306 A CA 1.131 53.130 52.037 -0.062 0.000 0.644 306 A CB -0.832 18.070 19.000 -0.163 0.000 0.805 306 A HN 0.847 nan 8.150 nan 0.000 0.449 307 Y N -0.319 120.029 120.300 0.081 0.000 2.241 307 Y HA -0.203 4.351 4.550 0.006 0.000 0.286 307 Y C 0.973 176.719 175.900 -0.257 0.000 1.166 307 Y CA 1.327 59.320 58.100 -0.179 0.000 1.203 307 Y CB -0.373 37.803 38.460 -0.473 0.000 0.977 307 Y HN 0.323 nan 8.280 nan 0.000 0.529 308 F N -0.934 119.132 119.950 0.194 0.000 2.645 308 F HA 0.374 4.905 4.527 0.007 0.000 0.300 308 F C 2.011 177.867 175.800 0.093 0.000 1.115 308 F CA 0.072 58.149 58.000 0.128 0.000 1.355 308 F CB -1.002 38.160 39.000 0.270 0.000 1.026 308 F HN 0.057 nan 8.300 nan 0.000 0.536 309 A N 0.677 123.591 122.820 0.156 0.000 1.986 309 A HA -0.289 4.035 4.320 0.007 0.000 0.220 309 A C 2.296 179.882 177.584 0.003 0.000 1.171 309 A CA 2.195 54.291 52.037 0.098 0.000 0.640 309 A CB -0.695 18.329 19.000 0.040 0.000 0.811 309 A HN 0.592 nan 8.150 nan 0.000 0.451 310 Q N -2.717 117.011 119.800 -0.120 0.000 2.432 310 Q HA -0.033 4.311 4.340 0.007 0.000 0.205 310 Q C 1.184 176.851 176.000 -0.556 0.000 0.945 310 Q CA 1.268 56.859 55.803 -0.355 0.000 0.924 310 Q CB -0.280 28.163 28.738 -0.491 0.000 1.016 310 Q HN 0.715 nan 8.270 nan 0.000 0.503 311 Y N -0.487 119.721 120.300 -0.154 0.000 2.498 311 Y HA 0.202 4.756 4.550 0.007 0.000 0.259 311 Y C 0.747 176.413 175.900 -0.391 0.000 1.086 311 Y CA -0.505 57.353 58.100 -0.403 0.000 1.287 311 Y CB 0.132 38.134 38.460 -0.764 0.000 1.146 311 Y HN 0.237 nan 8.280 nan 0.000 0.523 312 H N 1.831 120.844 119.070 -0.095 0.000 3.004 312 H HA 0.063 4.623 4.556 0.006 0.000 0.316 312 H C -0.952 174.437 175.328 0.103 0.000 1.014 312 H CA 0.478 56.600 56.048 0.124 0.000 1.454 312 H CB 0.579 30.469 29.762 0.214 0.000 1.472 312 H HN 0.146 nan 8.280 nan 0.000 0.571 313 D N 7.561 127.900 120.400 -0.102 0.000 2.386 313 D HA 0.145 4.789 4.640 0.007 0.000 0.247 313 D C -2.005 174.186 176.300 -0.181 0.000 1.336 313 D CA -2.117 51.769 54.000 -0.190 0.000 0.976 313 D CB 1.723 42.513 40.800 -0.016 0.000 1.257 313 D HN 0.314 nan 8.370 nan 0.000 0.570 314 P HA -0.016 nan 4.420 nan 0.000 0.228 314 P C 0.175 177.478 177.300 0.005 0.000 1.151 314 P CA 0.637 63.683 63.100 -0.090 0.000 0.770 314 P CB 0.548 32.206 31.700 -0.072 0.000 0.786 315 D N -0.699 119.695 120.400 -0.009 0.000 2.349 315 D HA 0.008 4.652 4.640 0.007 0.000 0.214 315 D C 0.300 176.621 176.300 0.036 0.000 1.063 315 D CA 0.565 54.577 54.000 0.019 0.000 0.847 315 D CB 0.066 40.870 40.800 0.007 0.000 0.933 315 D HN 0.143 nan 8.370 nan 0.000 0.513 316 D N 0.534 120.965 120.400 0.052 0.000 2.908 316 D HA 0.079 4.723 4.640 0.007 0.000 0.361 316 D C -0.662 175.703 176.300 0.109 0.000 1.416 316 D CA -0.108 53.933 54.000 0.069 0.000 0.796 316 D CB 0.116 40.956 40.800 0.067 0.000 1.185 316 D HN -0.108 nan 8.370 nan 0.000 0.451 317 E N 1.484 121.757 120.200 0.122 0.000 3.374 317 E HA 0.236 4.590 4.350 0.007 0.000 0.223 317 E C -2.362 174.337 176.600 0.165 0.000 1.210 317 E CA -1.571 54.919 56.400 0.150 0.000 0.987 317 E CB 1.472 31.268 29.700 0.160 0.000 1.322 317 E HN 0.208 nan 8.360 nan 0.000 0.404 318 P HA 0.028 nan 4.420 nan 0.000 0.272 318 P C -0.015 177.468 177.300 0.305 0.000 1.230 318 P CA -0.309 62.922 63.100 0.219 0.000 0.788 318 P CB 0.958 32.779 31.700 0.202 0.000 0.949 319 V N -2.028 118.026 119.914 0.233 0.000 3.193 319 V HA 0.889 5.012 4.120 0.007 0.000 0.320 319 V C -0.094 176.070 176.094 0.116 0.000 1.112 319 V CA -1.298 61.093 62.300 0.151 0.000 1.026 319 V CB 0.952 32.820 31.823 0.074 0.000 1.128 319 V HN 0.713 nan 8.190 nan 0.000 0.452 320 A N 0.677 123.390 122.820 -0.179 0.000 2.293 320 A HA 0.617 4.941 4.320 0.007 0.000 0.302 320 A C -0.150 177.420 177.584 -0.024 0.000 1.119 320 A CA -0.594 51.252 52.037 -0.318 0.000 0.823 320 A CB 0.111 18.673 19.000 -0.729 0.000 1.097 320 A HN 0.957 nan 8.150 nan 0.000 0.491 321 D N 1.279 121.704 120.400 0.041 0.000 2.378 321 D HA 0.284 4.928 4.640 0.007 0.000 0.238 321 D C -2.271 174.175 176.300 0.244 0.000 1.180 321 D CA -0.448 53.623 54.000 0.119 0.000 0.895 321 D CB -0.145 40.710 40.800 0.092 0.000 1.192 321 D HN 0.215 nan 8.370 nan 0.000 0.438 322 P HA 0.004 nan 4.420 nan 0.000 0.266 322 P C -0.816 176.630 177.300 0.242 0.000 1.195 322 P CA 0.145 63.348 63.100 0.172 0.000 0.768 322 P CB 0.153 31.918 31.700 0.109 0.000 0.838 323 Y N 2.720 122.978 120.300 -0.070 0.000 2.345 323 Y HA 0.273 4.827 4.550 0.007 0.000 0.331 323 Y C -0.352 175.485 175.900 -0.106 0.000 0.959 323 Y CA -1.408 56.520 58.100 -0.287 0.000 1.204 323 Y CB 0.605 38.739 38.460 -0.545 0.000 1.135 323 Y HN 0.254 nan 8.280 nan 0.000 0.477 324 D N 5.216 125.392 120.400 -0.373 0.000 2.344 324 D HA 0.074 4.718 4.640 0.007 0.000 0.253 324 D C -0.231 175.806 176.300 -0.438 0.000 1.255 324 D CA 0.336 54.171 54.000 -0.274 0.000 0.894 324 D CB 0.842 41.587 40.800 -0.091 0.000 1.067 324 D HN 0.800 nan 8.370 nan 0.000 0.492 325 Q N 1.758 121.323 119.800 -0.391 0.000 2.189 325 Q HA 0.041 4.385 4.340 0.007 0.000 0.221 325 Q C 1.582 177.370 176.000 -0.352 0.000 0.848 325 Q CA -0.198 55.342 55.803 -0.439 0.000 1.007 325 Q CB 0.412 28.921 28.738 -0.382 0.000 1.116 325 Q HN 0.484 nan 8.270 nan 0.000 0.481 326 S N 0.543 116.165 115.700 -0.131 0.000 2.442 326 S HA -0.201 4.273 4.470 0.007 0.000 0.236 326 S C 1.740 176.337 174.600 -0.006 0.000 1.007 326 S CA 0.800 58.960 58.200 -0.066 0.000 0.965 326 S CB -0.743 62.456 63.200 -0.001 0.000 0.773 326 S HN 0.621 nan 8.310 nan 0.000 0.504 327 F N 2.085 122.100 119.950 0.108 0.000 2.307 327 F HA 0.098 4.629 4.527 0.007 0.000 0.301 327 F C 1.991 177.955 175.800 0.275 0.000 1.076 327 F CA 0.997 59.153 58.000 0.260 0.000 1.383 327 F CB -0.665 38.624 39.000 0.483 0.000 1.055 327 F HN 0.076 nan 8.300 nan 0.000 0.526 328 E N 0.778 120.619 120.200 -0.599 0.000 2.204 328 E HA -0.105 4.249 4.350 0.007 0.000 0.195 328 E C 1.820 178.376 176.600 -0.072 0.000 0.990 328 E CA 1.209 57.362 56.400 -0.413 0.000 0.821 328 E CB -0.282 29.118 29.700 -0.500 0.000 0.750 328 E HN 0.507 nan 8.360 nan 0.000 0.477 329 S N 0.071 115.753 115.700 -0.031 0.000 2.577 329 S HA 0.118 4.592 4.470 0.007 0.000 0.219 329 S C 0.746 175.390 174.600 0.073 0.000 0.962 329 S CA -0.276 57.932 58.200 0.014 0.000 0.921 329 S CB 0.740 63.929 63.200 -0.019 0.000 0.789 329 S HN 0.074 nan 8.310 nan 0.000 0.497 330 R N 1.841 122.438 120.500 0.161 0.000 2.486 330 R HA 0.284 4.628 4.340 0.007 0.000 0.286 330 R C -1.472 174.960 176.300 0.221 0.000 0.999 330 R CA -0.359 55.833 56.100 0.153 0.000 0.993 330 R CB 0.570 30.962 30.300 0.154 0.000 1.084 330 R HN 0.028 nan 8.270 nan 0.000 0.487 331 D N 4.601 125.051 120.400 0.084 0.000 2.440 331 D HA 0.333 4.977 4.640 0.007 0.000 0.239 331 D C -0.643 175.616 176.300 -0.068 0.000 1.084 331 D CA -0.199 53.858 54.000 0.095 0.000 0.843 331 D CB 1.413 42.251 40.800 0.064 0.000 1.097 331 D HN 0.326 nan 8.370 nan 0.000 0.531 332 L N 1.242 122.382 121.223 -0.138 0.000 2.327 332 L HA 0.533 4.877 4.340 0.007 0.000 0.258 332 L C 0.117 176.881 176.870 -0.177 0.000 1.024 332 L CA -1.066 53.519 54.840 -0.425 0.000 0.825 332 L CB 1.755 43.093 42.059 -1.203 0.000 1.386 332 L HN 0.042 nan 8.230 nan 0.000 0.417 333 L N 0.837 121.959 121.223 -0.168 0.000 2.466 333 L HA 0.279 4.623 4.340 0.007 0.000 0.257 333 L C 1.356 178.250 176.870 0.040 0.000 1.189 333 L CA -0.338 54.486 54.840 -0.027 0.000 0.813 333 L CB 0.578 42.608 42.059 -0.049 0.000 1.118 333 L HN 0.562 nan 8.230 nan 0.000 0.471 334 I N 0.252 120.891 120.570 0.116 0.000 2.163 334 I HA -0.282 3.892 4.170 0.007 0.000 0.243 334 I C 1.552 177.717 176.117 0.079 0.000 1.085 334 I CA 1.539 62.944 61.300 0.175 0.000 1.347 334 I CB -0.215 37.860 38.000 0.126 0.000 1.044 334 I HN 0.763 nan 8.210 nan 0.000 0.408 335 D N 0.428 120.818 120.400 -0.015 0.000 2.310 335 D HA -0.133 4.511 4.640 0.007 0.000 0.212 335 D C 2.070 178.310 176.300 -0.100 0.000 0.965 335 D CA 0.842 54.795 54.000 -0.079 0.000 0.879 335 D CB 0.000 40.753 40.800 -0.079 0.000 0.921 335 D HN 0.427 nan 8.370 nan 0.000 0.510 336 E N -0.846 119.279 120.200 -0.126 0.000 2.042 336 E HA -0.084 4.270 4.350 0.007 0.000 0.189 336 E C 1.960 178.431 176.600 -0.215 0.000 0.974 336 E CA 0.374 56.640 56.400 -0.223 0.000 0.806 336 E CB -0.190 29.301 29.700 -0.348 0.000 0.769 336 E HN 0.388 nan 8.360 nan 0.000 0.451 337 W N 1.966 123.193 121.300 -0.120 0.000 2.304 337 W HA -0.254 4.410 4.660 0.006 0.000 0.315 337 W C 2.541 179.007 176.519 -0.088 0.000 1.233 337 W CA 1.129 58.395 57.345 -0.133 0.000 1.261 337 W CB -0.030 29.423 29.460 -0.010 0.000 1.150 337 W HN 0.050 nan 8.180 nan 0.000 0.494 338 K N 0.228 120.671 120.400 0.072 0.000 2.057 338 K HA -0.219 4.105 4.320 0.007 0.000 0.207 338 K C 2.308 178.894 176.600 -0.023 0.000 1.049 338 K CA 1.817 57.931 56.287 -0.289 0.000 0.931 338 K CB -0.494 31.601 32.500 -0.675 0.000 0.714 338 K HN 0.006 nan 8.250 nan 0.000 0.440 339 S N -0.053 115.629 115.700 -0.030 0.000 2.387 339 S HA -0.070 4.404 4.470 0.007 0.000 0.226 339 S C 1.858 176.501 174.600 0.073 0.000 1.026 339 S CA 0.618 58.825 58.200 0.011 0.000 0.972 339 S CB -0.190 62.979 63.200 -0.052 0.000 0.814 339 S HN 0.280 nan 8.310 nan 0.000 0.477 340 L N 1.829 123.063 121.223 0.019 0.000 2.046 340 L HA -0.015 4.329 4.340 0.007 0.000 0.208 340 L C 2.741 179.768 176.870 0.262 0.000 1.077 340 L CA 2.011 56.864 54.840 0.023 0.000 0.747 340 L CB -1.669 40.197 42.059 -0.322 0.000 0.896 340 L HN 0.335 nan 8.230 nan 0.000 0.432 341 T N -1.976 112.797 114.554 0.365 0.000 2.746 341 T HA -0.257 4.097 4.350 0.007 0.000 0.267 341 T C 1.772 176.651 174.700 0.298 0.000 1.039 341 T CA 1.471 63.868 62.100 0.494 0.000 1.142 341 T CB -0.490 68.796 68.868 0.697 0.000 0.866 341 T HN 0.250 nan 8.240 nan 0.000 0.444 342 Y N 2.431 122.730 120.300 -0.000 0.000 2.165 342 Y HA -0.208 4.346 4.550 0.006 0.000 0.286 342 Y C 2.094 177.901 175.900 -0.155 0.000 1.155 342 Y CA 1.521 59.396 58.100 -0.375 0.000 1.164 342 Y CB -0.415 37.742 38.460 -0.505 0.000 0.978 342 Y HN 0.180 nan 8.280 nan 0.000 0.513 343 D N -0.213 120.200 120.400 0.021 0.000 2.144 343 D HA -0.157 4.487 4.640 0.007 0.000 0.199 343 D C 1.971 178.268 176.300 -0.006 0.000 0.984 343 D CA 1.339 55.330 54.000 -0.014 0.000 0.834 343 D CB -0.158 40.681 40.800 0.064 0.000 0.955 343 D HN 0.482 nan 8.370 nan 0.000 0.465 344 E N 0.531 120.776 120.200 0.074 0.000 2.150 344 E HA -0.071 4.283 4.350 0.007 0.000 0.193 344 E C 2.447 179.085 176.600 0.063 0.000 0.985 344 E CA 0.226 56.681 56.400 0.093 0.000 0.814 344 E CB -0.062 29.715 29.700 0.128 0.000 0.752 344 E HN 0.170 nan 8.360 nan 0.000 0.466 345 V N 1.827 121.730 119.914 -0.017 0.000 2.295 345 V HA -0.220 3.904 4.120 0.007 0.000 0.246 345 V C 2.364 178.430 176.094 -0.047 0.000 1.049 345 V CA 1.177 63.451 62.300 -0.044 0.000 1.024 345 V CB -0.307 31.435 31.823 -0.135 0.000 0.648 345 V HN 0.223 nan 8.190 nan 0.000 0.447 346 I N 1.126 121.574 120.570 -0.203 0.000 2.439 346 I HA -0.111 4.063 4.170 0.007 0.000 0.251 346 I C 2.438 178.531 176.117 -0.040 0.000 1.139 346 I CA 1.966 63.148 61.300 -0.196 0.000 1.438 346 I CB -0.936 36.813 38.000 -0.418 0.000 1.085 346 I HN 0.529 nan 8.210 nan 0.000 0.427 347 S N 0.064 115.765 115.700 0.001 0.000 2.603 347 S HA -0.029 4.445 4.470 0.007 0.000 0.220 347 S C 0.722 175.365 174.600 0.072 0.000 0.967 347 S CA -0.421 57.798 58.200 0.032 0.000 0.920 347 S CB -0.879 62.340 63.200 0.032 0.000 0.773 347 S HN 0.244 nan 8.310 nan 0.000 0.529 348 F N 2.725 122.671 119.950 -0.006 0.000 2.572 348 F HA 0.428 4.959 4.527 0.007 0.000 0.370 348 F C -0.386 175.426 175.800 0.020 0.000 1.103 348 F CA -0.259 57.751 58.000 0.016 0.000 1.286 348 F CB 0.634 39.651 39.000 0.029 0.000 1.105 348 F HN -0.080 nan 8.300 nan 0.000 0.583 349 V N 8.177 127.528 119.914 -0.939 0.000 2.483 349 V HA 0.351 4.475 4.120 0.007 0.000 0.297 349 V C -1.956 173.515 176.094 -1.039 0.000 1.027 349 V CA -1.585 60.307 62.300 -0.680 0.000 0.855 349 V CB 1.626 33.249 31.823 -0.333 0.000 0.995 349 V HN 0.719 nan 8.190 nan 0.000 0.424 350 P HA 0.322 nan 4.420 nan 0.000 0.272 350 P C -2.722 174.485 177.300 -0.154 0.000 1.230 350 P CA -1.291 61.655 63.100 -0.256 0.000 0.788 350 P CB -0.098 31.635 31.700 0.055 0.000 0.949 351 P HA 0.240 nan 4.420 nan 0.000 0.271 351 P C -2.146 175.150 177.300 -0.005 0.000 1.218 351 P CA -1.263 61.831 63.100 -0.010 0.000 0.780 351 P CB -1.181 30.549 31.700 0.051 0.000 0.901 352 P HA 0.106 nan 4.420 nan 0.000 0.269 352 P C -0.114 177.190 177.300 0.007 0.000 1.209 352 P CA -0.030 63.065 63.100 -0.008 0.000 0.776 352 P CB 0.648 32.342 31.700 -0.012 0.000 0.876 353 L N 2.075 123.301 121.223 0.004 0.000 2.672 353 L HA 0.201 4.544 4.340 0.007 0.000 0.238 353 L C 0.585 177.460 176.870 0.007 0.000 1.392 353 L CA 0.670 55.516 54.840 0.009 0.000 1.238 353 L CB -0.819 41.242 42.059 0.003 0.000 1.548 353 L HN 0.449 nan 8.230 nan 0.000 0.423 354 D N 0.000 120.404 120.400 0.007 0.000 6.856 354 D HA 0.000 4.644 4.640 0.007 0.000 0.175 354 D CA 0.000 54.002 54.000 0.004 0.000 0.868 354 D CB 0.000 40.800 40.800 0.000 0.000 0.688 354 D HN 0.000 nan 8.370 nan 0.000 0.683