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 1mf1_1_A DATA FIRST_RESID 28 DATA SEQUENCE ATGSRVTVVL GAQWGDEGKG KVVDLLATDA DIVSRCQGGN NAGHTVVVDG DATA SEQUENCE KEYDFHLLPS GIINTKAVSF IGNGVVIHLP GLFEEAEKNE KKGLKDWEKR DATA SEQUENCE LIISDRAHLV FDFHQAVDGL QEVQRQAQEG KNIGTTKKGI GPTYSSKAAR DATA SEQUENCE TGLRICDLLS DFDEFSARFK NLAHQHQSMF PTLEIDVEGQ LKRLKGFAER DATA SEQUENCE IRPMVRDGVY FMYEALHGPP KKVLVEGANA ALLDIDFGTY PFVTSSNCTV DATA SEQUENCE GGVCTGLGIP PQNIGDVYGV VKAYTTRVGI GAFPTEQINE IGDLLQNRGH DATA SEQUENCE EWGVTTGRKR RCGWLDLMIL RYAHMVNGFT ALALTKLDIL DVLSEIKVGI DATA SEQUENCE SYKLNGKRIP YFPANQEILQ KVEVEYETLP GWKADTTGAR KWEDLPPQAQ DATA SEQUENCE SYVRFVENHM GVAVKWVGVG KSRESMIQLF 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 28 A HA 0.000 nan 4.320 nan 0.000 0.244 28 A C 0.000 177.580 177.584 -0.006 0.000 1.274 28 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 28 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 29 T N -1.665 112.866 114.554 -0.039 0.000 3.069 29 T HA 0.534 4.884 4.350 -0.000 0.000 0.252 29 T C 1.323 175.858 174.700 -0.275 0.000 1.053 29 T CA 1.341 63.416 62.100 -0.042 0.000 0.964 29 T CB 0.193 69.044 68.868 -0.028 0.000 1.005 29 T HN 2.622 nan 8.240 nan 0.000 0.532 30 G N 1.095 109.735 108.800 -0.266 0.000 2.466 30 G HA2 0.048 4.008 3.960 -0.000 0.000 0.316 30 G HA3 0.048 4.008 3.960 -0.000 0.000 0.316 30 G C -0.700 174.038 174.900 -0.271 0.000 1.270 30 G CA -0.569 44.295 45.100 -0.394 0.000 0.982 30 G HN 0.515 nan 8.290 nan 0.000 0.506 31 S N 0.260 115.797 115.700 -0.271 0.000 2.565 31 S HA 0.593 5.063 4.470 -0.000 0.000 0.274 31 S C 0.605 175.109 174.600 -0.161 0.000 1.309 31 S CA -0.357 57.736 58.200 -0.178 0.000 1.043 31 S CB 1.134 64.239 63.200 -0.159 0.000 0.939 31 S HN 0.649 nan 8.310 nan 0.000 0.504 32 R N 1.253 121.688 120.500 -0.108 0.000 2.428 32 R HA 0.466 4.806 4.340 -0.000 0.000 0.294 32 R C -0.004 176.259 176.300 -0.061 0.000 1.000 32 R CA -0.694 55.356 56.100 -0.084 0.000 0.960 32 R CB 1.002 31.261 30.300 -0.068 0.000 1.076 32 R HN 0.577 nan 8.270 nan 0.000 0.475 33 V N -0.269 119.617 119.914 -0.047 0.000 2.953 33 V HA 0.433 4.553 4.120 -0.000 0.000 0.304 33 V C -0.039 176.038 176.094 -0.028 0.000 1.073 33 V CA -0.355 61.930 62.300 -0.024 0.000 1.064 33 V CB 1.714 33.538 31.823 0.000 0.000 1.047 33 V HN 0.657 nan 8.190 nan 0.000 0.478 34 T N 3.408 117.955 114.554 -0.011 0.000 2.771 34 T HA 0.636 4.986 4.350 -0.000 0.000 0.281 34 T C -0.351 174.351 174.700 0.004 0.000 0.982 34 T CA -0.326 61.758 62.100 -0.027 0.000 0.978 34 T CB 1.257 70.145 68.868 0.033 0.000 0.930 34 T HN 0.718 nan 8.240 nan 0.000 0.447 35 V N 3.739 123.639 119.914 -0.025 0.000 2.513 35 V HA 0.533 4.653 4.120 -0.000 0.000 0.299 35 V C -0.260 175.889 176.094 0.092 0.000 1.035 35 V CA -0.778 61.544 62.300 0.037 0.000 0.889 35 V CB 1.986 33.830 31.823 0.035 0.000 0.988 35 V HN 0.693 nan 8.190 nan 0.000 0.440 36 V N 6.395 126.373 119.914 0.107 0.000 2.409 36 V HA 0.557 4.677 4.120 -0.000 0.000 0.291 36 V C -0.353 175.796 176.094 0.092 0.000 1.020 36 V CA -0.331 62.036 62.300 0.112 0.000 0.848 36 V CB 1.432 33.282 31.823 0.046 0.000 0.990 36 V HN 0.638 nan 8.190 nan 0.000 0.430 37 L N 3.412 124.703 121.223 0.112 0.000 2.354 37 L HA 0.792 5.132 4.340 -0.000 0.000 0.264 37 L C 0.675 177.585 176.870 0.068 0.000 1.008 37 L CA -0.738 54.180 54.840 0.131 0.000 0.819 37 L CB 2.141 44.349 42.059 0.248 0.000 1.339 37 L HN 0.702 nan 8.230 nan 0.000 0.420 38 G N 0.026 108.870 108.800 0.073 0.000 2.390 38 G HA2 0.463 4.423 3.960 -0.000 0.000 0.270 38 G HA3 0.463 4.423 3.960 -0.000 0.000 0.270 38 G C 0.389 175.329 174.900 0.067 0.000 1.211 38 G CA 0.178 45.295 45.100 0.029 0.000 0.842 38 G HN 0.813 nan 8.290 nan 0.000 0.519 39 A N 1.938 124.759 122.820 0.001 0.000 2.303 39 A HA 0.327 4.647 4.320 -0.000 0.000 0.217 39 A C 1.353 178.920 177.584 -0.028 0.000 1.205 39 A CA 0.539 52.611 52.037 0.058 0.000 0.875 39 A CB 0.278 19.240 19.000 -0.064 0.000 0.910 39 A HN 0.655 nan 8.150 nan 0.000 0.501 40 Q N -2.245 117.517 119.800 -0.063 0.000 3.079 40 Q HA 0.258 4.598 4.340 -0.000 0.000 0.210 40 Q C -0.102 175.785 176.000 -0.189 0.000 1.169 40 Q CA -0.480 55.231 55.803 -0.154 0.000 0.315 40 Q CB 0.409 29.120 28.738 -0.046 0.000 5.815 40 Q HN 0.602 nan 8.270 nan 0.000 0.311 41 W N 0.983 122.273 121.300 -0.018 0.000 2.357 41 W HA 0.507 5.167 4.660 -0.000 0.000 0.386 41 W C -0.090 176.420 176.519 -0.016 0.000 0.889 41 W CA 0.750 58.081 57.345 -0.023 0.000 2.425 41 W CB 0.564 29.963 29.460 -0.101 0.000 1.244 41 W HN 0.717 nan 8.180 nan 0.000 0.646 42 G N 1.033 109.933 108.800 0.166 0.000 2.592 42 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.684 42 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.684 42 G C 0.039 174.975 174.900 0.061 0.000 1.291 42 G CA -0.496 44.674 45.100 0.116 0.000 0.891 42 G HN 0.073 nan 8.290 nan 0.000 0.544 43 D N -0.783 119.644 120.400 0.045 0.000 2.792 43 D HA -0.165 4.475 4.640 -0.000 0.000 0.231 43 D C 1.185 177.452 176.300 -0.055 0.000 1.160 43 D CA 1.670 55.669 54.000 -0.002 0.000 0.697 43 D CB -0.513 40.289 40.800 0.003 0.000 1.070 43 D HN 0.709 nan 8.370 nan 0.000 0.426 44 E N -0.234 119.927 120.200 -0.065 0.000 2.482 44 E HA 0.241 4.591 4.350 -0.000 0.000 0.196 44 E C 1.704 178.232 176.600 -0.120 0.000 1.047 44 E CA 0.831 57.170 56.400 -0.101 0.000 0.869 44 E CB 0.135 29.781 29.700 -0.090 0.000 0.836 44 E HN 0.511 nan 8.360 nan 0.000 0.520 45 G N 0.903 109.627 108.800 -0.127 0.000 2.145 45 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.176 45 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.176 45 G C 0.697 175.484 174.900 -0.189 0.000 1.013 45 G CA 0.222 45.240 45.100 -0.135 0.000 0.689 45 G HN 0.209 nan 8.290 nan 0.000 0.506 46 K N -0.006 120.233 120.400 -0.267 0.000 2.074 46 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 46 K C 2.777 179.162 176.600 -0.357 0.000 1.048 46 K CA 1.502 57.577 56.287 -0.354 0.000 0.926 46 K CB -0.305 31.883 32.500 -0.521 0.000 0.713 46 K HN 0.464 nan 8.250 nan 0.000 0.444 47 G N 2.011 110.584 108.800 -0.379 0.000 2.442 47 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.219 47 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.219 47 G C 1.449 176.294 174.900 -0.092 0.000 1.141 47 G CA 1.015 46.029 45.100 -0.142 0.000 0.763 47 G HN 0.277 nan 8.290 nan 0.000 0.554 48 K N -0.063 120.267 120.400 -0.117 0.000 2.026 48 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 48 K C 2.524 179.010 176.600 -0.189 0.000 1.048 48 K CA 1.430 57.647 56.287 -0.116 0.000 0.929 48 K CB -0.199 32.233 32.500 -0.113 0.000 0.713 48 K HN 0.214 nan 8.250 nan 0.000 0.439 49 V N 0.496 120.262 119.914 -0.246 0.000 2.453 49 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 49 V C 2.266 178.179 176.094 -0.302 0.000 1.048 49 V CA 1.101 63.180 62.300 -0.368 0.000 1.049 49 V CB 0.079 31.673 31.823 -0.381 0.000 0.672 49 V HN 0.137 nan 8.190 nan 0.000 0.457 50 V N 0.807 120.608 119.914 -0.189 0.000 2.237 50 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 50 V C 2.526 178.558 176.094 -0.104 0.000 1.046 50 V CA 2.474 64.704 62.300 -0.117 0.000 1.007 50 V CB -0.702 31.084 31.823 -0.061 0.000 0.638 50 V HN 0.713 nan 8.190 nan 0.000 0.445 51 D N -0.067 120.287 120.400 -0.078 0.000 2.158 51 D HA -0.226 4.414 4.640 -0.000 0.000 0.197 51 D C 2.122 178.375 176.300 -0.079 0.000 0.995 51 D CA 1.851 55.822 54.000 -0.049 0.000 0.846 51 D CB 0.041 40.844 40.800 0.005 0.000 0.941 51 D HN 0.364 nan 8.370 nan 0.000 0.456 52 L N 0.594 121.729 121.223 -0.146 0.000 2.056 52 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 52 L C 2.368 179.140 176.870 -0.164 0.000 1.078 52 L CA 1.260 55.993 54.840 -0.178 0.000 0.749 52 L CB -0.586 41.285 42.059 -0.314 0.000 0.901 52 L HN 0.069 nan 8.230 nan 0.000 0.433 53 L N -0.653 120.451 121.223 -0.198 0.000 2.313 53 L HA -0.010 4.330 4.340 -0.000 0.000 0.214 53 L C 2.440 179.284 176.870 -0.044 0.000 1.119 53 L CA 0.725 55.494 54.840 -0.118 0.000 0.809 53 L CB -0.593 41.396 42.059 -0.116 0.000 0.933 53 L HN 0.374 nan 8.230 nan 0.000 0.449 54 A N -0.129 122.662 122.820 -0.049 0.000 2.021 54 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 54 A C 2.327 179.901 177.584 -0.016 0.000 1.163 54 A CA 1.289 53.311 52.037 -0.025 0.000 0.676 54 A CB -0.728 18.252 19.000 -0.033 0.000 0.818 54 A HN 0.484 nan 8.150 nan 0.000 0.453 55 T N 0.084 114.626 114.554 -0.020 0.000 2.824 55 T HA -0.359 3.991 4.350 -0.000 0.000 0.259 55 T C 1.226 175.927 174.700 0.001 0.000 1.024 55 T CA 2.357 64.453 62.100 -0.007 0.000 1.164 55 T CB -0.703 68.162 68.868 -0.005 0.000 0.836 55 T HN 0.678 nan 8.240 nan 0.000 0.485 56 D N 1.622 122.025 120.400 0.004 0.000 2.597 56 D HA 0.381 5.021 4.640 -0.000 0.000 0.261 56 D C 1.065 177.369 176.300 0.007 0.000 1.023 56 D CA 0.295 54.300 54.000 0.008 0.000 0.927 56 D CB -1.040 39.767 40.800 0.013 0.000 1.168 56 D HN 0.767 nan 8.370 nan 0.000 0.491 57 A N 1.369 124.194 122.820 0.008 0.000 2.583 57 A HA -0.150 4.170 4.320 -0.000 0.000 0.254 57 A C 0.955 178.543 177.584 0.007 0.000 0.960 57 A CA 1.009 53.052 52.037 0.009 0.000 0.904 57 A CB 0.012 19.019 19.000 0.012 0.000 0.827 57 A HN 0.252 nan 8.150 nan 0.000 0.450 58 D N 0.961 121.362 120.400 0.002 0.000 2.149 58 D HA 0.052 4.692 4.640 -0.000 0.000 0.201 58 D C 0.525 176.836 176.300 0.019 0.000 0.972 58 D CA 1.440 55.440 54.000 0.000 0.000 0.835 58 D CB 0.061 40.848 40.800 -0.021 0.000 0.966 58 D HN 0.606 nan 8.370 nan 0.000 0.476 59 I N 0.822 121.408 120.570 0.026 0.000 2.533 59 I HA 0.205 4.375 4.170 -0.000 0.000 0.290 59 I C -0.988 175.170 176.117 0.068 0.000 1.056 59 I CA -0.750 60.589 61.300 0.065 0.000 1.057 59 I CB 3.184 41.232 38.000 0.080 0.000 1.240 59 I HN -0.388 nan 8.210 nan 0.000 0.423 60 V N 4.736 124.697 119.914 0.080 0.000 2.444 60 V HA 0.545 4.665 4.120 -0.000 0.000 0.294 60 V C -0.074 176.085 176.094 0.107 0.000 1.022 60 V CA -0.362 61.976 62.300 0.065 0.000 0.850 60 V CB 1.752 33.583 31.823 0.013 0.000 0.992 60 V HN 0.897 nan 8.190 nan 0.000 0.426 61 S N 4.688 120.466 115.700 0.130 0.000 2.671 61 S HA 0.920 5.390 4.470 -0.000 0.000 0.299 61 S C -0.817 173.836 174.600 0.088 0.000 1.116 61 S CA -1.044 57.258 58.200 0.170 0.000 0.912 61 S CB 2.675 66.093 63.200 0.364 0.000 1.130 61 S HN 0.576 nan 8.310 nan 0.000 0.501 62 R N -0.327 120.192 120.500 0.031 0.000 2.534 62 R HA 0.628 4.968 4.340 -0.000 0.000 0.301 62 R C 0.402 176.699 176.300 -0.006 0.000 0.961 62 R CA -0.354 55.744 56.100 -0.002 0.000 0.871 62 R CB 0.963 31.227 30.300 -0.061 0.000 1.170 62 R HN 0.994 nan 8.270 nan 0.000 0.446 63 C N 1.225 120.546 119.300 0.034 0.000 3.123 63 C HA 0.503 4.963 4.460 -0.000 0.000 0.399 63 C C -0.234 174.787 174.990 0.052 0.000 1.320 63 C CA -0.275 58.772 59.018 0.048 0.000 1.949 63 C CB 0.189 27.978 27.740 0.082 0.000 2.692 63 C HN 0.554 nan 8.230 nan 0.000 0.623 64 Q N 0.554 120.388 119.800 0.057 0.000 2.462 64 Q HA 0.574 4.914 4.340 -0.000 0.000 0.285 64 Q C -0.029 176.028 176.000 0.095 0.000 1.035 64 Q CA 0.805 56.660 55.803 0.086 0.000 0.799 64 Q CB 1.799 30.574 28.738 0.062 0.000 1.452 64 Q HN 1.020 nan 8.270 nan 0.000 0.404 65 G N -0.309 108.601 108.800 0.183 0.000 2.685 65 G HA2 0.120 4.080 3.960 -0.000 0.000 0.387 65 G HA3 0.120 4.080 3.960 -0.000 0.000 0.387 65 G C -0.282 174.671 174.900 0.088 0.000 1.324 65 G CA -0.330 44.871 45.100 0.169 0.000 0.878 65 G HN 0.886 nan 8.290 nan 0.000 0.527 66 G N -1.113 107.714 108.800 0.044 0.000 3.209 66 G HA2 0.654 4.614 3.960 -0.000 0.000 0.236 66 G HA3 0.654 4.614 3.960 -0.000 0.000 0.236 66 G C 0.492 175.381 174.900 -0.017 0.000 1.329 66 G CA 0.402 45.489 45.100 -0.020 0.000 1.015 66 G HN 1.616 nan 8.290 nan 0.000 0.571 67 N N 0.766 119.459 118.700 -0.012 0.000 3.193 67 N HA 0.008 4.748 4.740 -0.000 0.000 0.312 67 N C -0.101 175.457 175.510 0.080 0.000 1.261 67 N CA -0.139 52.929 53.050 0.030 0.000 1.208 67 N CB -0.332 38.166 38.487 0.020 0.000 1.471 67 N HN 0.563 nan 8.380 nan 0.000 0.548 68 N N -1.027 117.702 118.700 0.048 0.000 2.545 68 N HA 0.095 4.835 4.740 -0.000 0.000 0.283 68 N C 0.027 175.516 175.510 -0.035 0.000 1.596 68 N CA -0.386 52.700 53.050 0.060 0.000 0.862 68 N CB 0.061 38.577 38.487 0.047 0.000 1.422 68 N HN 0.170 nan 8.380 nan 0.000 0.489 69 A N 0.632 123.358 122.820 -0.156 0.000 1.935 69 A HA 0.412 4.732 4.320 -0.000 0.000 0.214 69 A C 1.647 179.032 177.584 -0.332 0.000 1.178 69 A CA 1.049 52.872 52.037 -0.357 0.000 0.640 69 A CB -0.971 17.611 19.000 -0.696 0.000 0.825 69 A HN 0.914 nan 8.150 nan 0.000 0.447 70 G N -0.038 108.477 108.800 -0.474 0.000 2.366 70 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.299 70 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.299 70 G C -0.152 174.704 174.900 -0.072 0.000 1.020 70 G CA 0.538 45.376 45.100 -0.437 0.000 1.026 70 G HN 0.854 nan 8.290 nan 0.000 0.512 71 H N 0.793 119.767 119.070 -0.161 0.000 2.820 71 H HA 0.311 4.867 4.556 -0.000 0.000 0.278 71 H C 0.412 175.749 175.328 0.015 0.000 1.142 71 H CA -0.324 55.705 56.048 -0.031 0.000 1.346 71 H CB 0.581 30.362 29.762 0.031 0.000 1.438 71 H HN 0.203 nan 8.280 nan 0.000 0.473 72 T N 3.873 118.483 114.554 0.093 0.000 2.814 72 T HA 0.171 4.521 4.350 -0.000 0.000 0.297 72 T C 0.296 175.050 174.700 0.091 0.000 0.956 72 T CA -0.436 61.696 62.100 0.054 0.000 1.123 72 T CB 0.769 69.641 68.868 0.007 0.000 0.902 72 T HN 0.209 nan 8.240 nan 0.000 0.528 73 V N 4.502 124.508 119.914 0.153 0.000 2.444 73 V HA 0.376 4.496 4.120 -0.000 0.000 0.294 73 V C -0.200 176.017 176.094 0.204 0.000 1.022 73 V CA -0.826 61.604 62.300 0.217 0.000 0.850 73 V CB 1.874 33.923 31.823 0.376 0.000 0.992 73 V HN 0.687 nan 8.190 nan 0.000 0.426 74 V N 5.799 125.776 119.914 0.106 0.000 2.357 74 V HA 0.537 4.657 4.120 -0.000 0.000 0.284 74 V C -0.354 175.786 176.094 0.077 0.000 1.018 74 V CA -0.416 61.910 62.300 0.044 0.000 0.841 74 V CB 1.779 33.606 31.823 0.005 0.000 0.991 74 V HN 0.612 nan 8.190 nan 0.000 0.437 75 V N 4.121 124.092 119.914 0.096 0.000 2.498 75 V HA 0.424 4.544 4.120 -0.000 0.000 0.283 75 V C -0.899 175.241 176.094 0.077 0.000 1.015 75 V CA -0.699 61.671 62.300 0.116 0.000 0.867 75 V CB 1.361 33.309 31.823 0.207 0.000 1.025 75 V HN 0.979 nan 8.190 nan 0.000 0.441 76 D N 3.780 124.205 120.400 0.041 0.000 3.187 76 D HA -0.128 4.512 4.640 -0.000 0.000 0.244 76 D C 1.302 177.601 176.300 -0.001 0.000 1.114 76 D CA 1.545 55.561 54.000 0.027 0.000 0.920 76 D CB -0.985 39.842 40.800 0.045 0.000 0.970 76 D HN 1.351 nan 8.370 nan 0.000 0.418 77 G N 0.746 109.537 108.800 -0.015 0.000 2.352 77 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.295 77 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.295 77 G C 0.375 175.226 174.900 -0.082 0.000 0.991 77 G CA 1.161 46.239 45.100 -0.035 0.000 0.796 77 G HN 0.596 nan 8.290 nan 0.000 0.511 78 K N 0.459 120.778 120.400 -0.135 0.000 2.572 78 K HA 0.343 4.663 4.320 -0.000 0.000 0.244 78 K C -0.004 176.259 176.600 -0.562 0.000 0.965 78 K CA -0.457 55.647 56.287 -0.305 0.000 0.943 78 K CB 0.832 33.195 32.500 -0.228 0.000 1.154 78 K HN 0.388 nan 8.250 nan 0.000 0.447 79 E N 2.427 122.334 120.200 -0.490 0.000 2.266 79 E HA 0.203 4.553 4.350 -0.000 0.000 0.277 79 E C -0.997 175.222 176.600 -0.634 0.000 1.018 79 E CA -0.535 55.606 56.400 -0.432 0.000 0.840 79 E CB 1.051 30.638 29.700 -0.189 0.000 1.082 79 E HN 0.324 nan 8.360 nan 0.000 0.395 80 Y N 0.421 120.641 120.300 -0.133 0.000 2.524 80 Y HA 0.289 4.839 4.550 0.000 0.000 0.344 80 Y C -0.255 175.421 175.900 -0.373 0.000 1.012 80 Y CA -1.056 56.837 58.100 -0.346 0.000 1.068 80 Y CB 1.707 39.876 38.460 -0.484 0.000 1.249 80 Y HN 0.334 nan 8.280 nan 0.000 0.468 81 D N 2.789 122.994 120.400 -0.326 0.000 2.378 81 D HA 0.216 4.856 4.640 -0.000 0.000 0.265 81 D C -1.298 174.934 176.300 -0.114 0.000 1.229 81 D CA -0.102 53.819 54.000 -0.132 0.000 0.914 81 D CB 0.562 41.422 40.800 0.099 0.000 1.140 81 D HN 0.189 nan 8.370 nan 0.000 0.516 82 F N 0.471 120.499 119.950 0.131 0.000 2.384 82 F HA 0.248 4.775 4.527 0.000 0.000 0.338 82 F C 1.540 177.324 175.800 -0.027 0.000 1.103 82 F CA -0.216 57.854 58.000 0.116 0.000 1.157 82 F CB 1.061 40.075 39.000 0.024 0.000 1.167 82 F HN 0.240 nan 8.300 nan 0.000 0.529 83 H N 0.934 120.064 119.070 0.101 0.000 2.926 83 H HA 0.286 4.842 4.556 -0.000 0.000 0.249 83 H C 1.172 176.463 175.328 -0.062 0.000 0.963 83 H CA 0.322 56.359 56.048 -0.019 0.000 1.158 83 H CB 0.545 30.296 29.762 -0.019 0.000 1.445 83 H HN 0.605 nan 8.280 nan 0.000 0.452 84 L N -0.576 120.695 121.223 0.081 0.000 2.758 84 L HA 0.352 4.692 4.340 -0.000 0.000 0.234 84 L C -0.501 176.329 176.870 -0.067 0.000 1.049 84 L CA 0.184 55.008 54.840 -0.026 0.000 0.908 84 L CB 0.703 42.728 42.059 -0.058 0.000 1.362 84 L HN -0.024 nan 8.230 nan 0.000 0.499 85 L N 2.176 123.367 121.223 -0.053 0.000 2.416 85 L HA 0.211 4.551 4.340 -0.000 0.000 0.272 85 L C -2.048 174.694 176.870 -0.212 0.000 1.161 85 L CA -1.696 53.056 54.840 -0.147 0.000 0.845 85 L CB 0.078 42.020 42.059 -0.195 0.000 1.119 85 L HN -0.068 nan 8.230 nan 0.000 0.464 86 P HA 0.014 nan 4.420 nan 0.000 0.266 86 P C 0.215 177.300 177.300 -0.358 0.000 1.195 86 P CA 0.131 63.122 63.100 -0.181 0.000 0.768 86 P CB 0.670 32.304 31.700 -0.109 0.000 0.838 87 S N 1.878 117.450 115.700 -0.213 0.000 2.528 87 S HA -0.076 4.394 4.470 -0.000 0.000 0.244 87 S C 1.824 176.251 174.600 -0.289 0.000 0.982 87 S CA 1.377 59.433 58.200 -0.240 0.000 0.953 87 S CB -0.707 62.516 63.200 0.039 0.000 0.754 87 S HN 0.743 nan 8.310 nan 0.000 0.529 88 G N 0.469 109.125 108.800 -0.240 0.000 3.088 88 G HA2 0.064 4.024 3.960 -0.000 0.000 0.217 88 G HA3 0.064 4.024 3.960 -0.000 0.000 0.217 88 G C 1.040 175.818 174.900 -0.204 0.000 1.159 88 G CA -0.299 44.700 45.100 -0.169 0.000 0.760 88 G HN 0.471 nan 8.290 nan 0.000 0.550 89 I N 1.025 121.388 120.570 -0.344 0.000 2.623 89 I HA -0.134 4.036 4.170 -0.000 0.000 0.261 89 I C 2.223 178.225 176.117 -0.191 0.000 1.204 89 I CA 0.736 61.876 61.300 -0.267 0.000 1.444 89 I CB -0.047 37.716 38.000 -0.395 0.000 1.094 89 I HN 0.218 nan 8.210 nan 0.000 0.451 90 I N 0.043 120.465 120.570 -0.248 0.000 2.086 90 I HA -0.258 3.912 4.170 -0.000 0.000 0.233 90 I C 1.175 177.254 176.117 -0.063 0.000 1.060 90 I CA 0.768 61.977 61.300 -0.152 0.000 1.326 90 I CB -0.726 37.169 38.000 -0.175 0.000 1.067 90 I HN 0.226 nan 8.210 nan 0.000 0.398 91 N N 1.947 120.614 118.700 -0.054 0.000 2.236 91 N HA -0.124 4.616 4.740 -0.000 0.000 0.274 91 N C 0.989 176.497 175.510 -0.004 0.000 1.339 91 N CA 0.925 53.964 53.050 -0.019 0.000 0.845 91 N CB 0.843 39.318 38.487 -0.019 0.000 1.091 91 N HN 0.315 nan 8.380 nan 0.000 0.489 92 T N 1.382 115.944 114.554 0.012 0.000 2.985 92 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 92 T C 1.610 176.322 174.700 0.020 0.000 1.076 92 T CA 0.531 62.645 62.100 0.023 0.000 1.135 92 T CB 0.128 69.014 68.868 0.030 0.000 0.890 92 T HN 0.439 nan 8.240 nan 0.000 0.480 93 K N 2.093 122.502 120.400 0.016 0.000 2.217 93 K HA 0.216 4.536 4.320 -0.000 0.000 0.202 93 K C 0.965 177.575 176.600 0.016 0.000 1.051 93 K CA 0.500 56.796 56.287 0.014 0.000 0.952 93 K CB -0.396 32.110 32.500 0.011 0.000 0.736 93 K HN 0.490 nan 8.250 nan 0.000 0.453 94 A N 0.891 123.720 122.820 0.015 0.000 2.264 94 A HA 0.480 4.800 4.320 -0.000 0.000 0.304 94 A C -0.561 177.043 177.584 0.034 0.000 1.100 94 A CA -0.615 51.435 52.037 0.021 0.000 0.839 94 A CB 1.167 20.175 19.000 0.012 0.000 1.121 94 A HN -0.014 nan 8.150 nan 0.000 0.496 95 V N 1.165 121.113 119.914 0.056 0.000 2.427 95 V HA 0.390 4.510 4.120 -0.000 0.000 0.286 95 V C 0.393 176.541 176.094 0.090 0.000 1.034 95 V CA -0.411 61.939 62.300 0.083 0.000 0.893 95 V CB 1.390 33.296 31.823 0.138 0.000 0.982 95 V HN 0.804 nan 8.190 nan 0.000 0.452 96 S N 4.610 120.354 115.700 0.072 0.000 2.475 96 S HA 0.625 5.095 4.470 -0.000 0.000 0.281 96 S C -0.771 173.897 174.600 0.113 0.000 1.198 96 S CA -0.210 58.026 58.200 0.060 0.000 1.063 96 S CB 0.355 63.556 63.200 0.001 0.000 0.972 96 S HN 0.542 nan 8.310 nan 0.000 0.486 97 F N 3.963 123.869 119.950 -0.073 0.000 2.520 97 F HA 0.626 5.153 4.527 -0.000 0.000 0.322 97 F C -0.927 174.818 175.800 -0.091 0.000 1.103 97 F CA -1.189 56.734 58.000 -0.127 0.000 0.926 97 F CB 0.836 39.762 39.000 -0.123 0.000 1.154 97 F HN 0.403 nan 8.300 nan 0.000 0.453 98 I N 5.645 125.672 120.570 -0.905 0.000 2.390 98 I HA 0.355 4.525 4.170 -0.000 0.000 0.283 98 I C 0.703 176.195 176.117 -1.040 0.000 1.016 98 I CA -0.611 60.269 61.300 -0.701 0.000 1.151 98 I CB 1.048 38.806 38.000 -0.402 0.000 1.293 98 I HN 0.761 nan 8.210 nan 0.000 0.458 99 G N 4.449 112.843 108.800 -0.677 0.000 2.683 99 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.260 99 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.260 99 G C 0.992 175.787 174.900 -0.174 0.000 1.238 99 G CA -0.425 44.456 45.100 -0.364 0.000 0.934 99 G HN 0.784 nan 8.290 nan 0.000 0.534 100 N N -0.412 118.280 118.700 -0.014 0.000 2.396 100 N HA -0.073 4.667 4.740 -0.000 0.000 0.180 100 N C 1.873 177.431 175.510 0.081 0.000 1.028 100 N CA 1.121 54.193 53.050 0.037 0.000 0.893 100 N CB -0.225 38.317 38.487 0.093 0.000 0.967 100 N HN 0.506 nan 8.380 nan 0.000 0.440 101 G N 0.855 109.704 108.800 0.081 0.000 2.744 101 G HA2 0.114 4.074 3.960 -0.000 0.000 0.211 101 G HA3 0.114 4.074 3.960 -0.000 0.000 0.211 101 G C 0.517 175.500 174.900 0.139 0.000 1.143 101 G CA -0.087 45.086 45.100 0.123 0.000 0.788 101 G HN 0.160 nan 8.290 nan 0.000 0.534 102 V N 0.788 120.732 119.914 0.051 0.000 2.686 102 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 102 V C 0.324 176.387 176.094 -0.050 0.000 1.057 102 V CA -0.789 61.516 62.300 0.009 0.000 1.012 102 V CB 1.697 33.481 31.823 -0.065 0.000 1.006 102 V HN 0.173 nan 8.190 nan 0.000 0.477 103 V N 2.997 122.836 119.914 -0.126 0.000 2.417 103 V HA 0.673 4.793 4.120 -0.000 0.000 0.291 103 V C -0.547 175.445 176.094 -0.171 0.000 1.024 103 V CA -0.543 61.619 62.300 -0.230 0.000 0.861 103 V CB 1.228 32.747 31.823 -0.506 0.000 0.985 103 V HN 0.633 nan 8.190 nan 0.000 0.436 104 I N 4.899 125.370 120.570 -0.164 0.000 2.404 104 I HA 0.433 4.603 4.170 -0.000 0.000 0.293 104 I C -0.157 175.877 176.117 -0.138 0.000 0.992 104 I CA -0.481 60.727 61.300 -0.153 0.000 1.149 104 I CB 1.639 39.532 38.000 -0.178 0.000 1.315 104 I HN 0.807 nan 8.210 nan 0.000 0.446 105 H N 7.433 126.384 119.070 -0.199 0.000 2.572 105 H HA 0.312 4.868 4.556 -0.000 0.000 0.248 105 H C 0.796 175.991 175.328 -0.222 0.000 1.397 105 H CA -0.432 55.512 56.048 -0.173 0.000 1.319 105 H CB 0.769 30.463 29.762 -0.114 0.000 1.452 105 H HN 0.725 nan 8.280 nan 0.000 0.535 106 L N 3.874 124.773 121.223 -0.539 0.000 2.077 106 L HA -0.286 4.054 4.340 -0.000 0.000 0.231 106 L C -0.650 175.753 176.870 -0.779 0.000 1.100 106 L CA 2.042 56.421 54.840 -0.768 0.000 0.819 106 L CB -1.744 39.660 42.059 -1.090 0.000 0.913 106 L HN 0.487 nan 8.230 nan 0.000 0.446 107 P HA -0.217 nan 4.420 nan 0.000 0.216 107 P C 1.541 178.804 177.300 -0.063 0.000 1.167 107 P CA 2.158 65.131 63.100 -0.213 0.000 0.914 107 P CB -0.323 31.277 31.700 -0.168 0.000 0.793 108 G N -0.345 108.422 108.800 -0.055 0.000 2.469 108 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 108 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 108 G C 1.480 176.332 174.900 -0.080 0.000 1.150 108 G CA 0.893 46.024 45.100 0.052 0.000 0.763 108 G HN 0.233 nan 8.290 nan 0.000 0.561 109 L N -0.077 121.015 121.223 -0.218 0.000 1.971 109 L HA -0.011 4.329 4.340 -0.000 0.000 0.215 109 L C 2.606 179.261 176.870 -0.359 0.000 1.072 109 L CA 1.863 56.486 54.840 -0.361 0.000 0.758 109 L CB -0.840 40.855 42.059 -0.606 0.000 0.889 109 L HN 0.258 nan 8.230 nan 0.000 0.433 110 F N -0.135 119.786 119.950 -0.048 0.000 2.186 110 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 110 F C 2.605 178.400 175.800 -0.007 0.000 1.090 110 F CA 1.392 59.413 58.000 0.035 0.000 1.307 110 F CB -0.473 38.632 39.000 0.176 0.000 1.019 110 F HN 0.270 nan 8.300 nan 0.000 0.489 111 E N 0.777 121.070 120.200 0.154 0.000 2.085 111 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 111 E C 2.144 178.735 176.600 -0.016 0.000 0.994 111 E CA 1.555 58.001 56.400 0.077 0.000 0.801 111 E CB -0.135 29.601 29.700 0.060 0.000 0.743 111 E HN 0.570 nan 8.360 nan 0.000 0.453 112 E N -0.166 119.987 120.200 -0.079 0.000 2.028 112 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 112 E C 2.006 178.501 176.600 -0.175 0.000 0.988 112 E CA 0.960 57.285 56.400 -0.126 0.000 0.799 112 E CB -0.183 29.445 29.700 -0.120 0.000 0.755 112 E HN 0.305 nan 8.360 nan 0.000 0.447 113 A N 1.093 123.714 122.820 -0.332 0.000 1.940 113 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 113 A C 1.894 179.249 177.584 -0.381 0.000 1.176 113 A CA 1.785 53.411 52.037 -0.684 0.000 0.631 113 A CB -0.532 17.561 19.000 -1.512 0.000 0.814 113 A HN 0.365 nan 8.150 nan 0.000 0.446 114 E N -0.710 119.421 120.200 -0.115 0.000 2.152 114 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 114 E C 2.034 178.635 176.600 0.003 0.000 0.983 114 E CA 1.090 57.501 56.400 0.020 0.000 0.818 114 E CB -0.083 29.673 29.700 0.093 0.000 0.758 114 E HN 0.678 nan 8.360 nan 0.000 0.467 115 K N 0.852 121.234 120.400 -0.029 0.000 2.148 115 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 115 K C 1.614 178.209 176.600 -0.009 0.000 1.050 115 K CA 0.984 57.259 56.287 -0.020 0.000 0.942 115 K CB 0.178 32.651 32.500 -0.044 0.000 0.724 115 K HN 0.018 nan 8.250 nan 0.000 0.446 116 N N 0.741 119.427 118.700 -0.025 0.000 2.415 116 N HA -0.102 4.638 4.740 -0.000 0.000 0.176 116 N C 1.267 176.811 175.510 0.057 0.000 1.042 116 N CA 0.572 53.643 53.050 0.036 0.000 0.902 116 N CB 0.255 38.773 38.487 0.052 0.000 0.986 116 N HN 0.349 nan 8.380 nan 0.000 0.447 117 E N 1.284 121.492 120.200 0.014 0.000 2.204 117 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 117 E C 1.154 177.817 176.600 0.105 0.000 0.990 117 E CA 0.925 57.380 56.400 0.092 0.000 0.821 117 E CB 0.247 30.030 29.700 0.138 0.000 0.750 117 E HN 0.282 nan 8.360 nan 0.000 0.477 118 K N -0.138 120.307 120.400 0.075 0.000 2.361 118 K HA 0.030 4.350 4.320 -0.000 0.000 0.196 118 K C 1.403 178.045 176.600 0.070 0.000 1.039 118 K CA 0.423 56.750 56.287 0.067 0.000 1.001 118 K CB 0.275 32.802 32.500 0.045 0.000 0.795 118 K HN -0.073 nan 8.250 nan 0.000 0.495 119 K N 0.250 120.705 120.400 0.091 0.000 2.458 119 K HA 0.061 4.381 4.320 -0.000 0.000 0.194 119 K C 0.288 176.980 176.600 0.154 0.000 1.024 119 K CA 0.406 56.758 56.287 0.107 0.000 1.108 119 K CB 0.723 33.306 32.500 0.137 0.000 0.846 119 K HN 0.304 nan 8.250 nan 0.000 0.518 120 G N 1.827 110.711 108.800 0.140 0.000 2.226 120 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.176 120 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.176 120 G C -0.774 174.221 174.900 0.160 0.000 1.042 120 G CA -0.635 44.550 45.100 0.141 0.000 0.732 120 G HN 0.167 nan 8.290 nan 0.000 0.494 121 L N 1.072 122.394 121.223 0.165 0.000 2.294 121 L HA 0.879 5.219 4.340 -0.000 0.000 0.283 121 L C -0.139 176.891 176.870 0.267 0.000 1.015 121 L CA -1.004 53.944 54.840 0.180 0.000 0.831 121 L CB 0.981 43.117 42.059 0.128 0.000 1.217 121 L HN 0.377 nan 8.230 nan 0.000 0.420 122 K N 1.322 121.875 120.400 0.255 0.000 2.443 122 K HA 0.749 5.069 4.320 -0.000 0.000 0.251 122 K C -0.199 176.516 176.600 0.192 0.000 0.972 122 K CA -0.513 55.924 56.287 0.250 0.000 0.833 122 K CB 1.295 33.882 32.500 0.144 0.000 1.317 122 K HN 0.338 nan 8.250 nan 0.000 0.441 123 D N -0.506 119.935 120.400 0.068 0.000 3.046 123 D HA -0.175 4.465 4.640 -0.000 0.000 0.210 123 D C 0.586 176.846 176.300 -0.067 0.000 1.124 123 D CA 1.626 55.597 54.000 -0.048 0.000 0.986 123 D CB -0.822 39.981 40.800 0.006 0.000 1.118 123 D HN 0.792 nan 8.370 nan 0.000 0.416 124 W N 1.757 123.072 121.300 0.026 0.000 2.338 124 W HA -0.185 4.475 4.660 -0.000 0.000 0.304 124 W C 1.661 178.187 176.519 0.011 0.000 1.212 124 W CA 1.464 58.814 57.345 0.009 0.000 1.264 124 W CB -1.042 28.425 29.460 0.011 0.000 1.142 124 W HN 0.218 nan 8.180 nan 0.000 0.512 125 E N 1.769 121.367 120.200 -1.003 0.000 2.463 125 E HA -0.185 4.165 4.350 -0.000 0.000 0.201 125 E C 1.375 177.769 176.600 -0.343 0.000 1.045 125 E CA 1.187 57.061 56.400 -0.875 0.000 0.872 125 E CB -0.611 28.383 29.700 -1.177 0.000 0.797 125 E HN 0.440 nan 8.360 nan 0.000 0.538 126 K N 0.508 120.774 120.400 -0.223 0.000 2.354 126 K HA 0.115 4.435 4.320 -0.000 0.000 0.194 126 K C 1.500 178.078 176.600 -0.038 0.000 1.045 126 K CA 0.327 56.549 56.287 -0.108 0.000 1.026 126 K CB 0.412 32.860 32.500 -0.088 0.000 0.866 126 K HN 0.129 nan 8.250 nan 0.000 0.530 127 R N 0.800 121.294 120.500 -0.010 0.000 2.696 127 R HA 0.271 4.611 4.340 -0.000 0.000 0.355 127 R C -0.476 175.854 176.300 0.049 0.000 1.138 127 R CA -0.327 55.791 56.100 0.030 0.000 1.059 127 R CB 0.015 30.338 30.300 0.039 0.000 1.380 127 R HN -0.106 nan 8.270 nan 0.000 0.578 128 L N 0.986 122.232 121.223 0.038 0.000 2.354 128 L HA 0.631 4.971 4.340 -0.000 0.000 0.269 128 L C -1.294 175.585 176.870 0.016 0.000 1.005 128 L CA -1.191 53.678 54.840 0.049 0.000 0.819 128 L CB 1.942 44.062 42.059 0.102 0.000 1.311 128 L HN 0.184 nan 8.230 nan 0.000 0.423 129 I N 5.369 125.940 120.570 0.003 0.000 2.548 129 I HA 0.409 4.579 4.170 -0.000 0.000 0.287 129 I C -0.908 175.155 176.117 -0.091 0.000 1.103 129 I CA -0.350 60.933 61.300 -0.027 0.000 1.049 129 I CB 1.972 39.914 38.000 -0.097 0.000 1.232 129 I HN 0.463 nan 8.210 nan 0.000 0.429 130 I N 3.837 124.342 120.570 -0.107 0.000 2.392 130 I HA 0.250 4.420 4.170 -0.000 0.000 0.295 130 I C 0.520 176.550 176.117 -0.145 0.000 0.985 130 I CA -0.443 60.743 61.300 -0.190 0.000 1.221 130 I CB 1.968 39.891 38.000 -0.128 0.000 1.366 130 I HN 0.488 nan 8.210 nan 0.000 0.467 131 S N 3.452 119.007 115.700 -0.242 0.000 2.474 131 S HA 0.029 4.499 4.470 -0.000 0.000 0.276 131 S C 0.964 175.542 174.600 -0.036 0.000 1.227 131 S CA -0.797 57.355 58.200 -0.080 0.000 1.050 131 S CB 0.320 63.450 63.200 -0.118 0.000 0.939 131 S HN 0.677 nan 8.310 nan 0.000 0.490 132 D N 4.675 125.088 120.400 0.021 0.000 2.389 132 D HA -0.146 4.494 4.640 -0.000 0.000 0.221 132 D C 1.242 177.541 176.300 -0.002 0.000 0.974 132 D CA 0.987 54.995 54.000 0.013 0.000 0.923 132 D CB -0.046 40.778 40.800 0.041 0.000 0.892 132 D HN 0.545 nan 8.370 nan 0.000 0.518 133 R N -0.285 120.218 120.500 0.006 0.000 2.334 133 R HA 0.400 4.740 4.340 -0.000 0.000 0.212 133 R C 0.711 176.990 176.300 -0.035 0.000 0.897 133 R CA 0.158 56.255 56.100 -0.004 0.000 1.056 133 R CB 0.484 30.814 30.300 0.050 0.000 1.046 133 R HN 0.138 nan 8.270 nan 0.000 0.513 134 A N 1.146 123.938 122.820 -0.045 0.000 2.425 134 A HA 0.096 4.416 4.320 -0.000 0.000 0.242 134 A C -0.320 177.208 177.584 -0.093 0.000 1.077 134 A CA 0.018 52.036 52.037 -0.031 0.000 0.781 134 A CB 0.194 19.144 19.000 -0.083 0.000 1.020 134 A HN 0.206 nan 8.150 nan 0.000 0.494 135 H N 0.087 119.096 119.070 -0.101 0.000 2.488 135 H HA 0.413 4.969 4.556 -0.000 0.000 0.347 135 H C -0.642 174.560 175.328 -0.210 0.000 1.174 135 H CA -0.191 55.777 56.048 -0.134 0.000 1.307 135 H CB 1.104 30.766 29.762 -0.166 0.000 1.517 135 H HN 0.475 nan 8.280 nan 0.000 0.554 136 L N 2.317 123.431 121.223 -0.180 0.000 2.295 136 L HA 0.229 4.569 4.340 -0.000 0.000 0.285 136 L C -0.161 176.375 176.870 -0.556 0.000 1.035 136 L CA -0.877 53.724 54.840 -0.398 0.000 0.806 136 L CB 1.605 43.347 42.059 -0.528 0.000 1.214 136 L HN 0.193 nan 8.230 nan 0.000 0.426 137 V N 3.808 123.512 119.914 -0.349 0.000 2.385 137 V HA 0.256 4.376 4.120 -0.000 0.000 0.269 137 V C -0.033 176.017 176.094 -0.073 0.000 1.043 137 V CA -0.233 61.967 62.300 -0.166 0.000 0.906 137 V CB 0.499 32.278 31.823 -0.073 0.000 0.995 137 V HN 0.326 nan 8.190 nan 0.000 0.467 138 F N 2.420 122.409 119.950 0.066 0.000 2.377 138 F HA 0.379 4.906 4.527 -0.000 0.000 0.328 138 F C 1.461 177.119 175.800 -0.236 0.000 1.094 138 F CA -1.110 56.770 58.000 -0.200 0.000 1.093 138 F CB 0.716 39.285 39.000 -0.717 0.000 1.214 138 F HN 0.455 nan 8.300 nan 0.000 0.518 139 D N 1.263 121.832 120.400 0.282 0.000 2.157 139 D HA -0.298 4.342 4.640 -0.000 0.000 0.191 139 D C 1.990 178.335 176.300 0.075 0.000 1.004 139 D CA 2.217 56.358 54.000 0.235 0.000 0.854 139 D CB -0.557 40.438 40.800 0.325 0.000 0.936 139 D HN 0.553 nan 8.370 nan 0.000 0.446 140 F N -0.803 119.196 119.950 0.082 0.000 2.451 140 F HA 0.023 4.550 4.527 -0.000 0.000 0.299 140 F C 2.093 177.881 175.800 -0.020 0.000 1.101 140 F CA 0.943 58.928 58.000 -0.026 0.000 1.436 140 F CB -1.106 37.803 39.000 -0.151 0.000 1.074 140 F HN 0.133 nan 8.300 nan 0.000 0.553 141 H N 0.274 119.088 119.070 -0.427 0.000 2.326 141 H HA -0.092 4.464 4.556 -0.000 0.000 0.301 141 H C 2.082 177.357 175.328 -0.088 0.000 1.081 141 H CA 1.553 57.449 56.048 -0.253 0.000 1.334 141 H CB -0.067 29.479 29.762 -0.360 0.000 1.385 141 H HN 0.378 nan 8.280 nan 0.000 0.504 142 Q N 0.089 119.885 119.800 -0.007 0.000 2.224 142 Q HA -0.102 4.238 4.340 -0.000 0.000 0.203 142 Q C 2.450 178.449 176.000 -0.001 0.000 0.970 142 Q CA 0.714 56.480 55.803 -0.061 0.000 0.865 142 Q CB 0.091 28.715 28.738 -0.190 0.000 0.922 142 Q HN 0.449 nan 8.270 nan 0.000 0.445 143 A N 0.601 123.450 122.820 0.049 0.000 1.828 143 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 143 A C 2.323 179.935 177.584 0.047 0.000 1.203 143 A CA 1.470 53.544 52.037 0.063 0.000 0.614 143 A CB -0.988 18.087 19.000 0.125 0.000 0.844 143 A HN 0.197 nan 8.150 nan 0.000 0.445 144 V N 1.125 121.125 119.914 0.144 0.000 2.370 144 V HA -0.313 3.807 4.120 -0.000 0.000 0.252 144 V C 2.422 178.551 176.094 0.058 0.000 1.068 144 V CA 2.460 64.856 62.300 0.160 0.000 1.061 144 V CB -0.922 31.184 31.823 0.472 0.000 0.656 144 V HN 0.660 nan 8.190 nan 0.000 0.455 145 D N 0.541 120.985 120.400 0.073 0.000 2.103 145 D HA -0.162 4.478 4.640 -0.000 0.000 0.190 145 D C 2.226 178.511 176.300 -0.024 0.000 0.997 145 D CA 1.967 55.987 54.000 0.035 0.000 0.833 145 D CB -0.527 40.282 40.800 0.016 0.000 0.961 145 D HN 0.406 nan 8.370 nan 0.000 0.447 146 G N 0.667 109.441 108.800 -0.044 0.000 2.491 146 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 146 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 146 G C 1.801 176.616 174.900 -0.141 0.000 1.180 146 G CA 1.164 46.223 45.100 -0.069 0.000 0.774 146 G HN 0.285 nan 8.290 nan 0.000 0.562 147 L N 0.524 121.590 121.223 -0.263 0.000 1.971 147 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 147 L C 3.083 179.677 176.870 -0.461 0.000 1.072 147 L CA 2.019 56.550 54.840 -0.515 0.000 0.758 147 L CB -1.166 40.245 42.059 -1.080 0.000 0.889 147 L HN 0.307 nan 8.230 nan 0.000 0.433 148 Q N -0.906 118.665 119.800 -0.382 0.000 2.096 148 Q HA -0.320 4.020 4.340 -0.000 0.000 0.208 148 Q C 2.254 178.259 176.000 0.009 0.000 0.993 148 Q CA 2.060 57.865 55.803 0.003 0.000 0.862 148 Q CB -0.244 28.581 28.738 0.145 0.000 0.915 148 Q HN 0.458 nan 8.270 nan 0.000 0.416 149 E N 0.112 120.297 120.200 -0.025 0.000 2.031 149 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 149 E C 1.884 178.480 176.600 -0.006 0.000 0.994 149 E CA 1.205 57.602 56.400 -0.004 0.000 0.800 149 E CB -0.032 29.664 29.700 -0.007 0.000 0.752 149 E HN 0.134 nan 8.360 nan 0.000 0.447 150 V N 0.925 120.818 119.914 -0.036 0.000 2.626 150 V HA -0.211 3.909 4.120 -0.000 0.000 0.252 150 V C 2.469 178.559 176.094 -0.007 0.000 1.067 150 V CA 1.870 64.155 62.300 -0.026 0.000 1.081 150 V CB -0.508 31.287 31.823 -0.047 0.000 0.686 150 V HN 0.334 nan 8.190 nan 0.000 0.468 151 Q N 0.167 119.964 119.800 -0.005 0.000 1.990 151 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 151 Q C 2.528 178.566 176.000 0.062 0.000 0.980 151 Q CA 1.553 57.389 55.803 0.055 0.000 0.832 151 Q CB -0.075 28.753 28.738 0.150 0.000 0.897 151 Q HN 0.519 nan 8.270 nan 0.000 0.427 152 R N 0.152 120.690 120.500 0.063 0.000 2.249 152 R HA -0.191 4.149 4.340 -0.000 0.000 0.230 152 R C 2.213 178.541 176.300 0.047 0.000 1.121 152 R CA 1.169 57.302 56.100 0.055 0.000 0.997 152 R CB -0.065 30.264 30.300 0.048 0.000 0.867 152 R HN 0.245 nan 8.270 nan 0.000 0.465 153 Q N 0.889 120.712 119.800 0.038 0.000 1.969 153 Q HA -0.023 4.317 4.340 -0.000 0.000 0.198 153 Q C 1.396 177.413 176.000 0.029 0.000 0.978 153 Q CA 1.989 57.810 55.803 0.031 0.000 0.830 153 Q CB -0.250 28.500 28.738 0.020 0.000 0.896 153 Q HN 0.254 nan 8.270 nan 0.000 0.431 154 A N 0.073 122.909 122.820 0.027 0.000 2.310 154 A HA 0.072 4.392 4.320 -0.000 0.000 0.230 154 A C 1.429 179.031 177.584 0.030 0.000 1.294 154 A CA 0.523 52.575 52.037 0.025 0.000 0.898 154 A CB -0.310 18.703 19.000 0.022 0.000 0.917 154 A HN 0.544 nan 8.150 nan 0.000 0.491 155 Q N -1.590 118.231 119.800 0.035 0.000 2.577 155 Q HA 0.075 4.415 4.340 -0.000 0.000 0.242 155 Q C 0.735 176.755 176.000 0.033 0.000 0.818 155 Q CA 0.461 56.285 55.803 0.036 0.000 0.962 155 Q CB 0.530 29.294 28.738 0.043 0.000 1.272 155 Q HN 0.470 nan 8.270 nan 0.000 0.593 156 E N -0.538 119.685 120.200 0.038 0.000 2.526 156 E HA 0.237 4.587 4.350 -0.000 0.000 0.208 156 E C -0.016 176.607 176.600 0.038 0.000 0.997 156 E CA 0.506 56.929 56.400 0.039 0.000 0.961 156 E CB 1.500 31.229 29.700 0.048 0.000 1.030 156 E HN 0.488 nan 8.360 nan 0.000 0.483 157 G N 2.208 111.029 108.800 0.034 0.000 2.366 157 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.299 157 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.299 157 G C -0.035 174.886 174.900 0.035 0.000 1.020 157 G CA 1.202 46.319 45.100 0.029 0.000 1.026 157 G HN 0.168 nan 8.290 nan 0.000 0.512 158 K N -0.352 120.079 120.400 0.052 0.000 2.577 158 K HA 0.273 4.593 4.320 -0.000 0.000 0.267 158 K C -0.576 176.091 176.600 0.112 0.000 0.979 158 K CA -0.321 56.011 56.287 0.077 0.000 0.942 158 K CB 0.541 33.094 32.500 0.089 0.000 1.343 158 K HN 0.415 nan 8.250 nan 0.000 0.436 159 N N 3.796 122.571 118.700 0.125 0.000 2.890 159 N HA 0.389 5.129 4.740 -0.000 0.000 0.317 159 N C 0.873 176.513 175.510 0.216 0.000 1.355 159 N CA -0.885 52.239 53.050 0.124 0.000 0.803 159 N CB 0.315 38.842 38.487 0.068 0.000 1.465 159 N HN 0.296 nan 8.380 nan 0.000 0.591 160 I N -0.883 119.760 120.570 0.121 0.000 2.202 160 I HA 0.031 4.201 4.170 -0.000 0.000 0.242 160 I C 1.292 177.521 176.117 0.187 0.000 1.091 160 I CA 2.093 63.474 61.300 0.135 0.000 1.368 160 I CB -1.698 36.299 38.000 -0.005 0.000 1.058 160 I HN 0.958 nan 8.210 nan 0.000 0.410 161 G N 0.944 109.804 108.800 0.101 0.000 2.135 161 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.183 161 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.183 161 G C 0.433 175.365 174.900 0.054 0.000 1.004 161 G CA 0.262 45.404 45.100 0.070 0.000 0.677 161 G HN 0.315 nan 8.290 nan 0.000 0.512 162 T N 0.835 115.417 114.554 0.046 0.000 2.785 162 T HA 0.307 4.657 4.350 -0.000 0.000 0.341 162 T C 1.960 176.679 174.700 0.032 0.000 1.093 162 T CA 1.281 63.402 62.100 0.036 0.000 1.103 162 T CB 0.682 69.564 68.868 0.024 0.000 1.011 162 T HN 0.989 nan 8.240 nan 0.000 0.549 163 T N -1.659 112.914 114.554 0.031 0.000 3.144 163 T HA 0.176 4.526 4.350 -0.000 0.000 0.249 163 T C 0.534 175.243 174.700 0.014 0.000 1.089 163 T CA -0.471 61.648 62.100 0.031 0.000 0.989 163 T CB -0.414 68.478 68.868 0.041 0.000 0.992 163 T HN 0.710 nan 8.240 nan 0.000 0.540 164 K N 0.947 121.351 120.400 0.006 0.000 3.148 164 K HA -0.174 4.146 4.320 -0.000 0.000 0.267 164 K C 0.058 176.639 176.600 -0.033 0.000 0.996 164 K CA 0.617 56.898 56.287 -0.010 0.000 0.737 164 K CB -1.192 31.303 32.500 -0.010 0.000 1.308 164 K HN 0.481 nan 8.250 nan 0.000 0.470 165 K N -0.149 120.227 120.400 -0.039 0.000 2.618 165 K HA 0.116 4.436 4.320 -0.000 0.000 0.207 165 K C 1.070 177.602 176.600 -0.114 0.000 1.058 165 K CA 0.387 56.623 56.287 -0.086 0.000 1.086 165 K CB 1.026 33.491 32.500 -0.058 0.000 0.827 165 K HN 0.486 nan 8.250 nan 0.000 0.481 166 G N 1.704 110.458 108.800 -0.078 0.000 2.186 166 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.266 166 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.266 166 G C 0.958 175.780 174.900 -0.130 0.000 0.982 166 G CA 0.371 45.423 45.100 -0.080 0.000 0.670 166 G HN 0.287 nan 8.290 nan 0.000 0.533 167 I N 1.161 121.681 120.570 -0.083 0.000 2.163 167 I HA -0.124 4.046 4.170 -0.000 0.000 0.243 167 I C 3.010 179.134 176.117 0.011 0.000 1.085 167 I CA 2.128 63.390 61.300 -0.063 0.000 1.347 167 I CB -1.734 36.297 38.000 0.052 0.000 1.044 167 I HN 0.265 nan 8.210 nan 0.000 0.408 168 G N 1.874 110.704 108.800 0.050 0.000 2.459 168 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 168 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 168 G C -0.499 174.428 174.900 0.044 0.000 1.183 168 G CA 0.691 45.839 45.100 0.080 0.000 0.776 168 G HN 0.319 nan 8.290 nan 0.000 0.552 169 P HA 0.040 nan 4.420 nan 0.000 0.219 169 P C 2.002 179.154 177.300 -0.246 0.000 1.150 169 P CA 1.320 64.435 63.100 0.026 0.000 0.814 169 P CB -0.029 31.787 31.700 0.192 0.000 0.787 170 T N -1.471 112.745 114.554 -0.564 0.000 2.708 170 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 170 T C 1.418 175.862 174.700 -0.427 0.000 1.037 170 T CA 1.405 63.022 62.100 -0.805 0.000 1.146 170 T CB -1.013 67.428 68.868 -0.710 0.000 0.865 170 T HN 0.050 nan 8.240 nan 0.000 0.435 171 Y N 1.866 122.040 120.300 -0.209 0.000 2.293 171 Y HA -0.082 4.468 4.550 -0.000 0.000 0.291 171 Y C 2.949 178.782 175.900 -0.110 0.000 1.137 171 Y CA 0.604 58.607 58.100 -0.162 0.000 1.202 171 Y CB -0.653 37.740 38.460 -0.112 0.000 0.990 171 Y HN 0.169 nan 8.280 nan 0.000 0.537 172 S N -0.939 114.807 115.700 0.077 0.000 2.368 172 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 172 S C 2.244 176.883 174.600 0.066 0.000 1.030 172 S CA 1.381 59.621 58.200 0.067 0.000 0.999 172 S CB -0.467 62.775 63.200 0.069 0.000 0.844 172 S HN 0.376 nan 8.310 nan 0.000 0.459 173 S N 1.470 117.219 115.700 0.082 0.000 2.368 173 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 173 S C 1.867 176.522 174.600 0.092 0.000 1.030 173 S CA 1.214 59.510 58.200 0.161 0.000 0.999 173 S CB -0.254 63.133 63.200 0.311 0.000 0.844 173 S HN 0.538 nan 8.310 nan 0.000 0.459 174 K N 1.544 121.923 120.400 -0.034 0.000 2.009 174 K HA -0.139 4.181 4.320 -0.000 0.000 0.210 174 K C 2.220 178.807 176.600 -0.023 0.000 1.049 174 K CA 1.396 57.584 56.287 -0.164 0.000 0.929 174 K CB -0.418 31.782 32.500 -0.500 0.000 0.714 174 K HN 0.289 nan 8.250 nan 0.000 0.440 175 A N 0.877 123.699 122.820 0.004 0.000 1.908 175 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 175 A C 2.269 179.876 177.584 0.038 0.000 1.181 175 A CA 1.917 53.968 52.037 0.023 0.000 0.627 175 A CB -0.785 18.227 19.000 0.021 0.000 0.818 175 A HN 0.516 nan 8.150 nan 0.000 0.445 176 A N -1.583 121.267 122.820 0.051 0.000 2.168 176 A HA 0.176 4.496 4.320 -0.000 0.000 0.215 176 A C 1.258 178.885 177.584 0.072 0.000 1.152 176 A CA 1.126 53.196 52.037 0.055 0.000 0.716 176 A CB -0.253 18.782 19.000 0.059 0.000 0.794 176 A HN 0.558 nan 8.150 nan 0.000 0.465 177 R N -2.269 118.287 120.500 0.094 0.000 3.878 177 R HA -0.147 4.193 4.340 -0.000 0.000 0.330 177 R C 0.987 177.367 176.300 0.133 0.000 1.186 177 R CA 1.422 57.594 56.100 0.121 0.000 0.885 177 R CB -3.105 27.250 30.300 0.091 0.000 1.377 177 R HN 0.727 nan 8.270 nan 0.000 0.523 178 T N -4.191 110.451 114.554 0.147 0.000 3.022 178 T HA 0.268 4.618 4.350 -0.000 0.000 0.250 178 T C 1.189 176.020 174.700 0.218 0.000 1.060 178 T CA 0.241 62.434 62.100 0.155 0.000 1.013 178 T CB 0.523 69.477 68.868 0.142 0.000 0.982 178 T HN 0.421 nan 8.240 nan 0.000 0.508 179 G N 1.219 110.180 108.800 0.269 0.000 2.599 179 G HA2 0.583 4.543 3.960 -0.000 0.000 0.264 179 G HA3 0.583 4.543 3.960 -0.000 0.000 0.264 179 G C -0.675 174.412 174.900 0.311 0.000 1.200 179 G CA -0.773 44.534 45.100 0.345 0.000 0.896 179 G HN 0.466 nan 8.290 nan 0.000 0.536 180 L N -0.094 121.322 121.223 0.322 0.000 2.330 180 L HA 0.613 4.953 4.340 -0.000 0.000 0.271 180 L C 0.463 177.370 176.870 0.061 0.000 1.013 180 L CA -0.935 54.065 54.840 0.266 0.000 0.816 180 L CB 1.917 44.291 42.059 0.525 0.000 1.287 180 L HN 0.500 nan 8.230 nan 0.000 0.435 181 R N 1.022 121.518 120.500 -0.007 0.000 2.828 181 R HA 0.446 4.786 4.340 -0.000 0.000 0.264 181 R C 0.740 177.036 176.300 -0.007 0.000 1.022 181 R CA -1.073 54.932 56.100 -0.159 0.000 1.021 181 R CB 1.522 31.660 30.300 -0.270 0.000 1.163 181 R HN 0.449 nan 8.270 nan 0.000 0.494 182 I N 1.203 121.742 120.570 -0.051 0.000 2.194 182 I HA -0.316 3.854 4.170 -0.000 0.000 0.246 182 I C 2.555 178.674 176.117 0.003 0.000 1.093 182 I CA 1.725 63.012 61.300 -0.020 0.000 1.355 182 I CB -1.038 36.936 38.000 -0.043 0.000 1.046 182 I HN 0.804 nan 8.210 nan 0.000 0.413 183 C N -0.152 119.151 119.300 0.005 0.000 2.437 183 C HA -0.045 4.415 4.460 -0.000 0.000 0.283 183 C C 2.028 177.049 174.990 0.051 0.000 1.424 183 C CA 0.147 59.179 59.018 0.024 0.000 1.782 183 C CB -1.065 26.689 27.740 0.023 0.000 1.833 183 C HN 0.416 nan 8.230 nan 0.000 0.532 184 D N 0.914 121.367 120.400 0.088 0.000 2.213 184 D HA 0.004 4.644 4.640 -0.000 0.000 0.205 184 D C 2.155 178.529 176.300 0.123 0.000 0.961 184 D CA 0.603 54.705 54.000 0.171 0.000 0.853 184 D CB -0.421 40.554 40.800 0.293 0.000 0.967 184 D HN 0.518 nan 8.370 nan 0.000 0.496 185 L N 0.240 121.449 121.223 -0.024 0.000 2.093 185 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 185 L C 1.721 178.503 176.870 -0.146 0.000 1.085 185 L CA 0.733 55.356 54.840 -0.363 0.000 0.755 185 L CB 0.101 42.018 42.059 -0.237 0.000 0.904 185 L HN -0.004 nan 8.230 nan 0.000 0.435 186 L N -0.975 120.225 121.223 -0.038 0.000 2.240 186 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 186 L C 1.960 178.845 176.870 0.026 0.000 1.106 186 L CA 0.847 55.686 54.840 -0.002 0.000 0.793 186 L CB -0.774 41.290 42.059 0.009 0.000 0.927 186 L HN 0.107 nan 8.230 nan 0.000 0.446 187 S N -0.786 114.940 115.700 0.044 0.000 2.423 187 S HA -0.059 4.411 4.470 -0.000 0.000 0.244 187 S C 0.009 174.665 174.600 0.093 0.000 1.267 187 S CA -0.475 57.764 58.200 0.065 0.000 0.988 187 S CB 0.073 63.318 63.200 0.075 0.000 0.978 187 S HN 0.347 nan 8.310 nan 0.000 0.506 188 D N 0.506 120.968 120.400 0.102 0.000 2.356 188 D HA 0.001 4.641 4.640 -0.000 0.000 0.272 188 D C 0.491 176.898 176.300 0.179 0.000 1.337 188 D CA 0.213 54.288 54.000 0.125 0.000 0.970 188 D CB -0.324 40.534 40.800 0.097 0.000 1.092 188 D HN 0.402 nan 8.370 nan 0.000 0.516 189 F N 2.851 122.832 119.950 0.052 0.000 2.529 189 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 189 F C 1.358 177.250 175.800 0.153 0.000 1.114 189 F CA 1.049 59.099 58.000 0.083 0.000 1.467 189 F CB 0.238 39.241 39.000 0.005 0.000 1.096 189 F HN 0.417 nan 8.300 nan 0.000 0.586 190 D N -0.418 120.067 120.400 0.141 0.000 2.201 190 D HA -0.106 4.534 4.640 -0.000 0.000 0.209 190 D C 2.098 178.414 176.300 0.027 0.000 0.961 190 D CA 0.934 54.977 54.000 0.072 0.000 0.861 190 D CB -0.153 40.701 40.800 0.090 0.000 0.997 190 D HN 0.328 nan 8.370 nan 0.000 0.486 191 E N 0.026 120.261 120.200 0.059 0.000 2.208 191 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 191 E C 1.715 178.343 176.600 0.046 0.000 0.988 191 E CA 0.412 56.843 56.400 0.050 0.000 0.828 191 E CB -0.332 29.410 29.700 0.070 0.000 0.763 191 E HN 0.171 nan 8.360 nan 0.000 0.478 192 F N 0.874 120.752 119.950 -0.120 0.000 2.000 192 F HA -0.170 4.357 4.527 -0.000 0.000 0.295 192 F C 2.340 178.017 175.800 -0.207 0.000 1.159 192 F CA 2.044 59.944 58.000 -0.167 0.000 1.171 192 F CB -0.952 37.863 39.000 -0.308 0.000 0.971 192 F HN -0.023 nan 8.300 nan 0.000 0.479 193 S N 0.877 116.366 115.700 -0.352 0.000 2.408 193 S HA -0.390 4.080 4.470 -0.000 0.000 0.241 193 S C 2.217 176.703 174.600 -0.190 0.000 1.080 193 S CA 1.687 59.676 58.200 -0.352 0.000 1.109 193 S CB -1.334 61.704 63.200 -0.271 0.000 0.966 193 S HN 0.649 nan 8.310 nan 0.000 0.449 194 A N 1.624 124.368 122.820 -0.127 0.000 1.865 194 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 194 A C 2.203 179.731 177.584 -0.094 0.000 1.191 194 A CA 1.770 53.765 52.037 -0.070 0.000 0.623 194 A CB -0.580 18.400 19.000 -0.034 0.000 0.826 194 A HN 0.486 nan 8.150 nan 0.000 0.444 195 R N -2.117 118.305 120.500 -0.131 0.000 2.081 195 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 195 R C 2.030 178.208 176.300 -0.203 0.000 1.131 195 R CA 1.524 57.548 56.100 -0.126 0.000 0.960 195 R CB -0.538 29.703 30.300 -0.098 0.000 0.856 195 R HN 0.584 nan 8.270 nan 0.000 0.436 196 F N 2.205 121.839 119.950 -0.527 0.000 2.202 196 F HA -0.226 4.301 4.527 -0.000 0.000 0.301 196 F C 2.276 177.823 175.800 -0.422 0.000 1.082 196 F CA 1.545 59.184 58.000 -0.602 0.000 1.313 196 F CB 0.012 38.449 39.000 -0.938 0.000 1.024 196 F HN -0.145 nan 8.300 nan 0.000 0.495 197 K N 0.184 120.431 120.400 -0.255 0.000 2.007 197 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 197 K C 1.944 178.295 176.600 -0.415 0.000 1.047 197 K CA 1.532 57.625 56.287 -0.322 0.000 0.937 197 K CB -0.219 32.235 32.500 -0.075 0.000 0.718 197 K HN 0.240 nan 8.250 nan 0.000 0.438 198 N N 1.324 119.930 118.700 -0.157 0.000 2.120 198 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 198 N C 1.850 177.279 175.510 -0.136 0.000 1.024 198 N CA 0.959 53.984 53.050 -0.043 0.000 0.852 198 N CB -0.307 38.174 38.487 -0.010 0.000 1.003 198 N HN 0.148 nan 8.380 nan 0.000 0.424 199 L N 1.405 122.500 121.223 -0.212 0.000 2.083 199 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 199 L C 2.233 178.860 176.870 -0.405 0.000 1.083 199 L CA 1.333 56.092 54.840 -0.135 0.000 0.752 199 L CB -0.792 41.259 42.059 -0.013 0.000 0.899 199 L HN 0.110 nan 8.230 nan 0.000 0.433 200 A N -1.379 120.895 122.820 -0.910 0.000 1.877 200 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 200 A C 2.170 179.342 177.584 -0.687 0.000 1.186 200 A CA 1.743 52.980 52.037 -1.332 0.000 0.620 200 A CB -0.933 17.279 19.000 -1.313 0.000 0.822 200 A HN 0.644 nan 8.150 nan 0.000 0.443 201 H N -0.238 118.628 119.070 -0.340 0.000 2.423 201 H HA -0.086 4.470 4.556 -0.000 0.000 0.297 201 H C 2.183 177.430 175.328 -0.134 0.000 1.075 201 H CA 1.621 57.553 56.048 -0.193 0.000 1.342 201 H CB -0.298 29.378 29.762 -0.144 0.000 1.395 201 H HN 0.680 nan 8.280 nan 0.000 0.530 202 Q N -0.121 119.671 119.800 -0.013 0.000 2.046 202 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 202 Q C 2.137 178.112 176.000 -0.041 0.000 0.975 202 Q CA 1.179 56.972 55.803 -0.017 0.000 0.836 202 Q CB -0.107 28.630 28.738 -0.001 0.000 0.896 202 Q HN 0.586 nan 8.270 nan 0.000 0.428 203 H N 0.561 119.565 119.070 -0.111 0.000 2.387 203 H HA -0.071 4.485 4.556 -0.000 0.000 0.299 203 H C 1.741 177.064 175.328 -0.009 0.000 1.090 203 H CA 1.223 57.256 56.048 -0.025 0.000 1.332 203 H CB 0.107 29.864 29.762 -0.008 0.000 1.386 203 H HN 0.245 nan 8.280 nan 0.000 0.516 204 Q N -0.461 119.365 119.800 0.043 0.000 2.437 204 Q HA -0.037 4.303 4.340 -0.000 0.000 0.210 204 Q C 1.637 177.653 176.000 0.026 0.000 0.972 204 Q CA 0.937 56.770 55.803 0.049 0.000 0.903 204 Q CB 0.312 29.059 28.738 0.016 0.000 0.967 204 Q HN 0.348 nan 8.270 nan 0.000 0.486 205 S N -0.269 115.419 115.700 -0.020 0.000 2.478 205 S HA 0.081 4.551 4.470 -0.000 0.000 0.222 205 S C 1.658 176.177 174.600 -0.135 0.000 1.008 205 S CA 0.306 58.471 58.200 -0.060 0.000 0.928 205 S CB 0.204 63.366 63.200 -0.064 0.000 0.781 205 S HN 0.314 nan 8.310 nan 0.000 0.518 206 M N 0.236 119.717 119.600 -0.197 0.000 2.288 206 M HA 0.221 4.701 4.480 -0.000 0.000 0.266 206 M C -0.579 175.239 176.300 -0.803 0.000 1.072 206 M CA 1.136 56.145 55.300 -0.485 0.000 1.132 206 M CB -0.444 31.866 32.600 -0.482 0.000 1.386 206 M HN 0.192 nan 8.290 nan 0.000 0.432 207 F N 0.238 120.201 119.950 0.023 0.000 3.094 207 F HA 0.312 4.839 4.527 0.000 0.000 0.385 207 F C -1.746 174.069 175.800 0.025 0.000 1.231 207 F CA -2.120 55.898 58.000 0.030 0.000 1.207 207 F CB 0.446 39.476 39.000 0.050 0.000 1.703 207 F HN -0.075 nan 8.300 nan 0.000 0.610 208 P HA -0.184 nan 4.420 nan 0.000 0.226 208 P C 1.636 178.995 177.300 0.097 0.000 1.146 208 P CA 1.423 64.575 63.100 0.087 0.000 0.773 208 P CB 0.161 31.888 31.700 0.046 0.000 0.772 209 T N -1.793 112.840 114.554 0.132 0.000 3.035 209 T HA -0.047 4.303 4.350 -0.000 0.000 0.268 209 T C 0.765 175.517 174.700 0.086 0.000 1.109 209 T CA -0.179 61.979 62.100 0.097 0.000 1.119 209 T CB -0.742 68.183 68.868 0.094 0.000 0.900 209 T HN -0.112 nan 8.240 nan 0.000 0.503 210 L N 3.742 125.038 121.223 0.121 0.000 2.410 210 L HA 0.324 4.664 4.340 -0.000 0.000 0.273 210 L C 0.153 177.064 176.870 0.068 0.000 1.144 210 L CA -0.237 54.663 54.840 0.100 0.000 0.863 210 L CB 0.568 42.720 42.059 0.155 0.000 1.140 210 L HN 0.378 nan 8.230 nan 0.000 0.463 211 E N 5.671 125.905 120.200 0.057 0.000 2.214 211 E HA 0.573 4.923 4.350 -0.000 0.000 0.274 211 E C -1.118 175.509 176.600 0.044 0.000 0.977 211 E CA -0.757 55.669 56.400 0.044 0.000 0.827 211 E CB 2.034 31.761 29.700 0.045 0.000 1.130 211 E HN 0.559 nan 8.360 nan 0.000 0.394 212 I N 1.825 122.409 120.570 0.024 0.000 2.500 212 I HA 0.080 4.250 4.170 -0.000 0.000 0.286 212 I C -0.704 175.444 176.117 0.051 0.000 1.063 212 I CA -0.875 60.441 61.300 0.028 0.000 1.062 212 I CB 1.917 39.859 38.000 -0.097 0.000 1.223 212 I HN 0.572 nan 8.210 nan 0.000 0.435 213 D N 6.556 127.012 120.400 0.093 0.000 2.767 213 D HA 0.083 4.723 4.640 -0.000 0.000 0.231 213 D C 1.250 177.621 176.300 0.118 0.000 1.105 213 D CA 0.050 54.105 54.000 0.091 0.000 1.024 213 D CB 0.387 41.243 40.800 0.093 0.000 1.123 213 D HN 0.298 nan 8.370 nan 0.000 0.470 214 V N 1.990 121.966 119.914 0.104 0.000 2.232 214 V HA -0.354 3.766 4.120 -0.000 0.000 0.254 214 V C 2.229 178.407 176.094 0.140 0.000 1.058 214 V CA 2.175 64.564 62.300 0.149 0.000 1.048 214 V CB -0.665 31.199 31.823 0.068 0.000 0.668 214 V HN 0.400 nan 8.190 nan 0.000 0.462 215 E N 0.102 120.355 120.200 0.087 0.000 2.338 215 E HA -0.038 4.312 4.350 -0.000 0.000 0.197 215 E C 2.042 178.673 176.600 0.053 0.000 1.007 215 E CA 0.914 57.354 56.400 0.066 0.000 0.849 215 E CB -0.526 29.208 29.700 0.057 0.000 0.774 215 E HN 0.640 nan 8.360 nan 0.000 0.506 216 G N 0.207 109.044 108.800 0.062 0.000 2.404 216 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.214 216 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.214 216 G C 1.354 176.285 174.900 0.052 0.000 1.189 216 G CA 0.481 45.612 45.100 0.052 0.000 0.789 216 G HN 0.244 nan 8.290 nan 0.000 0.533 217 Q N -0.150 119.705 119.800 0.091 0.000 2.079 217 Q HA 0.088 4.428 4.340 -0.000 0.000 0.200 217 Q C 2.646 178.632 176.000 -0.023 0.000 0.974 217 Q CA 0.660 56.522 55.803 0.098 0.000 0.840 217 Q CB -0.257 28.621 28.738 0.233 0.000 0.898 217 Q HN 0.380 nan 8.270 nan 0.000 0.430 218 L N 0.722 121.875 121.223 -0.116 0.000 2.079 218 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 218 L C 2.416 179.339 176.870 0.087 0.000 1.081 218 L CA 1.080 55.861 54.840 -0.098 0.000 0.752 218 L CB -0.275 41.755 42.059 -0.048 0.000 0.896 218 L HN 0.107 nan 8.230 nan 0.000 0.433 219 K N 0.241 120.650 120.400 0.016 0.000 1.978 219 K HA -0.210 4.110 4.320 -0.000 0.000 0.214 219 K C 2.122 178.642 176.600 -0.132 0.000 1.049 219 K CA 1.636 57.894 56.287 -0.048 0.000 0.939 219 K CB -0.114 32.359 32.500 -0.045 0.000 0.721 219 K HN -0.056 nan 8.250 nan 0.000 0.441 220 R N 0.425 120.840 120.500 -0.141 0.000 2.094 220 R HA -0.076 4.264 4.340 -0.000 0.000 0.239 220 R C 2.334 178.411 176.300 -0.371 0.000 1.137 220 R CA 1.618 57.515 56.100 -0.338 0.000 0.943 220 R CB -1.026 29.128 30.300 -0.243 0.000 0.850 220 R HN 0.193 nan 8.270 nan 0.000 0.433 221 L N 0.613 121.860 121.223 0.040 0.000 2.010 221 L HA -0.346 3.994 4.340 -0.000 0.000 0.219 221 L C 2.488 179.425 176.870 0.112 0.000 1.077 221 L CA 1.924 56.949 54.840 0.308 0.000 0.773 221 L CB -0.474 41.748 42.059 0.270 0.000 0.892 221 L HN 0.243 nan 8.230 nan 0.000 0.436 222 K N -0.359 119.966 120.400 -0.126 0.000 2.209 222 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 222 K C 1.969 178.390 176.600 -0.299 0.000 1.048 222 K CA 1.184 57.209 56.287 -0.435 0.000 0.940 222 K CB -0.207 31.706 32.500 -0.978 0.000 0.729 222 K HN 0.409 nan 8.250 nan 0.000 0.451 223 G N 0.292 108.905 108.800 -0.311 0.000 2.402 223 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 223 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 223 G C 1.124 175.884 174.900 -0.233 0.000 1.162 223 G CA 0.398 45.302 45.100 -0.328 0.000 0.777 223 G HN 0.203 nan 8.290 nan 0.000 0.539 224 F N 1.994 121.884 119.950 -0.100 0.000 2.134 224 F HA 0.040 4.567 4.527 -0.000 0.000 0.299 224 F C 3.036 178.841 175.800 0.008 0.000 1.097 224 F CA 0.420 58.413 58.000 -0.011 0.000 1.264 224 F CB -0.883 38.186 39.000 0.114 0.000 1.001 224 F HN 0.250 nan 8.300 nan 0.000 0.479 225 A N 0.223 123.129 122.820 0.144 0.000 1.869 225 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 225 A C 2.190 179.786 177.584 0.020 0.000 1.203 225 A CA 2.146 54.207 52.037 0.041 0.000 0.638 225 A CB -0.746 18.213 19.000 -0.068 0.000 0.831 225 A HN 0.291 nan 8.150 nan 0.000 0.450 226 E N -0.298 119.881 120.200 -0.034 0.000 2.204 226 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 226 E C 2.130 178.722 176.600 -0.012 0.000 0.989 226 E CA 0.782 57.157 56.400 -0.042 0.000 0.824 226 E CB -0.410 29.238 29.700 -0.086 0.000 0.756 226 E HN 0.631 nan 8.360 nan 0.000 0.477 227 R N 0.058 120.564 120.500 0.010 0.000 2.115 227 R HA 0.012 4.352 4.340 -0.000 0.000 0.226 227 R C 2.089 178.485 176.300 0.160 0.000 1.100 227 R CA 0.688 56.809 56.100 0.035 0.000 0.980 227 R CB -0.019 30.237 30.300 -0.073 0.000 0.875 227 R HN 0.167 nan 8.270 nan 0.000 0.445 228 I N 0.201 120.888 120.570 0.196 0.000 2.296 228 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 228 I C 2.378 178.538 176.117 0.073 0.000 1.087 228 I CA 0.766 62.167 61.300 0.168 0.000 1.393 228 I CB -1.103 36.988 38.000 0.151 0.000 1.093 228 I HN 0.113 nan 8.210 nan 0.000 0.421 229 R N 1.316 121.845 120.500 0.047 0.000 2.270 229 R HA -0.225 4.115 4.340 -0.000 0.000 0.260 229 R C -0.502 175.810 176.300 0.019 0.000 1.127 229 R CA 2.870 58.984 56.100 0.024 0.000 0.969 229 R CB -1.355 28.950 30.300 0.009 0.000 0.918 229 R HN 0.311 nan 8.270 nan 0.000 0.455 230 P HA -0.145 nan 4.420 nan 0.000 0.223 230 P C 0.933 178.236 177.300 0.006 0.000 1.151 230 P CA 1.566 64.669 63.100 0.004 0.000 0.787 230 P CB -0.025 31.667 31.700 -0.014 0.000 0.788 231 M N -1.074 118.531 119.600 0.008 0.000 2.501 231 M HA 0.060 4.540 4.480 -0.000 0.000 0.261 231 M C 0.658 176.961 176.300 0.004 0.000 1.129 231 M CA 0.303 55.603 55.300 0.001 0.000 1.126 231 M CB 0.034 32.632 32.600 -0.003 0.000 1.359 231 M HN -0.320 nan 8.290 nan 0.000 0.471 232 V N 2.309 122.230 119.914 0.012 0.000 2.715 232 V HA 0.180 4.300 4.120 -0.000 0.000 0.299 232 V C 0.424 176.544 176.094 0.044 0.000 1.054 232 V CA 0.163 62.472 62.300 0.015 0.000 1.077 232 V CB 0.462 32.294 31.823 0.015 0.000 0.972 232 V HN 0.404 nan 8.190 nan 0.000 0.484 233 R N 1.442 121.981 120.500 0.064 0.000 2.844 233 R HA 0.333 4.673 4.340 -0.000 0.000 0.264 233 R C -1.233 175.158 176.300 0.153 0.000 1.077 233 R CA -0.974 55.197 56.100 0.119 0.000 0.953 233 R CB 1.246 31.637 30.300 0.152 0.000 1.272 233 R HN 0.749 nan 8.270 nan 0.000 0.447 234 D N 0.396 120.925 120.400 0.214 0.000 2.325 234 D HA 0.103 4.743 4.640 -0.000 0.000 0.251 234 D C 0.705 177.197 176.300 0.320 0.000 1.196 234 D CA 0.190 54.328 54.000 0.230 0.000 0.866 234 D CB 1.614 42.555 40.800 0.234 0.000 1.101 234 D HN 0.655 nan 8.370 nan 0.000 0.476 235 G N 3.020 112.006 108.800 0.311 0.000 2.402 235 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 235 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 235 G C 1.641 176.779 174.900 0.396 0.000 1.162 235 G CA 0.390 45.765 45.100 0.457 0.000 0.777 235 G HN 0.492 nan 8.290 nan 0.000 0.539 236 V N -0.028 120.068 119.914 0.304 0.000 2.255 236 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 236 V C 2.249 178.529 176.094 0.310 0.000 1.051 236 V CA 2.005 64.463 62.300 0.263 0.000 1.018 236 V CB -0.842 31.091 31.823 0.183 0.000 0.641 236 V HN 0.521 nan 8.190 nan 0.000 0.445 237 Y N -0.216 120.179 120.300 0.159 0.000 2.070 237 Y HA -0.358 4.192 4.550 -0.000 0.000 0.280 237 Y C 2.409 178.409 175.900 0.167 0.000 1.148 237 Y CA 2.200 60.385 58.100 0.142 0.000 1.125 237 Y CB -0.346 38.179 38.460 0.109 0.000 0.975 237 Y HN 0.237 nan 8.280 nan 0.000 0.492 238 F N 0.642 120.596 119.950 0.007 0.000 2.032 238 F HA -0.430 4.097 4.527 -0.000 0.000 0.297 238 F C 2.284 177.948 175.800 -0.227 0.000 1.125 238 F CA 2.323 60.211 58.000 -0.187 0.000 1.202 238 F CB -0.594 38.303 39.000 -0.171 0.000 0.958 238 F HN 0.077 nan 8.300 nan 0.000 0.491 239 M N -0.988 118.628 119.600 0.026 0.000 2.279 239 M HA -0.232 4.248 4.480 -0.000 0.000 0.264 239 M C 2.054 178.317 176.300 -0.061 0.000 1.062 239 M CA 1.413 56.669 55.300 -0.072 0.000 1.099 239 M CB -1.468 31.192 32.600 0.100 0.000 1.394 239 M HN 0.464 nan 8.290 nan 0.000 0.426 240 Y N 1.605 121.866 120.300 -0.065 0.000 2.163 240 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 240 Y C 2.257 178.128 175.900 -0.048 0.000 1.136 240 Y CA 1.704 59.816 58.100 0.019 0.000 1.147 240 Y CB -0.099 38.380 38.460 0.032 0.000 0.987 240 Y HN 0.220 nan 8.280 nan 0.000 0.509 241 E N 0.242 120.314 120.200 -0.213 0.000 2.070 241 E HA -0.281 4.069 4.350 -0.000 0.000 0.197 241 E C 2.388 178.780 176.600 -0.347 0.000 1.004 241 E CA 1.370 57.570 56.400 -0.334 0.000 0.805 241 E CB -0.792 28.592 29.700 -0.527 0.000 0.744 241 E HN 0.559 nan 8.360 nan 0.000 0.451 242 A N 0.994 123.551 122.820 -0.438 0.000 1.972 242 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 242 A C 2.273 179.684 177.584 -0.289 0.000 1.169 242 A CA 1.050 52.856 52.037 -0.384 0.000 0.635 242 A CB -0.442 18.279 19.000 -0.466 0.000 0.810 242 A HN 0.170 nan 8.150 nan 0.000 0.446 243 L N -2.408 118.638 121.223 -0.296 0.000 2.477 243 L HA 0.086 4.426 4.340 -0.000 0.000 0.220 243 L C 1.468 177.998 176.870 -0.566 0.000 1.106 243 L CA 0.631 55.251 54.840 -0.367 0.000 0.851 243 L CB -0.189 41.663 42.059 -0.346 0.000 0.994 243 L HN 0.457 nan 8.230 nan 0.000 0.462 244 H N -1.182 117.642 119.070 -0.411 0.000 2.893 244 H HA 0.255 4.811 4.556 -0.000 0.000 0.270 244 H C 1.245 176.425 175.328 -0.245 0.000 1.095 244 H CA 0.172 55.998 56.048 -0.370 0.000 1.186 244 H CB 0.618 30.016 29.762 -0.606 0.000 1.562 244 H HN 0.166 nan 8.280 nan 0.000 0.536 245 G N 1.227 109.936 108.800 -0.151 0.000 2.666 245 G HA2 0.219 4.179 3.960 -0.000 0.000 0.207 245 G HA3 0.219 4.179 3.960 -0.000 0.000 0.207 245 G C -1.737 173.097 174.900 -0.111 0.000 1.481 245 G CA -0.975 44.055 45.100 -0.118 0.000 1.071 245 G HN 0.019 nan 8.290 nan 0.000 0.572 246 P HA 0.228 nan 4.420 nan 0.000 0.272 246 P C -2.524 174.716 177.300 -0.100 0.000 1.223 246 P CA -0.916 62.134 63.100 -0.084 0.000 0.784 246 P CB 0.298 31.957 31.700 -0.069 0.000 0.923 247 P HA 0.054 nan 4.420 nan 0.000 0.262 247 P C -0.330 176.920 177.300 -0.084 0.000 1.182 247 P CA 0.767 63.814 63.100 -0.089 0.000 0.761 247 P CB 0.680 32.340 31.700 -0.067 0.000 0.795 248 K N 2.310 122.653 120.400 -0.094 0.000 2.480 248 K HA 0.417 4.737 4.320 -0.000 0.000 0.258 248 K C -0.348 176.214 176.600 -0.065 0.000 0.990 248 K CA -0.960 55.277 56.287 -0.082 0.000 0.857 248 K CB 2.368 34.803 32.500 -0.109 0.000 1.384 248 K HN 0.299 nan 8.250 nan 0.000 0.446 249 K N 1.812 122.186 120.400 -0.043 0.000 2.389 249 K HA 0.346 4.666 4.320 -0.000 0.000 0.261 249 K C -1.040 175.552 176.600 -0.014 0.000 1.014 249 K CA -0.533 55.740 56.287 -0.022 0.000 0.920 249 K CB 1.533 34.031 32.500 -0.004 0.000 1.149 249 K HN 0.193 nan 8.250 nan 0.000 0.444 250 V N 4.325 124.231 119.914 -0.015 0.000 2.435 250 V HA 0.381 4.501 4.120 -0.000 0.000 0.290 250 V C -0.666 175.444 176.094 0.025 0.000 1.030 250 V CA -1.021 61.282 62.300 0.005 0.000 0.881 250 V CB 1.521 33.339 31.823 -0.007 0.000 0.983 250 V HN 0.528 nan 8.190 nan 0.000 0.445 251 L N 5.876 127.125 121.223 0.043 0.000 2.325 251 L HA 0.652 4.992 4.340 -0.000 0.000 0.281 251 L C -0.527 176.383 176.870 0.067 0.000 1.004 251 L CA -0.020 54.849 54.840 0.049 0.000 0.823 251 L CB 1.795 43.877 42.059 0.038 0.000 1.236 251 L HN 0.471 nan 8.230 nan 0.000 0.415 252 V N 4.628 124.583 119.914 0.068 0.000 2.370 252 V HA 0.369 4.489 4.120 -0.000 0.000 0.283 252 V C 0.041 176.181 176.094 0.077 0.000 1.023 252 V CA -0.663 61.687 62.300 0.082 0.000 0.857 252 V CB 1.388 33.261 31.823 0.083 0.000 0.985 252 V HN 0.768 nan 8.190 nan 0.000 0.443 253 E N 4.152 124.400 120.200 0.081 0.000 2.014 253 E HA 0.468 4.818 4.350 -0.000 0.000 0.275 253 E C 0.475 177.150 176.600 0.126 0.000 0.997 253 E CA -0.443 56.014 56.400 0.095 0.000 0.804 253 E CB 0.979 30.740 29.700 0.102 0.000 1.090 253 E HN 0.841 nan 8.360 nan 0.000 0.401 254 G N 2.896 111.771 108.800 0.125 0.000 2.483 254 G HA2 0.430 4.390 3.960 -0.000 0.000 0.248 254 G HA3 0.430 4.390 3.960 -0.000 0.000 0.248 254 G C -0.532 174.498 174.900 0.217 0.000 1.248 254 G CA -0.034 45.147 45.100 0.136 0.000 0.838 254 G HN 0.599 nan 8.290 nan 0.000 0.566 255 A N 1.632 124.552 122.820 0.167 0.000 2.354 255 A HA 0.784 5.103 4.320 -0.000 0.000 0.321 255 A C 0.510 178.183 177.584 0.149 0.000 1.125 255 A CA -0.097 52.037 52.037 0.162 0.000 0.799 255 A CB 0.690 19.705 19.000 0.024 0.000 1.293 255 A HN 1.092 nan 8.150 nan 0.000 0.452 256 N N -1.131 117.667 118.700 0.163 0.000 1.243 256 N HA -0.029 4.711 4.740 -0.000 0.000 0.121 256 N C -0.127 175.468 175.510 0.142 0.000 0.850 256 N CA 1.700 54.834 53.050 0.140 0.000 0.883 256 N CB -0.861 37.693 38.487 0.112 0.000 1.027 256 N HN 2.005 nan 8.380 nan 0.000 0.616 257 A N -1.552 121.347 122.820 0.132 0.000 2.581 257 A HA 0.840 5.160 4.320 -0.000 0.000 0.290 257 A C 0.601 178.245 177.584 0.100 0.000 1.119 257 A CA 0.165 52.268 52.037 0.111 0.000 0.670 257 A CB 0.242 19.299 19.000 0.096 0.000 1.280 257 A HN 1.141 nan 8.150 nan 0.000 0.425 258 A N -0.429 122.432 122.820 0.067 0.000 1.873 258 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 258 A C 1.372 178.985 177.584 0.048 0.000 1.193 258 A CA 1.982 54.046 52.037 0.045 0.000 0.629 258 A CB -0.582 18.421 19.000 0.005 0.000 0.826 258 A HN 0.827 nan 8.150 nan 0.000 0.447 259 L N -0.459 120.713 121.223 -0.085 0.000 2.675 259 L HA 0.162 4.502 4.340 -0.000 0.000 0.239 259 L C 1.133 178.168 176.870 0.275 0.000 1.151 259 L CA 0.854 55.648 54.840 -0.077 0.000 0.905 259 L CB -0.792 40.763 42.059 -0.841 0.000 1.057 259 L HN 0.414 nan 8.230 nan 0.000 0.435 260 L N -1.452 119.927 121.223 0.261 0.000 2.808 260 L HA 0.183 4.523 4.340 -0.000 0.000 0.246 260 L C 0.782 177.769 176.870 0.195 0.000 1.153 260 L CA -0.130 54.884 54.840 0.290 0.000 0.956 260 L CB 0.550 42.764 42.059 0.257 0.000 1.270 260 L HN 0.110 nan 8.230 nan 0.000 0.528 261 D N 1.255 121.766 120.400 0.184 0.000 2.401 261 D HA -0.056 4.584 4.640 -0.000 0.000 0.254 261 D C 1.255 177.608 176.300 0.088 0.000 1.192 261 D CA -0.021 54.056 54.000 0.129 0.000 0.885 261 D CB 1.529 42.445 40.800 0.194 0.000 1.147 261 D HN 0.037 nan 8.370 nan 0.000 0.478 262 I N 4.183 124.760 120.570 0.012 0.000 2.381 262 I HA -0.270 3.900 4.170 -0.000 0.000 0.255 262 I C 1.363 177.433 176.117 -0.078 0.000 1.140 262 I CA 1.693 62.999 61.300 0.010 0.000 1.404 262 I CB 0.065 38.014 38.000 -0.085 0.000 1.075 262 I HN 0.449 nan 8.210 nan 0.000 0.433 263 D N -1.000 119.238 120.400 -0.270 0.000 2.414 263 D HA 0.013 4.653 4.640 -0.000 0.000 0.237 263 D C 1.635 177.629 176.300 -0.509 0.000 0.975 263 D CA 1.003 54.658 54.000 -0.576 0.000 0.917 263 D CB 0.084 40.236 40.800 -1.080 0.000 1.061 263 D HN 0.363 nan 8.370 nan 0.000 0.480 264 F N 1.255 121.268 119.950 0.106 0.000 2.749 264 F HA 0.274 4.801 4.527 -0.000 0.000 0.300 264 F C 1.644 177.635 175.800 0.317 0.000 1.103 264 F CA -0.432 57.694 58.000 0.209 0.000 1.342 264 F CB -0.262 38.799 39.000 0.101 0.000 1.098 264 F HN -0.201 nan 8.300 nan 0.000 0.586 265 G N 0.024 109.045 108.800 0.369 0.000 2.588 265 G HA2 0.276 4.236 3.960 -0.000 0.000 0.278 265 G HA3 0.276 4.236 3.960 -0.000 0.000 0.278 265 G C 0.285 175.451 174.900 0.444 0.000 1.307 265 G CA -0.158 45.175 45.100 0.387 0.000 1.016 265 G HN 0.170 nan 8.290 nan 0.000 0.503 266 T N -1.739 113.132 114.554 0.529 0.000 4.647 266 T HA 0.096 4.446 4.350 -0.000 0.000 0.224 266 T C 0.174 175.133 174.700 0.432 0.000 0.928 266 T CA -0.456 61.962 62.100 0.530 0.000 0.969 266 T CB -0.984 68.263 68.868 0.632 0.000 1.425 266 T HN 0.334 nan 8.240 nan 0.000 1.045 267 Y N 3.944 124.376 120.300 0.220 0.000 2.702 267 Y HA 0.179 4.729 4.550 -0.000 0.000 0.336 267 Y C -1.260 174.665 175.900 0.042 0.000 1.235 267 Y CA -1.612 56.539 58.100 0.086 0.000 1.492 267 Y CB 0.937 39.424 38.460 0.045 0.000 1.308 267 Y HN 0.307 nan 8.280 nan 0.000 0.589 268 P HA 0.040 nan 4.420 nan 0.000 0.261 268 P C -0.710 176.084 177.300 -0.844 0.000 1.352 268 P CA 0.332 62.662 63.100 -1.284 0.000 0.891 268 P CB -0.248 30.648 31.700 -1.340 0.000 1.383 269 F N 1.994 121.878 119.950 -0.110 0.000 2.669 269 F HA 0.178 4.705 4.527 -0.000 0.000 0.353 269 F C 1.124 176.949 175.800 0.041 0.000 1.192 269 F CA -0.477 57.500 58.000 -0.038 0.000 1.317 269 F CB -0.281 38.703 39.000 -0.026 0.000 1.652 269 F HN -0.166 nan 8.300 nan 0.000 0.608 270 V N -3.157 116.790 119.914 0.054 0.000 3.206 270 V HA 0.650 4.770 4.120 -0.000 0.000 0.305 270 V C -0.167 175.964 176.094 0.062 0.000 1.257 270 V CA -0.879 61.495 62.300 0.124 0.000 1.057 270 V CB 1.476 33.398 31.823 0.165 0.000 1.075 270 V HN 0.086 nan 8.190 nan 0.000 0.443 271 T N -0.002 114.602 114.554 0.084 0.000 2.770 271 T HA 0.376 4.726 4.350 -0.000 0.000 0.281 271 T C 0.740 175.448 174.700 0.013 0.000 0.981 271 T CA 0.390 62.523 62.100 0.056 0.000 0.955 271 T CB 1.213 70.124 68.868 0.071 0.000 1.060 271 T HN 0.975 nan 8.240 nan 0.000 0.531 272 S N 1.440 117.130 115.700 -0.017 0.000 2.552 272 S HA 0.315 4.785 4.470 -0.000 0.000 0.246 272 S C -0.072 174.191 174.600 -0.561 0.000 1.019 272 S CA -0.643 57.463 58.200 -0.158 0.000 1.045 272 S CB -0.355 62.836 63.200 -0.016 0.000 0.784 272 S HN 0.760 nan 8.310 nan 0.000 0.453 273 S N 0.453 115.924 115.700 -0.380 0.000 2.627 273 S HA 0.482 4.952 4.470 -0.000 0.000 0.283 273 S C -1.007 173.486 174.600 -0.178 0.000 1.127 273 S CA -1.132 56.804 58.200 -0.439 0.000 0.863 273 S CB 0.729 63.750 63.200 -0.298 0.000 1.121 273 S HN 0.199 nan 8.310 nan 0.000 0.479 274 N N 0.722 119.341 118.700 -0.134 0.000 2.508 274 N HA 0.258 4.998 4.740 -0.000 0.000 0.253 274 N C 0.399 175.923 175.510 0.022 0.000 1.145 274 N CA -0.429 52.599 53.050 -0.037 0.000 0.973 274 N CB -0.004 38.470 38.487 -0.022 0.000 1.305 274 N HN 0.628 nan 8.380 nan 0.000 0.506 275 C N -0.028 119.303 119.300 0.051 0.000 2.500 275 C HA -0.027 4.433 4.460 -0.000 0.000 0.273 275 C C 1.534 176.577 174.990 0.088 0.000 1.428 275 C CA -0.312 58.752 59.018 0.076 0.000 1.766 275 C CB -1.926 25.870 27.740 0.093 0.000 1.817 275 C HN 0.642 nan 8.230 nan 0.000 0.543 276 T N -1.579 113.033 114.554 0.097 0.000 2.788 276 T HA 0.291 4.641 4.350 -0.000 0.000 0.287 276 T C 1.226 175.951 174.700 0.042 0.000 1.007 276 T CA -0.158 61.983 62.100 0.068 0.000 1.005 276 T CB 1.161 70.092 68.868 0.105 0.000 1.012 276 T HN 0.008 nan 8.240 nan 0.000 0.530 277 V N 2.021 121.928 119.914 -0.012 0.000 2.363 277 V HA -0.172 3.948 4.120 -0.000 0.000 0.254 277 V C 2.560 178.658 176.094 0.008 0.000 1.074 277 V CA 2.896 65.187 62.300 -0.014 0.000 1.069 277 V CB -1.454 30.322 31.823 -0.079 0.000 0.659 277 V HN 1.147 nan 8.190 nan 0.000 0.455 278 G N -0.768 108.043 108.800 0.018 0.000 2.469 278 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 278 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 278 G C 1.592 176.518 174.900 0.043 0.000 1.150 278 G CA 0.874 45.996 45.100 0.036 0.000 0.763 278 G HN 0.746 nan 8.290 nan 0.000 0.561 279 G N 0.221 109.050 108.800 0.048 0.000 2.479 279 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.220 279 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.220 279 G C 1.707 176.642 174.900 0.058 0.000 1.115 279 G CA 1.147 46.274 45.100 0.045 0.000 0.757 279 G HN 0.366 nan 8.290 nan 0.000 0.560 280 V N 0.304 120.253 119.914 0.058 0.000 2.358 280 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 280 V C 3.009 179.148 176.094 0.076 0.000 1.047 280 V CA 1.752 64.093 62.300 0.069 0.000 1.035 280 V CB -0.689 31.169 31.823 0.058 0.000 0.658 280 V HN 0.506 nan 8.190 nan 0.000 0.452 281 C N 0.668 120.005 119.300 0.062 0.000 2.462 281 C HA -0.140 4.320 4.460 -0.000 0.000 0.278 281 C C 3.205 178.242 174.990 0.077 0.000 1.253 281 C CA 1.741 60.800 59.018 0.067 0.000 1.713 281 C CB -1.316 26.454 27.740 0.050 0.000 2.049 281 C HN 0.754 nan 8.230 nan 0.000 0.477 282 T N -0.881 113.713 114.554 0.066 0.000 2.867 282 T HA -0.021 4.329 4.350 -0.000 0.000 0.268 282 T C 1.809 176.560 174.700 0.085 0.000 1.057 282 T CA 1.834 63.974 62.100 0.067 0.000 1.136 282 T CB -0.611 68.286 68.868 0.048 0.000 0.874 282 T HN 0.544 nan 8.240 nan 0.000 0.466 283 G N 0.677 109.530 108.800 0.088 0.000 2.551 283 G HA2 0.242 4.202 3.960 -0.000 0.000 0.216 283 G HA3 0.242 4.202 3.960 -0.000 0.000 0.216 283 G C 1.388 176.364 174.900 0.126 0.000 1.137 283 G CA 0.171 45.329 45.100 0.097 0.000 0.798 283 G HN 0.535 nan 8.290 nan 0.000 0.536 284 L N -0.757 120.559 121.223 0.155 0.000 2.575 284 L HA 0.336 4.676 4.340 -0.000 0.000 0.228 284 L C 1.737 178.740 176.870 0.221 0.000 1.075 284 L CA 0.459 55.439 54.840 0.232 0.000 0.867 284 L CB 0.401 42.604 42.059 0.239 0.000 1.097 284 L HN 0.286 nan 8.230 nan 0.000 0.485 285 G N 2.229 111.128 108.800 0.165 0.000 2.171 285 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.238 285 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.238 285 G C 0.029 175.024 174.900 0.158 0.000 1.039 285 G CA 0.359 45.552 45.100 0.154 0.000 0.759 285 G HN 0.421 nan 8.290 nan 0.000 0.501 286 I N -2.211 118.443 120.570 0.141 0.000 2.603 286 I HA 0.840 5.010 4.170 -0.000 0.000 0.300 286 I C -2.201 173.979 176.117 0.105 0.000 1.017 286 I CA -3.177 58.205 61.300 0.137 0.000 1.098 286 I CB 2.406 40.475 38.000 0.116 0.000 1.279 286 I HN -0.066 nan 8.210 nan 0.000 0.437 287 P HA 0.272 nan 4.420 nan 0.000 0.277 287 P C -2.200 175.128 177.300 0.047 0.000 1.240 287 P CA -1.496 61.651 63.100 0.077 0.000 0.798 287 P CB 0.544 32.300 31.700 0.093 0.000 0.979 288 P HA -0.228 nan 4.420 nan 0.000 0.217 288 P C 1.374 178.672 177.300 -0.003 0.000 1.151 288 P CA 1.814 64.918 63.100 0.006 0.000 0.849 288 P CB -0.133 31.565 31.700 -0.003 0.000 0.787 289 Q N -0.153 119.650 119.800 0.005 0.000 2.500 289 Q HA -0.081 4.259 4.340 -0.000 0.000 0.213 289 Q C 0.645 176.632 176.000 -0.023 0.000 0.974 289 Q CA 1.183 56.981 55.803 -0.007 0.000 0.918 289 Q CB -1.121 27.619 28.738 0.004 0.000 0.980 289 Q HN 0.296 nan 8.270 nan 0.000 0.505 290 N N 0.193 118.883 118.700 -0.016 0.000 2.268 290 N HA 0.297 5.037 4.740 -0.000 0.000 0.204 290 N C -0.628 174.860 175.510 -0.037 0.000 1.124 290 N CA -0.028 52.995 53.050 -0.044 0.000 0.838 290 N CB 0.659 39.124 38.487 -0.038 0.000 0.994 290 N HN 0.201 nan 8.380 nan 0.000 0.489 291 I N 0.157 120.710 120.570 -0.028 0.000 2.321 291 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 291 I C 1.102 177.191 176.117 -0.047 0.000 0.998 291 I CA -0.582 60.700 61.300 -0.030 0.000 1.227 291 I CB 1.496 39.483 38.000 -0.022 0.000 1.368 291 I HN 0.105 nan 8.210 nan 0.000 0.466 292 G N 4.980 113.746 108.800 -0.058 0.000 3.223 292 G HA2 0.091 4.051 3.960 -0.000 0.000 0.198 292 G HA3 0.091 4.051 3.960 -0.000 0.000 0.198 292 G C -0.225 174.612 174.900 -0.106 0.000 1.980 292 G CA -0.177 44.880 45.100 -0.071 0.000 0.828 292 G HN 0.457 nan 8.290 nan 0.000 0.680 293 D N 0.620 120.920 120.400 -0.166 0.000 2.390 293 D HA 0.373 5.013 4.640 -0.000 0.000 0.249 293 D C -0.440 175.630 176.300 -0.383 0.000 1.144 293 D CA 0.272 54.068 54.000 -0.340 0.000 0.880 293 D CB 1.861 42.327 40.800 -0.558 0.000 1.182 293 D HN -0.081 nan 8.370 nan 0.000 0.451 294 V N 4.452 124.198 119.914 -0.279 0.000 2.325 294 V HA 0.119 4.239 4.120 -0.000 0.000 0.280 294 V C -0.795 175.335 176.094 0.060 0.000 1.016 294 V CA -0.804 61.447 62.300 -0.082 0.000 0.818 294 V CB 0.166 32.014 31.823 0.041 0.000 1.019 294 V HN 0.327 nan 8.190 nan 0.000 0.434 295 Y N 2.255 122.660 120.300 0.174 0.000 2.336 295 Y HA 0.611 5.161 4.550 0.000 0.000 0.335 295 Y C 1.025 176.890 175.900 -0.059 0.000 1.046 295 Y CA -0.859 57.304 58.100 0.106 0.000 1.198 295 Y CB 1.440 39.975 38.460 0.126 0.000 1.182 295 Y HN 0.613 nan 8.280 nan 0.000 0.502 296 G N 2.923 111.560 108.800 -0.271 0.000 2.347 296 G HA2 0.469 4.429 3.960 -0.000 0.000 0.314 296 G HA3 0.469 4.429 3.960 -0.000 0.000 0.314 296 G C -1.040 173.555 174.900 -0.509 0.000 1.126 296 G CA -0.566 43.920 45.100 -1.024 0.000 0.929 296 G HN 0.476 nan 8.290 nan 0.000 0.441 297 V N 3.153 122.888 119.914 -0.297 0.000 2.455 297 V HA 0.245 4.365 4.120 -0.000 0.000 0.273 297 V C 0.145 176.129 176.094 -0.183 0.000 1.045 297 V CA -0.387 61.799 62.300 -0.189 0.000 0.976 297 V CB 1.056 32.791 31.823 -0.146 0.000 0.993 297 V HN 0.444 nan 8.190 nan 0.000 0.475 298 V N 5.285 125.115 119.914 -0.141 0.000 2.487 298 V HA 0.414 4.534 4.120 -0.000 0.000 0.298 298 V C 0.034 176.094 176.094 -0.057 0.000 1.028 298 V CA -0.971 61.272 62.300 -0.096 0.000 0.860 298 V CB 1.755 33.528 31.823 -0.083 0.000 0.991 298 V HN 0.885 nan 8.190 nan 0.000 0.427 299 K N 3.052 123.410 120.400 -0.071 0.000 2.174 299 K HA 0.604 4.924 4.320 -0.000 0.000 0.275 299 K C 1.241 177.832 176.600 -0.014 0.000 1.015 299 K CA 0.085 56.302 56.287 -0.116 0.000 0.933 299 K CB 1.587 33.913 32.500 -0.290 0.000 1.025 299 K HN 0.756 nan 8.250 nan 0.000 0.463 300 A N 3.635 126.516 122.820 0.102 0.000 2.076 300 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 300 A C -0.023 177.865 177.584 0.508 0.000 1.160 300 A CA 1.280 53.556 52.037 0.398 0.000 0.653 300 A CB -0.719 18.602 19.000 0.535 0.000 0.801 300 A HN 0.719 nan 8.150 nan 0.000 0.455 301 Y N -4.271 116.193 120.300 0.274 0.000 2.669 301 Y HA 0.721 5.271 4.550 -0.000 0.000 0.335 301 Y C -0.314 175.754 175.900 0.280 0.000 1.116 301 Y CA -1.449 56.830 58.100 0.298 0.000 1.081 301 Y CB 0.269 38.858 38.460 0.216 0.000 1.297 301 Y HN -0.195 nan 8.280 nan 0.000 0.484 302 T N 1.638 116.460 114.554 0.446 0.000 2.859 302 T HA 0.646 4.995 4.350 -0.000 0.000 0.281 302 T C -0.392 174.581 174.700 0.454 0.000 1.005 302 T CA -0.473 61.869 62.100 0.403 0.000 1.025 302 T CB 1.245 70.495 68.868 0.636 0.000 0.977 302 T HN 0.912 nan 8.240 nan 0.000 0.458 303 T N 0.419 115.082 114.554 0.181 0.000 2.901 303 T HA 0.814 5.164 4.350 -0.000 0.000 0.293 303 T C -0.896 173.729 174.700 -0.124 0.000 1.084 303 T CA -1.133 61.039 62.100 0.120 0.000 1.008 303 T CB 2.272 71.210 68.868 0.117 0.000 1.170 303 T HN 0.605 nan 8.240 nan 0.000 0.509 304 R N 0.283 120.678 120.500 -0.175 0.000 2.594 304 R HA 0.613 4.953 4.340 -0.000 0.000 0.265 304 R C -2.153 174.074 176.300 -0.123 0.000 1.070 304 R CA -0.780 55.138 56.100 -0.303 0.000 0.909 304 R CB 2.439 32.237 30.300 -0.836 0.000 1.243 304 R HN 0.729 nan 8.270 nan 0.000 0.455 305 V N 3.503 123.365 119.914 -0.086 0.000 2.487 305 V HA 0.940 5.060 4.120 -0.000 0.000 0.298 305 V C -0.298 175.770 176.094 -0.044 0.000 1.028 305 V CA 0.850 63.136 62.300 -0.022 0.000 0.860 305 V CB 1.133 32.972 31.823 0.027 0.000 0.991 305 V HN 1.105 nan 8.190 nan 0.000 0.427 306 G N 5.724 114.503 108.800 -0.034 0.000 2.555 306 G HA2 0.018 3.978 3.960 -0.000 0.000 0.686 306 G HA3 0.018 3.978 3.960 -0.000 0.000 0.686 306 G C -0.925 173.928 174.900 -0.079 0.000 1.275 306 G CA -0.500 44.586 45.100 -0.024 0.000 0.871 306 G HN 0.948 nan 8.290 nan 0.000 0.603 307 I N 1.235 121.776 120.570 -0.048 0.000 2.938 307 I HA 0.583 4.753 4.170 -0.000 0.000 0.285 307 I C 1.393 177.247 176.117 -0.439 0.000 1.182 307 I CA 1.640 62.816 61.300 -0.206 0.000 1.388 307 I CB 0.291 38.206 38.000 -0.142 0.000 1.390 307 I HN 2.276 nan 8.210 nan 0.000 0.600 308 G N 2.711 111.075 108.800 -0.727 0.000 2.375 308 G HA2 0.355 4.315 3.960 -0.000 0.000 0.663 308 G HA3 0.355 4.315 3.960 -0.000 0.000 0.663 308 G C -0.671 173.994 174.900 -0.391 0.000 1.391 308 G CA -0.458 44.204 45.100 -0.729 0.000 0.949 308 G HN 0.897 nan 8.290 nan 0.000 0.646 309 A N 0.321 123.003 122.820 -0.230 0.000 2.555 309 A HA 0.550 4.870 4.320 -0.000 0.000 0.233 309 A C -0.022 177.542 177.584 -0.033 0.000 1.060 309 A CA 0.902 52.901 52.037 -0.065 0.000 0.759 309 A CB 0.255 19.281 19.000 0.042 0.000 0.995 309 A HN 2.011 nan 8.150 nan 0.000 0.506 310 F N 4.020 123.909 119.950 -0.102 0.000 2.883 310 F HA 0.383 4.910 4.527 -0.000 0.000 0.383 310 F C -2.399 173.478 175.800 0.128 0.000 1.342 310 F CA -2.276 55.708 58.000 -0.027 0.000 1.150 310 F CB 0.361 39.262 39.000 -0.166 0.000 2.189 310 F HN 0.359 nan 8.300 nan 0.000 0.593 311 P HA -0.254 nan 4.420 nan 0.000 0.225 311 P C 1.521 178.936 177.300 0.191 0.000 1.154 311 P CA 3.136 66.344 63.100 0.179 0.000 0.933 311 P CB 0.054 31.813 31.700 0.097 0.000 0.790 312 T N -4.173 110.566 114.554 0.309 0.000 3.188 312 T HA 0.098 4.448 4.350 -0.000 0.000 0.250 312 T C 0.466 175.022 174.700 -0.239 0.000 1.077 312 T CA -0.390 61.884 62.100 0.289 0.000 0.967 312 T CB -0.854 68.377 68.868 0.605 0.000 1.006 312 T HN 0.176 nan 8.240 nan 0.000 0.552 313 E N 1.648 121.325 120.200 -0.871 0.000 2.481 313 E HA -0.057 4.293 4.350 -0.000 0.000 0.263 313 E C -0.317 176.005 176.600 -0.463 0.000 0.992 313 E CA 0.241 55.930 56.400 -1.184 0.000 0.938 313 E CB 0.344 29.508 29.700 -0.893 0.000 0.933 313 E HN 0.236 nan 8.360 nan 0.000 0.453 314 Q N 4.755 124.317 119.800 -0.397 0.000 2.798 314 Q HA 0.260 4.600 4.340 -0.000 0.000 0.250 314 Q C -0.686 175.193 176.000 -0.202 0.000 1.006 314 Q CA -0.269 55.364 55.803 -0.282 0.000 0.759 314 Q CB 0.689 29.171 28.738 -0.426 0.000 1.201 314 Q HN 0.606 nan 8.270 nan 0.000 0.486 315 I N 2.844 123.327 120.570 -0.146 0.000 2.352 315 I HA 0.022 4.192 4.170 -0.000 0.000 0.303 315 I C 0.165 176.230 176.117 -0.086 0.000 1.194 315 I CA 0.107 61.349 61.300 -0.096 0.000 1.518 315 I CB -0.847 37.110 38.000 -0.072 0.000 1.489 315 I HN 0.436 nan 8.210 nan 0.000 0.702 316 N N 1.500 120.140 118.700 -0.100 0.000 3.427 316 N HA 0.014 4.754 4.740 -0.000 0.000 0.313 316 N C 0.364 175.813 175.510 -0.101 0.000 1.491 316 N CA -0.826 52.171 53.050 -0.088 0.000 0.870 316 N CB 0.524 38.959 38.487 -0.087 0.000 1.763 316 N HN 0.120 nan 8.380 nan 0.000 0.502 317 E N -0.062 120.085 120.200 -0.089 0.000 2.065 317 E HA -0.191 4.159 4.350 -0.000 0.000 0.201 317 E C 1.279 177.798 176.600 -0.135 0.000 1.016 317 E CA 2.204 58.550 56.400 -0.091 0.000 0.818 317 E CB -0.231 29.425 29.700 -0.073 0.000 0.749 317 E HN 0.535 nan 8.360 nan 0.000 0.453 318 I N 0.383 120.844 120.570 -0.183 0.000 2.127 318 I HA -0.229 3.941 4.170 -0.000 0.000 0.241 318 I C 2.564 178.481 176.117 -0.333 0.000 1.075 318 I CA 1.308 62.428 61.300 -0.300 0.000 1.334 318 I CB -0.651 37.088 38.000 -0.435 0.000 1.040 318 I HN 0.300 nan 8.210 nan 0.000 0.405 319 G N 0.294 108.917 108.800 -0.295 0.000 2.450 319 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 319 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 319 G C 1.233 176.050 174.900 -0.138 0.000 1.130 319 G CA 0.958 45.922 45.100 -0.228 0.000 0.760 319 G HN 0.334 nan 8.290 nan 0.000 0.557 320 D N 0.002 120.335 120.400 -0.113 0.000 2.183 320 D HA -0.057 4.583 4.640 -0.000 0.000 0.203 320 D C 2.362 178.622 176.300 -0.067 0.000 0.969 320 D CA 0.391 54.355 54.000 -0.060 0.000 0.842 320 D CB -0.121 40.650 40.800 -0.049 0.000 0.957 320 D HN 0.284 nan 8.370 nan 0.000 0.484 321 L N 0.771 121.920 121.223 -0.124 0.000 2.044 321 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 321 L C 2.178 178.938 176.870 -0.183 0.000 1.075 321 L CA 1.307 56.065 54.840 -0.137 0.000 0.747 321 L CB -0.653 41.304 42.059 -0.171 0.000 0.903 321 L HN -0.050 nan 8.230 nan 0.000 0.435 322 L N -0.648 120.403 121.223 -0.286 0.000 1.989 322 L HA -0.267 4.073 4.340 -0.000 0.000 0.211 322 L C 2.704 179.431 176.870 -0.239 0.000 1.071 322 L CA 1.940 56.508 54.840 -0.453 0.000 0.749 322 L CB -0.812 40.886 42.059 -0.601 0.000 0.890 322 L HN 0.469 nan 8.230 nan 0.000 0.431 323 Q N 0.039 119.789 119.800 -0.082 0.000 2.197 323 Q HA -0.252 4.088 4.340 -0.000 0.000 0.207 323 Q C 2.007 178.088 176.000 0.135 0.000 0.984 323 Q CA 1.659 57.501 55.803 0.065 0.000 0.869 323 Q CB -0.026 28.768 28.738 0.093 0.000 0.906 323 Q HN 0.488 nan 8.270 nan 0.000 0.426 324 N N 0.109 118.866 118.700 0.095 0.000 2.182 324 N HA -0.060 4.680 4.740 -0.000 0.000 0.186 324 N C 1.732 177.346 175.510 0.174 0.000 1.036 324 N CA 0.858 54.025 53.050 0.195 0.000 0.850 324 N CB 0.030 38.582 38.487 0.108 0.000 1.010 324 N HN 0.218 nan 8.380 nan 0.000 0.432 325 R N -0.256 120.244 120.500 0.000 0.000 2.152 325 R HA -0.027 4.313 4.340 -0.000 0.000 0.232 325 R C 1.759 177.911 176.300 -0.247 0.000 1.117 325 R CA 1.186 57.231 56.100 -0.093 0.000 0.981 325 R CB -0.223 30.003 30.300 -0.123 0.000 0.870 325 R HN 0.193 nan 8.270 nan 0.000 0.451 326 G N -0.740 107.956 108.800 -0.173 0.000 3.189 326 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.225 326 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.225 326 G C -0.586 174.177 174.900 -0.228 0.000 1.159 326 G CA -0.313 44.701 45.100 -0.142 0.000 0.763 326 G HN 0.340 nan 8.290 nan 0.000 0.549 327 H N 0.534 119.411 119.070 -0.322 0.000 2.604 327 H HA -0.104 4.452 4.556 -0.000 0.000 0.321 327 H C -0.083 174.661 175.328 -0.974 0.000 1.132 327 H CA 0.731 56.151 56.048 -1.047 0.000 1.129 327 H CB -1.626 27.501 29.762 -1.058 0.000 1.526 327 H HN 0.375 nan 8.280 nan 0.000 0.415 328 E N 0.398 120.447 120.200 -0.251 0.000 1.979 328 E HA 0.158 4.508 4.350 -0.000 0.000 0.285 328 E C 0.473 177.125 176.600 0.087 0.000 1.188 328 E CA -0.015 56.341 56.400 -0.073 0.000 1.214 328 E CB -0.525 29.243 29.700 0.113 0.000 1.210 328 E HN 0.550 nan 8.360 nan 0.000 0.477 329 W N -1.019 120.338 121.300 0.094 0.000 3.107 329 W HA 0.587 5.247 4.660 -0.000 0.000 0.331 329 W C 0.169 176.719 176.519 0.052 0.000 1.204 329 W CA -1.974 55.408 57.345 0.061 0.000 1.184 329 W CB -0.007 29.478 29.460 0.041 0.000 1.421 329 W HN 0.185 nan 8.180 nan 0.000 0.544 330 G N 1.642 110.648 108.800 0.343 0.000 2.151 330 G HA2 0.108 4.068 3.960 -0.000 0.000 0.269 330 G HA3 0.108 4.068 3.960 -0.000 0.000 0.269 330 G C 0.430 175.508 174.900 0.297 0.000 1.069 330 G CA 0.100 45.342 45.100 0.238 0.000 1.080 330 G HN 1.179 nan 8.290 nan 0.000 0.405 331 V N 2.833 122.878 119.914 0.220 0.000 3.330 331 V HA -0.067 4.053 4.120 -0.000 0.000 0.273 331 V C 1.726 177.928 176.094 0.179 0.000 1.179 331 V CA 2.493 64.919 62.300 0.209 0.000 1.174 331 V CB -0.582 31.317 31.823 0.126 0.000 0.794 331 V HN 0.842 nan 8.190 nan 0.000 0.527 332 T N -1.933 112.717 114.554 0.161 0.000 3.280 332 T HA 0.021 4.371 4.350 -0.000 0.000 0.256 332 T C 1.561 176.307 174.700 0.077 0.000 0.995 332 T CA 0.802 62.968 62.100 0.109 0.000 1.144 332 T CB -0.001 68.930 68.868 0.106 0.000 1.140 332 T HN 0.547 nan 8.240 nan 0.000 0.423 333 T N -0.285 114.318 114.554 0.080 0.000 3.081 333 T HA 0.427 4.777 4.350 -0.000 0.000 0.250 333 T C 1.901 176.623 174.700 0.037 0.000 1.100 333 T CA 0.815 62.945 62.100 0.049 0.000 1.038 333 T CB -0.189 68.707 68.868 0.046 0.000 0.962 333 T HN 0.780 nan 8.240 nan 0.000 0.516 334 G N 1.806 110.648 108.800 0.070 0.000 2.162 334 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 334 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 334 G C 0.212 175.139 174.900 0.046 0.000 0.976 334 G CA -0.249 44.855 45.100 0.005 0.000 0.655 334 G HN 0.573 nan 8.290 nan 0.000 0.533 335 R N 0.941 121.500 120.500 0.098 0.000 2.370 335 R HA 0.237 4.577 4.340 -0.000 0.000 0.309 335 R C 0.724 177.128 176.300 0.173 0.000 1.059 335 R CA 0.040 56.200 56.100 0.099 0.000 0.981 335 R CB 0.440 30.787 30.300 0.078 0.000 0.972 335 R HN 0.397 nan 8.270 nan 0.000 0.437 336 K N 3.213 123.713 120.400 0.167 0.000 2.295 336 K HA 0.118 4.438 4.320 -0.000 0.000 0.270 336 K C 0.304 176.999 176.600 0.160 0.000 1.011 336 K CA -0.022 56.399 56.287 0.223 0.000 0.953 336 K CB 0.773 33.387 32.500 0.189 0.000 0.956 336 K HN 0.258 nan 8.250 nan 0.000 0.477 337 R N 1.558 122.158 120.500 0.165 0.000 2.500 337 R HA 0.233 4.573 4.340 -0.000 0.000 0.277 337 R C -0.318 176.073 176.300 0.152 0.000 1.026 337 R CA -0.734 55.444 56.100 0.130 0.000 1.058 337 R CB 0.922 31.292 30.300 0.117 0.000 1.078 337 R HN 0.438 nan 8.270 nan 0.000 0.509 338 R N 0.887 121.484 120.500 0.162 0.000 2.537 338 R HA 0.139 4.479 4.340 -0.000 0.000 0.280 338 R C -0.554 175.991 176.300 0.408 0.000 1.058 338 R CA -0.015 56.234 56.100 0.249 0.000 1.057 338 R CB 0.289 30.782 30.300 0.323 0.000 0.973 338 R HN 0.461 nan 8.270 nan 0.000 0.438 339 C N 1.854 121.331 119.300 0.295 0.000 2.456 339 C HA 0.868 5.328 4.460 -0.000 0.000 0.325 339 C C 0.659 175.726 174.990 0.129 0.000 1.217 339 C CA -0.414 58.792 59.018 0.314 0.000 1.687 339 C CB 1.503 29.330 27.740 0.146 0.000 2.270 339 C HN 0.976 nan 8.230 nan 0.000 0.499 340 G N 0.608 109.592 108.800 0.307 0.000 2.684 340 G HA2 0.607 4.567 3.960 -0.000 0.000 0.290 340 G HA3 0.607 4.567 3.960 -0.000 0.000 0.290 340 G C -1.534 173.521 174.900 0.257 0.000 1.425 340 G CA -0.654 44.459 45.100 0.023 0.000 0.822 340 G HN 0.742 nan 8.290 nan 0.000 0.482 341 W N -0.609 120.837 121.300 0.244 0.000 2.079 341 W HA 0.435 5.095 4.660 -0.000 0.000 0.354 341 W C 0.841 177.603 176.519 0.405 0.000 1.302 341 W CA -0.497 57.024 57.345 0.293 0.000 1.281 341 W CB 0.543 30.143 29.460 0.232 0.000 1.165 341 W HN 0.410 nan 8.180 nan 0.000 0.603 342 L N 2.722 124.356 121.223 0.686 0.000 2.485 342 L HA 0.027 4.367 4.340 -0.000 0.000 0.275 342 L C -0.149 177.001 176.870 0.467 0.000 1.207 342 L CA 0.825 55.968 54.840 0.504 0.000 0.855 342 L CB 0.109 42.433 42.059 0.442 0.000 1.114 342 L HN 0.293 nan 8.230 nan 0.000 0.485 343 D N 4.242 124.873 120.400 0.385 0.000 2.469 343 D HA 0.156 4.796 4.640 -0.000 0.000 0.251 343 D C 0.707 177.135 176.300 0.214 0.000 1.173 343 D CA -0.308 53.902 54.000 0.350 0.000 0.882 343 D CB 0.935 42.014 40.800 0.465 0.000 1.129 343 D HN 0.642 nan 8.370 nan 0.000 0.549 344 L N 2.729 124.050 121.223 0.163 0.000 2.362 344 L HA -0.105 4.235 4.340 -0.000 0.000 0.219 344 L C 2.312 179.215 176.870 0.054 0.000 1.134 344 L CA 0.469 55.370 54.840 0.103 0.000 0.807 344 L CB -0.179 41.942 42.059 0.104 0.000 0.927 344 L HN 0.450 nan 8.230 nan 0.000 0.447 345 M N 0.131 119.732 119.600 0.001 0.000 2.067 345 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 345 M C 2.488 178.822 176.300 0.056 0.000 1.069 345 M CA 1.969 57.229 55.300 -0.066 0.000 1.117 345 M CB -0.826 31.470 32.600 -0.508 0.000 1.334 345 M HN 0.324 nan 8.290 nan 0.000 0.407 346 I N -2.440 118.158 120.570 0.047 0.000 2.394 346 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 346 I C 2.146 178.198 176.117 -0.108 0.000 1.136 346 I CA 1.163 62.333 61.300 -0.216 0.000 1.425 346 I CB -0.709 37.095 38.000 -0.327 0.000 1.079 346 I HN 0.141 nan 8.210 nan 0.000 0.425 347 L N 0.761 121.981 121.223 -0.006 0.000 2.017 347 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 347 L C 3.009 179.932 176.870 0.088 0.000 1.073 347 L CA 1.523 56.392 54.840 0.048 0.000 0.745 347 L CB -0.590 41.506 42.059 0.061 0.000 0.894 347 L HN 0.196 nan 8.230 nan 0.000 0.432 348 R N -1.213 119.333 120.500 0.076 0.000 2.092 348 R HA -0.202 4.138 4.340 -0.000 0.000 0.231 348 R C 2.305 178.645 176.300 0.068 0.000 1.119 348 R CA 1.453 57.609 56.100 0.093 0.000 0.970 348 R CB -0.363 29.985 30.300 0.080 0.000 0.864 348 R HN 0.286 nan 8.270 nan 0.000 0.440 349 Y N 1.044 121.288 120.300 -0.094 0.000 2.181 349 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 349 Y C 2.146 177.917 175.900 -0.216 0.000 1.146 349 Y CA 1.187 59.185 58.100 -0.170 0.000 1.164 349 Y CB -0.429 37.809 38.460 -0.370 0.000 0.982 349 Y HN 0.023 nan 8.280 nan 0.000 0.515 350 A N -0.502 122.143 122.820 -0.291 0.000 1.902 350 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 350 A C 2.098 179.415 177.584 -0.444 0.000 1.181 350 A CA 2.033 53.871 52.037 -0.332 0.000 0.623 350 A CB -1.358 17.640 19.000 -0.003 0.000 0.818 350 A HN 0.707 nan 8.150 nan 0.000 0.443 351 H N -0.482 118.383 119.070 -0.342 0.000 2.387 351 H HA -0.019 4.537 4.556 -0.000 0.000 0.299 351 H C 1.893 176.939 175.328 -0.470 0.000 1.090 351 H CA 2.091 57.858 56.048 -0.467 0.000 1.332 351 H CB -0.327 29.384 29.762 -0.085 0.000 1.386 351 H HN 0.444 nan 8.280 nan 0.000 0.516 352 M N -0.910 118.410 119.600 -0.466 0.000 2.202 352 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 352 M C 1.975 177.919 176.300 -0.592 0.000 1.063 352 M CA 1.406 56.414 55.300 -0.486 0.000 1.097 352 M CB 0.165 32.557 32.600 -0.347 0.000 1.382 352 M HN 0.187 nan 8.290 nan 0.000 0.413 353 V N -0.502 118.978 119.914 -0.723 0.000 2.575 353 V HA -0.078 4.042 4.120 -0.000 0.000 0.242 353 V C 1.710 177.423 176.094 -0.635 0.000 1.045 353 V CA 1.200 63.034 62.300 -0.776 0.000 1.065 353 V CB -0.577 30.612 31.823 -1.057 0.000 0.717 353 V HN 0.429 nan 8.190 nan 0.000 0.467 354 N N 0.496 118.767 118.700 -0.715 0.000 2.409 354 N HA 0.073 4.813 4.740 -0.000 0.000 0.174 354 N C 1.464 176.607 175.510 -0.611 0.000 1.037 354 N CA 1.060 53.716 53.050 -0.656 0.000 0.898 354 N CB 0.292 38.264 38.487 -0.860 0.000 1.010 354 N HN 0.543 nan 8.380 nan 0.000 0.445 355 G N 1.805 110.152 108.800 -0.755 0.000 2.370 355 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.295 355 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.295 355 G C -0.252 174.538 174.900 -0.184 0.000 1.045 355 G CA -0.249 44.514 45.100 -0.562 0.000 1.199 355 G HN 0.280 nan 8.290 nan 0.000 0.513 356 F N -0.064 120.011 119.950 0.208 0.000 2.563 356 F HA 0.279 4.806 4.527 0.000 0.000 0.363 356 F C 2.136 178.051 175.800 0.191 0.000 1.123 356 F CA 0.448 58.570 58.000 0.203 0.000 1.307 356 F CB 0.829 39.954 39.000 0.207 0.000 1.115 356 F HN 0.283 nan 8.300 nan 0.000 0.592 357 T N -0.432 114.300 114.554 0.295 0.000 3.037 357 T HA 0.577 4.927 4.350 -0.000 0.000 0.251 357 T C 0.283 175.129 174.700 0.244 0.000 1.079 357 T CA 0.335 62.547 62.100 0.187 0.000 1.067 357 T CB 0.203 69.105 68.868 0.057 0.000 0.948 357 T HN 0.735 nan 8.240 nan 0.000 0.496 358 A N 0.288 123.307 122.820 0.332 0.000 2.586 358 A HA 0.706 5.026 4.320 -0.000 0.000 0.291 358 A C -1.939 175.774 177.584 0.215 0.000 1.062 358 A CA -1.096 51.124 52.037 0.305 0.000 0.666 358 A CB 0.672 19.915 19.000 0.405 0.000 1.281 358 A HN 0.311 nan 8.150 nan 0.000 0.421 359 L N -0.112 121.147 121.223 0.060 0.000 2.323 359 L HA 0.867 5.207 4.340 -0.000 0.000 0.265 359 L C 0.182 177.057 176.870 0.009 0.000 1.012 359 L CA -0.921 53.894 54.840 -0.041 0.000 0.820 359 L CB 2.255 44.254 42.059 -0.100 0.000 1.334 359 L HN 0.968 nan 8.230 nan 0.000 0.427 360 A N 2.257 125.075 122.820 -0.003 0.000 2.310 360 A HA 0.642 4.962 4.320 -0.000 0.000 0.304 360 A C -1.198 176.385 177.584 -0.002 0.000 1.231 360 A CA -0.378 51.695 52.037 0.060 0.000 0.799 360 A CB 0.947 19.941 19.000 -0.010 0.000 1.162 360 A HN 0.483 nan 8.150 nan 0.000 0.486 361 L N 3.962 125.206 121.223 0.035 0.000 2.255 361 L HA 0.563 4.903 4.340 -0.000 0.000 0.289 361 L C 0.685 177.587 176.870 0.054 0.000 1.046 361 L CA 0.476 55.340 54.840 0.039 0.000 0.816 361 L CB 0.847 42.947 42.059 0.068 0.000 1.197 361 L HN 0.757 nan 8.230 nan 0.000 0.427 362 T N 0.873 115.442 114.554 0.024 0.000 2.943 362 T HA 0.468 4.818 4.350 -0.000 0.000 0.284 362 T C 0.179 174.916 174.700 0.061 0.000 1.015 362 T CA -0.749 61.362 62.100 0.018 0.000 1.042 362 T CB 1.129 69.972 68.868 -0.041 0.000 1.055 362 T HN 0.585 nan 8.240 nan 0.000 0.500 363 K N 0.173 120.618 120.400 0.075 0.000 3.071 363 K HA -0.156 4.164 4.320 -0.000 0.000 0.265 363 K C 0.618 177.362 176.600 0.240 0.000 1.060 363 K CA 0.405 56.777 56.287 0.143 0.000 0.767 363 K CB -1.583 31.017 32.500 0.167 0.000 1.241 363 K HN 0.553 nan 8.250 nan 0.000 0.486 364 L N 1.473 122.825 121.223 0.214 0.000 2.083 364 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 364 L C 1.975 179.046 176.870 0.334 0.000 1.083 364 L CA 2.633 57.644 54.840 0.286 0.000 0.752 364 L CB -0.283 41.883 42.059 0.178 0.000 0.899 364 L HN 0.416 nan 8.230 nan 0.000 0.433 365 D N -1.035 119.500 120.400 0.226 0.000 2.190 365 D HA -0.280 4.360 4.640 -0.000 0.000 0.200 365 D C 1.966 178.356 176.300 0.150 0.000 0.992 365 D CA 1.378 55.500 54.000 0.204 0.000 0.854 365 D CB -0.521 40.346 40.800 0.111 0.000 0.936 365 D HN 0.312 nan 8.370 nan 0.000 0.462 366 I N 0.371 121.019 120.570 0.129 0.000 2.423 366 I HA -0.174 3.996 4.170 -0.000 0.000 0.254 366 I C 1.985 178.075 176.117 -0.045 0.000 1.151 366 I CA 1.024 62.336 61.300 0.020 0.000 1.421 366 I CB -0.339 37.687 38.000 0.043 0.000 1.079 366 I HN 0.223 nan 8.210 nan 0.000 0.431 367 L N -0.536 120.714 121.223 0.044 0.000 2.591 367 L HA 0.003 4.343 4.340 -0.000 0.000 0.228 367 L C 1.621 178.235 176.870 -0.427 0.000 1.133 367 L CA 0.003 54.751 54.840 -0.153 0.000 0.880 367 L CB -0.604 41.389 42.059 -0.110 0.000 1.033 367 L HN 0.139 nan 8.230 nan 0.000 0.450 368 D N 0.974 121.276 120.400 -0.163 0.000 2.170 368 D HA -0.208 4.432 4.640 -0.000 0.000 0.193 368 D C 2.227 178.277 176.300 -0.417 0.000 1.004 368 D CA 1.913 55.760 54.000 -0.256 0.000 0.860 368 D CB -0.120 40.706 40.800 0.044 0.000 0.931 368 D HN 0.353 nan 8.370 nan 0.000 0.448 369 V N -1.214 118.534 119.914 -0.277 0.000 3.129 369 V HA 0.064 4.184 4.120 -0.000 0.000 0.259 369 V C 1.021 176.965 176.094 -0.251 0.000 1.116 369 V CA 0.164 62.328 62.300 -0.227 0.000 1.127 369 V CB -0.649 31.087 31.823 -0.145 0.000 0.742 369 V HN 0.001 nan 8.190 nan 0.000 0.474 370 L N 0.866 121.898 121.223 -0.317 0.000 2.397 370 L HA 0.269 4.609 4.340 -0.000 0.000 0.271 370 L C 1.683 178.388 176.870 -0.274 0.000 1.148 370 L CA 0.136 54.828 54.840 -0.247 0.000 0.825 370 L CB 1.042 42.984 42.059 -0.195 0.000 1.117 370 L HN 0.112 nan 8.230 nan 0.000 0.456 371 S N 0.652 116.248 115.700 -0.173 0.000 2.371 371 S HA -0.041 4.429 4.470 -0.000 0.000 0.221 371 S C 0.352 174.858 174.600 -0.157 0.000 1.036 371 S CA 0.674 58.781 58.200 -0.154 0.000 0.965 371 S CB 0.067 63.207 63.200 -0.100 0.000 0.845 371 S HN 0.789 nan 8.310 nan 0.000 0.475 372 E N 0.134 120.254 120.200 -0.133 0.000 2.288 372 E HA 0.614 4.964 4.350 -0.000 0.000 0.268 372 E C -1.391 175.100 176.600 -0.181 0.000 0.885 372 E CA -0.722 55.585 56.400 -0.155 0.000 0.767 372 E CB 1.564 31.181 29.700 -0.138 0.000 1.220 372 E HN 0.148 nan 8.360 nan 0.000 0.427 373 I N 1.996 122.401 120.570 -0.275 0.000 2.418 373 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 373 I C -0.230 175.489 176.117 -0.663 0.000 1.008 373 I CA -0.994 60.082 61.300 -0.374 0.000 1.104 373 I CB 1.690 39.547 38.000 -0.239 0.000 1.264 373 I HN 0.351 nan 8.210 nan 0.000 0.438 374 K N 4.877 124.361 120.400 -1.527 0.000 2.110 374 K HA 0.723 5.043 4.320 -0.000 0.000 0.263 374 K C -0.905 175.323 176.600 -0.620 0.000 0.975 374 K CA -0.719 54.833 56.287 -1.226 0.000 0.895 374 K CB 2.818 34.196 32.500 -1.869 0.000 1.060 374 K HN 0.437 nan 8.250 nan 0.000 0.448 375 V N -0.449 119.386 119.914 -0.132 0.000 2.733 375 V HA 0.580 4.700 4.120 -0.000 0.000 0.306 375 V C -0.487 175.778 176.094 0.286 0.000 1.084 375 V CA -0.553 61.855 62.300 0.180 0.000 0.905 375 V CB 1.712 33.614 31.823 0.133 0.000 1.010 375 V HN 0.819 nan 8.190 nan 0.000 0.424 376 G N 4.731 113.732 108.800 0.334 0.000 2.358 376 G HA2 0.453 4.413 3.960 -0.000 0.000 0.273 376 G HA3 0.453 4.413 3.960 -0.000 0.000 0.273 376 G C 0.593 175.551 174.900 0.098 0.000 1.215 376 G CA 0.136 45.302 45.100 0.111 0.000 0.910 376 G HN 1.541 nan 8.290 nan 0.000 0.467 377 I N 0.385 120.982 120.570 0.046 0.000 3.708 377 I HA 0.342 4.512 4.170 -0.000 0.000 0.302 377 I C 0.742 176.852 176.117 -0.012 0.000 1.255 377 I CA 0.193 61.537 61.300 0.073 0.000 1.362 377 I CB 0.240 38.324 38.000 0.139 0.000 1.100 377 I HN 0.487 nan 8.210 nan 0.000 0.434 378 S N -0.980 114.677 115.700 -0.072 0.000 2.636 378 S HA 0.537 5.007 4.470 -0.000 0.000 0.266 378 S C -1.580 173.002 174.600 -0.031 0.000 1.147 378 S CA -0.777 57.340 58.200 -0.138 0.000 0.815 378 S CB 1.248 64.423 63.200 -0.042 0.000 1.119 378 S HN 0.135 nan 8.310 nan 0.000 0.470 379 Y N 0.572 120.869 120.300 -0.005 0.000 2.409 379 Y HA 0.694 5.244 4.550 -0.000 0.000 0.339 379 Y C 0.197 176.073 175.900 -0.040 0.000 1.033 379 Y CA -1.390 56.691 58.100 -0.031 0.000 1.094 379 Y CB 1.638 40.076 38.460 -0.036 0.000 1.210 379 Y HN 0.667 nan 8.280 nan 0.000 0.456 380 K N 2.954 123.431 120.400 0.128 0.000 2.450 380 K HA 0.478 4.798 4.320 -0.000 0.000 0.257 380 K C -1.654 174.956 176.600 0.017 0.000 0.953 380 K CA -0.870 55.447 56.287 0.051 0.000 0.844 380 K CB 1.828 34.349 32.500 0.035 0.000 1.103 380 K HN 0.411 nan 8.250 nan 0.000 0.429 381 L N 4.620 125.844 121.223 0.001 0.000 2.294 381 L HA 0.369 4.709 4.340 -0.000 0.000 0.283 381 L C -0.610 176.252 176.870 -0.012 0.000 1.015 381 L CA 0.172 55.001 54.840 -0.017 0.000 0.831 381 L CB 0.436 42.477 42.059 -0.032 0.000 1.217 381 L HN 0.664 nan 8.230 nan 0.000 0.420 382 N N 4.493 123.189 118.700 -0.008 0.000 2.699 382 N HA -0.193 4.547 4.740 -0.000 0.000 0.257 382 N C 1.044 176.554 175.510 0.000 0.000 1.077 382 N CA 0.952 53.999 53.050 -0.004 0.000 0.702 382 N CB -0.841 37.642 38.487 -0.006 0.000 0.886 382 N HN 1.201 nan 8.380 nan 0.000 0.549 383 G N -0.980 107.823 108.800 0.005 0.000 2.343 383 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.264 383 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.264 383 G C 0.343 175.248 174.900 0.008 0.000 0.989 383 G CA 1.586 46.691 45.100 0.009 0.000 0.627 383 G HN 0.488 nan 8.290 nan 0.000 0.549 384 K N 0.240 120.641 120.400 0.002 0.000 2.159 384 K HA 0.560 4.880 4.320 -0.000 0.000 0.266 384 K C 0.523 177.122 176.600 -0.002 0.000 0.975 384 K CA -0.807 55.480 56.287 -0.001 0.000 0.865 384 K CB 1.083 33.578 32.500 -0.008 0.000 1.087 384 K HN 0.318 nan 8.250 nan 0.000 0.446 385 R N 4.623 125.123 120.500 0.001 0.000 2.404 385 R HA 0.099 4.439 4.340 -0.000 0.000 0.315 385 R C 0.137 176.423 176.300 -0.024 0.000 1.032 385 R CA -0.215 55.886 56.100 0.002 0.000 0.992 385 R CB -0.149 30.154 30.300 0.005 0.000 0.959 385 R HN 0.774 nan 8.270 nan 0.000 0.428 386 I N 4.183 124.738 120.570 -0.025 0.000 2.634 386 I HA 0.210 4.380 4.170 -0.000 0.000 0.284 386 I C -1.569 174.474 176.117 -0.124 0.000 1.124 386 I CA -1.668 59.573 61.300 -0.098 0.000 1.417 386 I CB 1.166 39.119 38.000 -0.079 0.000 1.396 386 I HN 0.597 nan 8.210 nan 0.000 0.571 387 P HA 0.002 nan 4.420 nan 0.000 0.221 387 P C -0.447 176.844 177.300 -0.016 0.000 1.155 387 P CA 1.297 64.306 63.100 -0.153 0.000 0.812 387 P CB 0.002 31.598 31.700 -0.174 0.000 0.801 388 Y N -4.251 116.087 120.300 0.064 0.000 2.689 388 Y HA 0.571 5.121 4.550 -0.000 0.000 0.333 388 Y C -0.605 175.362 175.900 0.111 0.000 1.190 388 Y CA -2.123 56.037 58.100 0.100 0.000 1.063 388 Y CB -0.062 38.466 38.460 0.114 0.000 1.294 388 Y HN -0.331 nan 8.280 nan 0.000 0.466 389 F N 5.523 125.611 119.950 0.231 0.000 2.557 389 F HA 0.301 4.828 4.527 -0.000 0.000 0.384 389 F C -1.940 173.920 175.800 0.101 0.000 1.057 389 F CA -2.290 55.736 58.000 0.043 0.000 1.169 389 F CB 0.491 39.267 39.000 -0.372 0.000 1.070 389 F HN 0.259 nan 8.300 nan 0.000 0.554 390 P HA 0.055 nan 4.420 nan 0.000 0.267 390 P C -0.245 177.032 177.300 -0.038 0.000 1.205 390 P CA 0.092 63.144 63.100 -0.081 0.000 0.765 390 P CB 1.319 32.922 31.700 -0.162 0.000 0.828 391 A N 4.236 127.119 122.820 0.105 0.000 1.873 391 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 391 A C 1.263 178.925 177.584 0.130 0.000 1.186 391 A CA 1.165 53.287 52.037 0.141 0.000 0.616 391 A CB -1.202 17.881 19.000 0.138 0.000 0.823 391 A HN 0.696 nan 8.150 nan 0.000 0.442 392 N N 0.384 119.141 118.700 0.096 0.000 2.431 392 N HA 0.021 4.761 4.740 -0.000 0.000 0.265 392 N C 0.904 176.468 175.510 0.089 0.000 1.184 392 N CA 0.077 53.188 53.050 0.102 0.000 0.943 392 N CB 0.503 39.035 38.487 0.075 0.000 1.080 392 N HN 0.352 nan 8.380 nan 0.000 0.477 393 Q N 2.651 122.545 119.800 0.157 0.000 2.170 393 Q HA -0.189 4.151 4.340 -0.000 0.000 0.203 393 Q C 0.444 176.500 176.000 0.094 0.000 0.976 393 Q CA 1.440 57.343 55.803 0.166 0.000 0.858 393 Q CB 0.167 29.089 28.738 0.306 0.000 0.907 393 Q HN 0.694 nan 8.270 nan 0.000 0.433 394 E N 0.562 120.819 120.200 0.094 0.000 2.160 394 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 394 E C 2.132 178.735 176.600 0.005 0.000 0.991 394 E CA 0.769 57.200 56.400 0.052 0.000 0.810 394 E CB -0.301 29.437 29.700 0.062 0.000 0.742 394 E HN 0.488 nan 8.360 nan 0.000 0.466 395 I N 0.396 120.962 120.570 -0.006 0.000 2.252 395 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 395 I C 2.315 178.376 176.117 -0.093 0.000 1.102 395 I CA 0.464 61.739 61.300 -0.043 0.000 1.385 395 I CB -0.171 37.802 38.000 -0.045 0.000 1.064 395 I HN 0.086 nan 8.210 nan 0.000 0.414 396 L N 0.547 121.700 121.223 -0.117 0.000 2.261 396 L HA -0.217 4.123 4.340 -0.000 0.000 0.216 396 L C 2.287 179.066 176.870 -0.151 0.000 1.114 396 L CA 1.771 56.494 54.840 -0.195 0.000 0.777 396 L CB -0.650 41.317 42.059 -0.153 0.000 0.910 396 L HN 0.269 nan 8.230 nan 0.000 0.440 397 Q N -0.711 119.039 119.800 -0.084 0.000 2.444 397 Q HA -0.065 4.275 4.340 -0.000 0.000 0.206 397 Q C 1.195 177.153 176.000 -0.070 0.000 0.948 397 Q CA 0.606 56.368 55.803 -0.069 0.000 0.946 397 Q CB 0.253 28.960 28.738 -0.051 0.000 1.027 397 Q HN 0.580 nan 8.270 nan 0.000 0.513 398 K N 0.144 120.494 120.400 -0.083 0.000 2.402 398 K HA 0.119 4.439 4.320 -0.000 0.000 0.204 398 K C 0.557 177.108 176.600 -0.081 0.000 1.056 398 K CA -0.027 56.221 56.287 -0.066 0.000 1.069 398 K CB 1.257 33.729 32.500 -0.047 0.000 0.888 398 K HN -0.026 nan 8.250 nan 0.000 0.546 399 V N 0.087 119.917 119.914 -0.141 0.000 2.775 399 V HA 0.211 4.331 4.120 -0.000 0.000 0.299 399 V C -0.074 175.957 176.094 -0.106 0.000 1.062 399 V CA -0.659 61.550 62.300 -0.151 0.000 1.063 399 V CB 1.322 32.955 31.823 -0.316 0.000 0.994 399 V HN 0.165 nan 8.190 nan 0.000 0.483 400 E N 2.863 123.038 120.200 -0.043 0.000 2.249 400 E HA 0.511 4.861 4.350 -0.000 0.000 0.280 400 E C -1.136 175.465 176.600 0.002 0.000 1.016 400 E CA -0.792 55.606 56.400 -0.004 0.000 0.830 400 E CB 1.913 31.623 29.700 0.017 0.000 1.081 400 E HN 0.741 nan 8.360 nan 0.000 0.395 401 V N 4.256 124.156 119.914 -0.023 0.000 2.465 401 V HA 0.130 4.250 4.120 -0.000 0.000 0.279 401 V C 0.128 176.046 176.094 -0.294 0.000 1.045 401 V CA -0.325 61.881 62.300 -0.156 0.000 0.938 401 V CB 1.255 32.827 31.823 -0.418 0.000 0.986 401 V HN 0.733 nan 8.190 nan 0.000 0.467 402 E N 3.991 124.069 120.200 -0.203 0.000 2.130 402 E HA 0.355 4.705 4.350 -0.000 0.000 0.284 402 E C -1.433 175.033 176.600 -0.224 0.000 1.018 402 E CA -0.405 55.921 56.400 -0.124 0.000 0.817 402 E CB 0.588 30.278 29.700 -0.016 0.000 1.078 402 E HN 0.612 nan 8.360 nan 0.000 0.396 403 Y N 2.215 122.544 120.300 0.049 0.000 2.519 403 Y HA 0.347 4.897 4.550 0.000 0.000 0.324 403 Y C 0.115 175.999 175.900 -0.026 0.000 1.214 403 Y CA -0.825 57.272 58.100 -0.005 0.000 1.260 403 Y CB 1.417 39.824 38.460 -0.088 0.000 1.311 403 Y HN 0.525 nan 8.280 nan 0.000 0.505 404 E N -0.096 120.174 120.200 0.116 0.000 2.246 404 E HA 0.412 4.762 4.350 -0.000 0.000 0.266 404 E C -1.651 174.874 176.600 -0.126 0.000 0.880 404 E CA -0.658 55.749 56.400 0.011 0.000 0.762 404 E CB 1.166 30.886 29.700 0.033 0.000 1.180 404 E HN 0.588 nan 8.360 nan 0.000 0.416 405 T N 4.809 119.283 114.554 -0.133 0.000 2.767 405 T HA 0.411 4.761 4.350 -0.000 0.000 0.288 405 T C -0.150 174.437 174.700 -0.188 0.000 0.963 405 T CA -0.439 61.535 62.100 -0.211 0.000 1.019 405 T CB 0.268 69.032 68.868 -0.173 0.000 0.923 405 T HN 0.356 nan 8.240 nan 0.000 0.468 406 L N 5.102 126.193 121.223 -0.220 0.000 2.330 406 L HA 0.538 4.878 4.340 -0.000 0.000 0.271 406 L C -2.030 174.781 176.870 -0.099 0.000 1.013 406 L CA -2.743 52.009 54.840 -0.146 0.000 0.816 406 L CB 2.015 43.992 42.059 -0.136 0.000 1.287 406 L HN 0.369 nan 8.230 nan 0.000 0.435 407 P HA 0.108 nan 4.420 nan 0.000 0.276 407 P C -0.352 176.946 177.300 -0.003 0.000 1.235 407 P CA -0.126 62.961 63.100 -0.023 0.000 0.772 407 P CB 1.103 32.813 31.700 0.017 0.000 0.871 408 G N 2.029 110.762 108.800 -0.111 0.000 2.476 408 G HA2 0.248 4.208 3.960 -0.000 0.000 0.269 408 G HA3 0.248 4.208 3.960 -0.000 0.000 0.269 408 G C 0.326 175.164 174.900 -0.104 0.000 1.195 408 G CA -0.917 44.014 45.100 -0.282 0.000 0.843 408 G HN 0.683 nan 8.290 nan 0.000 0.545 409 W N -0.579 120.676 121.300 -0.075 0.000 3.139 409 W HA 0.300 4.960 4.660 -0.000 0.000 0.260 409 W C 0.826 177.314 176.519 -0.051 0.000 1.312 409 W CA -0.762 56.547 57.345 -0.059 0.000 1.606 409 W CB -0.135 29.288 29.460 -0.061 0.000 1.118 409 W HN 0.449 nan 8.180 nan 0.000 0.675 410 K N 1.187 121.385 120.400 -0.338 0.000 3.834 410 K HA -0.038 4.282 4.320 -0.000 0.000 0.276 410 K C -0.023 176.534 176.600 -0.071 0.000 0.850 410 K CA 0.709 56.858 56.287 -0.229 0.000 0.704 410 K CB -1.820 30.599 32.500 -0.136 0.000 1.644 410 K HN 0.469 nan 8.250 nan 0.000 0.440 411 A N 0.666 123.482 122.820 -0.006 0.000 2.586 411 A HA 0.465 4.785 4.320 -0.000 0.000 0.290 411 A C -1.686 176.001 177.584 0.171 0.000 1.086 411 A CA -0.916 51.189 52.037 0.113 0.000 0.665 411 A CB 1.478 20.581 19.000 0.172 0.000 1.279 411 A HN 0.226 nan 8.150 nan 0.000 0.423 412 D N 0.262 120.732 120.400 0.117 0.000 2.225 412 D HA 0.501 5.141 4.640 -0.000 0.000 0.248 412 D C 1.179 177.547 176.300 0.113 0.000 1.096 412 D CA 0.866 54.930 54.000 0.108 0.000 0.863 412 D CB 1.235 42.069 40.800 0.056 0.000 1.156 412 D HN 0.573 nan 8.370 nan 0.000 0.450 413 T N -1.604 113.025 114.554 0.125 0.000 3.003 413 T HA -0.018 4.332 4.350 -0.000 0.000 0.261 413 T C 1.707 176.432 174.700 0.042 0.000 1.003 413 T CA 0.428 62.566 62.100 0.064 0.000 0.917 413 T CB -0.332 68.565 68.868 0.049 0.000 1.084 413 T HN 0.403 nan 8.240 nan 0.000 0.522 414 T N -0.233 114.352 114.554 0.052 0.000 2.848 414 T HA -0.026 4.324 4.350 -0.000 0.000 0.269 414 T C 2.003 176.719 174.700 0.027 0.000 1.081 414 T CA 1.406 63.529 62.100 0.037 0.000 1.125 414 T CB -0.945 67.943 68.868 0.034 0.000 0.848 414 T HN 0.494 nan 8.240 nan 0.000 0.503 415 G N 0.535 109.348 108.800 0.023 0.000 2.986 415 G HA2 0.527 4.487 3.960 -0.000 0.000 0.213 415 G HA3 0.527 4.487 3.960 -0.000 0.000 0.213 415 G C 0.573 175.480 174.900 0.011 0.000 1.156 415 G CA 0.026 45.136 45.100 0.017 0.000 0.763 415 G HN 0.853 nan 8.290 nan 0.000 0.547 416 A N 0.431 123.254 122.820 0.005 0.000 2.483 416 A HA 0.599 4.919 4.320 -0.000 0.000 0.238 416 A C 1.056 178.649 177.584 0.015 0.000 1.070 416 A CA 0.045 52.080 52.037 -0.004 0.000 0.770 416 A CB 0.386 19.368 19.000 -0.030 0.000 1.008 416 A HN 0.209 nan 8.150 nan 0.000 0.497 417 R N 0.310 120.823 120.500 0.022 0.000 2.527 417 R HA 0.146 4.486 4.340 -0.000 0.000 0.402 417 R C -0.724 175.607 176.300 0.052 0.000 0.933 417 R CA 0.250 56.372 56.100 0.037 0.000 1.171 417 R CB 0.112 30.431 30.300 0.031 0.000 1.612 417 R HN 0.923 nan 8.270 nan 0.000 0.546 418 K N -1.840 118.594 120.400 0.057 0.000 2.587 418 K HA 0.136 4.456 4.320 -0.000 0.000 0.276 418 K C 0.251 176.929 176.600 0.130 0.000 0.956 418 K CA -0.931 55.412 56.287 0.094 0.000 0.857 418 K CB 0.573 33.119 32.500 0.075 0.000 1.431 418 K HN -0.111 nan 8.250 nan 0.000 0.420 419 W N 2.098 123.384 121.300 -0.024 0.000 2.313 419 W HA -0.253 4.407 4.660 0.000 0.000 0.293 419 W C 0.385 176.886 176.519 -0.031 0.000 1.216 419 W CA 2.459 59.786 57.345 -0.030 0.000 1.223 419 W CB 0.224 29.670 29.460 -0.024 0.000 1.138 419 W HN 0.877 nan 8.180 nan 0.000 0.535 420 E N 0.414 120.606 120.200 -0.015 0.000 2.152 420 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 420 E C 1.632 178.131 176.600 -0.168 0.000 0.983 420 E CA 1.628 57.951 56.400 -0.128 0.000 0.818 420 E CB -0.630 29.061 29.700 -0.014 0.000 0.758 420 E HN 0.210 nan 8.360 nan 0.000 0.467 421 D N 0.291 120.622 120.400 -0.115 0.000 2.144 421 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 421 D C 0.474 176.673 176.300 -0.169 0.000 0.984 421 D CA 0.529 54.466 54.000 -0.105 0.000 0.834 421 D CB -0.139 40.628 40.800 -0.055 0.000 0.955 421 D HN 0.202 nan 8.370 nan 0.000 0.465 422 L N 3.264 124.330 121.223 -0.262 0.000 2.499 422 L HA 0.092 4.432 4.340 -0.000 0.000 0.273 422 L C -1.751 174.901 176.870 -0.363 0.000 1.195 422 L CA -1.270 53.361 54.840 -0.349 0.000 0.882 422 L CB -0.020 41.752 42.059 -0.478 0.000 1.133 422 L HN -0.074 nan 8.230 nan 0.000 0.483 423 P HA 0.152 nan 4.420 nan 0.000 0.273 423 P C -2.335 174.831 177.300 -0.224 0.000 1.250 423 P CA -1.391 61.601 63.100 -0.181 0.000 0.793 423 P CB 0.263 31.939 31.700 -0.040 0.000 1.011 424 P HA -0.239 nan 4.420 nan 0.000 0.206 424 P C 1.708 178.976 177.300 -0.053 0.000 1.142 424 P CA 1.934 64.982 63.100 -0.087 0.000 0.946 424 P CB -0.402 31.289 31.700 -0.016 0.000 0.777 425 Q N -0.920 118.919 119.800 0.065 0.000 2.268 425 Q HA -0.197 4.143 4.340 -0.000 0.000 0.210 425 Q C 2.113 178.173 176.000 0.100 0.000 0.988 425 Q CA 2.161 58.072 55.803 0.181 0.000 0.883 425 Q CB -1.260 27.683 28.738 0.341 0.000 0.911 425 Q HN 0.271 nan 8.270 nan 0.000 0.430 426 A N 0.466 123.110 122.820 -0.294 0.000 1.855 426 A HA -0.249 4.071 4.320 -0.000 0.000 0.215 426 A C 2.011 179.348 177.584 -0.413 0.000 1.191 426 A CA 1.494 52.955 52.037 -0.960 0.000 0.613 426 A CB -0.495 17.739 19.000 -1.276 0.000 0.829 426 A HN 0.400 nan 8.150 nan 0.000 0.442 427 Q N -0.281 119.293 119.800 -0.377 0.000 2.096 427 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 427 Q C 2.413 178.470 176.000 0.095 0.000 0.982 427 Q CA 1.721 57.346 55.803 -0.297 0.000 0.850 427 Q CB -0.254 28.133 28.738 -0.585 0.000 0.901 427 Q HN 0.613 nan 8.270 nan 0.000 0.422 428 S N -0.108 115.644 115.700 0.088 0.000 2.399 428 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 428 S C 1.529 176.290 174.600 0.267 0.000 1.022 428 S CA 0.870 59.184 58.200 0.190 0.000 0.983 428 S CB -0.270 63.031 63.200 0.168 0.000 0.803 428 S HN 0.406 nan 8.310 nan 0.000 0.480 429 Y N 2.056 122.418 120.300 0.102 0.000 2.200 429 Y HA -0.087 4.463 4.550 0.000 0.000 0.290 429 Y C 2.194 178.209 175.900 0.192 0.000 1.137 429 Y CA 0.802 58.989 58.100 0.146 0.000 1.163 429 Y CB -0.536 38.004 38.460 0.134 0.000 0.988 429 Y HN 0.020 nan 8.280 nan 0.000 0.518 430 V N 0.835 120.863 119.914 0.190 0.000 2.295 430 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 430 V C 2.427 178.601 176.094 0.135 0.000 1.049 430 V CA 2.231 64.625 62.300 0.155 0.000 1.024 430 V CB -0.566 31.445 31.823 0.313 0.000 0.648 430 V HN 0.336 nan 8.190 nan 0.000 0.447 431 R N -1.053 119.574 120.500 0.211 0.000 2.091 431 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 431 R C 2.261 178.641 176.300 0.134 0.000 1.136 431 R CA 1.952 58.148 56.100 0.159 0.000 0.959 431 R CB -0.654 29.765 30.300 0.198 0.000 0.856 431 R HN 0.496 nan 8.270 nan 0.000 0.437 432 F N 1.370 121.333 119.950 0.021 0.000 2.091 432 F HA -0.277 4.250 4.527 0.000 0.000 0.299 432 F C 2.255 178.036 175.800 -0.032 0.000 1.103 432 F CA 1.542 59.536 58.000 -0.010 0.000 1.228 432 F CB -0.294 38.634 39.000 -0.120 0.000 0.984 432 F HN -0.268 nan 8.300 nan 0.000 0.477 433 V N -0.001 119.928 119.914 0.026 0.000 2.295 433 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 433 V C 2.318 178.386 176.094 -0.043 0.000 1.049 433 V CA 2.302 64.578 62.300 -0.040 0.000 1.024 433 V CB -0.729 31.046 31.823 -0.080 0.000 0.648 433 V HN 0.362 nan 8.190 nan 0.000 0.447 434 E N 0.263 120.444 120.200 -0.031 0.000 2.038 434 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 434 E C 2.170 178.731 176.600 -0.066 0.000 1.000 434 E CA 1.753 58.124 56.400 -0.048 0.000 0.803 434 E CB -0.100 29.578 29.700 -0.038 0.000 0.750 434 E HN 0.604 nan 8.360 nan 0.000 0.448 435 N N -0.046 118.620 118.700 -0.056 0.000 2.058 435 N HA -0.155 4.585 4.740 -0.000 0.000 0.191 435 N C 1.689 177.096 175.510 -0.172 0.000 1.037 435 N CA 1.365 54.351 53.050 -0.106 0.000 0.848 435 N CB -0.695 37.731 38.487 -0.102 0.000 1.021 435 N HN 0.305 nan 8.380 nan 0.000 0.422 436 H N -0.222 118.660 119.070 -0.312 0.000 2.521 436 H HA 0.177 4.733 4.556 -0.000 0.000 0.286 436 H C 1.673 176.908 175.328 -0.154 0.000 1.034 436 H CA 0.763 56.648 56.048 -0.270 0.000 1.278 436 H CB 0.009 29.540 29.762 -0.385 0.000 1.386 436 H HN 0.214 nan 8.280 nan 0.000 0.567 437 M N -1.794 117.779 119.600 -0.046 0.000 2.514 437 M HA 0.183 4.663 4.480 -0.000 0.000 0.258 437 M C 1.183 177.400 176.300 -0.138 0.000 1.159 437 M CA 0.716 55.969 55.300 -0.078 0.000 1.116 437 M CB 0.900 33.442 32.600 -0.097 0.000 1.333 437 M HN 0.445 nan 8.290 nan 0.000 0.487 438 G N 1.605 110.331 108.800 -0.124 0.000 2.153 438 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.252 438 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.252 438 G C -0.189 174.632 174.900 -0.132 0.000 0.994 438 G CA 0.124 45.158 45.100 -0.110 0.000 0.698 438 G HN 0.356 nan 8.290 nan 0.000 0.521 439 V N -0.137 119.677 119.914 -0.166 0.000 2.588 439 V HA 0.833 4.953 4.120 -0.000 0.000 0.304 439 V C 0.672 176.726 176.094 -0.066 0.000 1.042 439 V CA -0.800 61.418 62.300 -0.136 0.000 0.877 439 V CB 1.650 33.337 31.823 -0.227 0.000 0.996 439 V HN 1.245 nan 8.190 nan 0.000 0.425 440 A N 3.893 126.702 122.820 -0.018 0.000 2.488 440 A HA 0.518 4.838 4.320 -0.000 0.000 0.249 440 A C -0.025 177.593 177.584 0.057 0.000 1.083 440 A CA -0.087 51.961 52.037 0.018 0.000 0.768 440 A CB 0.221 19.244 19.000 0.039 0.000 1.017 440 A HN 0.836 nan 8.150 nan 0.000 0.496 441 V N 3.890 123.807 119.914 0.006 0.000 2.408 441 V HA 0.140 4.260 4.120 -0.000 0.000 0.267 441 V C 1.262 177.281 176.094 -0.125 0.000 1.047 441 V CA 0.150 62.426 62.300 -0.040 0.000 0.937 441 V CB 0.853 32.656 31.823 -0.034 0.000 0.999 441 V HN 1.096 nan 8.190 nan 0.000 0.472 442 K N 3.858 124.057 120.400 -0.335 0.000 2.361 442 K HA 0.122 4.442 4.320 -0.000 0.000 0.194 442 K C -0.283 175.670 176.600 -1.077 0.000 1.032 442 K CA 0.220 55.903 56.287 -1.007 0.000 1.048 442 K CB 0.511 32.093 32.500 -1.529 0.000 0.842 442 K HN 0.620 nan 8.250 nan 0.000 0.526 443 W N 0.567 121.706 121.300 -0.268 0.000 3.259 443 W HA 0.317 4.977 4.660 -0.000 0.000 0.331 443 W C -1.481 174.976 176.519 -0.104 0.000 1.144 443 W CA -0.916 56.309 57.345 -0.199 0.000 1.227 443 W CB 1.655 30.970 29.460 -0.243 0.000 1.371 443 W HN -0.477 nan 8.180 nan 0.000 0.491 444 V N 2.502 122.524 119.914 0.180 0.000 2.326 444 V HA 0.434 4.554 4.120 -0.000 0.000 0.281 444 V C 0.608 176.766 176.094 0.106 0.000 1.015 444 V CA -0.588 61.790 62.300 0.131 0.000 0.823 444 V CB 1.165 33.069 31.823 0.135 0.000 1.009 444 V HN 0.606 nan 8.190 nan 0.000 0.436 445 G N 2.573 111.420 108.800 0.078 0.000 2.358 445 G HA2 0.396 4.356 3.960 -0.000 0.000 0.273 445 G HA3 0.396 4.356 3.960 -0.000 0.000 0.273 445 G C 0.269 175.203 174.900 0.056 0.000 1.215 445 G CA -0.037 45.088 45.100 0.042 0.000 0.910 445 G HN 0.644 nan 8.290 nan 0.000 0.467 446 V N 2.373 122.314 119.914 0.046 0.000 3.330 446 V HA 0.623 4.743 4.120 -0.000 0.000 0.309 446 V C 0.953 177.071 176.094 0.040 0.000 1.481 446 V CA 0.933 63.263 62.300 0.051 0.000 1.068 446 V CB -0.119 31.728 31.823 0.041 0.000 0.935 446 V HN 1.022 nan 8.190 nan 0.000 0.453 447 G N -0.247 108.568 108.800 0.024 0.000 2.634 447 G HA2 0.324 4.284 3.960 -0.000 0.000 0.309 447 G HA3 0.324 4.284 3.960 -0.000 0.000 0.309 447 G C -0.296 174.603 174.900 -0.002 0.000 1.299 447 G CA 0.250 45.357 45.100 0.012 0.000 0.798 447 G HN -0.012 nan 8.290 nan 0.000 0.490 448 K N -0.602 119.795 120.400 -0.004 0.000 2.367 448 K HA 0.250 4.570 4.320 -0.000 0.000 0.195 448 K C 1.118 177.715 176.600 -0.005 0.000 1.060 448 K CA 0.727 57.008 56.287 -0.010 0.000 1.022 448 K CB 0.151 32.647 32.500 -0.008 0.000 0.894 448 K HN 0.548 nan 8.250 nan 0.000 0.540 449 S N 0.077 115.778 115.700 0.002 0.000 2.617 449 S HA 0.154 4.624 4.470 -0.000 0.000 0.269 449 S C 0.920 175.520 174.600 -0.000 0.000 1.292 449 S CA -0.707 57.497 58.200 0.006 0.000 1.010 449 S CB 1.807 65.014 63.200 0.012 0.000 0.944 449 S HN 0.303 nan 8.310 nan 0.000 0.536 450 R N 1.281 121.784 120.500 0.005 0.000 2.133 450 R HA -0.231 4.109 4.340 -0.000 0.000 0.245 450 R C 2.112 178.406 176.300 -0.009 0.000 1.137 450 R CA 2.524 58.619 56.100 -0.008 0.000 0.947 450 R CB -1.090 29.215 30.300 0.008 0.000 0.865 450 R HN 0.936 nan 8.270 nan 0.000 0.437 451 E N -0.324 119.880 120.200 0.006 0.000 2.331 451 E HA -0.108 4.242 4.350 -0.000 0.000 0.199 451 E C 0.488 177.098 176.600 0.016 0.000 1.008 451 E CA 1.162 57.570 56.400 0.014 0.000 0.843 451 E CB -0.060 29.651 29.700 0.018 0.000 0.761 451 E HN 0.378 nan 8.360 nan 0.000 0.507 452 S N 0.572 116.278 115.700 0.010 0.000 2.881 452 S HA 0.044 4.514 4.470 -0.000 0.000 0.228 452 S C 0.319 174.930 174.600 0.019 0.000 0.965 452 S CA 0.202 58.410 58.200 0.014 0.000 0.998 452 S CB -0.061 63.145 63.200 0.009 0.000 0.795 452 S HN 0.225 nan 8.310 nan 0.000 0.518 453 M N 0.921 120.536 119.600 0.025 0.000 2.706 453 M HA 0.544 5.024 4.480 -0.000 0.000 0.304 453 M C -0.496 175.865 176.300 0.102 0.000 1.217 453 M CA -0.544 54.790 55.300 0.057 0.000 0.922 453 M CB 1.256 33.871 32.600 0.025 0.000 1.637 453 M HN -0.018 nan 8.290 nan 0.000 0.492 454 I N 1.184 121.847 120.570 0.154 0.000 2.503 454 I HA 0.207 4.377 4.170 -0.000 0.000 0.282 454 I C -0.430 175.756 176.117 0.116 0.000 1.059 454 I CA -0.381 60.996 61.300 0.127 0.000 1.081 454 I CB 1.884 39.954 38.000 0.116 0.000 1.210 454 I HN 0.600 nan 8.210 nan 0.000 0.450 455 Q N 5.640 125.478 119.800 0.064 0.000 2.324 455 Q HA 0.272 4.612 4.340 -0.000 0.000 0.257 455 Q C 0.755 176.607 176.000 -0.247 0.000 1.080 455 Q CA -0.145 55.531 55.803 -0.212 0.000 0.907 455 Q CB 0.914 29.565 28.738 -0.144 0.000 1.274 455 Q HN 0.744 nan 8.270 nan 0.000 0.434 456 L N 4.666 125.685 121.223 -0.341 0.000 2.191 456 L HA -0.041 4.299 4.340 -0.000 0.000 0.212 456 L C 0.501 177.285 176.870 -0.144 0.000 1.103 456 L CA 0.861 55.564 54.840 -0.229 0.000 0.769 456 L CB -0.381 41.521 42.059 -0.262 0.000 0.908 456 L HN 0.593 nan 8.230 nan 0.000 0.438 457 F N 0.000 119.748 119.950 -0.337 0.000 2.286 457 F HA 0.000 4.527 4.527 0.000 0.000 0.279 457 F CA 0.000 57.840 58.000 -0.267 0.000 1.383 457 F CB 0.000 38.846 39.000 -0.257 0.000 1.145 457 F HN 0.000 nan 8.300 nan 0.000 0.574