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 1wbn_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 DQ 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 0.000 176.629 176.600 0.048 0.000 1.382 4 E CA 0.000 56.419 56.400 0.032 0.000 0.976 4 E CB 0.000 29.721 29.700 0.034 0.000 0.812 5 R N 2.950 123.491 120.500 0.067 0.000 2.340 5 R HA 0.335 4.680 4.340 0.007 0.000 0.300 5 R C -2.043 174.321 176.300 0.106 0.000 1.069 5 R CA -1.135 55.033 56.100 0.112 0.000 0.984 5 R CB 0.745 31.123 30.300 0.131 0.000 1.003 5 R HN 0.177 nan 8.270 nan 0.000 0.459 6 P HA 0.147 nan 4.420 nan 0.000 0.276 6 P C -0.876 176.479 177.300 0.092 0.000 1.261 6 P CA -0.422 62.680 63.100 0.003 0.000 0.800 6 P CB 0.782 32.383 31.700 -0.164 0.000 1.066 7 T N 0.964 115.529 114.554 0.018 0.000 2.856 7 T HA 0.398 4.752 4.350 0.007 0.000 0.292 7 T C -0.210 174.535 174.700 0.075 0.000 0.980 7 T CA 0.180 62.354 62.100 0.124 0.000 1.091 7 T CB -0.122 68.789 68.868 0.072 0.000 0.936 7 T HN 0.123 nan 8.240 nan 0.000 0.503 8 F N 2.918 122.887 119.950 0.031 0.000 2.422 8 F HA 0.541 5.071 4.527 0.006 0.000 0.333 8 F C 0.055 175.943 175.800 0.147 0.000 1.095 8 F CA -1.322 56.699 58.000 0.035 0.000 1.038 8 F CB 0.926 39.911 39.000 -0.025 0.000 1.156 8 F HN 0.549 nan 8.300 nan 0.000 0.483 9 Y N -0.049 120.329 120.300 0.132 0.000 2.562 9 Y HA 0.843 5.396 4.550 0.005 0.000 0.343 9 Y C -0.866 175.127 175.900 0.156 0.000 1.025 9 Y CA -1.999 56.173 58.100 0.120 0.000 1.082 9 Y CB 1.123 39.623 38.460 0.066 0.000 1.264 9 Y HN 0.515 nan 8.280 nan 0.000 0.478 10 R N 1.922 122.498 120.500 0.127 0.000 2.668 10 R HA 0.581 4.926 4.340 0.007 0.000 0.279 10 R C -1.221 175.140 176.300 0.101 0.000 0.976 10 R CA -1.043 55.101 56.100 0.073 0.000 0.978 10 R CB 2.021 32.395 30.300 0.123 0.000 1.133 10 R HN 0.945 nan 8.270 nan 0.000 0.484 11 Q N 0.121 119.986 119.800 0.108 0.000 2.527 11 Q HA 0.281 4.625 4.340 0.007 0.000 0.280 11 Q C -1.611 174.492 176.000 0.172 0.000 0.977 11 Q CA -0.987 54.896 55.803 0.133 0.000 0.837 11 Q CB 1.989 30.798 28.738 0.119 0.000 1.454 11 Q HN 0.588 nan 8.270 nan 0.000 0.387 12 E N 2.343 122.627 120.200 0.140 0.000 2.216 12 E HA 0.540 4.894 4.350 0.007 0.000 0.279 12 E C -1.368 175.298 176.600 0.111 0.000 0.997 12 E CA -0.697 55.798 56.400 0.157 0.000 0.817 12 E CB 1.009 30.779 29.700 0.116 0.000 1.096 12 E HN 0.589 nan 8.360 nan 0.000 0.393 13 L N 4.689 125.997 121.223 0.142 0.000 2.518 13 L HA 0.330 4.675 4.340 0.007 0.000 0.262 13 L C -0.958 175.978 176.870 0.109 0.000 0.982 13 L CA -0.812 54.055 54.840 0.046 0.000 0.873 13 L CB 1.145 43.114 42.059 -0.149 0.000 1.198 13 L HN 0.693 nan 8.230 nan 0.000 0.427 14 N N 2.018 120.765 118.700 0.078 0.000 2.771 14 N HA -0.192 4.553 4.740 0.007 0.000 0.249 14 N C -0.074 175.492 175.510 0.094 0.000 1.069 14 N CA 0.752 53.849 53.050 0.078 0.000 0.688 14 N CB -1.030 37.504 38.487 0.079 0.000 0.928 14 N HN 0.699 nan 8.380 nan 0.000 0.551 15 K N -3.319 117.131 120.400 0.085 0.000 3.130 15 K HA -0.235 4.089 4.320 0.007 0.000 0.282 15 K C -0.426 176.227 176.600 0.088 0.000 1.145 15 K CA 1.643 57.974 56.287 0.073 0.000 0.831 15 K CB -1.959 30.569 32.500 0.048 0.000 1.226 15 K HN 0.783 nan 8.250 nan 0.000 0.478 16 T N -2.091 112.553 114.554 0.149 0.000 2.848 16 T HA 0.636 4.990 4.350 0.007 0.000 0.285 16 T C -0.032 174.828 174.700 0.266 0.000 0.995 16 T CA -1.134 61.064 62.100 0.163 0.000 0.970 16 T CB 1.511 70.492 68.868 0.188 0.000 0.976 16 T HN 0.012 nan 8.240 nan 0.000 0.441 17 I N 2.990 123.653 120.570 0.154 0.000 2.416 17 I HA 0.279 4.454 4.170 0.007 0.000 0.288 17 I C -0.711 175.538 176.117 0.219 0.000 1.051 17 I CA -0.713 60.708 61.300 0.203 0.000 1.375 17 I CB 0.395 38.463 38.000 0.114 0.000 1.407 17 I HN 0.757 nan 8.210 nan 0.000 0.516 18 W N 5.341 126.707 121.300 0.110 0.000 2.417 18 W HA 0.437 5.102 4.660 0.009 0.000 0.315 18 W C 0.112 176.687 176.519 0.093 0.000 1.045 18 W CA -0.544 56.911 57.345 0.183 0.000 1.221 18 W CB 0.892 30.436 29.460 0.140 0.000 1.309 18 W HN 0.385 nan 8.180 nan 0.000 0.453 19 E N 2.948 123.338 120.200 0.317 0.000 2.141 19 E HA 0.434 4.789 4.350 0.007 0.000 0.259 19 E C -0.692 175.965 176.600 0.095 0.000 0.883 19 E CA -0.666 55.839 56.400 0.174 0.000 0.744 19 E CB 1.565 31.391 29.700 0.210 0.000 1.150 19 E HN 0.328 nan 8.360 nan 0.000 0.420 20 V N 0.664 120.520 119.914 -0.098 0.000 3.040 20 V HA 0.679 4.803 4.120 0.007 0.000 0.312 20 V C -2.873 172.800 176.094 -0.702 0.000 1.115 20 V CA -3.087 58.967 62.300 -0.410 0.000 0.998 20 V CB 2.006 33.738 31.823 -0.152 0.000 1.042 20 V HN 0.339 nan 8.190 nan 0.000 0.433 21 P HA 0.231 nan 4.420 nan 0.000 0.269 21 P C 0.495 177.614 177.300 -0.300 0.000 1.209 21 P CA 0.135 62.663 63.100 -0.953 0.000 0.776 21 P CB 0.447 31.560 31.700 -0.978 0.000 0.876 22 E N 2.564 122.667 120.200 -0.162 0.000 2.160 22 E HA -0.269 4.085 4.350 0.007 0.000 0.195 22 E C 1.838 178.371 176.600 -0.112 0.000 0.991 22 E CA 0.922 57.304 56.400 -0.030 0.000 0.810 22 E CB -0.272 29.365 29.700 -0.106 0.000 0.742 22 E HN 0.503 nan 8.360 nan 0.000 0.466 23 R N 0.734 121.057 120.500 -0.296 0.000 2.139 23 R HA -0.169 4.175 4.340 0.007 0.000 0.243 23 R C 0.205 176.286 176.300 -0.365 0.000 1.145 23 R CA 1.093 56.951 56.100 -0.403 0.000 0.976 23 R CB -0.718 29.205 30.300 -0.629 0.000 0.866 23 R HN 0.109 nan 8.270 nan 0.000 0.449 24 Y N 1.934 122.221 120.300 -0.022 0.000 2.365 24 Y HA 0.309 4.862 4.550 0.006 0.000 0.340 24 Y C 0.372 176.361 175.900 0.149 0.000 1.016 24 Y CA -0.576 57.548 58.100 0.039 0.000 1.196 24 Y CB 0.909 39.386 38.460 0.029 0.000 1.167 24 Y HN 0.033 nan 8.280 nan 0.000 0.509 25 Q N 1.819 121.799 119.800 0.301 0.000 2.433 25 Q HA 0.354 4.698 4.340 0.007 0.000 0.279 25 Q C -0.254 175.882 176.000 0.226 0.000 1.105 25 Q CA -0.888 55.067 55.803 0.253 0.000 0.815 25 Q CB 1.936 30.795 28.738 0.202 0.000 1.403 25 Q HN 0.757 nan 8.270 nan 0.000 0.435 26 N N 0.050 118.846 118.700 0.160 0.000 2.758 26 N HA -0.183 4.561 4.740 0.007 0.000 0.248 26 N C -0.751 174.802 175.510 0.070 0.000 1.076 26 N CA 0.289 53.399 53.050 0.101 0.000 0.696 26 N CB -1.563 36.981 38.487 0.095 0.000 0.979 26 N HN 0.374 nan 8.380 nan 0.000 0.550 27 L N 0.560 121.813 121.223 0.049 0.000 2.601 27 L HA 0.089 4.433 4.340 0.007 0.000 0.277 27 L C 0.987 177.789 176.870 -0.113 0.000 1.219 27 L CA 1.018 55.815 54.840 -0.071 0.000 0.915 27 L CB 0.536 42.487 42.059 -0.179 0.000 1.160 27 L HN 0.256 nan 8.230 nan 0.000 0.494 28 S N 4.809 120.435 115.700 -0.124 0.000 2.672 28 S HA 0.608 5.082 4.470 0.007 0.000 0.291 28 S C -2.627 171.896 174.600 -0.127 0.000 1.145 28 S CA -1.447 56.689 58.200 -0.106 0.000 1.013 28 S CB 1.310 64.486 63.200 -0.041 0.000 1.017 28 S HN 0.272 nan 8.310 nan 0.000 0.487 29 P HA 0.064 nan 4.420 nan 0.000 0.264 29 P C 0.039 177.320 177.300 -0.032 0.000 1.183 29 P CA 0.029 63.069 63.100 -0.100 0.000 0.763 29 P CB 0.762 32.425 31.700 -0.063 0.000 0.807 30 V N 1.889 121.804 119.914 0.003 0.000 3.480 30 V HA 0.462 4.587 4.120 0.007 0.000 0.263 30 V C 0.734 176.855 176.094 0.046 0.000 1.442 30 V CA 0.877 63.194 62.300 0.028 0.000 1.053 30 V CB 0.478 32.328 31.823 0.045 0.000 0.846 30 V HN 0.824 nan 8.190 nan 0.000 0.440 31 G N -0.061 108.779 108.800 0.066 0.000 2.387 31 G HA2 0.552 4.516 3.960 0.007 0.000 0.294 31 G HA3 0.552 4.516 3.960 0.007 0.000 0.294 31 G C -1.114 173.843 174.900 0.095 0.000 1.509 31 G CA 0.341 45.484 45.100 0.071 0.000 0.806 31 G HN 0.532 nan 8.290 nan 0.000 0.546 32 S N -1.275 114.472 115.700 0.078 0.000 2.615 32 S HA 0.977 5.452 4.470 0.007 0.000 0.269 32 S C -0.072 174.562 174.600 0.058 0.000 1.161 32 S CA 0.215 58.463 58.200 0.079 0.000 0.817 32 S CB 1.688 64.940 63.200 0.087 0.000 1.131 32 S HN 2.501 nan 8.310 nan 0.000 0.467 33 G N -0.465 108.365 108.800 0.049 0.000 2.634 33 G HA2 0.699 4.664 3.960 0.007 0.000 0.309 33 G HA3 0.699 4.664 3.960 0.007 0.000 0.309 33 G C 0.559 175.464 174.900 0.009 0.000 1.299 33 G CA -0.049 45.075 45.100 0.041 0.000 0.798 33 G HN 1.423 nan 8.290 nan 0.000 0.490 34 A N -1.301 121.513 122.820 -0.010 0.000 2.019 34 A HA 0.098 4.422 4.320 0.007 0.000 0.219 34 A C 1.716 179.165 177.584 -0.225 0.000 1.164 34 A CA 1.673 53.636 52.037 -0.123 0.000 0.644 34 A CB -0.526 18.374 19.000 -0.167 0.000 0.805 34 A HN 0.589 nan 8.150 nan 0.000 0.449 35 Y N -1.039 119.234 120.300 -0.046 0.000 2.482 35 Y HA 0.392 4.946 4.550 0.007 0.000 0.270 35 Y C 1.346 177.177 175.900 -0.115 0.000 1.152 35 Y CA 0.499 58.547 58.100 -0.087 0.000 1.292 35 Y CB 0.479 38.875 38.460 -0.106 0.000 1.070 35 Y HN 0.480 nan 8.280 nan 0.000 0.528 36 G N -1.222 107.587 108.800 0.015 0.000 2.337 36 G HA2 0.315 4.280 3.960 0.007 0.000 0.298 36 G HA3 0.315 4.280 3.960 0.007 0.000 0.298 36 G C -1.498 173.401 174.900 -0.002 0.000 1.335 36 G CA -0.938 44.129 45.100 -0.055 0.000 0.875 36 G HN -0.142 nan 8.290 nan 0.000 0.579 37 S N -1.446 114.255 115.700 0.002 0.000 2.566 37 S HA 0.823 5.298 4.470 0.007 0.000 0.298 37 S C -0.420 174.360 174.600 0.300 0.000 1.083 37 S CA -0.697 57.607 58.200 0.174 0.000 0.978 37 S CB 1.986 65.372 63.200 0.310 0.000 1.073 37 S HN 1.094 nan 8.310 nan 0.000 0.491 38 V N 1.054 121.150 119.914 0.305 0.000 2.604 38 V HA 0.515 4.640 4.120 0.007 0.000 0.305 38 V C -0.589 175.600 176.094 0.158 0.000 1.043 38 V CA -0.719 61.752 62.300 0.285 0.000 0.888 38 V CB 1.338 33.256 31.823 0.160 0.000 0.995 38 V HN 1.031 nan 8.190 nan 0.000 0.429 39 C N 3.319 122.642 119.300 0.038 0.000 2.417 39 C HA 0.839 5.304 4.460 0.007 0.000 0.324 39 C C 0.916 175.876 174.990 -0.051 0.000 1.240 39 C CA -0.790 58.122 59.018 -0.176 0.000 1.632 39 C CB 1.079 28.478 27.740 -0.569 0.000 2.241 39 C HN 1.059 nan 8.230 nan 0.000 0.499 40 A N 2.311 125.116 122.820 -0.026 0.000 2.425 40 A HA 0.723 5.048 4.320 0.007 0.000 0.242 40 A C 0.182 177.777 177.584 0.017 0.000 1.077 40 A CA 0.440 52.488 52.037 0.017 0.000 0.781 40 A CB 0.170 19.192 19.000 0.037 0.000 1.020 40 A HN 1.713 nan 8.150 nan 0.000 0.494 41 A N 0.348 123.212 122.820 0.073 0.000 2.601 41 A HA 0.612 4.936 4.320 0.007 0.000 0.291 41 A C -1.376 176.343 177.584 0.224 0.000 1.075 41 A CA -0.488 51.629 52.037 0.132 0.000 0.671 41 A CB 0.602 19.669 19.000 0.111 0.000 1.277 41 A HN 1.491 nan 8.150 nan 0.000 0.417 42 F N 1.607 121.631 119.950 0.124 0.000 2.388 42 F HA 0.529 5.060 4.527 0.007 0.000 0.358 42 F C -0.178 175.723 175.800 0.168 0.000 1.122 42 F CA -0.667 57.406 58.000 0.121 0.000 1.056 42 F CB 1.118 40.161 39.000 0.071 0.000 1.155 42 F HN 0.568 nan 8.300 nan 0.000 0.461 43 D N 3.919 124.047 120.400 -0.453 0.000 2.339 43 D HA 0.102 4.746 4.640 0.007 0.000 0.241 43 D C 1.116 177.004 176.300 -0.686 0.000 1.183 43 D CA 0.048 53.837 54.000 -0.351 0.000 0.859 43 D CB 1.237 42.003 40.800 -0.057 0.000 1.067 43 D HN 0.652 nan 8.370 nan 0.000 0.484 44 T N 1.114 115.432 114.554 -0.393 0.000 3.023 44 T HA -0.044 4.310 4.350 0.007 0.000 0.266 44 T C 1.548 176.158 174.700 -0.149 0.000 1.093 44 T CA 0.608 62.605 62.100 -0.171 0.000 1.129 44 T CB 0.006 68.892 68.868 0.031 0.000 0.899 44 T HN 0.296 nan 8.240 nan 0.000 0.491 45 K N 1.127 121.402 120.400 -0.209 0.000 2.155 45 K HA -0.011 4.314 4.320 0.007 0.000 0.203 45 K C 2.462 178.993 176.600 -0.115 0.000 1.052 45 K CA 1.640 57.839 56.287 -0.147 0.000 0.948 45 K CB -0.046 32.355 32.500 -0.165 0.000 0.728 45 K HN 0.637 nan 8.250 nan 0.000 0.448 46 T N -4.447 110.016 114.554 -0.153 0.000 2.990 46 T HA 0.207 4.561 4.350 0.007 0.000 0.250 46 T C 1.388 176.035 174.700 -0.089 0.000 1.041 46 T CA 0.455 62.498 62.100 -0.096 0.000 1.010 46 T CB 0.834 69.660 68.868 -0.069 0.000 1.003 46 T HN 0.258 nan 8.240 nan 0.000 0.499 47 G N 1.384 110.068 108.800 -0.194 0.000 2.176 47 G HA2 -0.189 3.775 3.960 0.007 0.000 0.253 47 G HA3 -0.189 3.775 3.960 0.007 0.000 0.253 47 G C -0.090 174.731 174.900 -0.131 0.000 0.979 47 G CA 0.126 45.173 45.100 -0.089 0.000 0.641 47 G HN 0.613 nan 8.290 nan 0.000 0.530 48 L N 0.724 121.790 121.223 -0.262 0.000 2.375 48 L HA 0.502 4.846 4.340 0.007 0.000 0.271 48 L C 1.119 177.935 176.870 -0.090 0.000 1.107 48 L CA -0.965 53.833 54.840 -0.069 0.000 0.806 48 L CB 0.838 42.904 42.059 0.013 0.000 1.146 48 L HN 0.121 nan 8.230 nan 0.000 0.447 49 R N 2.274 122.857 120.500 0.139 0.000 2.347 49 R HA 0.378 4.723 4.340 0.007 0.000 0.304 49 R C -0.608 175.768 176.300 0.127 0.000 1.072 49 R CA -0.344 55.863 56.100 0.179 0.000 0.980 49 R CB 0.775 31.194 30.300 0.198 0.000 0.986 49 R HN 0.464 nan 8.270 nan 0.000 0.448 50 V N -0.965 119.006 119.914 0.095 0.000 3.001 50 V HA 0.918 5.043 4.120 0.007 0.000 0.314 50 V C -0.473 175.643 176.094 0.036 0.000 1.099 50 V CA -1.213 61.116 62.300 0.049 0.000 0.989 50 V CB 2.032 33.863 31.823 0.013 0.000 1.040 50 V HN 0.793 nan 8.190 nan 0.000 0.434 51 A N 2.005 124.831 122.820 0.009 0.000 2.337 51 A HA 0.887 5.211 4.320 0.007 0.000 0.329 51 A C -0.685 176.888 177.584 -0.018 0.000 1.146 51 A CA -0.689 51.356 52.037 0.013 0.000 0.800 51 A CB 1.593 20.612 19.000 0.031 0.000 1.220 51 A HN 1.473 nan 8.150 nan 0.000 0.472 52 V N 2.483 122.423 119.914 0.043 0.000 2.407 52 V HA 0.400 4.525 4.120 0.007 0.000 0.291 52 V C -0.041 176.196 176.094 0.238 0.000 1.018 52 V CA -0.666 61.696 62.300 0.103 0.000 0.842 52 V CB 1.405 33.358 31.823 0.215 0.000 0.996 52 V HN 0.934 nan 8.190 nan 0.000 0.426 53 K N 4.348 124.793 120.400 0.075 0.000 2.213 53 K HA 0.456 4.781 4.320 0.007 0.000 0.270 53 K C -0.308 176.167 176.600 -0.209 0.000 1.002 53 K CA -0.614 55.681 56.287 0.014 0.000 0.868 53 K CB 1.061 33.528 32.500 -0.055 0.000 1.093 53 K HN 0.646 nan 8.250 nan 0.000 0.454 54 K N 6.697 126.836 120.400 -0.436 0.000 2.264 54 K HA 0.200 4.524 4.320 0.007 0.000 0.277 54 K C -0.499 175.745 176.600 -0.594 0.000 1.067 54 K CA -0.544 55.195 56.287 -0.912 0.000 0.900 54 K CB 0.520 32.087 32.500 -1.556 0.000 1.124 54 K HN 0.653 nan 8.250 nan 0.000 0.469 55 L N 3.241 124.148 121.223 -0.526 0.000 2.499 55 L HA 0.018 4.362 4.340 0.007 0.000 0.273 55 L C 0.241 176.897 176.870 -0.356 0.000 1.195 55 L CA 0.094 54.719 54.840 -0.359 0.000 0.882 55 L CB 0.865 42.717 42.059 -0.345 0.000 1.133 55 L HN 0.657 nan 8.230 nan 0.000 0.483 56 S N 4.267 119.824 115.700 -0.240 0.000 2.422 56 S HA 0.149 4.623 4.470 0.007 0.000 0.283 56 S C 0.074 174.549 174.600 -0.209 0.000 1.163 56 S CA -0.689 57.380 58.200 -0.218 0.000 1.054 56 S CB 0.251 63.353 63.200 -0.164 0.000 0.967 56 S HN 0.712 nan 8.310 nan 0.000 0.499 57 R N 1.676 122.040 120.500 -0.227 0.000 2.800 57 R HA -0.154 4.190 4.340 0.007 0.000 0.246 57 R C -2.253 173.903 176.300 -0.239 0.000 0.855 57 R CA 0.249 56.222 56.100 -0.212 0.000 0.631 57 R CB -1.700 28.505 30.300 -0.159 0.000 1.386 57 R HN 0.390 nan 8.270 nan 0.000 0.519 58 P HA -0.132 nan 4.420 nan 0.000 0.226 58 P C 0.107 177.027 177.300 -0.633 0.000 1.153 58 P CA 1.082 63.806 63.100 -0.626 0.000 0.777 58 P CB 0.090 31.148 31.700 -1.071 0.000 0.794 59 F N -0.459 119.456 119.950 -0.057 0.000 2.850 59 F HA 0.343 4.875 4.527 0.007 0.000 0.329 59 F C 2.228 177.997 175.800 -0.051 0.000 1.182 59 F CA -0.935 57.047 58.000 -0.031 0.000 1.270 59 F CB -0.687 38.273 39.000 -0.067 0.000 0.979 59 F HN -0.138 nan 8.300 nan 0.000 0.506 60 Q N 1.384 121.181 119.800 -0.004 0.000 2.014 60 Q HA -0.162 4.182 4.340 0.007 0.000 0.207 60 Q C 0.701 176.642 176.000 -0.099 0.000 0.993 60 Q CA 2.071 57.796 55.803 -0.131 0.000 0.850 60 Q CB 0.175 28.684 28.738 -0.381 0.000 0.916 60 Q HN 0.469 nan 8.270 nan 0.000 0.417 61 S N -2.337 113.315 115.700 -0.080 0.000 2.667 61 S HA 0.347 4.822 4.470 0.007 0.000 0.292 61 S C 1.045 175.724 174.600 0.131 0.000 1.126 61 S CA -0.803 57.402 58.200 0.009 0.000 0.881 61 S CB 0.577 63.755 63.200 -0.037 0.000 1.132 61 S HN 0.324 nan 8.310 nan 0.000 0.492 62 I N 0.738 121.394 120.570 0.144 0.000 2.087 62 I HA -0.238 3.937 4.170 0.007 0.000 0.240 62 I C 2.375 178.560 176.117 0.113 0.000 1.054 62 I CA 1.943 63.364 61.300 0.201 0.000 1.311 62 I CB -0.333 37.792 38.000 0.208 0.000 1.024 62 I HN 0.689 nan 8.210 nan 0.000 0.402 63 I N -0.224 120.419 120.570 0.122 0.000 2.286 63 I HA -0.339 3.835 4.170 0.007 0.000 0.248 63 I C 2.515 178.674 176.117 0.071 0.000 1.115 63 I CA 1.618 62.964 61.300 0.077 0.000 1.392 63 I CB -0.167 37.906 38.000 0.122 0.000 1.065 63 I HN 0.252 nan 8.210 nan 0.000 0.418 64 H N 0.679 119.753 119.070 0.007 0.000 2.293 64 H HA -0.086 4.474 4.556 0.007 0.000 0.300 64 H C 2.258 177.574 175.328 -0.019 0.000 1.082 64 H CA 1.710 57.774 56.048 0.026 0.000 1.308 64 H CB -0.616 29.149 29.762 0.006 0.000 1.375 64 H HN 0.421 nan 8.280 nan 0.000 0.495 65 A N 0.869 123.789 122.820 0.167 0.000 1.917 65 A HA -0.274 4.050 4.320 0.007 0.000 0.219 65 A C 2.227 179.792 177.584 -0.031 0.000 1.182 65 A CA 2.101 54.284 52.037 0.243 0.000 0.633 65 A CB -0.558 18.717 19.000 0.458 0.000 0.819 65 A HN 0.436 nan 8.150 nan 0.000 0.448 66 K N -0.928 119.183 120.400 -0.481 0.000 2.097 66 K HA -0.163 4.161 4.320 0.007 0.000 0.205 66 K C 2.268 178.663 176.600 -0.340 0.000 1.050 66 K CA 1.391 57.119 56.287 -0.932 0.000 0.938 66 K CB -0.139 31.623 32.500 -1.229 0.000 0.718 66 K HN 0.301 nan 8.250 nan 0.000 0.442 67 R N 0.132 120.507 120.500 -0.208 0.000 2.091 67 R HA -0.092 4.253 4.340 0.007 0.000 0.238 67 R C 2.142 178.364 176.300 -0.131 0.000 1.136 67 R CA 2.289 58.292 56.100 -0.161 0.000 0.959 67 R CB -0.609 29.576 30.300 -0.191 0.000 0.856 67 R HN 0.243 nan 8.270 nan 0.000 0.437 68 T N -0.494 114.007 114.554 -0.088 0.000 2.674 68 T HA -0.191 4.163 4.350 0.007 0.000 0.265 68 T C 1.343 176.048 174.700 0.008 0.000 1.039 68 T CA 1.563 63.620 62.100 -0.071 0.000 1.150 68 T CB -0.556 68.236 68.868 -0.125 0.000 0.864 68 T HN 0.302 nan 8.240 nan 0.000 0.427 69 Y N 2.313 122.591 120.300 -0.036 0.000 2.151 69 Y HA -0.212 4.343 4.550 0.007 0.000 0.284 69 Y C 2.659 178.456 175.900 -0.173 0.000 1.166 69 Y CA 1.708 59.780 58.100 -0.047 0.000 1.163 69 Y CB -0.251 38.200 38.460 -0.015 0.000 0.974 69 Y HN 0.013 nan 8.280 nan 0.000 0.511 70 R N 0.413 120.812 120.500 -0.168 0.000 2.066 70 R HA -0.212 4.132 4.340 0.007 0.000 0.232 70 R C 2.380 178.609 176.300 -0.117 0.000 1.131 70 R CA 1.923 57.956 56.100 -0.111 0.000 0.955 70 R CB -0.517 29.854 30.300 0.119 0.000 0.851 70 R HN 0.560 nan 8.270 nan 0.000 0.432 71 E N 0.192 120.315 120.200 -0.128 0.000 2.110 71 E HA -0.210 4.144 4.350 0.007 0.000 0.193 71 E C 1.999 178.518 176.600 -0.135 0.000 0.988 71 E CA 1.044 57.365 56.400 -0.133 0.000 0.804 71 E CB -0.041 29.563 29.700 -0.160 0.000 0.745 71 E HN 0.274 nan 8.360 nan 0.000 0.458 72 L N 1.380 122.508 121.223 -0.158 0.000 1.994 72 L HA -0.154 4.190 4.340 0.007 0.000 0.208 72 L C 2.302 179.085 176.870 -0.144 0.000 1.071 72 L CA 1.683 56.439 54.840 -0.141 0.000 0.745 72 L CB -0.609 41.387 42.059 -0.104 0.000 0.892 72 L HN 0.030 nan 8.230 nan 0.000 0.431 73 R N -0.379 119.954 120.500 -0.279 0.000 2.113 73 R HA -0.207 4.137 4.340 0.007 0.000 0.244 73 R C 2.220 178.545 176.300 0.041 0.000 1.142 73 R CA 1.890 57.883 56.100 -0.178 0.000 0.953 73 R CB -1.574 28.468 30.300 -0.431 0.000 0.860 73 R HN 0.399 nan 8.270 nan 0.000 0.438 74 L N 0.721 121.952 121.223 0.013 0.000 2.012 74 L HA -0.165 4.179 4.340 0.007 0.000 0.210 74 L C 2.054 178.890 176.870 -0.056 0.000 1.073 74 L CA 1.717 56.535 54.840 -0.037 0.000 0.748 74 L CB -0.581 41.453 42.059 -0.041 0.000 0.891 74 L HN 0.056 nan 8.230 nan 0.000 0.431 75 L N -0.548 120.646 121.223 -0.049 0.000 2.179 75 L HA -0.089 4.256 4.340 0.007 0.000 0.208 75 L C 2.422 179.305 176.870 0.022 0.000 1.096 75 L CA 1.431 56.248 54.840 -0.039 0.000 0.779 75 L CB -0.960 41.051 42.059 -0.080 0.000 0.922 75 L HN 0.268 nan 8.230 nan 0.000 0.443 76 K N -1.535 118.900 120.400 0.058 0.000 2.280 76 K HA -0.186 4.138 4.320 0.007 0.000 0.202 76 K C 1.917 178.604 176.600 0.146 0.000 1.047 76 K CA 0.869 57.247 56.287 0.151 0.000 0.942 76 K CB -0.100 32.505 32.500 0.177 0.000 0.739 76 K HN 0.416 nan 8.250 nan 0.000 0.457 77 H N -0.463 118.607 119.070 -0.000 0.000 2.553 77 H HA 0.134 4.694 4.556 0.007 0.000 0.276 77 H C 0.134 175.471 175.328 0.014 0.000 0.979 77 H CA 0.062 56.091 56.048 -0.031 0.000 1.268 77 H CB 0.532 30.168 29.762 -0.210 0.000 1.450 77 H HN -0.022 nan 8.280 nan 0.000 0.527 78 M N 2.424 122.060 119.600 0.060 0.000 2.350 78 M HA 0.079 4.563 4.480 0.007 0.000 0.338 78 M C -0.417 175.909 176.300 0.042 0.000 1.559 78 M CA 0.736 56.115 55.300 0.131 0.000 1.217 78 M CB -0.190 32.452 32.600 0.070 0.000 1.808 78 M HN 0.031 nan 8.290 nan 0.000 0.458 79 K N 3.122 123.547 120.400 0.042 0.000 2.687 79 K HA 0.408 4.732 4.320 0.007 0.000 0.197 79 K C -1.093 175.348 176.600 -0.264 0.000 1.049 79 K CA -0.358 55.885 56.287 -0.074 0.000 1.030 79 K CB 1.203 33.685 32.500 -0.029 0.000 1.261 79 K HN 0.660 nan 8.250 nan 0.000 0.565 80 H N -0.418 118.366 119.070 -0.476 0.000 3.085 80 H HA 0.112 4.672 4.556 0.007 0.000 0.356 80 H C 0.183 175.312 175.328 -0.332 0.000 1.178 80 H CA -0.472 55.216 56.048 -0.601 0.000 1.214 80 H CB 1.496 30.485 29.762 -1.289 0.000 1.881 80 H HN 0.343 nan 8.280 nan 0.000 0.538 81 E N 1.950 121.837 120.200 -0.522 0.000 2.153 81 E HA -0.159 4.196 4.350 0.007 0.000 0.194 81 E C 0.380 176.935 176.600 -0.075 0.000 0.988 81 E CA 1.341 57.594 56.400 -0.245 0.000 0.811 81 E CB 0.052 29.593 29.700 -0.264 0.000 0.746 81 E HN 0.563 nan 8.360 nan 0.000 0.466 82 N N -0.079 118.703 118.700 0.138 0.000 2.270 82 N HA 0.063 4.807 4.740 0.007 0.000 0.198 82 N C -0.905 174.596 175.510 -0.015 0.000 1.117 82 N CA -0.207 52.869 53.050 0.043 0.000 0.845 82 N CB 1.073 39.566 38.487 0.010 0.000 0.980 82 N HN -0.145 nan 8.380 nan 0.000 0.486 83 V N 0.858 120.769 119.914 -0.005 0.000 2.864 83 V HA 0.346 4.471 4.120 0.007 0.000 0.314 83 V C -0.044 176.018 176.094 -0.054 0.000 1.073 83 V CA -1.192 61.065 62.300 -0.072 0.000 0.956 83 V CB 2.677 34.419 31.823 -0.134 0.000 1.023 83 V HN 0.068 nan 8.190 nan 0.000 0.435 84 I N 1.942 122.478 120.570 -0.056 0.000 2.634 84 I HA 0.591 4.766 4.170 0.007 0.000 0.284 84 I C 0.630 176.728 176.117 -0.033 0.000 1.124 84 I CA 0.555 61.827 61.300 -0.046 0.000 1.417 84 I CB 0.843 38.788 38.000 -0.093 0.000 1.396 84 I HN 0.790 nan 8.210 nan 0.000 0.571 85 G N 6.844 115.642 108.800 -0.004 0.000 2.630 85 G HA2 0.507 4.472 3.960 0.007 0.000 0.296 85 G HA3 0.507 4.472 3.960 0.007 0.000 0.296 85 G C -1.341 173.549 174.900 -0.018 0.000 1.285 85 G CA -0.849 44.252 45.100 0.001 0.000 0.958 85 G HN 0.589 nan 8.290 nan 0.000 0.479 86 L N 1.388 122.618 121.223 0.011 0.000 2.281 86 L HA 0.264 4.608 4.340 0.007 0.000 0.285 86 L C 1.217 178.125 176.870 0.062 0.000 1.074 86 L CA -0.526 54.303 54.840 -0.019 0.000 0.817 86 L CB 1.282 43.319 42.059 -0.038 0.000 1.168 86 L HN 0.505 nan 8.230 nan 0.000 0.434 87 L N 2.441 123.643 121.223 -0.034 0.000 2.179 87 L HA 0.061 4.406 4.340 0.007 0.000 0.208 87 L C 0.162 177.135 176.870 0.172 0.000 1.096 87 L CA 0.885 55.744 54.840 0.032 0.000 0.779 87 L CB -0.027 41.975 42.059 -0.095 0.000 0.922 87 L HN 0.656 nan 8.230 nan 0.000 0.443 88 D N -2.238 118.108 120.400 -0.091 0.000 2.683 88 D HA 0.382 5.026 4.640 0.007 0.000 0.246 88 D C -1.699 174.313 176.300 -0.480 0.000 1.238 88 D CA -0.218 53.663 54.000 -0.199 0.000 0.759 88 D CB 2.222 43.153 40.800 0.218 0.000 1.349 88 D HN -0.275 nan 8.370 nan 0.000 0.426 89 V N 2.709 122.323 119.914 -0.499 0.000 2.851 89 V HA 0.904 5.029 4.120 0.007 0.000 0.307 89 V C -1.772 174.309 176.094 -0.022 0.000 1.129 89 V CA -0.484 61.604 62.300 -0.354 0.000 0.932 89 V CB 1.301 32.861 31.823 -0.438 0.000 1.024 89 V HN 0.581 nan 8.190 nan 0.000 0.426 90 F N 2.425 122.432 119.950 0.094 0.000 2.686 90 F HA 0.925 5.456 4.527 0.007 0.000 0.311 90 F C -0.804 175.192 175.800 0.328 0.000 1.128 90 F CA -0.628 57.491 58.000 0.199 0.000 0.946 90 F CB 1.703 40.828 39.000 0.207 0.000 1.336 90 F HN 0.601 nan 8.300 nan 0.000 0.457 91 T N 1.517 116.476 114.554 0.674 0.000 2.993 91 T HA 0.461 4.816 4.350 0.007 0.000 0.312 91 T C -2.415 172.434 174.700 0.248 0.000 1.115 91 T CA -1.592 60.848 62.100 0.567 0.000 1.027 91 T CB 1.973 71.199 68.868 0.597 0.000 1.116 91 T HN 0.592 nan 8.240 nan 0.000 0.464 92 P HA 0.172 nan 4.420 nan 0.000 0.233 92 P C 0.387 177.501 177.300 -0.309 0.000 1.167 92 P CA 0.037 62.705 63.100 -0.719 0.000 0.770 92 P CB -0.067 31.402 31.700 -0.385 0.000 0.837 93 A N 0.935 123.766 122.820 0.019 0.000 2.477 93 A HA 0.132 4.456 4.320 0.007 0.000 0.246 93 A C 1.255 178.888 177.584 0.081 0.000 1.078 93 A CA -0.172 51.925 52.037 0.100 0.000 0.770 93 A CB 0.016 19.190 19.000 0.289 0.000 1.011 93 A HN 0.063 nan 8.150 nan 0.000 0.494 94 R N 0.752 121.279 120.500 0.045 0.000 2.290 94 R HA 0.131 4.475 4.340 0.007 0.000 0.197 94 R C 0.216 176.566 176.300 0.084 0.000 0.913 94 R CA 0.899 57.031 56.100 0.052 0.000 1.040 94 R CB 0.149 30.460 30.300 0.018 0.000 0.992 94 R HN 0.846 nan 8.270 nan 0.000 0.500 95 S N -1.308 114.422 115.700 0.050 0.000 2.656 95 S HA 0.161 4.635 4.470 0.007 0.000 0.273 95 S C 0.244 174.665 174.600 -0.300 0.000 1.168 95 S CA -0.908 57.281 58.200 -0.017 0.000 0.817 95 S CB 1.123 64.307 63.200 -0.027 0.000 1.146 95 S HN -0.025 nan 8.310 nan 0.000 0.475 96 L N 1.029 121.939 121.223 -0.522 0.000 2.131 96 L HA 0.141 4.486 4.340 0.007 0.000 0.210 96 L C 2.054 178.736 176.870 -0.313 0.000 1.092 96 L CA 2.086 56.464 54.840 -0.772 0.000 0.759 96 L CB -1.316 40.434 42.059 -0.516 0.000 0.903 96 L HN 0.822 nan 8.230 nan 0.000 0.435 97 E N 0.461 120.555 120.200 -0.177 0.000 2.153 97 E HA -0.199 4.156 4.350 0.007 0.000 0.194 97 E C 1.651 178.218 176.600 -0.056 0.000 0.988 97 E CA 1.528 57.872 56.400 -0.094 0.000 0.811 97 E CB -0.143 29.519 29.700 -0.062 0.000 0.746 97 E HN 0.828 nan 8.360 nan 0.000 0.466 98 E N -0.768 119.411 120.200 -0.036 0.000 2.548 98 E HA 0.047 4.402 4.350 0.007 0.000 0.206 98 E C -0.303 176.353 176.600 0.094 0.000 1.005 98 E CA -0.495 55.914 56.400 0.015 0.000 0.951 98 E CB -0.113 29.596 29.700 0.015 0.000 1.035 98 E HN 0.032 nan 8.360 nan 0.000 0.470 99 F N 2.760 122.640 119.950 -0.117 0.000 2.494 99 F HA 0.225 4.757 4.527 0.007 0.000 0.369 99 F C 0.377 176.222 175.800 0.075 0.000 1.098 99 F CA -0.376 57.605 58.000 -0.031 0.000 1.154 99 F CB 0.320 39.214 39.000 -0.178 0.000 1.103 99 F HN -0.076 nan 8.300 nan 0.000 0.549 100 N N 3.116 121.764 118.700 -0.087 0.000 2.149 100 N HA 0.031 4.776 4.740 0.007 0.000 0.229 100 N C -0.981 174.424 175.510 -0.174 0.000 1.284 100 N CA 0.050 53.041 53.050 -0.098 0.000 0.864 100 N CB 0.682 39.155 38.487 -0.023 0.000 1.169 100 N HN 0.498 nan 8.380 nan 0.000 0.478 101 D N 1.014 121.338 120.400 -0.127 0.000 2.481 101 D HA 0.416 5.061 4.640 0.007 0.000 0.244 101 D C -0.566 175.735 176.300 0.002 0.000 1.057 101 D CA -0.275 53.650 54.000 -0.124 0.000 0.848 101 D CB 3.434 44.236 40.800 0.004 0.000 1.388 101 D HN -0.309 nan 8.370 nan 0.000 0.475 102 V N 2.346 122.140 119.914 -0.199 0.000 2.588 102 V HA 0.371 4.495 4.120 0.007 0.000 0.304 102 V C -1.234 174.671 176.094 -0.314 0.000 1.042 102 V CA -0.739 61.526 62.300 -0.058 0.000 0.877 102 V CB 1.395 33.173 31.823 -0.076 0.000 0.996 102 V HN 0.405 nan 8.190 nan 0.000 0.425 103 Y N 4.350 124.420 120.300 -0.383 0.000 2.376 103 Y HA 0.723 5.277 4.550 0.006 0.000 0.340 103 Y C -0.180 175.347 175.900 -0.622 0.000 0.965 103 Y CA -0.904 56.813 58.100 -0.638 0.000 1.078 103 Y CB 1.812 39.552 38.460 -1.200 0.000 1.193 103 Y HN 0.418 nan 8.280 nan 0.000 0.452 104 L N 3.960 125.005 121.223 -0.297 0.000 2.322 104 L HA 0.764 5.109 4.340 0.007 0.000 0.281 104 L C -0.931 175.807 176.870 -0.221 0.000 1.014 104 L CA -1.117 53.564 54.840 -0.265 0.000 0.815 104 L CB 1.652 43.587 42.059 -0.206 0.000 1.247 104 L HN 0.309 nan 8.230 nan 0.000 0.421 105 V N 1.505 121.286 119.914 -0.222 0.000 2.495 105 V HA 0.640 4.764 4.120 0.007 0.000 0.298 105 V C -0.025 175.980 176.094 -0.148 0.000 1.031 105 V CA -0.359 61.836 62.300 -0.174 0.000 0.871 105 V CB 1.770 33.498 31.823 -0.157 0.000 0.988 105 V HN 0.826 nan 8.190 nan 0.000 0.432 106 T N 1.653 116.131 114.554 -0.125 0.000 2.865 106 T HA 0.496 4.850 4.350 0.007 0.000 0.294 106 T C -0.588 174.049 174.700 -0.104 0.000 1.119 106 T CA -0.541 61.484 62.100 -0.124 0.000 1.007 106 T CB 1.063 69.875 68.868 -0.093 0.000 1.225 106 T HN 0.816 nan 8.240 nan 0.000 0.515 107 H N 0.913 119.973 119.070 -0.017 0.000 2.972 107 H HA 0.231 4.792 4.556 0.007 0.000 0.343 107 H C 0.106 175.436 175.328 0.002 0.000 1.054 107 H CA -0.259 55.788 56.048 -0.001 0.000 1.412 107 H CB 0.367 30.127 29.762 -0.004 0.000 1.385 107 H HN 0.187 nan 8.280 nan 0.000 0.600 108 L N 4.193 125.516 121.223 0.167 0.000 2.433 108 L HA 0.073 4.417 4.340 0.007 0.000 0.275 108 L C -0.683 176.258 176.870 0.119 0.000 1.128 108 L CA 0.087 54.999 54.840 0.120 0.000 0.875 108 L CB 0.065 42.193 42.059 0.115 0.000 1.171 108 L HN 0.553 nan 8.230 nan 0.000 0.463 109 M N 4.750 124.427 119.600 0.129 0.000 2.188 109 M HA 0.314 4.799 4.480 0.007 0.000 0.357 109 M C 0.947 177.343 176.300 0.161 0.000 1.204 109 M CA -0.043 55.353 55.300 0.159 0.000 1.095 109 M CB 0.605 33.352 32.600 0.245 0.000 1.604 109 M HN 0.740 nan 8.290 nan 0.000 0.464 110 G N 2.312 111.178 108.800 0.110 0.000 2.600 110 G HA2 0.435 4.399 3.960 0.007 0.000 0.225 110 G HA3 0.435 4.399 3.960 0.007 0.000 0.225 110 G C -0.038 174.891 174.900 0.047 0.000 1.623 110 G CA 0.112 45.255 45.100 0.072 0.000 0.903 110 G HN 0.773 nan 8.290 nan 0.000 0.574 111 A N 0.959 123.797 122.820 0.030 0.000 2.331 111 A HA 0.566 4.890 4.320 0.007 0.000 0.283 111 A C -0.227 177.359 177.584 0.003 0.000 1.142 111 A CA -0.153 51.883 52.037 -0.001 0.000 0.812 111 A CB 0.437 19.433 19.000 -0.005 0.000 1.074 111 A HN 0.575 nan 8.150 nan 0.000 0.497 112 D N 1.084 121.456 120.400 -0.047 0.000 2.466 112 D HA 0.257 4.902 4.640 0.007 0.000 0.262 112 D C 0.744 177.020 176.300 -0.041 0.000 1.177 112 D CA -0.742 53.233 54.000 -0.042 0.000 1.035 112 D CB 0.372 41.088 40.800 -0.139 0.000 1.105 112 D HN 0.211 nan 8.370 nan 0.000 0.551 113 L N 0.293 121.491 121.223 -0.042 0.000 2.275 113 L HA -0.008 4.336 4.340 0.007 0.000 0.215 113 L C 1.540 178.383 176.870 -0.045 0.000 1.119 113 L CA 1.569 56.382 54.840 -0.046 0.000 0.790 113 L CB -1.252 40.772 42.059 -0.060 0.000 0.919 113 L HN 0.557 nan 8.230 nan 0.000 0.443 114 N N -0.297 118.368 118.700 -0.058 0.000 2.166 114 N HA -0.203 4.542 4.740 0.007 0.000 0.186 114 N C 1.524 177.019 175.510 -0.025 0.000 1.019 114 N CA 1.559 54.587 53.050 -0.037 0.000 0.856 114 N CB -0.142 38.315 38.487 -0.050 0.000 0.993 114 N HN 0.394 nan 8.380 nan 0.000 0.426 115 N N 0.176 118.854 118.700 -0.038 0.000 2.331 115 N HA -0.069 4.675 4.740 0.007 0.000 0.180 115 N C 1.369 176.867 175.510 -0.020 0.000 1.019 115 N CA 0.604 53.637 53.050 -0.028 0.000 0.881 115 N CB -0.059 38.406 38.487 -0.036 0.000 0.972 115 N HN 0.327 nan 8.380 nan 0.000 0.435 116 I N 1.012 121.567 120.570 -0.024 0.000 2.233 116 I HA -0.139 4.036 4.170 0.007 0.000 0.243 116 I C 2.489 178.598 176.117 -0.014 0.000 1.093 116 I CA 0.876 62.161 61.300 -0.026 0.000 1.380 116 I CB -1.387 36.591 38.000 -0.036 0.000 1.067 116 I HN -0.021 nan 8.210 nan 0.000 0.413 117 V N -0.731 119.180 119.914 -0.005 0.000 2.667 117 V HA -0.151 3.974 4.120 0.007 0.000 0.252 117 V C 2.442 178.545 176.094 0.014 0.000 1.065 117 V CA 1.552 63.858 62.300 0.010 0.000 1.083 117 V CB -0.773 31.061 31.823 0.019 0.000 0.692 117 V HN 0.336 nan 8.190 nan 0.000 0.468 118 K N -0.442 119.965 120.400 0.011 0.000 2.025 118 K HA -0.073 4.252 4.320 0.007 0.000 0.207 118 K C 1.597 178.203 176.600 0.011 0.000 1.049 118 K CA 2.064 58.359 56.287 0.015 0.000 0.933 118 K CB -0.188 32.320 32.500 0.012 0.000 0.714 118 K HN 0.608 nan 8.250 nan 0.000 0.438 119 C N 0.865 120.168 119.300 0.005 0.000 2.974 119 C HA 0.340 4.805 4.460 0.007 0.000 0.282 119 C C -0.321 174.671 174.990 0.004 0.000 1.292 119 C CA -0.612 58.408 59.018 0.004 0.000 1.710 119 C CB -0.422 27.318 27.740 -0.001 0.000 2.036 119 C HN 0.407 nan 8.230 nan 0.000 0.629 120 Q N 0.437 120.240 119.800 0.005 0.000 2.340 120 Q HA 0.364 4.709 4.340 0.007 0.000 0.276 120 Q C -1.035 174.979 176.000 0.023 0.000 1.048 120 Q CA -0.685 55.123 55.803 0.007 0.000 0.832 120 Q CB 2.137 30.865 28.738 -0.016 0.000 1.373 120 Q HN -0.056 nan 8.270 nan 0.000 0.409 121 K N 1.992 122.417 120.400 0.042 0.000 2.205 121 K HA 0.424 4.749 4.320 0.007 0.000 0.279 121 K C -1.386 175.285 176.600 0.118 0.000 1.027 121 K CA -0.053 56.274 56.287 0.066 0.000 0.932 121 K CB 0.471 33.009 32.500 0.063 0.000 1.032 121 K HN 0.522 nan 8.250 nan 0.000 0.466 122 L N 3.867 125.174 121.223 0.141 0.000 2.317 122 L HA 0.435 4.779 4.340 0.007 0.000 0.281 122 L C 0.373 177.388 176.870 0.242 0.000 1.024 122 L CA -1.036 53.960 54.840 0.260 0.000 0.810 122 L CB 1.793 43.953 42.059 0.167 0.000 1.240 122 L HN 0.841 nan 8.230 nan 0.000 0.427 123 T N -2.914 111.802 114.554 0.271 0.000 2.899 123 T HA 0.077 4.432 4.350 0.007 0.000 0.284 123 T C 0.721 175.454 174.700 0.055 0.000 1.004 123 T CA -0.595 61.513 62.100 0.013 0.000 1.043 123 T CB 1.593 70.318 68.868 -0.238 0.000 1.013 123 T HN 0.659 nan 8.240 nan 0.000 0.518 124 D N 0.201 120.632 120.400 0.052 0.000 2.158 124 D HA -0.186 4.459 4.640 0.007 0.000 0.197 124 D C 1.562 177.921 176.300 0.099 0.000 0.995 124 D CA 1.616 55.683 54.000 0.112 0.000 0.846 124 D CB -0.298 40.570 40.800 0.113 0.000 0.941 124 D HN 0.788 nan 8.370 nan 0.000 0.456 125 D N -1.651 118.761 120.400 0.020 0.000 2.144 125 D HA -0.133 4.511 4.640 0.007 0.000 0.200 125 D C 1.763 178.147 176.300 0.139 0.000 0.978 125 D CA 1.162 55.190 54.000 0.047 0.000 0.833 125 D CB -0.125 40.656 40.800 -0.032 0.000 0.961 125 D HN 0.457 nan 8.370 nan 0.000 0.470 126 H N -1.069 118.073 119.070 0.120 0.000 2.319 126 H HA -0.102 4.459 4.556 0.008 0.000 0.299 126 H C 2.195 177.602 175.328 0.133 0.000 1.092 126 H CA 1.219 57.344 56.048 0.128 0.000 1.302 126 H CB 0.139 29.959 29.762 0.096 0.000 1.373 126 H HN 0.041 nan 8.280 nan 0.000 0.497 127 V N 0.920 120.989 119.914 0.259 0.000 2.358 127 V HA -0.269 3.855 4.120 0.007 0.000 0.246 127 V C 2.204 178.444 176.094 0.242 0.000 1.047 127 V CA 1.696 64.130 62.300 0.224 0.000 1.035 127 V CB -0.542 31.419 31.823 0.231 0.000 0.658 127 V HN 0.447 nan 8.190 nan 0.000 0.452 128 Q N -0.896 119.002 119.800 0.162 0.000 2.029 128 Q HA -0.282 4.062 4.340 0.007 0.000 0.209 128 Q C 2.186 178.289 176.000 0.172 0.000 0.999 128 Q CA 2.523 58.386 55.803 0.100 0.000 0.857 128 Q CB -0.387 28.346 28.738 -0.008 0.000 0.926 128 Q HN 0.614 nan 8.270 nan 0.000 0.415 129 F N 0.812 120.617 119.950 -0.241 0.000 2.171 129 F HA -0.154 4.377 4.527 0.007 0.000 0.300 129 F C 1.757 177.460 175.800 -0.162 0.000 1.090 129 F CA 1.180 58.860 58.000 -0.533 0.000 1.293 129 F CB -0.171 38.521 39.000 -0.513 0.000 1.013 129 F HN -0.005 nan 8.300 nan 0.000 0.486 130 L N -0.531 120.643 121.223 -0.082 0.000 2.005 130 L HA -0.230 4.114 4.340 0.007 0.000 0.207 130 L C 2.432 179.224 176.870 -0.130 0.000 1.072 130 L CA 0.741 55.492 54.840 -0.148 0.000 0.744 130 L CB -0.673 41.373 42.059 -0.022 0.000 0.895 130 L HN 0.070 nan 8.230 nan 0.000 0.433 131 I N -0.928 119.655 120.570 0.021 0.000 2.315 131 I HA -0.308 3.866 4.170 0.007 0.000 0.248 131 I C 2.508 178.520 176.117 -0.175 0.000 1.117 131 I CA 1.468 62.794 61.300 0.044 0.000 1.404 131 I CB -1.257 36.927 38.000 0.307 0.000 1.071 131 I HN 0.261 nan 8.210 nan 0.000 0.419 132 Y N 2.404 122.469 120.300 -0.392 0.000 2.114 132 Y HA -0.319 4.235 4.550 0.007 0.000 0.282 132 Y C 2.703 178.316 175.900 -0.479 0.000 1.165 132 Y CA 2.082 59.744 58.100 -0.730 0.000 1.148 132 Y CB -0.489 37.665 38.460 -0.510 0.000 0.972 132 Y HN 0.266 nan 8.280 nan 0.000 0.504 133 Q N -0.268 119.203 119.800 -0.548 0.000 2.119 133 Q HA -0.132 4.212 4.340 0.007 0.000 0.201 133 Q C 2.370 178.123 176.000 -0.411 0.000 0.972 133 Q CA 1.836 57.316 55.803 -0.537 0.000 0.847 133 Q CB -0.143 28.294 28.738 -0.502 0.000 0.903 133 Q HN 0.567 nan 8.270 nan 0.000 0.433 134 I N 0.502 120.873 120.570 -0.333 0.000 2.179 134 I HA -0.292 3.882 4.170 0.007 0.000 0.242 134 I C 2.120 178.070 176.117 -0.280 0.000 1.088 134 I CA 1.141 62.291 61.300 -0.251 0.000 1.357 134 I CB -0.247 37.647 38.000 -0.177 0.000 1.051 134 I HN 0.208 nan 8.210 nan 0.000 0.409 135 L N 0.227 121.253 121.223 -0.328 0.000 2.083 135 L HA -0.214 4.130 4.340 0.007 0.000 0.209 135 L C 2.775 179.436 176.870 -0.349 0.000 1.083 135 L CA 1.272 55.925 54.840 -0.312 0.000 0.752 135 L CB -0.565 41.295 42.059 -0.331 0.000 0.899 135 L HN 0.217 nan 8.230 nan 0.000 0.433 136 R N 0.232 120.440 120.500 -0.485 0.000 2.073 136 R HA -0.150 4.195 4.340 0.007 0.000 0.234 136 R C 2.280 178.401 176.300 -0.299 0.000 1.134 136 R CA 1.647 57.516 56.100 -0.385 0.000 0.952 136 R CB -0.561 29.435 30.300 -0.508 0.000 0.850 136 R HN 0.366 nan 8.270 nan 0.000 0.433 137 G N 0.769 109.365 108.800 -0.340 0.000 2.422 137 G HA2 -0.240 3.724 3.960 0.007 0.000 0.218 137 G HA3 -0.240 3.724 3.960 0.007 0.000 0.218 137 G C 1.266 175.948 174.900 -0.364 0.000 1.146 137 G CA 0.474 45.289 45.100 -0.474 0.000 0.769 137 G HN 0.260 nan 8.290 nan 0.000 0.547 138 L N 0.660 121.689 121.223 -0.323 0.000 2.093 138 L HA 0.131 4.476 4.340 0.007 0.000 0.208 138 L C 2.689 179.290 176.870 -0.449 0.000 1.085 138 L CA 1.881 56.466 54.840 -0.425 0.000 0.755 138 L CB -0.425 41.385 42.059 -0.416 0.000 0.904 138 L HN 0.252 nan 8.230 nan 0.000 0.435 139 K N -1.536 118.713 120.400 -0.252 0.000 2.044 139 K HA -0.303 4.021 4.320 0.007 0.000 0.210 139 K C 2.307 178.871 176.600 -0.060 0.000 1.049 139 K CA 2.134 58.358 56.287 -0.104 0.000 0.927 139 K CB -0.516 31.957 32.500 -0.044 0.000 0.713 139 K HN 0.344 nan 8.250 nan 0.000 0.443 140 Y N 1.447 121.601 120.300 -0.244 0.000 2.097 140 Y HA -0.228 4.327 4.550 0.008 0.000 0.282 140 Y C 1.907 177.723 175.900 -0.140 0.000 1.152 140 Y CA 2.062 60.034 58.100 -0.213 0.000 1.136 140 Y CB -0.160 38.010 38.460 -0.483 0.000 0.975 140 Y HN 0.042 nan 8.280 nan 0.000 0.498 141 I N -0.632 119.912 120.570 -0.043 0.000 2.179 141 I HA -0.365 3.810 4.170 0.007 0.000 0.242 141 I C 2.221 178.352 176.117 0.024 0.000 1.088 141 I CA 1.880 63.160 61.300 -0.034 0.000 1.357 141 I CB -0.712 37.274 38.000 -0.023 0.000 1.051 141 I HN 0.347 nan 8.210 nan 0.000 0.409 142 H N 0.076 119.126 119.070 -0.034 0.000 2.421 142 H HA -0.118 4.442 4.556 0.007 0.000 0.298 142 H C 2.457 177.765 175.328 -0.032 0.000 1.087 142 H CA 1.221 57.261 56.048 -0.013 0.000 1.330 142 H CB 0.059 29.826 29.762 0.009 0.000 1.388 142 H HN 0.384 nan 8.280 nan 0.000 0.526 143 S N 0.420 116.149 115.700 0.048 0.000 2.515 143 S HA 0.051 4.525 4.470 0.007 0.000 0.231 143 S C 1.876 176.455 174.600 -0.035 0.000 0.987 143 S CA 0.444 58.641 58.200 -0.005 0.000 0.936 143 S CB 0.192 63.368 63.200 -0.041 0.000 0.766 143 S HN 0.396 nan 8.310 nan 0.000 0.528 144 A N 1.090 123.873 122.820 -0.062 0.000 2.345 144 A HA 0.284 4.609 4.320 0.007 0.000 0.225 144 A C 0.457 178.089 177.584 0.080 0.000 1.243 144 A CA 0.073 52.102 52.037 -0.014 0.000 0.875 144 A CB -0.339 18.584 19.000 -0.129 0.000 0.929 144 A HN 0.398 nan 8.150 nan 0.000 0.502 145 D N -0.655 119.782 120.400 0.061 0.000 2.772 145 D HA -0.159 4.486 4.640 0.007 0.000 0.233 145 D C -0.455 175.895 176.300 0.085 0.000 1.143 145 D CA 1.029 55.065 54.000 0.060 0.000 0.700 145 D CB -1.098 39.724 40.800 0.036 0.000 1.076 145 D HN 0.523 nan 8.370 nan 0.000 0.430 146 I N 0.736 121.366 120.570 0.099 0.000 2.412 146 I HA 0.362 4.537 4.170 0.007 0.000 0.296 146 I C 0.824 177.033 176.117 0.154 0.000 0.987 146 I CA -0.719 60.642 61.300 0.102 0.000 1.180 146 I CB 1.612 39.644 38.000 0.054 0.000 1.340 146 I HN -0.123 nan 8.210 nan 0.000 0.455 147 I N 4.714 125.362 120.570 0.130 0.000 2.412 147 I HA 0.214 4.388 4.170 0.007 0.000 0.296 147 I C 1.111 177.324 176.117 0.159 0.000 0.987 147 I CA -0.629 60.779 61.300 0.179 0.000 1.180 147 I CB 1.511 39.618 38.000 0.179 0.000 1.340 147 I HN 0.680 nan 8.210 nan 0.000 0.455 148 H N 6.544 125.683 119.070 0.115 0.000 2.307 148 H HA 0.004 4.565 4.556 0.007 0.000 0.303 148 H C 1.127 176.465 175.328 0.017 0.000 1.073 148 H CA 2.008 58.085 56.048 0.047 0.000 1.338 148 H CB 0.433 30.217 29.762 0.038 0.000 1.389 148 H HN 0.639 nan 8.280 nan 0.000 0.503 149 R N -1.168 119.487 120.500 0.258 0.000 3.746 149 R HA -0.189 4.155 4.340 0.007 0.000 0.465 149 R C -0.229 176.153 176.300 0.136 0.000 0.725 149 R CA 1.416 57.576 56.100 0.101 0.000 1.545 149 R CB -1.544 28.770 30.300 0.024 0.000 2.197 149 R HN 0.347 nan 8.270 nan 0.000 0.438 150 D N 0.372 120.959 120.400 0.312 0.000 2.837 150 D HA 0.254 4.899 4.640 0.007 0.000 0.340 150 D C -0.535 175.713 176.300 -0.087 0.000 1.451 150 D CA -0.199 53.918 54.000 0.196 0.000 0.798 150 D CB 0.421 41.386 40.800 0.276 0.000 1.169 150 D HN 0.084 nan 8.370 nan 0.000 0.449 151 L N 2.108 123.120 121.223 -0.351 0.000 2.562 151 L HA 0.119 4.464 4.340 0.007 0.000 0.271 151 L C 0.405 177.127 176.870 -0.247 0.000 1.167 151 L CA 0.842 55.401 54.840 -0.468 0.000 0.917 151 L CB 0.044 41.910 42.059 -0.320 0.000 1.187 151 L HN 0.159 nan 8.230 nan 0.000 0.482 152 K N 2.892 123.099 120.400 -0.321 0.000 2.548 152 K HA 0.466 4.790 4.320 0.007 0.000 0.282 152 K C -2.654 173.689 176.600 -0.428 0.000 1.006 152 K CA -1.704 54.244 56.287 -0.565 0.000 0.892 152 K CB 1.082 33.277 32.500 -0.507 0.000 1.499 152 K HN -0.091 nan 8.250 nan 0.000 0.433 153 P HA -0.268 nan 4.420 nan 0.000 0.217 153 P C 1.272 178.480 177.300 -0.153 0.000 1.151 153 P CA 2.039 64.985 63.100 -0.257 0.000 0.849 153 P CB 0.069 31.643 31.700 -0.210 0.000 0.787 154 S N -1.895 113.710 115.700 -0.158 0.000 2.481 154 S HA -0.074 4.400 4.470 0.007 0.000 0.231 154 S C 1.465 176.059 174.600 -0.010 0.000 0.996 154 S CA 0.946 59.064 58.200 -0.136 0.000 0.942 154 S CB -1.320 61.788 63.200 -0.154 0.000 0.768 154 S HN 0.229 nan 8.310 nan 0.000 0.520 155 N N 0.558 119.305 118.700 0.078 0.000 2.314 155 N HA 0.336 5.080 4.740 0.007 0.000 0.200 155 N C -1.003 174.624 175.510 0.195 0.000 1.135 155 N CA -0.088 53.126 53.050 0.272 0.000 0.835 155 N CB 0.166 38.756 38.487 0.170 0.000 0.989 155 N HN 0.382 nan 8.380 nan 0.000 0.478 156 L N 1.012 122.308 121.223 0.123 0.000 2.319 156 L HA 0.600 4.945 4.340 0.007 0.000 0.281 156 L C -0.380 176.554 176.870 0.106 0.000 1.005 156 L CA -0.881 53.995 54.840 0.060 0.000 0.828 156 L CB 1.684 43.719 42.059 -0.040 0.000 1.227 156 L HN -0.087 nan 8.230 nan 0.000 0.415 157 A N 3.869 126.760 122.820 0.119 0.000 2.309 157 A HA 0.800 5.125 4.320 0.007 0.000 0.298 157 A C -0.468 177.135 177.584 0.031 0.000 1.165 157 A CA -0.410 51.698 52.037 0.119 0.000 0.821 157 A CB 1.093 20.183 19.000 0.150 0.000 1.102 157 A HN 0.439 nan 8.150 nan 0.000 0.500 158 V N 3.821 123.748 119.914 0.023 0.000 2.569 158 V HA 0.272 4.397 4.120 0.007 0.000 0.301 158 V C -0.295 175.802 176.094 0.006 0.000 1.044 158 V CA -0.926 61.371 62.300 -0.004 0.000 0.874 158 V CB 1.553 33.364 31.823 -0.020 0.000 1.002 158 V HN 1.131 nan 8.190 nan 0.000 0.424 159 N N 2.958 121.662 118.700 0.007 0.000 2.443 159 N HA 0.244 4.989 4.740 0.007 0.000 0.294 159 N C 0.661 176.180 175.510 0.014 0.000 1.289 159 N CA -0.466 52.591 53.050 0.012 0.000 0.966 159 N CB 0.521 39.014 38.487 0.009 0.000 1.122 159 N HN 0.561 nan 8.380 nan 0.000 0.569 160 E N -1.486 118.723 120.200 0.016 0.000 2.347 160 E HA -0.073 4.282 4.350 0.007 0.000 0.196 160 E C -0.216 176.398 176.600 0.023 0.000 1.008 160 E CA 0.735 57.143 56.400 0.013 0.000 0.852 160 E CB -0.116 29.591 29.700 0.013 0.000 0.783 160 E HN 0.517 nan 8.360 nan 0.000 0.505 161 D N -0.457 119.969 120.400 0.043 0.000 2.358 161 D HA 0.070 4.714 4.640 0.007 0.000 0.224 161 D C 0.201 176.587 176.300 0.143 0.000 1.123 161 D CA 0.002 54.045 54.000 0.071 0.000 0.833 161 D CB 0.216 41.058 40.800 0.070 0.000 0.946 161 D HN 0.084 nan 8.370 nan 0.000 0.505 162 C N 1.550 120.914 119.300 0.106 0.000 4.297 162 C HA -0.181 4.283 4.460 0.007 0.000 0.290 162 C C 0.668 175.754 174.990 0.161 0.000 1.444 162 C CA 0.175 59.275 59.018 0.136 0.000 1.982 162 C CB -2.317 25.542 27.740 0.198 0.000 1.276 162 C HN 0.396 nan 8.230 nan 0.000 0.797 163 E N -0.293 119.987 120.200 0.134 0.000 2.354 163 E HA 0.544 4.898 4.350 0.007 0.000 0.269 163 E C -0.107 176.457 176.600 -0.060 0.000 1.036 163 E CA -0.135 56.286 56.400 0.034 0.000 0.876 163 E CB 1.152 30.895 29.700 0.072 0.000 1.009 163 E HN 0.571 nan 8.360 nan 0.000 0.416 164 L N 2.275 123.417 121.223 -0.135 0.000 2.410 164 L HA 0.459 4.803 4.340 0.007 0.000 0.270 164 L C -1.332 175.474 176.870 -0.107 0.000 0.983 164 L CA -0.603 54.160 54.840 -0.129 0.000 0.822 164 L CB 1.229 43.172 42.059 -0.193 0.000 1.285 164 L HN 0.400 nan 8.230 nan 0.000 0.409 165 K N 5.654 126.012 120.400 -0.069 0.000 2.324 165 K HA 0.548 4.873 4.320 0.007 0.000 0.253 165 K C -1.116 175.454 176.600 -0.051 0.000 0.932 165 K CA -0.620 55.630 56.287 -0.061 0.000 0.799 165 K CB 2.457 34.928 32.500 -0.048 0.000 1.154 165 K HN 0.519 nan 8.250 nan 0.000 0.425 166 I N 5.671 126.206 120.570 -0.058 0.000 2.416 166 I HA 0.160 4.335 4.170 0.007 0.000 0.288 166 I C 0.038 176.141 176.117 -0.024 0.000 1.051 166 I CA -0.450 60.835 61.300 -0.024 0.000 1.375 166 I CB 0.278 38.268 38.000 -0.017 0.000 1.407 166 I HN 0.378 nan 8.210 nan 0.000 0.516 167 L N 3.901 125.116 121.223 -0.014 0.000 2.305 167 L HA 0.716 5.061 4.340 0.007 0.000 0.239 167 L C -1.321 175.547 176.870 -0.004 0.000 1.146 167 L CA -0.635 54.146 54.840 -0.099 0.000 1.038 167 L CB 1.243 43.128 42.059 -0.290 0.000 1.591 167 L HN 0.397 nan 8.230 nan 0.000 0.438 168 D N -0.533 119.780 120.400 -0.145 0.000 2.476 168 D HA 0.377 5.022 4.640 0.007 0.000 0.251 168 D C 0.005 176.253 176.300 -0.086 0.000 1.291 168 D CA -0.291 53.685 54.000 -0.040 0.000 0.939 168 D CB 0.893 41.621 40.800 -0.120 0.000 1.221 168 D HN 0.407 nan 8.370 nan 0.000 0.567 169 F N 1.362 121.319 119.950 0.012 0.000 2.699 169 F HA 0.157 4.688 4.527 0.007 0.000 0.298 169 F C 2.078 177.882 175.800 0.006 0.000 1.154 169 F CA 0.174 58.177 58.000 0.005 0.000 1.457 169 F CB 0.049 39.054 39.000 0.009 0.000 1.106 169 F HN 0.351 nan 8.300 nan 0.000 0.585 170 G N 0.762 109.663 108.800 0.169 0.000 2.305 170 G HA2 0.210 4.175 3.960 0.007 0.000 0.243 170 G HA3 0.210 4.175 3.960 0.007 0.000 0.243 170 G C 0.495 175.442 174.900 0.078 0.000 1.288 170 G CA -0.229 44.948 45.100 0.127 0.000 0.901 170 G HN 0.391 nan 8.290 nan 0.000 0.516 171 L N 1.410 122.697 121.223 0.107 0.000 2.966 171 L HA 0.390 4.734 4.340 0.007 0.000 0.262 171 L C 1.280 178.263 176.870 0.189 0.000 1.165 171 L CA 0.034 54.944 54.840 0.116 0.000 0.978 171 L CB 0.131 42.251 42.059 0.102 0.000 1.337 171 L HN 0.628 nan 8.230 nan 0.000 0.563 172 A N -0.209 122.726 122.820 0.192 0.000 2.387 172 A HA 0.747 5.072 4.320 0.007 0.000 0.303 172 A C -0.377 177.388 177.584 0.301 0.000 1.145 172 A CA -0.672 51.498 52.037 0.221 0.000 0.801 172 A CB 1.091 20.162 19.000 0.118 0.000 1.342 172 A HN -0.023 nan 8.150 nan 0.000 0.440 173 R N 0.641 121.306 120.500 0.276 0.000 2.640 173 R HA 0.078 4.422 4.340 0.007 0.000 0.270 173 R C -0.949 175.489 176.300 0.230 0.000 1.024 173 R CA 0.296 56.553 56.100 0.261 0.000 1.085 173 R CB -0.274 30.125 30.300 0.164 0.000 0.963 173 R HN 0.670 nan 8.270 nan 0.000 0.426 174 H N 0.975 120.072 119.070 0.045 0.000 2.914 174 H HA 0.136 4.696 4.556 0.007 0.000 0.264 174 H C 0.124 175.466 175.328 0.024 0.000 1.433 174 H CA -0.026 56.035 56.048 0.020 0.000 1.342 174 H CB 0.036 29.800 29.762 0.004 0.000 1.582 174 H HN 0.515 nan 8.280 nan 0.000 0.525 175 T N -1.291 113.288 114.554 0.041 0.000 2.948 175 T HA 0.146 4.500 4.350 0.007 0.000 0.285 175 T C 1.161 175.865 174.700 0.007 0.000 1.019 175 T CA -0.977 61.143 62.100 0.033 0.000 1.013 175 T CB 1.457 70.341 68.868 0.026 0.000 1.117 175 T HN 0.261 nan 8.240 nan 0.000 0.533 176 D N 0.300 120.710 120.400 0.017 0.000 2.149 176 D HA -0.125 4.519 4.640 0.007 0.000 0.198 176 D C 1.502 177.810 176.300 0.013 0.000 0.990 176 D CA 1.435 55.445 54.000 0.017 0.000 0.839 176 D CB -0.221 40.582 40.800 0.005 0.000 0.948 176 D HN 0.762 nan 8.370 nan 0.000 0.460 177 D N 0.876 121.275 120.400 -0.001 0.000 2.144 177 D HA -0.159 4.486 4.640 0.007 0.000 0.200 177 D C 2.009 178.293 176.300 -0.027 0.000 0.978 177 D CA 1.260 55.256 54.000 -0.007 0.000 0.833 177 D CB 0.012 40.807 40.800 -0.008 0.000 0.961 177 D HN 0.429 nan 8.370 nan 0.000 0.470 178 E N -0.700 119.466 120.200 -0.056 0.000 2.274 178 E HA -0.132 4.223 4.350 0.007 0.000 0.194 178 E C 1.521 178.042 176.600 -0.131 0.000 0.996 178 E CA 0.626 56.962 56.400 -0.106 0.000 0.840 178 E CB -0.170 29.436 29.700 -0.155 0.000 0.772 178 E HN 0.231 nan 8.360 nan 0.000 0.491 179 M N 1.444 120.993 119.600 -0.084 0.000 2.561 179 M HA 0.126 4.610 4.480 0.007 0.000 0.238 179 M C 0.143 176.432 176.300 -0.018 0.000 1.131 179 M CA 0.525 55.778 55.300 -0.079 0.000 1.046 179 M CB -0.010 32.594 32.600 0.007 0.000 1.532 179 M HN -0.075 nan 8.290 nan 0.000 0.497 180 T N 1.014 115.578 114.554 0.016 0.000 2.856 180 T HA 0.558 4.913 4.350 0.007 0.000 0.292 180 T C 0.853 175.569 174.700 0.027 0.000 0.980 180 T CA 0.549 62.691 62.100 0.069 0.000 1.091 180 T CB 1.464 70.365 68.868 0.055 0.000 0.936 180 T HN 0.637 nan 8.240 nan 0.000 0.503 181 G N 2.063 110.908 108.800 0.074 0.000 2.499 181 G HA2 -0.237 3.727 3.960 0.007 0.000 0.232 181 G HA3 -0.237 3.727 3.960 0.007 0.000 0.232 181 G C -0.741 174.253 174.900 0.157 0.000 1.251 181 G CA -0.476 44.689 45.100 0.108 0.000 0.917 181 G HN 0.741 nan 8.290 nan 0.000 0.580 182 Y N 1.869 122.204 120.300 0.058 0.000 2.724 182 Y HA 0.497 5.052 4.550 0.007 0.000 0.332 182 Y C 0.742 176.627 175.900 -0.024 0.000 1.276 182 Y CA -0.170 58.029 58.100 0.166 0.000 1.597 182 Y CB -0.055 38.524 38.460 0.199 0.000 1.584 182 Y HN 1.081 nan 8.280 nan 0.000 0.478 183 V N 1.277 120.869 119.914 -0.538 0.000 2.623 183 V HA 0.706 4.831 4.120 0.007 0.000 0.304 183 V C 0.657 175.726 176.094 -1.709 0.000 1.054 183 V CA -0.393 61.369 62.300 -0.896 0.000 0.882 183 V CB 0.986 32.539 31.823 -0.450 0.000 1.002 183 V HN 0.512 nan 8.190 nan 0.000 0.424 184 A N 3.081 124.858 122.820 -1.738 0.000 2.076 184 A HA -0.116 4.209 4.320 0.007 0.000 0.220 184 A C 2.156 179.443 177.584 -0.496 0.000 1.160 184 A CA 2.596 53.881 52.037 -1.255 0.000 0.653 184 A CB -0.941 17.789 19.000 -0.450 0.000 0.801 184 A HN 1.579 nan 8.150 nan 0.000 0.455 185 T N -2.637 111.645 114.554 -0.453 0.000 2.849 185 T HA -0.181 4.173 4.350 0.007 0.000 0.270 185 T C 1.800 176.393 174.700 -0.179 0.000 1.066 185 T CA 1.558 63.513 62.100 -0.241 0.000 1.130 185 T CB -0.206 68.502 68.868 -0.267 0.000 0.864 185 T HN 0.546 nan 8.240 nan 0.000 0.481 186 R N -1.441 118.874 120.500 -0.310 0.000 2.335 186 R HA 0.144 4.488 4.340 0.007 0.000 0.210 186 R C 1.459 177.739 176.300 -0.033 0.000 0.892 186 R CA -0.163 55.820 56.100 -0.195 0.000 1.048 186 R CB 0.143 30.262 30.300 -0.302 0.000 1.067 186 R HN 0.386 nan 8.270 nan 0.000 0.524 187 W N 0.082 121.283 121.300 -0.164 0.000 2.421 187 W HA -0.095 4.570 4.660 0.008 0.000 0.270 187 W C 0.612 176.908 176.519 -0.372 0.000 1.233 187 W CA 0.593 57.747 57.345 -0.318 0.000 1.226 187 W CB -0.512 28.618 29.460 -0.550 0.000 1.121 187 W HN 0.149 nan 8.180 nan 0.000 0.579 188 Y N -0.142 120.331 120.300 0.287 0.000 2.507 188 Y HA 0.236 4.791 4.550 0.008 0.000 0.254 188 Y C 1.068 177.134 175.900 0.276 0.000 1.171 188 Y CA -0.369 57.892 58.100 0.268 0.000 1.238 188 Y CB -0.239 38.314 38.460 0.154 0.000 1.148 188 Y HN -0.420 nan 8.280 nan 0.000 0.525 189 R N 1.540 122.191 120.500 0.252 0.000 2.340 189 R HA 0.456 4.801 4.340 0.007 0.000 0.300 189 R C 0.319 176.580 176.300 -0.065 0.000 1.069 189 R CA -0.306 55.845 56.100 0.086 0.000 0.984 189 R CB 0.632 30.906 30.300 -0.043 0.000 1.003 189 R HN 0.169 nan 8.270 nan 0.000 0.459 190 A N 5.941 128.639 122.820 -0.203 0.000 2.565 190 A HA 0.076 4.400 4.320 0.007 0.000 0.237 190 A C -0.964 176.165 177.584 -0.759 0.000 1.053 190 A CA -0.790 50.794 52.037 -0.756 0.000 0.755 190 A CB -0.027 18.742 19.000 -0.385 0.000 0.980 190 A HN 0.522 nan 8.150 nan 0.000 0.506 191 P HA -0.214 nan 4.420 nan 0.000 0.218 191 P C 1.030 177.629 177.300 -1.169 0.000 1.149 191 P CA 1.584 64.083 63.100 -1.001 0.000 0.817 191 P CB 0.075 31.132 31.700 -1.072 0.000 0.785 192 E N 0.251 119.931 120.200 -0.867 0.000 2.268 192 E HA -0.123 4.231 4.350 0.007 0.000 0.195 192 E C 2.026 178.427 176.600 -0.331 0.000 0.995 192 E CA 0.702 56.786 56.400 -0.526 0.000 0.836 192 E CB -0.978 28.741 29.700 0.031 0.000 0.763 192 E HN 0.329 nan 8.360 nan 0.000 0.491 193 I N -0.208 120.153 120.570 -0.348 0.000 3.783 193 I HA 0.067 4.242 4.170 0.007 0.000 0.310 193 I C 2.309 178.290 176.117 -0.226 0.000 1.274 193 I CA 0.056 61.200 61.300 -0.259 0.000 1.294 193 I CB 0.149 37.895 38.000 -0.423 0.000 1.051 193 I HN 0.051 nan 8.210 nan 0.000 0.435 194 M N -0.072 119.340 119.600 -0.312 0.000 2.325 194 M HA -0.003 4.481 4.480 0.007 0.000 0.265 194 M C 0.583 176.804 176.300 -0.131 0.000 1.094 194 M CA 1.326 56.505 55.300 -0.203 0.000 1.161 194 M CB 0.372 32.812 32.600 -0.266 0.000 1.358 194 M HN 0.054 nan 8.290 nan 0.000 0.446 195 L N 0.892 121.903 121.223 -0.353 0.000 2.741 195 L HA 0.225 4.570 4.340 0.007 0.000 0.237 195 L C 0.296 177.091 176.870 -0.126 0.000 1.178 195 L CA 0.348 55.042 54.840 -0.244 0.000 0.973 195 L CB -1.962 39.913 42.059 -0.306 0.000 1.255 195 L HN 0.560 nan 8.230 nan 0.000 0.498 196 N N 0.089 118.720 118.700 -0.115 0.000 2.650 196 N HA -0.252 4.492 4.740 0.007 0.000 0.272 196 N C 0.547 176.155 175.510 0.163 0.000 1.058 196 N CA -0.039 53.026 53.050 0.025 0.000 0.765 196 N CB -0.196 38.314 38.487 0.038 0.000 0.902 196 N HN 0.278 nan 8.380 nan 0.000 0.551 197 W N 0.876 122.171 121.300 -0.009 0.000 2.476 197 W HA 0.175 4.840 4.660 0.008 0.000 0.281 197 W C 1.297 177.790 176.519 -0.044 0.000 1.230 197 W CA 1.037 58.368 57.345 -0.023 0.000 1.287 197 W CB -0.338 29.106 29.460 -0.026 0.000 1.108 197 W HN 0.522 nan 8.180 nan 0.000 0.567 198 M N -2.778 116.929 119.600 0.177 0.000 3.118 198 M HA 0.246 4.730 4.480 0.007 0.000 0.276 198 M C -1.000 175.300 176.300 0.001 0.000 1.099 198 M CA -0.842 54.478 55.300 0.033 0.000 0.802 198 M CB 1.492 34.155 32.600 0.105 0.000 1.618 198 M HN -0.314 nan 8.290 nan 0.000 0.535 199 H N 2.107 121.206 119.070 0.048 0.000 3.004 199 H HA 0.262 4.822 4.556 0.007 0.000 0.316 199 H C -1.109 174.216 175.328 -0.005 0.000 1.014 199 H CA 0.786 56.808 56.048 -0.043 0.000 1.454 199 H CB -0.208 29.508 29.762 -0.077 0.000 1.472 199 H HN 0.610 nan 8.280 nan 0.000 0.571 200 Y N 2.111 122.491 120.300 0.133 0.000 2.565 200 Y HA 0.414 4.968 4.550 0.007 0.000 0.325 200 Y C 0.228 176.156 175.900 0.046 0.000 1.221 200 Y CA -1.255 56.888 58.100 0.071 0.000 1.316 200 Y CB 0.972 39.454 38.460 0.036 0.000 1.404 200 Y HN 0.634 nan 8.280 nan 0.000 0.527 201 N N -1.187 117.725 118.700 0.354 0.000 3.344 201 N HA 0.129 4.873 4.740 0.007 0.000 0.296 201 N C 0.064 175.654 175.510 0.134 0.000 1.571 201 N CA -0.705 52.441 53.050 0.159 0.000 0.844 201 N CB 0.932 39.461 38.487 0.069 0.000 1.718 201 N HN 0.844 nan 8.380 nan 0.000 0.589 202 Q N -0.310 119.464 119.800 -0.043 0.000 2.156 202 Q HA -0.177 4.167 4.340 0.007 0.000 0.211 202 Q C 1.378 177.297 176.000 -0.135 0.000 0.995 202 Q CA 3.135 58.765 55.803 -0.289 0.000 0.877 202 Q CB -0.598 27.797 28.738 -0.573 0.000 0.920 202 Q HN 0.881 nan 8.270 nan 0.000 0.416 203 T N -1.251 113.305 114.554 0.003 0.000 3.077 203 T HA -0.070 4.285 4.350 0.007 0.000 0.269 203 T C 1.903 176.699 174.700 0.159 0.000 1.146 203 T CA 0.941 63.102 62.100 0.103 0.000 1.091 203 T CB -0.694 68.248 68.868 0.123 0.000 0.892 203 T HN 0.303 nan 8.240 nan 0.000 0.533 204 V N 0.629 120.614 119.914 0.119 0.000 2.332 204 V HA -0.192 3.933 4.120 0.007 0.000 0.248 204 V C 2.102 178.300 176.094 0.174 0.000 1.055 204 V CA 2.006 64.364 62.300 0.097 0.000 1.038 204 V CB -0.796 30.993 31.823 -0.058 0.000 0.651 204 V HN 0.275 nan 8.190 nan 0.000 0.450 205 D N 0.621 121.132 120.400 0.184 0.000 2.144 205 D HA -0.073 4.572 4.640 0.007 0.000 0.200 205 D C 2.267 178.690 176.300 0.204 0.000 0.978 205 D CA 1.467 55.591 54.000 0.207 0.000 0.833 205 D CB -0.150 40.829 40.800 0.298 0.000 0.961 205 D HN 0.426 nan 8.370 nan 0.000 0.470 206 I N 0.632 121.343 120.570 0.235 0.000 2.286 206 I HA -0.224 3.950 4.170 0.007 0.000 0.248 206 I C 2.358 178.596 176.117 0.202 0.000 1.115 206 I CA 0.727 62.144 61.300 0.195 0.000 1.392 206 I CB -0.991 37.125 38.000 0.194 0.000 1.065 206 I HN 0.277 nan 8.210 nan 0.000 0.418 207 W N 2.156 123.517 121.300 0.101 0.000 2.338 207 W HA -0.223 4.441 4.660 0.007 0.000 0.304 207 W C 2.516 179.117 176.519 0.136 0.000 1.212 207 W CA 1.825 59.240 57.345 0.117 0.000 1.264 207 W CB -0.318 29.200 29.460 0.095 0.000 1.142 207 W HN 0.113 nan 8.180 nan 0.000 0.512 208 S N 0.830 116.726 115.700 0.327 0.000 2.368 208 S HA -0.193 4.282 4.470 0.007 0.000 0.225 208 S C 1.874 176.542 174.600 0.114 0.000 1.030 208 S CA 1.762 60.114 58.200 0.253 0.000 0.999 208 S CB -0.810 62.504 63.200 0.190 0.000 0.844 208 S HN 0.128 nan 8.310 nan 0.000 0.459 209 V N 1.976 121.924 119.914 0.057 0.000 2.343 209 V HA -0.158 3.967 4.120 0.007 0.000 0.247 209 V C 2.681 178.758 176.094 -0.029 0.000 1.051 209 V CA 1.842 64.148 62.300 0.009 0.000 1.036 209 V CB -1.733 30.096 31.823 0.011 0.000 0.654 209 V HN 0.575 nan 8.190 nan 0.000 0.451 210 G N -0.480 108.271 108.800 -0.082 0.000 2.529 210 G HA2 -0.332 3.633 3.960 0.007 0.000 0.219 210 G HA3 -0.332 3.633 3.960 0.007 0.000 0.219 210 G C 1.730 176.514 174.900 -0.192 0.000 1.177 210 G CA 1.624 46.610 45.100 -0.189 0.000 0.773 210 G HN 0.557 nan 8.290 nan 0.000 0.573 211 C N 0.353 119.562 119.300 -0.151 0.000 2.425 211 C HA 0.064 4.528 4.460 0.007 0.000 0.277 211 C C 2.865 177.896 174.990 0.069 0.000 1.280 211 C CA 0.508 59.492 59.018 -0.057 0.000 1.744 211 C CB -1.081 26.732 27.740 0.121 0.000 1.989 211 C HN 0.470 nan 8.230 nan 0.000 0.491 212 I N 0.331 120.968 120.570 0.113 0.000 2.252 212 I HA -0.254 3.920 4.170 0.007 0.000 0.245 212 I C 2.699 178.820 176.117 0.006 0.000 1.102 212 I CA 1.594 62.938 61.300 0.074 0.000 1.385 212 I CB -0.499 37.496 38.000 -0.009 0.000 1.064 212 I HN 0.355 nan 8.210 nan 0.000 0.414 213 M N 0.910 120.489 119.600 -0.035 0.000 2.080 213 M HA -0.234 4.251 4.480 0.007 0.000 0.260 213 M C 2.516 178.739 176.300 -0.127 0.000 1.068 213 M CA 2.275 57.538 55.300 -0.062 0.000 1.109 213 M CB -0.165 32.386 32.600 -0.083 0.000 1.342 213 M HN 0.277 nan 8.290 nan 0.000 0.405 214 A N -0.013 122.686 122.820 -0.203 0.000 1.892 214 A HA -0.294 4.030 4.320 0.007 0.000 0.218 214 A C 1.943 179.492 177.584 -0.059 0.000 1.188 214 A CA 2.331 54.234 52.037 -0.224 0.000 0.631 214 A CB -1.090 17.809 19.000 -0.169 0.000 0.822 214 A HN 0.733 nan 8.150 nan 0.000 0.447 215 E N -0.401 119.780 120.200 -0.032 0.000 2.204 215 E HA -0.098 4.257 4.350 0.007 0.000 0.194 215 E C 1.847 178.458 176.600 0.018 0.000 0.989 215 E CA 0.702 57.107 56.400 0.007 0.000 0.824 215 E CB -0.156 29.582 29.700 0.062 0.000 0.756 215 E HN 0.670 nan 8.360 nan 0.000 0.477 216 L N 0.280 121.510 121.223 0.013 0.000 2.156 216 L HA -0.123 4.221 4.340 0.007 0.000 0.208 216 L C 2.326 179.218 176.870 0.037 0.000 1.095 216 L CA 0.581 55.439 54.840 0.030 0.000 0.770 216 L CB -0.281 41.802 42.059 0.041 0.000 0.914 216 L HN 0.244 nan 8.230 nan 0.000 0.439 217 L N -0.467 120.763 121.223 0.013 0.000 2.131 217 L HA -0.116 4.228 4.340 0.007 0.000 0.206 217 L C 2.662 179.563 176.870 0.052 0.000 1.087 217 L CA 1.763 56.617 54.840 0.023 0.000 0.767 217 L CB -0.581 41.453 42.059 -0.041 0.000 0.917 217 L HN 0.388 nan 8.230 nan 0.000 0.441 218 T N -4.522 110.065 114.554 0.055 0.000 3.015 218 T HA 0.208 4.562 4.350 0.007 0.000 0.250 218 T C 1.505 176.218 174.700 0.022 0.000 1.057 218 T CA 0.513 62.641 62.100 0.047 0.000 1.066 218 T CB 0.571 69.465 68.868 0.043 0.000 0.959 218 T HN 0.388 nan 8.240 nan 0.000 0.488 219 G N 1.940 110.752 108.800 0.021 0.000 2.153 219 G HA2 -0.198 3.767 3.960 0.007 0.000 0.252 219 G HA3 -0.198 3.767 3.960 0.007 0.000 0.252 219 G C -0.034 174.866 174.900 0.001 0.000 0.994 219 G CA -0.023 45.087 45.100 0.016 0.000 0.698 219 G HN 0.685 nan 8.290 nan 0.000 0.521 220 R N -0.251 120.238 120.500 -0.018 0.000 2.744 220 R HA 0.548 4.893 4.340 0.007 0.000 0.279 220 R C 0.055 176.297 176.300 -0.097 0.000 0.977 220 R CA -0.455 55.611 56.100 -0.057 0.000 0.906 220 R CB 0.644 30.897 30.300 -0.078 0.000 1.197 220 R HN 0.150 nan 8.270 nan 0.000 0.463 221 T N 2.507 116.964 114.554 -0.162 0.000 2.928 221 T HA -0.006 4.348 4.350 0.007 0.000 0.305 221 T C 1.571 176.064 174.700 -0.345 0.000 1.035 221 T CA -0.163 61.774 62.100 -0.272 0.000 1.145 221 T CB 0.571 69.103 68.868 -0.560 0.000 0.963 221 T HN 0.366 nan 8.240 nan 0.000 0.545 222 L N 2.296 123.278 121.223 -0.402 0.000 2.044 222 L HA 0.246 4.591 4.340 0.007 0.000 0.205 222 L C 0.348 176.771 176.870 -0.744 0.000 1.075 222 L CA 1.720 56.185 54.840 -0.624 0.000 0.747 222 L CB -0.119 41.440 42.059 -0.834 0.000 0.903 222 L HN 0.633 nan 8.230 nan 0.000 0.435 223 F N 1.158 120.945 119.950 -0.270 0.000 2.523 223 F HA 0.399 4.931 4.527 0.007 0.000 0.322 223 F C -2.097 173.409 175.800 -0.490 0.000 1.361 223 F CA -2.769 55.086 58.000 -0.241 0.000 1.151 223 F CB 0.026 38.990 39.000 -0.061 0.000 1.391 223 F HN 0.035 nan 8.300 nan 0.000 0.566 224 P HA 0.124 nan 4.420 nan 0.000 0.237 224 P C 0.618 177.715 177.300 -0.338 0.000 1.788 224 P CA 0.278 62.593 63.100 -1.308 0.000 1.061 224 P CB 0.312 31.387 31.700 -1.042 0.000 1.967 225 G N 1.620 110.416 108.800 -0.006 0.000 2.441 225 G HA2 0.161 4.125 3.960 0.007 0.000 0.243 225 G HA3 0.161 4.125 3.960 0.007 0.000 0.243 225 G C 1.213 176.377 174.900 0.440 0.000 1.281 225 G CA -0.160 45.075 45.100 0.224 0.000 0.854 225 G HN 0.358 nan 8.290 nan 0.000 0.560 226 T N -1.781 112.979 114.554 0.342 0.000 3.113 226 T HA 0.204 4.559 4.350 0.007 0.000 0.256 226 T C 0.418 175.265 174.700 0.245 0.000 1.131 226 T CA 0.801 63.115 62.100 0.357 0.000 1.074 226 T CB -0.396 68.570 68.868 0.163 0.000 0.944 226 T HN 0.818 nan 8.240 nan 0.000 0.516 227 D N -2.363 118.154 120.400 0.195 0.000 2.804 227 D HA 0.128 4.772 4.640 0.007 0.000 0.309 227 D C 0.380 176.754 176.300 0.124 0.000 1.311 227 D CA -0.876 53.215 54.000 0.152 0.000 0.765 227 D CB -0.067 40.822 40.800 0.147 0.000 1.293 227 D HN -0.065 nan 8.370 nan 0.000 0.434 228 H N -0.583 118.505 119.070 0.031 0.000 2.353 228 H HA -0.087 4.473 4.556 0.007 0.000 0.298 228 H C 1.385 176.720 175.328 0.011 0.000 1.103 228 H CA 1.604 57.652 56.048 -0.000 0.000 1.293 228 H CB 0.148 29.888 29.762 -0.036 0.000 1.372 228 H HN 0.313 nan 8.280 nan 0.000 0.501 229 I N 0.602 121.266 120.570 0.156 0.000 2.400 229 I HA -0.158 4.016 4.170 0.007 0.000 0.248 229 I C 2.292 178.484 176.117 0.125 0.000 1.109 229 I CA 0.894 62.270 61.300 0.128 0.000 1.425 229 I CB -1.001 37.044 38.000 0.074 0.000 1.094 229 I HN 0.160 nan 8.210 nan 0.000 0.425 230 D N 0.843 121.308 120.400 0.109 0.000 2.116 230 D HA -0.293 4.351 4.640 0.007 0.000 0.193 230 D C 2.242 178.593 176.300 0.085 0.000 0.998 230 D CA 1.677 55.736 54.000 0.098 0.000 0.836 230 D CB 0.004 40.866 40.800 0.103 0.000 0.951 230 D HN 0.317 nan 8.370 nan 0.000 0.449 231 Q N -0.843 119.006 119.800 0.081 0.000 2.079 231 Q HA -0.140 4.204 4.340 0.007 0.000 0.200 231 Q C 2.233 178.215 176.000 -0.030 0.000 0.974 231 Q CA 0.927 56.758 55.803 0.046 0.000 0.840 231 Q CB -0.212 28.557 28.738 0.051 0.000 0.898 231 Q HN 0.384 nan 8.270 nan 0.000 0.430 232 L N 1.102 122.322 121.223 -0.005 0.000 2.079 232 L HA -0.197 4.148 4.340 0.007 0.000 0.210 232 L C 1.813 178.697 176.870 0.024 0.000 1.081 232 L CA 1.854 56.692 54.840 -0.005 0.000 0.752 232 L CB -0.205 41.914 42.059 0.100 0.000 0.896 232 L HN 0.068 nan 8.230 nan 0.000 0.433 233 K N -0.739 119.696 120.400 0.058 0.000 2.057 233 K HA -0.094 4.231 4.320 0.007 0.000 0.206 233 K C 2.067 178.692 176.600 0.041 0.000 1.050 233 K CA 1.567 57.889 56.287 0.057 0.000 0.935 233 K CB -0.326 32.217 32.500 0.072 0.000 0.715 233 K HN 0.336 nan 8.250 nan 0.000 0.439 234 L N 0.934 122.182 121.223 0.042 0.000 2.042 234 L HA -0.215 4.129 4.340 0.007 0.000 0.210 234 L C 2.373 179.279 176.870 0.061 0.000 1.076 234 L CA 1.261 56.156 54.840 0.090 0.000 0.749 234 L CB -0.539 41.619 42.059 0.166 0.000 0.893 234 L HN 0.182 nan 8.230 nan 0.000 0.432 235 I N -0.323 120.126 120.570 -0.203 0.000 2.202 235 I HA -0.287 3.887 4.170 0.007 0.000 0.242 235 I C 2.349 178.459 176.117 -0.011 0.000 1.091 235 I CA 1.299 62.357 61.300 -0.403 0.000 1.368 235 I CB -0.232 37.449 38.000 -0.532 0.000 1.058 235 I HN 0.196 nan 8.210 nan 0.000 0.410 236 L N 0.216 121.454 121.223 0.025 0.000 2.275 236 L HA -0.133 4.212 4.340 0.007 0.000 0.215 236 L C 2.686 179.609 176.870 0.089 0.000 1.119 236 L CA 0.820 55.709 54.840 0.081 0.000 0.790 236 L CB -0.605 41.495 42.059 0.069 0.000 0.919 236 L HN 0.248 nan 8.230 nan 0.000 0.443 237 R N 0.522 121.069 120.500 0.078 0.000 2.092 237 R HA -0.185 4.159 4.340 0.007 0.000 0.231 237 R C 2.279 178.635 176.300 0.093 0.000 1.119 237 R CA 1.363 57.507 56.100 0.073 0.000 0.970 237 R CB -0.063 30.271 30.300 0.057 0.000 0.864 237 R HN 0.235 nan 8.270 nan 0.000 0.440 238 L N 0.337 121.642 121.223 0.136 0.000 2.049 238 L HA -0.067 4.277 4.340 0.007 0.000 0.203 238 L C 2.066 179.087 176.870 0.251 0.000 1.074 238 L CA 1.541 56.462 54.840 0.136 0.000 0.749 238 L CB -0.108 42.050 42.059 0.166 0.000 0.907 238 L HN 0.124 nan 8.230 nan 0.000 0.439 239 V N -2.354 117.739 119.914 0.297 0.000 3.506 239 V HA 0.564 4.689 4.120 0.007 0.000 0.263 239 V C 0.904 177.138 176.094 0.234 0.000 1.203 239 V CA 0.207 62.718 62.300 0.352 0.000 1.133 239 V CB -1.089 30.981 31.823 0.411 0.000 0.802 239 V HN 0.681 nan 8.190 nan 0.000 0.459 240 G N 1.020 109.925 108.800 0.175 0.000 2.675 240 G HA2 0.007 3.971 3.960 0.007 0.000 0.686 240 G HA3 0.007 3.971 3.960 0.007 0.000 0.686 240 G C -0.269 174.689 174.900 0.097 0.000 1.215 240 G CA -0.318 44.853 45.100 0.118 0.000 0.777 240 G HN 1.340 nan 8.290 nan 0.000 0.638 241 T N 0.809 115.398 114.554 0.058 0.000 2.932 241 T HA 0.566 4.921 4.350 0.007 0.000 0.312 241 T C -1.318 173.394 174.700 0.020 0.000 1.071 241 T CA -0.196 61.922 62.100 0.030 0.000 1.128 241 T CB 1.285 70.150 68.868 -0.004 0.000 0.984 241 T HN 0.734 nan 8.240 nan 0.000 0.549 242 P HA 0.290 nan 4.420 nan 0.000 0.271 242 P C 0.527 177.803 177.300 -0.040 0.000 1.218 242 P CA -0.294 62.788 63.100 -0.030 0.000 0.780 242 P CB 0.468 32.102 31.700 -0.110 0.000 0.901 243 G N 0.563 109.348 108.800 -0.026 0.000 2.588 243 G HA2 0.359 4.324 3.960 0.007 0.000 0.281 243 G HA3 0.359 4.324 3.960 0.007 0.000 0.281 243 G C 1.134 176.005 174.900 -0.048 0.000 1.236 243 G CA -0.059 45.024 45.100 -0.029 0.000 0.969 243 G HN 0.494 nan 8.290 nan 0.000 0.504 244 A N -1.046 121.749 122.820 -0.041 0.000 2.019 244 A HA -0.031 4.293 4.320 0.007 0.000 0.219 244 A C 2.011 179.568 177.584 -0.046 0.000 1.164 244 A CA 2.012 54.021 52.037 -0.047 0.000 0.644 244 A CB -0.464 18.514 19.000 -0.035 0.000 0.805 244 A HN 0.777 nan 8.150 nan 0.000 0.449 245 E N -0.432 119.749 120.200 -0.032 0.000 2.051 245 E HA -0.172 4.183 4.350 0.007 0.000 0.192 245 E C 1.911 178.490 176.600 -0.035 0.000 0.991 245 E CA 1.143 57.529 56.400 -0.024 0.000 0.799 245 E CB -0.146 29.549 29.700 -0.009 0.000 0.748 245 E HN 0.514 nan 8.360 nan 0.000 0.449 246 L N 1.039 122.235 121.223 -0.046 0.000 2.156 246 L HA -0.098 4.246 4.340 0.007 0.000 0.208 246 L C 2.164 178.955 176.870 -0.132 0.000 1.095 246 L CA 1.120 55.920 54.840 -0.067 0.000 0.770 246 L CB -0.547 41.476 42.059 -0.060 0.000 0.914 246 L HN 0.305 nan 8.230 nan 0.000 0.439 247 L N 0.087 121.225 121.223 -0.142 0.000 2.079 247 L HA -0.266 4.079 4.340 0.007 0.000 0.210 247 L C 2.600 179.388 176.870 -0.137 0.000 1.081 247 L CA 1.409 56.143 54.840 -0.177 0.000 0.752 247 L CB -0.404 41.567 42.059 -0.146 0.000 0.896 247 L HN 0.243 nan 8.230 nan 0.000 0.433 248 K N 0.199 120.546 120.400 -0.089 0.000 2.147 248 K HA -0.163 4.161 4.320 0.007 0.000 0.205 248 K C 1.897 178.463 176.600 -0.058 0.000 1.049 248 K CA 1.179 57.429 56.287 -0.063 0.000 0.936 248 K CB -0.034 32.442 32.500 -0.040 0.000 0.722 248 K HN 0.273 nan 8.250 nan 0.000 0.446 249 K N 0.533 120.897 120.400 -0.059 0.000 2.486 249 K HA 0.072 4.397 4.320 0.007 0.000 0.194 249 K C 0.221 176.794 176.600 -0.044 0.000 1.033 249 K CA 0.312 56.579 56.287 -0.032 0.000 1.004 249 K CB 0.175 32.670 32.500 -0.009 0.000 0.798 249 K HN 0.118 nan 8.250 nan 0.000 0.495 250 I N 1.751 122.256 120.570 -0.109 0.000 2.308 250 I HA -0.026 4.149 4.170 0.007 0.000 0.293 250 I C 0.919 176.986 176.117 -0.084 0.000 1.078 250 I CA -0.126 61.090 61.300 -0.139 0.000 1.292 250 I CB 1.419 39.204 38.000 -0.359 0.000 1.423 250 I HN 0.054 nan 8.210 nan 0.000 0.493 251 S N 3.010 118.687 115.700 -0.039 0.000 2.368 251 S HA -0.131 4.344 4.470 0.007 0.000 0.224 251 S C 1.195 175.776 174.600 -0.032 0.000 1.029 251 S CA 0.646 58.822 58.200 -0.040 0.000 0.988 251 S CB -0.026 63.131 63.200 -0.071 0.000 0.838 251 S HN 0.721 nan 8.310 nan 0.000 0.462 252 S N 1.865 117.558 115.700 -0.010 0.000 2.507 252 S HA 0.016 4.490 4.470 0.007 0.000 0.299 252 S C 1.071 175.665 174.600 -0.010 0.000 1.214 252 S CA -0.316 57.889 58.200 0.009 0.000 1.137 252 S CB 0.263 63.504 63.200 0.069 0.000 1.009 252 S HN 0.475 nan 8.310 nan 0.000 0.512 253 E N 3.683 123.876 120.200 -0.011 0.000 2.204 253 E HA -0.114 4.240 4.350 0.007 0.000 0.195 253 E C 1.762 178.362 176.600 -0.000 0.000 0.990 253 E CA 1.059 57.450 56.400 -0.016 0.000 0.821 253 E CB -0.132 29.561 29.700 -0.011 0.000 0.750 253 E HN 0.718 nan 8.360 nan 0.000 0.477 254 S N -0.547 115.164 115.700 0.018 0.000 2.377 254 S HA -0.026 4.449 4.470 0.007 0.000 0.223 254 S C 1.931 176.576 174.600 0.075 0.000 1.030 254 S CA 0.956 59.179 58.200 0.038 0.000 0.970 254 S CB -0.091 63.128 63.200 0.032 0.000 0.830 254 S HN 0.421 nan 8.310 nan 0.000 0.473 255 A N 2.065 124.937 122.820 0.086 0.000 1.855 255 A HA -0.026 4.298 4.320 0.007 0.000 0.215 255 A C 2.209 179.815 177.584 0.037 0.000 1.191 255 A CA 1.178 53.304 52.037 0.148 0.000 0.613 255 A CB -0.732 18.413 19.000 0.241 0.000 0.829 255 A HN 0.502 nan 8.150 nan 0.000 0.442 256 R N -0.517 119.934 120.500 -0.082 0.000 2.134 256 R HA -0.241 4.104 4.340 0.007 0.000 0.248 256 R C 2.181 178.434 176.300 -0.078 0.000 1.143 256 R CA 2.076 58.088 56.100 -0.147 0.000 0.957 256 R CB -0.606 29.621 30.300 -0.122 0.000 0.867 256 R HN 0.793 nan 8.270 nan 0.000 0.441 257 N N -0.811 117.882 118.700 -0.012 0.000 2.188 257 N HA -0.217 4.527 4.740 0.007 0.000 0.184 257 N C 1.843 177.378 175.510 0.041 0.000 1.018 257 N CA 0.846 53.901 53.050 0.009 0.000 0.858 257 N CB -0.106 38.399 38.487 0.031 0.000 0.989 257 N HN 0.200 nan 8.380 nan 0.000 0.426 258 Y N 1.584 121.876 120.300 -0.013 0.000 2.200 258 Y HA -0.057 4.497 4.550 0.007 0.000 0.290 258 Y C 1.824 177.727 175.900 0.005 0.000 1.137 258 Y CA 1.286 59.392 58.100 0.010 0.000 1.163 258 Y CB -0.334 38.151 38.460 0.040 0.000 0.988 258 Y HN 0.098 nan 8.280 nan 0.000 0.518 259 I N 0.188 120.617 120.570 -0.236 0.000 2.286 259 I HA -0.344 3.831 4.170 0.007 0.000 0.248 259 I C 2.113 178.075 176.117 -0.258 0.000 1.115 259 I CA 1.602 62.722 61.300 -0.300 0.000 1.392 259 I CB -0.552 37.316 38.000 -0.219 0.000 1.065 259 I HN 0.301 nan 8.210 nan 0.000 0.418 260 Q N 0.353 120.043 119.800 -0.183 0.000 2.436 260 Q HA -0.111 4.233 4.340 0.007 0.000 0.209 260 Q C 2.167 178.093 176.000 -0.125 0.000 0.965 260 Q CA 1.458 57.182 55.803 -0.132 0.000 0.910 260 Q CB -0.073 28.610 28.738 -0.093 0.000 0.980 260 Q HN 0.602 nan 8.270 nan 0.000 0.491 261 S N -0.627 114.972 115.700 -0.169 0.000 2.528 261 S HA 0.041 4.515 4.470 0.007 0.000 0.219 261 S C 0.620 175.131 174.600 -0.148 0.000 0.985 261 S CA -0.233 57.890 58.200 -0.128 0.000 0.914 261 S CB 0.131 63.279 63.200 -0.086 0.000 0.776 261 S HN 0.052 nan 8.310 nan 0.000 0.526 262 L N 3.136 124.232 121.223 -0.213 0.000 2.397 262 L HA 0.360 4.705 4.340 0.007 0.000 0.271 262 L C 0.533 177.350 176.870 -0.088 0.000 1.148 262 L CA 0.346 55.090 54.840 -0.160 0.000 0.825 262 L CB 0.368 42.312 42.059 -0.192 0.000 1.117 262 L HN 0.112 nan 8.230 nan 0.000 0.456 263 T N 3.453 117.975 114.554 -0.053 0.000 2.902 263 T HA 0.068 4.422 4.350 0.007 0.000 0.301 263 T C 0.279 174.963 174.700 -0.027 0.000 1.012 263 T CA -0.227 61.854 62.100 -0.032 0.000 1.151 263 T CB -0.076 68.782 68.868 -0.016 0.000 0.946 263 T HN 0.424 nan 8.240 nan 0.000 0.542 264 Q N 2.927 122.713 119.800 -0.023 0.000 2.311 264 Q HA 0.371 4.715 4.340 0.007 0.000 0.272 264 Q C -0.237 175.763 176.000 -0.001 0.000 1.012 264 Q CA 0.363 56.156 55.803 -0.016 0.000 0.891 264 Q CB 0.583 29.311 28.738 -0.016 0.000 1.201 264 Q HN 0.566 nan 8.270 nan 0.000 0.391 265 M N 3.655 123.261 119.600 0.010 0.000 2.518 265 M HA 0.483 4.968 4.480 0.007 0.000 0.300 265 M C -2.398 173.925 176.300 0.038 0.000 1.175 265 M CA -2.124 53.190 55.300 0.024 0.000 0.890 265 M CB 2.473 35.092 32.600 0.031 0.000 1.710 265 M HN 0.420 nan 8.290 nan 0.000 0.453 266 P HA 0.186 nan 4.420 nan 0.000 0.279 266 P C -1.384 175.966 177.300 0.084 0.000 1.252 266 P CA -0.547 62.586 63.100 0.054 0.000 0.811 266 P CB 0.862 32.589 31.700 0.045 0.000 1.035 267 K N 2.575 123.036 120.400 0.102 0.000 2.484 267 K HA 0.086 4.411 4.320 0.007 0.000 0.280 267 K C 0.336 177.040 176.600 0.172 0.000 1.013 267 K CA 0.045 56.428 56.287 0.161 0.000 1.029 267 K CB 0.026 32.612 32.500 0.143 0.000 0.902 267 K HN 0.416 nan 8.250 nan 0.000 0.481 268 M N 2.717 122.455 119.600 0.230 0.000 2.198 268 M HA 0.011 4.495 4.480 0.007 0.000 0.315 268 M C 0.709 177.187 176.300 0.297 0.000 1.134 268 M CA -0.262 55.151 55.300 0.189 0.000 1.171 268 M CB 0.336 32.988 32.600 0.088 0.000 1.413 268 M HN 0.586 nan 8.290 nan 0.000 0.467 269 N N 0.970 119.784 118.700 0.190 0.000 2.420 269 N HA 0.037 4.782 4.740 0.007 0.000 0.262 269 N C -0.059 175.624 175.510 0.288 0.000 1.144 269 N CA 0.197 53.374 53.050 0.212 0.000 0.952 269 N CB 0.416 38.965 38.487 0.103 0.000 1.081 269 N HN 0.436 nan 8.380 nan 0.000 0.480 270 F N 2.350 122.331 119.950 0.052 0.000 2.325 270 F HA 0.028 4.560 4.527 0.007 0.000 0.299 270 F C 2.237 178.113 175.800 0.127 0.000 1.090 270 F CA 0.562 58.634 58.000 0.120 0.000 1.392 270 F CB -0.714 38.427 39.000 0.235 0.000 1.053 270 F HN 0.661 nan 8.300 nan 0.000 0.521 271 A N -0.183 122.788 122.820 0.252 0.000 2.067 271 A HA -0.162 4.162 4.320 0.007 0.000 0.219 271 A C 1.854 179.476 177.584 0.064 0.000 1.158 271 A CA 1.590 53.717 52.037 0.150 0.000 0.661 271 A CB -0.901 18.161 19.000 0.103 0.000 0.801 271 A HN 0.479 nan 8.150 nan 0.000 0.452 272 N N -0.904 117.810 118.700 0.023 0.000 2.353 272 N HA 0.081 4.826 4.740 0.007 0.000 0.185 272 N C 1.089 176.515 175.510 -0.139 0.000 1.098 272 N CA 0.447 53.474 53.050 -0.038 0.000 0.872 272 N CB 0.425 38.898 38.487 -0.022 0.000 0.970 272 N HN 0.289 nan 8.380 nan 0.000 0.467 273 V N -0.072 119.685 119.914 -0.263 0.000 2.436 273 V HA 0.028 4.153 4.120 0.007 0.000 0.240 273 V C 0.226 175.943 176.094 -0.628 0.000 1.040 273 V CA 1.029 62.982 62.300 -0.577 0.000 1.052 273 V CB -0.186 31.016 31.823 -1.035 0.000 0.707 273 V HN 0.122 nan 8.190 nan 0.000 0.469 274 F N 1.578 121.472 119.950 -0.094 0.000 2.640 274 F HA 0.408 4.939 4.527 0.007 0.000 0.331 274 F C 0.415 176.191 175.800 -0.041 0.000 1.200 274 F CA -0.936 57.018 58.000 -0.077 0.000 1.278 274 F CB -0.671 38.284 39.000 -0.075 0.000 1.571 274 F HN -0.055 nan 8.300 nan 0.000 0.576 275 I N 1.846 122.435 120.570 0.032 0.000 2.828 275 I HA 0.026 4.200 4.170 0.007 0.000 0.292 275 I C 1.433 177.579 176.117 0.049 0.000 1.206 275 I CA 0.803 62.119 61.300 0.027 0.000 1.420 275 I CB -0.517 37.478 38.000 -0.008 0.000 1.368 275 I HN 0.765 nan 8.210 nan 0.000 0.556 276 G N 4.765 113.594 108.800 0.049 0.000 2.234 276 G HA2 -0.190 3.775 3.960 0.007 0.000 0.235 276 G HA3 -0.190 3.775 3.960 0.007 0.000 0.235 276 G C 0.578 175.508 174.900 0.050 0.000 0.997 276 G CA 0.083 45.209 45.100 0.043 0.000 0.623 276 G HN 1.028 nan 8.290 nan 0.000 0.514 277 A N 0.327 123.187 122.820 0.066 0.000 2.520 277 A HA 0.464 4.788 4.320 0.007 0.000 0.235 277 A C 0.819 178.419 177.584 0.026 0.000 1.065 277 A CA 0.611 52.674 52.037 0.044 0.000 0.764 277 A CB 0.112 19.135 19.000 0.039 0.000 1.002 277 A HN 0.918 nan 8.150 nan 0.000 0.502 278 N N 2.023 120.735 118.700 0.021 0.000 2.301 278 N HA -0.020 4.725 4.740 0.007 0.000 0.267 278 N C -1.727 173.768 175.510 -0.025 0.000 1.304 278 N CA -1.106 51.960 53.050 0.027 0.000 0.851 278 N CB 0.666 39.214 38.487 0.102 0.000 1.070 278 N HN 0.218 nan 8.380 nan 0.000 0.483 279 P HA -0.145 nan 4.420 nan 0.000 0.218 279 P C 1.297 178.580 177.300 -0.028 0.000 1.146 279 P CA 0.641 63.740 63.100 -0.001 0.000 0.813 279 P CB 0.334 32.044 31.700 0.017 0.000 0.778 280 L N -1.033 120.176 121.223 -0.022 0.000 2.131 280 L HA 0.018 4.362 4.340 0.007 0.000 0.206 280 L C 2.352 179.030 176.870 -0.320 0.000 1.087 280 L CA 1.527 56.368 54.840 0.002 0.000 0.767 280 L CB -1.942 40.218 42.059 0.167 0.000 0.917 280 L HN -0.105 nan 8.230 nan 0.000 0.441 281 A N -0.879 121.535 122.820 -0.677 0.000 1.877 281 A HA -0.167 4.157 4.320 0.007 0.000 0.216 281 A C 2.401 179.668 177.584 -0.529 0.000 1.186 281 A CA 1.948 53.366 52.037 -1.032 0.000 0.620 281 A CB -0.937 17.547 19.000 -0.860 0.000 0.822 281 A HN 0.194 nan 8.150 nan 0.000 0.443 282 V N 0.540 120.283 119.914 -0.284 0.000 2.282 282 V HA -0.320 3.804 4.120 0.007 0.000 0.249 282 V C 2.347 178.376 176.094 -0.107 0.000 1.057 282 V CA 2.674 64.906 62.300 -0.113 0.000 1.032 282 V CB -0.882 30.961 31.823 0.034 0.000 0.645 282 V HN 0.778 nan 8.190 nan 0.000 0.447 283 D N -0.528 119.809 120.400 -0.105 0.000 2.097 283 D HA -0.193 4.451 4.640 0.007 0.000 0.195 283 D C 1.977 178.209 176.300 -0.112 0.000 0.989 283 D CA 1.272 55.241 54.000 -0.051 0.000 0.827 283 D CB -0.139 40.708 40.800 0.078 0.000 0.966 283 D HN 0.266 nan 8.370 nan 0.000 0.456 284 L N 0.297 121.338 121.223 -0.304 0.000 2.042 284 L HA -0.078 4.267 4.340 0.007 0.000 0.210 284 L C 2.076 178.791 176.870 -0.258 0.000 1.076 284 L CA 1.527 56.087 54.840 -0.466 0.000 0.749 284 L CB -0.658 40.947 42.059 -0.756 0.000 0.893 284 L HN 0.225 nan 8.230 nan 0.000 0.432 285 L N -0.678 120.396 121.223 -0.247 0.000 2.042 285 L HA -0.235 4.109 4.340 0.007 0.000 0.210 285 L C 2.506 179.357 176.870 -0.033 0.000 1.076 285 L CA 1.556 56.313 54.840 -0.138 0.000 0.749 285 L CB -0.650 41.298 42.059 -0.185 0.000 0.893 285 L HN 0.364 nan 8.230 nan 0.000 0.432 286 E N 0.112 120.222 120.200 -0.150 0.000 2.204 286 E HA -0.227 4.128 4.350 0.007 0.000 0.195 286 E C 1.952 178.463 176.600 -0.148 0.000 0.990 286 E CA 1.045 57.237 56.400 -0.347 0.000 0.821 286 E CB 0.021 29.438 29.700 -0.473 0.000 0.750 286 E HN 0.495 nan 8.360 nan 0.000 0.477 287 K N -0.371 119.981 120.400 -0.079 0.000 2.356 287 K HA 0.122 4.447 4.320 0.007 0.000 0.195 287 K C 1.938 178.553 176.600 0.025 0.000 1.037 287 K CA 0.314 56.595 56.287 -0.010 0.000 1.014 287 K CB 0.251 32.763 32.500 0.019 0.000 0.815 287 K HN 0.079 nan 8.250 nan 0.000 0.507 288 M N 0.250 119.848 119.600 -0.003 0.000 2.191 288 M HA -0.014 4.470 4.480 0.007 0.000 0.262 288 M C 0.370 176.686 176.300 0.026 0.000 1.083 288 M CA 0.839 56.149 55.300 0.016 0.000 1.154 288 M CB 0.088 32.666 32.600 -0.038 0.000 1.344 288 M HN -0.025 nan 8.290 nan 0.000 0.431 289 L N 2.183 123.383 121.223 -0.038 0.000 2.650 289 L HA 0.158 4.503 4.340 0.007 0.000 0.239 289 L C -0.466 176.537 176.870 0.221 0.000 1.412 289 L CA 0.088 54.845 54.840 -0.137 0.000 1.219 289 L CB -1.538 40.476 42.059 -0.075 0.000 1.534 289 L HN -0.050 nan 8.230 nan 0.000 0.430 290 V N 0.855 120.976 119.914 0.345 0.000 2.398 290 V HA 0.143 4.268 4.120 0.007 0.000 0.286 290 V C 1.281 177.656 176.094 0.467 0.000 1.026 290 V CA -0.619 61.886 62.300 0.343 0.000 0.868 290 V CB 2.275 34.222 31.823 0.207 0.000 0.982 290 V HN 0.328 nan 8.190 nan 0.000 0.443 291 L N 2.855 124.310 121.223 0.387 0.000 2.012 291 L HA -0.023 4.321 4.340 0.007 0.000 0.210 291 L C 1.315 178.315 176.870 0.217 0.000 1.073 291 L CA 1.763 56.778 54.840 0.291 0.000 0.748 291 L CB -0.293 41.910 42.059 0.240 0.000 0.891 291 L HN 0.781 nan 8.230 nan 0.000 0.431 292 D N -1.186 119.323 120.400 0.181 0.000 2.358 292 D HA -0.015 4.629 4.640 0.007 0.000 0.258 292 D C 1.354 177.745 176.300 0.152 0.000 1.223 292 D CA 0.744 54.830 54.000 0.142 0.000 0.886 292 D CB 1.263 42.123 40.800 0.100 0.000 1.120 292 D HN 0.372 nan 8.370 nan 0.000 0.482 293 S N 2.726 118.514 115.700 0.146 0.000 2.447 293 S HA -0.155 4.320 4.470 0.007 0.000 0.233 293 S C 1.220 175.891 174.600 0.118 0.000 1.006 293 S CA 0.483 58.769 58.200 0.144 0.000 0.957 293 S CB 0.116 63.396 63.200 0.134 0.000 0.773 293 S HN 0.434 nan 8.310 nan 0.000 0.507 294 D N 2.009 122.468 120.400 0.100 0.000 2.221 294 D HA -0.029 4.615 4.640 0.007 0.000 0.204 294 D C 1.533 177.882 176.300 0.081 0.000 0.982 294 D CA 1.085 55.132 54.000 0.079 0.000 0.857 294 D CB -0.068 40.770 40.800 0.064 0.000 0.934 294 D HN 0.592 nan 8.370 nan 0.000 0.475 295 K N -0.206 120.250 120.400 0.094 0.000 2.358 295 K HA 0.172 4.496 4.320 0.007 0.000 0.200 295 K C 0.406 177.067 176.600 0.103 0.000 1.030 295 K CA -0.274 56.066 56.287 0.089 0.000 1.097 295 K CB 1.042 33.591 32.500 0.081 0.000 0.862 295 K HN -0.066 nan 8.250 nan 0.000 0.534 296 R N 1.470 122.045 120.500 0.126 0.000 2.590 296 R HA 0.145 4.489 4.340 0.007 0.000 0.274 296 R C 0.303 176.672 176.300 0.115 0.000 1.061 296 R CA -0.198 55.985 56.100 0.139 0.000 1.081 296 R CB 0.548 30.956 30.300 0.181 0.000 0.984 296 R HN 0.113 nan 8.270 nan 0.000 0.448 297 I N 2.092 122.726 120.570 0.107 0.000 2.815 297 I HA -0.104 4.070 4.170 0.007 0.000 0.291 297 I C 0.786 176.971 176.117 0.114 0.000 1.209 297 I CA 0.624 61.986 61.300 0.103 0.000 1.431 297 I CB 0.717 38.776 38.000 0.099 0.000 1.351 297 I HN 0.729 nan 8.210 nan 0.000 0.585 298 T N 3.794 118.414 114.554 0.111 0.000 2.874 298 T HA 0.471 4.826 4.350 0.007 0.000 0.281 298 T C 1.111 175.883 174.700 0.120 0.000 0.994 298 T CA -0.210 61.965 62.100 0.125 0.000 1.015 298 T CB 1.606 70.542 68.868 0.114 0.000 1.028 298 T HN 0.729 nan 8.240 nan 0.000 0.523 299 A N 1.447 124.348 122.820 0.135 0.000 1.873 299 A HA 0.048 4.372 4.320 0.007 0.000 0.218 299 A C 2.684 180.294 177.584 0.043 0.000 1.193 299 A CA 2.385 54.459 52.037 0.060 0.000 0.629 299 A CB -1.674 17.328 19.000 0.003 0.000 0.826 299 A HN 1.340 nan 8.150 nan 0.000 0.447 300 A N -1.121 121.739 122.820 0.067 0.000 1.883 300 A HA -0.248 4.077 4.320 0.007 0.000 0.217 300 A C 2.133 179.761 177.584 0.074 0.000 1.186 300 A CA 1.926 54.003 52.037 0.066 0.000 0.624 300 A CB -0.639 18.409 19.000 0.080 0.000 0.822 300 A HN 0.654 nan 8.150 nan 0.000 0.444 301 Q N -0.794 119.059 119.800 0.088 0.000 2.124 301 Q HA -0.059 4.285 4.340 0.007 0.000 0.202 301 Q C 2.353 178.428 176.000 0.124 0.000 0.977 301 Q CA 1.524 57.386 55.803 0.100 0.000 0.850 301 Q CB -0.380 28.419 28.738 0.102 0.000 0.901 301 Q HN 0.697 nan 8.270 nan 0.000 0.429 302 A N 0.424 123.322 122.820 0.131 0.000 1.969 302 A HA -0.119 4.205 4.320 0.007 0.000 0.218 302 A C 1.963 179.702 177.584 0.259 0.000 1.169 302 A CA 0.848 53.007 52.037 0.204 0.000 0.635 302 A CB -0.557 18.547 19.000 0.172 0.000 0.810 302 A HN 0.322 nan 8.150 nan 0.000 0.445 303 L N -1.045 120.226 121.223 0.079 0.000 2.261 303 L HA -0.186 4.159 4.340 0.007 0.000 0.216 303 L C 2.600 179.330 176.870 -0.234 0.000 1.114 303 L CA 0.970 55.791 54.840 -0.030 0.000 0.777 303 L CB -0.256 41.765 42.059 -0.064 0.000 0.910 303 L HN 0.452 nan 8.230 nan 0.000 0.440 304 A N -2.537 120.199 122.820 -0.140 0.000 2.308 304 A HA -0.008 4.317 4.320 0.007 0.000 0.217 304 A C 0.862 178.497 177.584 0.085 0.000 1.216 304 A CA -0.220 51.706 52.037 -0.186 0.000 0.864 304 A CB -0.429 18.573 19.000 0.004 0.000 0.902 304 A HN 0.295 nan 8.150 nan 0.000 0.499 305 H N 0.174 119.314 119.070 0.117 0.000 2.732 305 H HA 0.338 4.899 4.556 0.008 0.000 0.351 305 H C 1.294 176.688 175.328 0.109 0.000 1.090 305 H CA 0.493 56.612 56.048 0.118 0.000 1.431 305 H CB 1.277 31.119 29.762 0.134 0.000 1.447 305 H HN 0.127 nan 8.280 nan 0.000 0.582 306 A N 4.964 127.716 122.820 -0.114 0.000 2.178 306 A HA -0.218 4.106 4.320 0.007 0.000 0.218 306 A C 1.828 179.505 177.584 0.155 0.000 1.157 306 A CA 0.874 52.924 52.037 0.021 0.000 0.689 306 A CB -0.799 18.152 19.000 -0.082 0.000 0.787 306 A HN 0.821 nan 8.150 nan 0.000 0.465 307 Y N -0.650 119.734 120.300 0.141 0.000 2.333 307 Y HA -0.090 4.464 4.550 0.007 0.000 0.290 307 Y C 0.702 176.455 175.900 -0.244 0.000 1.144 307 Y CA 0.867 58.868 58.100 -0.165 0.000 1.228 307 Y CB -0.215 37.962 38.460 -0.471 0.000 0.985 307 Y HN 0.305 nan 8.280 nan 0.000 0.542 308 F N -0.903 119.142 119.950 0.159 0.000 2.668 308 F HA 0.402 4.933 4.527 0.007 0.000 0.297 308 F C 1.911 177.748 175.800 0.062 0.000 1.124 308 F CA -0.003 58.049 58.000 0.086 0.000 1.353 308 F CB -0.870 38.248 39.000 0.196 0.000 0.992 308 F HN 0.062 nan 8.300 nan 0.000 0.524 309 A N -0.152 122.755 122.820 0.145 0.000 1.940 309 A HA -0.201 4.124 4.320 0.007 0.000 0.219 309 A C 2.246 179.811 177.584 -0.032 0.000 1.176 309 A CA 1.481 53.568 52.037 0.084 0.000 0.631 309 A CB -0.285 18.736 19.000 0.036 0.000 0.814 309 A HN 0.264 nan 8.150 nan 0.000 0.446 310 Q N -1.819 117.880 119.800 -0.168 0.000 2.224 310 Q HA -0.123 4.221 4.340 0.007 0.000 0.203 310 Q C 1.129 176.765 176.000 -0.607 0.000 0.970 310 Q CA 1.449 56.977 55.803 -0.459 0.000 0.865 310 Q CB -0.283 28.008 28.738 -0.745 0.000 0.922 310 Q HN 0.911 nan 8.270 nan 0.000 0.445 311 Y N -1.679 118.526 120.300 -0.159 0.000 2.526 311 Y HA 0.146 4.700 4.550 0.008 0.000 0.265 311 Y C 0.952 176.586 175.900 -0.444 0.000 1.092 311 Y CA -0.587 57.274 58.100 -0.398 0.000 1.277 311 Y CB -0.042 37.980 38.460 -0.731 0.000 1.228 311 Y HN 0.154 nan 8.280 nan 0.000 0.507 312 H N 1.810 120.772 119.070 -0.180 0.000 3.034 312 H HA 0.056 4.616 4.556 0.007 0.000 0.324 312 H C -0.883 174.491 175.328 0.077 0.000 1.015 312 H CA 0.540 56.616 56.048 0.047 0.000 1.429 312 H CB 0.502 30.360 29.762 0.159 0.000 1.429 312 H HN 0.139 nan 8.280 nan 0.000 0.585 313 D N 7.455 127.885 120.400 0.051 0.000 2.375 313 D HA 0.121 4.765 4.640 0.007 0.000 0.241 313 D C -2.079 174.184 176.300 -0.062 0.000 1.361 313 D CA -1.980 51.954 54.000 -0.109 0.000 0.995 313 D CB 1.601 42.417 40.800 0.026 0.000 1.312 313 D HN 0.329 nan 8.370 nan 0.000 0.576 314 P HA 0.002 nan 4.420 nan 0.000 0.234 314 P C 0.094 177.416 177.300 0.038 0.000 1.167 314 P CA 0.534 63.631 63.100 -0.006 0.000 0.763 314 P CB 0.593 32.269 31.700 -0.040 0.000 0.835 315 D N -0.522 119.887 120.400 0.015 0.000 2.369 315 D HA 0.020 4.664 4.640 0.007 0.000 0.211 315 D C 0.201 176.528 176.300 0.045 0.000 1.077 315 D CA 0.493 54.511 54.000 0.030 0.000 0.842 315 D CB 0.256 41.063 40.800 0.012 0.000 0.947 315 D HN 0.155 nan 8.370 nan 0.000 0.509 316 D N 0.673 121.114 120.400 0.068 0.000 2.952 316 D HA 0.078 4.722 4.640 0.007 0.000 0.373 316 D C -0.639 175.728 176.300 0.111 0.000 1.360 316 D CA -0.083 53.960 54.000 0.073 0.000 0.788 316 D CB 0.118 40.960 40.800 0.070 0.000 1.192 316 D HN -0.105 nan 8.370 nan 0.000 0.462 317 E N 1.517 121.794 120.200 0.128 0.000 3.935 317 E HA 0.208 4.562 4.350 0.007 0.000 0.226 317 E C -2.428 174.274 176.600 0.170 0.000 1.220 317 E CA -1.437 55.058 56.400 0.157 0.000 1.226 317 E CB 1.338 31.148 29.700 0.185 0.000 1.237 317 E HN 0.265 nan 8.360 nan 0.000 0.417 318 P HA 0.038 nan 4.420 nan 0.000 0.272 318 P C 0.192 177.676 177.300 0.307 0.000 1.223 318 P CA -0.226 62.999 63.100 0.208 0.000 0.784 318 P CB 1.250 33.052 31.700 0.170 0.000 0.923 319 V N -1.376 118.667 119.914 0.214 0.000 3.096 319 V HA 0.815 4.940 4.120 0.007 0.000 0.319 319 V C 0.190 176.304 176.094 0.032 0.000 1.082 319 V CA -1.302 61.069 62.300 0.117 0.000 1.022 319 V CB 0.725 32.576 31.823 0.048 0.000 1.103 319 V HN 0.725 nan 8.190 nan 0.000 0.455 320 A N 0.987 123.605 122.820 -0.337 0.000 2.371 320 A HA 0.459 4.783 4.320 0.007 0.000 0.257 320 A C 0.069 177.620 177.584 -0.055 0.000 1.089 320 A CA -0.376 51.389 52.037 -0.454 0.000 0.794 320 A CB -0.267 18.275 19.000 -0.764 0.000 1.029 320 A HN 0.961 nan 8.150 nan 0.000 0.488 321 D N 1.580 122.005 120.400 0.043 0.000 2.419 321 D HA 0.239 4.883 4.640 0.007 0.000 0.236 321 D C -2.229 174.219 176.300 0.247 0.000 1.165 321 D CA -0.420 53.664 54.000 0.140 0.000 0.882 321 D CB -0.125 40.758 40.800 0.137 0.000 1.201 321 D HN 0.225 nan 8.370 nan 0.000 0.443 322 P HA -0.073 nan 4.420 nan 0.000 0.261 322 P C -0.792 176.613 177.300 0.176 0.000 1.173 322 P CA 0.425 63.610 63.100 0.141 0.000 0.760 322 P CB 0.088 31.846 31.700 0.096 0.000 0.783 323 Y N 3.602 123.841 120.300 -0.103 0.000 2.388 323 Y HA 0.248 4.803 4.550 0.007 0.000 0.328 323 Y C -0.148 175.678 175.900 -0.123 0.000 0.963 323 Y CA -1.497 56.426 58.100 -0.295 0.000 1.240 323 Y CB 0.486 38.686 38.460 -0.433 0.000 1.118 323 Y HN 0.269 nan 8.280 nan 0.000 0.484 324 D N 4.653 124.850 120.400 -0.340 0.000 2.338 324 D HA 0.044 4.689 4.640 0.007 0.000 0.255 324 D C -0.195 175.861 176.300 -0.407 0.000 1.237 324 D CA 0.491 54.334 54.000 -0.263 0.000 0.883 324 D CB 0.969 41.712 40.800 -0.096 0.000 1.087 324 D HN 0.823 nan 8.370 nan 0.000 0.485 325 Q N 1.765 121.379 119.800 -0.310 0.000 2.157 325 Q HA 0.051 4.396 4.340 0.007 0.000 0.229 325 Q C 1.329 177.160 176.000 -0.281 0.000 0.827 325 Q CA -0.199 55.408 55.803 -0.326 0.000 1.055 325 Q CB 0.390 28.921 28.738 -0.346 0.000 1.157 325 Q HN 0.532 nan 8.270 nan 0.000 0.482 326 S N -0.463 115.183 115.700 -0.090 0.000 2.447 326 S HA -0.170 4.304 4.470 0.007 0.000 0.233 326 S C 1.576 176.171 174.600 -0.007 0.000 1.006 326 S CA 0.677 58.845 58.200 -0.054 0.000 0.957 326 S CB -0.583 62.618 63.200 0.001 0.000 0.773 326 S HN 0.597 nan 8.310 nan 0.000 0.507 327 F N 2.234 122.235 119.950 0.086 0.000 2.216 327 F HA 0.151 4.683 4.527 0.008 0.000 0.300 327 F C 2.042 177.997 175.800 0.259 0.000 1.085 327 F CA 0.951 59.083 58.000 0.220 0.000 1.326 327 F CB -0.809 38.447 39.000 0.427 0.000 1.027 327 F HN 0.050 nan 8.300 nan 0.000 0.497 328 E N 0.888 120.601 120.200 -0.811 0.000 2.273 328 E HA -0.153 4.201 4.350 0.007 0.000 0.198 328 E C 2.118 178.639 176.600 -0.132 0.000 1.002 328 E CA 1.362 57.447 56.400 -0.526 0.000 0.828 328 E CB -0.394 28.950 29.700 -0.594 0.000 0.747 328 E HN 0.552 nan 8.360 nan 0.000 0.491 329 S N -0.042 115.614 115.700 -0.074 0.000 2.486 329 S HA 0.079 4.553 4.470 0.007 0.000 0.220 329 S C 0.828 175.460 174.600 0.053 0.000 1.011 329 S CA -0.047 58.143 58.200 -0.017 0.000 0.921 329 S CB 0.395 63.571 63.200 -0.040 0.000 0.785 329 S HN 0.134 nan 8.310 nan 0.000 0.517 330 R N 2.134 122.705 120.500 0.118 0.000 2.490 330 R HA 0.283 4.627 4.340 0.007 0.000 0.280 330 R C -1.245 175.164 176.300 0.181 0.000 1.077 330 R CA -0.158 56.003 56.100 0.102 0.000 1.065 330 R CB 0.301 30.625 30.300 0.039 0.000 1.003 330 R HN 0.056 nan 8.270 nan 0.000 0.470 331 D N 3.471 123.923 120.400 0.087 0.000 2.373 331 D HA 0.296 4.941 4.640 0.007 0.000 0.227 331 D C -0.294 175.998 176.300 -0.013 0.000 1.091 331 D CA -0.118 53.954 54.000 0.121 0.000 0.840 331 D CB 0.961 41.811 40.800 0.083 0.000 1.060 331 D HN 0.214 nan 8.370 nan 0.000 0.502 332 L N 1.245 122.429 121.223 -0.065 0.000 2.279 332 L HA 0.545 4.889 4.340 0.007 0.000 0.262 332 L C 0.245 177.031 176.870 -0.140 0.000 1.019 332 L CA -1.135 53.477 54.840 -0.380 0.000 0.823 332 L CB 1.403 42.761 42.059 -1.167 0.000 1.358 332 L HN 0.025 nan 8.230 nan 0.000 0.432 333 L N 0.679 121.804 121.223 -0.162 0.000 2.454 333 L HA 0.309 4.654 4.340 0.007 0.000 0.256 333 L C 1.337 178.247 176.870 0.066 0.000 1.136 333 L CA -0.474 54.361 54.840 -0.009 0.000 0.804 333 L CB 0.901 42.936 42.059 -0.040 0.000 1.181 333 L HN 0.573 nan 8.230 nan 0.000 0.469 334 I N 0.276 120.930 120.570 0.141 0.000 2.151 334 I HA -0.301 3.873 4.170 0.007 0.000 0.243 334 I C 1.549 177.703 176.117 0.062 0.000 1.080 334 I CA 1.667 63.077 61.300 0.184 0.000 1.339 334 I CB -0.240 37.834 38.000 0.122 0.000 1.039 334 I HN 0.760 nan 8.210 nan 0.000 0.409 335 D N 0.432 120.817 120.400 -0.025 0.000 2.263 335 D HA -0.146 4.498 4.640 0.007 0.000 0.208 335 D C 2.086 178.323 176.300 -0.105 0.000 0.971 335 D CA 0.904 54.851 54.000 -0.088 0.000 0.867 335 D CB -0.012 40.740 40.800 -0.080 0.000 0.929 335 D HN 0.443 nan 8.370 nan 0.000 0.492 336 E N -0.821 119.300 120.200 -0.131 0.000 2.060 336 E HA -0.087 4.267 4.350 0.007 0.000 0.189 336 E C 1.865 178.314 176.600 -0.251 0.000 0.974 336 E CA 0.400 56.661 56.400 -0.231 0.000 0.808 336 E CB -0.182 29.310 29.700 -0.347 0.000 0.768 336 E HN 0.425 nan 8.360 nan 0.000 0.453 337 W N 2.053 123.288 121.300 -0.108 0.000 2.338 337 W HA -0.175 4.490 4.660 0.007 0.000 0.304 337 W C 2.505 178.981 176.519 -0.073 0.000 1.212 337 W CA 0.817 58.092 57.345 -0.118 0.000 1.264 337 W CB -0.015 29.454 29.460 0.015 0.000 1.142 337 W HN 0.016 nan 8.180 nan 0.000 0.512 338 K N 0.148 120.583 120.400 0.057 0.000 2.009 338 K HA -0.239 4.085 4.320 0.007 0.000 0.210 338 K C 2.376 179.004 176.600 0.046 0.000 1.049 338 K CA 1.849 57.964 56.287 -0.286 0.000 0.929 338 K CB -0.560 31.576 32.500 -0.607 0.000 0.714 338 K HN 0.004 nan 8.250 nan 0.000 0.440 339 S N 0.106 115.813 115.700 0.012 0.000 2.383 339 S HA -0.087 4.387 4.470 0.007 0.000 0.227 339 S C 1.900 176.570 174.600 0.117 0.000 1.026 339 S CA 0.642 58.884 58.200 0.069 0.000 0.981 339 S CB -0.200 62.993 63.200 -0.012 0.000 0.818 339 S HN 0.237 nan 8.310 nan 0.000 0.472 340 L N 1.798 123.044 121.223 0.039 0.000 2.013 340 L HA -0.086 4.258 4.340 0.007 0.000 0.212 340 L C 2.714 179.758 176.870 0.290 0.000 1.073 340 L CA 2.159 57.017 54.840 0.029 0.000 0.753 340 L CB -1.646 40.213 42.059 -0.332 0.000 0.890 340 L HN 0.324 nan 8.230 nan 0.000 0.432 341 T N -2.115 112.694 114.554 0.425 0.000 2.746 341 T HA -0.251 4.104 4.350 0.007 0.000 0.267 341 T C 1.740 176.676 174.700 0.394 0.000 1.039 341 T CA 1.521 63.973 62.100 0.585 0.000 1.142 341 T CB -0.456 68.877 68.868 0.774 0.000 0.866 341 T HN 0.301 nan 8.240 nan 0.000 0.444 342 Y N 2.378 122.759 120.300 0.135 0.000 2.181 342 Y HA -0.162 4.392 4.550 0.007 0.000 0.288 342 Y C 2.092 177.921 175.900 -0.119 0.000 1.146 342 Y CA 1.210 59.140 58.100 -0.282 0.000 1.164 342 Y CB -0.481 37.739 38.460 -0.400 0.000 0.982 342 Y HN 0.167 nan 8.280 nan 0.000 0.515 343 D N 0.007 120.408 120.400 0.002 0.000 2.123 343 D HA -0.179 4.466 4.640 0.007 0.000 0.196 343 D C 1.971 178.253 176.300 -0.029 0.000 0.992 343 D CA 1.542 55.517 54.000 -0.042 0.000 0.833 343 D CB -0.123 40.708 40.800 0.053 0.000 0.954 343 D HN 0.441 nan 8.370 nan 0.000 0.455 344 E N 0.583 120.825 120.200 0.069 0.000 2.110 344 E HA -0.093 4.262 4.350 0.007 0.000 0.193 344 E C 2.508 179.139 176.600 0.051 0.000 0.988 344 E CA 0.202 56.652 56.400 0.084 0.000 0.804 344 E CB -0.349 29.418 29.700 0.112 0.000 0.745 344 E HN 0.164 nan 8.360 nan 0.000 0.458 345 V N 1.728 121.634 119.914 -0.013 0.000 2.255 345 V HA -0.241 3.883 4.120 0.007 0.000 0.247 345 V C 2.426 178.487 176.094 -0.056 0.000 1.051 345 V CA 1.583 63.856 62.300 -0.044 0.000 1.018 345 V CB -0.406 31.343 31.823 -0.124 0.000 0.641 345 V HN 0.228 nan 8.190 nan 0.000 0.445 346 I N 0.898 121.331 120.570 -0.229 0.000 2.676 346 I HA -0.131 4.043 4.170 0.007 0.000 0.259 346 I C 2.293 178.377 176.117 -0.054 0.000 1.194 346 I CA 1.482 62.663 61.300 -0.199 0.000 1.473 346 I CB -0.257 37.502 38.000 -0.403 0.000 1.096 346 I HN 0.491 nan 8.210 nan 0.000 0.443 347 S N 0.265 115.958 115.700 -0.011 0.000 2.558 347 S HA -0.028 4.447 4.470 0.007 0.000 0.217 347 S C 0.699 175.341 174.600 0.069 0.000 0.975 347 S CA -0.423 57.791 58.200 0.024 0.000 0.912 347 S CB -0.569 62.645 63.200 0.025 0.000 0.776 347 S HN 0.277 nan 8.310 nan 0.000 0.526 348 F N 3.147 123.088 119.950 -0.015 0.000 2.608 348 F HA 0.384 4.915 4.527 0.008 0.000 0.380 348 F C -0.371 175.434 175.800 0.008 0.000 1.083 348 F CA -0.370 57.633 58.000 0.004 0.000 1.266 348 F CB 0.581 39.591 39.000 0.017 0.000 1.076 348 F HN -0.080 nan 8.300 nan 0.000 0.574 349 V N 8.693 128.064 119.914 -0.906 0.000 2.409 349 V HA 0.324 4.449 4.120 0.007 0.000 0.291 349 V C -1.872 173.499 176.094 -1.205 0.000 1.020 349 V CA -1.723 60.116 62.300 -0.768 0.000 0.848 349 V CB 1.250 32.850 31.823 -0.371 0.000 0.990 349 V HN 0.702 nan 8.190 nan 0.000 0.430 350 P HA 0.231 nan 4.420 nan 0.000 0.268 350 P C -2.709 174.471 177.300 -0.201 0.000 1.208 350 P CA -1.018 61.890 63.100 -0.320 0.000 0.777 350 P CB -0.033 31.675 31.700 0.013 0.000 0.875 351 P HA 0.250 nan 4.420 nan 0.000 0.274 351 P C -2.069 175.216 177.300 -0.025 0.000 1.237 351 P CA -1.002 62.076 63.100 -0.037 0.000 0.793 351 P CB -0.842 30.868 31.700 0.016 0.000 0.977 352 P HA 0.185 nan 4.420 nan 0.000 0.290 352 P C -0.825 176.477 177.300 0.003 0.000 1.276 352 P CA -0.355 62.736 63.100 -0.014 0.000 0.808 352 P CB 0.642 32.329 31.700 -0.021 0.000 0.966 353 L N 0.937 122.167 121.223 0.011 0.000 2.395 353 L HA 0.285 4.629 4.340 0.007 0.000 0.269 353 L C 1.156 178.031 176.870 0.008 0.000 1.133 353 L CA -0.085 54.767 54.840 0.020 0.000 0.812 353 L CB -0.434 41.642 42.059 0.030 0.000 1.125 353 L HN 0.360 nan 8.230 nan 0.000 0.452 354 D N 2.129 122.534 120.400 0.008 0.000 2.137 354 D HA 0.040 4.685 4.640 0.007 0.000 0.193 354 D C 0.730 177.031 176.300 0.003 0.000 0.993 354 D CA 3.014 57.015 54.000 0.002 0.000 0.846 354 D CB 0.443 41.243 40.800 0.001 0.000 0.990 354 D HN 0.930 nan 8.370 nan 0.000 0.448 355 Q N 0.000 119.804 119.800 0.006 0.000 2.315 355 Q HA 0.000 4.344 4.340 0.007 0.000 0.214 355 Q CA 0.000 nan 55.803 nan 0.000 1.022 355 Q CB 0.000 nan 28.738 nan 0.000 1.108 355 Q HN 0.000 nan 8.270 nan 0.000 0.481