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 1j1b_1_A DATA FIRST_RESID 35 DATA SEQUENCE SKVTTVVATP GQGPDRPQEV SYTDTKVIGN GSFGVVYQAK LCDSGELVAI DATA SEQUENCE KKVLQDKRFK NRELQIMRKL DHCNIVRLRY FFYSSGEKKD EVYLNLVLDY DATA SEQUENCE VPETVYRVAR HYSRAKQTLP VIYVKLYMYQ LFRSLAYIHS FGICHRDIKP DATA SEQUENCE QNLLLDPDTA VLKLCDFGSA KQLVRGEPNV SYICSRYYRA PELIFGATDY DATA SEQUENCE TSSIDVWSAG CVLAELLLGQ PIFPGDSGVD QLVEIIKVLG TPTREQIREM DATA SEQUENCE NPNYTEFKFP QIKAHPWTKV FRPRTPPEAI ALCSRLLEYT PTARLTPLEA DATA SEQUENCE CAHSFFDELR DPNVKLPNGR DTPALFNFTT QELSSNPPLA TILIPPHARI DATA SEQUENCE QAAA 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 35 S HA 0.000 nan 4.470 nan 0.000 0.327 35 S C 0.000 174.584 174.600 -0.027 0.000 1.055 35 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 35 S CB 0.000 63.190 63.200 -0.016 0.000 0.593 36 K N 2.513 122.896 120.400 -0.027 0.000 2.378 36 K HA 0.338 4.665 4.320 0.011 0.000 0.288 36 K C -0.415 176.142 176.600 -0.072 0.000 1.057 36 K CA 0.071 56.331 56.287 -0.045 0.000 0.971 36 K CB 0.446 32.924 32.500 -0.037 0.000 0.975 36 K HN 0.287 nan 8.250 nan 0.000 0.475 37 V N 3.942 123.795 119.914 -0.101 0.000 2.539 37 V HA 0.234 4.361 4.120 0.011 0.000 0.292 37 V C 0.118 176.062 176.094 -0.250 0.000 1.045 37 V CA -0.539 61.665 62.300 -0.159 0.000 0.945 37 V CB 1.729 33.472 31.823 -0.133 0.000 0.993 37 V HN 0.776 nan 8.190 nan 0.000 0.464 38 T N 3.019 117.303 114.554 -0.449 0.000 2.792 38 T HA 0.475 4.832 4.350 0.011 0.000 0.280 38 T C -0.183 174.104 174.700 -0.688 0.000 0.990 38 T CA -0.338 61.400 62.100 -0.603 0.000 0.960 38 T CB 1.327 69.671 68.868 -0.873 0.000 0.939 38 T HN 0.719 nan 8.240 nan 0.000 0.439 39 T N 3.141 117.428 114.554 -0.446 0.000 2.807 39 T HA 0.698 5.055 4.350 0.011 0.000 0.279 39 T C -0.029 174.457 174.700 -0.357 0.000 0.993 39 T CA -0.668 61.211 62.100 -0.368 0.000 0.970 39 T CB 1.177 69.902 68.868 -0.240 0.000 0.950 39 T HN 0.602 nan 8.240 nan 0.000 0.441 40 V N 0.389 120.063 119.914 -0.400 0.000 3.141 40 V HA 0.864 4.991 4.120 0.011 0.000 0.312 40 V C -0.879 175.020 176.094 -0.325 0.000 1.157 40 V CA -1.018 61.025 62.300 -0.429 0.000 1.041 40 V CB 2.038 33.331 31.823 -0.884 0.000 1.071 40 V HN 0.534 nan 8.190 nan 0.000 0.441 41 V N 2.220 121.995 119.914 -0.232 0.000 2.293 41 V HA 0.816 4.943 4.120 0.011 0.000 0.275 41 V C 0.561 176.579 176.094 -0.127 0.000 1.021 41 V CA 0.341 62.548 62.300 -0.155 0.000 0.815 41 V CB 0.486 32.261 31.823 -0.080 0.000 1.025 41 V HN 1.354 nan 8.190 nan 0.000 0.448 42 A N 3.630 126.341 122.820 -0.181 0.000 2.337 42 A HA 0.841 5.167 4.320 0.011 0.000 0.331 42 A C 0.161 177.670 177.584 -0.124 0.000 1.137 42 A CA -0.535 51.432 52.037 -0.115 0.000 0.807 42 A CB 1.206 20.151 19.000 -0.092 0.000 1.250 42 A HN 0.605 nan 8.150 nan 0.000 0.468 43 T N 3.707 118.075 114.554 -0.310 0.000 2.771 43 T HA 0.470 4.826 4.350 0.011 0.000 0.291 43 T C -2.595 172.023 174.700 -0.137 0.000 0.954 43 T CA -0.829 61.053 62.100 -0.364 0.000 1.045 43 T CB 0.833 69.184 68.868 -0.862 0.000 0.917 43 T HN 0.398 nan 8.240 nan 0.000 0.484 44 P HA 0.047 nan 4.420 nan 0.000 0.263 44 P C 1.221 178.559 177.300 0.065 0.000 1.175 44 P CA 0.156 63.287 63.100 0.050 0.000 0.761 44 P CB 0.366 32.089 31.700 0.037 0.000 0.794 45 G N 2.985 111.796 108.800 0.017 0.000 2.442 45 G HA2 -0.166 3.801 3.960 0.011 0.000 0.219 45 G HA3 -0.166 3.801 3.960 0.011 0.000 0.219 45 G C 0.226 175.179 174.900 0.089 0.000 1.141 45 G CA 0.620 45.797 45.100 0.129 0.000 0.763 45 G HN 0.577 nan 8.290 nan 0.000 0.554 46 Q N -1.309 118.504 119.800 0.022 0.000 2.413 46 Q HA 0.545 4.892 4.340 0.011 0.000 0.276 46 Q C 0.176 176.189 176.000 0.022 0.000 1.099 46 Q CA -0.323 55.491 55.803 0.018 0.000 0.814 46 Q CB 2.526 31.257 28.738 -0.012 0.000 1.379 46 Q HN 0.424 nan 8.270 nan 0.000 0.436 47 G N 1.680 110.497 108.800 0.029 0.000 2.445 47 G HA2 -0.125 3.842 3.960 0.011 0.000 0.212 47 G HA3 -0.125 3.842 3.960 0.011 0.000 0.212 47 G C -2.651 172.275 174.900 0.043 0.000 1.217 47 G CA -0.697 44.421 45.100 0.029 0.000 1.002 47 G HN 0.577 nan 8.290 nan 0.000 0.574 48 P HA 0.550 nan 4.420 nan 0.000 0.286 48 P C -1.219 176.115 177.300 0.056 0.000 1.261 48 P CA -0.455 62.672 63.100 0.046 0.000 0.821 48 P CB 1.067 32.788 31.700 0.035 0.000 1.013 49 D N 1.961 122.400 120.400 0.065 0.000 2.597 49 D HA 0.078 4.724 4.640 0.011 0.000 0.228 49 D C -0.054 176.271 176.300 0.042 0.000 1.120 49 D CA 0.330 54.372 54.000 0.071 0.000 1.083 49 D CB -0.257 40.599 40.800 0.095 0.000 1.116 49 D HN -0.042 nan 8.370 nan 0.000 0.487 50 R N 2.321 122.839 120.500 0.030 0.000 2.477 50 R HA 0.284 4.631 4.340 0.011 0.000 0.285 50 R C -2.548 173.759 176.300 0.012 0.000 1.415 50 R CA -1.909 54.203 56.100 0.021 0.000 1.446 50 R CB 0.525 30.839 30.300 0.024 0.000 1.110 50 R HN 0.168 nan 8.270 nan 0.000 0.590 51 P HA -0.050 nan 4.420 nan 0.000 0.266 51 P C -0.339 176.944 177.300 -0.028 0.000 1.193 51 P CA 0.294 63.375 63.100 -0.032 0.000 0.770 51 P CB 0.608 32.283 31.700 -0.041 0.000 0.836 52 Q N -0.168 119.601 119.800 -0.052 0.000 2.456 52 Q HA 0.521 4.868 4.340 0.011 0.000 0.283 52 Q C -1.005 174.913 176.000 -0.137 0.000 1.084 52 Q CA -1.097 54.665 55.803 -0.067 0.000 0.801 52 Q CB 1.566 30.287 28.738 -0.028 0.000 1.434 52 Q HN 0.238 nan 8.270 nan 0.000 0.419 53 E N 0.645 120.770 120.200 -0.124 0.000 2.324 53 E HA 0.318 4.675 4.350 0.011 0.000 0.271 53 E C -1.159 175.319 176.600 -0.203 0.000 1.028 53 E CA -0.093 56.212 56.400 -0.158 0.000 0.890 53 E CB 1.309 30.938 29.700 -0.118 0.000 1.004 53 E HN 0.307 nan 8.360 nan 0.000 0.431 54 V N 3.001 122.754 119.914 -0.269 0.000 2.531 54 V HA 0.341 4.467 4.120 0.011 0.000 0.301 54 V C -0.423 175.540 176.094 -0.217 0.000 1.034 54 V CA -0.732 61.399 62.300 -0.281 0.000 0.865 54 V CB 2.136 33.674 31.823 -0.475 0.000 0.995 54 V HN 0.568 nan 8.190 nan 0.000 0.424 55 S N 3.892 119.505 115.700 -0.146 0.000 2.503 55 S HA 0.880 5.356 4.470 0.011 0.000 0.301 55 S C -1.159 173.415 174.600 -0.043 0.000 1.087 55 S CA -0.563 57.530 58.200 -0.178 0.000 1.042 55 S CB 1.435 64.543 63.200 -0.154 0.000 1.043 55 S HN 0.769 nan 8.310 nan 0.000 0.489 56 Y N -0.952 119.284 120.300 -0.106 0.000 2.625 56 Y HA 0.873 5.430 4.550 0.012 0.000 0.338 56 Y C -0.335 175.529 175.900 -0.059 0.000 1.123 56 Y CA -0.913 57.146 58.100 -0.069 0.000 1.046 56 Y CB 1.291 39.719 38.460 -0.053 0.000 1.299 56 Y HN 0.547 nan 8.280 nan 0.000 0.464 57 T N -0.683 113.996 114.554 0.207 0.000 2.681 57 T HA 0.362 4.719 4.350 0.011 0.000 0.296 57 T C -1.557 173.214 174.700 0.119 0.000 1.157 57 T CA -0.088 62.077 62.100 0.109 0.000 1.025 57 T CB 0.801 69.682 68.868 0.021 0.000 1.441 57 T HN 0.869 nan 8.240 nan 0.000 0.504 58 D N 1.389 121.828 120.400 0.065 0.000 2.699 58 D HA -0.104 4.542 4.640 0.011 0.000 0.239 58 D C -0.298 176.037 176.300 0.057 0.000 1.136 58 D CA 0.936 54.962 54.000 0.043 0.000 0.668 58 D CB -1.587 39.223 40.800 0.016 0.000 1.060 58 D HN 0.500 nan 8.370 nan 0.000 0.429 59 T N 0.846 115.455 114.554 0.093 0.000 2.907 59 T HA 0.420 4.777 4.350 0.011 0.000 0.298 59 T C 0.700 175.473 174.700 0.122 0.000 1.017 59 T CA -0.127 62.042 62.100 0.115 0.000 1.118 59 T CB 1.217 70.163 68.868 0.131 0.000 0.948 59 T HN 0.303 nan 8.240 nan 0.000 0.531 60 K N 0.330 120.828 120.400 0.164 0.000 2.572 60 K HA 0.485 4.812 4.320 0.011 0.000 0.263 60 K C -1.596 175.078 176.600 0.123 0.000 0.932 60 K CA -1.035 55.333 56.287 0.136 0.000 0.838 60 K CB 0.755 33.288 32.500 0.055 0.000 1.366 60 K HN 0.211 nan 8.250 nan 0.000 0.425 61 V N 3.670 123.602 119.914 0.030 0.000 2.529 61 V HA 0.063 4.190 4.120 0.011 0.000 0.292 61 V C 1.033 177.072 176.094 -0.092 0.000 1.028 61 V CA 0.288 62.481 62.300 -0.179 0.000 1.074 61 V CB 0.112 31.799 31.823 -0.228 0.000 0.958 61 V HN 0.873 nan 8.190 nan 0.000 0.481 62 I N 1.662 122.175 120.570 -0.094 0.000 4.338 62 I HA 0.740 4.917 4.170 0.011 0.000 0.329 62 I C 0.536 176.636 176.117 -0.028 0.000 1.378 62 I CA 0.045 61.339 61.300 -0.011 0.000 1.170 62 I CB 0.728 38.780 38.000 0.087 0.000 1.206 62 I HN 0.632 nan 8.210 nan 0.000 0.432 63 G N 0.434 109.178 108.800 -0.093 0.000 2.506 63 G HA2 0.527 4.494 3.960 0.011 0.000 0.292 63 G HA3 0.527 4.494 3.960 0.011 0.000 0.292 63 G C -2.305 172.526 174.900 -0.116 0.000 1.425 63 G CA -0.683 44.368 45.100 -0.081 0.000 0.788 63 G HN 0.227 nan 8.290 nan 0.000 0.490 64 N N -2.387 116.262 118.700 -0.085 0.000 3.046 64 N HA 0.712 5.459 4.740 0.011 0.000 0.243 64 N C -0.447 175.027 175.510 -0.060 0.000 1.452 64 N CA 0.050 53.053 53.050 -0.079 0.000 0.882 64 N CB 2.299 40.737 38.487 -0.083 0.000 1.425 64 N HN 1.224 nan 8.380 nan 0.000 0.517 65 G N -1.238 107.531 108.800 -0.052 0.000 2.559 65 G HA2 0.272 4.239 3.960 0.011 0.000 0.291 65 G HA3 0.272 4.239 3.960 0.011 0.000 0.291 65 G C 0.109 174.942 174.900 -0.112 0.000 1.424 65 G CA -0.003 45.051 45.100 -0.076 0.000 0.786 65 G HN 0.611 nan 8.290 nan 0.000 0.485 66 S N -1.017 114.530 115.700 -0.254 0.000 2.447 66 S HA 0.071 4.548 4.470 0.011 0.000 0.233 66 S C 1.647 176.097 174.600 -0.249 0.000 1.006 66 S CA 1.273 59.286 58.200 -0.311 0.000 0.957 66 S CB -0.360 62.550 63.200 -0.483 0.000 0.773 66 S HN 0.419 nan 8.310 nan 0.000 0.507 67 F N 1.816 121.778 119.950 0.019 0.000 2.317 67 F HA 0.445 4.981 4.527 0.014 0.000 0.290 67 F C 1.782 177.618 175.800 0.060 0.000 1.075 67 F CA 0.169 58.191 58.000 0.038 0.000 1.380 67 F CB 0.037 39.054 39.000 0.030 0.000 1.093 67 F HN 0.505 nan 8.300 nan 0.000 0.524 68 G N -0.584 108.347 108.800 0.217 0.000 2.634 68 G HA2 0.507 4.473 3.960 0.011 0.000 0.309 68 G HA3 0.507 4.473 3.960 0.011 0.000 0.309 68 G C -1.996 172.940 174.900 0.061 0.000 1.299 68 G CA -0.576 44.616 45.100 0.154 0.000 0.798 68 G HN -0.193 nan 8.290 nan 0.000 0.490 69 V N -0.526 119.410 119.914 0.035 0.000 2.815 69 V HA 0.742 4.869 4.120 0.011 0.000 0.314 69 V C -0.367 175.669 176.094 -0.097 0.000 1.064 69 V CA -0.786 61.448 62.300 -0.109 0.000 0.952 69 V CB 1.765 33.431 31.823 -0.261 0.000 1.020 69 V HN 0.606 nan 8.190 nan 0.000 0.439 70 V N 3.265 123.054 119.914 -0.207 0.000 2.487 70 V HA 0.541 4.668 4.120 0.011 0.000 0.298 70 V C -1.098 174.880 176.094 -0.194 0.000 1.028 70 V CA -0.607 61.650 62.300 -0.071 0.000 0.860 70 V CB 1.336 33.153 31.823 -0.010 0.000 0.991 70 V HN 0.773 nan 8.190 nan 0.000 0.427 71 Y N 2.027 122.332 120.300 0.008 0.000 2.587 71 Y HA 0.622 5.178 4.550 0.010 0.000 0.337 71 Y C 0.246 176.143 175.900 -0.006 0.000 1.065 71 Y CA -0.784 57.317 58.100 0.000 0.000 1.126 71 Y CB 1.595 40.047 38.460 -0.012 0.000 1.279 71 Y HN 0.496 nan 8.280 nan 0.000 0.489 72 Q N 1.165 121.047 119.800 0.137 0.000 2.306 72 Q HA 0.847 5.194 4.340 0.011 0.000 0.265 72 Q C -1.638 174.346 176.000 -0.027 0.000 1.022 72 Q CA -0.847 54.952 55.803 -0.007 0.000 0.853 72 Q CB 2.083 30.729 28.738 -0.153 0.000 1.327 72 Q HN 0.859 nan 8.270 nan 0.000 0.449 73 A N 2.843 125.610 122.820 -0.088 0.000 2.610 73 A HA 0.576 4.903 4.320 0.011 0.000 0.291 73 A C -1.890 175.664 177.584 -0.049 0.000 1.086 73 A CA -0.754 51.248 52.037 -0.059 0.000 0.677 73 A CB 1.927 20.819 19.000 -0.180 0.000 1.278 73 A HN 0.613 nan 8.150 nan 0.000 0.414 74 K N 1.652 122.065 120.400 0.022 0.000 2.323 74 K HA 0.590 4.917 4.320 0.011 0.000 0.259 74 K C -1.263 175.387 176.600 0.083 0.000 0.947 74 K CA -0.528 55.775 56.287 0.026 0.000 0.819 74 K CB 0.844 33.351 32.500 0.011 0.000 1.109 74 K HN 0.695 nan 8.250 nan 0.000 0.429 75 L N 4.755 126.023 121.223 0.076 0.000 2.410 75 L HA 0.036 4.383 4.340 0.011 0.000 0.273 75 L C 1.492 178.398 176.870 0.061 0.000 1.144 75 L CA -0.771 54.126 54.840 0.095 0.000 0.863 75 L CB 0.581 42.696 42.059 0.094 0.000 1.140 75 L HN 0.889 nan 8.230 nan 0.000 0.463 76 C N 1.658 120.987 119.300 0.047 0.000 2.413 76 C HA -0.164 4.303 4.460 0.011 0.000 0.276 76 C C 2.119 177.115 174.990 0.011 0.000 1.248 76 C CA 0.727 59.754 59.018 0.015 0.000 1.742 76 C CB -0.679 27.053 27.740 -0.013 0.000 2.017 76 C HN 0.931 nan 8.230 nan 0.000 0.481 77 D N 0.869 121.277 120.400 0.013 0.000 2.097 77 D HA -0.096 4.550 4.640 0.011 0.000 0.195 77 D C 2.357 178.670 176.300 0.022 0.000 0.989 77 D CA 2.035 56.043 54.000 0.013 0.000 0.827 77 D CB -0.155 40.653 40.800 0.014 0.000 0.966 77 D HN 0.620 nan 8.370 nan 0.000 0.456 78 S N -1.958 113.763 115.700 0.035 0.000 2.502 78 S HA 0.300 4.777 4.470 0.011 0.000 0.215 78 S C 1.851 176.470 174.600 0.032 0.000 1.009 78 S CA 0.520 58.741 58.200 0.036 0.000 0.908 78 S CB 0.712 63.942 63.200 0.049 0.000 0.801 78 S HN 0.323 nan 8.310 nan 0.000 0.505 79 G N 1.129 109.948 108.800 0.031 0.000 2.189 79 G HA2 -0.287 3.680 3.960 0.011 0.000 0.267 79 G HA3 -0.287 3.680 3.960 0.011 0.000 0.267 79 G C -0.169 174.747 174.900 0.027 0.000 0.975 79 G CA 0.392 45.507 45.100 0.025 0.000 0.644 79 G HN 0.622 nan 8.290 nan 0.000 0.537 80 E N -0.149 120.074 120.200 0.040 0.000 2.373 80 E HA 0.451 4.808 4.350 0.011 0.000 0.267 80 E C 0.738 177.362 176.600 0.039 0.000 1.032 80 E CA -0.307 56.121 56.400 0.046 0.000 0.889 80 E CB 0.617 30.353 29.700 0.061 0.000 0.984 80 E HN 0.355 nan 8.360 nan 0.000 0.425 81 L N 3.453 124.698 121.223 0.036 0.000 2.326 81 L HA 0.378 4.725 4.340 0.011 0.000 0.278 81 L C -0.044 176.870 176.870 0.073 0.000 1.092 81 L CA -0.616 54.216 54.840 -0.014 0.000 0.810 81 L CB 0.847 42.832 42.059 -0.124 0.000 1.153 81 L HN 0.340 nan 8.230 nan 0.000 0.439 82 V N -0.010 119.927 119.914 0.038 0.000 3.160 82 V HA 0.954 5.081 4.120 0.011 0.000 0.310 82 V C -0.569 175.592 176.094 0.112 0.000 1.181 82 V CA -0.854 61.511 62.300 0.109 0.000 1.047 82 V CB 1.846 33.713 31.823 0.073 0.000 1.068 82 V HN 0.784 nan 8.190 nan 0.000 0.441 83 A N 2.377 125.294 122.820 0.162 0.000 2.331 83 A HA 0.897 5.224 4.320 0.011 0.000 0.320 83 A C -0.681 176.963 177.584 0.099 0.000 1.138 83 A CA -0.663 51.472 52.037 0.164 0.000 0.790 83 A CB 0.816 19.942 19.000 0.209 0.000 1.206 83 A HN 0.896 nan 8.150 nan 0.000 0.470 84 I N 2.395 123.023 120.570 0.097 0.000 2.354 84 I HA 0.277 4.454 4.170 0.011 0.000 0.286 84 I C 0.197 176.394 176.117 0.133 0.000 1.007 84 I CA -0.370 60.973 61.300 0.071 0.000 1.167 84 I CB 1.602 39.599 38.000 -0.006 0.000 1.320 84 I HN 0.675 nan 8.210 nan 0.000 0.458 85 K N 7.541 127.986 120.400 0.074 0.000 2.267 85 K HA 0.287 4.614 4.320 0.011 0.000 0.282 85 K C -0.497 176.134 176.600 0.053 0.000 1.078 85 K CA -0.543 55.791 56.287 0.079 0.000 0.903 85 K CB 0.809 33.344 32.500 0.058 0.000 1.111 85 K HN 0.452 nan 8.250 nan 0.000 0.475 86 K N 3.927 124.395 120.400 0.113 0.000 2.213 86 K HA 0.317 4.644 4.320 0.011 0.000 0.270 86 K C -1.404 175.290 176.600 0.157 0.000 1.002 86 K CA -0.713 55.630 56.287 0.094 0.000 0.868 86 K CB 1.334 33.901 32.500 0.112 0.000 1.093 86 K HN 0.342 nan 8.250 nan 0.000 0.454 87 V N 4.786 124.817 119.914 0.196 0.000 2.841 87 V HA 0.259 4.386 4.120 0.011 0.000 0.310 87 V C -0.747 175.526 176.094 0.299 0.000 1.090 87 V CA -1.134 61.308 62.300 0.236 0.000 0.930 87 V CB 1.851 33.735 31.823 0.102 0.000 1.014 87 V HN 0.704 nan 8.190 nan 0.000 0.425 88 L N 3.695 125.059 121.223 0.235 0.000 2.477 88 L HA 0.355 4.702 4.340 0.011 0.000 0.272 88 L C 0.034 176.879 176.870 -0.041 0.000 1.157 88 L CA 0.684 55.475 54.840 -0.082 0.000 0.889 88 L CB 0.726 42.744 42.059 -0.069 0.000 1.158 88 L HN 0.739 nan 8.230 nan 0.000 0.473 89 Q N 3.370 123.133 119.800 -0.062 0.000 2.271 89 Q HA 0.236 4.583 4.340 0.011 0.000 0.258 89 Q C -1.112 174.899 176.000 0.017 0.000 0.936 89 Q CA -0.446 55.371 55.803 0.023 0.000 0.909 89 Q CB 1.351 30.166 28.738 0.128 0.000 1.253 89 Q HN 0.547 nan 8.270 nan 0.000 0.440 90 D N 2.626 123.064 120.400 0.062 0.000 2.338 90 D HA 0.008 4.655 4.640 0.011 0.000 0.255 90 D C 0.631 176.980 176.300 0.083 0.000 1.237 90 D CA 0.109 54.178 54.000 0.114 0.000 0.883 90 D CB 0.818 41.770 40.800 0.252 0.000 1.087 90 D HN 0.671 nan 8.370 nan 0.000 0.485 91 K N 3.800 124.205 120.400 0.008 0.000 2.074 91 K HA -0.158 4.168 4.320 0.011 0.000 0.209 91 K C 1.269 177.783 176.600 -0.144 0.000 1.048 91 K CA 0.747 56.996 56.287 -0.063 0.000 0.926 91 K CB 0.033 32.488 32.500 -0.075 0.000 0.713 91 K HN 0.128 nan 8.250 nan 0.000 0.444 92 R N 0.377 120.733 120.500 -0.240 0.000 2.323 92 R HA 0.181 4.528 4.340 0.011 0.000 0.198 92 R C -0.334 175.275 176.300 -1.151 0.000 0.988 92 R CA 0.431 56.122 56.100 -0.680 0.000 1.041 92 R CB -0.418 29.363 30.300 -0.864 0.000 0.926 92 R HN 0.233 nan 8.270 nan 0.000 0.476 93 F N -1.199 118.737 119.950 -0.023 0.000 2.645 93 F HA 0.350 4.881 4.527 0.008 0.000 0.310 93 F C 0.217 176.004 175.800 -0.021 0.000 1.102 93 F CA -1.446 56.541 58.000 -0.022 0.000 0.952 93 F CB 1.035 40.022 39.000 -0.021 0.000 1.326 93 F HN -0.459 nan 8.300 nan 0.000 0.456 94 K N 1.028 121.522 120.400 0.157 0.000 2.118 94 K HA 0.287 4.614 4.320 0.011 0.000 0.267 94 K C -0.758 175.871 176.600 0.049 0.000 0.991 94 K CA -0.594 55.737 56.287 0.075 0.000 0.916 94 K CB 0.860 33.381 32.500 0.035 0.000 1.041 94 K HN 0.613 nan 8.250 nan 0.000 0.455 95 N N 1.885 120.592 118.700 0.012 0.000 2.431 95 N HA 0.013 4.760 4.740 0.011 0.000 0.265 95 N C 0.852 176.323 175.510 -0.066 0.000 1.184 95 N CA 0.151 53.179 53.050 -0.035 0.000 0.943 95 N CB 0.496 38.949 38.487 -0.056 0.000 1.080 95 N HN 0.540 nan 8.380 nan 0.000 0.477 96 R N 2.874 123.335 120.500 -0.066 0.000 2.096 96 R HA -0.168 4.178 4.340 0.011 0.000 0.235 96 R C 1.547 177.803 176.300 -0.074 0.000 1.127 96 R CA 1.482 57.543 56.100 -0.065 0.000 0.968 96 R CB -0.006 30.258 30.300 -0.059 0.000 0.861 96 R HN 0.754 nan 8.270 nan 0.000 0.440 97 E N 0.214 120.366 120.200 -0.080 0.000 2.077 97 E HA -0.226 4.130 4.350 0.011 0.000 0.193 97 E C 1.962 178.504 176.600 -0.097 0.000 0.989 97 E CA 1.249 57.616 56.400 -0.054 0.000 0.800 97 E CB -0.060 29.608 29.700 -0.053 0.000 0.746 97 E HN 0.269 nan 8.360 nan 0.000 0.452 98 L N 1.076 122.213 121.223 -0.144 0.000 2.017 98 L HA -0.204 4.143 4.340 0.011 0.000 0.208 98 L C 2.172 178.906 176.870 -0.225 0.000 1.073 98 L CA 1.704 56.405 54.840 -0.231 0.000 0.745 98 L CB -0.489 41.370 42.059 -0.333 0.000 0.894 98 L HN 0.089 nan 8.230 nan 0.000 0.432 99 Q N -0.073 119.623 119.800 -0.173 0.000 2.096 99 Q HA -0.157 4.190 4.340 0.011 0.000 0.204 99 Q C 2.368 178.279 176.000 -0.149 0.000 0.982 99 Q CA 2.207 57.924 55.803 -0.144 0.000 0.850 99 Q CB -0.540 28.140 28.738 -0.097 0.000 0.901 99 Q HN 0.617 nan 8.270 nan 0.000 0.422 100 I N -0.199 120.283 120.570 -0.145 0.000 2.233 100 I HA -0.235 3.942 4.170 0.011 0.000 0.243 100 I C 2.097 178.052 176.117 -0.270 0.000 1.093 100 I CA 0.743 61.937 61.300 -0.178 0.000 1.380 100 I CB -0.210 37.722 38.000 -0.113 0.000 1.067 100 I HN 0.183 nan 8.210 nan 0.000 0.413 101 M N 0.176 119.608 119.600 -0.279 0.000 2.108 101 M HA -0.198 4.289 4.480 0.011 0.000 0.261 101 M C 2.330 178.503 176.300 -0.213 0.000 1.066 101 M CA 1.707 56.822 55.300 -0.309 0.000 1.107 101 M CB -1.276 31.196 32.600 -0.214 0.000 1.356 101 M HN 0.212 nan 8.290 nan 0.000 0.406 102 R N 0.761 121.158 120.500 -0.173 0.000 2.159 102 R HA -0.163 4.184 4.340 0.011 0.000 0.237 102 R C 1.919 178.151 176.300 -0.113 0.000 1.131 102 R CA 1.396 57.429 56.100 -0.112 0.000 0.982 102 R CB -0.323 29.918 30.300 -0.099 0.000 0.868 102 R HN 0.549 nan 8.270 nan 0.000 0.453 103 K N 0.021 120.317 120.400 -0.173 0.000 2.374 103 K HA 0.129 4.456 4.320 0.011 0.000 0.196 103 K C 0.184 176.656 176.600 -0.214 0.000 1.023 103 K CA 0.104 56.266 56.287 -0.208 0.000 1.103 103 K CB 0.340 32.660 32.500 -0.300 0.000 0.848 103 K HN 0.015 nan 8.250 nan 0.000 0.528 104 L N 2.027 123.154 121.223 -0.160 0.000 2.312 104 L HA 0.320 4.666 4.340 0.011 0.000 0.281 104 L C -0.891 175.996 176.870 0.027 0.000 1.070 104 L CA -0.685 54.156 54.840 0.002 0.000 0.805 104 L CB 1.038 43.041 42.059 -0.094 0.000 1.174 104 L HN 0.099 nan 8.230 nan 0.000 0.434 105 D N 2.115 122.576 120.400 0.102 0.000 2.337 105 D HA 0.245 4.892 4.640 0.011 0.000 0.238 105 D C -1.227 174.945 176.300 -0.213 0.000 1.331 105 D CA -0.202 53.779 54.000 -0.031 0.000 0.967 105 D CB 0.574 41.387 40.800 0.021 0.000 1.382 105 D HN 0.456 nan 8.370 nan 0.000 0.549 106 H N 2.160 120.992 119.070 -0.397 0.000 2.974 106 H HA 0.192 4.756 4.556 0.012 0.000 0.366 106 H C 1.250 176.415 175.328 -0.273 0.000 1.155 106 H CA -0.517 55.225 56.048 -0.510 0.000 1.186 106 H CB 1.811 31.043 29.762 -0.883 0.000 1.799 106 H HN 0.480 nan 8.280 nan 0.000 0.541 107 C N 2.417 121.426 119.300 -0.485 0.000 2.422 107 C HA 0.085 4.551 4.460 0.011 0.000 0.286 107 C C 0.966 175.911 174.990 -0.074 0.000 1.412 107 C CA 0.214 59.078 59.018 -0.257 0.000 1.786 107 C CB -0.773 26.776 27.740 -0.318 0.000 1.835 107 C HN 0.527 nan 8.230 nan 0.000 0.533 108 N N 0.905 119.704 118.700 0.164 0.000 2.273 108 N HA 0.424 5.171 4.740 0.011 0.000 0.231 108 N C -0.475 175.095 175.510 0.101 0.000 1.134 108 N CA 0.203 53.336 53.050 0.137 0.000 0.856 108 N CB 0.503 39.078 38.487 0.146 0.000 1.068 108 N HN 0.612 nan 8.380 nan 0.000 0.510 109 I N 0.433 121.063 120.570 0.100 0.000 2.534 109 I HA 0.173 4.350 4.170 0.011 0.000 0.288 109 I C 0.004 176.164 176.117 0.072 0.000 1.077 109 I CA -0.984 60.385 61.300 0.115 0.000 1.051 109 I CB 2.995 41.066 38.000 0.119 0.000 1.234 109 I HN -0.301 nan 8.210 nan 0.000 0.425 110 V N 6.988 126.963 119.914 0.102 0.000 2.617 110 V HA 0.011 4.138 4.120 0.011 0.000 0.304 110 V C 0.623 176.734 176.094 0.029 0.000 1.040 110 V CA 0.359 62.693 62.300 0.057 0.000 1.149 110 V CB 0.668 32.535 31.823 0.073 0.000 0.914 110 V HN 0.766 nan 8.190 nan 0.000 0.487 111 R N 5.267 125.766 120.500 -0.001 0.000 2.340 111 R HA 0.343 4.690 4.340 0.011 0.000 0.300 111 R C -0.659 175.628 176.300 -0.021 0.000 1.069 111 R CA -0.757 55.327 56.100 -0.026 0.000 0.984 111 R CB 0.855 31.131 30.300 -0.040 0.000 1.003 111 R HN 0.683 nan 8.270 nan 0.000 0.459 112 L N 5.759 126.960 121.223 -0.036 0.000 2.295 112 L HA 0.241 4.588 4.340 0.011 0.000 0.288 112 L C 0.931 177.769 176.870 -0.053 0.000 1.079 112 L CA 0.338 55.169 54.840 -0.016 0.000 0.830 112 L CB 0.737 42.788 42.059 -0.015 0.000 1.200 112 L HN 0.737 nan 8.230 nan 0.000 0.438 113 R N 3.617 124.071 120.500 -0.077 0.000 2.062 113 R HA 0.106 4.453 4.340 0.011 0.000 0.226 113 R C -0.432 175.540 176.300 -0.548 0.000 1.125 113 R CA 1.192 57.107 56.100 -0.310 0.000 0.966 113 R CB 0.085 30.247 30.300 -0.230 0.000 0.861 113 R HN 0.552 nan 8.270 nan 0.000 0.433 114 Y N -1.753 118.613 120.300 0.109 0.000 2.705 114 Y HA 0.367 4.924 4.550 0.012 0.000 0.332 114 Y C -0.893 175.136 175.900 0.214 0.000 1.221 114 Y CA -1.628 56.539 58.100 0.110 0.000 1.059 114 Y CB 1.417 39.928 38.460 0.085 0.000 1.298 114 Y HN -0.058 nan 8.280 nan 0.000 0.459 115 F N 0.472 120.575 119.950 0.255 0.000 2.641 115 F HA 0.870 5.406 4.527 0.015 0.000 0.308 115 F C -1.745 174.117 175.800 0.103 0.000 1.105 115 F CA -1.677 56.345 58.000 0.038 0.000 0.964 115 F CB 1.736 40.684 39.000 -0.088 0.000 1.294 115 F HN 0.386 nan 8.300 nan 0.000 0.442 116 F N -0.093 119.838 119.950 -0.032 0.000 2.741 116 F HA 0.789 5.324 4.527 0.012 0.000 0.313 116 F C -2.419 173.233 175.800 -0.247 0.000 1.153 116 F CA -1.990 55.939 58.000 -0.120 0.000 0.931 116 F CB 1.211 40.190 39.000 -0.036 0.000 1.335 116 F HN 0.525 nan 8.300 nan 0.000 0.460 117 Y N 0.974 121.489 120.300 0.358 0.000 2.409 117 Y HA 0.698 5.253 4.550 0.009 0.000 0.339 117 Y C -0.016 176.086 175.900 0.336 0.000 1.033 117 Y CA -0.659 57.583 58.100 0.237 0.000 1.094 117 Y CB 2.302 40.872 38.460 0.183 0.000 1.210 117 Y HN 0.822 nan 8.280 nan 0.000 0.456 118 S N 0.058 116.002 115.700 0.407 0.000 2.569 118 S HA 0.699 5.176 4.470 0.011 0.000 0.280 118 S C -1.070 173.730 174.600 0.333 0.000 1.111 118 S CA -1.043 57.370 58.200 0.355 0.000 0.887 118 S CB 1.701 65.112 63.200 0.351 0.000 1.095 118 S HN 0.426 nan 8.310 nan 0.000 0.476 119 S N 0.766 116.620 115.700 0.257 0.000 2.554 119 S HA 0.676 5.153 4.470 0.011 0.000 0.278 119 S C 0.427 175.202 174.600 0.291 0.000 1.242 119 S CA -0.583 57.761 58.200 0.241 0.000 1.051 119 S CB 1.063 64.352 63.200 0.148 0.000 0.986 119 S HN 1.050 nan 8.310 nan 0.000 0.502 120 G N 1.654 110.680 108.800 0.376 0.000 2.475 120 G HA2 0.299 4.266 3.960 0.011 0.000 0.322 120 G HA3 0.299 4.266 3.960 0.011 0.000 0.322 120 G C 0.469 175.501 174.900 0.220 0.000 1.044 120 G CA -0.453 44.905 45.100 0.430 0.000 1.047 120 G HN 0.626 nan 8.290 nan 0.000 0.436 121 E N 1.420 121.710 120.200 0.149 0.000 2.253 121 E HA -0.197 4.160 4.350 0.011 0.000 0.202 121 E C 2.156 178.811 176.600 0.091 0.000 1.014 121 E CA 0.723 57.182 56.400 0.098 0.000 0.823 121 E CB 0.096 29.839 29.700 0.072 0.000 0.736 121 E HN 0.724 nan 8.360 nan 0.000 0.478 122 K N -0.111 120.357 120.400 0.113 0.000 2.362 122 K HA -0.161 4.166 4.320 0.011 0.000 0.202 122 K C 0.929 177.575 176.600 0.077 0.000 1.045 122 K CA 1.015 57.359 56.287 0.095 0.000 0.936 122 K CB 0.208 32.780 32.500 0.119 0.000 0.747 122 K HN -0.015 nan 8.250 nan 0.000 0.467 123 K N -1.344 119.103 120.400 0.078 0.000 2.614 123 K HA -0.008 4.319 4.320 0.011 0.000 0.292 123 K C -1.430 175.200 176.600 0.049 0.000 0.786 123 K CA 0.006 56.325 56.287 0.053 0.000 0.624 123 K CB 0.243 32.769 32.500 0.042 0.000 1.281 123 K HN -0.044 nan 8.250 nan 0.000 0.356 124 D N 1.933 122.351 120.400 0.030 0.000 2.561 124 D HA 0.046 4.692 4.640 0.011 0.000 0.232 124 D C -0.717 175.586 176.300 0.004 0.000 1.198 124 D CA -0.025 53.988 54.000 0.021 0.000 0.826 124 D CB -0.000 40.806 40.800 0.011 0.000 0.992 124 D HN 0.361 nan 8.370 nan 0.000 0.490 125 E N 0.262 120.462 120.200 0.000 0.000 2.316 125 E HA 0.357 4.714 4.350 0.011 0.000 0.275 125 E C -0.324 176.212 176.600 -0.107 0.000 1.029 125 E CA -0.656 55.692 56.400 -0.085 0.000 0.871 125 E CB 1.850 31.482 29.700 -0.114 0.000 1.022 125 E HN -0.136 nan 8.360 nan 0.000 0.418 126 V N 3.603 123.415 119.914 -0.171 0.000 2.513 126 V HA 0.259 4.386 4.120 0.011 0.000 0.299 126 V C -0.980 175.002 176.094 -0.187 0.000 1.035 126 V CA -0.782 61.482 62.300 -0.060 0.000 0.889 126 V CB 0.501 32.338 31.823 0.023 0.000 0.988 126 V HN 0.592 nan 8.190 nan 0.000 0.440 127 Y N 3.833 124.224 120.300 0.152 0.000 2.377 127 Y HA 0.631 5.188 4.550 0.011 0.000 0.339 127 Y C -0.106 175.839 175.900 0.075 0.000 1.011 127 Y CA -0.773 57.390 58.100 0.105 0.000 1.093 127 Y CB 1.908 40.407 38.460 0.065 0.000 1.201 127 Y HN 0.542 nan 8.280 nan 0.000 0.455 128 L N 4.663 125.966 121.223 0.133 0.000 2.289 128 L HA 0.462 4.808 4.340 0.011 0.000 0.285 128 L C -0.937 175.803 176.870 -0.216 0.000 1.049 128 L CA -0.374 54.377 54.840 -0.149 0.000 0.804 128 L CB 0.541 42.544 42.059 -0.092 0.000 1.195 128 L HN 0.582 nan 8.230 nan 0.000 0.428 129 N N 6.555 124.955 118.700 -0.500 0.000 2.479 129 N HA 0.357 5.104 4.740 0.011 0.000 0.261 129 N C -1.341 173.921 175.510 -0.413 0.000 0.979 129 N CA -0.434 52.255 53.050 -0.601 0.000 0.930 129 N CB 1.796 39.414 38.487 -1.448 0.000 1.172 129 N HN 0.566 nan 8.380 nan 0.000 0.499 130 L N 2.452 123.573 121.223 -0.170 0.000 2.257 130 L HA 0.385 4.732 4.340 0.011 0.000 0.290 130 L C 0.015 176.900 176.870 0.025 0.000 1.044 130 L CA -0.836 53.984 54.840 -0.033 0.000 0.810 130 L CB 1.188 43.238 42.059 -0.015 0.000 1.193 130 L HN 0.095 nan 8.230 nan 0.000 0.425 131 V N 5.869 125.850 119.914 0.112 0.000 2.368 131 V HA 0.351 4.478 4.120 0.011 0.000 0.266 131 V C 0.312 176.478 176.094 0.120 0.000 1.045 131 V CA -0.189 62.202 62.300 0.152 0.000 0.899 131 V CB 0.958 32.964 31.823 0.304 0.000 1.006 131 V HN 0.529 nan 8.190 nan 0.000 0.470 132 L N 2.912 124.191 121.223 0.092 0.000 2.303 132 L HA 0.668 5.014 4.340 0.011 0.000 0.266 132 L C -0.085 176.835 176.870 0.083 0.000 1.011 132 L CA -1.121 53.763 54.840 0.072 0.000 0.818 132 L CB 1.176 43.275 42.059 0.067 0.000 1.326 132 L HN 0.324 nan 8.230 nan 0.000 0.435 133 D N 0.183 120.618 120.400 0.059 0.000 2.414 133 D HA 0.041 4.687 4.640 0.011 0.000 0.242 133 D C -0.834 175.526 176.300 0.100 0.000 1.129 133 D CA 0.314 54.356 54.000 0.070 0.000 0.885 133 D CB 0.635 41.453 40.800 0.029 0.000 1.198 133 D HN 0.304 nan 8.370 nan 0.000 0.437 134 Y N 2.002 122.309 120.300 0.012 0.000 2.316 134 Y HA 0.371 4.927 4.550 0.011 0.000 0.331 134 Y C -0.800 175.101 175.900 0.003 0.000 1.083 134 Y CA -0.402 57.704 58.100 0.010 0.000 1.206 134 Y CB 0.688 39.156 38.460 0.012 0.000 1.195 134 Y HN 0.046 nan 8.280 nan 0.000 0.497 135 V N 9.189 128.678 119.914 -0.709 0.000 2.487 135 V HA 0.260 4.387 4.120 0.011 0.000 0.298 135 V C -1.638 173.945 176.094 -0.851 0.000 1.028 135 V CA -1.511 60.456 62.300 -0.554 0.000 0.860 135 V CB 1.619 33.272 31.823 -0.282 0.000 0.991 135 V HN 0.789 nan 8.190 nan 0.000 0.427 136 P HA -0.029 nan 4.420 nan 0.000 0.218 136 P C 0.258 177.450 177.300 -0.180 0.000 1.149 136 P CA 1.279 64.181 63.100 -0.330 0.000 0.817 136 P CB 0.853 32.513 31.700 -0.067 0.000 0.785 137 E N -0.894 119.203 120.200 -0.172 0.000 2.440 137 E HA 0.463 4.820 4.350 0.011 0.000 0.263 137 E C -0.159 176.365 176.600 -0.127 0.000 0.938 137 E CA -0.327 56.005 56.400 -0.115 0.000 0.831 137 E CB 1.953 31.594 29.700 -0.098 0.000 1.456 137 E HN 0.016 nan 8.360 nan 0.000 0.427 138 T N -3.529 110.973 114.554 -0.086 0.000 2.896 138 T HA 0.319 4.676 4.350 0.011 0.000 0.297 138 T C 0.893 175.545 174.700 -0.080 0.000 1.108 138 T CA -0.670 61.380 62.100 -0.083 0.000 1.004 138 T CB 1.012 69.875 68.868 -0.009 0.000 1.159 138 T HN 0.039 nan 8.240 nan 0.000 0.499 139 V N 1.011 120.853 119.914 -0.119 0.000 2.490 139 V HA -0.094 4.033 4.120 0.011 0.000 0.250 139 V C 2.012 178.116 176.094 0.018 0.000 1.061 139 V CA 1.891 64.125 62.300 -0.110 0.000 1.064 139 V CB -1.284 30.462 31.823 -0.129 0.000 0.670 139 V HN 0.900 nan 8.190 nan 0.000 0.461 140 Y N 1.354 121.620 120.300 -0.057 0.000 2.097 140 Y HA -0.280 4.276 4.550 0.012 0.000 0.282 140 Y C 2.744 178.659 175.900 0.026 0.000 1.152 140 Y CA 2.012 60.108 58.100 -0.006 0.000 1.136 140 Y CB -0.146 38.302 38.460 -0.020 0.000 0.975 140 Y HN 0.085 nan 8.280 nan 0.000 0.498 141 R N -0.617 119.929 120.500 0.077 0.000 2.073 141 R HA -0.142 4.205 4.340 0.011 0.000 0.234 141 R C 2.218 178.513 176.300 -0.009 0.000 1.134 141 R CA 1.659 57.761 56.100 0.004 0.000 0.952 141 R CB -0.722 29.625 30.300 0.077 0.000 0.850 141 R HN 0.270 nan 8.270 nan 0.000 0.433 142 V N 1.011 120.937 119.914 0.022 0.000 2.343 142 V HA -0.257 3.870 4.120 0.011 0.000 0.247 142 V C 2.397 178.629 176.094 0.230 0.000 1.051 142 V CA 2.033 64.394 62.300 0.103 0.000 1.036 142 V CB -0.678 31.191 31.823 0.077 0.000 0.654 142 V HN 0.441 nan 8.190 nan 0.000 0.451 143 A N -0.366 122.522 122.820 0.113 0.000 1.972 143 A HA -0.242 4.085 4.320 0.011 0.000 0.219 143 A C 2.394 180.020 177.584 0.070 0.000 1.169 143 A CA 1.921 54.026 52.037 0.115 0.000 0.635 143 A CB -0.555 18.465 19.000 0.033 0.000 0.810 143 A HN 0.484 nan 8.150 nan 0.000 0.446 144 R N -1.299 119.155 120.500 -0.076 0.000 2.115 144 R HA -0.186 4.161 4.340 0.011 0.000 0.230 144 R C 2.110 178.397 176.300 -0.021 0.000 1.111 144 R CA 1.738 57.764 56.100 -0.125 0.000 0.976 144 R CB -0.406 29.724 30.300 -0.285 0.000 0.870 144 R HN 0.824 nan 8.270 nan 0.000 0.445 145 H N -0.936 118.102 119.070 -0.054 0.000 2.293 145 H HA -0.167 4.396 4.556 0.011 0.000 0.300 145 H C 1.424 176.671 175.328 -0.134 0.000 1.082 145 H CA 2.292 58.272 56.048 -0.113 0.000 1.308 145 H CB -0.320 29.332 29.762 -0.182 0.000 1.375 145 H HN 0.238 nan 8.280 nan 0.000 0.495 146 Y N -0.142 120.153 120.300 -0.010 0.000 2.242 146 Y HA -0.157 4.400 4.550 0.011 0.000 0.291 146 Y C 3.156 179.002 175.900 -0.089 0.000 1.137 146 Y CA 1.275 59.347 58.100 -0.047 0.000 1.181 146 Y CB -0.428 38.076 38.460 0.074 0.000 0.989 146 Y HN 0.245 nan 8.280 nan 0.000 0.527 147 S N -0.230 115.515 115.700 0.076 0.000 2.348 147 S HA -0.197 4.279 4.470 0.011 0.000 0.221 147 S C 2.115 176.692 174.600 -0.038 0.000 1.033 147 S CA 1.369 59.581 58.200 0.019 0.000 1.010 147 S CB -0.141 63.060 63.200 0.002 0.000 0.891 147 S HN 0.381 nan 8.310 nan 0.000 0.442 148 R N 0.763 121.209 120.500 -0.089 0.000 2.081 148 R HA 0.029 4.376 4.340 0.011 0.000 0.235 148 R C 2.117 178.334 176.300 -0.138 0.000 1.131 148 R CA 1.287 57.323 56.100 -0.107 0.000 0.960 148 R CB -0.359 29.868 30.300 -0.122 0.000 0.856 148 R HN 0.358 nan 8.270 nan 0.000 0.436 149 A N 1.290 123.970 122.820 -0.235 0.000 2.261 149 A HA -0.022 4.305 4.320 0.011 0.000 0.208 149 A C -0.043 177.481 177.584 -0.101 0.000 1.223 149 A CA 0.181 52.086 52.037 -0.220 0.000 0.833 149 A CB -0.364 18.396 19.000 -0.399 0.000 0.830 149 A HN 0.306 nan 8.150 nan 0.000 0.483 150 K N -0.738 119.627 120.400 -0.058 0.000 3.071 150 K HA -0.189 4.138 4.320 0.011 0.000 0.262 150 K C -0.453 176.160 176.600 0.021 0.000 0.977 150 K CA 0.817 57.097 56.287 -0.011 0.000 0.721 150 K CB -1.350 31.142 32.500 -0.013 0.000 1.293 150 K HN 0.550 nan 8.250 nan 0.000 0.475 151 Q N 0.092 119.927 119.800 0.057 0.000 2.399 151 Q HA 0.384 4.731 4.340 0.011 0.000 0.276 151 Q C -0.265 175.859 176.000 0.208 0.000 1.098 151 Q CA -0.402 55.487 55.803 0.142 0.000 0.827 151 Q CB 2.261 31.114 28.738 0.193 0.000 1.386 151 Q HN 0.138 nan 8.270 nan 0.000 0.443 152 T N 1.554 116.209 114.554 0.168 0.000 2.837 152 T HA 0.339 4.696 4.350 0.011 0.000 0.285 152 T C -0.132 174.542 174.700 -0.043 0.000 0.984 152 T CA -0.562 61.583 62.100 0.075 0.000 1.049 152 T CB 0.529 69.420 68.868 0.038 0.000 0.947 152 T HN 0.346 nan 8.240 nan 0.000 0.472 153 L N 6.092 127.156 121.223 -0.265 0.000 2.477 153 L HA 0.328 4.675 4.340 0.011 0.000 0.272 153 L C -2.325 174.402 176.870 -0.238 0.000 1.157 153 L CA -1.447 53.001 54.840 -0.655 0.000 0.889 153 L CB -0.173 41.586 42.059 -0.500 0.000 1.158 153 L HN 0.355 nan 8.230 nan 0.000 0.473 154 P HA -0.064 nan 4.420 nan 0.000 0.261 154 P C 0.922 178.178 177.300 -0.073 0.000 1.173 154 P CA -0.057 63.025 63.100 -0.030 0.000 0.760 154 P CB 0.474 32.193 31.700 0.032 0.000 0.783 155 V N 3.786 123.654 119.914 -0.076 0.000 2.568 155 V HA -0.241 3.885 4.120 0.011 0.000 0.253 155 V C 2.068 178.071 176.094 -0.153 0.000 1.072 155 V CA 1.520 63.786 62.300 -0.055 0.000 1.084 155 V CB -1.056 30.759 31.823 -0.013 0.000 0.676 155 V HN 0.576 nan 8.190 nan 0.000 0.469 156 I N -0.272 120.136 120.570 -0.270 0.000 2.286 156 I HA -0.226 3.951 4.170 0.011 0.000 0.248 156 I C 2.163 178.015 176.117 -0.441 0.000 1.115 156 I CA 1.676 62.746 61.300 -0.383 0.000 1.392 156 I CB -0.466 37.243 38.000 -0.486 0.000 1.065 156 I HN 0.357 nan 8.210 nan 0.000 0.418 157 Y N -0.988 119.121 120.300 -0.318 0.000 2.263 157 Y HA -0.124 4.433 4.550 0.011 0.000 0.292 157 Y C 2.520 178.051 175.900 -0.615 0.000 1.130 157 Y CA 1.153 58.875 58.100 -0.630 0.000 1.179 157 Y CB -0.453 37.622 38.460 -0.641 0.000 0.998 157 Y HN -0.045 nan 8.280 nan 0.000 0.532 158 V N 0.458 120.304 119.914 -0.114 0.000 2.407 158 V HA -0.315 3.811 4.120 0.011 0.000 0.248 158 V C 2.032 178.243 176.094 0.195 0.000 1.055 158 V CA 1.872 64.214 62.300 0.071 0.000 1.049 158 V CB -0.492 31.422 31.823 0.151 0.000 0.662 158 V HN 0.381 nan 8.190 nan 0.000 0.455 159 K N -0.278 120.146 120.400 0.041 0.000 2.001 159 K HA -0.093 4.234 4.320 0.011 0.000 0.208 159 K C 2.152 178.887 176.600 0.225 0.000 1.048 159 K CA 1.332 57.661 56.287 0.070 0.000 0.932 159 K CB -0.335 31.982 32.500 -0.306 0.000 0.715 159 K HN 0.311 nan 8.250 nan 0.000 0.437 160 L N 0.070 121.287 121.223 -0.010 0.000 2.012 160 L HA -0.235 4.112 4.340 0.011 0.000 0.210 160 L C 2.490 179.485 176.870 0.209 0.000 1.073 160 L CA 1.293 56.143 54.840 0.016 0.000 0.748 160 L CB -0.493 41.513 42.059 -0.089 0.000 0.891 160 L HN 0.189 nan 8.230 nan 0.000 0.431 161 Y N -1.302 119.077 120.300 0.132 0.000 2.163 161 Y HA -0.197 4.360 4.550 0.011 0.000 0.288 161 Y C 2.602 178.530 175.900 0.047 0.000 1.136 161 Y CA 0.691 58.834 58.100 0.073 0.000 1.147 161 Y CB -0.740 37.754 38.460 0.057 0.000 0.987 161 Y HN 0.119 nan 8.280 nan 0.000 0.509 162 M N -1.400 118.387 119.600 0.310 0.000 2.175 162 M HA -0.226 4.261 4.480 0.011 0.000 0.264 162 M C 2.188 178.558 176.300 0.116 0.000 1.063 162 M CA 1.297 56.722 55.300 0.209 0.000 1.119 162 M CB -1.632 31.284 32.600 0.526 0.000 1.377 162 M HN 0.384 nan 8.290 nan 0.000 0.415 163 Y N 1.479 121.715 120.300 -0.107 0.000 2.145 163 Y HA -0.266 4.292 4.550 0.014 0.000 0.286 163 Y C 2.392 178.185 175.900 -0.179 0.000 1.145 163 Y CA 1.974 59.755 58.100 -0.532 0.000 1.148 163 Y CB -0.234 37.830 38.460 -0.661 0.000 0.981 163 Y HN 0.320 nan 8.280 nan 0.000 0.507 164 Q N -0.523 119.295 119.800 0.031 0.000 2.119 164 Q HA -0.168 4.179 4.340 0.011 0.000 0.201 164 Q C 2.167 178.095 176.000 -0.119 0.000 0.972 164 Q CA 1.458 57.245 55.803 -0.028 0.000 0.847 164 Q CB -0.286 28.494 28.738 0.070 0.000 0.903 164 Q HN 0.516 nan 8.270 nan 0.000 0.433 165 L N -0.132 120.994 121.223 -0.162 0.000 2.017 165 L HA -0.123 4.224 4.340 0.011 0.000 0.208 165 L C 1.787 178.483 176.870 -0.290 0.000 1.073 165 L CA 1.718 56.396 54.840 -0.270 0.000 0.745 165 L CB -0.579 41.245 42.059 -0.392 0.000 0.894 165 L HN 0.126 nan 8.230 nan 0.000 0.432 166 F N -0.340 119.511 119.950 -0.165 0.000 2.216 166 F HA -0.159 4.374 4.527 0.009 0.000 0.300 166 F C 2.622 178.294 175.800 -0.215 0.000 1.085 166 F CA 1.008 58.902 58.000 -0.176 0.000 1.326 166 F CB -0.238 38.660 39.000 -0.170 0.000 1.027 166 F HN 0.030 nan 8.300 nan 0.000 0.497 167 R N 0.140 120.563 120.500 -0.128 0.000 2.081 167 R HA -0.153 4.194 4.340 0.011 0.000 0.235 167 R C 2.537 178.721 176.300 -0.193 0.000 1.131 167 R CA 1.683 57.713 56.100 -0.118 0.000 0.960 167 R CB -0.675 29.521 30.300 -0.173 0.000 0.856 167 R HN 0.337 nan 8.270 nan 0.000 0.436 168 S N 0.891 116.446 115.700 -0.242 0.000 2.382 168 S HA -0.101 4.376 4.470 0.011 0.000 0.228 168 S C 2.083 176.591 174.600 -0.153 0.000 1.027 168 S CA 0.915 58.929 58.200 -0.310 0.000 0.991 168 S CB -0.412 62.696 63.200 -0.155 0.000 0.823 168 S HN 0.228 nan 8.310 nan 0.000 0.469 169 L N 1.224 122.347 121.223 -0.167 0.000 2.072 169 L HA 0.040 4.387 4.340 0.011 0.000 0.205 169 L C 3.264 179.925 176.870 -0.349 0.000 1.079 169 L CA 1.045 55.689 54.840 -0.326 0.000 0.752 169 L CB -0.971 40.905 42.059 -0.305 0.000 0.906 169 L HN 0.473 nan 8.230 nan 0.000 0.436 170 A N -0.366 122.389 122.820 -0.108 0.000 1.908 170 A HA -0.305 4.022 4.320 0.011 0.000 0.218 170 A C 2.201 179.812 177.584 0.044 0.000 1.181 170 A CA 1.778 53.820 52.037 0.008 0.000 0.627 170 A CB -0.947 18.108 19.000 0.091 0.000 0.818 170 A HN 0.477 nan 8.150 nan 0.000 0.445 171 Y N 1.232 121.475 120.300 -0.096 0.000 2.114 171 Y HA -0.218 4.346 4.550 0.024 0.000 0.284 171 Y C 2.196 178.164 175.900 0.112 0.000 1.143 171 Y CA 2.214 60.293 58.100 -0.034 0.000 1.135 171 Y CB -0.267 38.069 38.460 -0.207 0.000 0.980 171 Y HN 0.420 nan 8.280 nan 0.000 0.499 172 I N -2.414 118.240 120.570 0.140 0.000 2.315 172 I HA -0.255 3.922 4.170 0.011 0.000 0.248 172 I C 1.937 178.212 176.117 0.263 0.000 1.117 172 I CA 1.878 63.309 61.300 0.219 0.000 1.404 172 I CB -1.007 37.189 38.000 0.326 0.000 1.071 172 I HN 0.259 nan 8.210 nan 0.000 0.419 173 H N 1.477 120.598 119.070 0.085 0.000 2.457 173 H HA -0.096 4.467 4.556 0.011 0.000 0.294 173 H C 2.588 177.900 175.328 -0.027 0.000 1.064 173 H CA 1.123 57.205 56.048 0.057 0.000 1.330 173 H CB 0.114 29.917 29.762 0.068 0.000 1.395 173 H HN 0.574 nan 8.280 nan 0.000 0.541 174 S N 0.424 116.109 115.700 -0.026 0.000 2.474 174 S HA -0.118 4.359 4.470 0.011 0.000 0.235 174 S C 1.204 175.572 174.600 -0.387 0.000 0.997 174 S CA 0.759 58.812 58.200 -0.246 0.000 0.949 174 S CB -0.339 62.619 63.200 -0.403 0.000 0.766 174 S HN 0.237 nan 8.310 nan 0.000 0.517 175 F N 1.631 121.536 119.950 -0.075 0.000 2.664 175 F HA 0.464 4.983 4.527 -0.014 0.000 0.303 175 F C 1.882 177.666 175.800 -0.027 0.000 1.092 175 F CA -0.288 57.666 58.000 -0.076 0.000 1.305 175 F CB 0.060 38.983 39.000 -0.129 0.000 1.054 175 F HN 0.346 nan 8.300 nan 0.000 0.565 176 G N 1.083 109.955 108.800 0.119 0.000 2.162 176 G HA2 -0.324 3.643 3.960 0.011 0.000 0.260 176 G HA3 -0.324 3.643 3.960 0.011 0.000 0.260 176 G C 0.281 175.241 174.900 0.099 0.000 0.976 176 G CA -0.040 45.106 45.100 0.077 0.000 0.655 176 G HN 0.323 nan 8.290 nan 0.000 0.533 177 I N 0.641 121.317 120.570 0.176 0.000 2.342 177 I HA 0.408 4.585 4.170 0.011 0.000 0.291 177 I C 0.793 177.071 176.117 0.268 0.000 1.010 177 I CA -0.701 60.712 61.300 0.189 0.000 1.308 177 I CB 1.353 39.470 38.000 0.196 0.000 1.400 177 I HN 0.214 nan 8.210 nan 0.000 0.488 178 C N 6.240 125.663 119.300 0.206 0.000 2.329 178 C HA 0.306 4.772 4.460 0.011 0.000 0.329 178 C C 1.582 176.727 174.990 0.258 0.000 1.275 178 C CA -0.339 58.826 59.018 0.246 0.000 1.726 178 C CB 0.377 28.209 27.740 0.153 0.000 2.291 178 C HN 0.963 nan 8.230 nan 0.000 0.514 179 H N 3.109 122.296 119.070 0.195 0.000 2.333 179 H HA 0.075 4.637 4.556 0.011 0.000 0.302 179 H C 1.610 176.958 175.328 0.033 0.000 1.075 179 H CA 2.282 58.367 56.048 0.063 0.000 1.348 179 H CB 0.079 29.817 29.762 -0.041 0.000 1.393 179 H HN 0.822 nan 8.280 nan 0.000 0.509 180 R N -1.083 119.554 120.500 0.228 0.000 3.922 180 R HA -0.191 4.155 4.340 0.011 0.000 0.447 180 R C -0.617 175.771 176.300 0.146 0.000 1.035 180 R CA 1.083 57.265 56.100 0.137 0.000 1.289 180 R CB -1.943 28.402 30.300 0.075 0.000 1.906 180 R HN 0.455 nan 8.270 nan 0.000 0.540 181 D N 0.226 120.827 120.400 0.335 0.000 3.078 181 D HA 0.193 4.840 4.640 0.011 0.000 0.363 181 D C -0.504 175.890 176.300 0.158 0.000 1.391 181 D CA -0.301 53.837 54.000 0.231 0.000 0.754 181 D CB 0.336 41.213 40.800 0.129 0.000 1.238 181 D HN 0.030 nan 8.370 nan 0.000 0.500 182 I N 2.555 123.138 120.570 0.022 0.000 2.452 182 I HA 0.196 4.373 4.170 0.011 0.000 0.287 182 I C 0.610 176.559 176.117 -0.280 0.000 1.079 182 I CA 0.369 61.529 61.300 -0.234 0.000 1.387 182 I CB -0.034 37.862 38.000 -0.173 0.000 1.404 182 I HN 0.237 nan 8.210 nan 0.000 0.522 183 K N 6.205 126.359 120.400 -0.409 0.000 2.597 183 K HA 0.472 4.799 4.320 0.011 0.000 0.282 183 K C -2.906 173.436 176.600 -0.431 0.000 0.975 183 K CA -1.302 54.562 56.287 -0.705 0.000 0.867 183 K CB 1.289 33.395 32.500 -0.655 0.000 1.465 183 K HN -0.102 nan 8.250 nan 0.000 0.417 184 P HA -0.215 nan 4.420 nan 0.000 0.217 184 P C 0.792 178.058 177.300 -0.056 0.000 1.151 184 P CA 1.488 64.528 63.100 -0.099 0.000 0.849 184 P CB 0.140 31.905 31.700 0.108 0.000 0.787 185 Q N -1.555 118.181 119.800 -0.107 0.000 2.364 185 Q HA -0.051 4.295 4.340 0.011 0.000 0.207 185 Q C 0.895 176.816 176.000 -0.132 0.000 0.970 185 Q CA 0.715 56.432 55.803 -0.143 0.000 0.888 185 Q CB -0.387 28.186 28.738 -0.275 0.000 0.951 185 Q HN 0.280 nan 8.270 nan 0.000 0.469 186 N N -0.125 118.482 118.700 -0.155 0.000 2.235 186 N HA 0.138 4.885 4.740 0.011 0.000 0.209 186 N C -0.813 174.592 175.510 -0.175 0.000 1.122 186 N CA 0.273 53.236 53.050 -0.146 0.000 0.845 186 N CB 0.679 39.081 38.487 -0.141 0.000 1.004 186 N HN 0.144 nan 8.380 nan 0.000 0.499 187 L N 1.568 122.690 121.223 -0.169 0.000 2.337 187 L HA 0.424 4.771 4.340 0.011 0.000 0.269 187 L C -0.180 176.585 176.870 -0.174 0.000 1.018 187 L CA -0.443 54.287 54.840 -0.183 0.000 0.876 187 L CB 1.069 43.006 42.059 -0.203 0.000 1.236 187 L HN -0.196 nan 8.230 nan 0.000 0.436 188 L N 3.998 125.128 121.223 -0.154 0.000 2.417 188 L HA 0.451 4.797 4.340 0.011 0.000 0.268 188 L C -0.236 176.513 176.870 -0.201 0.000 1.158 188 L CA -0.149 54.594 54.840 -0.161 0.000 0.819 188 L CB 0.859 42.836 42.059 -0.138 0.000 1.112 188 L HN 0.463 nan 8.230 nan 0.000 0.458 189 L N 1.955 123.050 121.223 -0.214 0.000 2.422 189 L HA 0.404 4.751 4.340 0.011 0.000 0.264 189 L C -0.990 175.783 176.870 -0.161 0.000 0.984 189 L CA -0.603 54.097 54.840 -0.233 0.000 0.819 189 L CB 2.527 44.378 42.059 -0.347 0.000 1.330 189 L HN 0.493 nan 8.230 nan 0.000 0.410 190 D N 3.876 124.211 120.400 -0.108 0.000 2.472 190 D HA 0.258 4.905 4.640 0.011 0.000 0.234 190 D C -1.723 174.564 176.300 -0.022 0.000 1.088 190 D CA -2.059 51.903 54.000 -0.065 0.000 0.882 190 D CB 1.812 42.587 40.800 -0.041 0.000 1.037 190 D HN 0.141 nan 8.370 nan 0.000 0.520 191 P HA -0.163 nan 4.420 nan 0.000 0.217 191 P C 0.640 177.960 177.300 0.034 0.000 1.151 191 P CA 1.020 64.118 63.100 -0.004 0.000 0.849 191 P CB 0.611 32.286 31.700 -0.042 0.000 0.787 192 D N -0.681 119.734 120.400 0.026 0.000 2.144 192 D HA -0.089 4.558 4.640 0.011 0.000 0.200 192 D C 1.988 178.321 176.300 0.055 0.000 0.978 192 D CA 2.054 56.077 54.000 0.040 0.000 0.833 192 D CB -0.814 40.002 40.800 0.026 0.000 0.961 192 D HN 0.330 nan 8.370 nan 0.000 0.470 193 T N -2.996 111.587 114.554 0.048 0.000 3.044 193 T HA 0.461 4.817 4.350 0.011 0.000 0.250 193 T C 1.307 176.055 174.700 0.080 0.000 1.081 193 T CA 0.684 62.813 62.100 0.048 0.000 1.040 193 T CB 0.433 69.315 68.868 0.022 0.000 0.962 193 T HN 0.153 nan 8.240 nan 0.000 0.506 194 A N 0.081 122.976 122.820 0.126 0.000 2.945 194 A HA -0.090 4.237 4.320 0.011 0.000 0.251 194 A C 0.372 178.075 177.584 0.198 0.000 1.355 194 A CA 0.599 52.780 52.037 0.240 0.000 0.905 194 A CB -2.629 16.520 19.000 0.248 0.000 1.104 194 A HN 0.613 nan 8.150 nan 0.000 0.733 195 V N 0.353 120.315 119.914 0.081 0.000 2.530 195 V HA 0.528 4.654 4.120 0.011 0.000 0.282 195 V C 0.544 176.629 176.094 -0.016 0.000 1.048 195 V CA 0.524 62.843 62.300 0.030 0.000 0.997 195 V CB 1.525 33.342 31.823 -0.010 0.000 0.987 195 V HN 0.671 nan 8.190 nan 0.000 0.477 196 L N 5.848 127.059 121.223 -0.019 0.000 2.329 196 L HA 0.642 4.988 4.340 0.011 0.000 0.279 196 L C -0.406 176.424 176.870 -0.068 0.000 1.014 196 L CA -0.398 54.386 54.840 -0.095 0.000 0.814 196 L CB 1.353 43.358 42.059 -0.089 0.000 1.257 196 L HN 0.568 nan 8.230 nan 0.000 0.424 197 K N 5.159 125.508 120.400 -0.085 0.000 2.507 197 K HA 0.356 4.683 4.320 0.011 0.000 0.252 197 K C -1.335 175.239 176.600 -0.045 0.000 0.943 197 K CA -0.801 55.461 56.287 -0.043 0.000 0.808 197 K CB 2.226 34.706 32.500 -0.034 0.000 1.142 197 K HN 0.442 nan 8.250 nan 0.000 0.426 198 L N 4.248 125.463 121.223 -0.014 0.000 2.416 198 L HA 0.232 4.579 4.340 0.011 0.000 0.272 198 L C -0.238 176.679 176.870 0.078 0.000 1.161 198 L CA 0.309 55.126 54.840 -0.038 0.000 0.845 198 L CB 0.212 42.251 42.059 -0.034 0.000 1.119 198 L HN 0.907 nan 8.230 nan 0.000 0.464 199 C N 2.154 121.444 119.300 -0.016 0.000 3.307 199 C HA 0.733 5.200 4.460 0.011 0.000 0.350 199 C C -0.229 174.731 174.990 -0.050 0.000 1.549 199 C CA -0.532 58.529 59.018 0.071 0.000 1.396 199 C CB 1.224 28.990 27.740 0.044 0.000 1.970 199 C HN 0.999 nan 8.230 nan 0.000 0.441 200 D N -0.386 120.033 120.400 0.031 0.000 3.729 200 D HA -0.168 4.479 4.640 0.011 0.000 0.242 200 D C -0.629 175.501 176.300 -0.285 0.000 1.091 200 D CA 0.443 54.426 54.000 -0.029 0.000 1.096 200 D CB -1.201 39.589 40.800 -0.016 0.000 0.901 200 D HN 0.597 nan 8.370 nan 0.000 0.416 201 F N 0.537 120.445 119.950 -0.070 0.000 2.713 201 F HA 0.372 4.904 4.527 0.009 0.000 0.294 201 F C 2.259 177.957 175.800 -0.169 0.000 1.152 201 F CA 0.207 58.101 58.000 -0.178 0.000 1.385 201 F CB 0.573 39.517 39.000 -0.092 0.000 0.981 201 F HN 0.378 nan 8.300 nan 0.000 0.514 202 G N -0.878 107.886 108.800 -0.059 0.000 2.559 202 G HA2 -0.137 3.830 3.960 0.011 0.000 0.216 202 G HA3 -0.137 3.830 3.960 0.011 0.000 0.216 202 G C 1.486 176.336 174.900 -0.084 0.000 1.126 202 G CA 0.789 45.845 45.100 -0.074 0.000 0.778 202 G HN 0.341 nan 8.290 nan 0.000 0.543 203 S N -0.424 115.210 115.700 -0.109 0.000 2.578 203 S HA 0.535 5.011 4.470 0.011 0.000 0.228 203 S C 1.165 175.717 174.600 -0.080 0.000 1.022 203 S CA -0.005 58.157 58.200 -0.064 0.000 0.967 203 S CB 0.671 63.849 63.200 -0.036 0.000 0.914 203 S HN 0.576 nan 8.310 nan 0.000 0.515 204 A N 2.264 125.013 122.820 -0.117 0.000 2.483 204 A HA 0.543 4.870 4.320 0.011 0.000 0.238 204 A C 0.214 177.815 177.584 0.029 0.000 1.070 204 A CA 0.341 52.367 52.037 -0.019 0.000 0.770 204 A CB 0.200 19.272 19.000 0.121 0.000 1.008 204 A HN 0.337 nan 8.150 nan 0.000 0.497 205 K N 0.904 121.339 120.400 0.058 0.000 2.572 205 K HA 0.288 4.615 4.320 0.011 0.000 0.263 205 K C -0.957 175.672 176.600 0.048 0.000 0.932 205 K CA -0.477 55.832 56.287 0.037 0.000 0.838 205 K CB 1.279 33.790 32.500 0.018 0.000 1.366 205 K HN 0.853 nan 8.250 nan 0.000 0.425 206 Q N 4.712 124.529 119.800 0.028 0.000 2.293 206 Q HA 0.252 4.598 4.340 0.011 0.000 0.263 206 Q C -1.151 174.849 176.000 0.000 0.000 1.002 206 Q CA -0.298 55.523 55.803 0.029 0.000 0.910 206 Q CB 0.623 29.375 28.738 0.022 0.000 1.185 206 Q HN 0.483 nan 8.270 nan 0.000 0.401 207 L N 4.830 126.048 121.223 -0.008 0.000 2.265 207 L HA 0.423 4.770 4.340 0.011 0.000 0.288 207 L C -0.777 176.063 176.870 -0.050 0.000 1.058 207 L CA -1.000 53.808 54.840 -0.053 0.000 0.809 207 L CB 1.325 43.342 42.059 -0.070 0.000 1.179 207 L HN 0.491 nan 8.230 nan 0.000 0.429 208 V N 3.313 123.189 119.914 -0.063 0.000 2.384 208 V HA 0.307 4.434 4.120 0.011 0.000 0.287 208 V C 0.340 176.397 176.094 -0.061 0.000 1.020 208 V CA -0.873 61.398 62.300 -0.048 0.000 0.850 208 V CB 1.449 33.250 31.823 -0.037 0.000 0.987 208 V HN 0.689 nan 8.190 nan 0.000 0.436 209 R N 3.856 124.327 120.500 -0.049 0.000 2.494 209 R HA 0.284 4.630 4.340 0.011 0.000 0.291 209 R C 1.283 177.555 176.300 -0.047 0.000 0.953 209 R CA 1.579 57.650 56.100 -0.049 0.000 1.098 209 R CB -0.429 29.852 30.300 -0.032 0.000 0.911 209 R HN 1.264 nan 8.270 nan 0.000 0.407 210 G N 2.694 111.461 108.800 -0.054 0.000 2.241 210 G HA2 -0.283 3.684 3.960 0.011 0.000 0.244 210 G HA3 -0.283 3.684 3.960 0.011 0.000 0.244 210 G C -0.292 174.576 174.900 -0.053 0.000 0.998 210 G CA 0.319 45.392 45.100 -0.045 0.000 0.621 210 G HN 0.612 nan 8.290 nan 0.000 0.519 211 E N 2.427 122.586 120.200 -0.069 0.000 2.200 211 E HA 0.432 4.789 4.350 0.011 0.000 0.283 211 E C -2.101 174.434 176.600 -0.108 0.000 1.015 211 E CA -1.737 54.619 56.400 -0.072 0.000 0.819 211 E CB 1.605 31.265 29.700 -0.067 0.000 1.081 211 E HN 0.266 nan 8.360 nan 0.000 0.397 212 P HA 0.096 nan 4.420 nan 0.000 0.274 212 P C -0.858 176.359 177.300 -0.139 0.000 1.231 212 P CA -0.253 62.781 63.100 -0.110 0.000 0.790 212 P CB 0.894 32.562 31.700 -0.054 0.000 0.951 213 N N -0.076 118.506 118.700 -0.197 0.000 2.284 213 N HA 0.250 4.997 4.740 0.011 0.000 0.289 213 N C -0.708 174.775 175.510 -0.046 0.000 1.179 213 N CA -0.614 52.330 53.050 -0.176 0.000 0.774 213 N CB 2.541 40.814 38.487 -0.357 0.000 1.548 213 N HN 0.222 nan 8.380 nan 0.000 0.473 214 V N -0.041 119.826 119.914 -0.079 0.000 2.673 214 V HA 0.134 4.261 4.120 0.011 0.000 0.303 214 V C 1.312 177.338 176.094 -0.114 0.000 1.046 214 V CA 0.035 62.190 62.300 -0.242 0.000 1.126 214 V CB 0.751 32.082 31.823 -0.820 0.000 0.934 214 V HN 0.832 nan 8.190 nan 0.000 0.487 215 S N 2.502 118.155 115.700 -0.078 0.000 2.575 215 S HA 0.077 4.554 4.470 0.011 0.000 0.215 215 S C 0.885 175.465 174.600 -0.033 0.000 0.966 215 S CA 0.360 58.553 58.200 -0.012 0.000 0.911 215 S CB -0.696 62.551 63.200 0.078 0.000 0.780 215 S HN 1.141 nan 8.310 nan 0.000 0.514 216 Y N 1.092 121.421 120.300 0.048 0.000 2.532 216 Y HA 0.602 5.161 4.550 0.016 0.000 0.283 216 Y C 0.146 176.060 175.900 0.024 0.000 1.181 216 Y CA -2.146 55.972 58.100 0.029 0.000 1.256 216 Y CB -1.192 37.292 38.460 0.040 0.000 1.112 216 Y HN 0.234 nan 8.280 nan 0.000 0.521 217 I N -1.866 118.688 120.570 -0.028 0.000 3.244 217 I HA 0.534 4.711 4.170 0.011 0.000 0.314 217 I C 0.589 176.719 176.117 0.022 0.000 1.043 217 I CA -1.801 59.513 61.300 0.023 0.000 1.099 217 I CB 0.281 38.267 38.000 -0.023 0.000 1.449 217 I HN 0.165 nan 8.210 nan 0.000 0.625 218 C N 1.360 120.691 119.300 0.051 0.000 0.169 218 C HA -0.098 4.369 4.460 0.011 0.000 0.017 218 C C 0.494 175.542 174.990 0.098 0.000 0.171 218 C CA 0.054 59.118 59.018 0.076 0.000 0.502 218 C CB -2.085 25.688 27.740 0.055 0.000 3.212 218 C HN 1.055 nan 8.230 nan 0.000 1.118 219 S N 5.092 120.873 115.700 0.136 0.000 2.580 219 S HA 0.471 4.948 4.470 0.011 0.000 0.274 219 S C 0.273 174.971 174.600 0.163 0.000 1.329 219 S CA -0.160 58.120 58.200 0.133 0.000 1.036 219 S CB 0.788 64.075 63.200 0.145 0.000 0.919 219 S HN 0.923 nan 8.310 nan 0.000 0.515 220 R N 1.052 121.566 120.500 0.023 0.000 2.640 220 R HA 0.054 4.401 4.340 0.011 0.000 0.270 220 R C -0.515 175.745 176.300 -0.067 0.000 1.024 220 R CA 0.115 56.199 56.100 -0.027 0.000 1.085 220 R CB -0.248 29.967 30.300 -0.143 0.000 0.963 220 R HN 0.717 nan 8.270 nan 0.000 0.426 221 Y N -0.400 119.846 120.300 -0.090 0.000 3.289 221 Y HA -0.278 4.279 4.550 0.011 0.000 0.420 221 Y C 0.431 176.083 175.900 -0.413 0.000 1.397 221 Y CA 1.161 59.069 58.100 -0.320 0.000 1.969 221 Y CB -2.005 36.056 38.460 -0.665 0.000 0.897 221 Y HN 0.778 nan 8.280 nan 0.000 0.437 222 Y N 0.182 120.702 120.300 0.367 0.000 2.467 222 Y HA 0.375 4.932 4.550 0.011 0.000 0.250 222 Y C 1.094 177.218 175.900 0.374 0.000 1.155 222 Y CA -0.620 57.688 58.100 0.346 0.000 1.249 222 Y CB 0.220 38.810 38.460 0.217 0.000 1.146 222 Y HN -0.154 nan 8.280 nan 0.000 0.524 223 R N 1.529 122.222 120.500 0.323 0.000 2.401 223 R HA 0.418 4.765 4.340 0.011 0.000 0.299 223 R C 0.408 176.654 176.300 -0.090 0.000 1.064 223 R CA -0.130 56.045 56.100 0.125 0.000 1.000 223 R CB 0.491 30.805 30.300 0.023 0.000 0.973 223 R HN 0.195 nan 8.270 nan 0.000 0.438 224 A N 5.867 128.500 122.820 -0.311 0.000 2.483 224 A HA 0.149 4.475 4.320 0.011 0.000 0.238 224 A C -1.309 175.805 177.584 -0.783 0.000 1.070 224 A CA -1.221 50.234 52.037 -0.969 0.000 0.770 224 A CB 0.033 18.753 19.000 -0.466 0.000 1.008 224 A HN 0.593 nan 8.150 nan 0.000 0.497 225 P HA -0.237 nan 4.420 nan 0.000 0.216 225 P C 1.086 178.235 177.300 -0.251 0.000 1.150 225 P CA 1.725 64.487 63.100 -0.563 0.000 0.837 225 P CB -0.026 31.420 31.700 -0.424 0.000 0.786 226 E N 0.540 120.643 120.200 -0.162 0.000 2.204 226 E HA -0.148 4.209 4.350 0.011 0.000 0.195 226 E C 2.152 178.697 176.600 -0.093 0.000 0.990 226 E CA 0.968 57.356 56.400 -0.020 0.000 0.821 226 E CB -1.225 28.466 29.700 -0.015 0.000 0.750 226 E HN 0.305 nan 8.360 nan 0.000 0.477 227 L N 0.433 121.531 121.223 -0.209 0.000 2.072 227 L HA -0.051 4.296 4.340 0.011 0.000 0.205 227 L C 2.777 179.542 176.870 -0.174 0.000 1.079 227 L CA 0.797 55.508 54.840 -0.215 0.000 0.752 227 L CB -0.343 41.551 42.059 -0.274 0.000 0.906 227 L HN 0.043 nan 8.230 nan 0.000 0.436 228 I N -0.817 119.605 120.570 -0.246 0.000 2.286 228 I HA -0.298 3.878 4.170 0.011 0.000 0.248 228 I C 1.885 177.823 176.117 -0.300 0.000 1.115 228 I CA 1.556 62.698 61.300 -0.264 0.000 1.392 228 I CB -0.226 37.538 38.000 -0.394 0.000 1.065 228 I HN 0.114 nan 8.210 nan 0.000 0.418 229 F N 0.864 120.617 119.950 -0.328 0.000 2.802 229 F HA 0.116 4.649 4.527 0.010 0.000 0.300 229 F C 1.798 176.808 175.800 -1.316 0.000 1.168 229 F CA 0.422 57.958 58.000 -0.774 0.000 1.433 229 F CB -0.108 38.575 39.000 -0.528 0.000 1.115 229 F HN 0.233 nan 8.300 nan 0.000 0.582 230 G N 0.727 109.301 108.800 -0.376 0.000 2.153 230 G HA2 -0.236 3.731 3.960 0.011 0.000 0.252 230 G HA3 -0.236 3.731 3.960 0.011 0.000 0.252 230 G C 0.350 175.244 174.900 -0.010 0.000 0.994 230 G CA -0.108 44.930 45.100 -0.104 0.000 0.698 230 G HN 0.625 nan 8.290 nan 0.000 0.521 231 A N -0.265 122.543 122.820 -0.021 0.000 2.483 231 A HA 0.662 4.988 4.320 0.011 0.000 0.238 231 A C 1.487 179.191 177.584 0.200 0.000 1.070 231 A CA 1.525 53.610 52.037 0.079 0.000 0.770 231 A CB 0.333 19.386 19.000 0.089 0.000 1.008 231 A HN 1.585 nan 8.150 nan 0.000 0.497 232 T N -2.230 112.404 114.554 0.132 0.000 3.043 232 T HA 0.141 4.498 4.350 0.011 0.000 0.272 232 T C 0.154 174.775 174.700 -0.131 0.000 0.990 232 T CA 0.528 62.666 62.100 0.062 0.000 0.897 232 T CB 0.039 68.925 68.868 0.031 0.000 1.111 232 T HN 0.678 nan 8.240 nan 0.000 0.529 233 D N 1.098 121.459 120.400 -0.066 0.000 2.463 233 D HA 0.095 4.742 4.640 0.011 0.000 0.224 233 D C 0.359 176.596 176.300 -0.105 0.000 1.174 233 D CA -0.818 53.108 54.000 -0.124 0.000 0.829 233 D CB -0.964 39.808 40.800 -0.046 0.000 0.993 233 D HN 0.621 nan 8.370 nan 0.000 0.497 234 Y N 0.575 120.861 120.300 -0.023 0.000 2.385 234 Y HA 0.448 5.009 4.550 0.018 0.000 0.346 234 Y C 0.959 176.847 175.900 -0.020 0.000 1.270 234 Y CA -0.738 57.350 58.100 -0.020 0.000 1.472 234 Y CB 0.084 38.529 38.460 -0.024 0.000 1.354 234 Y HN -0.039 nan 8.280 nan 0.000 0.611 235 T N -2.898 111.775 114.554 0.198 0.000 2.804 235 T HA 0.324 4.681 4.350 0.011 0.000 0.272 235 T C 0.717 175.490 174.700 0.122 0.000 0.986 235 T CA -0.440 61.711 62.100 0.085 0.000 0.999 235 T CB 0.969 69.857 68.868 0.033 0.000 1.307 235 T HN 0.612 nan 8.240 nan 0.000 0.586 236 S N 0.786 116.465 115.700 -0.036 0.000 2.500 236 S HA -0.061 4.416 4.470 0.011 0.000 0.239 236 S C 2.110 176.677 174.600 -0.056 0.000 0.989 236 S CA 1.080 59.159 58.200 -0.203 0.000 0.951 236 S CB -0.749 62.006 63.200 -0.742 0.000 0.759 236 S HN 0.884 nan 8.310 nan 0.000 0.523 237 S N 2.089 117.822 115.700 0.055 0.000 2.547 237 S HA -0.058 4.419 4.470 0.011 0.000 0.235 237 S C 1.692 176.422 174.600 0.217 0.000 0.980 237 S CA 0.682 58.976 58.200 0.158 0.000 0.941 237 S CB -0.985 62.301 63.200 0.144 0.000 0.763 237 S HN 0.772 nan 8.310 nan 0.000 0.532 238 I N -1.126 119.552 120.570 0.181 0.000 2.546 238 I HA -0.002 4.175 4.170 0.011 0.000 0.255 238 I C 1.459 177.727 176.117 0.252 0.000 1.163 238 I CA 1.262 62.661 61.300 0.166 0.000 1.457 238 I CB -0.410 37.594 38.000 0.006 0.000 1.092 238 I HN -0.031 nan 8.210 nan 0.000 0.434 239 D N 1.429 121.991 120.400 0.270 0.000 2.183 239 D HA -0.064 4.583 4.640 0.011 0.000 0.203 239 D C 2.474 178.951 176.300 0.296 0.000 0.969 239 D CA 1.068 55.241 54.000 0.289 0.000 0.842 239 D CB 0.014 41.054 40.800 0.399 0.000 0.957 239 D HN 0.304 nan 8.370 nan 0.000 0.484 240 V N 0.727 120.853 119.914 0.352 0.000 2.453 240 V HA -0.150 3.977 4.120 0.011 0.000 0.247 240 V C 2.113 178.408 176.094 0.334 0.000 1.048 240 V CA 0.972 63.488 62.300 0.361 0.000 1.049 240 V CB -0.340 31.681 31.823 0.330 0.000 0.672 240 V HN 0.397 nan 8.190 nan 0.000 0.457 241 W N 1.112 122.521 121.300 0.182 0.000 2.355 241 W HA -0.193 4.473 4.660 0.010 0.000 0.309 241 W C 2.443 179.083 176.519 0.202 0.000 1.206 241 W CA 1.985 59.436 57.345 0.178 0.000 1.284 241 W CB -0.515 29.032 29.460 0.146 0.000 1.145 241 W HN 0.316 nan 8.180 nan 0.000 0.502 242 S N 1.190 117.156 115.700 0.443 0.000 2.370 242 S HA -0.194 4.283 4.470 0.011 0.000 0.226 242 S C 2.153 176.852 174.600 0.165 0.000 1.033 242 S CA 1.972 60.383 58.200 0.351 0.000 1.011 242 S CB -0.908 62.461 63.200 0.282 0.000 0.852 242 S HN 0.377 nan 8.310 nan 0.000 0.457 243 A N 1.444 124.319 122.820 0.092 0.000 1.902 243 A HA 0.042 4.368 4.320 0.011 0.000 0.217 243 A C 2.346 179.933 177.584 0.004 0.000 1.181 243 A CA 1.757 53.770 52.037 -0.041 0.000 0.623 243 A CB -1.403 17.521 19.000 -0.126 0.000 0.818 243 A HN 0.531 nan 8.150 nan 0.000 0.443 244 G N -1.186 107.634 108.800 0.034 0.000 2.432 244 G HA2 -0.229 3.737 3.960 0.011 0.000 0.219 244 G HA3 -0.229 3.737 3.960 0.011 0.000 0.219 244 G C 1.509 176.336 174.900 -0.121 0.000 1.135 244 G CA 1.273 46.335 45.100 -0.064 0.000 0.767 244 G HN 0.526 nan 8.290 nan 0.000 0.550 245 C N -0.235 119.009 119.300 -0.093 0.000 2.450 245 C HA 0.066 4.532 4.460 0.011 0.000 0.279 245 C C 3.027 178.081 174.990 0.107 0.000 1.335 245 C CA 0.486 59.490 59.018 -0.022 0.000 1.749 245 C CB -0.708 27.130 27.740 0.163 0.000 1.963 245 C HN 0.295 nan 8.230 nan 0.000 0.501 246 V N 0.915 120.912 119.914 0.139 0.000 2.307 246 V HA -0.176 3.951 4.120 0.011 0.000 0.245 246 V C 2.358 178.480 176.094 0.047 0.000 1.045 246 V CA 1.876 64.241 62.300 0.109 0.000 1.024 246 V CB -0.752 31.065 31.823 -0.010 0.000 0.651 246 V HN 0.510 nan 8.190 nan 0.000 0.449 247 L N 1.223 122.447 121.223 0.000 0.000 1.989 247 L HA -0.133 4.214 4.340 0.011 0.000 0.211 247 L C 2.465 179.298 176.870 -0.061 0.000 1.071 247 L CA 2.577 57.397 54.840 -0.033 0.000 0.749 247 L CB -1.062 40.954 42.059 -0.072 0.000 0.890 247 L HN 0.214 nan 8.230 nan 0.000 0.431 248 A N -0.774 122.024 122.820 -0.037 0.000 1.908 248 A HA -0.300 4.027 4.320 0.011 0.000 0.218 248 A C 2.334 179.981 177.584 0.105 0.000 1.181 248 A CA 1.916 54.011 52.037 0.096 0.000 0.627 248 A CB -0.837 18.210 19.000 0.078 0.000 0.818 248 A HN 0.681 nan 8.150 nan 0.000 0.445 249 E N -0.183 120.043 120.200 0.044 0.000 2.110 249 E HA -0.139 4.218 4.350 0.011 0.000 0.193 249 E C 1.849 178.486 176.600 0.061 0.000 0.988 249 E CA 1.035 57.468 56.400 0.055 0.000 0.804 249 E CB -0.215 29.551 29.700 0.110 0.000 0.745 249 E HN 0.637 nan 8.360 nan 0.000 0.458 250 L N 0.400 121.653 121.223 0.050 0.000 2.156 250 L HA -0.125 4.222 4.340 0.011 0.000 0.208 250 L C 2.382 179.258 176.870 0.009 0.000 1.095 250 L CA 0.570 55.432 54.840 0.037 0.000 0.770 250 L CB -0.202 41.888 42.059 0.051 0.000 0.914 250 L HN 0.264 nan 8.230 nan 0.000 0.439 251 L N -0.904 120.312 121.223 -0.011 0.000 2.095 251 L HA -0.140 4.206 4.340 0.011 0.000 0.204 251 L C 2.345 179.269 176.870 0.091 0.000 1.080 251 L CA 0.896 55.709 54.840 -0.045 0.000 0.759 251 L CB -0.212 41.673 42.059 -0.290 0.000 0.914 251 L HN 0.234 nan 8.230 nan 0.000 0.439 252 L N -0.808 120.514 121.223 0.165 0.000 2.162 252 L HA 0.070 4.417 4.340 0.011 0.000 0.205 252 L C 1.588 178.498 176.870 0.066 0.000 1.086 252 L CA 0.993 55.920 54.840 0.145 0.000 0.778 252 L CB -0.331 41.784 42.059 0.093 0.000 0.928 252 L HN 0.495 nan 8.230 nan 0.000 0.446 253 G N -0.162 108.669 108.800 0.052 0.000 2.176 253 G HA2 -0.205 3.762 3.960 0.011 0.000 0.232 253 G HA3 -0.205 3.762 3.960 0.011 0.000 0.232 253 G C 0.052 174.968 174.900 0.026 0.000 0.986 253 G CA 0.246 45.371 45.100 0.041 0.000 0.643 253 G HN 0.480 nan 8.290 nan 0.000 0.522 254 Q N -1.538 118.270 119.800 0.013 0.000 2.633 254 Q HA 0.606 4.953 4.340 0.011 0.000 0.289 254 Q C -3.395 172.576 176.000 -0.048 0.000 0.940 254 Q CA -2.126 53.672 55.803 -0.009 0.000 0.785 254 Q CB 1.223 29.942 28.738 -0.031 0.000 1.467 254 Q HN 0.075 nan 8.270 nan 0.000 0.401 255 P HA 0.038 nan 4.420 nan 0.000 0.265 255 P C -0.116 177.007 177.300 -0.295 0.000 1.187 255 P CA 0.171 63.148 63.100 -0.204 0.000 0.766 255 P CB 0.555 32.004 31.700 -0.419 0.000 0.820 256 I N 1.710 122.051 120.570 -0.382 0.000 2.716 256 I HA 0.068 4.244 4.170 0.011 0.000 0.259 256 I C 0.174 175.922 176.117 -0.615 0.000 1.172 256 I CA 0.647 61.607 61.300 -0.567 0.000 1.478 256 I CB 0.195 37.714 38.000 -0.802 0.000 1.104 256 I HN 0.183 nan 8.210 nan 0.000 0.439 257 F N 2.911 122.748 119.950 -0.188 0.000 2.523 257 F HA 0.410 4.943 4.527 0.011 0.000 0.322 257 F C -2.259 173.381 175.800 -0.267 0.000 1.361 257 F CA -2.210 55.702 58.000 -0.146 0.000 1.151 257 F CB 0.254 39.256 39.000 0.003 0.000 1.391 257 F HN -0.050 nan 8.300 nan 0.000 0.566 258 P HA 0.523 nan 4.420 nan 0.000 0.274 258 P C -0.050 177.211 177.300 -0.064 0.000 1.256 258 P CA -0.066 62.717 63.100 -0.528 0.000 0.795 258 P CB 1.898 33.286 31.700 -0.520 0.000 1.038 259 G N 0.091 108.966 108.800 0.126 0.000 2.308 259 G HA2 0.056 4.023 3.960 0.011 0.000 0.288 259 G HA3 0.056 4.023 3.960 0.011 0.000 0.288 259 G C -0.373 174.649 174.900 0.204 0.000 1.722 259 G CA -0.452 44.736 45.100 0.148 0.000 0.924 259 G HN 0.318 nan 8.290 nan 0.000 0.732 260 D N -0.253 120.226 120.400 0.131 0.000 2.323 260 D HA 0.129 4.776 4.640 0.011 0.000 0.209 260 D C 1.667 178.011 176.300 0.072 0.000 0.973 260 D CA 1.536 55.597 54.000 0.101 0.000 0.874 260 D CB 0.646 41.489 40.800 0.073 0.000 0.930 260 D HN 0.684 nan 8.370 nan 0.000 0.521 261 S N -2.058 113.686 115.700 0.072 0.000 2.632 261 S HA 0.567 5.044 4.470 0.011 0.000 0.289 261 S C 1.300 175.936 174.600 0.059 0.000 1.115 261 S CA -0.305 57.929 58.200 0.057 0.000 0.889 261 S CB 1.829 65.059 63.200 0.050 0.000 1.116 261 S HN -0.041 nan 8.310 nan 0.000 0.486 262 G N 0.628 109.457 108.800 0.047 0.000 2.422 262 G HA2 -0.112 3.855 3.960 0.011 0.000 0.218 262 G HA3 -0.112 3.855 3.960 0.011 0.000 0.218 262 G C 1.160 176.081 174.900 0.034 0.000 1.146 262 G CA 1.054 46.166 45.100 0.021 0.000 0.769 262 G HN 0.683 nan 8.290 nan 0.000 0.547 263 V N 1.398 121.364 119.914 0.087 0.000 2.343 263 V HA -0.173 3.954 4.120 0.011 0.000 0.247 263 V C 2.585 178.777 176.094 0.164 0.000 1.051 263 V CA 2.181 64.585 62.300 0.174 0.000 1.036 263 V CB -0.397 31.504 31.823 0.130 0.000 0.654 263 V HN 0.287 nan 8.190 nan 0.000 0.451 264 D N -0.384 120.076 120.400 0.101 0.000 2.097 264 D HA -0.188 4.459 4.640 0.011 0.000 0.195 264 D C 2.322 178.658 176.300 0.061 0.000 0.989 264 D CA 1.312 55.363 54.000 0.085 0.000 0.827 264 D CB -0.254 40.590 40.800 0.073 0.000 0.966 264 D HN 0.515 nan 8.370 nan 0.000 0.456 265 Q N 0.118 119.947 119.800 0.049 0.000 2.061 265 Q HA -0.090 4.257 4.340 0.011 0.000 0.204 265 Q C 2.528 178.484 176.000 -0.073 0.000 0.984 265 Q CA 0.810 56.629 55.803 0.027 0.000 0.846 265 Q CB -0.135 28.626 28.738 0.038 0.000 0.902 265 Q HN 0.286 nan 8.270 nan 0.000 0.421 266 L N -0.287 120.863 121.223 -0.121 0.000 2.083 266 L HA -0.186 4.160 4.340 0.011 0.000 0.209 266 L C 2.270 178.974 176.870 -0.276 0.000 1.083 266 L CA 0.679 55.355 54.840 -0.273 0.000 0.752 266 L CB -0.311 41.536 42.059 -0.353 0.000 0.899 266 L HN 0.133 nan 8.230 nan 0.000 0.433 267 V N -0.537 119.323 119.914 -0.089 0.000 2.427 267 V HA -0.219 3.908 4.120 0.011 0.000 0.248 267 V C 2.456 178.527 176.094 -0.038 0.000 1.051 267 V CA 1.479 63.769 62.300 -0.016 0.000 1.048 267 V CB -0.401 31.507 31.823 0.142 0.000 0.666 267 V HN 0.424 nan 8.190 nan 0.000 0.456 268 E N -0.159 120.031 120.200 -0.016 0.000 2.150 268 E HA -0.107 4.250 4.350 0.011 0.000 0.193 268 E C 2.124 178.734 176.600 0.016 0.000 0.985 268 E CA 1.113 57.540 56.400 0.046 0.000 0.814 268 E CB -0.137 29.642 29.700 0.132 0.000 0.752 268 E HN 0.575 nan 8.360 nan 0.000 0.466 269 I N 0.502 120.926 120.570 -0.242 0.000 2.286 269 I HA -0.188 3.989 4.170 0.011 0.000 0.245 269 I C 2.348 178.347 176.117 -0.197 0.000 1.104 269 I CA 0.664 61.646 61.300 -0.531 0.000 1.397 269 I CB -0.142 37.496 38.000 -0.602 0.000 1.072 269 I HN 0.006 nan 8.210 nan 0.000 0.417 270 I N 0.744 121.237 120.570 -0.128 0.000 2.361 270 I HA -0.278 3.899 4.170 0.011 0.000 0.251 270 I C 2.414 178.509 176.117 -0.037 0.000 1.133 270 I CA 1.332 62.605 61.300 -0.046 0.000 1.413 270 I CB -0.291 37.616 38.000 -0.155 0.000 1.073 270 I HN 0.151 nan 8.210 nan 0.000 0.424 271 K N 0.079 120.451 120.400 -0.047 0.000 2.147 271 K HA -0.119 4.208 4.320 0.011 0.000 0.205 271 K C 1.999 178.563 176.600 -0.059 0.000 1.049 271 K CA 1.204 57.459 56.287 -0.052 0.000 0.936 271 K CB -0.019 32.453 32.500 -0.047 0.000 0.722 271 K HN 0.230 nan 8.250 nan 0.000 0.446 272 V N 1.162 121.032 119.914 -0.072 0.000 2.436 272 V HA -0.096 4.031 4.120 0.011 0.000 0.240 272 V C 2.011 177.931 176.094 -0.291 0.000 1.040 272 V CA 1.082 63.255 62.300 -0.211 0.000 1.052 272 V CB -0.174 31.483 31.823 -0.278 0.000 0.707 272 V HN 0.212 nan 8.190 nan 0.000 0.469 273 L N 0.182 121.287 121.223 -0.197 0.000 2.492 273 L HA 0.375 4.721 4.340 0.011 0.000 0.223 273 L C 1.156 178.055 176.870 0.048 0.000 1.132 273 L CA 0.769 55.525 54.840 -0.140 0.000 0.850 273 L CB -0.831 41.017 42.059 -0.352 0.000 0.966 273 L HN 0.576 nan 8.230 nan 0.000 0.454 274 G N 0.192 109.024 108.800 0.053 0.000 2.781 274 G HA2 -0.216 3.751 3.960 0.011 0.000 0.683 274 G HA3 -0.216 3.751 3.960 0.011 0.000 0.683 274 G C -0.178 174.809 174.900 0.145 0.000 1.390 274 G CA -0.646 44.503 45.100 0.082 0.000 0.850 274 G HN 0.006 nan 8.290 nan 0.000 0.557 275 T N 3.778 118.361 114.554 0.049 0.000 2.902 275 T HA 0.441 4.798 4.350 0.011 0.000 0.301 275 T C -1.453 173.174 174.700 -0.122 0.000 1.012 275 T CA 0.494 62.574 62.100 -0.034 0.000 1.151 275 T CB 0.954 69.806 68.868 -0.026 0.000 0.946 275 T HN 0.660 nan 8.240 nan 0.000 0.542 276 P HA 0.155 nan 4.420 nan 0.000 0.276 276 P C 0.150 177.233 177.300 -0.362 0.000 1.235 276 P CA -0.352 62.354 63.100 -0.657 0.000 0.772 276 P CB 0.410 31.430 31.700 -1.133 0.000 0.871 277 T N 2.516 116.924 114.554 -0.243 0.000 2.791 277 T HA 0.001 4.357 4.350 0.011 0.000 0.323 277 T C 1.705 176.263 174.700 -0.237 0.000 1.082 277 T CA -0.002 61.996 62.100 -0.170 0.000 1.084 277 T CB 0.294 69.109 68.868 -0.088 0.000 0.992 277 T HN 0.390 nan 8.240 nan 0.000 0.547 278 R N 0.478 120.860 120.500 -0.197 0.000 2.096 278 R HA -0.078 4.269 4.340 0.011 0.000 0.235 278 R C 2.331 178.520 176.300 -0.186 0.000 1.127 278 R CA 1.134 57.093 56.100 -0.234 0.000 0.968 278 R CB -0.008 30.210 30.300 -0.135 0.000 0.861 278 R HN 0.571 nan 8.270 nan 0.000 0.440 279 E N 0.581 120.710 120.200 -0.118 0.000 2.072 279 E HA -0.203 4.153 4.350 0.011 0.000 0.191 279 E C 1.923 178.463 176.600 -0.099 0.000 0.985 279 E CA 1.296 57.648 56.400 -0.081 0.000 0.801 279 E CB 0.081 29.756 29.700 -0.042 0.000 0.750 279 E HN 0.440 nan 8.360 nan 0.000 0.452 280 Q N 0.004 119.731 119.800 -0.123 0.000 2.084 280 Q HA -0.120 4.227 4.340 0.011 0.000 0.202 280 Q C 2.389 178.263 176.000 -0.210 0.000 0.978 280 Q CA 1.177 56.906 55.803 -0.123 0.000 0.844 280 Q CB -0.099 28.553 28.738 -0.144 0.000 0.898 280 Q HN 0.306 nan 8.270 nan 0.000 0.426 281 I N 0.252 120.623 120.570 -0.332 0.000 2.286 281 I HA -0.285 3.892 4.170 0.011 0.000 0.248 281 I C 2.627 178.556 176.117 -0.313 0.000 1.115 281 I CA 0.997 62.019 61.300 -0.463 0.000 1.392 281 I CB -0.239 37.375 38.000 -0.644 0.000 1.065 281 I HN 0.158 nan 8.210 nan 0.000 0.418 282 R N 0.939 121.321 120.500 -0.197 0.000 2.092 282 R HA -0.160 4.187 4.340 0.011 0.000 0.231 282 R C 2.064 178.319 176.300 -0.075 0.000 1.119 282 R CA 1.275 57.317 56.100 -0.097 0.000 0.970 282 R CB -0.023 30.243 30.300 -0.057 0.000 0.864 282 R HN 0.354 nan 8.270 nan 0.000 0.440 283 E N 0.352 120.508 120.200 -0.073 0.000 2.077 283 E HA -0.207 4.149 4.350 0.011 0.000 0.193 283 E C 2.054 178.638 176.600 -0.028 0.000 0.989 283 E CA 1.480 57.861 56.400 -0.031 0.000 0.800 283 E CB -0.141 29.555 29.700 -0.007 0.000 0.746 283 E HN 0.479 nan 8.360 nan 0.000 0.452 284 M N -0.124 119.436 119.600 -0.065 0.000 2.098 284 M HA -0.049 4.438 4.480 0.011 0.000 0.262 284 M C 1.225 177.492 176.300 -0.054 0.000 1.072 284 M CA 0.959 56.232 55.300 -0.046 0.000 1.133 284 M CB 0.086 32.653 32.600 -0.054 0.000 1.344 284 M HN -0.091 nan 8.290 nan 0.000 0.414 285 N N 0.354 118.980 118.700 -0.124 0.000 2.812 285 N HA 0.143 4.889 4.740 0.011 0.000 0.262 285 N C -2.776 172.692 175.510 -0.070 0.000 1.241 285 N CA -0.804 52.196 53.050 -0.084 0.000 0.854 285 N CB 1.834 40.253 38.487 -0.115 0.000 1.506 285 N HN -0.145 nan 8.380 nan 0.000 0.576 286 P HA 0.224 nan 4.420 nan 0.000 0.226 286 P C -0.674 176.666 177.300 0.068 0.000 1.783 286 P CA 0.141 63.258 63.100 0.027 0.000 0.980 286 P CB -0.066 31.645 31.700 0.018 0.000 1.967 287 N N -0.649 118.118 118.700 0.112 0.000 2.801 287 N HA -0.020 4.727 4.740 0.011 0.000 0.280 287 N C 0.022 175.661 175.510 0.214 0.000 0.835 287 N CA -0.042 53.097 53.050 0.149 0.000 1.145 287 N CB -0.361 38.236 38.487 0.182 0.000 1.516 287 N HN 0.035 nan 8.380 nan 0.000 1.122 288 Y N 3.667 124.003 120.300 0.060 0.000 2.954 288 Y HA -0.140 4.417 4.550 0.012 0.000 0.351 288 Y C 2.052 177.964 175.900 0.020 0.000 1.282 288 Y CA 0.394 58.552 58.100 0.097 0.000 1.614 288 Y CB -0.162 38.429 38.460 0.217 0.000 1.183 288 Y HN 0.225 nan 8.280 nan 0.000 0.566 289 T N 1.065 115.582 114.554 -0.062 0.000 2.614 289 T HA -0.203 4.154 4.350 0.011 0.000 0.263 289 T C 0.591 175.151 174.700 -0.233 0.000 1.055 289 T CA 0.942 62.887 62.100 -0.258 0.000 1.162 289 T CB -0.325 68.420 68.868 -0.204 0.000 0.863 289 T HN 0.592 nan 8.240 nan 0.000 0.414 290 E N 0.829 121.036 120.200 0.012 0.000 2.729 290 E HA -0.031 4.326 4.350 0.011 0.000 0.246 290 E C -0.483 176.400 176.600 0.471 0.000 0.984 290 E CA 0.286 56.770 56.400 0.140 0.000 0.951 290 E CB -0.235 29.549 29.700 0.140 0.000 0.914 290 E HN 0.537 nan 8.360 nan 0.000 0.509 291 F N 3.320 123.309 119.950 0.065 0.000 2.729 291 F HA 0.109 4.642 4.527 0.010 0.000 0.315 291 F C 0.820 176.672 175.800 0.085 0.000 1.102 291 F CA -0.722 57.329 58.000 0.085 0.000 1.204 291 F CB 0.660 39.679 39.000 0.032 0.000 1.052 291 F HN 0.305 nan 8.300 nan 0.000 0.551 292 K N 1.973 122.491 120.400 0.197 0.000 2.220 292 K HA 0.229 4.555 4.320 0.011 0.000 0.283 292 K C -1.605 174.965 176.600 -0.051 0.000 1.098 292 K CA 0.211 56.532 56.287 0.057 0.000 0.928 292 K CB -0.142 32.342 32.500 -0.028 0.000 1.214 292 K HN 0.152 nan 8.250 nan 0.000 0.442 293 F N 4.963 124.951 119.950 0.062 0.000 2.607 293 F HA 0.257 4.791 4.527 0.011 0.000 0.322 293 F C -1.976 173.837 175.800 0.021 0.000 1.176 293 F CA -2.177 55.850 58.000 0.045 0.000 0.977 293 F CB 1.857 40.888 39.000 0.052 0.000 1.242 293 F HN 0.528 nan 8.300 nan 0.000 0.465 294 P HA -0.138 nan 4.420 nan 0.000 0.257 294 P C -1.061 176.313 177.300 0.124 0.000 1.153 294 P CA 0.331 63.525 63.100 0.157 0.000 0.762 294 P CB 0.363 32.150 31.700 0.144 0.000 0.743 295 Q N 3.295 123.140 119.800 0.075 0.000 2.359 295 Q HA 0.229 4.576 4.340 0.011 0.000 0.249 295 Q C 0.039 176.058 176.000 0.031 0.000 1.181 295 Q CA 0.124 55.955 55.803 0.046 0.000 0.897 295 Q CB -0.149 28.608 28.738 0.031 0.000 1.424 295 Q HN 0.392 nan 8.270 nan 0.000 0.478 296 I N 3.212 123.798 120.570 0.026 0.000 2.412 296 I HA 0.116 4.293 4.170 0.011 0.000 0.296 296 I C 0.447 176.569 176.117 0.008 0.000 0.987 296 I CA -0.600 60.705 61.300 0.008 0.000 1.180 296 I CB 1.246 39.244 38.000 -0.003 0.000 1.340 296 I HN 0.318 nan 8.210 nan 0.000 0.455 297 K N 6.186 126.586 120.400 0.001 0.000 2.295 297 K HA 0.503 4.830 4.320 0.011 0.000 0.270 297 K C -0.300 176.307 176.600 0.011 0.000 1.011 297 K CA -0.382 55.911 56.287 0.011 0.000 0.953 297 K CB 0.559 33.065 32.500 0.010 0.000 0.956 297 K HN 0.559 nan 8.250 nan 0.000 0.477 298 A N 2.717 125.550 122.820 0.023 0.000 2.567 298 A HA -0.060 4.267 4.320 0.011 0.000 0.240 298 A C -0.256 177.338 177.584 0.017 0.000 1.053 298 A CA 0.066 52.106 52.037 0.005 0.000 0.755 298 A CB -0.490 18.520 19.000 0.016 0.000 0.978 298 A HN 0.792 nan 8.150 nan 0.000 0.507 299 H N 4.352 123.312 119.070 -0.183 0.000 2.723 299 H HA 0.373 4.936 4.556 0.011 0.000 0.294 299 H C -2.233 172.958 175.328 -0.230 0.000 1.079 299 H CA -2.229 53.702 56.048 -0.195 0.000 1.411 299 H CB 0.524 30.143 29.762 -0.238 0.000 1.439 299 H HN 0.379 nan 8.280 nan 0.000 0.474 300 P HA -0.170 nan 4.420 nan 0.000 0.253 300 P C 0.526 177.672 177.300 -0.257 0.000 1.159 300 P CA 0.544 63.556 63.100 -0.146 0.000 0.779 300 P CB -0.008 31.656 31.700 -0.060 0.000 0.745 301 W N 2.792 124.003 121.300 -0.149 0.000 2.321 301 W HA -0.203 4.464 4.660 0.011 0.000 0.285 301 W C 2.217 178.690 176.519 -0.076 0.000 1.213 301 W CA 1.583 58.857 57.345 -0.119 0.000 1.205 301 W CB -0.880 28.577 29.460 -0.006 0.000 1.134 301 W HN 0.292 nan 8.180 nan 0.000 0.549 302 T N -0.587 114.063 114.554 0.161 0.000 2.821 302 T HA -0.211 4.146 4.350 0.011 0.000 0.267 302 T C 1.616 176.333 174.700 0.028 0.000 1.046 302 T CA 1.398 63.571 62.100 0.122 0.000 1.139 302 T CB -0.209 68.703 68.868 0.073 0.000 0.871 302 T HN 0.133 nan 8.240 nan 0.000 0.454 303 K N 0.982 121.308 120.400 -0.124 0.000 2.486 303 K HA 0.064 4.390 4.320 0.011 0.000 0.194 303 K C 1.824 178.273 176.600 -0.252 0.000 1.033 303 K CA 0.252 56.439 56.287 -0.167 0.000 1.004 303 K CB 0.016 32.408 32.500 -0.180 0.000 0.798 303 K HN 0.127 nan 8.250 nan 0.000 0.495 304 V N 0.958 120.644 119.914 -0.379 0.000 2.379 304 V HA -0.070 4.057 4.120 0.011 0.000 0.245 304 V C 0.859 176.637 176.094 -0.527 0.000 1.044 304 V CA 1.231 63.213 62.300 -0.530 0.000 1.036 304 V CB -0.333 31.030 31.823 -0.767 0.000 0.664 304 V HN 0.097 nan 8.190 nan 0.000 0.453 305 F N -0.176 119.766 119.950 -0.013 0.000 2.457 305 F HA 0.514 5.047 4.527 0.011 0.000 0.330 305 F C 0.922 176.711 175.800 -0.017 0.000 1.069 305 F CA -1.301 56.690 58.000 -0.015 0.000 1.009 305 F CB 0.404 39.393 39.000 -0.019 0.000 1.276 305 F HN -0.022 nan 8.300 nan 0.000 0.492 306 R N 1.270 121.887 120.500 0.196 0.000 2.811 306 R HA 0.131 4.478 4.340 0.011 0.000 0.265 306 R C -2.269 174.084 176.300 0.088 0.000 1.026 306 R CA -0.900 55.260 56.100 0.101 0.000 1.142 306 R CB -0.359 29.987 30.300 0.077 0.000 1.027 306 R HN 0.281 nan 8.270 nan 0.000 0.465 307 P HA -0.139 nan 4.420 nan 0.000 0.216 307 P C 0.665 177.984 177.300 0.030 0.000 1.150 307 P CA 1.480 64.605 63.100 0.041 0.000 0.837 307 P CB 0.015 31.733 31.700 0.029 0.000 0.786 308 R N -1.122 119.393 120.500 0.025 0.000 2.189 308 R HA 0.012 4.359 4.340 0.011 0.000 0.223 308 R C 0.449 176.748 176.300 -0.002 0.000 1.092 308 R CA 0.610 56.717 56.100 0.012 0.000 0.989 308 R CB -1.197 29.110 30.300 0.012 0.000 0.876 308 R HN 0.180 nan 8.270 nan 0.000 0.457 309 T N 3.759 118.311 114.554 -0.003 0.000 2.800 309 T HA 0.018 4.375 4.350 0.011 0.000 0.283 309 T C -2.262 172.394 174.700 -0.074 0.000 0.999 309 T CA -0.725 61.340 62.100 -0.060 0.000 1.176 309 T CB 0.466 69.284 68.868 -0.083 0.000 0.973 309 T HN 0.010 nan 8.240 nan 0.000 0.519 310 P HA 0.078 nan 4.420 nan 0.000 0.264 310 P C -1.559 175.682 177.300 -0.098 0.000 1.193 310 P CA -1.384 61.688 63.100 -0.048 0.000 0.763 310 P CB 0.191 31.909 31.700 0.030 0.000 0.810 311 P HA -0.200 nan 4.420 nan 0.000 0.218 311 P C 1.122 178.369 177.300 -0.088 0.000 1.148 311 P CA 1.510 64.573 63.100 -0.062 0.000 0.822 311 P CB 0.195 31.881 31.700 -0.024 0.000 0.784 312 E N 0.067 120.244 120.200 -0.037 0.000 2.110 312 E HA -0.104 4.253 4.350 0.011 0.000 0.193 312 E C 2.184 178.644 176.600 -0.234 0.000 0.988 312 E CA 1.332 57.745 56.400 0.021 0.000 0.804 312 E CB -0.890 28.914 29.700 0.174 0.000 0.745 312 E HN 0.217 nan 8.360 nan 0.000 0.458 313 A N 1.121 123.641 122.820 -0.501 0.000 1.902 313 A HA -0.131 4.196 4.320 0.011 0.000 0.217 313 A C 2.329 179.412 177.584 -0.835 0.000 1.181 313 A CA 1.064 52.411 52.037 -1.149 0.000 0.623 313 A CB -0.583 17.760 19.000 -1.095 0.000 0.818 313 A HN 0.179 nan 8.150 nan 0.000 0.443 314 I N -0.310 119.911 120.570 -0.582 0.000 2.202 314 I HA -0.256 3.921 4.170 0.011 0.000 0.242 314 I C 2.992 178.831 176.117 -0.464 0.000 1.091 314 I CA 1.028 62.043 61.300 -0.474 0.000 1.368 314 I CB -0.496 37.398 38.000 -0.177 0.000 1.058 314 I HN 0.356 nan 8.210 nan 0.000 0.410 315 A N 1.081 123.712 122.820 -0.315 0.000 1.883 315 A HA -0.238 4.089 4.320 0.011 0.000 0.217 315 A C 2.280 179.666 177.584 -0.331 0.000 1.186 315 A CA 1.722 53.626 52.037 -0.220 0.000 0.624 315 A CB -0.872 18.116 19.000 -0.021 0.000 0.822 315 A HN 0.399 nan 8.150 nan 0.000 0.444 316 L N -0.374 120.515 121.223 -0.556 0.000 2.012 316 L HA -0.173 4.174 4.340 0.011 0.000 0.210 316 L C 2.502 179.031 176.870 -0.569 0.000 1.073 316 L CA 2.197 56.542 54.840 -0.825 0.000 0.748 316 L CB -1.204 40.191 42.059 -1.106 0.000 0.891 316 L HN 0.467 nan 8.230 nan 0.000 0.431 317 C N -0.190 118.725 119.300 -0.642 0.000 2.398 317 C HA -0.207 4.259 4.460 0.011 0.000 0.276 317 C C 3.313 177.834 174.990 -0.782 0.000 1.222 317 C CA 1.615 60.228 59.018 -0.674 0.000 1.746 317 C CB -1.155 26.107 27.740 -0.796 0.000 2.039 317 C HN 0.853 nan 8.230 nan 0.000 0.470 318 S N -0.076 115.041 115.700 -0.971 0.000 2.442 318 S HA -0.084 4.393 4.470 0.011 0.000 0.236 318 S C 1.700 176.139 174.600 -0.269 0.000 1.007 318 S CA 0.968 58.698 58.200 -0.784 0.000 0.965 318 S CB -0.412 62.368 63.200 -0.701 0.000 0.773 318 S HN 0.603 nan 8.310 nan 0.000 0.504 319 R N 0.419 120.769 120.500 -0.250 0.000 2.300 319 R HA 0.413 4.760 4.340 0.011 0.000 0.199 319 R C 1.640 177.898 176.300 -0.070 0.000 0.920 319 R CA 0.227 56.263 56.100 -0.108 0.000 1.046 319 R CB -0.573 29.676 30.300 -0.085 0.000 0.984 319 R HN 0.480 nan 8.270 nan 0.000 0.493 320 L N -0.314 120.838 121.223 -0.118 0.000 2.362 320 L HA 0.202 4.549 4.340 0.011 0.000 0.204 320 L C 0.863 177.726 176.870 -0.012 0.000 1.060 320 L CA 0.273 55.091 54.840 -0.036 0.000 0.827 320 L CB 0.002 42.036 42.059 -0.043 0.000 1.027 320 L HN -0.073 nan 8.230 nan 0.000 0.474 321 L N 2.016 123.160 121.223 -0.132 0.000 2.423 321 L HA 0.187 4.534 4.340 0.011 0.000 0.249 321 L C -0.268 176.689 176.870 0.145 0.000 1.276 321 L CA 0.075 54.783 54.840 -0.221 0.000 1.199 321 L CB -0.332 41.579 42.059 -0.247 0.000 1.407 321 L HN 0.176 nan 8.230 nan 0.000 0.410 322 E N 0.059 120.445 120.200 0.309 0.000 2.212 322 E HA 0.154 4.511 4.350 0.011 0.000 0.268 322 E C -0.141 176.668 176.600 0.348 0.000 0.902 322 E CA -0.693 55.867 56.400 0.266 0.000 0.779 322 E CB 1.985 31.806 29.700 0.200 0.000 1.172 322 E HN 0.186 nan 8.360 nan 0.000 0.409 323 Y N 1.272 121.732 120.300 0.268 0.000 2.114 323 Y HA -0.140 4.416 4.550 0.010 0.000 0.284 323 Y C 1.406 177.355 175.900 0.082 0.000 1.143 323 Y CA 1.113 59.293 58.100 0.134 0.000 1.135 323 Y CB -0.367 38.134 38.460 0.069 0.000 0.980 323 Y HN 0.286 nan 8.280 nan 0.000 0.499 324 T N 3.305 118.013 114.554 0.257 0.000 2.751 324 T HA 0.030 4.387 4.350 0.011 0.000 0.290 324 T C -1.656 173.131 174.700 0.146 0.000 0.919 324 T CA -0.968 61.223 62.100 0.151 0.000 1.136 324 T CB 0.876 69.813 68.868 0.115 0.000 0.875 324 T HN 0.081 nan 8.240 nan 0.000 0.532 325 P HA -0.187 nan 4.420 nan 0.000 0.216 325 P C 1.898 179.267 177.300 0.115 0.000 1.157 325 P CA 1.335 64.510 63.100 0.125 0.000 0.880 325 P CB -0.181 31.576 31.700 0.096 0.000 0.791 326 T N -3.549 111.057 114.554 0.087 0.000 3.007 326 T HA 0.048 4.405 4.350 0.011 0.000 0.270 326 T C 1.749 176.495 174.700 0.077 0.000 1.107 326 T CA 0.975 63.118 62.100 0.072 0.000 1.118 326 T CB -0.915 67.984 68.868 0.052 0.000 0.889 326 T HN 0.037 nan 8.240 nan 0.000 0.506 327 A N 1.303 124.179 122.820 0.093 0.000 2.123 327 A HA 0.251 4.578 4.320 0.011 0.000 0.214 327 A C 1.408 179.048 177.584 0.093 0.000 1.152 327 A CA -0.276 51.815 52.037 0.090 0.000 0.728 327 A CB -0.284 18.778 19.000 0.103 0.000 0.814 327 A HN 0.526 nan 8.150 nan 0.000 0.464 328 R N -0.186 120.384 120.500 0.116 0.000 2.594 328 R HA 0.410 4.756 4.340 0.011 0.000 0.272 328 R C -0.432 175.916 176.300 0.081 0.000 1.074 328 R CA -0.423 55.746 56.100 0.115 0.000 1.105 328 R CB 0.416 30.819 30.300 0.172 0.000 1.008 328 R HN 0.316 nan 8.270 nan 0.000 0.472 329 L N 1.602 122.853 121.223 0.047 0.000 2.483 329 L HA 0.022 4.369 4.340 0.011 0.000 0.275 329 L C 1.099 177.990 176.870 0.034 0.000 1.220 329 L CA 0.182 55.031 54.840 0.015 0.000 0.833 329 L CB 0.254 42.285 42.059 -0.046 0.000 1.102 329 L HN 0.774 nan 8.230 nan 0.000 0.490 330 T N -1.240 113.332 114.554 0.030 0.000 2.874 330 T HA 0.247 4.604 4.350 0.011 0.000 0.281 330 T C -1.923 172.789 174.700 0.021 0.000 0.994 330 T CA -1.785 60.357 62.100 0.069 0.000 1.015 330 T CB 1.351 70.258 68.868 0.065 0.000 1.028 330 T HN 0.342 nan 8.240 nan 0.000 0.523 331 P HA -0.061 nan 4.420 nan 0.000 0.215 331 P C 1.632 178.912 177.300 -0.034 0.000 1.153 331 P CA 0.353 63.488 63.100 0.059 0.000 0.853 331 P CB -0.037 31.750 31.700 0.145 0.000 0.788 332 L N 0.008 121.238 121.223 0.011 0.000 2.046 332 L HA -0.159 4.187 4.340 0.011 0.000 0.208 332 L C 2.103 178.955 176.870 -0.030 0.000 1.077 332 L CA 1.903 56.741 54.840 -0.003 0.000 0.747 332 L CB -1.175 40.885 42.059 0.000 0.000 0.896 332 L HN -0.050 nan 8.230 nan 0.000 0.432 333 E N -0.897 119.284 120.200 -0.032 0.000 2.110 333 E HA -0.205 4.152 4.350 0.011 0.000 0.193 333 E C 2.197 178.787 176.600 -0.016 0.000 0.988 333 E CA 1.028 57.418 56.400 -0.016 0.000 0.804 333 E CB -0.275 29.420 29.700 -0.008 0.000 0.745 333 E HN 0.619 nan 8.360 nan 0.000 0.458 334 A N 0.790 123.510 122.820 -0.167 0.000 1.877 334 A HA -0.219 4.107 4.320 0.011 0.000 0.216 334 A C 2.415 180.026 177.584 0.046 0.000 1.186 334 A CA 1.289 53.141 52.037 -0.307 0.000 0.620 334 A CB -0.965 17.248 19.000 -1.311 0.000 0.822 334 A HN 0.385 nan 8.150 nan 0.000 0.443 335 C N -0.984 118.290 119.300 -0.044 0.000 2.413 335 C HA 0.001 4.467 4.460 0.011 0.000 0.277 335 C C 3.096 178.295 174.990 0.347 0.000 1.265 335 C CA 0.934 59.985 59.018 0.054 0.000 1.752 335 C CB -1.329 26.377 27.740 -0.056 0.000 1.998 335 C HN 0.683 nan 8.230 nan 0.000 0.489 336 A N -1.375 121.582 122.820 0.229 0.000 2.238 336 A HA 0.048 4.375 4.320 0.011 0.000 0.208 336 A C 0.661 178.385 177.584 0.234 0.000 1.177 336 A CA 0.188 52.347 52.037 0.203 0.000 0.804 336 A CB -0.739 18.305 19.000 0.073 0.000 0.823 336 A HN 0.796 nan 8.150 nan 0.000 0.482 337 H N -0.430 118.781 119.070 0.236 0.000 2.871 337 H HA 0.176 4.739 4.556 0.011 0.000 0.355 337 H C 1.438 176.848 175.328 0.137 0.000 1.092 337 H CA 0.834 56.971 56.048 0.147 0.000 1.420 337 H CB 0.779 30.598 29.762 0.095 0.000 1.400 337 H HN 0.171 nan 8.280 nan 0.000 0.604 338 S N 3.807 119.370 115.700 -0.229 0.000 2.419 338 S HA -0.199 4.278 4.470 0.011 0.000 0.235 338 S C 1.730 176.392 174.600 0.103 0.000 1.019 338 S CA 1.023 59.189 58.200 -0.058 0.000 0.982 338 S CB -0.359 62.739 63.200 -0.170 0.000 0.789 338 S HN 0.674 nan 8.310 nan 0.000 0.490 339 F N 1.541 121.552 119.950 0.102 0.000 2.250 339 F HA -0.059 4.475 4.527 0.010 0.000 0.301 339 F C 0.964 176.579 175.800 -0.308 0.000 1.077 339 F CA 0.879 58.752 58.000 -0.212 0.000 1.348 339 F CB -0.373 38.320 39.000 -0.511 0.000 1.040 339 F HN 0.153 nan 8.300 nan 0.000 0.509 340 F N 0.034 120.004 119.950 0.033 0.000 2.660 340 F HA 0.125 4.659 4.527 0.012 0.000 0.302 340 F C 1.743 177.497 175.800 -0.078 0.000 1.103 340 F CA -0.294 57.649 58.000 -0.095 0.000 1.340 340 F CB -0.872 38.215 39.000 0.144 0.000 1.048 340 F HN -0.129 nan 8.300 nan 0.000 0.551 341 D N 0.650 121.084 120.400 0.057 0.000 2.149 341 D HA -0.227 4.420 4.640 0.011 0.000 0.198 341 D C 2.190 178.490 176.300 -0.000 0.000 0.990 341 D CA 1.200 55.222 54.000 0.036 0.000 0.839 341 D CB -0.147 40.656 40.800 0.005 0.000 0.948 341 D HN 0.439 nan 8.370 nan 0.000 0.460 342 E N 0.408 120.571 120.200 -0.061 0.000 2.153 342 E HA -0.142 4.215 4.350 0.011 0.000 0.194 342 E C 2.087 178.658 176.600 -0.048 0.000 0.988 342 E CA 0.531 56.887 56.400 -0.074 0.000 0.811 342 E CB -0.080 29.540 29.700 -0.134 0.000 0.746 342 E HN 0.258 nan 8.360 nan 0.000 0.466 343 L N 0.049 121.244 121.223 -0.047 0.000 2.275 343 L HA -0.089 4.257 4.340 0.011 0.000 0.215 343 L C 2.304 179.262 176.870 0.146 0.000 1.119 343 L CA 0.911 55.723 54.840 -0.046 0.000 0.790 343 L CB -0.272 41.657 42.059 -0.216 0.000 0.919 343 L HN 0.075 nan 8.230 nan 0.000 0.443 344 R N -0.498 120.098 120.500 0.159 0.000 2.317 344 R HA 0.031 4.377 4.340 0.011 0.000 0.208 344 R C 0.262 176.666 176.300 0.175 0.000 0.914 344 R CA -0.186 56.038 56.100 0.207 0.000 1.060 344 R CB -0.026 30.330 30.300 0.093 0.000 1.015 344 R HN 0.164 nan 8.270 nan 0.000 0.498 345 D N 1.508 121.957 120.400 0.080 0.000 2.348 345 D HA 0.031 4.678 4.640 0.011 0.000 0.253 345 D C -1.418 174.806 176.300 -0.127 0.000 1.161 345 D CA -2.100 51.888 54.000 -0.020 0.000 0.876 345 D CB 1.590 42.363 40.800 -0.044 0.000 1.160 345 D HN -0.054 nan 8.370 nan 0.000 0.459 346 P HA -0.113 nan 4.420 nan 0.000 0.221 346 P C 0.079 177.198 177.300 -0.302 0.000 1.145 346 P CA 1.049 63.722 63.100 -0.711 0.000 0.795 346 P CB 0.243 31.519 31.700 -0.707 0.000 0.775 347 N N -0.910 117.684 118.700 -0.177 0.000 2.270 347 N HA 0.082 4.829 4.740 0.011 0.000 0.198 347 N C 0.254 175.717 175.510 -0.079 0.000 1.117 347 N CA -0.284 52.700 53.050 -0.109 0.000 0.845 347 N CB 0.304 38.738 38.487 -0.089 0.000 0.980 347 N HN -0.045 nan 8.380 nan 0.000 0.486 348 V N 1.441 121.312 119.914 -0.072 0.000 2.763 348 V HA 0.064 4.190 4.120 0.011 0.000 0.306 348 V C -0.262 175.799 176.094 -0.055 0.000 1.059 348 V CA 0.470 62.732 62.300 -0.063 0.000 1.138 348 V CB 0.604 32.397 31.823 -0.051 0.000 0.940 348 V HN 0.122 nan 8.190 nan 0.000 0.489 349 K N 5.284 125.644 120.400 -0.067 0.000 2.512 349 K HA 0.501 4.828 4.320 0.011 0.000 0.263 349 K C -1.162 175.392 176.600 -0.077 0.000 0.966 349 K CA -0.754 55.499 56.287 -0.056 0.000 0.851 349 K CB 2.167 34.641 32.500 -0.044 0.000 1.395 349 K HN 0.574 nan 8.250 nan 0.000 0.440 350 L N 2.214 123.405 121.223 -0.054 0.000 2.436 350 L HA 0.166 4.513 4.340 0.011 0.000 0.265 350 L C -1.321 175.523 176.870 -0.045 0.000 1.168 350 L CA -1.656 53.149 54.840 -0.058 0.000 0.815 350 L CB 0.330 42.395 42.059 0.011 0.000 1.109 350 L HN 0.337 nan 8.230 nan 0.000 0.462 351 P HA -0.154 nan 4.420 nan 0.000 0.219 351 P C 0.621 177.945 177.300 0.040 0.000 1.146 351 P CA 1.266 64.360 63.100 -0.010 0.000 0.808 351 P CB -0.087 31.628 31.700 0.025 0.000 0.779 352 N N -1.857 116.882 118.700 0.065 0.000 2.383 352 N HA 0.066 4.813 4.740 0.011 0.000 0.192 352 N C 1.179 176.708 175.510 0.030 0.000 1.141 352 N CA 0.543 53.627 53.050 0.056 0.000 0.851 352 N CB -0.354 38.175 38.487 0.070 0.000 0.976 352 N HN 0.069 nan 8.380 nan 0.000 0.465 353 G N 0.802 109.611 108.800 0.016 0.000 2.225 353 G HA2 -0.309 3.658 3.960 0.011 0.000 0.254 353 G HA3 -0.309 3.658 3.960 0.011 0.000 0.254 353 G C 0.237 175.139 174.900 0.004 0.000 0.988 353 G CA -0.164 44.939 45.100 0.005 0.000 0.625 353 G HN 0.382 nan 8.290 nan 0.000 0.527 354 R N 0.905 121.412 120.500 0.012 0.000 2.707 354 R HA 0.401 4.748 4.340 0.011 0.000 0.270 354 R C -0.188 176.113 176.300 0.002 0.000 1.083 354 R CA -0.325 55.781 56.100 0.011 0.000 1.182 354 R CB 0.315 30.627 30.300 0.020 0.000 1.084 354 R HN 0.248 nan 8.270 nan 0.000 0.528 355 D N 0.879 121.280 120.400 0.002 0.000 2.358 355 D HA 0.046 4.692 4.640 0.011 0.000 0.244 355 D C 0.164 176.459 176.300 -0.008 0.000 1.163 355 D CA 0.098 54.097 54.000 -0.002 0.000 0.945 355 D CB 0.895 41.699 40.800 0.006 0.000 1.152 355 D HN 0.481 nan 8.370 nan 0.000 0.451 356 T N -1.115 113.428 114.554 -0.019 0.000 2.856 356 T HA 0.306 4.663 4.350 0.011 0.000 0.306 356 T C -1.947 172.724 174.700 -0.048 0.000 1.062 356 T CA -1.154 60.921 62.100 -0.041 0.000 1.083 356 T CB 0.644 69.469 68.868 -0.073 0.000 0.984 356 T HN 0.179 nan 8.240 nan 0.000 0.542 357 P HA 0.363 nan 4.420 nan 0.000 0.293 357 P C -0.428 176.794 177.300 -0.129 0.000 1.298 357 P CA -0.684 62.376 63.100 -0.066 0.000 0.757 357 P CB 0.072 31.747 31.700 -0.042 0.000 1.262 358 A N 0.039 122.779 122.820 -0.133 0.000 2.520 358 A HA 0.244 4.570 4.320 0.011 0.000 0.245 358 A C 0.839 178.245 177.584 -0.295 0.000 1.072 358 A CA 0.221 52.144 52.037 -0.191 0.000 0.761 358 A CB -1.005 17.894 19.000 -0.168 0.000 1.004 358 A HN 0.544 nan 8.150 nan 0.000 0.499 359 L N 0.833 121.749 121.223 -0.511 0.000 3.227 359 L HA 0.236 4.583 4.340 0.011 0.000 0.287 359 L C 0.269 176.723 176.870 -0.694 0.000 1.161 359 L CA 0.315 54.742 54.840 -0.689 0.000 1.048 359 L CB 0.322 41.639 42.059 -1.236 0.000 1.541 359 L HN 0.792 nan 8.230 nan 0.000 0.590 360 F N -0.557 119.367 119.950 -0.042 0.000 2.729 360 F HA 0.184 4.717 4.527 0.011 0.000 0.315 360 F C 0.975 176.782 175.800 0.012 0.000 1.102 360 F CA -0.639 57.401 58.000 0.065 0.000 1.204 360 F CB 0.052 39.114 39.000 0.104 0.000 1.052 360 F HN 0.091 nan 8.300 nan 0.000 0.551 361 N N 0.724 119.382 118.700 -0.071 0.000 3.243 361 N HA 0.082 4.829 4.740 0.011 0.000 0.310 361 N C -0.594 174.859 175.510 -0.095 0.000 1.313 361 N CA -0.336 52.684 53.050 -0.050 0.000 1.204 361 N CB -0.340 38.082 38.487 -0.108 0.000 1.483 361 N HN 0.022 nan 8.380 nan 0.000 0.553 362 F N 1.195 121.188 119.950 0.073 0.000 2.459 362 F HA 0.120 4.652 4.527 0.009 0.000 0.346 362 F C 1.650 177.490 175.800 0.066 0.000 1.128 362 F CA -0.331 57.716 58.000 0.079 0.000 1.268 362 F CB 0.852 39.912 39.000 0.101 0.000 1.161 362 F HN 0.183 nan 8.300 nan 0.000 0.583 363 T N -2.144 112.579 114.554 0.283 0.000 2.949 363 T HA 0.268 4.624 4.350 0.011 0.000 0.287 363 T C 0.907 175.714 174.700 0.180 0.000 1.034 363 T CA -0.671 61.545 62.100 0.193 0.000 1.018 363 T CB 1.428 70.405 68.868 0.181 0.000 1.135 363 T HN 0.525 nan 8.240 nan 0.000 0.532 364 T N 0.668 115.294 114.554 0.119 0.000 2.720 364 T HA -0.175 4.182 4.350 0.011 0.000 0.268 364 T C 1.962 176.698 174.700 0.059 0.000 1.037 364 T CA 2.015 64.160 62.100 0.076 0.000 1.144 364 T CB -0.483 68.416 68.868 0.052 0.000 0.864 364 T HN 0.762 nan 8.240 nan 0.000 0.444 365 Q N 1.337 121.176 119.800 0.064 0.000 2.061 365 Q HA -0.147 4.200 4.340 0.011 0.000 0.204 365 Q C 2.107 178.101 176.000 -0.010 0.000 0.984 365 Q CA 2.041 57.830 55.803 -0.023 0.000 0.846 365 Q CB -0.352 28.378 28.738 -0.013 0.000 0.902 365 Q HN 0.647 nan 8.270 nan 0.000 0.421 366 E N -0.835 119.462 120.200 0.162 0.000 2.153 366 E HA -0.138 4.219 4.350 0.011 0.000 0.194 366 E C 1.430 178.130 176.600 0.168 0.000 0.988 366 E CA 1.029 57.577 56.400 0.246 0.000 0.811 366 E CB -0.012 29.959 29.700 0.452 0.000 0.746 366 E HN 0.456 nan 8.360 nan 0.000 0.466 367 L N 0.416 121.708 121.223 0.116 0.000 2.592 367 L HA 0.026 4.373 4.340 0.011 0.000 0.227 367 L C 2.284 179.149 176.870 -0.007 0.000 1.127 367 L CA 0.373 55.226 54.840 0.021 0.000 0.884 367 L CB 0.073 42.122 42.059 -0.018 0.000 1.065 367 L HN 0.125 nan 8.230 nan 0.000 0.457 368 S N -0.453 115.240 115.700 -0.012 0.000 2.420 368 S HA -0.258 4.219 4.470 0.011 0.000 0.237 368 S C 2.145 176.727 174.600 -0.030 0.000 1.023 368 S CA 1.559 59.739 58.200 -0.033 0.000 0.991 368 S CB -0.630 62.529 63.200 -0.068 0.000 0.792 368 S HN 0.559 nan 8.310 nan 0.000 0.488 369 S N 1.055 116.741 115.700 -0.023 0.000 2.515 369 S HA 0.065 4.542 4.470 0.011 0.000 0.231 369 S C 0.703 175.296 174.600 -0.012 0.000 0.987 369 S CA 0.619 58.812 58.200 -0.012 0.000 0.936 369 S CB -0.461 62.744 63.200 0.009 0.000 0.766 369 S HN 0.584 nan 8.310 nan 0.000 0.528 370 N N 0.328 119.016 118.700 -0.021 0.000 3.409 370 N HA 0.234 4.981 4.740 0.011 0.000 0.169 370 N C -2.895 172.590 175.510 -0.042 0.000 1.443 370 N CA -0.932 52.102 53.050 -0.027 0.000 0.933 370 N CB 0.659 39.132 38.487 -0.024 0.000 1.669 370 N HN -0.087 nan 8.380 nan 0.000 0.640 371 P HA -0.083 nan 4.420 nan 0.000 0.216 371 P C -1.430 175.837 177.300 -0.054 0.000 1.154 371 P CA 1.332 64.406 63.100 -0.043 0.000 0.865 371 P CB -0.420 31.264 31.700 -0.026 0.000 0.789 372 P HA -0.123 nan 4.420 nan 0.000 0.222 372 P C 1.252 178.516 177.300 -0.059 0.000 1.142 372 P CA 1.048 64.122 63.100 -0.044 0.000 0.788 372 P CB -0.604 31.076 31.700 -0.033 0.000 0.767 373 L N -1.564 119.614 121.223 -0.076 0.000 2.465 373 L HA -0.071 4.276 4.340 0.011 0.000 0.224 373 L C 2.308 179.095 176.870 -0.138 0.000 1.145 373 L CA 0.728 55.511 54.840 -0.095 0.000 0.834 373 L CB -0.868 41.129 42.059 -0.103 0.000 0.944 373 L HN -0.011 nan 8.230 nan 0.000 0.451 374 A N -0.227 122.503 122.820 -0.149 0.000 1.986 374 A HA -0.230 4.097 4.320 0.011 0.000 0.220 374 A C 2.329 179.846 177.584 -0.112 0.000 1.171 374 A CA 2.306 54.244 52.037 -0.165 0.000 0.640 374 A CB -0.753 18.182 19.000 -0.108 0.000 0.811 374 A HN 0.345 nan 8.150 nan 0.000 0.451 375 T N -0.264 114.240 114.554 -0.083 0.000 2.881 375 T HA -0.056 4.301 4.350 0.011 0.000 0.270 375 T C 1.629 176.290 174.700 -0.066 0.000 1.068 375 T CA 1.590 63.651 62.100 -0.066 0.000 1.131 375 T CB -0.304 68.534 68.868 -0.051 0.000 0.871 375 T HN 0.496 nan 8.240 nan 0.000 0.479 376 I N -0.290 120.242 120.570 -0.064 0.000 2.810 376 I HA 0.093 4.270 4.170 0.011 0.000 0.262 376 I C 1.958 178.060 176.117 -0.026 0.000 1.131 376 I CA 0.495 61.772 61.300 -0.038 0.000 1.453 376 I CB -0.075 37.916 38.000 -0.015 0.000 1.161 376 I HN 0.125 nan 8.210 nan 0.000 0.444 377 L N 0.913 122.103 121.223 -0.055 0.000 2.131 377 L HA -0.063 4.284 4.340 0.011 0.000 0.210 377 L C 0.813 177.741 176.870 0.098 0.000 1.092 377 L CA 1.085 55.925 54.840 -0.000 0.000 0.759 377 L CB -0.142 41.675 42.059 -0.402 0.000 0.903 377 L HN 0.153 nan 8.230 nan 0.000 0.435 378 I N 1.664 122.203 120.570 -0.050 0.000 2.388 378 I HA 0.227 4.403 4.170 0.011 0.000 0.281 378 I C -2.046 173.897 176.117 -0.291 0.000 1.046 378 I CA -1.935 59.290 61.300 -0.124 0.000 1.187 378 I CB 0.968 38.959 38.000 -0.014 0.000 1.351 378 I HN -0.132 nan 8.210 nan 0.000 0.472 379 P HA 0.160 nan 4.420 nan 0.000 0.270 379 P C -2.172 174.892 177.300 -0.393 0.000 1.223 379 P CA -1.123 61.709 63.100 -0.447 0.000 0.785 379 P CB 0.133 31.496 31.700 -0.561 0.000 0.923 380 P HA -0.221 nan 4.420 nan 0.000 0.216 380 P C 1.541 178.777 177.300 -0.107 0.000 1.154 380 P CA 1.791 64.827 63.100 -0.107 0.000 0.865 380 P CB -0.561 31.124 31.700 -0.026 0.000 0.789 381 H N -1.368 117.635 119.070 -0.112 0.000 2.502 381 H HA 0.283 4.846 4.556 0.012 0.000 0.283 381 H C 0.611 175.895 175.328 -0.072 0.000 1.015 381 H CA 0.359 56.360 56.048 -0.079 0.000 1.298 381 H CB -0.653 29.070 29.762 -0.066 0.000 1.411 381 H HN -0.046 nan 8.280 nan 0.000 0.556 382 A N 1.764 124.162 122.820 -0.703 0.000 2.425 382 A HA 0.260 4.586 4.320 0.011 0.000 0.249 382 A C 0.721 178.229 177.584 -0.126 0.000 1.084 382 A CA 0.024 51.812 52.037 -0.414 0.000 0.781 382 A CB -0.097 18.489 19.000 -0.690 0.000 1.019 382 A HN 0.611 nan 8.150 nan 0.000 0.490 383 R N -0.176 120.326 120.500 0.003 0.000 3.741 383 R HA -0.157 4.190 4.340 0.011 0.000 0.292 383 R C -0.401 175.906 176.300 0.011 0.000 1.176 383 R CA 0.547 56.664 56.100 0.029 0.000 0.794 383 R CB -1.745 28.584 30.300 0.047 0.000 1.213 383 R HN 0.579 nan 8.270 nan 0.000 0.494 384 I N 2.359 122.931 120.570 0.004 0.000 2.505 384 I HA -0.020 4.157 4.170 0.011 0.000 0.287 384 I C 0.805 176.931 176.117 0.015 0.000 1.104 384 I CA 0.820 62.123 61.300 0.006 0.000 1.387 384 I CB 0.444 38.450 38.000 0.010 0.000 1.404 384 I HN 0.214 nan 8.210 nan 0.000 0.528 385 Q N 6.020 125.827 119.800 0.012 0.000 2.263 385 Q HA 0.758 5.105 4.340 0.011 0.000 0.262 385 Q C -1.582 174.424 176.000 0.010 0.000 0.984 385 Q CA -0.763 55.047 55.803 0.013 0.000 0.813 385 Q CB 1.814 30.562 28.738 0.016 0.000 1.299 385 Q HN 0.617 nan 8.270 nan 0.000 0.428 386 A N 2.403 125.229 122.820 0.009 0.000 2.246 386 A HA 0.789 5.116 4.320 0.011 0.000 0.291 386 A C 0.516 178.105 177.584 0.008 0.000 1.103 386 A CA -0.186 51.856 52.037 0.008 0.000 0.844 386 A CB 0.689 19.693 19.000 0.007 0.000 1.136 386 A HN 1.163 nan 8.150 nan 0.000 0.500 387 A N -0.257 122.567 122.820 0.007 0.000 2.462 387 A HA 0.605 4.932 4.320 0.011 0.000 0.261 387 A C 0.992 178.580 177.584 0.006 0.000 1.323 387 A CA 1.016 53.057 52.037 0.007 0.000 0.913 387 A CB -1.718 17.286 19.000 0.007 0.000 1.028 387 A HN 2.768 nan 8.150 nan 0.000 0.511 388 A N 0.000 122.824 122.820 0.006 0.000 2.254 388 A HA 0.000 4.327 4.320 0.011 0.000 0.244 388 A CA 0.000 52.040 52.037 0.006 0.000 0.836 388 A CB 0.000 19.003 19.000 0.006 0.000 0.831 388 A HN 0.000 nan 8.150 nan 0.000 0.486