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 2bp7_1_A DATA FIRST_RESID 2 DATA SEQUENCE NEYAPLRLHV PEPTGRPGCQ TDFSYLRLND AGQARKPPVD VDAADTADLS DATA SEQUENCE YSLVRVLDEQ GDAQGPWAED IDPQILRQGM RAMLKTRIFD SRMVVAQRQK DATA SEQUENCE KMSFYMQSLG EEAIGSGQAL ALNRTDMCFP TYRQQSILMA RDVSLVEMIC DATA SEQUENCE QLLSNERDPL KGRQLPIMYS VREAGFFTIS GNLATQFVQA VGWAMASAIK DATA SEQUENCE GDTKIASAWI GDGATAESDF HTALTFAHVY RAPVILNVVN NQWAISTFQA DATA SEQUENCE IAGGESTTFA GRGVGCGIAS LRVDGNDFVA VYAASRWAAE RARRGLGPSL DATA SEQUENCE IEWVTYRAGP HSTSDDPSKY RPADDWSHFP LGDPIARLKQ HLIKIGHWSE DATA SEQUENCE EEHQATTAEF EAAVIAAQKE AEQYGTLANG HIPSAASMFE DVYKEMPDHL DATA SEQUENCE RRQRQEL 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.514 175.510 0.006 0.000 1.280 2 N CA 0.000 53.065 53.050 0.026 0.000 0.885 2 N CB 0.000 38.498 38.487 0.019 0.000 1.341 3 E N 1.057 121.260 120.200 0.006 0.000 2.048 3 E HA -0.081 4.269 4.350 -0.000 0.000 0.202 3 E C -0.011 176.446 176.600 -0.238 0.000 1.021 3 E CA 1.525 57.845 56.400 -0.132 0.000 0.825 3 E CB -0.270 29.357 29.700 -0.122 0.000 0.756 3 E HN 0.385 nan 8.360 nan 0.000 0.454 4 Y N -0.305 119.994 120.300 -0.002 0.000 2.323 4 Y HA 0.431 4.981 4.550 -0.000 0.000 0.331 4 Y C 0.489 176.389 175.900 -0.001 0.000 1.092 4 Y CA -0.693 57.406 58.100 -0.002 0.000 1.150 4 Y CB 1.229 39.688 38.460 -0.002 0.000 1.200 4 Y HN -0.073 nan 8.280 nan 0.000 0.472 5 A N 4.568 127.463 122.820 0.126 0.000 2.445 5 A HA 0.390 4.710 4.320 -0.000 0.000 0.242 5 A C -2.257 175.380 177.584 0.088 0.000 1.075 5 A CA -1.309 50.775 52.037 0.078 0.000 0.777 5 A CB -0.585 18.444 19.000 0.049 0.000 1.013 5 A HN 0.581 nan 8.150 nan 0.000 0.493 6 P HA 0.100 nan 4.420 nan 0.000 0.262 6 P C -0.446 176.879 177.300 0.042 0.000 1.182 6 P CA -0.192 62.935 63.100 0.045 0.000 0.761 6 P CB 0.162 31.881 31.700 0.032 0.000 0.795 7 L N 3.802 125.046 121.223 0.034 0.000 2.456 7 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 7 L C 0.998 177.885 176.870 0.028 0.000 1.189 7 L CA 0.301 55.158 54.840 0.029 0.000 0.846 7 L CB 0.036 42.105 42.059 0.015 0.000 1.111 7 L HN 0.545 nan 8.230 nan 0.000 0.475 8 R N 2.469 122.989 120.500 0.033 0.000 2.534 8 R HA 0.585 4.925 4.340 -0.000 0.000 0.301 8 R C -0.941 175.390 176.300 0.052 0.000 0.961 8 R CA -0.811 55.312 56.100 0.038 0.000 0.871 8 R CB 0.821 31.146 30.300 0.041 0.000 1.170 8 R HN 0.334 nan 8.270 nan 0.000 0.446 9 L N 2.754 124.004 121.223 0.046 0.000 2.462 9 L HA 0.223 4.563 4.340 -0.000 0.000 0.272 9 L C -0.608 176.314 176.870 0.087 0.000 1.166 9 L CA 0.263 55.135 54.840 0.053 0.000 0.880 9 L CB 0.006 42.080 42.059 0.024 0.000 1.142 9 L HN 0.805 nan 8.230 nan 0.000 0.473 10 H N 4.071 123.140 119.070 -0.002 0.000 2.562 10 H HA 0.585 5.141 4.556 -0.000 0.000 0.314 10 H C -1.269 174.057 175.328 -0.004 0.000 1.079 10 H CA -0.515 55.532 56.048 -0.002 0.000 1.349 10 H CB 1.054 30.814 29.762 -0.004 0.000 1.432 10 H HN 0.417 nan 8.280 nan 0.000 0.479 11 V N 8.196 127.801 119.914 -0.515 0.000 2.409 11 V HA 0.289 4.409 4.120 -0.000 0.000 0.290 11 V C -2.136 173.649 176.094 -0.516 0.000 1.017 11 V CA -1.663 60.393 62.300 -0.407 0.000 0.841 11 V CB 1.258 32.977 31.823 -0.174 0.000 1.003 11 V HN 0.847 nan 8.190 nan 0.000 0.426 12 P HA 0.322 nan 4.420 nan 0.000 0.268 12 P C -0.498 176.749 177.300 -0.088 0.000 1.205 12 P CA -0.029 62.938 63.100 -0.220 0.000 0.771 12 P CB 0.710 32.356 31.700 -0.090 0.000 0.858 13 E N 2.671 122.849 120.200 -0.038 0.000 2.272 13 E HA 0.316 4.666 4.350 -0.000 0.000 0.269 13 E C -2.361 174.180 176.600 -0.099 0.000 0.877 13 E CA -2.071 54.308 56.400 -0.035 0.000 0.755 13 E CB 1.624 31.296 29.700 -0.046 0.000 1.192 13 E HN 0.391 nan 8.360 nan 0.000 0.422 14 P HA -0.024 nan 4.420 nan 0.000 0.271 14 P C 0.802 177.842 177.300 -0.433 0.000 1.216 14 P CA -0.011 62.626 63.100 -0.772 0.000 0.776 14 P CB 0.736 31.988 31.700 -0.747 0.000 0.881 15 T N -0.439 113.831 114.554 -0.474 0.000 2.881 15 T HA -0.010 4.340 4.350 -0.000 0.000 0.270 15 T C 1.125 175.714 174.700 -0.186 0.000 1.068 15 T CA 0.848 62.800 62.100 -0.246 0.000 1.131 15 T CB -0.709 68.043 68.868 -0.193 0.000 0.871 15 T HN 0.567 nan 8.240 nan 0.000 0.479 16 G N 1.192 109.869 108.800 -0.206 0.000 2.368 16 G HA2 0.621 4.581 3.960 -0.000 0.000 0.320 16 G HA3 0.621 4.581 3.960 -0.000 0.000 0.320 16 G C -0.538 174.357 174.900 -0.009 0.000 1.158 16 G CA -0.835 44.203 45.100 -0.103 0.000 0.912 16 G HN 0.077 nan 8.290 nan 0.000 0.456 17 R N 1.553 122.049 120.500 -0.006 0.000 2.939 17 R HA 0.493 4.833 4.340 -0.000 0.000 0.254 17 R C -2.744 173.555 176.300 -0.002 0.000 1.123 17 R CA -2.388 53.727 56.100 0.024 0.000 1.020 17 R CB 1.122 31.436 30.300 0.023 0.000 1.206 17 R HN 0.254 nan 8.270 nan 0.000 0.491 18 P HA 0.036 nan 4.420 nan 0.000 0.260 18 P C 0.448 177.739 177.300 -0.016 0.000 1.185 18 P CA 1.161 64.245 63.100 -0.027 0.000 0.763 18 P CB 0.159 31.840 31.700 -0.032 0.000 0.776 19 G N 1.198 109.988 108.800 -0.016 0.000 2.157 19 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.239 19 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.239 19 G C 0.258 175.148 174.900 -0.017 0.000 0.982 19 G CA -0.111 44.982 45.100 -0.012 0.000 0.650 19 G HN 0.625 nan 8.290 nan 0.000 0.527 20 C N -0.970 118.314 119.300 -0.027 0.000 3.082 20 C HA 0.906 5.366 4.460 -0.000 0.000 0.384 20 C C 0.219 175.166 174.990 -0.072 0.000 1.832 20 C CA -0.471 58.521 59.018 -0.043 0.000 1.605 20 C CB 1.811 29.523 27.740 -0.046 0.000 2.303 20 C HN 0.653 nan 8.230 nan 0.000 0.473 21 Q N 0.227 119.962 119.800 -0.107 0.000 2.356 21 Q HA 0.428 4.768 4.340 -0.000 0.000 0.270 21 Q C -1.176 174.705 176.000 -0.198 0.000 1.058 21 Q CA -0.035 55.653 55.803 -0.192 0.000 0.802 21 Q CB 1.741 30.346 28.738 -0.221 0.000 1.303 21 Q HN 0.765 nan 8.270 nan 0.000 0.444 22 T N 2.783 117.175 114.554 -0.270 0.000 2.901 22 T HA 0.048 4.398 4.350 -0.000 0.000 0.301 22 T C -0.651 173.816 174.700 -0.390 0.000 1.012 22 T CA 0.058 61.921 62.100 -0.394 0.000 1.135 22 T CB 0.464 68.950 68.868 -0.637 0.000 0.936 22 T HN 0.498 nan 8.240 nan 0.000 0.539 23 D N 1.965 122.215 120.400 -0.250 0.000 2.456 23 D HA 0.191 4.831 4.640 -0.000 0.000 0.219 23 D C -0.032 176.306 176.300 0.063 0.000 1.126 23 D CA -0.519 53.443 54.000 -0.064 0.000 0.890 23 D CB -0.228 40.571 40.800 -0.002 0.000 1.025 23 D HN 0.455 nan 8.370 nan 0.000 0.511 24 F N 1.705 121.780 119.950 0.209 0.000 2.716 24 F HA 0.009 4.536 4.527 -0.000 0.000 0.301 24 F C 2.167 177.959 175.800 -0.013 0.000 1.210 24 F CA -0.171 57.927 58.000 0.164 0.000 1.422 24 F CB 0.070 39.115 39.000 0.075 0.000 1.073 24 F HN 0.303 nan 8.300 nan 0.000 0.525 25 S N -0.407 115.429 115.700 0.227 0.000 2.399 25 S HA -0.261 4.209 4.470 -0.000 0.000 0.231 25 S C 1.880 176.551 174.600 0.117 0.000 1.022 25 S CA 1.440 59.723 58.200 0.138 0.000 0.983 25 S CB -0.584 62.697 63.200 0.136 0.000 0.803 25 S HN 0.738 nan 8.310 nan 0.000 0.480 26 Y N 1.825 122.219 120.300 0.157 0.000 2.315 26 Y HA 0.099 4.649 4.550 -0.000 0.000 0.288 26 Y C 0.497 176.487 175.900 0.150 0.000 1.154 26 Y CA 0.061 58.253 58.100 0.154 0.000 1.229 26 Y CB -1.048 37.534 38.460 0.204 0.000 0.980 26 Y HN 0.041 nan 8.280 nan 0.000 0.540 27 L N 3.450 124.330 121.223 -0.573 0.000 2.597 27 L HA 0.074 4.414 4.340 -0.000 0.000 0.271 27 L C 0.434 177.229 176.870 -0.126 0.000 1.157 27 L CA 0.365 54.992 54.840 -0.354 0.000 0.928 27 L CB 0.170 42.020 42.059 -0.349 0.000 1.216 27 L HN 0.204 nan 8.230 nan 0.000 0.481 28 R N 4.998 125.464 120.500 -0.056 0.000 2.605 28 R HA 0.241 4.581 4.340 -0.000 0.000 0.271 28 R C -0.578 175.697 176.300 -0.041 0.000 1.418 28 R CA -0.095 55.992 56.100 -0.021 0.000 1.102 28 R CB -0.233 30.070 30.300 0.005 0.000 1.131 28 R HN 0.533 nan 8.270 nan 0.000 0.554 29 L N 2.179 123.371 121.223 -0.052 0.000 2.357 29 L HA 0.311 4.651 4.340 -0.000 0.000 0.273 29 L C 0.185 177.030 176.870 -0.042 0.000 1.080 29 L CA -0.631 54.171 54.840 -0.065 0.000 0.803 29 L CB 1.169 43.169 42.059 -0.097 0.000 1.174 29 L HN 0.417 nan 8.230 nan 0.000 0.443 30 N N -0.205 118.468 118.700 -0.045 0.000 2.328 30 N HA 0.344 5.084 4.740 -0.000 0.000 0.299 30 N C -1.451 174.040 175.510 -0.031 0.000 1.179 30 N CA -0.720 52.312 53.050 -0.030 0.000 0.793 30 N CB 1.424 39.895 38.487 -0.025 0.000 1.366 30 N HN 0.414 nan 8.380 nan 0.000 0.493 31 D N 0.268 120.658 120.400 -0.017 0.000 2.341 31 D HA 0.376 5.016 4.640 -0.000 0.000 0.245 31 D C -0.106 176.191 176.300 -0.005 0.000 1.106 31 D CA -0.216 53.776 54.000 -0.013 0.000 0.905 31 D CB 0.610 41.408 40.800 -0.004 0.000 1.202 31 D HN 0.566 nan 8.370 nan 0.000 0.426 32 A N 1.037 123.855 122.820 -0.004 0.000 2.567 32 A HA 0.433 4.753 4.320 -0.000 0.000 0.240 32 A C 1.550 179.153 177.584 0.030 0.000 1.053 32 A CA 0.602 52.644 52.037 0.007 0.000 0.755 32 A CB -0.519 18.486 19.000 0.007 0.000 0.978 32 A HN 0.921 nan 8.150 nan 0.000 0.507 33 G N 1.106 109.939 108.800 0.056 0.000 2.225 33 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.254 33 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.254 33 G C 1.058 176.005 174.900 0.080 0.000 0.988 33 G CA 1.035 46.186 45.100 0.086 0.000 0.625 33 G HN 0.980 nan 8.290 nan 0.000 0.527 34 Q N 0.512 120.344 119.800 0.054 0.000 2.079 34 Q HA 0.406 4.746 4.340 -0.000 0.000 0.200 34 Q C 1.782 177.818 176.000 0.060 0.000 0.974 34 Q CA 1.297 57.126 55.803 0.044 0.000 0.840 34 Q CB -0.181 28.571 28.738 0.023 0.000 0.898 34 Q HN 1.120 nan 8.270 nan 0.000 0.430 35 A N 1.683 124.547 122.820 0.073 0.000 2.454 35 A HA 0.242 4.562 4.320 -0.000 0.000 0.260 35 A C -0.281 177.435 177.584 0.220 0.000 1.106 35 A CA -0.411 51.688 52.037 0.103 0.000 0.780 35 A CB 0.082 19.105 19.000 0.039 0.000 1.044 35 A HN 0.518 nan 8.150 nan 0.000 0.498 36 R N 2.095 122.689 120.500 0.156 0.000 2.615 36 R HA 0.398 4.738 4.340 -0.000 0.000 0.270 36 R C -0.231 176.139 176.300 0.117 0.000 1.081 36 R CA -0.461 55.698 56.100 0.098 0.000 1.154 36 R CB 0.670 30.985 30.300 0.025 0.000 1.063 36 R HN 0.548 nan 8.270 nan 0.000 0.519 37 K N 2.864 123.119 120.400 -0.242 0.000 2.334 37 K HA 0.313 4.633 4.320 -0.000 0.000 0.265 37 K C -2.172 174.205 176.600 -0.373 0.000 1.039 37 K CA -2.177 53.683 56.287 -0.711 0.000 0.920 37 K CB 1.123 32.785 32.500 -1.397 0.000 1.160 37 K HN 0.542 nan 8.250 nan 0.000 0.451 38 P HA 0.274 nan 4.420 nan 0.000 0.274 38 P C -2.720 174.665 177.300 0.141 0.000 1.246 38 P CA -1.544 61.542 63.100 -0.024 0.000 0.795 38 P CB -0.031 31.695 31.700 0.043 0.000 1.006 39 P HA -0.031 nan 4.420 nan 0.000 0.272 39 P C 1.182 178.685 177.300 0.339 0.000 1.223 39 P CA -0.201 63.017 63.100 0.196 0.000 0.784 39 P CB 0.222 31.977 31.700 0.091 0.000 0.923 40 V N -0.490 119.506 119.914 0.136 0.000 2.867 40 V HA -0.204 3.916 4.120 -0.000 0.000 0.260 40 V C 0.963 176.948 176.094 -0.183 0.000 1.099 40 V CA 2.188 64.319 62.300 -0.282 0.000 1.122 40 V CB -1.664 29.878 31.823 -0.469 0.000 0.708 40 V HN 0.579 nan 8.190 nan 0.000 0.490 41 D N -0.058 120.322 120.400 -0.032 0.000 2.358 41 D HA 0.189 4.829 4.640 -0.000 0.000 0.224 41 D C 0.614 176.940 176.300 0.043 0.000 1.123 41 D CA -0.135 53.852 54.000 -0.021 0.000 0.833 41 D CB 0.254 41.040 40.800 -0.023 0.000 0.946 41 D HN 0.366 nan 8.370 nan 0.000 0.505 42 V N 1.175 121.163 119.914 0.124 0.000 2.814 42 V HA -0.033 4.087 4.120 -0.000 0.000 0.307 42 V C -0.038 176.121 176.094 0.108 0.000 1.089 42 V CA 0.097 62.481 62.300 0.141 0.000 1.212 42 V CB 0.402 32.364 31.823 0.231 0.000 0.912 42 V HN 0.223 nan 8.190 nan 0.000 0.497 43 D N 5.428 125.873 120.400 0.076 0.000 2.382 43 D HA 0.251 4.891 4.640 -0.000 0.000 0.245 43 D C 0.949 177.291 176.300 0.071 0.000 1.120 43 D CA 0.606 54.642 54.000 0.060 0.000 0.890 43 D CB 1.617 42.441 40.800 0.040 0.000 1.201 43 D HN 0.722 nan 8.370 nan 0.000 0.433 44 A N 2.560 125.418 122.820 0.063 0.000 1.948 44 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 44 A C 2.060 179.666 177.584 0.036 0.000 1.177 44 A CA 2.269 54.339 52.037 0.055 0.000 0.636 44 A CB -0.575 18.441 19.000 0.027 0.000 0.815 44 A HN 0.638 nan 8.150 nan 0.000 0.449 45 A N -0.313 122.521 122.820 0.023 0.000 1.933 45 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 45 A C 1.541 179.137 177.584 0.021 0.000 1.175 45 A CA 1.685 53.729 52.037 0.013 0.000 0.628 45 A CB -0.465 18.538 19.000 0.006 0.000 0.814 45 A HN 0.442 nan 8.150 nan 0.000 0.444 46 D N -1.129 119.290 120.400 0.032 0.000 2.378 46 D HA -0.003 4.637 4.640 -0.000 0.000 0.227 46 D C 1.181 177.504 176.300 0.039 0.000 1.012 46 D CA 0.995 55.014 54.000 0.033 0.000 0.905 46 D CB -0.035 40.789 40.800 0.039 0.000 0.895 46 D HN 0.351 nan 8.370 nan 0.000 0.532 47 T N -0.780 113.801 114.554 0.045 0.000 3.105 47 T HA 0.272 4.622 4.350 -0.000 0.000 0.253 47 T C 1.706 176.431 174.700 0.042 0.000 1.047 47 T CA 0.464 62.591 62.100 0.045 0.000 0.944 47 T CB 0.169 69.076 68.868 0.065 0.000 1.016 47 T HN 0.087 nan 8.240 nan 0.000 0.544 48 A N 1.311 124.155 122.820 0.040 0.000 1.902 48 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 48 A C 2.106 179.737 177.584 0.077 0.000 1.181 48 A CA 1.725 53.794 52.037 0.052 0.000 0.623 48 A CB -0.446 18.562 19.000 0.013 0.000 0.818 48 A HN 0.437 nan 8.150 nan 0.000 0.443 49 D N -0.021 120.406 120.400 0.045 0.000 2.117 49 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 49 D C 1.933 178.277 176.300 0.073 0.000 0.982 49 D CA 1.026 55.057 54.000 0.052 0.000 0.828 49 D CB -0.279 40.536 40.800 0.025 0.000 0.967 49 D HN 0.441 nan 8.370 nan 0.000 0.464 50 L N 1.157 122.404 121.223 0.041 0.000 2.201 50 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 50 L C 2.466 179.330 176.870 -0.010 0.000 1.105 50 L CA 0.990 55.832 54.840 0.004 0.000 0.775 50 L CB -0.366 41.678 42.059 -0.026 0.000 0.913 50 L HN 0.047 nan 8.230 nan 0.000 0.440 51 S N -1.517 114.206 115.700 0.039 0.000 2.474 51 S HA -0.162 4.308 4.470 -0.000 0.000 0.235 51 S C 1.334 175.912 174.600 -0.038 0.000 0.997 51 S CA 0.724 58.932 58.200 0.013 0.000 0.949 51 S CB -0.350 62.901 63.200 0.084 0.000 0.766 51 S HN 0.436 nan 8.310 nan 0.000 0.517 52 Y N 2.269 122.544 120.300 -0.042 0.000 2.584 52 Y HA 0.404 4.954 4.550 -0.000 0.000 0.254 52 Y C 1.327 177.205 175.900 -0.036 0.000 1.177 52 Y CA -0.383 57.695 58.100 -0.037 0.000 1.216 52 Y CB 0.382 38.824 38.460 -0.031 0.000 1.172 52 Y HN 0.492 nan 8.280 nan 0.000 0.529 53 S N -0.754 114.968 115.700 0.037 0.000 2.993 53 S HA 0.739 5.209 4.470 -0.000 0.000 0.281 53 S C -1.266 173.300 174.600 -0.057 0.000 1.033 53 S CA -0.724 57.475 58.200 -0.001 0.000 0.950 53 S CB 1.647 64.852 63.200 0.007 0.000 1.349 53 S HN -0.008 nan 8.310 nan 0.000 0.652 54 L N 1.080 122.262 121.223 -0.069 0.000 2.516 54 L HA 0.573 4.913 4.340 -0.000 0.000 0.267 54 L C -1.538 175.247 176.870 -0.142 0.000 0.957 54 L CA -0.465 54.312 54.840 -0.105 0.000 0.860 54 L CB 1.928 43.941 42.059 -0.077 0.000 1.265 54 L HN 0.606 nan 8.230 nan 0.000 0.403 55 V N 5.543 125.306 119.914 -0.252 0.000 2.455 55 V HA 0.522 4.642 4.120 -0.000 0.000 0.273 55 V C 0.168 176.086 176.094 -0.295 0.000 1.045 55 V CA -0.165 61.889 62.300 -0.408 0.000 0.976 55 V CB 0.911 32.221 31.823 -0.855 0.000 0.993 55 V HN 0.773 nan 8.190 nan 0.000 0.475 56 R N 3.509 123.895 120.500 -0.190 0.000 2.584 56 R HA 0.564 4.904 4.340 -0.000 0.000 0.276 56 R C -0.724 175.558 176.300 -0.031 0.000 1.046 56 R CA -0.507 55.538 56.100 -0.092 0.000 0.906 56 R CB 2.362 32.629 30.300 -0.056 0.000 1.215 56 R HN 0.402 nan 8.270 nan 0.000 0.449 57 V N 3.847 123.754 119.914 -0.012 0.000 2.743 57 V HA 0.197 4.317 4.120 -0.000 0.000 0.237 57 V C 0.632 176.716 176.094 -0.016 0.000 1.113 57 V CA 0.293 62.606 62.300 0.021 0.000 1.141 57 V CB 0.159 32.007 31.823 0.041 0.000 0.873 57 V HN 0.570 nan 8.190 nan 0.000 0.486 58 L N 2.951 124.145 121.223 -0.048 0.000 2.290 58 L HA 0.346 4.686 4.340 -0.000 0.000 0.284 58 L C -0.026 176.833 176.870 -0.018 0.000 1.078 58 L CA -0.543 54.257 54.840 -0.066 0.000 0.815 58 L CB 0.583 42.584 42.059 -0.097 0.000 1.162 58 L HN 0.418 nan 8.230 nan 0.000 0.435 59 D N 1.855 122.256 120.400 0.002 0.000 2.478 59 D HA 0.037 4.677 4.640 -0.000 0.000 0.269 59 D C 0.704 177.008 176.300 0.008 0.000 1.232 59 D CA -0.543 53.461 54.000 0.007 0.000 1.059 59 D CB 0.630 41.441 40.800 0.018 0.000 1.104 59 D HN 0.345 nan 8.370 nan 0.000 0.566 60 E N -0.932 119.268 120.200 0.001 0.000 2.333 60 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 60 E C 1.318 177.923 176.600 0.008 0.000 1.007 60 E CA 0.980 57.377 56.400 -0.005 0.000 0.845 60 E CB -0.070 29.622 29.700 -0.013 0.000 0.766 60 E HN 0.440 nan 8.360 nan 0.000 0.507 61 Q N -0.922 118.891 119.800 0.022 0.000 2.356 61 Q HA 0.188 4.528 4.340 -0.000 0.000 0.205 61 Q C 1.027 177.063 176.000 0.061 0.000 0.901 61 Q CA 0.657 56.481 55.803 0.034 0.000 0.938 61 Q CB 0.886 29.644 28.738 0.034 0.000 1.081 61 Q HN 0.351 nan 8.270 nan 0.000 0.517 62 G N 0.309 109.153 108.800 0.073 0.000 2.136 62 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.242 62 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.242 62 G C -0.567 174.480 174.900 0.245 0.000 0.989 62 G CA 0.057 45.239 45.100 0.136 0.000 0.682 62 G HN 0.251 nan 8.290 nan 0.000 0.522 63 D N 0.706 121.200 120.400 0.157 0.000 2.255 63 D HA 0.572 5.212 4.640 -0.000 0.000 0.249 63 D C 0.711 177.073 176.300 0.104 0.000 1.078 63 D CA 0.631 54.739 54.000 0.179 0.000 0.896 63 D CB 1.511 42.377 40.800 0.111 0.000 1.194 63 D HN 0.569 nan 8.370 nan 0.000 0.429 64 A N 3.150 126.047 122.820 0.128 0.000 2.404 64 A HA 0.255 4.575 4.320 -0.000 0.000 0.273 64 A C 0.049 177.675 177.584 0.070 0.000 1.144 64 A CA -0.358 51.701 52.037 0.037 0.000 0.806 64 A CB 0.414 19.458 19.000 0.073 0.000 1.080 64 A HN 0.339 nan 8.150 nan 0.000 0.509 65 Q N 1.008 120.842 119.800 0.057 0.000 2.377 65 Q HA 0.656 4.996 4.340 -0.000 0.000 0.271 65 Q C 0.320 176.373 176.000 0.087 0.000 1.077 65 Q CA 0.383 56.225 55.803 0.066 0.000 0.820 65 Q CB 1.961 30.730 28.738 0.052 0.000 1.347 65 Q HN 1.860 nan 8.270 nan 0.000 0.444 66 G N 2.346 111.195 108.800 0.081 0.000 2.796 66 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.571 66 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.571 66 G C -1.947 173.006 174.900 0.089 0.000 1.370 66 G CA -0.320 44.835 45.100 0.093 0.000 0.856 66 G HN 0.468 nan 8.290 nan 0.000 0.538 67 P HA -0.025 nan 4.420 nan 0.000 0.223 67 P C 1.209 178.425 177.300 -0.140 0.000 1.151 67 P CA 1.755 64.806 63.100 -0.082 0.000 0.787 67 P CB -0.031 31.555 31.700 -0.190 0.000 0.788 68 W N 0.461 121.763 121.300 0.003 0.000 2.937 68 W HA 0.263 4.923 4.660 -0.000 0.000 0.245 68 W C 2.066 178.613 176.519 0.048 0.000 1.306 68 W CA 0.470 57.823 57.345 0.014 0.000 1.470 68 W CB -0.699 28.756 29.460 -0.008 0.000 1.132 68 W HN -0.039 nan 8.180 nan 0.000 0.675 69 A N -0.219 122.722 122.820 0.202 0.000 2.278 69 A HA 0.117 4.437 4.320 -0.000 0.000 0.212 69 A C 0.492 178.153 177.584 0.129 0.000 1.213 69 A CA 0.079 52.211 52.037 0.159 0.000 0.840 69 A CB -0.398 18.676 19.000 0.123 0.000 0.866 69 A HN 0.186 nan 8.150 nan 0.000 0.489 70 E N 0.229 120.491 120.200 0.104 0.000 2.283 70 E HA 0.247 4.597 4.350 -0.000 0.000 0.271 70 E C -0.590 176.079 176.600 0.115 0.000 1.031 70 E CA -0.717 55.733 56.400 0.084 0.000 0.868 70 E CB 0.516 30.238 29.700 0.037 0.000 1.094 70 E HN 0.256 nan 8.360 nan 0.000 0.401 71 D N 1.917 122.379 120.400 0.103 0.000 2.904 71 D HA -0.170 4.470 4.640 -0.000 0.000 0.231 71 D C -1.209 175.191 176.300 0.168 0.000 1.185 71 D CA 0.556 54.627 54.000 0.119 0.000 0.783 71 D CB -0.420 40.450 40.800 0.116 0.000 0.961 71 D HN 0.236 nan 8.370 nan 0.000 0.409 72 I N 2.145 122.794 120.570 0.133 0.000 2.420 72 I HA 0.163 4.333 4.170 -0.000 0.000 0.282 72 I C 0.378 176.513 176.117 0.030 0.000 1.019 72 I CA -0.753 60.617 61.300 0.118 0.000 1.130 72 I CB 1.394 39.480 38.000 0.145 0.000 1.262 72 I HN 0.034 nan 8.210 nan 0.000 0.454 73 D N 9.241 129.630 120.400 -0.019 0.000 2.339 73 D HA 0.222 4.862 4.640 -0.000 0.000 0.256 73 D C -1.594 174.638 176.300 -0.113 0.000 1.214 73 D CA -1.719 52.249 54.000 -0.054 0.000 0.877 73 D CB 1.699 42.478 40.800 -0.034 0.000 1.111 73 D HN 0.172 nan 8.370 nan 0.000 0.478 74 P HA -0.197 nan 4.420 nan 0.000 0.217 74 P C 1.216 178.419 177.300 -0.161 0.000 1.151 74 P CA 1.072 64.003 63.100 -0.281 0.000 0.849 74 P CB 0.247 31.497 31.700 -0.750 0.000 0.787 75 Q N -0.808 118.931 119.800 -0.102 0.000 2.124 75 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 75 Q C 2.279 178.245 176.000 -0.057 0.000 0.977 75 Q CA 1.287 57.067 55.803 -0.039 0.000 0.850 75 Q CB -0.917 27.818 28.738 -0.006 0.000 0.901 75 Q HN 0.376 nan 8.270 nan 0.000 0.429 76 I N 0.414 120.927 120.570 -0.094 0.000 2.286 76 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 76 I C 2.185 178.230 176.117 -0.120 0.000 1.115 76 I CA 0.772 61.999 61.300 -0.123 0.000 1.392 76 I CB -0.244 37.585 38.000 -0.286 0.000 1.065 76 I HN 0.133 nan 8.210 nan 0.000 0.418 77 L N 0.079 121.218 121.223 -0.140 0.000 2.083 77 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 77 L C 2.713 179.378 176.870 -0.342 0.000 1.083 77 L CA 1.389 56.102 54.840 -0.211 0.000 0.752 77 L CB -0.628 41.364 42.059 -0.111 0.000 0.899 77 L HN 0.181 nan 8.230 nan 0.000 0.433 78 R N -0.248 120.129 120.500 -0.206 0.000 2.075 78 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 78 R C 2.316 178.515 176.300 -0.168 0.000 1.126 78 R CA 1.163 57.152 56.100 -0.185 0.000 0.963 78 R CB -0.287 30.042 30.300 0.047 0.000 0.858 78 R HN 0.459 nan 8.270 nan 0.000 0.435 79 Q N -0.336 119.399 119.800 -0.108 0.000 2.170 79 Q HA -0.098 4.242 4.340 -0.000 0.000 0.203 79 Q C 2.205 178.113 176.000 -0.153 0.000 0.976 79 Q CA 1.353 57.117 55.803 -0.066 0.000 0.858 79 Q CB -0.143 28.588 28.738 -0.011 0.000 0.907 79 Q HN 0.508 nan 8.270 nan 0.000 0.433 80 G N 0.572 109.171 108.800 -0.336 0.000 2.433 80 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.216 80 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.216 80 G C 1.547 176.026 174.900 -0.702 0.000 1.186 80 G CA 1.097 45.744 45.100 -0.755 0.000 0.779 80 G HN 0.278 nan 8.290 nan 0.000 0.543 81 M N 0.586 119.781 119.600 -0.675 0.000 2.080 81 M HA 0.032 4.512 4.480 -0.000 0.000 0.260 81 M C 2.777 178.913 176.300 -0.274 0.000 1.068 81 M CA 2.049 57.026 55.300 -0.538 0.000 1.109 81 M CB -1.092 30.989 32.600 -0.864 0.000 1.342 81 M HN 0.483 nan 8.290 nan 0.000 0.405 82 R N -0.258 120.151 120.500 -0.152 0.000 2.096 82 R HA -0.140 4.200 4.340 -0.000 0.000 0.240 82 R C 2.544 178.797 176.300 -0.077 0.000 1.139 82 R CA 1.866 58.038 56.100 0.120 0.000 0.952 82 R CB -0.834 29.596 30.300 0.217 0.000 0.854 82 R HN 0.705 nan 8.270 nan 0.000 0.436 83 A N 0.224 122.960 122.820 -0.140 0.000 1.902 83 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 83 A C 2.476 179.941 177.584 -0.199 0.000 1.181 83 A CA 1.581 53.511 52.037 -0.179 0.000 0.623 83 A CB -0.381 18.566 19.000 -0.089 0.000 0.818 83 A HN 0.149 nan 8.150 nan 0.000 0.443 84 M N -0.659 118.844 119.600 -0.161 0.000 2.099 84 M HA 0.001 4.481 4.480 -0.000 0.000 0.262 84 M C 2.415 178.651 176.300 -0.106 0.000 1.067 84 M CA 1.457 56.694 55.300 -0.105 0.000 1.124 84 M CB -1.563 30.990 32.600 -0.078 0.000 1.353 84 M HN 0.597 nan 8.290 nan 0.000 0.410 85 L N -0.491 120.664 121.223 -0.114 0.000 2.012 85 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 85 L C 2.657 179.400 176.870 -0.212 0.000 1.073 85 L CA 1.847 56.648 54.840 -0.065 0.000 0.748 85 L CB -0.800 41.306 42.059 0.078 0.000 0.891 85 L HN 0.386 nan 8.230 nan 0.000 0.431 86 K N -0.508 119.518 120.400 -0.622 0.000 2.044 86 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 86 K C 2.023 178.434 176.600 -0.316 0.000 1.049 86 K CA 2.165 57.939 56.287 -0.856 0.000 0.927 86 K CB -0.118 31.678 32.500 -1.173 0.000 0.713 86 K HN 0.266 nan 8.250 nan 0.000 0.443 87 T N 0.282 114.696 114.554 -0.233 0.000 2.684 87 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 87 T C 1.846 176.562 174.700 0.026 0.000 1.036 87 T CA 1.641 63.682 62.100 -0.097 0.000 1.148 87 T CB -0.235 68.572 68.868 -0.102 0.000 0.863 87 T HN 0.336 nan 8.240 nan 0.000 0.436 88 R N 0.491 120.994 120.500 0.005 0.000 2.073 88 R HA 0.010 4.350 4.340 -0.000 0.000 0.234 88 R C 2.426 178.760 176.300 0.057 0.000 1.134 88 R CA 1.310 57.438 56.100 0.047 0.000 0.952 88 R CB -0.420 29.916 30.300 0.060 0.000 0.850 88 R HN 0.381 nan 8.270 nan 0.000 0.433 89 I N 0.112 120.710 120.570 0.046 0.000 2.226 89 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 89 I C 2.110 178.255 176.117 0.047 0.000 1.100 89 I CA 1.118 62.450 61.300 0.053 0.000 1.374 89 I CB -0.330 37.720 38.000 0.083 0.000 1.057 89 I HN 0.187 nan 8.210 nan 0.000 0.413 90 F N 2.089 121.993 119.950 -0.077 0.000 2.095 90 F HA -0.303 4.224 4.527 -0.000 0.000 0.298 90 F C 2.159 177.898 175.800 -0.100 0.000 1.104 90 F CA 1.968 59.917 58.000 -0.086 0.000 1.232 90 F CB -0.297 38.649 39.000 -0.091 0.000 0.987 90 F HN 0.083 nan 8.300 nan 0.000 0.475 91 D N -0.195 120.279 120.400 0.123 0.000 2.092 91 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 91 D C 2.508 178.730 176.300 -0.131 0.000 0.994 91 D CA 1.836 55.886 54.000 0.082 0.000 0.828 91 D CB -0.641 40.279 40.800 0.200 0.000 0.963 91 D HN 0.255 nan 8.370 nan 0.000 0.450 92 S N 0.453 116.107 115.700 -0.076 0.000 2.359 92 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 92 S C 1.921 176.416 174.600 -0.174 0.000 1.035 92 S CA 0.880 59.026 58.200 -0.090 0.000 1.018 92 S CB -0.042 63.138 63.200 -0.033 0.000 0.876 92 S HN 0.202 nan 8.310 nan 0.000 0.448 93 R N 0.732 121.098 120.500 -0.224 0.000 2.096 93 R HA 0.052 4.392 4.340 -0.000 0.000 0.235 93 R C 2.364 178.421 176.300 -0.405 0.000 1.127 93 R CA 1.089 57.026 56.100 -0.271 0.000 0.968 93 R CB -0.895 29.247 30.300 -0.263 0.000 0.861 93 R HN 0.413 nan 8.270 nan 0.000 0.440 94 M N -0.188 119.019 119.600 -0.655 0.000 2.319 94 M HA -0.029 4.451 4.480 -0.000 0.000 0.265 94 M C 2.498 178.404 176.300 -0.656 0.000 1.068 94 M CA 0.750 55.520 55.300 -0.884 0.000 1.118 94 M CB -0.680 30.903 32.600 -1.694 0.000 1.395 94 M HN -0.023 nan 8.290 nan 0.000 0.435 95 V N -0.718 118.929 119.914 -0.445 0.000 2.453 95 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 95 V C 2.354 178.349 176.094 -0.166 0.000 1.048 95 V CA 1.632 63.799 62.300 -0.222 0.000 1.049 95 V CB -0.722 31.032 31.823 -0.115 0.000 0.672 95 V HN 0.449 nan 8.190 nan 0.000 0.457 96 V N 0.644 120.456 119.914 -0.170 0.000 2.233 96 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 96 V C 2.779 178.797 176.094 -0.125 0.000 1.050 96 V CA 2.222 64.447 62.300 -0.124 0.000 1.010 96 V CB -1.280 30.474 31.823 -0.115 0.000 0.637 96 V HN 0.552 nan 8.190 nan 0.000 0.444 97 A N -0.982 121.737 122.820 -0.169 0.000 1.986 97 A HA -0.311 4.009 4.320 -0.000 0.000 0.220 97 A C 2.243 179.760 177.584 -0.112 0.000 1.171 97 A CA 2.095 54.045 52.037 -0.144 0.000 0.640 97 A CB -0.559 18.327 19.000 -0.189 0.000 0.811 97 A HN 0.547 nan 8.150 nan 0.000 0.451 98 Q N -0.061 119.662 119.800 -0.129 0.000 2.079 98 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 98 Q C 2.225 178.199 176.000 -0.044 0.000 0.974 98 Q CA 1.730 57.489 55.803 -0.073 0.000 0.840 98 Q CB -0.156 28.538 28.738 -0.074 0.000 0.898 98 Q HN 0.749 nan 8.270 nan 0.000 0.430 99 R N -0.122 120.346 120.500 -0.053 0.000 2.115 99 R HA -0.057 4.283 4.340 -0.000 0.000 0.230 99 R C 2.040 178.322 176.300 -0.030 0.000 1.111 99 R CA 1.069 57.148 56.100 -0.035 0.000 0.976 99 R CB -0.029 30.248 30.300 -0.038 0.000 0.870 99 R HN 0.343 nan 8.270 nan 0.000 0.445 100 Q N 0.855 120.631 119.800 -0.040 0.000 2.431 100 Q HA 0.040 4.380 4.340 -0.000 0.000 0.210 100 Q C -0.202 175.783 176.000 -0.025 0.000 0.958 100 Q CA 0.182 55.965 55.803 -0.033 0.000 0.957 100 Q CB 0.275 28.988 28.738 -0.042 0.000 1.007 100 Q HN 0.180 nan 8.270 nan 0.000 0.511 101 K N -0.451 119.937 120.400 -0.020 0.000 3.130 101 K HA -0.267 4.053 4.320 -0.000 0.000 0.282 101 K C 0.552 177.147 176.600 -0.008 0.000 1.145 101 K CA 0.928 57.210 56.287 -0.008 0.000 0.831 101 K CB -0.809 31.690 32.500 -0.003 0.000 1.226 101 K HN 0.247 nan 8.250 nan 0.000 0.478 102 K N -0.117 120.270 120.400 -0.022 0.000 2.228 102 K HA 0.053 4.373 4.320 -0.000 0.000 0.202 102 K C 0.977 177.570 176.600 -0.012 0.000 1.051 102 K CA 1.046 57.321 56.287 -0.021 0.000 0.960 102 K CB 0.247 32.724 32.500 -0.039 0.000 0.743 102 K HN 0.138 nan 8.250 nan 0.000 0.458 103 M N -0.873 118.718 119.600 -0.014 0.000 2.591 103 M HA 0.212 4.692 4.480 -0.000 0.000 0.306 103 M C 0.708 177.031 176.300 0.039 0.000 1.190 103 M CA -0.466 54.840 55.300 0.009 0.000 0.889 103 M CB 1.506 34.095 32.600 -0.017 0.000 1.728 103 M HN -0.010 nan 8.290 nan 0.000 0.458 104 S N 1.328 117.074 115.700 0.078 0.000 2.478 104 S HA 0.268 4.738 4.470 -0.000 0.000 0.222 104 S C -0.109 174.618 174.600 0.212 0.000 1.008 104 S CA 0.605 58.869 58.200 0.106 0.000 0.928 104 S CB -0.096 63.153 63.200 0.080 0.000 0.781 104 S HN 1.170 nan 8.310 nan 0.000 0.518 105 F N 0.084 120.039 119.950 0.010 0.000 2.714 105 F HA 0.524 5.051 4.527 -0.000 0.000 0.313 105 F C -2.015 173.837 175.800 0.087 0.000 1.104 105 F CA -1.089 56.916 58.000 0.009 0.000 1.005 105 F CB 0.414 39.390 39.000 -0.040 0.000 1.268 105 F HN 0.041 nan 8.300 nan 0.000 0.449 106 Y N 4.508 124.238 120.300 -0.951 0.000 2.609 106 Y HA 0.774 5.324 4.550 -0.000 0.000 0.336 106 Y C -1.669 173.701 175.900 -0.883 0.000 1.129 106 Y CA -0.902 56.730 58.100 -0.780 0.000 1.040 106 Y CB 2.351 40.596 38.460 -0.358 0.000 1.310 106 Y HN 0.612 nan 8.280 nan 0.000 0.460 107 M N 3.775 122.637 119.600 -1.231 0.000 2.151 107 M HA 0.443 4.923 4.480 -0.000 0.000 0.290 107 M C -0.776 175.163 176.300 -0.601 0.000 0.965 107 M CA -0.922 53.915 55.300 -0.772 0.000 0.930 107 M CB 1.265 33.483 32.600 -0.636 0.000 1.560 107 M HN 0.763 nan 8.290 nan 0.000 0.438 108 Q N 0.598 120.268 119.800 -0.216 0.000 2.382 108 Q HA 0.476 4.816 4.340 -0.000 0.000 0.229 108 Q C 0.721 176.674 176.000 -0.077 0.000 1.006 108 Q CA 0.002 55.783 55.803 -0.037 0.000 0.916 108 Q CB 0.901 29.637 28.738 -0.004 0.000 1.235 108 Q HN 0.973 nan 8.270 nan 0.000 0.512 109 S N 0.102 115.782 115.700 -0.033 0.000 2.741 109 S HA 0.156 4.626 4.470 -0.000 0.000 0.247 109 S C -0.185 174.368 174.600 -0.079 0.000 1.050 109 S CA -0.543 57.623 58.200 -0.056 0.000 1.025 109 S CB 0.108 63.280 63.200 -0.046 0.000 0.897 109 S HN 0.443 nan 8.310 nan 0.000 0.508 110 L N 3.167 124.324 121.223 -0.109 0.000 2.667 110 L HA 0.409 4.749 4.340 -0.000 0.000 0.278 110 L C 1.275 177.967 176.870 -0.297 0.000 1.217 110 L CA 2.169 56.900 54.840 -0.181 0.000 0.935 110 L CB -0.651 41.264 42.059 -0.240 0.000 1.193 110 L HN 0.711 nan 8.230 nan 0.000 0.493 111 G N 3.064 111.756 108.800 -0.181 0.000 2.195 111 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 111 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 111 G C 0.710 175.627 174.900 0.029 0.000 0.984 111 G CA 0.430 45.486 45.100 -0.073 0.000 0.633 111 G HN 0.652 nan 8.290 nan 0.000 0.525 112 E N -0.091 120.096 120.200 -0.021 0.000 2.538 112 E HA 0.261 4.611 4.350 -0.000 0.000 0.207 112 E C 1.513 178.094 176.600 -0.031 0.000 1.002 112 E CA 0.091 56.481 56.400 -0.016 0.000 0.952 112 E CB 0.244 29.915 29.700 -0.049 0.000 1.031 112 E HN 0.495 nan 8.360 nan 0.000 0.476 113 E N 1.193 121.393 120.200 -0.001 0.000 2.209 113 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 113 E C 1.911 178.523 176.600 0.020 0.000 0.993 113 E CA 1.231 57.626 56.400 -0.008 0.000 0.819 113 E CB -0.105 29.603 29.700 0.013 0.000 0.745 113 E HN 0.288 nan 8.360 nan 0.000 0.477 114 A N 0.508 123.366 122.820 0.064 0.000 1.897 114 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 114 A C 2.131 179.659 177.584 -0.093 0.000 1.181 114 A CA 0.974 53.099 52.037 0.146 0.000 0.620 114 A CB -0.512 18.599 19.000 0.184 0.000 0.821 114 A HN 0.167 nan 8.150 nan 0.000 0.443 115 I N -0.082 120.348 120.570 -0.233 0.000 2.058 115 I HA -0.239 3.931 4.170 -0.000 0.000 0.235 115 I C 2.805 178.680 176.117 -0.403 0.000 1.053 115 I CA 1.461 62.456 61.300 -0.508 0.000 1.313 115 I CB -1.023 36.684 38.000 -0.490 0.000 1.039 115 I HN 0.351 nan 8.210 nan 0.000 0.396 116 G N 0.669 109.234 108.800 -0.391 0.000 2.491 116 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.218 116 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.218 116 G C 1.802 176.580 174.900 -0.203 0.000 1.180 116 G CA 1.578 46.402 45.100 -0.460 0.000 0.774 116 G HN 0.529 nan 8.290 nan 0.000 0.562 117 S N 0.702 116.342 115.700 -0.100 0.000 2.382 117 S HA 0.029 4.499 4.470 -0.000 0.000 0.228 117 S C 2.451 177.117 174.600 0.111 0.000 1.027 117 S CA 1.636 59.863 58.200 0.045 0.000 0.991 117 S CB -0.852 62.431 63.200 0.137 0.000 0.823 117 S HN 0.523 nan 8.310 nan 0.000 0.469 118 G N 1.119 109.871 108.800 -0.081 0.000 2.404 118 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.215 118 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.215 118 G C 1.488 176.332 174.900 -0.093 0.000 1.174 118 G CA 0.823 45.680 45.100 -0.406 0.000 0.780 118 G HN 0.611 nan 8.290 nan 0.000 0.537 119 Q N 0.130 119.911 119.800 -0.032 0.000 2.079 119 Q HA 0.070 4.410 4.340 -0.000 0.000 0.200 119 Q C 2.782 178.877 176.000 0.158 0.000 0.974 119 Q CA 1.542 57.426 55.803 0.135 0.000 0.840 119 Q CB -0.351 28.605 28.738 0.363 0.000 0.898 119 Q HN 0.378 nan 8.270 nan 0.000 0.430 120 A N 0.798 123.695 122.820 0.130 0.000 1.892 120 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 120 A C 1.963 179.628 177.584 0.134 0.000 1.188 120 A CA 1.561 53.667 52.037 0.114 0.000 0.631 120 A CB -0.835 18.199 19.000 0.057 0.000 0.822 120 A HN 0.492 nan 8.150 nan 0.000 0.447 121 L N -1.322 120.007 121.223 0.176 0.000 2.478 121 L HA -0.021 4.319 4.340 -0.000 0.000 0.223 121 L C 2.649 179.711 176.870 0.320 0.000 1.140 121 L CA 0.577 55.557 54.840 0.234 0.000 0.842 121 L CB -0.315 41.909 42.059 0.275 0.000 0.953 121 L HN 0.458 nan 8.230 nan 0.000 0.452 122 A N -0.403 122.568 122.820 0.251 0.000 2.095 122 A HA 0.249 4.569 4.320 -0.000 0.000 0.212 122 A C 1.151 178.790 177.584 0.092 0.000 1.162 122 A CA 0.116 52.226 52.037 0.122 0.000 0.753 122 A CB 0.098 19.031 19.000 -0.112 0.000 0.840 122 A HN 0.213 nan 8.150 nan 0.000 0.468 123 L N -0.566 120.723 121.223 0.110 0.000 2.544 123 L HA 0.326 4.666 4.340 -0.000 0.000 0.256 123 L C -0.068 176.858 176.870 0.092 0.000 1.097 123 L CA -0.892 54.003 54.840 0.091 0.000 0.812 123 L CB 0.501 42.618 42.059 0.097 0.000 1.440 123 L HN 0.217 nan 8.230 nan 0.000 0.496 124 N N -0.827 117.921 118.700 0.080 0.000 2.489 124 N HA 0.281 5.021 4.740 -0.000 0.000 0.284 124 N C 0.373 175.924 175.510 0.070 0.000 1.158 124 N CA -0.776 52.320 53.050 0.076 0.000 0.965 124 N CB 1.492 40.023 38.487 0.074 0.000 1.195 124 N HN 0.401 nan 8.380 nan 0.000 0.506 125 R N -0.007 120.531 120.500 0.063 0.000 2.127 125 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 125 R C 1.510 177.844 176.300 0.058 0.000 1.134 125 R CA 1.904 58.036 56.100 0.053 0.000 0.975 125 R CB -0.311 30.016 30.300 0.046 0.000 0.865 125 R HN 0.789 nan 8.270 nan 0.000 0.447 126 T N -1.997 112.603 114.554 0.076 0.000 3.067 126 T HA 0.003 4.353 4.350 -0.000 0.000 0.261 126 T C 0.236 175.012 174.700 0.127 0.000 1.110 126 T CA 0.077 62.243 62.100 0.110 0.000 1.113 126 T CB -0.025 68.918 68.868 0.125 0.000 0.917 126 T HN 0.015 nan 8.240 nan 0.000 0.499 127 D N 2.629 123.077 120.400 0.081 0.000 2.346 127 D HA 0.151 4.791 4.640 -0.000 0.000 0.260 127 D C -0.333 175.893 176.300 -0.123 0.000 1.252 127 D CA 0.106 54.123 54.000 0.029 0.000 0.895 127 D CB 0.871 41.702 40.800 0.051 0.000 1.097 127 D HN 0.186 nan 8.370 nan 0.000 0.489 128 M N 3.668 122.997 119.600 -0.451 0.000 2.188 128 M HA 0.135 4.615 4.480 -0.000 0.000 0.354 128 M C -0.363 175.694 176.300 -0.405 0.000 1.342 128 M CA -0.824 54.107 55.300 -0.615 0.000 1.117 128 M CB -0.430 31.387 32.600 -1.306 0.000 1.670 128 M HN 0.475 nan 8.290 nan 0.000 0.466 129 C N 5.658 124.819 119.300 -0.233 0.000 2.405 129 C HA 0.643 5.103 4.460 -0.000 0.000 0.365 129 C C -0.160 174.701 174.990 -0.214 0.000 1.233 129 C CA -0.571 58.442 59.018 -0.009 0.000 2.230 129 C CB -0.337 27.475 27.740 0.120 0.000 2.443 129 C HN 0.893 nan 8.230 nan 0.000 0.556 130 F N 3.599 123.550 119.950 0.002 0.000 2.363 130 F HA 0.359 4.886 4.527 -0.000 0.000 0.366 130 F C -1.812 174.089 175.800 0.168 0.000 1.083 130 F CA -2.214 55.784 58.000 -0.002 0.000 1.176 130 F CB 0.503 39.434 39.000 -0.116 0.000 1.432 130 F HN 0.396 nan 8.300 nan 0.000 0.482 131 P HA 0.299 nan 4.420 nan 0.000 0.281 131 P C 0.036 177.308 177.300 -0.048 0.000 1.264 131 P CA -0.282 62.732 63.100 -0.143 0.000 0.824 131 P CB 1.706 33.008 31.700 -0.663 0.000 1.092 132 T N -1.515 112.995 114.554 -0.075 0.000 2.891 132 T HA 0.190 4.540 4.350 -0.000 0.000 0.294 132 T C 1.158 175.753 174.700 -0.174 0.000 1.065 132 T CA -0.104 61.877 62.100 -0.199 0.000 0.936 132 T CB -0.465 68.145 68.868 -0.431 0.000 1.415 132 T HN 0.451 nan 8.240 nan 0.000 0.572 133 Y N -1.342 118.987 120.300 0.049 0.000 2.578 133 Y HA 0.403 4.953 4.550 -0.000 0.000 0.297 133 Y C 1.953 177.855 175.900 0.003 0.000 1.176 133 Y CA -0.324 57.801 58.100 0.042 0.000 1.315 133 Y CB -0.547 37.922 38.460 0.014 0.000 1.031 133 Y HN 0.343 nan 8.280 nan 0.000 0.524 134 R N 0.420 120.884 120.500 -0.059 0.000 2.633 134 R HA 0.188 4.528 4.340 -0.000 0.000 0.348 134 R C -0.103 176.129 176.300 -0.113 0.000 1.100 134 R CA 0.022 56.105 56.100 -0.028 0.000 1.068 134 R CB 0.274 30.549 30.300 -0.042 0.000 1.351 134 R HN 0.254 nan 8.270 nan 0.000 0.575 135 Q N 0.273 120.005 119.800 -0.114 0.000 2.182 135 Q HA 0.015 4.355 4.340 -0.000 0.000 0.270 135 Q C 1.211 177.163 176.000 -0.081 0.000 0.861 135 Q CA -0.171 55.490 55.803 -0.237 0.000 1.098 135 Q CB 1.011 29.407 28.738 -0.570 0.000 1.188 135 Q HN 0.211 nan 8.270 nan 0.000 0.464 136 Q N -0.842 118.933 119.800 -0.041 0.000 2.297 136 Q HA -0.191 4.149 4.340 -0.000 0.000 0.208 136 Q C 1.282 177.141 176.000 -0.235 0.000 0.981 136 Q CA 1.901 57.615 55.803 -0.149 0.000 0.876 136 Q CB -0.424 28.259 28.738 -0.092 0.000 0.921 136 Q HN 0.393 nan 8.270 nan 0.000 0.446 137 S N 0.930 116.520 115.700 -0.183 0.000 2.419 137 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 137 S C 2.023 176.514 174.600 -0.182 0.000 1.019 137 S CA 1.054 59.144 58.200 -0.182 0.000 0.982 137 S CB -0.661 62.451 63.200 -0.148 0.000 0.789 137 S HN 0.420 nan 8.310 nan 0.000 0.490 138 I N 1.377 121.841 120.570 -0.178 0.000 2.202 138 I HA -0.146 4.024 4.170 -0.000 0.000 0.242 138 I C 2.419 178.442 176.117 -0.157 0.000 1.091 138 I CA 1.188 62.419 61.300 -0.115 0.000 1.368 138 I CB -0.511 37.468 38.000 -0.034 0.000 1.058 138 I HN 0.269 nan 8.210 nan 0.000 0.410 139 L N -0.477 120.560 121.223 -0.310 0.000 2.079 139 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 139 L C 2.929 179.583 176.870 -0.360 0.000 1.081 139 L CA 1.115 55.677 54.840 -0.462 0.000 0.752 139 L CB -0.546 41.034 42.059 -0.798 0.000 0.896 139 L HN 0.203 nan 8.230 nan 0.000 0.433 140 M N -0.975 118.418 119.600 -0.345 0.000 2.200 140 M HA -0.000 4.480 4.480 -0.000 0.000 0.265 140 M C 2.549 178.732 176.300 -0.195 0.000 1.066 140 M CA 1.511 56.629 55.300 -0.303 0.000 1.127 140 M CB -1.205 31.197 32.600 -0.330 0.000 1.379 140 M HN 0.523 nan 8.290 nan 0.000 0.420 141 A N -0.694 122.041 122.820 -0.141 0.000 2.066 141 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 141 A C 2.122 179.678 177.584 -0.046 0.000 1.157 141 A CA 1.227 53.227 52.037 -0.062 0.000 0.670 141 A CB -0.418 18.576 19.000 -0.010 0.000 0.804 141 A HN 0.645 nan 8.150 nan 0.000 0.453 142 R N -1.154 119.298 120.500 -0.080 0.000 2.393 142 R HA 0.123 4.463 4.340 -0.000 0.000 0.244 142 R C -0.435 175.816 176.300 -0.080 0.000 0.920 142 R CA 0.362 56.425 56.100 -0.060 0.000 1.076 142 R CB 0.054 30.321 30.300 -0.055 0.000 1.119 142 R HN 0.413 nan 8.270 nan 0.000 0.524 143 D N 0.382 120.720 120.400 -0.103 0.000 2.699 143 D HA -0.139 4.501 4.640 -0.000 0.000 0.239 143 D C -0.796 175.435 176.300 -0.115 0.000 1.136 143 D CA 0.326 54.271 54.000 -0.092 0.000 0.668 143 D CB -0.525 40.253 40.800 -0.037 0.000 1.060 143 D HN -0.094 nan 8.370 nan 0.000 0.429 144 V N 0.557 120.359 119.914 -0.185 0.000 2.811 144 V HA 0.180 4.300 4.120 -0.000 0.000 0.302 144 V C 1.161 177.144 176.094 -0.184 0.000 1.063 144 V CA 0.026 62.203 62.300 -0.204 0.000 1.088 144 V CB 1.672 33.305 31.823 -0.317 0.000 0.982 144 V HN 0.416 nan 8.190 nan 0.000 0.485 145 S N 3.289 118.906 115.700 -0.137 0.000 2.546 145 S HA 0.104 4.574 4.470 -0.000 0.000 0.290 145 S C 1.026 175.557 174.600 -0.116 0.000 1.262 145 S CA -0.379 57.763 58.200 -0.097 0.000 1.083 145 S CB -0.113 63.047 63.200 -0.067 0.000 0.859 145 S HN 0.535 nan 8.310 nan 0.000 0.495 146 L N 5.675 126.853 121.223 -0.076 0.000 2.109 146 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 146 L C 2.439 179.346 176.870 0.061 0.000 1.086 146 L CA 0.637 55.464 54.840 -0.023 0.000 0.760 146 L CB -0.780 41.319 42.059 0.066 0.000 0.910 146 L HN 0.558 nan 8.230 nan 0.000 0.437 147 V N 0.197 120.135 119.914 0.039 0.000 2.252 147 V HA -0.311 3.809 4.120 -0.000 0.000 0.249 147 V C 2.410 178.520 176.094 0.026 0.000 1.056 147 V CA 2.045 64.372 62.300 0.045 0.000 1.022 147 V CB -0.571 31.269 31.823 0.028 0.000 0.641 147 V HN 0.466 nan 8.190 nan 0.000 0.445 148 E N -0.694 119.500 120.200 -0.011 0.000 2.150 148 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 148 E C 2.358 178.975 176.600 0.028 0.000 0.985 148 E CA 1.617 58.005 56.400 -0.020 0.000 0.814 148 E CB -0.151 29.520 29.700 -0.049 0.000 0.752 148 E HN 0.482 nan 8.360 nan 0.000 0.466 149 M N 0.179 119.792 119.600 0.023 0.000 2.099 149 M HA -0.076 4.404 4.480 -0.000 0.000 0.262 149 M C 2.402 178.882 176.300 0.301 0.000 1.067 149 M CA 1.179 56.550 55.300 0.117 0.000 1.124 149 M CB -0.684 31.843 32.600 -0.122 0.000 1.353 149 M HN 0.226 nan 8.290 nan 0.000 0.410 150 I N -0.655 120.068 120.570 0.255 0.000 2.286 150 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 150 I C 2.595 178.792 176.117 0.133 0.000 1.115 150 I CA 1.057 62.480 61.300 0.205 0.000 1.392 150 I CB -0.678 37.403 38.000 0.134 0.000 1.065 150 I HN 0.388 nan 8.210 nan 0.000 0.418 151 C N 0.115 119.477 119.300 0.103 0.000 2.413 151 C HA -0.208 4.252 4.460 -0.000 0.000 0.277 151 C C 2.919 177.952 174.990 0.072 0.000 1.228 151 C CA 1.040 60.098 59.018 0.066 0.000 1.731 151 C CB -1.011 26.735 27.740 0.010 0.000 2.042 151 C HN 0.547 nan 8.230 nan 0.000 0.468 152 Q N 0.528 120.386 119.800 0.097 0.000 2.096 152 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 152 Q C 2.165 178.202 176.000 0.062 0.000 0.982 152 Q CA 1.674 57.524 55.803 0.078 0.000 0.850 152 Q CB -0.504 28.305 28.738 0.117 0.000 0.901 152 Q HN 0.699 nan 8.270 nan 0.000 0.422 153 L N 0.276 121.569 121.223 0.115 0.000 2.129 153 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 153 L C 2.351 179.263 176.870 0.069 0.000 1.087 153 L CA 0.903 55.806 54.840 0.105 0.000 0.757 153 L CB -0.290 41.870 42.059 0.169 0.000 0.896 153 L HN 0.220 nan 8.230 nan 0.000 0.434 154 L N -1.886 119.374 121.223 0.063 0.000 2.477 154 L HA 0.078 4.418 4.340 -0.000 0.000 0.220 154 L C 0.966 177.864 176.870 0.045 0.000 1.106 154 L CA -0.127 54.742 54.840 0.049 0.000 0.851 154 L CB 0.021 42.111 42.059 0.052 0.000 0.994 154 L HN 0.098 nan 8.230 nan 0.000 0.462 155 S N 1.314 117.038 115.700 0.041 0.000 3.711 155 S HA -0.137 4.333 4.470 -0.000 0.000 0.374 155 S C 0.286 174.912 174.600 0.042 0.000 0.969 155 S CA 0.069 58.287 58.200 0.030 0.000 1.198 155 S CB -1.363 61.848 63.200 0.018 0.000 0.903 155 S HN 0.453 nan 8.310 nan 0.000 0.493 156 N N 1.396 120.127 118.700 0.052 0.000 2.347 156 N HA 0.166 4.906 4.740 -0.000 0.000 0.253 156 N C 1.379 176.932 175.510 0.072 0.000 1.274 156 N CA -0.316 52.782 53.050 0.079 0.000 0.941 156 N CB 0.251 38.789 38.487 0.086 0.000 1.200 156 N HN 0.479 nan 8.380 nan 0.000 0.514 157 E N -0.013 120.256 120.200 0.114 0.000 2.333 157 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 157 E C 0.790 177.414 176.600 0.040 0.000 1.007 157 E CA 0.822 57.283 56.400 0.102 0.000 0.845 157 E CB 0.203 30.006 29.700 0.172 0.000 0.766 157 E HN 0.197 nan 8.360 nan 0.000 0.507 158 R N 0.977 121.472 120.500 -0.009 0.000 2.397 158 R HA 0.032 4.372 4.340 -0.000 0.000 0.241 158 R C -0.348 175.896 176.300 -0.092 0.000 0.914 158 R CA -0.077 55.927 56.100 -0.160 0.000 1.071 158 R CB 0.201 30.222 30.300 -0.464 0.000 1.116 158 R HN -0.042 nan 8.270 nan 0.000 0.524 159 D N 0.527 120.911 120.400 -0.026 0.000 2.472 159 D HA -0.025 4.615 4.640 -0.000 0.000 0.248 159 D C -1.592 174.699 176.300 -0.015 0.000 1.174 159 D CA -1.577 52.419 54.000 -0.007 0.000 0.883 159 D CB 1.462 42.268 40.800 0.010 0.000 1.149 159 D HN 0.010 nan 8.370 nan 0.000 0.488 160 P HA -0.054 nan 4.420 nan 0.000 0.222 160 P C 0.857 178.154 177.300 -0.005 0.000 1.147 160 P CA 0.915 64.008 63.100 -0.011 0.000 0.790 160 P CB 0.175 31.873 31.700 -0.002 0.000 0.780 161 L N -1.172 120.050 121.223 -0.002 0.000 2.700 161 L HA 0.223 4.563 4.340 -0.000 0.000 0.234 161 L C 0.326 177.188 176.870 -0.014 0.000 1.156 161 L CA -0.161 54.673 54.840 -0.010 0.000 0.946 161 L CB -0.604 41.448 42.059 -0.012 0.000 1.216 161 L HN -0.086 nan 8.230 nan 0.000 0.493 162 K N 0.527 120.921 120.400 -0.010 0.000 3.035 162 K HA -0.253 4.067 4.320 -0.000 0.000 0.262 162 K C 1.119 177.710 176.600 -0.015 0.000 1.024 162 K CA 0.403 56.685 56.287 -0.009 0.000 0.748 162 K CB -2.053 30.442 32.500 -0.009 0.000 1.247 162 K HN 0.653 nan 8.250 nan 0.000 0.482 163 G N 0.086 108.879 108.800 -0.012 0.000 2.168 163 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.263 163 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.263 163 G C 0.770 175.650 174.900 -0.034 0.000 0.977 163 G CA 0.779 45.869 45.100 -0.017 0.000 0.659 163 G HN 0.520 nan 8.290 nan 0.000 0.533 164 R N -0.640 119.837 120.500 -0.039 0.000 2.280 164 R HA 0.126 4.466 4.340 -0.000 0.000 0.207 164 R C 1.092 177.361 176.300 -0.051 0.000 1.043 164 R CA 1.204 57.273 56.100 -0.052 0.000 1.006 164 R CB 0.147 30.416 30.300 -0.052 0.000 0.885 164 R HN 0.477 nan 8.270 nan 0.000 0.467 165 Q N 0.427 120.200 119.800 -0.045 0.000 2.347 165 Q HA 0.255 4.595 4.340 -0.000 0.000 0.271 165 Q C -1.466 174.503 176.000 -0.052 0.000 1.064 165 Q CA -0.774 54.998 55.803 -0.051 0.000 0.800 165 Q CB 1.686 30.394 28.738 -0.050 0.000 1.304 165 Q HN 0.017 nan 8.270 nan 0.000 0.438 166 L N 5.296 126.481 121.223 -0.062 0.000 2.543 166 L HA 0.253 4.593 4.340 -0.000 0.000 0.285 166 L C -2.175 174.674 176.870 -0.035 0.000 1.236 166 L CA -0.540 54.264 54.840 -0.061 0.000 0.871 166 L CB 0.268 42.258 42.059 -0.114 0.000 1.121 166 L HN 0.612 nan 8.230 nan 0.000 0.501 167 P HA 0.033 nan 4.420 nan 0.000 0.264 167 P C 0.729 177.991 177.300 -0.063 0.000 1.179 167 P CA 1.108 64.216 63.100 0.014 0.000 0.763 167 P CB 0.220 32.003 31.700 0.138 0.000 0.806 168 I N -2.427 117.916 120.570 -0.379 0.000 4.610 168 I HA -0.302 3.868 4.170 -0.000 0.000 0.138 168 I C 0.288 176.026 176.117 -0.632 0.000 1.609 168 I CA 0.913 61.784 61.300 -0.716 0.000 1.264 168 I CB -1.823 35.997 38.000 -0.300 0.000 2.286 168 I HN 0.075 nan 8.210 nan 0.000 0.199 169 M N 2.416 121.835 119.600 -0.302 0.000 3.705 169 M HA 0.342 4.822 4.480 -0.000 0.000 0.191 169 M C 0.073 176.331 176.300 -0.069 0.000 1.570 169 M CA 0.068 55.308 55.300 -0.099 0.000 1.714 169 M CB -2.420 30.154 32.600 -0.043 0.000 1.148 169 M HN 0.306 nan 8.290 nan 0.000 0.547 170 Y N -0.546 119.838 120.300 0.141 0.000 2.459 170 Y HA 0.314 4.864 4.550 -0.000 0.000 0.349 170 Y C 1.143 177.132 175.900 0.149 0.000 1.266 170 Y CA 0.251 58.417 58.100 0.110 0.000 1.483 170 Y CB 0.435 38.907 38.460 0.020 0.000 1.362 170 Y HN 0.454 nan 8.280 nan 0.000 0.628 171 S N 0.648 116.504 115.700 0.261 0.000 2.750 171 S HA 0.557 5.027 4.470 -0.000 0.000 0.276 171 S C -1.844 172.824 174.600 0.114 0.000 1.165 171 S CA -0.696 57.596 58.200 0.153 0.000 1.047 171 S CB 0.282 63.483 63.200 0.002 0.000 1.056 171 S HN 0.410 nan 8.310 nan 0.000 0.481 172 V N 6.958 126.973 119.914 0.168 0.000 2.465 172 V HA 0.406 4.526 4.120 -0.000 0.000 0.263 172 V C 1.244 177.386 176.094 0.079 0.000 0.981 172 V CA -0.654 61.681 62.300 0.058 0.000 0.838 172 V CB 0.672 32.447 31.823 -0.081 0.000 1.068 172 V HN 0.883 nan 8.190 nan 0.000 0.458 173 R N 2.352 122.882 120.500 0.051 0.000 2.091 173 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 173 R C 2.039 178.371 176.300 0.053 0.000 1.136 173 R CA 2.067 58.202 56.100 0.058 0.000 0.959 173 R CB 0.156 30.494 30.300 0.064 0.000 0.856 173 R HN 0.737 nan 8.270 nan 0.000 0.437 174 E N 0.331 120.551 120.200 0.034 0.000 2.268 174 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 174 E C 0.645 177.256 176.600 0.019 0.000 0.995 174 E CA 1.314 57.730 56.400 0.027 0.000 0.836 174 E CB 0.131 29.838 29.700 0.011 0.000 0.763 174 E HN 0.477 nan 8.360 nan 0.000 0.491 175 A N -0.067 122.761 122.820 0.013 0.000 2.423 175 A HA 0.417 4.737 4.320 -0.000 0.000 0.246 175 A C 1.246 178.857 177.584 0.045 0.000 1.278 175 A CA 0.566 52.607 52.037 0.007 0.000 0.903 175 A CB -0.074 18.895 19.000 -0.053 0.000 0.997 175 A HN 0.276 nan 8.150 nan 0.000 0.510 176 G N -0.807 108.019 108.800 0.044 0.000 2.298 176 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.287 176 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.287 176 G C -0.247 174.661 174.900 0.014 0.000 1.075 176 G CA 0.431 45.528 45.100 -0.004 0.000 0.960 176 G HN 0.896 nan 8.290 nan 0.000 0.502 177 F N 0.656 120.529 119.950 -0.128 0.000 2.610 177 F HA 0.637 5.164 4.527 -0.000 0.000 0.355 177 F C 0.096 175.829 175.800 -0.112 0.000 1.140 177 F CA -1.838 56.087 58.000 -0.124 0.000 1.037 177 F CB 0.593 39.524 39.000 -0.116 0.000 1.287 177 F HN 0.155 nan 8.300 nan 0.000 0.457 178 F N 4.889 124.519 119.950 -0.533 0.000 2.471 178 F HA 0.246 4.773 4.527 -0.000 0.000 0.353 178 F C 1.022 176.667 175.800 -0.258 0.000 1.113 178 F CA 0.067 57.775 58.000 -0.486 0.000 1.262 178 F CB 0.828 39.239 39.000 -0.982 0.000 1.146 178 F HN 0.465 nan 8.300 nan 0.000 0.578 179 T N 7.275 121.295 114.554 -0.890 0.000 2.765 179 T HA 0.038 4.388 4.350 -0.000 0.000 0.275 179 T C 0.278 174.744 174.700 -0.389 0.000 1.007 179 T CA -0.190 61.564 62.100 -0.575 0.000 1.175 179 T CB -0.785 67.711 68.868 -0.620 0.000 0.993 179 T HN 0.454 nan 8.240 nan 0.000 0.510 180 I N 4.917 125.427 120.570 -0.099 0.000 2.529 180 I HA 0.238 4.408 4.170 -0.000 0.000 0.284 180 I C 0.815 176.942 176.117 0.017 0.000 1.082 180 I CA -0.127 61.179 61.300 0.009 0.000 1.406 180 I CB 1.317 39.383 38.000 0.110 0.000 1.405 180 I HN 0.585 nan 8.210 nan 0.000 0.548 181 S N 3.519 119.262 115.700 0.071 0.000 2.537 181 S HA 0.502 4.972 4.470 -0.000 0.000 0.301 181 S C 1.020 175.684 174.600 0.107 0.000 1.092 181 S CA -0.319 57.925 58.200 0.073 0.000 1.048 181 S CB 1.698 64.953 63.200 0.093 0.000 1.053 181 S HN 0.799 nan 8.310 nan 0.000 0.501 182 G N 2.598 111.442 108.800 0.074 0.000 2.422 182 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.218 182 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.218 182 G C 0.145 175.105 174.900 0.100 0.000 1.140 182 G CA 0.164 45.311 45.100 0.079 0.000 0.775 182 G HN 0.742 nan 8.290 nan 0.000 0.545 183 N N 0.738 119.488 118.700 0.084 0.000 2.452 183 N HA 0.375 5.115 4.740 -0.000 0.000 0.266 183 N C -0.183 175.390 175.510 0.105 0.000 1.175 183 N CA -0.168 52.931 53.050 0.083 0.000 0.945 183 N CB 1.386 39.913 38.487 0.067 0.000 1.063 183 N HN 0.105 nan 8.380 nan 0.000 0.472 184 L N 1.730 123.014 121.223 0.101 0.000 2.467 184 L HA 0.150 4.490 4.340 -0.000 0.000 0.270 184 L C 1.394 178.312 176.870 0.080 0.000 1.205 184 L CA 0.097 54.993 54.840 0.094 0.000 0.828 184 L CB 0.363 42.468 42.059 0.077 0.000 1.101 184 L HN 0.826 nan 8.230 nan 0.000 0.479 185 A N 0.456 123.319 122.820 0.072 0.000 4.219 185 A HA -0.320 4.000 4.320 -0.000 0.000 0.252 185 A C 1.846 179.525 177.584 0.159 0.000 0.737 185 A CA 1.900 53.992 52.037 0.093 0.000 1.245 185 A CB -2.507 16.535 19.000 0.070 0.000 1.105 185 A HN 0.950 nan 8.150 nan 0.000 0.713 186 T N -0.639 113.996 114.554 0.136 0.000 2.685 186 T HA -0.351 3.999 4.350 -0.000 0.000 0.268 186 T C 1.875 176.662 174.700 0.145 0.000 1.034 186 T CA 2.172 64.349 62.100 0.129 0.000 1.149 186 T CB -0.747 68.197 68.868 0.127 0.000 0.860 186 T HN 1.269 nan 8.240 nan 0.000 0.449 187 Q N 0.266 120.192 119.800 0.210 0.000 2.226 187 Q HA -0.073 4.267 4.340 -0.000 0.000 0.204 187 Q C 2.028 178.088 176.000 0.100 0.000 0.975 187 Q CA 1.102 57.049 55.803 0.240 0.000 0.866 187 Q CB -1.063 27.904 28.738 0.383 0.000 0.915 187 Q HN 0.531 nan 8.270 nan 0.000 0.440 188 F N 1.605 121.546 119.950 -0.015 0.000 2.171 188 F HA -0.142 4.385 4.527 -0.000 0.000 0.300 188 F C 2.265 177.962 175.800 -0.172 0.000 1.090 188 F CA 1.000 58.960 58.000 -0.066 0.000 1.293 188 F CB -0.049 38.975 39.000 0.040 0.000 1.013 188 F HN -0.094 nan 8.300 nan 0.000 0.486 189 V N -0.442 119.453 119.914 -0.031 0.000 2.323 189 V HA -0.298 3.822 4.120 -0.000 0.000 0.244 189 V C 2.186 178.082 176.094 -0.330 0.000 1.041 189 V CA 1.954 64.142 62.300 -0.186 0.000 1.025 189 V CB -0.875 30.856 31.823 -0.153 0.000 0.656 189 V HN 0.271 nan 8.190 nan 0.000 0.451 190 Q N 0.140 119.750 119.800 -0.317 0.000 2.152 190 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 190 Q C 2.371 177.819 176.000 -0.920 0.000 0.985 190 Q CA 1.939 57.481 55.803 -0.436 0.000 0.863 190 Q CB -0.511 28.071 28.738 -0.260 0.000 0.904 190 Q HN 0.690 nan 8.270 nan 0.000 0.422 191 A N 0.261 122.287 122.820 -1.323 0.000 1.865 191 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 191 A C 2.346 179.511 177.584 -0.699 0.000 1.191 191 A CA 1.652 52.727 52.037 -1.602 0.000 0.623 191 A CB -0.932 17.407 19.000 -1.102 0.000 0.826 191 A HN 0.229 nan 8.150 nan 0.000 0.444 192 V N 0.074 119.685 119.914 -0.504 0.000 2.282 192 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 192 V C 2.826 178.796 176.094 -0.205 0.000 1.057 192 V CA 2.171 64.298 62.300 -0.288 0.000 1.032 192 V CB -1.606 30.084 31.823 -0.221 0.000 0.645 192 V HN 0.645 nan 8.190 nan 0.000 0.447 193 G N -1.778 106.872 108.800 -0.251 0.000 2.446 193 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.217 193 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.217 193 G C 1.365 176.198 174.900 -0.112 0.000 1.168 193 G CA 0.823 45.807 45.100 -0.194 0.000 0.771 193 G HN 0.614 nan 8.290 nan 0.000 0.551 194 W N 1.651 122.784 121.300 -0.279 0.000 2.321 194 W HA -0.083 4.577 4.660 -0.000 0.000 0.306 194 W C 2.859 179.312 176.519 -0.110 0.000 1.217 194 W CA 2.457 59.716 57.345 -0.142 0.000 1.257 194 W CB -0.053 29.370 29.460 -0.061 0.000 1.145 194 W HN 0.270 nan 8.180 nan 0.000 0.509 195 A N -0.792 122.147 122.820 0.199 0.000 1.898 195 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 195 A C 2.061 179.621 177.584 -0.040 0.000 1.181 195 A CA 2.538 54.642 52.037 0.110 0.000 0.620 195 A CB -1.065 17.964 19.000 0.049 0.000 0.819 195 A HN 0.192 nan 8.150 nan 0.000 0.442 196 M N -0.591 118.957 119.600 -0.087 0.000 2.108 196 M HA -0.090 4.390 4.480 -0.000 0.000 0.261 196 M C 2.743 178.947 176.300 -0.161 0.000 1.066 196 M CA 1.216 56.439 55.300 -0.130 0.000 1.107 196 M CB -1.996 30.490 32.600 -0.191 0.000 1.356 196 M HN 0.746 nan 8.290 nan 0.000 0.406 197 A N -0.929 121.768 122.820 -0.206 0.000 1.865 197 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 197 A C 2.386 179.807 177.584 -0.272 0.000 1.191 197 A CA 2.332 54.215 52.037 -0.258 0.000 0.623 197 A CB -1.357 17.430 19.000 -0.356 0.000 0.826 197 A HN 0.584 nan 8.150 nan 0.000 0.444 198 S N -0.469 115.027 115.700 -0.340 0.000 2.387 198 S HA -0.135 4.335 4.470 -0.000 0.000 0.230 198 S C 2.094 176.610 174.600 -0.141 0.000 1.035 198 S CA 1.820 59.859 58.200 -0.269 0.000 1.014 198 S CB -0.476 62.595 63.200 -0.214 0.000 0.836 198 S HN 0.860 nan 8.310 nan 0.000 0.466 199 A N 0.786 123.540 122.820 -0.110 0.000 1.929 199 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 199 A C 2.098 179.636 177.584 -0.078 0.000 1.176 199 A CA 1.182 53.175 52.037 -0.073 0.000 0.628 199 A CB -0.600 18.367 19.000 -0.054 0.000 0.816 199 A HN 0.616 nan 8.150 nan 0.000 0.444 200 I N -0.656 119.854 120.570 -0.100 0.000 2.315 200 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 200 I C 1.748 177.816 176.117 -0.081 0.000 1.117 200 I CA 1.063 62.310 61.300 -0.089 0.000 1.404 200 I CB -0.014 37.922 38.000 -0.107 0.000 1.071 200 I HN 0.078 nan 8.210 nan 0.000 0.419 201 K N 0.866 121.207 120.400 -0.098 0.000 2.444 201 K HA 0.154 4.474 4.320 -0.000 0.000 0.193 201 K C 1.040 177.600 176.600 -0.067 0.000 1.024 201 K CA 0.627 56.863 56.287 -0.085 0.000 1.077 201 K CB -0.012 32.424 32.500 -0.107 0.000 0.833 201 K HN 0.391 nan 8.250 nan 0.000 0.517 202 G N 2.861 111.624 108.800 -0.062 0.000 2.273 202 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.280 202 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.280 202 G C 0.047 174.923 174.900 -0.041 0.000 1.047 202 G CA 0.609 45.682 45.100 -0.045 0.000 0.869 202 G HN 0.337 nan 8.290 nan 0.000 0.502 203 D N -0.760 119.608 120.400 -0.053 0.000 2.414 203 D HA 0.518 5.158 4.640 -0.000 0.000 0.259 203 D C 1.864 178.155 176.300 -0.016 0.000 1.269 203 D CA 0.761 54.737 54.000 -0.040 0.000 1.028 203 D CB 0.587 41.345 40.800 -0.070 0.000 1.093 203 D HN 0.386 nan 8.370 nan 0.000 0.545 204 T N -2.647 111.911 114.554 0.007 0.000 3.231 204 T HA 0.294 4.644 4.350 -0.000 0.000 0.292 204 T C 0.373 175.110 174.700 0.060 0.000 1.001 204 T CA -0.516 61.598 62.100 0.023 0.000 0.920 204 T CB 0.118 68.998 68.868 0.019 0.000 1.140 204 T HN 0.130 nan 8.240 nan 0.000 0.525 205 K N 2.073 122.528 120.400 0.092 0.000 2.174 205 K HA 0.657 4.977 4.320 -0.000 0.000 0.275 205 K C 0.011 176.767 176.600 0.261 0.000 1.015 205 K CA -0.718 55.691 56.287 0.203 0.000 0.933 205 K CB 1.309 34.001 32.500 0.319 0.000 1.025 205 K HN 0.506 nan 8.250 nan 0.000 0.463 206 I N -1.799 118.924 120.570 0.256 0.000 2.910 206 I HA 0.725 4.895 4.170 -0.000 0.000 0.310 206 I C -0.822 175.413 176.117 0.197 0.000 1.043 206 I CA -1.117 60.310 61.300 0.212 0.000 1.053 206 I CB 2.168 40.218 38.000 0.084 0.000 1.242 206 I HN 0.502 nan 8.210 nan 0.000 0.452 207 A N 2.231 125.128 122.820 0.129 0.000 2.330 207 A HA 0.687 5.007 4.320 -0.000 0.000 0.327 207 A C -0.461 177.089 177.584 -0.057 0.000 1.155 207 A CA -0.554 51.483 52.037 -0.001 0.000 0.803 207 A CB 1.325 20.353 19.000 0.046 0.000 1.208 207 A HN 0.728 nan 8.150 nan 0.000 0.477 208 S N 1.360 117.045 115.700 -0.025 0.000 2.498 208 S HA 0.625 5.095 4.470 -0.000 0.000 0.324 208 S C -0.057 174.475 174.600 -0.113 0.000 1.071 208 S CA -0.010 58.154 58.200 -0.061 0.000 1.113 208 S CB 0.279 63.558 63.200 0.131 0.000 0.976 208 S HN 1.506 nan 8.310 nan 0.000 0.462 209 A N 4.476 127.055 122.820 -0.402 0.000 2.303 209 A HA 0.794 5.114 4.320 -0.000 0.000 0.317 209 A C -1.243 176.081 177.584 -0.433 0.000 1.149 209 A CA -0.661 51.154 52.037 -0.370 0.000 0.822 209 A CB 0.451 18.956 19.000 -0.826 0.000 1.131 209 A HN 0.856 nan 8.150 nan 0.000 0.493 210 W N 0.666 122.178 121.300 0.355 0.000 2.998 210 W HA 0.727 5.387 4.660 -0.000 0.000 0.335 210 W C -0.578 176.109 176.519 0.279 0.000 1.110 210 W CA -0.290 57.250 57.345 0.325 0.000 1.230 210 W CB 1.872 31.401 29.460 0.116 0.000 1.405 210 W HN 0.642 nan 8.180 nan 0.000 0.493 211 I N 1.324 122.051 120.570 0.261 0.000 2.842 211 I HA 0.664 4.834 4.170 -0.000 0.000 0.297 211 I C 0.088 176.117 176.117 -0.147 0.000 1.380 211 I CA -0.648 60.581 61.300 -0.118 0.000 1.018 211 I CB 1.751 39.346 38.000 -0.674 0.000 1.311 211 I HN 0.535 nan 8.210 nan 0.000 0.439 212 G N 2.915 111.589 108.800 -0.209 0.000 2.522 212 G HA2 0.215 4.175 3.960 -0.000 0.000 0.304 212 G HA3 0.215 4.175 3.960 -0.000 0.000 0.304 212 G C 0.568 175.217 174.900 -0.420 0.000 1.210 212 G CA 0.182 45.147 45.100 -0.226 0.000 0.960 212 G HN 0.761 nan 8.290 nan 0.000 0.497 213 D N -0.027 120.088 120.400 -0.476 0.000 2.092 213 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 213 D C 2.264 178.242 176.300 -0.537 0.000 0.994 213 D CA 1.628 55.150 54.000 -0.797 0.000 0.828 213 D CB -1.068 39.383 40.800 -0.582 0.000 0.963 213 D HN 0.496 nan 8.370 nan 0.000 0.450 214 G N 0.953 109.578 108.800 -0.291 0.000 2.440 214 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 214 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 214 G C 1.838 176.620 174.900 -0.196 0.000 1.154 214 G CA 1.699 46.688 45.100 -0.185 0.000 0.767 214 G HN 0.556 nan 8.290 nan 0.000 0.552 215 A N 0.764 123.449 122.820 -0.225 0.000 2.121 215 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 215 A C 2.544 179.950 177.584 -0.298 0.000 1.154 215 A CA 2.231 54.149 52.037 -0.199 0.000 0.679 215 A CB -0.871 18.030 19.000 -0.165 0.000 0.795 215 A HN 0.525 nan 8.150 nan 0.000 0.458 216 T N -2.349 111.893 114.554 -0.519 0.000 2.929 216 T HA 0.022 4.372 4.350 -0.000 0.000 0.271 216 T C 1.757 176.231 174.700 -0.377 0.000 1.085 216 T CA 1.367 62.946 62.100 -0.868 0.000 1.125 216 T CB -0.427 67.734 68.868 -1.177 0.000 0.874 216 T HN 0.521 nan 8.240 nan 0.000 0.494 217 A N 0.903 123.616 122.820 -0.179 0.000 2.066 217 A HA 0.160 4.480 4.320 -0.000 0.000 0.218 217 A C 1.261 178.854 177.584 0.015 0.000 1.157 217 A CA 0.435 52.445 52.037 -0.044 0.000 0.670 217 A CB -0.470 18.505 19.000 -0.042 0.000 0.804 217 A HN 0.540 nan 8.150 nan 0.000 0.453 218 E N 0.326 120.530 120.200 0.006 0.000 2.415 218 E HA 0.180 4.530 4.350 -0.000 0.000 0.262 218 E C 1.394 178.073 176.600 0.131 0.000 1.038 218 E CA 0.645 57.078 56.400 0.054 0.000 0.921 218 E CB 0.746 30.468 29.700 0.037 0.000 0.950 218 E HN 0.385 nan 8.360 nan 0.000 0.438 219 S N 2.553 118.328 115.700 0.124 0.000 2.399 219 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 219 S C 1.095 175.813 174.600 0.198 0.000 1.022 219 S CA 1.114 59.412 58.200 0.163 0.000 0.983 219 S CB -0.055 63.220 63.200 0.124 0.000 0.803 219 S HN 0.559 nan 8.310 nan 0.000 0.480 220 D N 0.573 121.072 120.400 0.164 0.000 2.310 220 D HA 0.029 4.669 4.640 -0.000 0.000 0.212 220 D C 1.284 177.724 176.300 0.232 0.000 0.965 220 D CA 0.414 54.508 54.000 0.156 0.000 0.879 220 D CB -0.329 40.545 40.800 0.124 0.000 0.921 220 D HN 0.485 nan 8.370 nan 0.000 0.510 221 F N 1.103 121.119 119.950 0.110 0.000 2.113 221 F HA -0.183 4.344 4.527 -0.000 0.000 0.297 221 F C 2.286 178.223 175.800 0.228 0.000 1.103 221 F CA 1.557 59.627 58.000 0.117 0.000 1.248 221 F CB -0.341 38.638 39.000 -0.035 0.000 0.999 221 F HN 0.086 nan 8.300 nan 0.000 0.475 222 H N -0.899 118.206 119.070 0.058 0.000 2.357 222 H HA -0.112 4.444 4.556 -0.000 0.000 0.301 222 H C 1.892 177.231 175.328 0.018 0.000 1.082 222 H CA 1.714 57.748 56.048 -0.024 0.000 1.342 222 H CB -0.158 29.661 29.762 0.094 0.000 1.389 222 H HN 0.252 nan 8.280 nan 0.000 0.511 223 T N 1.077 115.617 114.554 -0.023 0.000 2.635 223 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 223 T C 2.216 176.944 174.700 0.047 0.000 1.040 223 T CA 1.695 63.799 62.100 0.007 0.000 1.156 223 T CB -0.720 68.175 68.868 0.044 0.000 0.863 223 T HN 0.543 nan 8.240 nan 0.000 0.430 224 A N 1.394 124.216 122.820 0.004 0.000 1.873 224 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 224 A C 2.364 179.912 177.584 -0.061 0.000 1.193 224 A CA 1.621 53.636 52.037 -0.036 0.000 0.629 224 A CB -1.038 17.979 19.000 0.028 0.000 0.826 224 A HN 0.502 nan 8.150 nan 0.000 0.447 225 L N -0.909 120.227 121.223 -0.145 0.000 2.012 225 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 225 L C 2.844 179.683 176.870 -0.052 0.000 1.073 225 L CA 1.993 56.750 54.840 -0.139 0.000 0.748 225 L CB -1.358 40.567 42.059 -0.223 0.000 0.891 225 L HN 0.399 nan 8.230 nan 0.000 0.431 226 T N -0.142 114.352 114.554 -0.101 0.000 2.674 226 T HA -0.177 4.173 4.350 -0.000 0.000 0.265 226 T C 1.674 176.353 174.700 -0.035 0.000 1.039 226 T CA 1.545 63.587 62.100 -0.096 0.000 1.150 226 T CB -0.386 68.330 68.868 -0.254 0.000 0.864 226 T HN 0.074 nan 8.240 nan 0.000 0.427 227 F N 1.599 121.520 119.950 -0.050 0.000 2.134 227 F HA 0.031 4.558 4.527 -0.000 0.000 0.299 227 F C 2.667 178.525 175.800 0.097 0.000 1.097 227 F CA 0.811 58.859 58.000 0.080 0.000 1.264 227 F CB -0.839 38.197 39.000 0.059 0.000 1.001 227 F HN 0.123 nan 8.300 nan 0.000 0.479 228 A N -0.903 122.021 122.820 0.174 0.000 1.940 228 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 228 A C 1.977 179.599 177.584 0.063 0.000 1.176 228 A CA 2.255 54.335 52.037 0.072 0.000 0.631 228 A CB -1.113 17.872 19.000 -0.025 0.000 0.814 228 A HN 0.534 nan 8.150 nan 0.000 0.446 229 H N -0.600 118.444 119.070 -0.044 0.000 2.343 229 H HA 0.002 4.558 4.556 -0.000 0.000 0.303 229 H C 1.810 177.057 175.328 -0.136 0.000 1.068 229 H CA 1.729 57.730 56.048 -0.079 0.000 1.359 229 H CB -0.324 29.386 29.762 -0.086 0.000 1.402 229 H HN 0.083 nan 8.280 nan 0.000 0.515 230 V N 0.033 119.690 119.914 -0.428 0.000 2.332 230 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 230 V C 1.438 177.120 176.094 -0.687 0.000 1.055 230 V CA 2.126 64.013 62.300 -0.688 0.000 1.038 230 V CB -0.656 30.651 31.823 -0.861 0.000 0.651 230 V HN 0.535 nan 8.190 nan 0.000 0.450 231 Y N -1.366 118.818 120.300 -0.193 0.000 2.458 231 Y HA 0.410 4.960 4.550 -0.000 0.000 0.256 231 Y C 1.324 177.158 175.900 -0.110 0.000 1.159 231 Y CA -0.234 57.789 58.100 -0.129 0.000 1.261 231 Y CB 0.025 38.445 38.460 -0.067 0.000 1.119 231 Y HN 0.112 nan 8.280 nan 0.000 0.524 232 R N 1.045 121.527 120.500 -0.029 0.000 3.264 232 R HA -0.199 4.141 4.340 -0.000 0.000 0.251 232 R C -0.672 175.633 176.300 0.008 0.000 0.971 232 R CA 0.269 56.354 56.100 -0.026 0.000 0.658 232 R CB -1.264 29.008 30.300 -0.047 0.000 1.095 232 R HN 0.336 nan 8.270 nan 0.000 0.443 233 A N 1.947 124.783 122.820 0.027 0.000 2.401 233 A HA 0.420 4.740 4.320 -0.000 0.000 0.259 233 A C -1.891 175.682 177.584 -0.018 0.000 1.103 233 A CA -1.154 50.889 52.037 0.010 0.000 0.789 233 A CB 0.338 19.346 19.000 0.013 0.000 1.035 233 A HN 0.286 nan 8.150 nan 0.000 0.491 234 P HA 0.192 nan 4.420 nan 0.000 0.244 234 P C -0.775 176.516 177.300 -0.015 0.000 1.723 234 P CA 0.353 63.445 63.100 -0.012 0.000 1.110 234 P CB -0.432 31.275 31.700 0.011 0.000 1.972 235 V N 2.901 122.778 119.914 -0.062 0.000 2.769 235 V HA 0.446 4.566 4.120 -0.000 0.000 0.312 235 V C 0.546 176.564 176.094 -0.126 0.000 1.061 235 V CA -1.018 61.212 62.300 -0.117 0.000 0.931 235 V CB 2.597 34.296 31.823 -0.206 0.000 1.010 235 V HN 0.126 nan 8.190 nan 0.000 0.433 236 I N 4.131 124.611 120.570 -0.150 0.000 2.307 236 I HA 0.348 4.518 4.170 -0.000 0.000 0.289 236 I C -0.614 175.340 176.117 -0.271 0.000 1.021 236 I CA -0.244 60.964 61.300 -0.153 0.000 1.224 236 I CB 1.085 39.023 38.000 -0.105 0.000 1.376 236 I HN 0.395 nan 8.210 nan 0.000 0.470 237 L N 7.413 128.499 121.223 -0.227 0.000 2.295 237 L HA 0.323 4.663 4.340 -0.000 0.000 0.288 237 L C -0.006 176.859 176.870 -0.008 0.000 1.079 237 L CA -0.154 54.544 54.840 -0.237 0.000 0.830 237 L CB -0.141 41.821 42.059 -0.162 0.000 1.200 237 L HN 0.556 nan 8.230 nan 0.000 0.438 238 N N 3.248 121.935 118.700 -0.021 0.000 2.425 238 N HA 0.329 5.069 4.740 -0.000 0.000 0.268 238 N C -0.889 174.755 175.510 0.224 0.000 0.991 238 N CA -0.361 52.678 53.050 -0.019 0.000 0.931 238 N CB 2.757 40.906 38.487 -0.564 0.000 1.130 238 N HN 0.167 nan 8.380 nan 0.000 0.493 239 V N 2.844 122.842 119.914 0.141 0.000 2.328 239 V HA 0.201 4.321 4.120 -0.000 0.000 0.278 239 V C 0.277 176.443 176.094 0.120 0.000 1.021 239 V CA -0.762 61.550 62.300 0.021 0.000 0.838 239 V CB 1.593 33.354 31.823 -0.103 0.000 0.999 239 V HN 0.316 nan 8.190 nan 0.000 0.447 240 V N 4.892 124.892 119.914 0.144 0.000 2.339 240 V HA 0.225 4.345 4.120 -0.000 0.000 0.261 240 V C 0.529 176.623 176.094 -0.001 0.000 1.058 240 V CA -0.422 61.997 62.300 0.199 0.000 0.897 240 V CB 0.827 32.779 31.823 0.216 0.000 1.052 240 V HN 0.850 nan 8.190 nan 0.000 0.480 241 N N 4.728 123.440 118.700 0.021 0.000 2.555 241 N HA 0.084 4.824 4.740 -0.000 0.000 0.244 241 N C 0.818 176.366 175.510 0.063 0.000 1.114 241 N CA -0.389 52.638 53.050 -0.039 0.000 0.963 241 N CB 0.393 38.913 38.487 0.053 0.000 1.276 241 N HN 0.679 nan 8.380 nan 0.000 0.510 242 N N 2.540 121.247 118.700 0.012 0.000 2.314 242 N HA -0.010 4.730 4.740 -0.000 0.000 0.200 242 N C -0.190 175.339 175.510 0.031 0.000 1.135 242 N CA -0.017 53.040 53.050 0.012 0.000 0.835 242 N CB 0.218 38.691 38.487 -0.023 0.000 0.989 242 N HN 0.303 nan 8.380 nan 0.000 0.478 243 Q N -2.746 117.082 119.800 0.047 0.000 2.258 243 Q HA -0.211 4.129 4.340 -0.000 0.000 0.167 243 Q C -1.095 174.663 176.000 -0.403 0.000 0.586 243 Q CA 1.638 57.408 55.803 -0.055 0.000 1.398 243 Q CB -2.189 26.710 28.738 0.268 0.000 1.415 243 Q HN 0.712 nan 8.270 nan 0.000 0.903 244 W N -0.375 120.913 121.300 -0.019 0.000 3.032 244 W HA 0.730 5.390 4.660 -0.000 0.000 0.335 244 W C -0.594 175.882 176.519 -0.071 0.000 1.154 244 W CA -0.357 56.978 57.345 -0.018 0.000 1.204 244 W CB 1.619 31.080 29.460 0.002 0.000 1.416 244 W HN 0.086 nan 8.180 nan 0.000 0.521 245 A N 4.123 127.034 122.820 0.152 0.000 2.646 245 A HA 0.706 5.026 4.320 -0.000 0.000 0.312 245 A C 0.357 177.871 177.584 -0.118 0.000 1.245 245 A CA -0.332 51.705 52.037 0.000 0.000 0.755 245 A CB -0.416 18.551 19.000 -0.055 0.000 1.132 245 A HN 0.846 nan 8.150 nan 0.000 0.458 246 I N 0.269 120.664 120.570 -0.293 0.000 4.901 246 I HA -0.475 3.695 4.170 -0.000 0.000 0.038 246 I C 2.172 178.033 176.117 -0.426 0.000 0.635 246 I CA 2.219 63.217 61.300 -0.502 0.000 0.242 246 I CB -1.191 36.462 38.000 -0.578 0.000 0.338 246 I HN 0.783 nan 8.210 nan 0.000 0.150 247 S N -0.607 114.744 115.700 -0.581 0.000 2.511 247 S HA 0.173 4.643 4.470 -0.000 0.000 0.214 247 S C 0.539 175.018 174.600 -0.201 0.000 0.997 247 S CA 0.351 57.887 58.200 -1.107 0.000 0.908 247 S CB 0.177 62.833 63.200 -0.908 0.000 0.803 247 S HN 0.535 nan 8.310 nan 0.000 0.504 248 T N 3.787 118.344 114.554 0.004 0.000 2.780 248 T HA 0.425 4.775 4.350 -0.000 0.000 0.294 248 T C -0.642 174.127 174.700 0.115 0.000 0.949 248 T CA -0.395 61.754 62.100 0.082 0.000 1.074 248 T CB 0.302 69.153 68.868 -0.029 0.000 0.910 248 T HN 0.319 nan 8.240 nan 0.000 0.501 249 F N 3.647 123.435 119.950 -0.271 0.000 2.459 249 F HA 0.202 4.729 4.527 -0.000 0.000 0.346 249 F C 1.713 177.262 175.800 -0.418 0.000 1.128 249 F CA -1.420 56.115 58.000 -0.775 0.000 1.268 249 F CB 1.012 39.553 39.000 -0.765 0.000 1.161 249 F HN 0.614 nan 8.300 nan 0.000 0.583 250 Q N 4.203 123.318 119.800 -1.142 0.000 2.368 250 Q HA -0.116 4.224 4.340 -0.000 0.000 0.210 250 Q C 1.582 177.218 176.000 -0.606 0.000 0.982 250 Q CA 1.771 57.161 55.803 -0.688 0.000 0.884 250 Q CB -1.002 27.462 28.738 -0.458 0.000 0.933 250 Q HN 0.653 nan 8.270 nan 0.000 0.460 251 A N 0.998 123.252 122.820 -0.942 0.000 1.972 251 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 251 A C 2.060 179.523 177.584 -0.202 0.000 1.169 251 A CA 1.267 53.046 52.037 -0.430 0.000 0.635 251 A CB -0.544 18.331 19.000 -0.210 0.000 0.810 251 A HN 0.482 nan 8.150 nan 0.000 0.446 252 I N -0.616 119.850 120.570 -0.173 0.000 3.111 252 I HA -0.093 4.077 4.170 -0.000 0.000 0.272 252 I C 2.418 178.484 176.117 -0.085 0.000 1.268 252 I CA 0.690 61.931 61.300 -0.099 0.000 1.467 252 I CB -0.094 37.863 38.000 -0.071 0.000 1.087 252 I HN 0.327 nan 8.210 nan 0.000 0.467 253 A N 0.573 123.336 122.820 -0.095 0.000 2.208 253 A HA 0.338 4.658 4.320 -0.000 0.000 0.209 253 A C 1.714 179.293 177.584 -0.009 0.000 1.161 253 A CA 0.845 52.862 52.037 -0.034 0.000 0.782 253 A CB -0.320 18.679 19.000 -0.002 0.000 0.816 253 A HN 0.521 nan 8.150 nan 0.000 0.477 254 G N -2.450 106.303 108.800 -0.079 0.000 2.141 254 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.164 254 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.164 254 G C 0.852 175.583 174.900 -0.281 0.000 1.009 254 G CA 0.178 45.203 45.100 -0.125 0.000 0.677 254 G HN 1.171 nan 8.290 nan 0.000 0.508 255 G N -0.425 108.182 108.800 -0.322 0.000 3.088 255 G HA2 0.357 4.317 3.960 -0.000 0.000 0.217 255 G HA3 0.357 4.317 3.960 -0.000 0.000 0.217 255 G C 0.411 175.152 174.900 -0.264 0.000 1.159 255 G CA 0.581 45.395 45.100 -0.476 0.000 0.760 255 G HN 0.557 nan 8.290 nan 0.000 0.550 256 E N 1.069 121.171 120.200 -0.163 0.000 2.328 256 E HA 0.271 4.621 4.350 -0.000 0.000 0.265 256 E C 0.516 177.098 176.600 -0.029 0.000 1.057 256 E CA 0.093 56.460 56.400 -0.055 0.000 0.916 256 E CB 0.109 29.813 29.700 0.007 0.000 0.993 256 E HN 0.165 nan 8.360 nan 0.000 0.446 257 S N 1.397 117.107 115.700 0.016 0.000 3.261 257 S HA -0.217 4.253 4.470 -0.000 0.000 0.287 257 S C 0.094 174.734 174.600 0.067 0.000 1.281 257 S CA 1.288 59.517 58.200 0.048 0.000 1.053 257 S CB -1.897 61.324 63.200 0.035 0.000 1.251 257 S HN 0.818 nan 8.310 nan 0.000 0.659 258 T N -1.149 113.382 114.554 -0.039 0.000 2.887 258 T HA 0.752 5.102 4.350 -0.000 0.000 0.292 258 T C -0.354 174.121 174.700 -0.374 0.000 1.087 258 T CA -0.126 61.910 62.100 -0.107 0.000 1.009 258 T CB 2.255 71.031 68.868 -0.153 0.000 1.203 258 T HN 0.447 nan 8.240 nan 0.000 0.518 259 T N -1.237 112.960 114.554 -0.595 0.000 2.942 259 T HA 0.609 4.959 4.350 -0.000 0.000 0.289 259 T C 0.152 174.544 174.700 -0.514 0.000 1.044 259 T CA -0.917 60.827 62.100 -0.593 0.000 1.023 259 T CB 1.089 69.538 68.868 -0.697 0.000 1.123 259 T HN 0.438 nan 8.240 nan 0.000 0.512 260 F N 0.495 120.343 119.950 -0.169 0.000 2.416 260 F HA 0.240 4.767 4.527 -0.000 0.000 0.296 260 F C 2.859 178.635 175.800 -0.040 0.000 1.099 260 F CA 0.506 58.448 58.000 -0.097 0.000 1.427 260 F CB -0.670 38.252 39.000 -0.130 0.000 1.079 260 F HN 0.773 nan 8.300 nan 0.000 0.536 261 A N 0.704 123.553 122.820 0.048 0.000 1.908 261 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 261 A C 2.571 180.163 177.584 0.014 0.000 1.181 261 A CA 1.880 53.915 52.037 -0.004 0.000 0.627 261 A CB -1.617 17.324 19.000 -0.098 0.000 0.818 261 A HN 0.402 nan 8.150 nan 0.000 0.445 262 G N -0.612 108.158 108.800 -0.050 0.000 2.475 262 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 262 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 262 G C 1.683 176.646 174.900 0.104 0.000 1.125 262 G CA 0.912 46.059 45.100 0.079 0.000 0.755 262 G HN 0.611 nan 8.290 nan 0.000 0.565 263 R N 0.116 120.683 120.500 0.111 0.000 2.189 263 R HA 0.002 4.342 4.340 -0.000 0.000 0.223 263 R C 2.802 179.171 176.300 0.116 0.000 1.092 263 R CA 0.687 56.879 56.100 0.154 0.000 0.989 263 R CB -0.276 30.200 30.300 0.294 0.000 0.876 263 R HN 0.368 nan 8.270 nan 0.000 0.457 264 G N 0.594 109.455 108.800 0.102 0.000 2.394 264 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.214 264 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.214 264 G C 1.450 176.354 174.900 0.006 0.000 1.176 264 G CA 0.465 45.593 45.100 0.047 0.000 0.786 264 G HN 0.094 nan 8.290 nan 0.000 0.533 265 V N 1.807 121.737 119.914 0.026 0.000 2.332 265 V HA -0.104 4.016 4.120 -0.000 0.000 0.248 265 V C 3.145 179.225 176.094 -0.023 0.000 1.055 265 V CA 1.953 64.258 62.300 0.009 0.000 1.038 265 V CB -1.233 30.617 31.823 0.044 0.000 0.651 265 V HN 0.421 nan 8.190 nan 0.000 0.450 266 G N -1.194 107.609 108.800 0.004 0.000 2.442 266 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 266 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 266 G C 1.306 176.173 174.900 -0.055 0.000 1.141 266 G CA 1.346 46.441 45.100 -0.008 0.000 0.763 266 G HN 0.592 nan 8.290 nan 0.000 0.554 267 C N 0.927 120.179 119.300 -0.080 0.000 2.559 267 C HA 0.546 5.006 4.460 -0.000 0.000 0.300 267 C C 1.854 176.567 174.990 -0.463 0.000 1.288 267 C CA -0.461 58.450 59.018 -0.179 0.000 1.699 267 C CB -1.101 26.584 27.740 -0.091 0.000 1.819 267 C HN 0.803 nan 8.230 nan 0.000 0.600 268 G N 1.778 110.363 108.800 -0.358 0.000 2.273 268 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.280 268 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.280 268 G C -0.258 174.490 174.900 -0.253 0.000 1.047 268 G CA 0.011 44.863 45.100 -0.414 0.000 0.869 268 G HN 0.627 nan 8.290 nan 0.000 0.502 269 I N 0.473 120.976 120.570 -0.111 0.000 2.433 269 I HA 0.592 4.762 4.170 -0.000 0.000 0.292 269 I C 0.916 177.054 176.117 0.036 0.000 1.001 269 I CA -0.907 60.393 61.300 -0.001 0.000 1.119 269 I CB 1.916 39.917 38.000 0.003 0.000 1.289 269 I HN 0.300 nan 8.210 nan 0.000 0.438 270 A N 4.857 127.727 122.820 0.083 0.000 2.566 270 A HA 0.355 4.675 4.320 -0.000 0.000 0.245 270 A C 0.042 177.704 177.584 0.131 0.000 1.056 270 A CA 0.469 52.592 52.037 0.143 0.000 0.757 270 A CB -0.167 18.989 19.000 0.260 0.000 0.979 270 A HN 0.680 nan 8.150 nan 0.000 0.508 271 S N 1.572 117.319 115.700 0.078 0.000 2.526 271 S HA 0.720 5.190 4.470 -0.000 0.000 0.293 271 S C -1.006 173.558 174.600 -0.059 0.000 1.092 271 S CA -0.541 57.669 58.200 0.016 0.000 0.980 271 S CB 1.293 64.501 63.200 0.014 0.000 1.048 271 S HN 0.535 nan 8.310 nan 0.000 0.483 272 L N 2.004 123.138 121.223 -0.149 0.000 2.370 272 L HA 0.611 4.951 4.340 -0.000 0.000 0.266 272 L C -0.187 176.497 176.870 -0.310 0.000 1.002 272 L CA -0.496 54.187 54.840 -0.263 0.000 0.818 272 L CB 1.779 43.603 42.059 -0.391 0.000 1.325 272 L HN 0.658 nan 8.230 nan 0.000 0.418 273 R N 1.524 121.849 120.500 -0.293 0.000 2.409 273 R HA 0.799 5.139 4.340 -0.000 0.000 0.313 273 R C -1.711 174.414 176.300 -0.293 0.000 0.953 273 R CA -0.366 55.573 56.100 -0.267 0.000 0.849 273 R CB 1.291 31.485 30.300 -0.178 0.000 1.171 273 R HN 0.456 nan 8.270 nan 0.000 0.458 274 V N 2.682 122.407 119.914 -0.315 0.000 2.769 274 V HA 0.181 4.301 4.120 -0.000 0.000 0.312 274 V C -0.280 175.834 176.094 0.033 0.000 1.061 274 V CA -1.030 61.135 62.300 -0.224 0.000 0.931 274 V CB 1.895 33.511 31.823 -0.344 0.000 1.010 274 V HN 0.707 nan 8.190 nan 0.000 0.433 275 D N 2.737 123.158 120.400 0.035 0.000 2.426 275 D HA 0.056 4.696 4.640 -0.000 0.000 0.261 275 D C 1.285 177.725 176.300 0.233 0.000 1.245 275 D CA 0.841 54.907 54.000 0.111 0.000 0.917 275 D CB 1.510 42.336 40.800 0.042 0.000 1.123 275 D HN 0.748 nan 8.370 nan 0.000 0.508 276 G N 3.826 112.805 108.800 0.298 0.000 2.598 276 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 276 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 276 G C 1.083 176.090 174.900 0.179 0.000 1.131 276 G CA -0.068 45.208 45.100 0.293 0.000 0.785 276 G HN 0.447 nan 8.290 nan 0.000 0.539 277 N N 0.571 119.394 118.700 0.206 0.000 2.235 277 N HA 0.088 4.828 4.740 -0.000 0.000 0.209 277 N C -0.566 175.037 175.510 0.155 0.000 1.122 277 N CA -0.076 53.092 53.050 0.197 0.000 0.845 277 N CB 0.745 39.390 38.487 0.263 0.000 1.004 277 N HN 0.152 nan 8.380 nan 0.000 0.499 278 D N 0.063 120.539 120.400 0.126 0.000 2.473 278 D HA 0.066 4.706 4.640 -0.000 0.000 0.226 278 D C 0.569 176.937 176.300 0.114 0.000 1.089 278 D CA -0.635 53.426 54.000 0.102 0.000 0.883 278 D CB 0.178 41.011 40.800 0.056 0.000 1.029 278 D HN -0.044 nan 8.370 nan 0.000 0.517 279 F N 3.417 123.380 119.950 0.021 0.000 2.126 279 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 279 F C 1.849 177.691 175.800 0.069 0.000 1.096 279 F CA 1.387 59.401 58.000 0.023 0.000 1.255 279 F CB 0.179 39.176 39.000 -0.005 0.000 0.997 279 F HN 0.254 nan 8.300 nan 0.000 0.479 280 V N 0.389 120.439 119.914 0.226 0.000 2.287 280 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 280 V C 2.707 178.887 176.094 0.143 0.000 1.053 280 V CA 1.905 64.316 62.300 0.184 0.000 1.027 280 V CB -1.665 30.213 31.823 0.092 0.000 0.646 280 V HN 0.477 nan 8.190 nan 0.000 0.447 281 A N -0.261 122.604 122.820 0.076 0.000 1.933 281 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 281 A C 2.382 180.012 177.584 0.076 0.000 1.175 281 A CA 1.984 54.040 52.037 0.031 0.000 0.628 281 A CB -0.646 18.329 19.000 -0.040 0.000 0.814 281 A HN 0.351 nan 8.150 nan 0.000 0.444 282 V N -1.354 118.580 119.914 0.034 0.000 2.295 282 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 282 V C 2.350 178.416 176.094 -0.045 0.000 1.049 282 V CA 2.130 64.401 62.300 -0.049 0.000 1.024 282 V CB -1.089 30.456 31.823 -0.464 0.000 0.648 282 V HN 0.720 nan 8.190 nan 0.000 0.447 283 Y N 1.503 121.633 120.300 -0.284 0.000 2.114 283 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 283 Y C 2.419 178.375 175.900 0.094 0.000 1.143 283 Y CA 1.693 59.707 58.100 -0.143 0.000 1.135 283 Y CB -0.661 37.715 38.460 -0.139 0.000 0.980 283 Y HN 0.128 nan 8.280 nan 0.000 0.499 284 A N 0.623 123.545 122.820 0.169 0.000 1.902 284 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 284 A C 2.425 180.223 177.584 0.357 0.000 1.181 284 A CA 2.093 54.286 52.037 0.259 0.000 0.623 284 A CB -1.568 17.721 19.000 0.481 0.000 0.818 284 A HN 0.642 nan 8.150 nan 0.000 0.443 285 A N -0.642 122.311 122.820 0.221 0.000 1.877 285 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 285 A C 2.453 180.223 177.584 0.310 0.000 1.186 285 A CA 2.064 54.193 52.037 0.154 0.000 0.620 285 A CB -0.885 18.025 19.000 -0.151 0.000 0.822 285 A HN 0.454 nan 8.150 nan 0.000 0.443 286 S N -0.832 115.035 115.700 0.280 0.000 2.368 286 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 286 S C 2.075 176.738 174.600 0.104 0.000 1.030 286 S CA 1.379 59.714 58.200 0.225 0.000 0.999 286 S CB -0.351 62.950 63.200 0.169 0.000 0.844 286 S HN 0.666 nan 8.310 nan 0.000 0.459 287 R N -0.323 120.147 120.500 -0.049 0.000 2.091 287 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 287 R C 2.157 178.508 176.300 0.086 0.000 1.136 287 R CA 1.802 57.841 56.100 -0.100 0.000 0.959 287 R CB -0.428 29.682 30.300 -0.317 0.000 0.856 287 R HN 0.563 nan 8.270 nan 0.000 0.437 288 W N 0.746 122.065 121.300 0.031 0.000 2.355 288 W HA -0.150 4.510 4.660 -0.000 0.000 0.309 288 W C 2.092 178.639 176.519 0.048 0.000 1.206 288 W CA 2.165 59.551 57.345 0.069 0.000 1.284 288 W CB -0.382 29.201 29.460 0.207 0.000 1.145 288 W HN 0.233 nan 8.180 nan 0.000 0.502 289 A N 0.659 123.690 122.820 0.351 0.000 1.902 289 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 289 A C 2.071 179.614 177.584 -0.068 0.000 1.181 289 A CA 2.500 54.606 52.037 0.116 0.000 0.623 289 A CB -1.541 17.599 19.000 0.233 0.000 0.818 289 A HN 0.431 nan 8.150 nan 0.000 0.443 290 A N -0.340 122.472 122.820 -0.013 0.000 1.902 290 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 290 A C 1.988 179.520 177.584 -0.087 0.000 1.181 290 A CA 2.145 54.163 52.037 -0.032 0.000 0.623 290 A CB -0.464 18.538 19.000 0.003 0.000 0.818 290 A HN 0.540 nan 8.150 nan 0.000 0.443 291 E N 0.108 120.231 120.200 -0.129 0.000 2.072 291 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 291 E C 2.136 178.590 176.600 -0.243 0.000 0.985 291 E CA 1.529 57.832 56.400 -0.162 0.000 0.801 291 E CB -0.291 29.313 29.700 -0.161 0.000 0.750 291 E HN 0.555 nan 8.360 nan 0.000 0.452 292 R N -0.169 120.081 120.500 -0.416 0.000 2.094 292 R HA -0.184 4.156 4.340 -0.000 0.000 0.239 292 R C 2.196 178.353 176.300 -0.238 0.000 1.137 292 R CA 1.816 57.654 56.100 -0.437 0.000 0.943 292 R CB -0.518 29.361 30.300 -0.701 0.000 0.850 292 R HN 0.249 nan 8.270 nan 0.000 0.433 293 A N 0.676 123.386 122.820 -0.184 0.000 1.877 293 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 293 A C 2.234 179.776 177.584 -0.070 0.000 1.186 293 A CA 1.497 53.472 52.037 -0.102 0.000 0.620 293 A CB -0.562 18.397 19.000 -0.069 0.000 0.822 293 A HN 0.391 nan 8.150 nan 0.000 0.443 294 R N -1.119 119.343 120.500 -0.064 0.000 2.189 294 R HA -0.026 4.314 4.340 -0.000 0.000 0.223 294 R C 1.471 177.744 176.300 -0.045 0.000 1.092 294 R CA 0.664 56.743 56.100 -0.035 0.000 0.989 294 R CB -0.025 30.261 30.300 -0.022 0.000 0.876 294 R HN 0.204 nan 8.270 nan 0.000 0.457 295 R N -0.563 119.894 120.500 -0.071 0.000 2.310 295 R HA 0.084 4.425 4.340 -0.000 0.000 0.202 295 R C 0.755 177.018 176.300 -0.061 0.000 0.933 295 R CA 0.701 56.760 56.100 -0.067 0.000 1.054 295 R CB 0.188 30.435 30.300 -0.088 0.000 0.985 295 R HN 0.448 nan 8.270 nan 0.000 0.489 296 G N 1.200 109.965 108.800 -0.058 0.000 2.179 296 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 296 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 296 G C 0.638 175.504 174.900 -0.057 0.000 1.010 296 G CA 0.334 45.405 45.100 -0.049 0.000 0.736 296 G HN 0.383 nan 8.290 nan 0.000 0.513 297 L N -0.077 121.098 121.223 -0.080 0.000 2.591 297 L HA 0.475 4.815 4.340 -0.000 0.000 0.228 297 L C 1.622 178.448 176.870 -0.073 0.000 1.133 297 L CA 0.689 55.479 54.840 -0.082 0.000 0.880 297 L CB -0.245 41.742 42.059 -0.119 0.000 1.033 297 L HN 1.077 nan 8.230 nan 0.000 0.450 298 G N -0.015 108.744 108.800 -0.069 0.000 2.462 298 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.685 298 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.685 298 G C -3.025 171.843 174.900 -0.053 0.000 1.295 298 G CA -1.022 44.051 45.100 -0.045 0.000 0.941 298 G HN -0.145 nan 8.290 nan 0.000 0.554 299 P HA 0.511 nan 4.420 nan 0.000 0.274 299 P C -0.388 176.904 177.300 -0.013 0.000 1.256 299 P CA -0.059 63.020 63.100 -0.034 0.000 0.795 299 P CB 1.215 32.899 31.700 -0.027 0.000 1.038 300 S N -0.159 115.535 115.700 -0.011 0.000 2.549 300 S HA 0.530 5.000 4.470 -0.000 0.000 0.280 300 S C -0.832 173.778 174.600 0.016 0.000 1.109 300 S CA -0.528 57.705 58.200 0.056 0.000 0.905 300 S CB 1.270 64.551 63.200 0.135 0.000 1.081 300 S HN 0.410 nan 8.310 nan 0.000 0.477 301 L N 2.879 124.121 121.223 0.032 0.000 2.329 301 L HA 0.725 5.065 4.340 -0.000 0.000 0.279 301 L C -1.563 175.262 176.870 -0.076 0.000 1.014 301 L CA -0.386 54.457 54.840 0.005 0.000 0.814 301 L CB 0.847 42.936 42.059 0.051 0.000 1.257 301 L HN 0.701 nan 8.230 nan 0.000 0.424 302 I N 4.122 124.584 120.570 -0.180 0.000 2.478 302 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 302 I C -0.632 175.184 176.117 -0.501 0.000 1.042 302 I CA -0.543 60.476 61.300 -0.469 0.000 1.067 302 I CB 1.990 39.504 38.000 -0.810 0.000 1.233 302 I HN 0.613 nan 8.210 nan 0.000 0.431 303 E N 6.384 126.339 120.200 -0.409 0.000 2.089 303 E HA 0.213 4.563 4.350 -0.000 0.000 0.284 303 E C -1.560 174.857 176.600 -0.305 0.000 1.023 303 E CA -0.640 55.617 56.400 -0.238 0.000 0.819 303 E CB 0.722 30.389 29.700 -0.055 0.000 1.076 303 E HN 0.417 nan 8.360 nan 0.000 0.396 304 W N 4.434 125.752 121.300 0.030 0.000 2.342 304 W HA 0.282 4.942 4.660 -0.000 0.000 0.310 304 W C -0.470 176.091 176.519 0.070 0.000 1.128 304 W CA -0.883 56.490 57.345 0.047 0.000 1.322 304 W CB 0.971 30.484 29.460 0.089 0.000 1.251 304 W HN 0.212 nan 8.180 nan 0.000 0.439 305 V N 4.597 124.678 119.914 0.277 0.000 2.389 305 V HA 0.382 4.502 4.120 -0.000 0.000 0.264 305 V C 0.400 176.710 176.094 0.359 0.000 1.049 305 V CA 0.177 62.638 62.300 0.269 0.000 0.932 305 V CB 0.488 32.425 31.823 0.189 0.000 1.011 305 V HN 0.663 nan 8.190 nan 0.000 0.475 306 T N 4.062 118.829 114.554 0.356 0.000 2.618 306 T HA 0.599 4.949 4.350 -0.000 0.000 0.293 306 T C -2.039 172.680 174.700 0.032 0.000 1.093 306 T CA -0.444 61.843 62.100 0.311 0.000 1.061 306 T CB 1.544 70.535 68.868 0.205 0.000 1.498 306 T HN 0.464 nan 8.240 nan 0.000 0.494 307 Y N 0.970 121.039 120.300 -0.385 0.000 2.421 307 Y HA 0.598 5.148 4.550 -0.000 0.000 0.339 307 Y C -0.170 175.579 175.900 -0.251 0.000 0.996 307 Y CA -0.925 56.855 58.100 -0.534 0.000 1.046 307 Y CB 1.487 39.155 38.460 -1.321 0.000 1.226 307 Y HN 0.610 nan 8.280 nan 0.000 0.445 308 R N 4.601 124.717 120.500 -0.640 0.000 2.609 308 R HA 0.312 4.652 4.340 -0.000 0.000 0.271 308 R C 0.601 176.617 176.300 -0.474 0.000 1.403 308 R CA 0.739 56.589 56.100 -0.417 0.000 1.138 308 R CB 0.167 30.336 30.300 -0.218 0.000 1.142 308 R HN 0.977 nan 8.270 nan 0.000 0.559 309 A N 3.440 126.003 122.820 -0.428 0.000 1.933 309 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 309 A C 1.101 178.484 177.584 -0.335 0.000 1.175 309 A CA 1.432 53.115 52.037 -0.591 0.000 0.628 309 A CB -0.074 17.895 19.000 -1.719 0.000 0.814 309 A HN 0.695 nan 8.150 nan 0.000 0.444 310 G N -1.491 107.141 108.800 -0.280 0.000 2.613 310 G HA2 0.520 4.480 3.960 -0.000 0.000 0.303 310 G HA3 0.520 4.480 3.960 -0.000 0.000 0.303 310 G C -2.962 171.867 174.900 -0.117 0.000 1.312 310 G CA -1.626 43.375 45.100 -0.165 0.000 1.036 310 G HN 0.105 nan 8.290 nan 0.000 0.513 311 P HA 0.089 nan 4.420 nan 0.000 0.269 311 P C 0.306 177.599 177.300 -0.012 0.000 1.215 311 P CA 0.037 63.113 63.100 -0.041 0.000 0.780 311 P CB 0.688 32.365 31.700 -0.038 0.000 0.898 312 H N 1.099 120.160 119.070 -0.014 0.000 2.352 312 H HA -0.082 4.474 4.556 -0.000 0.000 0.299 312 H C 0.470 175.770 175.328 -0.047 0.000 1.097 312 H CA 2.098 58.144 56.048 -0.003 0.000 1.311 312 H CB 0.125 29.912 29.762 0.042 0.000 1.377 312 H HN 0.430 nan 8.280 nan 0.000 0.504 313 S N -2.970 112.592 115.700 -0.230 0.000 2.752 313 S HA 0.184 4.654 4.470 -0.000 0.000 0.284 313 S C 0.901 175.409 174.600 -0.154 0.000 1.189 313 S CA -0.239 57.767 58.200 -0.323 0.000 0.835 313 S CB 0.873 63.940 63.200 -0.221 0.000 1.192 313 S HN 0.313 nan 8.310 nan 0.000 0.506 314 T N -0.928 113.507 114.554 -0.199 0.000 3.160 314 T HA 0.140 4.490 4.350 -0.000 0.000 0.257 314 T C 0.988 175.706 174.700 0.030 0.000 1.147 314 T CA 0.857 62.913 62.100 -0.073 0.000 1.064 314 T CB -0.583 68.234 68.868 -0.086 0.000 0.949 314 T HN 0.447 nan 8.240 nan 0.000 0.526 315 S N 0.868 116.624 115.700 0.094 0.000 2.540 315 S HA 0.238 4.708 4.470 -0.000 0.000 0.218 315 S C -0.003 174.657 174.600 0.100 0.000 0.977 315 S CA -0.525 57.745 58.200 0.115 0.000 0.918 315 S CB 0.059 63.356 63.200 0.162 0.000 0.806 315 S HN 0.617 nan 8.310 nan 0.000 0.496 316 D N 1.545 122.000 120.400 0.092 0.000 2.198 316 D HA 0.391 5.031 4.640 -0.000 0.000 0.247 316 D C -1.363 174.973 176.300 0.061 0.000 1.010 316 D CA -0.394 53.678 54.000 0.120 0.000 0.880 316 D CB 1.148 42.063 40.800 0.192 0.000 1.209 316 D HN -0.165 nan 8.370 nan 0.000 0.451 317 D N 2.855 123.289 120.400 0.057 0.000 2.440 317 D HA 0.287 4.927 4.640 -0.000 0.000 0.252 317 D C -2.084 174.098 176.300 -0.197 0.000 1.180 317 D CA -2.090 51.885 54.000 -0.042 0.000 0.894 317 D CB 2.085 42.868 40.800 -0.028 0.000 1.111 317 D HN 0.105 nan 8.370 nan 0.000 0.544 318 P HA -0.066 nan 4.420 nan 0.000 0.225 318 P C 1.308 178.080 177.300 -0.881 0.000 1.156 318 P CA 0.617 63.165 63.100 -0.919 0.000 0.787 318 P CB 0.191 31.577 31.700 -0.524 0.000 0.802 319 S N -0.414 115.032 115.700 -0.424 0.000 2.547 319 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 319 S C 1.587 176.046 174.600 -0.235 0.000 0.980 319 S CA 0.795 58.833 58.200 -0.270 0.000 0.941 319 S CB -0.871 62.244 63.200 -0.142 0.000 0.763 319 S HN 0.168 nan 8.310 nan 0.000 0.532 320 K N -0.063 120.174 120.400 -0.271 0.000 2.426 320 K HA 0.098 4.418 4.320 -0.000 0.000 0.193 320 K C 0.748 177.338 176.600 -0.017 0.000 1.028 320 K CA 0.778 57.006 56.287 -0.097 0.000 1.047 320 K CB 0.064 32.568 32.500 0.007 0.000 0.821 320 K HN 0.875 nan 8.250 nan 0.000 0.513 321 Y N -0.737 119.521 120.300 -0.071 0.000 2.515 321 Y HA 0.290 4.840 4.550 -0.000 0.000 0.267 321 Y C -0.062 175.785 175.900 -0.088 0.000 1.058 321 Y CA -1.124 56.942 58.100 -0.057 0.000 1.231 321 Y CB 0.230 38.666 38.460 -0.039 0.000 1.350 321 Y HN -0.198 nan 8.280 nan 0.000 0.554 322 R N -0.115 120.201 120.500 -0.306 0.000 2.774 322 R HA 0.665 5.005 4.340 -0.000 0.000 0.272 322 R C -3.432 172.788 176.300 -0.134 0.000 1.000 322 R CA -2.098 53.897 56.100 -0.175 0.000 0.906 322 R CB 1.520 31.585 30.300 -0.393 0.000 1.227 322 R HN -0.276 nan 8.270 nan 0.000 0.468 323 P HA -0.018 nan 4.420 nan 0.000 0.266 323 P C 0.034 177.339 177.300 0.008 0.000 1.195 323 P CA 0.401 63.498 63.100 -0.005 0.000 0.768 323 P CB 0.904 32.616 31.700 0.019 0.000 0.838 324 A N 3.577 126.401 122.820 0.007 0.000 1.969 324 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 324 A C 1.326 178.969 177.584 0.100 0.000 1.169 324 A CA 1.560 53.611 52.037 0.024 0.000 0.635 324 A CB -0.819 18.189 19.000 0.013 0.000 0.810 324 A HN 0.645 nan 8.150 nan 0.000 0.445 325 D N -1.068 119.415 120.400 0.138 0.000 2.325 325 D HA -0.010 4.630 4.640 -0.000 0.000 0.225 325 D C 0.415 176.908 176.300 0.321 0.000 1.096 325 D CA 0.358 54.486 54.000 0.214 0.000 0.844 325 D CB -0.114 40.826 40.800 0.233 0.000 0.925 325 D HN 0.241 nan 8.370 nan 0.000 0.513 326 D N 0.409 120.985 120.400 0.294 0.000 2.149 326 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 326 D C 1.349 177.834 176.300 0.309 0.000 0.990 326 D CA 0.829 55.044 54.000 0.358 0.000 0.839 326 D CB -0.181 40.857 40.800 0.396 0.000 0.948 326 D HN 0.253 nan 8.370 nan 0.000 0.460 327 W N 1.436 122.749 121.300 0.022 0.000 2.358 327 W HA -0.117 4.543 4.660 -0.000 0.000 0.303 327 W C 2.434 178.949 176.519 -0.006 0.000 1.208 327 W CA 1.656 58.944 57.345 -0.096 0.000 1.274 327 W CB -0.791 28.702 29.460 0.055 0.000 1.138 327 W HN -0.097 nan 8.180 nan 0.000 0.515 328 S N -0.774 114.956 115.700 0.050 0.000 2.402 328 S HA -0.285 4.185 4.470 -0.000 0.000 0.233 328 S C 1.254 175.744 174.600 -0.183 0.000 1.030 328 S CA 1.959 60.063 58.200 -0.161 0.000 1.003 328 S CB -0.793 62.320 63.200 -0.145 0.000 0.813 328 S HN 0.444 nan 8.310 nan 0.000 0.477 329 H N -0.893 118.225 119.070 0.079 0.000 2.553 329 H HA 0.346 4.902 4.556 -0.000 0.000 0.265 329 H C 0.070 175.377 175.328 -0.034 0.000 0.964 329 H CA -0.310 55.831 56.048 0.154 0.000 1.156 329 H CB 0.004 30.004 29.762 0.396 0.000 1.411 329 H HN 0.320 nan 8.280 nan 0.000 0.558 330 F N 2.641 122.390 119.950 -0.335 0.000 2.502 330 F HA 0.141 4.668 4.527 -0.000 0.000 0.371 330 F C -1.590 173.960 175.800 -0.417 0.000 1.083 330 F CA -3.062 54.472 58.000 -0.776 0.000 1.174 330 F CB 1.064 39.726 39.000 -0.563 0.000 1.096 330 F HN -0.012 nan 8.300 nan 0.000 0.545 331 P HA -0.169 nan 4.420 nan 0.000 0.221 331 P C 1.211 178.238 177.300 -0.455 0.000 1.145 331 P CA 1.465 64.239 63.100 -0.544 0.000 0.795 331 P CB 0.089 31.492 31.700 -0.495 0.000 0.775 332 L N -2.789 118.055 121.223 -0.631 0.000 2.607 332 L HA 0.265 4.605 4.340 -0.000 0.000 0.228 332 L C 1.513 178.427 176.870 0.073 0.000 1.123 332 L CA 0.121 54.845 54.840 -0.194 0.000 0.890 332 L CB -1.013 40.997 42.059 -0.082 0.000 1.103 332 L HN 0.091 nan 8.230 nan 0.000 0.468 333 G N 1.407 110.249 108.800 0.070 0.000 2.566 333 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.280 333 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.280 333 G C -0.451 174.536 174.900 0.145 0.000 1.225 333 G CA 0.254 45.364 45.100 0.016 0.000 0.966 333 G HN 0.375 nan 8.290 nan 0.000 0.560 334 D N 0.852 121.287 120.400 0.058 0.000 2.408 334 D HA 0.554 5.194 4.640 -0.000 0.000 0.243 334 D C -0.536 175.877 176.300 0.189 0.000 1.075 334 D CA -1.695 52.428 54.000 0.204 0.000 0.832 334 D CB 1.826 42.641 40.800 0.025 0.000 1.162 334 D HN 0.076 nan 8.370 nan 0.000 0.515 335 P HA -0.173 nan 4.420 nan 0.000 0.214 335 P C 1.823 179.202 177.300 0.132 0.000 1.163 335 P CA 1.099 64.309 63.100 0.183 0.000 0.889 335 P CB 0.509 32.325 31.700 0.192 0.000 0.790 336 I N -0.141 120.511 120.570 0.137 0.000 2.179 336 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 336 I C 2.645 178.816 176.117 0.090 0.000 1.088 336 I CA 1.603 62.965 61.300 0.103 0.000 1.357 336 I CB -0.939 37.150 38.000 0.148 0.000 1.051 336 I HN -0.086 nan 8.210 nan 0.000 0.409 337 A N 0.782 123.653 122.820 0.085 0.000 1.940 337 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 337 A C 2.393 179.991 177.584 0.023 0.000 1.176 337 A CA 1.652 53.708 52.037 0.031 0.000 0.631 337 A CB -0.553 18.442 19.000 -0.010 0.000 0.814 337 A HN 0.346 nan 8.150 nan 0.000 0.446 338 R N -1.528 118.998 120.500 0.044 0.000 2.075 338 R HA 0.023 4.363 4.340 -0.000 0.000 0.226 338 R C 2.092 178.433 176.300 0.068 0.000 1.114 338 R CA 1.136 57.266 56.100 0.050 0.000 0.972 338 R CB -0.400 29.936 30.300 0.059 0.000 0.869 338 R HN 0.472 nan 8.270 nan 0.000 0.437 339 L N 1.739 122.994 121.223 0.052 0.000 2.056 339 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 339 L C 2.182 179.048 176.870 -0.007 0.000 1.078 339 L CA 1.802 56.662 54.840 0.034 0.000 0.749 339 L CB -0.428 41.588 42.059 -0.071 0.000 0.901 339 L HN -0.015 nan 8.230 nan 0.000 0.433 340 K N -0.718 119.658 120.400 -0.040 0.000 2.020 340 K HA -0.304 4.016 4.320 -0.000 0.000 0.212 340 K C 2.206 178.829 176.600 0.039 0.000 1.050 340 K CA 2.188 58.452 56.287 -0.039 0.000 0.929 340 K CB -0.316 32.137 32.500 -0.078 0.000 0.714 340 K HN 0.577 nan 8.250 nan 0.000 0.443 341 Q N -0.330 119.494 119.800 0.040 0.000 2.030 341 Q HA -0.288 4.052 4.340 -0.000 0.000 0.204 341 Q C 2.167 178.221 176.000 0.090 0.000 0.986 341 Q CA 2.225 58.062 55.803 0.057 0.000 0.843 341 Q CB -0.288 28.480 28.738 0.049 0.000 0.904 341 Q HN 0.542 nan 8.270 nan 0.000 0.420 342 H N -0.184 118.902 119.070 0.026 0.000 2.321 342 H HA -0.138 4.418 4.556 -0.000 0.000 0.300 342 H C 1.806 177.171 175.328 0.063 0.000 1.087 342 H CA 1.805 57.878 56.048 0.041 0.000 1.319 342 H CB -0.309 29.475 29.762 0.037 0.000 1.379 342 H HN 0.299 nan 8.280 nan 0.000 0.501 343 L N 0.192 121.373 121.223 -0.070 0.000 2.131 343 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 343 L C 2.305 179.222 176.870 0.077 0.000 1.092 343 L CA 1.289 56.094 54.840 -0.058 0.000 0.759 343 L CB -0.654 41.377 42.059 -0.045 0.000 0.903 343 L HN 0.451 nan 8.230 nan 0.000 0.435 344 I N -0.975 119.667 120.570 0.121 0.000 2.202 344 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 344 I C 2.447 178.583 176.117 0.032 0.000 1.091 344 I CA 1.151 62.523 61.300 0.119 0.000 1.368 344 I CB -0.292 37.778 38.000 0.117 0.000 1.058 344 I HN 0.210 nan 8.210 nan 0.000 0.410 345 K N 1.299 121.695 120.400 -0.007 0.000 2.209 345 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 345 K C 1.754 178.335 176.600 -0.032 0.000 1.048 345 K CA 1.293 57.570 56.287 -0.016 0.000 0.940 345 K CB -0.077 32.423 32.500 -0.000 0.000 0.729 345 K HN 0.507 nan 8.250 nan 0.000 0.451 346 I N -3.927 116.601 120.570 -0.070 0.000 3.928 346 I HA 0.329 4.499 4.170 -0.000 0.000 0.335 346 I C 0.483 176.630 176.117 0.051 0.000 1.325 346 I CA 0.086 61.380 61.300 -0.010 0.000 1.107 346 I CB 0.580 38.544 38.000 -0.061 0.000 1.014 346 I HN 0.083 nan 8.210 nan 0.000 0.400 347 G N 2.454 111.250 108.800 -0.006 0.000 2.326 347 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.286 347 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.286 347 G C -0.026 174.674 174.900 -0.334 0.000 1.096 347 G CA 0.186 45.213 45.100 -0.121 0.000 1.003 347 G HN 0.726 nan 8.290 nan 0.000 0.503 348 H N -1.862 117.256 119.070 0.079 0.000 2.904 348 H HA 0.261 4.817 4.556 -0.000 0.000 0.242 348 H C 0.090 175.608 175.328 0.317 0.000 1.193 348 H CA 0.032 56.160 56.048 0.134 0.000 0.946 348 H CB 0.483 30.302 29.762 0.094 0.000 2.135 348 H HN 0.598 nan 8.280 nan 0.000 0.652 349 W N 1.218 122.542 121.300 0.040 0.000 3.079 349 W HA 0.322 4.982 4.660 -0.000 0.000 0.329 349 W C -1.459 175.067 176.519 0.012 0.000 1.181 349 W CA -0.374 56.995 57.345 0.041 0.000 1.160 349 W CB 1.862 31.358 29.460 0.060 0.000 1.423 349 W HN 0.052 nan 8.180 nan 0.000 0.566 350 S N 0.553 116.066 115.700 -0.311 0.000 2.587 350 S HA 0.213 4.683 4.470 -0.000 0.000 0.269 350 S C 0.084 174.535 174.600 -0.248 0.000 1.154 350 S CA -0.662 57.424 58.200 -0.190 0.000 0.824 350 S CB 2.127 65.219 63.200 -0.180 0.000 1.118 350 S HN 0.475 nan 8.310 nan 0.000 0.462 351 E N 1.141 121.278 120.200 -0.106 0.000 2.171 351 E HA -0.188 4.162 4.350 -0.000 0.000 0.197 351 E C 1.389 177.940 176.600 -0.082 0.000 0.997 351 E CA 1.958 58.325 56.400 -0.055 0.000 0.810 351 E CB -0.278 29.401 29.700 -0.035 0.000 0.738 351 E HN 0.741 nan 8.360 nan 0.000 0.467 352 E N 0.925 121.035 120.200 -0.150 0.000 2.017 352 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 352 E C 2.086 178.541 176.600 -0.241 0.000 0.997 352 E CA 1.223 57.528 56.400 -0.159 0.000 0.804 352 E CB -0.254 29.356 29.700 -0.150 0.000 0.757 352 E HN 0.326 nan 8.360 nan 0.000 0.448 353 E N -0.450 119.494 120.200 -0.427 0.000 2.085 353 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 353 E C 2.076 178.314 176.600 -0.603 0.000 0.994 353 E CA 1.333 57.348 56.400 -0.642 0.000 0.801 353 E CB -0.185 28.840 29.700 -1.125 0.000 0.743 353 E HN 0.317 nan 8.360 nan 0.000 0.453 354 H N 0.391 119.074 119.070 -0.646 0.000 2.319 354 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 354 H C 2.131 177.467 175.328 0.013 0.000 1.092 354 H CA 1.913 57.918 56.048 -0.072 0.000 1.302 354 H CB 0.178 30.036 29.762 0.160 0.000 1.373 354 H HN -0.034 nan 8.280 nan 0.000 0.497 355 Q N -0.328 119.503 119.800 0.053 0.000 2.167 355 Q HA 0.019 4.359 4.340 -0.000 0.000 0.202 355 Q C 2.308 178.281 176.000 -0.044 0.000 0.970 355 Q CA 1.279 57.098 55.803 0.027 0.000 0.855 355 Q CB -0.245 28.505 28.738 0.019 0.000 0.911 355 Q HN 0.580 nan 8.270 nan 0.000 0.438 356 A N -0.717 122.041 122.820 -0.103 0.000 1.855 356 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 356 A C 2.240 179.737 177.584 -0.145 0.000 1.191 356 A CA 1.968 53.929 52.037 -0.126 0.000 0.613 356 A CB -1.041 17.863 19.000 -0.159 0.000 0.829 356 A HN 0.410 nan 8.150 nan 0.000 0.442 357 T N -0.006 114.457 114.554 -0.151 0.000 2.720 357 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 357 T C 1.992 176.633 174.700 -0.099 0.000 1.037 357 T CA 1.966 63.975 62.100 -0.151 0.000 1.144 357 T CB -0.654 68.265 68.868 0.085 0.000 0.864 357 T HN 0.559 nan 8.240 nan 0.000 0.444 358 T N 2.061 116.602 114.554 -0.021 0.000 2.684 358 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 358 T C 2.417 177.136 174.700 0.031 0.000 1.036 358 T CA 1.289 63.418 62.100 0.050 0.000 1.148 358 T CB -0.654 68.232 68.868 0.029 0.000 0.863 358 T HN 0.462 nan 8.240 nan 0.000 0.436 359 A N 2.043 124.847 122.820 -0.026 0.000 1.883 359 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 359 A C 2.231 179.781 177.584 -0.057 0.000 1.186 359 A CA 2.207 54.224 52.037 -0.033 0.000 0.624 359 A CB -0.719 18.251 19.000 -0.050 0.000 0.822 359 A HN 0.803 nan 8.150 nan 0.000 0.444 360 E N -1.173 118.936 120.200 -0.151 0.000 2.072 360 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 360 E C 1.776 178.292 176.600 -0.141 0.000 0.985 360 E CA 1.286 57.561 56.400 -0.209 0.000 0.801 360 E CB -0.623 28.870 29.700 -0.345 0.000 0.750 360 E HN 0.632 nan 8.360 nan 0.000 0.452 361 F N 1.660 121.612 119.950 0.003 0.000 2.234 361 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 361 F C 2.544 178.354 175.800 0.017 0.000 1.087 361 F CA 0.629 58.637 58.000 0.013 0.000 1.340 361 F CB 0.049 39.059 39.000 0.016 0.000 1.031 361 F HN -0.016 nan 8.300 nan 0.000 0.500 362 E N 0.616 120.918 120.200 0.170 0.000 2.058 362 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 362 E C 2.426 179.062 176.600 0.061 0.000 0.997 362 E CA 1.272 57.726 56.400 0.091 0.000 0.801 362 E CB -0.545 29.186 29.700 0.053 0.000 0.746 362 E HN 0.393 nan 8.360 nan 0.000 0.450 363 A N 1.537 124.382 122.820 0.041 0.000 1.873 363 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 363 A C 2.452 180.061 177.584 0.041 0.000 1.186 363 A CA 2.016 54.066 52.037 0.022 0.000 0.616 363 A CB -0.637 18.360 19.000 -0.004 0.000 0.823 363 A HN 0.270 nan 8.150 nan 0.000 0.442 364 A N -0.503 122.360 122.820 0.071 0.000 1.883 364 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 364 A C 2.236 179.885 177.584 0.107 0.000 1.186 364 A CA 1.992 54.088 52.037 0.099 0.000 0.624 364 A CB -1.014 18.085 19.000 0.166 0.000 0.822 364 A HN 0.427 nan 8.150 nan 0.000 0.444 365 V N 0.038 120.029 119.914 0.127 0.000 2.358 365 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 365 V C 2.387 178.505 176.094 0.039 0.000 1.047 365 V CA 1.534 63.898 62.300 0.106 0.000 1.035 365 V CB -0.604 31.277 31.823 0.096 0.000 0.658 365 V HN 0.546 nan 8.190 nan 0.000 0.452 366 I N 0.546 121.131 120.570 0.025 0.000 2.226 366 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 366 I C 2.561 178.682 176.117 0.008 0.000 1.100 366 I CA 2.031 63.332 61.300 0.001 0.000 1.374 366 I CB -1.054 36.945 38.000 -0.002 0.000 1.057 366 I HN 0.301 nan 8.210 nan 0.000 0.413 367 A N 0.590 123.423 122.820 0.021 0.000 1.877 367 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 367 A C 2.540 180.145 177.584 0.034 0.000 1.186 367 A CA 1.984 54.035 52.037 0.023 0.000 0.620 367 A CB -0.950 18.065 19.000 0.025 0.000 0.822 367 A HN 0.455 nan 8.150 nan 0.000 0.443 368 A N -0.925 121.925 122.820 0.050 0.000 1.908 368 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 368 A C 2.196 179.813 177.584 0.056 0.000 1.181 368 A CA 1.938 54.014 52.037 0.065 0.000 0.627 368 A CB -0.632 18.426 19.000 0.096 0.000 0.818 368 A HN 0.658 nan 8.150 nan 0.000 0.445 369 Q N -0.479 119.338 119.800 0.029 0.000 2.124 369 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 369 Q C 2.013 178.019 176.000 0.010 0.000 0.977 369 Q CA 1.772 57.576 55.803 0.002 0.000 0.850 369 Q CB -0.083 28.628 28.738 -0.045 0.000 0.901 369 Q HN 0.689 nan 8.270 nan 0.000 0.429 370 K N 0.001 120.406 120.400 0.009 0.000 2.057 370 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 370 K C 1.944 178.557 176.600 0.021 0.000 1.050 370 K CA 1.411 57.700 56.287 0.003 0.000 0.935 370 K CB 0.065 32.562 32.500 -0.005 0.000 0.715 370 K HN 0.149 nan 8.250 nan 0.000 0.439 371 E N 0.550 120.780 120.200 0.051 0.000 2.153 371 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 371 E C 1.781 178.495 176.600 0.191 0.000 0.988 371 E CA 1.334 57.795 56.400 0.101 0.000 0.811 371 E CB -0.051 29.713 29.700 0.106 0.000 0.746 371 E HN 0.337 nan 8.360 nan 0.000 0.466 372 A N 0.687 123.595 122.820 0.147 0.000 1.898 372 A HA -0.145 4.175 4.320 -0.000 0.000 0.214 372 A C 1.866 179.554 177.584 0.174 0.000 1.183 372 A CA 1.182 53.328 52.037 0.182 0.000 0.622 372 A CB -0.282 18.780 19.000 0.104 0.000 0.824 372 A HN 0.137 nan 8.150 nan 0.000 0.444 373 E N -0.303 119.939 120.200 0.071 0.000 2.338 373 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 373 E C 1.925 178.497 176.600 -0.046 0.000 1.007 373 E CA 0.438 56.848 56.400 0.017 0.000 0.849 373 E CB -0.049 29.642 29.700 -0.015 0.000 0.774 373 E HN 0.437 nan 8.360 nan 0.000 0.506 374 Q N -0.454 119.294 119.800 -0.086 0.000 2.217 374 Q HA -0.184 4.156 4.340 -0.000 0.000 0.209 374 Q C 0.652 176.395 176.000 -0.427 0.000 0.988 374 Q CA 1.449 57.070 55.803 -0.303 0.000 0.878 374 Q CB -0.100 28.367 28.738 -0.452 0.000 0.909 374 Q HN 0.517 nan 8.270 nan 0.000 0.424 375 Y N -0.703 119.565 120.300 -0.052 0.000 2.708 375 Y HA 0.405 4.955 4.550 -0.000 0.000 0.287 375 Y C 1.011 176.901 175.900 -0.018 0.000 1.145 375 Y CA 0.171 58.253 58.100 -0.031 0.000 1.249 375 Y CB 0.547 39.008 38.460 0.001 0.000 1.152 375 Y HN 0.092 nan 8.280 nan 0.000 0.532 376 G N -0.299 108.511 108.800 0.017 0.000 2.555 376 G HA2 0.132 4.092 3.960 -0.000 0.000 0.686 376 G HA3 0.132 4.092 3.960 -0.000 0.000 0.686 376 G C -0.627 174.306 174.900 0.055 0.000 1.275 376 G CA -0.517 44.613 45.100 0.050 0.000 0.871 376 G HN 0.111 nan 8.290 nan 0.000 0.603 377 T N -0.739 113.855 114.554 0.067 0.000 2.637 377 T HA 0.504 4.854 4.350 -0.000 0.000 0.303 377 T C 1.635 176.367 174.700 0.053 0.000 1.288 377 T CA -0.224 61.904 62.100 0.045 0.000 1.040 377 T CB 1.129 70.009 68.868 0.020 0.000 1.644 377 T HN 0.610 nan 8.240 nan 0.000 0.480 378 L N 0.435 121.679 121.223 0.035 0.000 2.056 378 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 378 L C 2.811 179.702 176.870 0.035 0.000 1.078 378 L CA 1.934 56.793 54.840 0.031 0.000 0.749 378 L CB -0.692 41.380 42.059 0.021 0.000 0.901 378 L HN 0.841 nan 8.230 nan 0.000 0.433 379 A N 0.170 123.011 122.820 0.034 0.000 1.826 379 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 379 A C 0.783 178.405 177.584 0.063 0.000 1.212 379 A CA 0.634 52.693 52.037 0.036 0.000 0.605 379 A CB -0.917 18.099 19.000 0.026 0.000 0.861 379 A HN 0.454 nan 8.150 nan 0.000 0.447 380 N N 1.085 119.844 118.700 0.099 0.000 2.236 380 N HA 0.152 4.892 4.740 -0.000 0.000 0.274 380 N C 0.872 176.488 175.510 0.177 0.000 1.339 380 N CA 0.809 53.995 53.050 0.227 0.000 0.845 380 N CB 0.188 38.837 38.487 0.270 0.000 1.091 380 N HN 0.389 nan 8.380 nan 0.000 0.489 381 G N 0.947 109.792 108.800 0.075 0.000 2.653 381 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.212 381 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.212 381 G C -0.155 174.718 174.900 -0.045 0.000 1.138 381 G CA 0.125 45.212 45.100 -0.022 0.000 0.782 381 G HN 0.674 nan 8.290 nan 0.000 0.535 382 H N 0.599 119.679 119.070 0.017 0.000 3.432 382 H HA 0.356 4.912 4.556 -0.000 0.000 0.252 382 H C 0.757 176.106 175.328 0.035 0.000 1.397 382 H CA 0.178 56.243 56.048 0.028 0.000 1.549 382 H CB -0.480 29.300 29.762 0.030 0.000 1.699 382 H HN 0.483 nan 8.280 nan 0.000 0.523 383 I N -0.806 119.817 120.570 0.088 0.000 3.239 383 I HA 0.666 4.836 4.170 -0.000 0.000 0.314 383 I C -2.686 173.460 176.117 0.049 0.000 1.126 383 I CA -3.355 57.985 61.300 0.066 0.000 0.973 383 I CB 2.104 40.125 38.000 0.034 0.000 1.252 383 I HN 0.022 nan 8.210 nan 0.000 0.463 384 P HA 0.105 nan 4.420 nan 0.000 0.269 384 P C -0.511 176.798 177.300 0.016 0.000 1.215 384 P CA -0.191 62.924 63.100 0.025 0.000 0.780 384 P CB 0.503 32.210 31.700 0.011 0.000 0.898 385 S N 0.920 116.633 115.700 0.021 0.000 2.573 385 S HA 0.202 4.672 4.470 -0.000 0.000 0.277 385 S C 1.278 175.888 174.600 0.017 0.000 1.346 385 S CA 0.067 58.281 58.200 0.024 0.000 1.034 385 S CB 0.356 63.578 63.200 0.037 0.000 0.879 385 S HN 0.515 nan 8.310 nan 0.000 0.528 386 A N 1.789 124.626 122.820 0.027 0.000 2.119 386 A HA 0.383 4.703 4.320 -0.000 0.000 0.216 386 A C 2.128 179.759 177.584 0.078 0.000 1.152 386 A CA 0.933 52.980 52.037 0.018 0.000 0.708 386 A CB -1.082 17.942 19.000 0.039 0.000 0.805 386 A HN 1.284 nan 8.150 nan 0.000 0.460 387 A N 0.123 123.030 122.820 0.146 0.000 2.132 387 A HA 0.129 4.449 4.320 -0.000 0.000 0.213 387 A C 2.125 179.841 177.584 0.221 0.000 1.154 387 A CA 1.241 53.444 52.037 0.277 0.000 0.753 387 A CB -0.544 18.560 19.000 0.173 0.000 0.826 387 A HN 0.804 nan 8.150 nan 0.000 0.469 388 S N -1.707 114.049 115.700 0.094 0.000 2.607 388 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 388 S C 1.651 176.249 174.600 -0.003 0.000 0.969 388 S CA 0.973 59.207 58.200 0.056 0.000 0.927 388 S CB -0.459 62.758 63.200 0.028 0.000 0.772 388 S HN 0.402 nan 8.310 nan 0.000 0.533 389 M N 0.746 120.287 119.600 -0.099 0.000 2.319 389 M HA 0.291 4.771 4.480 -0.000 0.000 0.265 389 M C 1.027 177.108 176.300 -0.365 0.000 1.068 389 M CA 1.099 56.214 55.300 -0.309 0.000 1.118 389 M CB -1.494 30.786 32.600 -0.534 0.000 1.395 389 M HN 0.683 nan 8.290 nan 0.000 0.435 390 F N -0.066 119.884 119.950 -0.000 0.000 2.754 390 F HA 0.334 4.861 4.527 -0.000 0.000 0.297 390 F C 1.214 177.019 175.800 0.008 0.000 1.122 390 F CA -0.239 57.761 58.000 -0.000 0.000 1.400 390 F CB -0.189 38.802 39.000 -0.014 0.000 1.117 390 F HN 0.234 nan 8.300 nan 0.000 0.587 391 E N 0.719 121.012 120.200 0.155 0.000 2.374 391 E HA 0.004 4.354 4.350 -0.000 0.000 0.260 391 E C 0.094 176.733 176.600 0.064 0.000 1.101 391 E CA 0.110 56.571 56.400 0.103 0.000 0.907 391 E CB 0.285 30.031 29.700 0.075 0.000 1.014 391 E HN 0.085 nan 8.360 nan 0.000 0.427 392 D N -0.110 120.328 120.400 0.063 0.000 2.978 392 D HA -0.191 4.449 4.640 -0.000 0.000 0.205 392 D C 1.086 177.388 176.300 0.004 0.000 1.093 392 D CA 0.803 54.824 54.000 0.035 0.000 1.006 392 D CB -1.273 39.535 40.800 0.014 0.000 1.116 392 D HN 0.216 nan 8.370 nan 0.000 0.419 393 V N -1.021 118.904 119.914 0.018 0.000 2.343 393 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 393 V C 1.124 177.049 176.094 -0.281 0.000 1.051 393 V CA 1.725 63.970 62.300 -0.093 0.000 1.036 393 V CB -0.303 31.528 31.823 0.013 0.000 0.654 393 V HN 0.215 nan 8.190 nan 0.000 0.451 394 Y N -1.709 118.617 120.300 0.044 0.000 2.633 394 Y HA 0.379 4.929 4.550 -0.000 0.000 0.339 394 Y C 1.206 177.127 175.900 0.035 0.000 1.045 394 Y CA -1.068 57.059 58.100 0.044 0.000 1.098 394 Y CB 1.328 39.820 38.460 0.052 0.000 1.296 394 Y HN -0.330 nan 8.280 nan 0.000 0.494 395 K N 0.459 120.983 120.400 0.205 0.000 2.032 395 K HA -0.129 4.191 4.320 -0.000 0.000 0.209 395 K C -0.627 176.036 176.600 0.106 0.000 1.048 395 K CA 1.709 58.068 56.287 0.120 0.000 0.927 395 K CB 0.049 32.607 32.500 0.096 0.000 0.712 395 K HN 0.729 nan 8.250 nan 0.000 0.441 396 E N 0.388 120.654 120.200 0.110 0.000 2.187 396 E HA 0.100 4.450 4.350 -0.000 0.000 0.268 396 E C -1.324 175.317 176.600 0.068 0.000 0.896 396 E CA -0.511 55.931 56.400 0.069 0.000 0.766 396 E CB 2.008 31.729 29.700 0.036 0.000 1.142 396 E HN -0.109 nan 8.360 nan 0.000 0.408 397 M N 4.196 123.826 119.600 0.051 0.000 2.474 397 M HA 0.110 4.590 4.480 -0.000 0.000 0.352 397 M C -2.311 173.957 176.300 -0.053 0.000 1.690 397 M CA -1.221 54.096 55.300 0.027 0.000 1.112 397 M CB -0.835 31.777 32.600 0.020 0.000 2.062 397 M HN 0.375 nan 8.290 nan 0.000 0.461 398 P HA 0.132 nan 4.420 nan 0.000 0.272 398 P C 0.833 178.038 177.300 -0.159 0.000 1.240 398 P CA -0.327 62.679 63.100 -0.155 0.000 0.791 398 P CB 0.454 32.018 31.700 -0.226 0.000 0.978 399 D N 0.457 120.827 120.400 -0.050 0.000 2.126 399 D HA -0.256 4.384 4.640 -0.000 0.000 0.190 399 D C 1.535 177.814 176.300 -0.035 0.000 1.001 399 D CA 1.646 55.629 54.000 -0.028 0.000 0.841 399 D CB -0.166 40.642 40.800 0.013 0.000 0.949 399 D HN 0.574 nan 8.370 nan 0.000 0.446 400 H N 0.512 119.552 119.070 -0.051 0.000 2.387 400 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 400 H C 2.591 177.901 175.328 -0.030 0.000 1.090 400 H CA 0.612 56.641 56.048 -0.031 0.000 1.332 400 H CB -0.978 28.778 29.762 -0.010 0.000 1.386 400 H HN 0.250 nan 8.280 nan 0.000 0.516 401 L N 0.490 121.306 121.223 -0.677 0.000 2.093 401 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 401 L C 3.118 179.785 176.870 -0.338 0.000 1.085 401 L CA 0.936 55.538 54.840 -0.397 0.000 0.755 401 L CB -0.277 41.603 42.059 -0.297 0.000 0.904 401 L HN 0.183 nan 8.230 nan 0.000 0.435 402 R N -0.074 120.275 120.500 -0.253 0.000 2.083 402 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 402 R C 2.417 178.586 176.300 -0.219 0.000 1.137 402 R CA 1.412 57.388 56.100 -0.207 0.000 0.951 402 R CB -0.345 29.880 30.300 -0.125 0.000 0.851 402 R HN 0.362 nan 8.270 nan 0.000 0.434 403 R N 0.671 121.074 120.500 -0.162 0.000 2.073 403 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 403 R C 2.417 178.614 176.300 -0.172 0.000 1.134 403 R CA 1.542 57.569 56.100 -0.122 0.000 0.952 403 R CB -0.236 30.034 30.300 -0.050 0.000 0.850 403 R HN 0.356 nan 8.270 nan 0.000 0.433 404 Q N -0.051 119.621 119.800 -0.214 0.000 2.124 404 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 404 Q C 2.211 177.882 176.000 -0.548 0.000 0.977 404 Q CA 1.204 56.868 55.803 -0.233 0.000 0.850 404 Q CB -0.089 28.605 28.738 -0.074 0.000 0.901 404 Q HN 0.260 nan 8.270 nan 0.000 0.429 405 R N 0.519 120.442 120.500 -0.961 0.000 2.066 405 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 405 R C 2.277 178.349 176.300 -0.379 0.000 1.131 405 R CA 1.204 56.676 56.100 -1.046 0.000 0.955 405 R CB -0.035 29.731 30.300 -0.889 0.000 0.851 405 R HN 0.192 nan 8.270 nan 0.000 0.432 406 Q N 0.919 120.563 119.800 -0.260 0.000 2.226 406 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 406 Q C 1.081 177.026 176.000 -0.091 0.000 0.975 406 Q CA 1.383 57.106 55.803 -0.133 0.000 0.866 406 Q CB 0.068 28.745 28.738 -0.103 0.000 0.915 406 Q HN 0.461 nan 8.270 nan 0.000 0.440 407 E N -0.161 119.978 120.200 -0.102 0.000 2.505 407 E HA -0.037 4.313 4.350 -0.000 0.000 0.197 407 E C -0.075 176.521 176.600 -0.007 0.000 1.111 407 E CA -0.159 56.214 56.400 -0.045 0.000 0.887 407 E CB 0.190 29.869 29.700 -0.034 0.000 0.913 407 E HN 0.059 nan 8.360 nan 0.000 0.517 408 L N 0.000 121.219 121.223 -0.006 0.000 2.949 408 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 408 L CA 0.000 54.872 54.840 0.053 0.000 0.813 408 L CB 0.000 42.151 42.059 0.153 0.000 0.961 408 L HN 0.000 nan 8.230 nan 0.000 0.502