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 1i7q_1_A DATA FIRST_RESID 4 DATA SEQUENCE TKPQLTLLKV QASYRGDPTT LFHQLCGARP ATLLLESAEI NDKQNLQSLL DATA SEQUENCE VIDSALRITA LGHTVSVQAL TANGPALLPL LDEALPPEVR NQARPNGREL DATA SEQUENCE TFPAIDAVQD EDARLRSLSV FDALRTILTL VDSPADEREA VMLGGLFAYD DATA SEQUENCE LVAGFENLPA LRQDQRCPDF CFYLAETLLV LDHQRGSARL QASVFSEQAS DATA SEQUENCE EAQRLQHRLE QLQAELQQPP QPIPHQKLEN MQLSCNQSDE EYGAVVSELQ DATA SEQUENCE EAIRQGEIFQ VVPSRRFSLP CPAPLGPYQT LKDNNPSPYM FFMQDDDFTL DATA SEQUENCE FGASPESALK YDAGNRQIEI YPIAGTRPRG RRADGSLDLD LDSRIELEMR DATA SEQUENCE TDHKELAEHL MLVDLARNDL ARICQAGSRY VADLTKVDRY SFVMHLVSRV DATA SEQUENCE VGTLRADLDV LHAYQACMNM GTLSGAPKVR AMQLIAALRS TRRGSYGGRV DATA SEQUENCE GYFTAVRNLD TCIVIRSAYV EDGHRTVQAG AGVVQDSIPE READETRNKA DATA SEQUENCE RAVLRAIATA HHAKEVF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.717 174.700 0.028 0.000 1.109 4 T CA 0.000 62.114 62.100 0.023 0.000 1.349 4 T CB 0.000 68.880 68.868 0.020 0.000 0.612 5 K N 2.386 122.805 120.400 0.032 0.000 2.489 5 K HA 0.393 4.698 4.320 -0.024 0.000 0.278 5 K C -2.336 174.289 176.600 0.040 0.000 1.000 5 K CA -0.838 55.473 56.287 0.039 0.000 1.012 5 K CB 0.342 32.868 32.500 0.044 0.000 0.903 5 K HN 0.156 nan 8.250 nan 0.000 0.485 6 P HA 0.027 nan 4.420 nan 0.000 0.271 6 P C -1.317 176.011 177.300 0.045 0.000 1.233 6 P CA -0.293 62.835 63.100 0.046 0.000 0.789 6 P CB 0.571 32.307 31.700 0.060 0.000 0.951 7 Q N 0.458 120.275 119.800 0.029 0.000 2.282 7 Q HA 0.483 4.809 4.340 -0.024 0.000 0.260 7 Q C -0.956 175.041 176.000 -0.005 0.000 0.964 7 Q CA -0.787 55.025 55.803 0.015 0.000 0.880 7 Q CB 0.939 29.680 28.738 0.005 0.000 1.286 7 Q HN 0.289 nan 8.270 nan 0.000 0.445 8 L N 2.058 123.265 121.223 -0.027 0.000 2.467 8 L HA 0.358 4.683 4.340 -0.024 0.000 0.270 8 L C -0.566 176.240 176.870 -0.107 0.000 1.205 8 L CA 0.801 55.575 54.840 -0.109 0.000 0.828 8 L CB 1.002 42.963 42.059 -0.164 0.000 1.101 8 L HN 0.623 nan 8.230 nan 0.000 0.479 9 T N 5.831 120.298 114.554 -0.145 0.000 2.788 9 T HA 0.400 4.736 4.350 -0.024 0.000 0.296 9 T C -0.724 173.889 174.700 -0.145 0.000 1.009 9 T CA -0.210 61.823 62.100 -0.112 0.000 0.949 9 T CB 0.652 69.466 68.868 -0.089 0.000 0.946 9 T HN 0.435 nan 8.240 nan 0.000 0.453 10 L N 5.817 126.972 121.223 -0.113 0.000 2.255 10 L HA 0.503 4.828 4.340 -0.024 0.000 0.289 10 L C -1.118 175.704 176.870 -0.080 0.000 1.046 10 L CA -0.615 54.160 54.840 -0.108 0.000 0.816 10 L CB 0.151 42.161 42.059 -0.083 0.000 1.197 10 L HN 0.386 nan 8.230 nan 0.000 0.427 11 L N 5.688 126.863 121.223 -0.081 0.000 2.334 11 L HA 0.515 4.841 4.340 -0.024 0.000 0.277 11 L C 0.003 176.844 176.870 -0.047 0.000 1.075 11 L CA 0.020 54.823 54.840 -0.062 0.000 0.804 11 L CB 1.070 43.090 42.059 -0.065 0.000 1.174 11 L HN 0.555 nan 8.230 nan 0.000 0.438 12 K N 2.176 122.555 120.400 -0.036 0.000 2.426 12 K HA 0.831 5.137 4.320 -0.024 0.000 0.251 12 K C -1.580 175.009 176.600 -0.019 0.000 0.941 12 K CA -0.788 55.483 56.287 -0.026 0.000 0.808 12 K CB 2.992 35.479 32.500 -0.022 0.000 1.265 12 K HN 0.225 nan 8.250 nan 0.000 0.432 13 V N 1.619 121.525 119.914 -0.013 0.000 2.971 13 V HA 0.145 4.251 4.120 -0.024 0.000 0.309 13 V C -0.695 175.398 176.094 -0.002 0.000 1.130 13 V CA -0.928 61.367 62.300 -0.007 0.000 0.964 13 V CB 2.177 33.997 31.823 -0.005 0.000 1.029 13 V HN 0.767 nan 8.190 nan 0.000 0.427 14 Q N 2.647 122.448 119.800 0.001 0.000 2.315 14 Q HA 0.513 4.839 4.340 -0.024 0.000 0.289 14 Q C -0.411 175.595 176.000 0.009 0.000 1.044 14 Q CA 0.838 56.644 55.803 0.006 0.000 0.920 14 Q CB 1.038 29.780 28.738 0.007 0.000 1.214 14 Q HN 1.079 nan 8.270 nan 0.000 0.392 15 A N 3.377 126.207 122.820 0.016 0.000 2.398 15 A HA 0.613 4.919 4.320 -0.024 0.000 0.301 15 A C -0.781 176.826 177.584 0.038 0.000 1.041 15 A CA -0.271 51.778 52.037 0.020 0.000 0.711 15 A CB 1.368 20.377 19.000 0.015 0.000 1.240 15 A HN 0.943 nan 8.150 nan 0.000 0.420 16 S N 1.867 117.588 115.700 0.036 0.000 2.565 16 S HA 0.491 4.947 4.470 -0.024 0.000 0.274 16 S C -0.166 174.484 174.600 0.082 0.000 1.309 16 S CA -0.304 57.933 58.200 0.062 0.000 1.043 16 S CB 0.407 63.632 63.200 0.043 0.000 0.939 16 S HN 0.950 nan 8.310 nan 0.000 0.504 17 Y N 2.804 123.106 120.300 0.003 0.000 2.480 17 Y HA 0.425 4.960 4.550 -0.024 0.000 0.338 17 Y C 0.461 176.375 175.900 0.024 0.000 1.220 17 Y CA -0.003 58.102 58.100 0.008 0.000 1.430 17 Y CB 0.548 39.013 38.460 0.008 0.000 1.311 17 Y HN 0.649 nan 8.280 nan 0.000 0.575 18 R N 3.213 123.146 120.500 -0.945 0.000 2.574 18 R HA 0.314 4.639 4.340 -0.024 0.000 0.288 18 R C 0.042 175.782 176.300 -0.932 0.000 1.004 18 R CA -0.164 55.554 56.100 -0.637 0.000 0.895 18 R CB 1.699 31.827 30.300 -0.287 0.000 1.191 18 R HN 0.981 nan 8.270 nan 0.000 0.444 19 G N 1.302 109.839 108.800 -0.438 0.000 3.434 19 G HA2 -0.014 3.932 3.960 -0.024 0.000 0.258 19 G HA3 -0.014 3.932 3.960 -0.024 0.000 0.258 19 G C -0.126 174.736 174.900 -0.063 0.000 1.128 19 G CA -0.185 44.846 45.100 -0.116 0.000 0.792 19 G HN 0.536 nan 8.290 nan 0.000 0.539 20 D N 0.157 120.505 120.400 -0.087 0.000 2.749 20 D HA 0.172 4.798 4.640 -0.024 0.000 0.338 20 D C -1.667 174.614 176.300 -0.032 0.000 1.236 20 D CA -1.579 52.386 54.000 -0.058 0.000 0.845 20 D CB 1.243 42.015 40.800 -0.048 0.000 1.080 20 D HN 0.078 nan 8.370 nan 0.000 0.497 21 P HA -0.234 nan 4.420 nan 0.000 0.217 21 P C 1.454 178.802 177.300 0.080 0.000 1.151 21 P CA 1.343 64.479 63.100 0.061 0.000 0.849 21 P CB 0.206 31.977 31.700 0.118 0.000 0.787 22 T N -0.769 113.798 114.554 0.021 0.000 2.737 22 T HA -0.073 4.263 4.350 -0.024 0.000 0.265 22 T C 1.795 176.519 174.700 0.039 0.000 1.038 22 T CA 2.121 64.220 62.100 -0.002 0.000 1.144 22 T CB -0.845 67.962 68.868 -0.101 0.000 0.866 22 T HN 0.173 nan 8.240 nan 0.000 0.434 23 T N 2.498 117.060 114.554 0.014 0.000 2.833 23 T HA -0.040 4.295 4.350 -0.024 0.000 0.269 23 T C 1.799 176.556 174.700 0.095 0.000 1.054 23 T CA 0.830 62.958 62.100 0.047 0.000 1.135 23 T CB -0.365 68.508 68.868 0.007 0.000 0.869 23 T HN 0.134 nan 8.240 nan 0.000 0.466 24 L N 0.807 122.071 121.223 0.068 0.000 2.017 24 L HA 0.084 4.409 4.340 -0.024 0.000 0.208 24 L C 2.003 178.923 176.870 0.084 0.000 1.073 24 L CA 1.578 56.448 54.840 0.050 0.000 0.745 24 L CB -1.005 41.070 42.059 0.027 0.000 0.894 24 L HN 0.254 nan 8.230 nan 0.000 0.432 25 F N -0.233 119.720 119.950 0.006 0.000 2.120 25 F HA -0.307 4.205 4.527 -0.024 0.000 0.300 25 F C 2.635 178.459 175.800 0.041 0.000 1.095 25 F CA 2.191 60.201 58.000 0.017 0.000 1.249 25 F CB -0.444 38.554 39.000 -0.003 0.000 0.995 25 F HN 0.442 nan 8.300 nan 0.000 0.480 26 H N 0.046 119.187 119.070 0.119 0.000 2.353 26 H HA -0.177 4.364 4.556 -0.024 0.000 0.300 26 H C 2.355 177.642 175.328 -0.069 0.000 1.090 26 H CA 2.344 58.407 56.048 0.024 0.000 1.327 26 H CB -0.549 29.238 29.762 0.043 0.000 1.383 26 H HN 0.518 nan 8.280 nan 0.000 0.508 27 Q N -0.171 119.558 119.800 -0.118 0.000 2.050 27 Q HA -0.105 4.221 4.340 -0.024 0.000 0.202 27 Q C 2.133 178.007 176.000 -0.210 0.000 0.980 27 Q CA 1.884 57.572 55.803 -0.193 0.000 0.840 27 Q CB 0.002 28.695 28.738 -0.076 0.000 0.898 27 Q HN 0.568 nan 8.270 nan 0.000 0.424 28 L N -0.842 120.267 121.223 -0.189 0.000 2.209 28 L HA -0.054 4.271 4.340 -0.024 0.000 0.207 28 L C 2.153 178.854 176.870 -0.281 0.000 1.094 28 L CA 0.396 55.117 54.840 -0.198 0.000 0.790 28 L CB 0.067 42.035 42.059 -0.152 0.000 0.932 28 L HN 0.387 nan 8.230 nan 0.000 0.447 29 C N -0.902 118.129 119.300 -0.448 0.000 3.019 29 C HA 0.412 4.857 4.460 -0.024 0.000 0.295 29 C C 1.873 176.646 174.990 -0.361 0.000 1.256 29 C CA -0.141 58.553 59.018 -0.540 0.000 1.706 29 C CB -0.328 26.716 27.740 -1.160 0.000 2.153 29 C HN 0.716 nan 8.230 nan 0.000 0.618 30 G N 1.736 110.354 108.800 -0.303 0.000 2.652 30 G HA2 -0.234 3.712 3.960 -0.024 0.000 0.318 30 G HA3 -0.234 3.712 3.960 -0.024 0.000 0.318 30 G C 0.900 175.811 174.900 0.019 0.000 1.295 30 G CA 0.853 45.859 45.100 -0.158 0.000 0.999 30 G HN 1.079 nan 8.290 nan 0.000 0.548 31 A N 0.142 122.978 122.820 0.026 0.000 2.379 31 A HA 0.475 4.781 4.320 -0.024 0.000 0.236 31 A C 1.294 178.894 177.584 0.026 0.000 1.272 31 A CA 0.554 52.635 52.037 0.074 0.000 0.886 31 A CB -0.047 18.994 19.000 0.070 0.000 0.962 31 A HN 0.550 nan 8.150 nan 0.000 0.504 32 R N 1.539 122.020 120.500 -0.032 0.000 2.522 32 R HA 0.182 4.507 4.340 -0.024 0.000 0.284 32 R C -2.397 173.869 176.300 -0.058 0.000 1.032 32 R CA -1.078 54.985 56.100 -0.062 0.000 1.049 32 R CB 0.299 30.535 30.300 -0.107 0.000 0.956 32 R HN 0.314 nan 8.270 nan 0.000 0.422 33 P HA 0.076 nan 4.420 nan 0.000 0.279 33 P C -0.577 176.557 177.300 -0.276 0.000 1.276 33 P CA -0.154 62.860 63.100 -0.142 0.000 0.801 33 P CB 0.891 32.512 31.700 -0.132 0.000 1.127 34 A N -1.037 121.467 122.820 -0.526 0.000 2.869 34 A HA -0.092 4.214 4.320 -0.024 0.000 0.280 34 A C 0.438 177.583 177.584 -0.731 0.000 1.458 34 A CA 1.219 52.546 52.037 -1.182 0.000 0.776 34 A CB -2.902 15.666 19.000 -0.719 0.000 1.028 34 A HN 0.815 nan 8.150 nan 0.000 0.547 35 T N -2.414 111.967 114.554 -0.289 0.000 2.887 35 T HA 0.805 5.141 4.350 -0.024 0.000 0.288 35 T C -0.704 174.234 174.700 0.396 0.000 1.021 35 T CA -0.283 61.871 62.100 0.091 0.000 1.000 35 T CB 2.113 71.040 68.868 0.098 0.000 1.034 35 T HN 1.755 nan 8.240 nan 0.000 0.467 36 L N 2.085 123.597 121.223 0.482 0.000 2.482 36 L HA 0.800 5.126 4.340 -0.024 0.000 0.263 36 L C -2.194 174.889 176.870 0.356 0.000 0.957 36 L CA -0.959 54.124 54.840 0.405 0.000 0.836 36 L CB 2.201 44.478 42.059 0.363 0.000 1.324 36 L HN 0.836 nan 8.230 nan 0.000 0.406 37 L N 5.595 126.949 121.223 0.218 0.000 2.342 37 L HA 0.658 4.984 4.340 -0.024 0.000 0.276 37 L C -1.840 175.156 176.870 0.210 0.000 0.997 37 L CA -0.181 54.768 54.840 0.182 0.000 0.838 37 L CB 1.297 43.365 42.059 0.015 0.000 1.224 37 L HN 0.575 nan 8.230 nan 0.000 0.416 38 L N 5.185 126.546 121.223 0.230 0.000 2.305 38 L HA 0.608 4.933 4.340 -0.024 0.000 0.284 38 L C -0.363 176.670 176.870 0.271 0.000 1.013 38 L CA -0.452 54.562 54.840 0.290 0.000 0.819 38 L CB 1.641 43.865 42.059 0.275 0.000 1.227 38 L HN 0.598 nan 8.230 nan 0.000 0.417 39 E N 1.991 122.383 120.200 0.319 0.000 2.288 39 E HA 0.593 4.928 4.350 -0.024 0.000 0.268 39 E C -1.092 175.643 176.600 0.225 0.000 0.885 39 E CA -0.738 55.822 56.400 0.266 0.000 0.767 39 E CB 2.616 32.474 29.700 0.264 0.000 1.220 39 E HN 0.584 nan 8.360 nan 0.000 0.427 40 S N 0.210 116.002 115.700 0.153 0.000 2.568 40 S HA 0.914 5.370 4.470 -0.024 0.000 0.293 40 S C -0.772 173.857 174.600 0.048 0.000 1.089 40 S CA -0.815 57.410 58.200 0.040 0.000 0.945 40 S CB 2.028 65.222 63.200 -0.009 0.000 1.077 40 S HN 0.647 nan 8.310 nan 0.000 0.485 41 A N 0.926 123.743 122.820 -0.005 0.000 2.587 41 A HA 0.718 5.023 4.320 -0.024 0.000 0.293 41 A C -0.878 176.702 177.584 -0.007 0.000 1.087 41 A CA -0.861 51.186 52.037 0.016 0.000 0.692 41 A CB 1.015 20.036 19.000 0.034 0.000 1.291 41 A HN 0.861 nan 8.150 nan 0.000 0.407 42 E N 0.702 120.906 120.200 0.006 0.000 2.360 42 E HA 0.180 4.515 4.350 -0.024 0.000 0.269 42 E C 0.635 177.242 176.600 0.011 0.000 1.022 42 E CA -0.157 56.246 56.400 0.004 0.000 0.887 42 E CB 0.699 30.404 29.700 0.010 0.000 0.990 42 E HN 0.549 nan 8.360 nan 0.000 0.426 43 I N 2.979 123.561 120.570 0.019 0.000 2.208 43 I HA -0.315 3.841 4.170 -0.024 0.000 0.245 43 I C 1.484 177.605 176.117 0.007 0.000 1.097 43 I CA 0.980 62.306 61.300 0.044 0.000 1.363 43 I CB -0.175 37.873 38.000 0.080 0.000 1.051 43 I HN 0.517 nan 8.210 nan 0.000 0.413 44 N N 0.980 119.683 118.700 0.006 0.000 2.278 44 N HA -0.115 4.611 4.740 -0.024 0.000 0.181 44 N C 1.262 176.750 175.510 -0.036 0.000 1.023 44 N CA 1.609 54.649 53.050 -0.018 0.000 0.862 44 N CB -0.437 38.052 38.487 0.003 0.000 1.003 44 N HN 0.521 nan 8.380 nan 0.000 0.431 45 D N 0.002 120.390 120.400 -0.020 0.000 2.348 45 D HA 0.067 4.693 4.640 -0.024 0.000 0.211 45 D C 0.216 176.500 176.300 -0.026 0.000 0.998 45 D CA 0.205 54.191 54.000 -0.024 0.000 0.873 45 D CB 0.231 41.024 40.800 -0.012 0.000 0.925 45 D HN -0.179 nan 8.370 nan 0.000 0.524 46 K N -0.832 119.556 120.400 -0.020 0.000 3.500 46 K HA -0.223 4.082 4.320 -0.024 0.000 0.313 46 K C -0.355 176.241 176.600 -0.005 0.000 1.338 46 K CA 0.554 56.834 56.287 -0.011 0.000 0.963 46 K CB -2.309 30.175 32.500 -0.027 0.000 1.267 46 K HN 0.498 nan 8.250 nan 0.000 0.448 47 Q N 1.035 120.834 119.800 -0.002 0.000 2.337 47 Q HA 0.115 4.441 4.340 -0.024 0.000 0.270 47 Q C 0.025 176.037 176.000 0.019 0.000 1.002 47 Q CA 0.127 55.932 55.803 0.004 0.000 0.888 47 Q CB 0.378 29.122 28.738 0.010 0.000 1.222 47 Q HN 0.201 nan 8.270 nan 0.000 0.400 48 N N 1.848 120.556 118.700 0.014 0.000 2.454 48 N HA -0.002 4.724 4.740 -0.024 0.000 0.254 48 N C 0.193 175.786 175.510 0.138 0.000 1.228 48 N CA -0.008 53.067 53.050 0.041 0.000 0.900 48 N CB 0.741 39.174 38.487 -0.090 0.000 1.089 48 N HN 0.444 nan 8.380 nan 0.000 0.449 49 L N 0.357 121.691 121.223 0.185 0.000 2.783 49 L HA 0.232 4.558 4.340 -0.024 0.000 0.174 49 L C 0.440 177.437 176.870 0.212 0.000 1.235 49 L CA 0.161 55.098 54.840 0.162 0.000 0.862 49 L CB 0.117 42.225 42.059 0.081 0.000 1.249 49 L HN 0.558 nan 8.230 nan 0.000 0.518 50 Q N -0.323 119.600 119.800 0.205 0.000 2.421 50 Q HA 0.476 4.801 4.340 -0.024 0.000 0.280 50 Q C -1.695 174.424 176.000 0.199 0.000 1.085 50 Q CA -0.456 55.415 55.803 0.113 0.000 0.807 50 Q CB 2.666 31.436 28.738 0.054 0.000 1.405 50 Q HN 0.075 nan 8.270 nan 0.000 0.419 51 S N 2.348 118.128 115.700 0.133 0.000 2.561 51 S HA 0.542 4.997 4.470 -0.024 0.000 0.303 51 S C -1.469 173.190 174.600 0.098 0.000 1.110 51 S CA -0.563 57.762 58.200 0.208 0.000 1.034 51 S CB 0.911 64.317 63.200 0.343 0.000 1.010 51 S HN 0.460 nan 8.310 nan 0.000 0.482 52 L N 3.529 124.808 121.223 0.094 0.000 2.296 52 L HA 0.590 4.915 4.340 -0.024 0.000 0.286 52 L C -0.745 176.183 176.870 0.097 0.000 1.023 52 L CA -0.453 54.410 54.840 0.038 0.000 0.812 52 L CB 1.149 43.168 42.059 -0.066 0.000 1.223 52 L HN 0.501 nan 8.230 nan 0.000 0.421 53 L N 5.103 126.383 121.223 0.096 0.000 2.316 53 L HA 0.526 4.852 4.340 -0.024 0.000 0.280 53 L C -0.691 176.252 176.870 0.122 0.000 1.006 53 L CA -0.402 54.533 54.840 0.158 0.000 0.836 53 L CB 1.725 43.883 42.059 0.165 0.000 1.221 53 L HN 0.276 nan 8.230 nan 0.000 0.418 54 V N 7.536 127.546 119.914 0.161 0.000 2.356 54 V HA 0.185 4.291 4.120 -0.024 0.000 0.258 54 V C 1.450 177.606 176.094 0.104 0.000 1.065 54 V CA 0.063 62.438 62.300 0.125 0.000 0.935 54 V CB 0.515 32.440 31.823 0.170 0.000 1.061 54 V HN 0.773 nan 8.190 nan 0.000 0.484 55 I N 1.925 122.519 120.570 0.040 0.000 2.277 55 I HA 0.055 4.210 4.170 -0.024 0.000 0.243 55 I C 0.335 176.420 176.117 -0.053 0.000 1.094 55 I CA 1.107 62.391 61.300 -0.027 0.000 1.393 55 I CB 0.201 38.179 38.000 -0.037 0.000 1.078 55 I HN 0.522 nan 8.210 nan 0.000 0.417 56 D N 0.457 120.841 120.400 -0.026 0.000 2.646 56 D HA 0.378 5.003 4.640 -0.024 0.000 0.245 56 D C -0.918 175.377 176.300 -0.008 0.000 1.099 56 D CA -0.123 53.857 54.000 -0.033 0.000 0.849 56 D CB 2.252 43.040 40.800 -0.020 0.000 1.448 56 D HN -0.125 nan 8.370 nan 0.000 0.489 57 S N 0.239 115.918 115.700 -0.035 0.000 2.549 57 S HA 0.549 5.004 4.470 -0.024 0.000 0.297 57 S C 0.878 175.490 174.600 0.019 0.000 1.115 57 S CA -0.624 57.576 58.200 0.001 0.000 1.059 57 S CB 2.021 65.185 63.200 -0.060 0.000 1.046 57 S HN 0.544 nan 8.310 nan 0.000 0.506 58 A N 2.144 125.000 122.820 0.059 0.000 2.030 58 A HA 0.463 4.768 4.320 -0.024 0.000 0.215 58 A C 0.325 177.911 177.584 0.004 0.000 1.164 58 A CA 0.666 52.731 52.037 0.048 0.000 0.697 58 A CB -0.130 18.921 19.000 0.085 0.000 0.827 58 A HN 0.677 nan 8.150 nan 0.000 0.457 59 L N -1.714 119.517 121.223 0.013 0.000 2.518 59 L HA 0.488 4.813 4.340 -0.024 0.000 0.257 59 L C -0.465 176.464 176.870 0.098 0.000 0.980 59 L CA -0.834 54.022 54.840 0.026 0.000 0.837 59 L CB 2.264 44.318 42.059 -0.008 0.000 1.410 59 L HN 0.211 nan 8.230 nan 0.000 0.410 60 R N 1.618 122.187 120.500 0.114 0.000 2.494 60 R HA 0.807 5.132 4.340 -0.024 0.000 0.305 60 R C -1.729 174.682 176.300 0.185 0.000 0.959 60 R CA -0.480 55.745 56.100 0.210 0.000 0.864 60 R CB 1.412 31.810 30.300 0.165 0.000 1.159 60 R HN 0.551 nan 8.270 nan 0.000 0.446 61 I N 3.451 124.162 120.570 0.235 0.000 2.466 61 I HA 0.342 4.497 4.170 -0.024 0.000 0.289 61 I C -0.180 176.147 176.117 0.349 0.000 1.026 61 I CA -0.362 61.099 61.300 0.268 0.000 1.078 61 I CB 2.261 40.443 38.000 0.302 0.000 1.249 61 I HN 0.718 nan 8.210 nan 0.000 0.429 62 T N 2.266 116.962 114.554 0.237 0.000 2.916 62 T HA 0.982 5.318 4.350 -0.024 0.000 0.292 62 T C -0.702 173.864 174.700 -0.224 0.000 1.064 62 T CA -0.938 61.225 62.100 0.106 0.000 1.011 62 T CB 2.171 71.080 68.868 0.068 0.000 1.152 62 T HN 0.766 nan 8.240 nan 0.000 0.510 63 A N 0.931 123.392 122.820 -0.599 0.000 2.515 63 A HA 0.844 5.149 4.320 -0.024 0.000 0.298 63 A C -1.694 175.654 177.584 -0.393 0.000 1.059 63 A CA -0.850 50.754 52.037 -0.721 0.000 0.698 63 A CB 1.783 19.820 19.000 -1.606 0.000 1.289 63 A HN 1.173 nan 8.150 nan 0.000 0.404 64 L N 1.696 122.775 121.223 -0.239 0.000 2.580 64 L HA 0.656 4.981 4.340 -0.024 0.000 0.266 64 L C 0.619 177.417 176.870 -0.122 0.000 0.955 64 L CA 1.478 56.231 54.840 -0.144 0.000 0.886 64 L CB 1.249 43.259 42.059 -0.082 0.000 1.263 64 L HN 2.367 nan 8.230 nan 0.000 0.406 65 G N 3.644 112.357 108.800 -0.146 0.000 2.583 65 G HA2 -0.321 3.624 3.960 -0.024 0.000 0.292 65 G HA3 -0.321 3.624 3.960 -0.024 0.000 0.292 65 G C 0.618 175.384 174.900 -0.223 0.000 1.203 65 G CA 0.481 45.452 45.100 -0.215 0.000 0.987 65 G HN 0.809 nan 8.290 nan 0.000 0.554 66 H N 1.285 120.347 119.070 -0.013 0.000 2.539 66 H HA 0.264 4.815 4.556 -0.008 0.000 0.269 66 H C 0.705 176.109 175.328 0.127 0.000 0.980 66 H CA 1.230 57.307 56.048 0.050 0.000 1.152 66 H CB 0.012 29.808 29.762 0.056 0.000 1.407 66 H HN 0.326 nan 8.280 nan 0.000 0.564 67 T N 1.906 116.544 114.554 0.140 0.000 2.795 67 T HA 0.386 4.722 4.350 -0.024 0.000 0.282 67 T C 0.132 174.863 174.700 0.053 0.000 0.980 67 T CA -0.423 61.746 62.100 0.115 0.000 1.012 67 T CB 2.258 71.159 68.868 0.056 0.000 0.936 67 T HN -0.147 nan 8.240 nan 0.000 0.457 68 V N 2.903 122.901 119.914 0.141 0.000 2.448 68 V HA 0.547 4.653 4.120 -0.024 0.000 0.295 68 V C 0.059 176.217 176.094 0.105 0.000 1.025 68 V CA -0.753 61.606 62.300 0.098 0.000 0.859 68 V CB 1.932 33.919 31.823 0.273 0.000 0.988 68 V HN 0.890 nan 8.190 nan 0.000 0.431 69 S N 4.366 120.107 115.700 0.069 0.000 2.429 69 S HA 0.646 5.102 4.470 -0.024 0.000 0.302 69 S C -0.725 173.939 174.600 0.107 0.000 1.115 69 S CA -0.450 57.795 58.200 0.076 0.000 1.095 69 S CB 1.049 64.280 63.200 0.053 0.000 0.987 69 S HN 0.488 nan 8.310 nan 0.000 0.474 70 V N 6.710 126.681 119.914 0.096 0.000 2.334 70 V HA 0.427 4.532 4.120 -0.024 0.000 0.281 70 V C -0.459 175.673 176.094 0.063 0.000 1.016 70 V CA -0.616 61.740 62.300 0.093 0.000 0.832 70 V CB 1.283 33.157 31.823 0.084 0.000 0.999 70 V HN 0.863 nan 8.190 nan 0.000 0.439 71 Q N 3.490 123.327 119.800 0.063 0.000 2.348 71 Q HA 0.719 5.045 4.340 -0.024 0.000 0.265 71 Q C -0.172 175.846 176.000 0.029 0.000 0.998 71 Q CA -0.504 55.325 55.803 0.043 0.000 0.831 71 Q CB 2.318 31.083 28.738 0.045 0.000 1.251 71 Q HN 0.842 nan 8.270 nan 0.000 0.456 72 A N 3.449 126.279 122.820 0.017 0.000 2.409 72 A HA 0.305 4.611 4.320 -0.024 0.000 0.267 72 A C 0.407 177.995 177.584 0.007 0.000 1.127 72 A CA -0.268 51.774 52.037 0.007 0.000 0.795 72 A CB 0.107 19.110 19.000 0.005 0.000 1.061 72 A HN 0.948 nan 8.150 nan 0.000 0.502 73 L N 2.021 123.245 121.223 0.003 0.000 2.515 73 L HA 0.163 4.488 4.340 -0.024 0.000 0.223 73 L C 1.084 177.954 176.870 -0.000 0.000 1.079 73 L CA 0.804 55.641 54.840 -0.005 0.000 0.857 73 L CB -0.250 41.798 42.059 -0.019 0.000 1.050 73 L HN 0.854 nan 8.230 nan 0.000 0.476 74 T N -4.991 109.569 114.554 0.011 0.000 2.838 74 T HA 0.608 4.944 4.350 -0.024 0.000 0.292 74 T C 0.718 175.433 174.700 0.026 0.000 1.113 74 T CA -0.117 61.994 62.100 0.018 0.000 1.008 74 T CB 2.212 71.097 68.868 0.029 0.000 1.259 74 T HN -0.113 nan 8.240 nan 0.000 0.520 75 A N 0.658 123.495 122.820 0.028 0.000 2.067 75 A HA -0.014 4.292 4.320 -0.024 0.000 0.219 75 A C 2.109 179.722 177.584 0.048 0.000 1.158 75 A CA 1.844 53.900 52.037 0.031 0.000 0.661 75 A CB -1.305 17.711 19.000 0.027 0.000 0.801 75 A HN 0.871 nan 8.150 nan 0.000 0.452 76 N N 0.419 119.158 118.700 0.066 0.000 2.084 76 N HA -0.085 4.641 4.740 -0.024 0.000 0.190 76 N C 1.772 177.358 175.510 0.127 0.000 1.030 76 N CA 2.213 55.334 53.050 0.118 0.000 0.849 76 N CB -0.699 37.871 38.487 0.138 0.000 1.012 76 N HN 0.258 nan 8.380 nan 0.000 0.423 77 G N 0.080 108.922 108.800 0.070 0.000 2.402 77 G HA2 -0.109 3.836 3.960 -0.024 0.000 0.216 77 G HA3 -0.109 3.836 3.960 -0.024 0.000 0.216 77 G C -0.681 174.209 174.900 -0.016 0.000 1.162 77 G CA 0.442 45.538 45.100 -0.006 0.000 0.777 77 G HN 0.397 nan 8.290 nan 0.000 0.539 78 P HA -0.019 nan 4.420 nan 0.000 0.219 78 P C 2.067 179.376 177.300 0.016 0.000 1.146 78 P CA 1.562 64.668 63.100 0.011 0.000 0.808 78 P CB -0.059 31.651 31.700 0.017 0.000 0.779 79 A N -0.841 121.999 122.820 0.032 0.000 2.070 79 A HA -0.144 4.162 4.320 -0.024 0.000 0.220 79 A C 1.992 179.595 177.584 0.032 0.000 1.159 79 A CA 1.280 53.344 52.037 0.045 0.000 0.656 79 A CB -1.489 17.561 19.000 0.083 0.000 0.800 79 A HN 0.180 nan 8.150 nan 0.000 0.453 80 L N -0.683 120.538 121.223 -0.004 0.000 2.418 80 L HA -0.010 4.315 4.340 -0.024 0.000 0.218 80 L C 2.191 179.052 176.870 -0.015 0.000 1.125 80 L CA 0.128 54.948 54.840 -0.033 0.000 0.835 80 L CB -0.352 41.621 42.059 -0.143 0.000 0.953 80 L HN 0.368 nan 8.230 nan 0.000 0.454 81 L N 0.143 121.363 121.223 -0.006 0.000 2.012 81 L HA -0.157 4.169 4.340 -0.024 0.000 0.210 81 L C -0.150 176.726 176.870 0.010 0.000 1.073 81 L CA 1.534 56.377 54.840 0.004 0.000 0.748 81 L CB -1.990 40.073 42.059 0.007 0.000 0.891 81 L HN 0.222 nan 8.230 nan 0.000 0.431 82 P HA -0.148 nan 4.420 nan 0.000 0.217 82 P C 1.968 179.279 177.300 0.019 0.000 1.150 82 P CA 1.275 64.384 63.100 0.016 0.000 0.832 82 P CB 0.075 31.785 31.700 0.018 0.000 0.787 83 L N -1.362 119.874 121.223 0.022 0.000 2.056 83 L HA -0.142 4.183 4.340 -0.024 0.000 0.207 83 L C 2.500 179.386 176.870 0.026 0.000 1.078 83 L CA 1.143 55.999 54.840 0.027 0.000 0.749 83 L CB -0.969 41.109 42.059 0.032 0.000 0.901 83 L HN 0.014 nan 8.230 nan 0.000 0.433 84 L N -0.028 121.208 121.223 0.022 0.000 2.017 84 L HA -0.257 4.068 4.340 -0.024 0.000 0.208 84 L C 2.258 179.145 176.870 0.027 0.000 1.073 84 L CA 1.767 56.625 54.840 0.029 0.000 0.745 84 L CB -0.492 41.583 42.059 0.028 0.000 0.894 84 L HN 0.356 nan 8.230 nan 0.000 0.432 85 D N -0.077 120.333 120.400 0.018 0.000 2.116 85 D HA -0.216 4.410 4.640 -0.024 0.000 0.193 85 D C 2.076 178.383 176.300 0.012 0.000 0.998 85 D CA 1.279 55.285 54.000 0.010 0.000 0.836 85 D CB -0.092 40.712 40.800 0.007 0.000 0.951 85 D HN 0.368 nan 8.370 nan 0.000 0.449 86 E N 0.245 120.455 120.200 0.017 0.000 2.208 86 E HA -0.002 4.333 4.350 -0.024 0.000 0.193 86 E C 1.960 178.575 176.600 0.025 0.000 0.988 86 E CA 0.579 56.990 56.400 0.019 0.000 0.828 86 E CB -0.127 29.586 29.700 0.021 0.000 0.763 86 E HN 0.245 nan 8.360 nan 0.000 0.478 87 A N 0.847 123.686 122.820 0.032 0.000 2.021 87 A HA 0.081 4.387 4.320 -0.024 0.000 0.216 87 A C 1.382 178.996 177.584 0.049 0.000 1.163 87 A CA 0.036 52.098 52.037 0.042 0.000 0.676 87 A CB -0.208 18.822 19.000 0.050 0.000 0.818 87 A HN 0.098 nan 8.150 nan 0.000 0.453 88 L N 1.609 122.859 121.223 0.045 0.000 2.439 88 L HA 0.213 4.539 4.340 -0.024 0.000 0.269 88 L C -1.864 175.023 176.870 0.028 0.000 1.179 88 L CA -1.719 53.150 54.840 0.048 0.000 0.828 88 L CB 0.240 42.310 42.059 0.018 0.000 1.106 88 L HN 0.191 nan 8.230 nan 0.000 0.467 89 P HA 0.156 nan 4.420 nan 0.000 0.276 89 P C -2.216 175.078 177.300 -0.011 0.000 1.244 89 P CA -1.559 61.555 63.100 0.023 0.000 0.801 89 P CB 0.185 31.912 31.700 0.044 0.000 1.006 90 P HA -0.140 nan 4.420 nan 0.000 0.222 90 P C 0.872 178.146 177.300 -0.045 0.000 1.147 90 P CA 1.329 64.413 63.100 -0.027 0.000 0.790 90 P CB 0.184 31.875 31.700 -0.015 0.000 0.780 91 E N -0.236 119.942 120.200 -0.036 0.000 2.333 91 E HA -0.034 4.301 4.350 -0.024 0.000 0.198 91 E C 0.563 177.100 176.600 -0.106 0.000 1.007 91 E CA 0.379 56.751 56.400 -0.047 0.000 0.845 91 E CB -0.628 29.065 29.700 -0.012 0.000 0.766 91 E HN 0.140 nan 8.360 nan 0.000 0.507 92 V N 2.130 121.948 119.914 -0.160 0.000 2.408 92 V HA 0.109 4.214 4.120 -0.024 0.000 0.267 92 V C 0.496 176.439 176.094 -0.253 0.000 1.047 92 V CA -0.563 61.530 62.300 -0.344 0.000 0.937 92 V CB 1.013 32.526 31.823 -0.516 0.000 0.999 92 V HN 0.104 nan 8.190 nan 0.000 0.472 93 R N 4.687 125.047 120.500 -0.232 0.000 2.449 93 R HA 0.128 4.454 4.340 -0.024 0.000 0.296 93 R C -0.073 176.140 176.300 -0.145 0.000 1.047 93 R CA 0.090 56.103 56.100 -0.146 0.000 1.018 93 R CB 0.186 30.420 30.300 -0.110 0.000 0.962 93 R HN 0.852 nan 8.270 nan 0.000 0.428 94 N N 3.465 122.108 118.700 -0.095 0.000 2.524 94 N HA 0.101 4.826 4.740 -0.024 0.000 0.261 94 N C -1.447 174.039 175.510 -0.040 0.000 0.998 94 N CA -0.465 52.544 53.050 -0.069 0.000 0.915 94 N CB 1.073 39.525 38.487 -0.057 0.000 1.187 94 N HN 0.539 nan 8.380 nan 0.000 0.507 95 Q N 2.298 122.081 119.800 -0.029 0.000 2.394 95 Q HA 0.425 4.751 4.340 -0.024 0.000 0.259 95 Q C -0.717 175.279 176.000 -0.006 0.000 1.021 95 Q CA -0.737 55.057 55.803 -0.016 0.000 0.805 95 Q CB 1.867 30.597 28.738 -0.013 0.000 1.226 95 Q HN 0.565 nan 8.270 nan 0.000 0.476 96 A N 3.627 126.444 122.820 -0.004 0.000 2.388 96 A HA 0.561 4.866 4.320 -0.024 0.000 0.257 96 A C 0.036 177.623 177.584 0.004 0.000 1.095 96 A CA -0.295 51.744 52.037 0.002 0.000 0.791 96 A CB 0.389 19.390 19.000 0.002 0.000 1.029 96 A HN 0.858 nan 8.150 nan 0.000 0.489 97 R N 1.185 121.690 120.500 0.008 0.000 2.922 97 R HA 0.703 5.029 4.340 -0.024 0.000 0.256 97 R C -3.168 173.137 176.300 0.009 0.000 1.138 97 R CA -1.988 54.117 56.100 0.008 0.000 0.995 97 R CB 0.045 30.351 30.300 0.010 0.000 1.226 97 R HN 0.334 nan 8.270 nan 0.000 0.481 98 P HA 0.183 nan 4.420 nan 0.000 0.271 98 P C -1.012 176.294 177.300 0.010 0.000 1.220 98 P CA 0.190 63.295 63.100 0.009 0.000 0.768 98 P CB 0.267 31.971 31.700 0.008 0.000 0.848 99 N N 0.299 119.006 118.700 0.010 0.000 2.714 99 N HA -0.159 4.566 4.740 -0.024 0.000 0.250 99 N C 0.307 175.826 175.510 0.014 0.000 1.117 99 N CA 1.116 54.173 53.050 0.011 0.000 0.719 99 N CB -1.162 37.331 38.487 0.010 0.000 1.081 99 N HN 0.713 nan 8.380 nan 0.000 0.557 100 G N -1.217 107.592 108.800 0.016 0.000 2.550 100 G HA2 0.719 4.665 3.960 -0.024 0.000 0.293 100 G HA3 0.719 4.665 3.960 -0.024 0.000 0.293 100 G C -1.761 173.152 174.900 0.021 0.000 1.402 100 G CA -0.856 44.257 45.100 0.021 0.000 0.784 100 G HN 0.044 nan 8.290 nan 0.000 0.482 101 R N 0.305 120.822 120.500 0.028 0.000 2.584 101 R HA 0.471 4.797 4.340 -0.024 0.000 0.276 101 R C -1.531 174.790 176.300 0.034 0.000 1.046 101 R CA -0.808 55.307 56.100 0.025 0.000 0.906 101 R CB 2.265 32.581 30.300 0.027 0.000 1.215 101 R HN 0.545 nan 8.270 nan 0.000 0.449 102 E N 3.642 123.855 120.200 0.022 0.000 2.114 102 E HA 0.386 4.721 4.350 -0.024 0.000 0.266 102 E C -0.319 176.285 176.600 0.008 0.000 0.896 102 E CA -0.519 55.897 56.400 0.026 0.000 0.750 102 E CB 1.696 31.407 29.700 0.018 0.000 1.121 102 E HN 0.373 nan 8.360 nan 0.000 0.413 103 L N 1.872 123.112 121.223 0.028 0.000 2.309 103 L HA 0.512 4.837 4.340 -0.024 0.000 0.282 103 L C 0.247 177.090 176.870 -0.045 0.000 1.036 103 L CA -0.612 54.194 54.840 -0.056 0.000 0.806 103 L CB 1.438 43.481 42.059 -0.027 0.000 1.220 103 L HN 0.193 nan 8.230 nan 0.000 0.429 104 T N 2.484 116.937 114.554 -0.168 0.000 2.791 104 T HA 0.525 4.860 4.350 -0.024 0.000 0.288 104 T C -0.487 174.084 174.700 -0.214 0.000 0.999 104 T CA -0.330 61.733 62.100 -0.061 0.000 0.952 104 T CB 0.557 69.404 68.868 -0.034 0.000 0.938 104 T HN 0.081 nan 8.240 nan 0.000 0.444 105 F N 5.173 125.137 119.950 0.024 0.000 2.385 105 F HA 0.424 4.933 4.527 -0.029 0.000 0.336 105 F C -1.404 174.327 175.800 -0.115 0.000 1.100 105 F CA -2.204 55.799 58.000 0.005 0.000 1.116 105 F CB 0.718 39.764 39.000 0.076 0.000 1.166 105 F HN 0.323 nan 8.300 nan 0.000 0.511 106 P HA 0.189 nan 4.420 nan 0.000 0.274 106 P C -1.093 176.089 177.300 -0.196 0.000 1.246 106 P CA -0.456 62.572 63.100 -0.120 0.000 0.795 106 P CB 0.764 32.432 31.700 -0.054 0.000 1.006 107 A N 2.534 125.193 122.820 -0.268 0.000 2.488 107 A HA 0.230 4.535 4.320 -0.024 0.000 0.249 107 A C 0.779 178.322 177.584 -0.069 0.000 1.083 107 A CA -0.399 51.511 52.037 -0.210 0.000 0.768 107 A CB -0.799 18.113 19.000 -0.147 0.000 1.017 107 A HN 0.470 nan 8.150 nan 0.000 0.496 108 I N 2.260 122.814 120.570 -0.026 0.000 2.556 108 I HA -0.017 4.139 4.170 -0.024 0.000 0.284 108 I C 0.442 176.558 176.117 -0.002 0.000 1.114 108 I CA -0.149 61.153 61.300 0.003 0.000 1.418 108 I CB 0.515 38.521 38.000 0.009 0.000 1.394 108 I HN 0.645 nan 8.210 nan 0.000 0.552 109 D N 5.542 125.945 120.400 0.005 0.000 2.434 109 D HA 0.080 4.706 4.640 -0.024 0.000 0.252 109 D C 0.751 177.053 176.300 0.003 0.000 1.185 109 D CA 0.158 54.158 54.000 0.001 0.000 0.886 109 D CB 1.466 42.268 40.800 0.004 0.000 1.148 109 D HN 0.633 nan 8.370 nan 0.000 0.483 110 A N 3.632 126.451 122.820 -0.001 0.000 2.016 110 A HA -0.004 4.301 4.320 -0.024 0.000 0.217 110 A C 1.319 178.902 177.584 -0.001 0.000 1.162 110 A CA 0.259 52.295 52.037 -0.001 0.000 0.662 110 A CB 0.134 19.131 19.000 -0.004 0.000 0.812 110 A HN 0.455 nan 8.150 nan 0.000 0.450 111 V N 1.951 121.864 119.914 -0.002 0.000 1.973 111 V HA 0.149 4.255 4.120 -0.024 0.000 0.255 111 V C -0.161 175.931 176.094 -0.003 0.000 1.605 111 V CA 0.299 62.597 62.300 -0.003 0.000 1.542 111 V CB -1.501 30.320 31.823 -0.004 0.000 1.504 111 V HN 0.581 nan 8.190 nan 0.000 0.505 112 Q N 0.912 120.711 119.800 -0.002 0.000 2.511 112 Q HA 0.404 4.730 4.340 -0.024 0.000 0.289 112 Q C -1.033 174.964 176.000 -0.006 0.000 1.021 112 Q CA -1.087 54.714 55.803 -0.003 0.000 0.785 112 Q CB 2.362 31.100 28.738 0.000 0.000 1.472 112 Q HN 0.665 nan 8.270 nan 0.000 0.411 113 D N -0.361 120.033 120.400 -0.010 0.000 2.358 113 D HA 0.008 4.634 4.640 -0.024 0.000 0.244 113 D C 0.527 176.817 176.300 -0.016 0.000 1.163 113 D CA -0.361 53.631 54.000 -0.014 0.000 0.945 113 D CB 0.835 41.625 40.800 -0.017 0.000 1.152 113 D HN 0.323 nan 8.370 nan 0.000 0.451 114 E N 0.317 120.504 120.200 -0.021 0.000 2.118 114 E HA -0.170 4.165 4.350 -0.024 0.000 0.195 114 E C 1.236 177.814 176.600 -0.036 0.000 0.992 114 E CA 1.047 57.432 56.400 -0.025 0.000 0.804 114 E CB -0.193 29.488 29.700 -0.030 0.000 0.741 114 E HN 0.558 nan 8.360 nan 0.000 0.458 115 D N 0.315 120.689 120.400 -0.044 0.000 2.178 115 D HA -0.068 4.558 4.640 -0.024 0.000 0.202 115 D C 1.792 178.057 176.300 -0.059 0.000 0.974 115 D CA 1.123 55.085 54.000 -0.062 0.000 0.841 115 D CB 0.024 40.786 40.800 -0.063 0.000 0.953 115 D HN 0.127 nan 8.370 nan 0.000 0.478 116 A N 1.088 123.886 122.820 -0.037 0.000 1.929 116 A HA -0.119 4.186 4.320 -0.024 0.000 0.216 116 A C 2.198 179.776 177.584 -0.009 0.000 1.176 116 A CA 0.704 52.725 52.037 -0.025 0.000 0.628 116 A CB -0.251 18.740 19.000 -0.015 0.000 0.816 116 A HN 0.016 nan 8.150 nan 0.000 0.444 117 R N -0.895 119.603 120.500 -0.003 0.000 2.083 117 R HA -0.151 4.174 4.340 -0.024 0.000 0.237 117 R C 2.106 178.429 176.300 0.037 0.000 1.137 117 R CA 1.733 57.845 56.100 0.020 0.000 0.951 117 R CB -0.658 29.652 30.300 0.017 0.000 0.851 117 R HN 0.520 nan 8.270 nan 0.000 0.434 118 L N 0.927 122.151 121.223 0.002 0.000 2.131 118 L HA -0.123 4.202 4.340 -0.024 0.000 0.210 118 L C 1.957 178.838 176.870 0.018 0.000 1.092 118 L CA 1.763 56.599 54.840 -0.006 0.000 0.759 118 L CB -0.257 41.754 42.059 -0.080 0.000 0.903 118 L HN -0.106 nan 8.230 nan 0.000 0.435 119 R N -0.315 120.170 120.500 -0.025 0.000 2.323 119 R HA 0.181 4.506 4.340 -0.024 0.000 0.198 119 R C 0.591 176.939 176.300 0.080 0.000 0.988 119 R CA 0.185 56.279 56.100 -0.010 0.000 1.041 119 R CB -0.353 29.904 30.300 -0.072 0.000 0.926 119 R HN 0.368 nan 8.270 nan 0.000 0.476 120 S N 0.348 116.102 115.700 0.090 0.000 2.585 120 S HA 0.099 4.554 4.470 -0.024 0.000 0.273 120 S C -0.382 174.312 174.600 0.155 0.000 1.339 120 S CA -0.689 57.575 58.200 0.106 0.000 1.028 120 S CB 0.698 63.948 63.200 0.084 0.000 0.906 120 S HN 0.152 nan 8.310 nan 0.000 0.528 121 L N 3.439 124.755 121.223 0.155 0.000 2.578 121 L HA 0.201 4.527 4.340 -0.024 0.000 0.279 121 L C 0.310 177.319 176.870 0.231 0.000 1.227 121 L CA 0.993 55.958 54.840 0.208 0.000 0.900 121 L CB -0.414 41.777 42.059 0.219 0.000 1.144 121 L HN 0.824 nan 8.230 nan 0.000 0.496 122 S N 2.452 118.278 115.700 0.210 0.000 2.671 122 S HA 0.426 4.882 4.470 -0.024 0.000 0.277 122 S C 0.829 175.230 174.600 -0.331 0.000 1.165 122 S CA -0.331 57.965 58.200 0.159 0.000 0.822 122 S CB 0.820 64.330 63.200 0.517 0.000 1.150 122 S HN 0.989 nan 8.310 nan 0.000 0.479 123 V N -1.132 118.557 119.914 -0.376 0.000 2.660 123 V HA -0.034 4.071 4.120 -0.024 0.000 0.257 123 V C 1.792 177.671 176.094 -0.359 0.000 1.088 123 V CA 1.637 63.484 62.300 -0.755 0.000 1.106 123 V CB -1.678 29.973 31.823 -0.286 0.000 0.686 123 V HN 0.734 nan 8.190 nan 0.000 0.481 124 F N 1.212 121.118 119.950 -0.073 0.000 2.293 124 F HA -0.046 4.467 4.527 -0.023 0.000 0.300 124 F C 2.341 178.060 175.800 -0.134 0.000 1.086 124 F CA 1.771 59.722 58.000 -0.080 0.000 1.375 124 F CB -0.556 38.344 39.000 -0.165 0.000 1.045 124 F HN 0.203 nan 8.300 nan 0.000 0.516 125 D N 0.166 120.570 120.400 0.007 0.000 2.263 125 D HA -0.141 4.485 4.640 -0.024 0.000 0.208 125 D C 2.284 178.658 176.300 0.122 0.000 0.971 125 D CA 1.091 55.132 54.000 0.068 0.000 0.867 125 D CB -0.114 40.788 40.800 0.170 0.000 0.929 125 D HN 0.318 nan 8.370 nan 0.000 0.492 126 A N 0.861 123.727 122.820 0.077 0.000 1.873 126 A HA -0.117 4.189 4.320 -0.024 0.000 0.215 126 A C 2.359 180.024 177.584 0.135 0.000 1.186 126 A CA 0.788 52.964 52.037 0.231 0.000 0.616 126 A CB -0.630 18.557 19.000 0.312 0.000 0.823 126 A HN 0.176 nan 8.150 nan 0.000 0.442 127 L N -1.136 120.125 121.223 0.062 0.000 2.093 127 L HA -0.110 4.215 4.340 -0.024 0.000 0.208 127 L C 2.723 179.640 176.870 0.078 0.000 1.085 127 L CA 1.591 56.449 54.840 0.030 0.000 0.755 127 L CB -0.502 41.500 42.059 -0.095 0.000 0.904 127 L HN 0.447 nan 8.230 nan 0.000 0.435 128 R N -0.002 120.525 120.500 0.046 0.000 2.073 128 R HA -0.155 4.170 4.340 -0.024 0.000 0.234 128 R C 2.210 178.549 176.300 0.065 0.000 1.134 128 R CA 2.045 58.166 56.100 0.034 0.000 0.952 128 R CB -0.287 30.004 30.300 -0.015 0.000 0.850 128 R HN 0.208 nan 8.270 nan 0.000 0.433 129 T N 1.056 115.660 114.554 0.083 0.000 2.821 129 T HA -0.047 4.288 4.350 -0.024 0.000 0.267 129 T C 1.796 176.537 174.700 0.069 0.000 1.046 129 T CA 1.295 63.447 62.100 0.086 0.000 1.139 129 T CB -0.095 68.842 68.868 0.115 0.000 0.871 129 T HN 0.197 nan 8.240 nan 0.000 0.454 130 I N 0.856 121.463 120.570 0.062 0.000 2.208 130 I HA -0.174 3.981 4.170 -0.024 0.000 0.245 130 I C 2.177 178.308 176.117 0.022 0.000 1.097 130 I CA 1.222 62.535 61.300 0.022 0.000 1.363 130 I CB -0.311 37.690 38.000 0.002 0.000 1.051 130 I HN 0.235 nan 8.210 nan 0.000 0.413 131 L N 0.093 121.350 121.223 0.057 0.000 2.079 131 L HA -0.198 4.127 4.340 -0.024 0.000 0.210 131 L C 2.132 179.056 176.870 0.091 0.000 1.081 131 L CA 1.931 56.818 54.840 0.078 0.000 0.752 131 L CB -0.763 41.362 42.059 0.110 0.000 0.896 131 L HN 0.437 nan 8.230 nan 0.000 0.433 132 T N -4.295 110.307 114.554 0.080 0.000 3.176 132 T HA 0.230 4.566 4.350 -0.024 0.000 0.263 132 T C 1.481 176.228 174.700 0.078 0.000 1.021 132 T CA -0.282 61.867 62.100 0.082 0.000 0.905 132 T CB 0.020 68.931 68.868 0.072 0.000 1.057 132 T HN 0.115 nan 8.240 nan 0.000 0.558 133 L N 0.454 121.722 121.223 0.074 0.000 2.131 133 L HA 0.125 4.451 4.340 -0.024 0.000 0.210 133 L C 0.850 177.775 176.870 0.091 0.000 1.092 133 L CA 0.733 55.613 54.840 0.067 0.000 0.759 133 L CB -0.147 41.935 42.059 0.039 0.000 0.903 133 L HN 0.261 nan 8.230 nan 0.000 0.435 134 V N -0.888 119.105 119.914 0.131 0.000 2.864 134 V HA 0.265 4.370 4.120 -0.024 0.000 0.314 134 V C -0.624 175.537 176.094 0.111 0.000 1.073 134 V CA -0.945 61.441 62.300 0.143 0.000 0.956 134 V CB 2.437 34.413 31.823 0.256 0.000 1.023 134 V HN -0.042 nan 8.190 nan 0.000 0.435 135 D N 1.978 122.424 120.400 0.077 0.000 2.304 135 D HA 0.580 5.206 4.640 -0.024 0.000 0.247 135 D C -0.187 176.141 176.300 0.047 0.000 1.089 135 D CA 0.310 54.345 54.000 0.058 0.000 0.910 135 D CB 1.796 42.621 40.800 0.042 0.000 1.199 135 D HN 0.724 nan 8.370 nan 0.000 0.426 136 S N 0.523 116.248 115.700 0.042 0.000 2.618 136 S HA 0.695 5.150 4.470 -0.024 0.000 0.277 136 S C -2.944 171.669 174.600 0.022 0.000 1.138 136 S CA -1.387 56.827 58.200 0.022 0.000 0.844 136 S CB 1.397 64.616 63.200 0.033 0.000 1.127 136 S HN 0.042 nan 8.310 nan 0.000 0.474 137 P HA 0.358 nan 4.420 nan 0.000 0.267 137 P C 0.604 177.918 177.300 0.023 0.000 1.209 137 P CA -0.314 62.793 63.100 0.013 0.000 0.763 137 P CB 0.500 32.201 31.700 0.002 0.000 0.816 138 A N 3.371 126.207 122.820 0.026 0.000 2.067 138 A HA -0.140 4.166 4.320 -0.024 0.000 0.219 138 A C 1.384 178.986 177.584 0.030 0.000 1.158 138 A CA 1.494 53.550 52.037 0.033 0.000 0.661 138 A CB -0.638 18.380 19.000 0.031 0.000 0.801 138 A HN 0.630 nan 8.150 nan 0.000 0.452 139 D N -0.620 119.793 120.400 0.022 0.000 2.368 139 D HA 0.041 4.666 4.640 -0.024 0.000 0.218 139 D C -0.364 175.947 176.300 0.019 0.000 1.112 139 D CA 0.048 54.060 54.000 0.019 0.000 0.834 139 D CB 0.007 40.815 40.800 0.014 0.000 0.953 139 D HN 0.223 nan 8.370 nan 0.000 0.505 140 E N 1.172 121.385 120.200 0.022 0.000 2.256 140 E HA 0.166 4.502 4.350 -0.024 0.000 0.243 140 E C 0.775 177.396 176.600 0.034 0.000 0.925 140 E CA -0.345 56.066 56.400 0.019 0.000 0.748 140 E CB 1.739 31.442 29.700 0.005 0.000 1.206 140 E HN 0.172 nan 8.360 nan 0.000 0.428 141 R N 1.696 122.222 120.500 0.044 0.000 2.113 141 R HA -0.204 4.121 4.340 -0.024 0.000 0.244 141 R C 0.522 176.871 176.300 0.082 0.000 1.142 141 R CA 1.852 57.995 56.100 0.072 0.000 0.953 141 R CB 0.338 30.687 30.300 0.082 0.000 0.860 141 R HN 0.142 nan 8.270 nan 0.000 0.438 142 E N -0.628 119.601 120.200 0.047 0.000 2.419 142 E HA 0.150 4.485 4.350 -0.024 0.000 0.190 142 E C 0.945 177.557 176.600 0.020 0.000 1.040 142 E CA 0.423 56.841 56.400 0.029 0.000 0.900 142 E CB 0.783 30.471 29.700 -0.019 0.000 1.054 142 E HN 0.418 nan 8.360 nan 0.000 0.462 143 A N 0.159 122.992 122.820 0.022 0.000 1.902 143 A HA -0.060 4.245 4.320 -0.024 0.000 0.217 143 A C 0.982 178.577 177.584 0.019 0.000 1.181 143 A CA 0.880 52.915 52.037 -0.004 0.000 0.623 143 A CB 0.267 19.262 19.000 -0.009 0.000 0.818 143 A HN 0.124 nan 8.150 nan 0.000 0.443 144 V N 0.145 120.105 119.914 0.076 0.000 2.380 144 V HA 0.474 4.580 4.120 -0.024 0.000 0.286 144 V C -0.506 175.641 176.094 0.088 0.000 1.015 144 V CA -0.058 62.336 62.300 0.156 0.000 0.834 144 V CB 1.164 33.109 31.823 0.203 0.000 1.009 144 V HN 0.551 nan 8.190 nan 0.000 0.428 145 M N 6.021 125.661 119.600 0.068 0.000 2.259 145 M HA 0.638 5.104 4.480 -0.024 0.000 0.304 145 M C -1.991 174.240 176.300 -0.115 0.000 1.019 145 M CA -0.613 54.678 55.300 -0.015 0.000 0.922 145 M CB 1.877 34.487 32.600 0.016 0.000 1.600 145 M HN 0.520 nan 8.290 nan 0.000 0.433 146 L N 4.405 125.394 121.223 -0.390 0.000 2.287 146 L HA 0.723 5.049 4.340 -0.024 0.000 0.287 146 L C 0.160 176.843 176.870 -0.311 0.000 1.022 146 L CA -0.551 53.984 54.840 -0.509 0.000 0.814 146 L CB 1.764 43.138 42.059 -1.142 0.000 1.217 146 L HN 0.854 nan 8.230 nan 0.000 0.420 147 G N 1.393 110.204 108.800 0.020 0.000 2.513 147 G HA2 0.767 4.713 3.960 -0.024 0.000 0.317 147 G HA3 0.767 4.713 3.960 -0.024 0.000 0.317 147 G C -0.366 174.521 174.900 -0.023 0.000 1.277 147 G CA 0.004 45.179 45.100 0.126 0.000 0.955 147 G HN 0.859 nan 8.290 nan 0.000 0.484 148 G N -0.233 108.477 108.800 -0.151 0.000 2.455 148 G HA2 0.479 4.424 3.960 -0.024 0.000 0.223 148 G HA3 0.479 4.424 3.960 -0.024 0.000 0.223 148 G C -1.988 172.405 174.900 -0.845 0.000 1.226 148 G CA -0.293 44.353 45.100 -0.756 0.000 0.948 148 G HN 1.351 nan 8.290 nan 0.000 0.478 149 L N 0.128 120.601 121.223 -1.249 0.000 2.362 149 L HA 0.869 5.195 4.340 -0.024 0.000 0.275 149 L C -1.514 174.922 176.870 -0.723 0.000 0.998 149 L CA -0.866 53.523 54.840 -0.751 0.000 0.820 149 L CB 1.451 43.296 42.059 -0.357 0.000 1.270 149 L HN 0.409 nan 8.230 nan 0.000 0.415 150 F N 4.700 124.543 119.950 -0.180 0.000 2.361 150 F HA 0.676 5.185 4.527 -0.029 0.000 0.364 150 F C 0.861 176.665 175.800 0.007 0.000 1.117 150 F CA -0.497 57.487 58.000 -0.026 0.000 1.071 150 F CB 1.429 40.306 39.000 -0.205 0.000 1.188 150 F HN 0.693 nan 8.300 nan 0.000 0.464 151 A N 3.252 126.181 122.820 0.182 0.000 2.366 151 A HA 0.065 4.370 4.320 -0.024 0.000 0.249 151 A C 0.825 178.513 177.584 0.174 0.000 1.084 151 A CA -0.253 51.850 52.037 0.110 0.000 0.794 151 A CB 0.126 19.146 19.000 0.035 0.000 1.034 151 A HN 0.906 nan 8.150 nan 0.000 0.491 152 Y N 0.522 120.832 120.300 0.016 0.000 2.114 152 Y HA -0.252 4.277 4.550 -0.035 0.000 0.282 152 Y C 1.658 177.577 175.900 0.032 0.000 1.165 152 Y CA 2.647 60.754 58.100 0.011 0.000 1.148 152 Y CB 0.088 38.529 38.460 -0.032 0.000 0.972 152 Y HN 0.752 nan 8.280 nan 0.000 0.504 153 D N 0.288 120.824 120.400 0.227 0.000 2.351 153 D HA -0.153 4.472 4.640 -0.024 0.000 0.216 153 D C 2.047 178.388 176.300 0.068 0.000 0.968 153 D CA 0.769 54.853 54.000 0.140 0.000 0.899 153 D CB -0.211 40.654 40.800 0.108 0.000 0.907 153 D HN 0.377 nan 8.370 nan 0.000 0.514 154 L N 1.083 122.358 121.223 0.087 0.000 2.129 154 L HA -0.142 4.183 4.340 -0.024 0.000 0.212 154 L C 2.213 179.196 176.870 0.188 0.000 1.087 154 L CA 1.151 56.076 54.840 0.143 0.000 0.757 154 L CB -0.603 41.585 42.059 0.214 0.000 0.896 154 L HN -0.103 nan 8.230 nan 0.000 0.434 155 V N -0.303 119.637 119.914 0.042 0.000 2.720 155 V HA -0.221 3.885 4.120 -0.024 0.000 0.256 155 V C 2.520 178.698 176.094 0.140 0.000 1.082 155 V CA 1.501 63.825 62.300 0.040 0.000 1.101 155 V CB -0.535 31.157 31.823 -0.218 0.000 0.693 155 V HN 0.586 nan 8.190 nan 0.000 0.479 156 A N -0.146 122.722 122.820 0.079 0.000 2.125 156 A HA 0.031 4.336 4.320 -0.024 0.000 0.219 156 A C 2.148 179.733 177.584 0.002 0.000 1.156 156 A CA 1.399 53.459 52.037 0.038 0.000 0.671 156 A CB -0.871 18.136 19.000 0.011 0.000 0.794 156 A HN 0.675 nan 8.150 nan 0.000 0.459 157 G N -2.582 106.240 108.800 0.037 0.000 2.920 157 G HA2 0.223 4.169 3.960 -0.024 0.000 0.208 157 G HA3 0.223 4.169 3.960 -0.024 0.000 0.208 157 G C 0.756 175.268 174.900 -0.646 0.000 1.159 157 G CA 0.544 45.450 45.100 -0.323 0.000 0.784 157 G HN 0.461 nan 8.290 nan 0.000 0.535 158 F N -0.449 119.502 119.950 0.002 0.000 2.784 158 F HA 0.416 4.930 4.527 -0.021 0.000 0.323 158 F C 0.600 176.388 175.800 -0.019 0.000 1.085 158 F CA -0.335 57.671 58.000 0.009 0.000 1.196 158 F CB 0.797 39.808 39.000 0.019 0.000 1.053 158 F HN -0.128 nan 8.300 nan 0.000 0.578 159 E N -0.021 120.241 120.200 0.104 0.000 2.392 159 E HA 0.165 4.500 4.350 -0.024 0.000 0.269 159 E C -0.997 175.608 176.600 0.008 0.000 0.924 159 E CA -0.726 55.697 56.400 0.039 0.000 0.784 159 E CB 1.366 31.078 29.700 0.018 0.000 1.292 159 E HN -0.027 nan 8.360 nan 0.000 0.447 160 N N 1.781 120.479 118.700 -0.003 0.000 2.605 160 N HA 0.070 4.796 4.740 -0.024 0.000 0.282 160 N C -1.062 174.444 175.510 -0.007 0.000 1.206 160 N CA -0.136 52.909 53.050 -0.009 0.000 1.074 160 N CB -0.009 38.471 38.487 -0.012 0.000 1.434 160 N HN 0.031 nan 8.380 nan 0.000 0.506 161 L N 3.444 124.664 121.223 -0.004 0.000 2.341 161 L HA 0.630 4.955 4.340 -0.024 0.000 0.267 161 L C -1.706 175.164 176.870 -0.001 0.000 1.009 161 L CA -2.173 52.669 54.840 0.004 0.000 0.819 161 L CB 0.998 43.068 42.059 0.018 0.000 1.323 161 L HN 0.380 nan 8.230 nan 0.000 0.425 162 P HA 0.374 nan 4.420 nan 0.000 0.276 162 P C -1.315 175.983 177.300 -0.003 0.000 1.252 162 P CA -0.606 62.492 63.100 -0.004 0.000 0.802 162 P CB 0.955 32.653 31.700 -0.003 0.000 1.035 163 A N 2.574 125.388 122.820 -0.011 0.000 2.294 163 A HA 0.456 4.762 4.320 -0.024 0.000 0.316 163 A C 0.440 178.018 177.584 -0.011 0.000 1.359 163 A CA -0.658 51.370 52.037 -0.014 0.000 0.956 163 A CB -0.663 18.323 19.000 -0.023 0.000 1.155 163 A HN 0.474 nan 8.150 nan 0.000 0.544 164 L N 1.963 123.182 121.223 -0.006 0.000 2.456 164 L HA 0.440 4.766 4.340 -0.024 0.000 0.257 164 L C 1.176 178.036 176.870 -0.017 0.000 1.162 164 L CA -0.910 53.923 54.840 -0.011 0.000 0.808 164 L CB 0.599 42.651 42.059 -0.010 0.000 1.136 164 L HN 0.905 nan 8.230 nan 0.000 0.466 165 R N 1.052 121.540 120.500 -0.020 0.000 2.679 165 R HA 0.100 4.425 4.340 -0.024 0.000 0.268 165 R C -0.442 175.842 176.300 -0.027 0.000 1.044 165 R CA -0.345 55.742 56.100 -0.021 0.000 1.105 165 R CB 0.352 30.640 30.300 -0.020 0.000 0.989 165 R HN 0.604 nan 8.270 nan 0.000 0.447 166 Q N 1.445 121.231 119.800 -0.024 0.000 2.372 166 Q HA 0.112 4.437 4.340 -0.024 0.000 0.259 166 Q C -0.935 175.050 176.000 -0.025 0.000 0.993 166 Q CA -0.585 55.200 55.803 -0.031 0.000 0.854 166 Q CB 1.407 30.131 28.738 -0.023 0.000 1.231 166 Q HN 0.752 nan 8.270 nan 0.000 0.462 167 D N 3.366 123.743 120.400 -0.038 0.000 2.398 167 D HA 0.089 4.715 4.640 -0.024 0.000 0.210 167 D C -0.427 175.870 176.300 -0.006 0.000 1.094 167 D CA 0.412 54.399 54.000 -0.021 0.000 0.839 167 D CB 0.772 41.555 40.800 -0.028 0.000 0.963 167 D HN 0.563 nan 8.370 nan 0.000 0.506 168 Q N -0.394 119.389 119.800 -0.029 0.000 2.423 168 Q HA 0.434 4.760 4.340 -0.024 0.000 0.278 168 Q C 0.495 176.517 176.000 0.038 0.000 1.097 168 Q CA -0.677 55.135 55.803 0.015 0.000 0.809 168 Q CB 2.510 31.145 28.738 -0.172 0.000 1.391 168 Q HN -0.185 nan 8.270 nan 0.000 0.428 169 R N -0.258 120.329 120.500 0.145 0.000 2.307 169 R HA 0.066 4.391 4.340 -0.024 0.000 0.199 169 R C 0.525 176.897 176.300 0.121 0.000 1.000 169 R CA 0.013 56.198 56.100 0.142 0.000 1.023 169 R CB -0.063 30.360 30.300 0.206 0.000 0.908 169 R HN 0.465 nan 8.270 nan 0.000 0.473 170 C N 3.547 122.855 119.300 0.012 0.000 2.517 170 C HA 0.090 4.535 4.460 -0.024 0.000 0.403 170 C C -1.325 173.619 174.990 -0.077 0.000 1.467 170 C CA -1.662 57.259 59.018 -0.161 0.000 1.542 170 C CB 0.043 27.477 27.740 -0.510 0.000 2.482 170 C HN 0.317 nan 8.230 nan 0.000 0.610 171 P HA 0.289 nan 4.420 nan 0.000 0.302 171 P C 0.253 177.527 177.300 -0.044 0.000 1.307 171 P CA 0.054 63.143 63.100 -0.018 0.000 0.754 171 P CB 0.723 32.431 31.700 0.013 0.000 1.298 172 D N -1.409 118.946 120.400 -0.075 0.000 2.149 172 D HA 0.040 4.666 4.640 -0.024 0.000 0.201 172 D C 0.575 176.925 176.300 0.082 0.000 0.972 172 D CA 1.640 55.616 54.000 -0.039 0.000 0.835 172 D CB -0.250 40.489 40.800 -0.102 0.000 0.966 172 D HN 0.384 nan 8.370 nan 0.000 0.476 173 F N -1.565 118.373 119.950 -0.020 0.000 2.668 173 F HA 0.523 5.043 4.527 -0.013 0.000 0.309 173 F C -1.460 174.257 175.800 -0.139 0.000 1.117 173 F CA -2.384 55.566 58.000 -0.083 0.000 0.951 173 F CB 1.061 40.102 39.000 0.068 0.000 1.323 173 F HN -0.197 nan 8.300 nan 0.000 0.451 174 C N 3.439 122.722 119.300 -0.029 0.000 2.887 174 C HA 0.792 5.238 4.460 -0.024 0.000 0.379 174 C C -1.982 172.563 174.990 -0.742 0.000 1.064 174 C CA -0.590 58.357 59.018 -0.118 0.000 1.282 174 C CB -0.788 26.949 27.740 -0.005 0.000 1.749 174 C HN 0.720 nan 8.230 nan 0.000 0.489 175 F N 3.863 123.702 119.950 -0.184 0.000 2.577 175 F HA 0.647 5.158 4.527 -0.027 0.000 0.318 175 F C -0.285 175.400 175.800 -0.193 0.000 1.065 175 F CA -0.586 57.190 58.000 -0.373 0.000 0.929 175 F CB 1.512 40.305 39.000 -0.345 0.000 1.237 175 F HN 0.488 nan 8.300 nan 0.000 0.468 176 Y N 2.597 122.960 120.300 0.104 0.000 2.352 176 Y HA 0.476 5.012 4.550 -0.024 0.000 0.339 176 Y C -0.418 175.496 175.900 0.023 0.000 0.992 176 Y CA -1.163 56.965 58.100 0.047 0.000 1.100 176 Y CB 1.743 40.220 38.460 0.028 0.000 1.192 176 Y HN 0.285 nan 8.280 nan 0.000 0.458 177 L N 3.881 125.198 121.223 0.157 0.000 2.260 177 L HA 0.537 4.862 4.340 -0.024 0.000 0.289 177 L C 0.056 176.998 176.870 0.121 0.000 1.057 177 L CA -0.582 54.292 54.840 0.058 0.000 0.811 177 L CB 0.586 42.610 42.059 -0.057 0.000 1.184 177 L HN 0.845 nan 8.230 nan 0.000 0.429 178 A N 3.918 126.818 122.820 0.133 0.000 2.477 178 A HA 0.125 4.430 4.320 -0.024 0.000 0.246 178 A C 0.848 178.540 177.584 0.179 0.000 1.078 178 A CA 0.074 52.191 52.037 0.134 0.000 0.770 178 A CB 0.301 19.357 19.000 0.094 0.000 1.011 178 A HN 0.940 nan 8.150 nan 0.000 0.494 179 E N 1.000 121.279 120.200 0.132 0.000 2.391 179 E HA 0.113 4.449 4.350 -0.024 0.000 0.206 179 E C -0.103 176.526 176.600 0.048 0.000 0.851 179 E CA 0.419 56.900 56.400 0.135 0.000 1.059 179 E CB 0.569 30.356 29.700 0.146 0.000 1.065 179 E HN 0.443 nan 8.360 nan 0.000 0.512 180 T N 1.499 116.074 114.554 0.035 0.000 2.841 180 T HA 0.547 4.883 4.350 -0.024 0.000 0.285 180 T C -1.636 173.073 174.700 0.015 0.000 0.991 180 T CA -0.565 61.541 62.100 0.010 0.000 0.966 180 T CB 1.593 70.460 68.868 -0.001 0.000 0.962 180 T HN 0.180 nan 8.240 nan 0.000 0.438 181 L N 4.492 125.718 121.223 0.006 0.000 2.431 181 L HA 0.858 5.183 4.340 -0.024 0.000 0.266 181 L C -1.915 174.956 176.870 0.001 0.000 0.978 181 L CA -0.911 53.934 54.840 0.008 0.000 0.822 181 L CB 1.913 43.972 42.059 -0.001 0.000 1.310 181 L HN 0.562 nan 8.230 nan 0.000 0.409 182 L N 5.434 126.663 121.223 0.009 0.000 2.341 182 L HA 0.803 5.128 4.340 -0.024 0.000 0.278 182 L C -1.446 175.427 176.870 0.005 0.000 1.005 182 L CA -0.336 54.507 54.840 0.006 0.000 0.818 182 L CB 1.993 44.059 42.059 0.012 0.000 1.259 182 L HN 0.402 nan 8.230 nan 0.000 0.418 183 V N 6.445 126.355 119.914 -0.006 0.000 2.409 183 V HA 0.465 4.571 4.120 -0.024 0.000 0.291 183 V C -0.190 175.891 176.094 -0.022 0.000 1.020 183 V CA -0.511 61.779 62.300 -0.016 0.000 0.848 183 V CB 1.418 33.226 31.823 -0.024 0.000 0.990 183 V HN 0.616 nan 8.190 nan 0.000 0.430 184 L N 4.089 125.279 121.223 -0.055 0.000 2.296 184 L HA 0.580 4.906 4.340 -0.024 0.000 0.286 184 L C -0.344 176.371 176.870 -0.259 0.000 1.023 184 L CA -0.337 54.434 54.840 -0.115 0.000 0.812 184 L CB 1.742 43.696 42.059 -0.175 0.000 1.223 184 L HN 0.555 nan 8.230 nan 0.000 0.421 185 D N 2.030 122.354 120.400 -0.127 0.000 2.454 185 D HA 0.136 4.762 4.640 -0.024 0.000 0.225 185 D C 0.848 177.061 176.300 -0.145 0.000 1.081 185 D CA -0.320 53.592 54.000 -0.147 0.000 0.864 185 D CB 0.733 41.493 40.800 -0.067 0.000 1.040 185 D HN 0.465 nan 8.370 nan 0.000 0.517 186 H N 2.154 121.312 119.070 0.146 0.000 2.495 186 H HA -0.013 4.528 4.556 -0.024 0.000 0.287 186 H C 1.260 176.567 175.328 -0.034 0.000 1.033 186 H CA 0.712 56.832 56.048 0.120 0.000 1.307 186 H CB 0.568 30.424 29.762 0.157 0.000 1.401 186 H HN 0.573 nan 8.280 nan 0.000 0.555 187 Q N 0.542 120.371 119.800 0.048 0.000 2.137 187 Q HA -0.049 4.277 4.340 -0.024 0.000 0.198 187 Q C 1.778 177.737 176.000 -0.069 0.000 0.960 187 Q CA 0.812 56.616 55.803 0.002 0.000 0.847 187 Q CB 0.233 28.978 28.738 0.012 0.000 0.915 187 Q HN 0.238 nan 8.270 nan 0.000 0.448 188 R N -0.748 119.686 120.500 -0.109 0.000 2.290 188 R HA 0.126 4.452 4.340 -0.024 0.000 0.197 188 R C 0.804 176.944 176.300 -0.267 0.000 0.913 188 R CA 0.652 56.669 56.100 -0.138 0.000 1.040 188 R CB 0.308 30.551 30.300 -0.094 0.000 0.992 188 R HN 0.307 nan 8.270 nan 0.000 0.500 189 G N 0.503 109.008 108.800 -0.491 0.000 2.314 189 G HA2 -0.266 3.680 3.960 -0.024 0.000 0.292 189 G HA3 -0.266 3.680 3.960 -0.024 0.000 0.292 189 G C -0.195 174.311 174.900 -0.657 0.000 1.059 189 G CA 0.594 45.015 45.100 -1.131 0.000 0.982 189 G HN 0.312 nan 8.290 nan 0.000 0.505 190 S N -1.002 114.531 115.700 -0.278 0.000 2.566 190 S HA 0.957 5.413 4.470 -0.024 0.000 0.298 190 S C 0.122 174.813 174.600 0.153 0.000 1.083 190 S CA 0.449 58.644 58.200 -0.008 0.000 0.978 190 S CB 1.785 64.961 63.200 -0.040 0.000 1.073 190 S HN 1.883 nan 8.310 nan 0.000 0.491 191 A N 2.953 125.847 122.820 0.124 0.000 2.498 191 A HA 0.863 5.169 4.320 -0.024 0.000 0.298 191 A C -0.976 176.631 177.584 0.038 0.000 1.075 191 A CA -0.718 51.373 52.037 0.089 0.000 0.714 191 A CB 1.467 20.524 19.000 0.095 0.000 1.299 191 A HN 0.753 nan 8.150 nan 0.000 0.407 192 R N 0.402 120.913 120.500 0.017 0.000 2.628 192 R HA 0.605 4.930 4.340 -0.024 0.000 0.288 192 R C -2.109 174.190 176.300 -0.000 0.000 0.980 192 R CA -0.806 55.297 56.100 0.005 0.000 0.891 192 R CB 2.056 32.355 30.300 -0.002 0.000 1.188 192 R HN 0.534 nan 8.270 nan 0.000 0.450 193 L N 3.667 124.888 121.223 -0.003 0.000 2.356 193 L HA 0.406 4.731 4.340 -0.024 0.000 0.277 193 L C -1.081 175.781 176.870 -0.013 0.000 0.996 193 L CA -0.233 54.602 54.840 -0.007 0.000 0.822 193 L CB 1.744 43.800 42.059 -0.006 0.000 1.256 193 L HN 0.687 nan 8.230 nan 0.000 0.413 194 Q N 3.914 123.704 119.800 -0.017 0.000 2.456 194 Q HA 0.975 5.300 4.340 -0.024 0.000 0.283 194 Q C -1.699 174.281 176.000 -0.033 0.000 1.084 194 Q CA -1.082 54.705 55.803 -0.027 0.000 0.801 194 Q CB 2.212 30.931 28.738 -0.030 0.000 1.434 194 Q HN 0.705 nan 8.270 nan 0.000 0.419 195 A N 1.066 123.856 122.820 -0.050 0.000 2.371 195 A HA 0.710 5.016 4.320 -0.024 0.000 0.311 195 A C -0.992 176.524 177.584 -0.112 0.000 1.068 195 A CA -0.793 51.208 52.037 -0.060 0.000 0.744 195 A CB 2.025 20.992 19.000 -0.054 0.000 1.239 195 A HN 0.600 nan 8.150 nan 0.000 0.435 196 S N 1.274 116.885 115.700 -0.148 0.000 2.423 196 S HA 0.442 4.898 4.470 -0.024 0.000 0.317 196 S C -0.351 173.952 174.600 -0.494 0.000 1.065 196 S CA -0.424 57.561 58.200 -0.358 0.000 1.111 196 S CB 0.826 63.796 63.200 -0.383 0.000 0.968 196 S HN 0.576 nan 8.310 nan 0.000 0.474 197 V N 5.101 124.748 119.914 -0.445 0.000 2.318 197 V HA 0.295 4.401 4.120 -0.024 0.000 0.271 197 V C 0.044 175.923 176.094 -0.359 0.000 1.030 197 V CA -0.314 61.815 62.300 -0.285 0.000 0.844 197 V CB 0.003 31.741 31.823 -0.142 0.000 1.015 197 V HN 0.884 nan 8.190 nan 0.000 0.460 198 F N 1.406 121.357 119.950 0.002 0.000 2.473 198 F HA 0.097 4.610 4.527 -0.022 0.000 0.294 198 F C 1.837 177.641 175.800 0.006 0.000 1.103 198 F CA 0.447 58.451 58.000 0.007 0.000 1.442 198 F CB 0.199 39.206 39.000 0.011 0.000 1.097 198 F HN 0.511 nan 8.300 nan 0.000 0.547 199 S N 0.506 116.305 115.700 0.166 0.000 2.592 199 S HA 0.080 4.536 4.470 -0.024 0.000 0.271 199 S C 0.862 175.491 174.600 0.048 0.000 1.326 199 S CA -0.374 57.883 58.200 0.096 0.000 1.024 199 S CB 0.803 64.047 63.200 0.074 0.000 0.921 199 S HN 0.368 nan 8.310 nan 0.000 0.527 200 E N 0.959 121.183 120.200 0.039 0.000 2.481 200 E HA 0.105 4.440 4.350 -0.024 0.000 0.198 200 E C -0.161 176.446 176.600 0.012 0.000 1.027 200 E CA -0.173 56.239 56.400 0.020 0.000 0.900 200 E CB 0.355 30.069 29.700 0.023 0.000 0.993 200 E HN 0.570 nan 8.360 nan 0.000 0.482 201 Q N 0.247 120.056 119.800 0.015 0.000 2.313 201 Q HA 0.153 4.479 4.340 -0.024 0.000 0.266 201 Q C 0.871 176.870 176.000 -0.002 0.000 0.989 201 Q CA 0.016 55.824 55.803 0.009 0.000 0.890 201 Q CB 1.457 30.204 28.738 0.014 0.000 1.200 201 Q HN 0.170 nan 8.270 nan 0.000 0.396 202 A N 2.885 125.702 122.820 -0.005 0.000 1.908 202 A HA -0.228 4.078 4.320 -0.024 0.000 0.218 202 A C 2.089 179.661 177.584 -0.020 0.000 1.181 202 A CA 2.138 54.166 52.037 -0.015 0.000 0.627 202 A CB -0.547 18.447 19.000 -0.010 0.000 0.818 202 A HN 0.815 nan 8.150 nan 0.000 0.445 203 S N -0.435 115.260 115.700 -0.008 0.000 2.400 203 S HA -0.200 4.255 4.470 -0.024 0.000 0.232 203 S C 1.734 176.328 174.600 -0.010 0.000 1.025 203 S CA 1.644 59.842 58.200 -0.003 0.000 0.993 203 S CB -0.276 62.930 63.200 0.010 0.000 0.808 203 S HN 0.514 nan 8.310 nan 0.000 0.478 204 E N 1.995 122.191 120.200 -0.008 0.000 2.112 204 E HA 0.248 4.584 4.350 -0.024 0.000 0.190 204 E C 2.126 178.706 176.600 -0.033 0.000 0.979 204 E CA 1.134 57.531 56.400 -0.006 0.000 0.814 204 E CB -0.781 28.927 29.700 0.013 0.000 0.762 204 E HN 0.578 nan 8.360 nan 0.000 0.460 205 A N 0.538 123.330 122.820 -0.046 0.000 1.930 205 A HA -0.174 4.132 4.320 -0.024 0.000 0.217 205 A C 2.077 179.587 177.584 -0.123 0.000 1.175 205 A CA 1.306 53.299 52.037 -0.073 0.000 0.627 205 A CB -0.405 18.556 19.000 -0.065 0.000 0.815 205 A HN 0.176 nan 8.150 nan 0.000 0.443 206 Q N -0.695 119.021 119.800 -0.141 0.000 2.119 206 Q HA -0.141 4.184 4.340 -0.024 0.000 0.201 206 Q C 2.270 178.057 176.000 -0.355 0.000 0.972 206 Q CA 1.456 57.087 55.803 -0.285 0.000 0.847 206 Q CB -0.311 28.315 28.738 -0.187 0.000 0.903 206 Q HN 0.777 nan 8.270 nan 0.000 0.433 207 R N 0.521 120.952 120.500 -0.115 0.000 2.073 207 R HA -0.085 4.241 4.340 -0.024 0.000 0.234 207 R C 2.328 178.611 176.300 -0.028 0.000 1.134 207 R CA 0.946 57.040 56.100 -0.009 0.000 0.952 207 R CB -0.192 30.122 30.300 0.022 0.000 0.850 207 R HN 0.183 nan 8.270 nan 0.000 0.433 208 L N 0.607 121.797 121.223 -0.055 0.000 2.141 208 L HA -0.154 4.172 4.340 -0.024 0.000 0.209 208 L C 2.687 179.521 176.870 -0.060 0.000 1.094 208 L CA 1.035 55.850 54.840 -0.042 0.000 0.763 208 L CB -0.377 41.657 42.059 -0.043 0.000 0.908 208 L HN 0.278 nan 8.230 nan 0.000 0.437 209 Q N -0.342 119.378 119.800 -0.132 0.000 2.050 209 Q HA -0.230 4.095 4.340 -0.024 0.000 0.202 209 Q C 2.208 178.174 176.000 -0.057 0.000 0.980 209 Q CA 1.793 57.515 55.803 -0.134 0.000 0.840 209 Q CB -0.146 28.455 28.738 -0.228 0.000 0.898 209 Q HN 0.451 nan 8.270 nan 0.000 0.424 210 H N -0.609 118.452 119.070 -0.015 0.000 2.387 210 H HA -0.042 4.499 4.556 -0.024 0.000 0.299 210 H C 2.033 177.351 175.328 -0.018 0.000 1.090 210 H CA 1.607 57.646 56.048 -0.015 0.000 1.332 210 H CB -0.119 29.635 29.762 -0.014 0.000 1.386 210 H HN 0.147 nan 8.280 nan 0.000 0.516 211 R N 0.880 121.438 120.500 0.097 0.000 2.081 211 R HA -0.082 4.244 4.340 -0.024 0.000 0.235 211 R C 2.124 178.436 176.300 0.020 0.000 1.131 211 R CA 0.745 56.870 56.100 0.041 0.000 0.960 211 R CB -0.864 29.447 30.300 0.019 0.000 0.856 211 R HN 0.130 nan 8.270 nan 0.000 0.436 212 L N 1.202 122.432 121.223 0.013 0.000 2.042 212 L HA -0.126 4.200 4.340 -0.024 0.000 0.210 212 L C 2.035 178.911 176.870 0.010 0.000 1.076 212 L CA 1.924 56.765 54.840 0.003 0.000 0.749 212 L CB -0.748 41.306 42.059 -0.007 0.000 0.893 212 L HN 0.329 nan 8.230 nan 0.000 0.432 213 E N -1.247 118.970 120.200 0.028 0.000 2.072 213 E HA -0.287 4.048 4.350 -0.024 0.000 0.191 213 E C 2.066 178.676 176.600 0.016 0.000 0.985 213 E CA 1.109 57.527 56.400 0.030 0.000 0.801 213 E CB -0.175 29.562 29.700 0.061 0.000 0.750 213 E HN 0.570 nan 8.360 nan 0.000 0.452 214 Q N 1.046 120.857 119.800 0.017 0.000 2.061 214 Q HA -0.190 4.136 4.340 -0.024 0.000 0.204 214 Q C 2.212 178.205 176.000 -0.013 0.000 0.984 214 Q CA 1.233 57.035 55.803 -0.002 0.000 0.846 214 Q CB -0.047 28.690 28.738 -0.002 0.000 0.902 214 Q HN 0.279 nan 8.270 nan 0.000 0.421 215 L N 0.379 121.594 121.223 -0.012 0.000 2.141 215 L HA -0.175 4.150 4.340 -0.024 0.000 0.209 215 L C 2.771 179.631 176.870 -0.017 0.000 1.094 215 L CA 1.306 56.133 54.840 -0.022 0.000 0.763 215 L CB -0.461 41.585 42.059 -0.023 0.000 0.908 215 L HN 0.416 nan 8.230 nan 0.000 0.437 216 Q N 0.282 120.076 119.800 -0.009 0.000 2.096 216 Q HA -0.253 4.073 4.340 -0.024 0.000 0.204 216 Q C 2.286 178.282 176.000 -0.008 0.000 0.982 216 Q CA 1.935 57.735 55.803 -0.005 0.000 0.850 216 Q CB -0.075 28.663 28.738 0.001 0.000 0.901 216 Q HN 0.522 nan 8.270 nan 0.000 0.422 217 A N 0.820 123.634 122.820 -0.009 0.000 1.902 217 A HA -0.210 4.096 4.320 -0.024 0.000 0.217 217 A C 1.789 179.363 177.584 -0.018 0.000 1.181 217 A CA 1.588 53.618 52.037 -0.012 0.000 0.623 217 A CB -0.528 18.465 19.000 -0.013 0.000 0.818 217 A HN 0.531 nan 8.150 nan 0.000 0.443 218 E N -0.175 120.011 120.200 -0.024 0.000 2.153 218 E HA -0.147 4.189 4.350 -0.024 0.000 0.194 218 E C 1.788 178.370 176.600 -0.030 0.000 0.988 218 E CA 0.965 57.345 56.400 -0.032 0.000 0.811 218 E CB -0.310 29.364 29.700 -0.044 0.000 0.746 218 E HN 0.645 nan 8.360 nan 0.000 0.466 219 L N 0.606 121.813 121.223 -0.027 0.000 2.261 219 L HA -0.221 4.104 4.340 -0.024 0.000 0.216 219 L C 2.101 178.958 176.870 -0.021 0.000 1.114 219 L CA 1.132 55.956 54.840 -0.028 0.000 0.777 219 L CB -0.191 41.854 42.059 -0.024 0.000 0.910 219 L HN 0.129 nan 8.230 nan 0.000 0.440 220 Q N -0.659 119.132 119.800 -0.015 0.000 2.356 220 Q HA 0.065 4.391 4.340 -0.024 0.000 0.205 220 Q C 1.024 177.018 176.000 -0.010 0.000 0.901 220 Q CA 0.046 55.844 55.803 -0.009 0.000 0.938 220 Q CB 0.322 29.058 28.738 -0.004 0.000 1.081 220 Q HN 0.601 nan 8.270 nan 0.000 0.517 221 Q N 2.363 122.153 119.800 -0.016 0.000 2.230 221 Q HA 0.304 4.629 4.340 -0.024 0.000 0.248 221 Q C -2.516 173.475 176.000 -0.014 0.000 0.915 221 Q CA -2.355 53.439 55.803 -0.015 0.000 0.900 221 Q CB -0.545 28.180 28.738 -0.021 0.000 1.229 221 Q HN 0.026 nan 8.270 nan 0.000 0.439 222 P HA 0.148 nan 4.420 nan 0.000 0.266 222 P C -2.429 174.868 177.300 -0.005 0.000 1.215 222 P CA -0.642 62.454 63.100 -0.006 0.000 0.763 222 P CB 0.468 32.167 31.700 -0.003 0.000 0.806 223 P HA 0.204 nan 4.420 nan 0.000 0.276 223 P C -0.308 177.011 177.300 0.031 0.000 1.244 223 P CA -0.271 62.835 63.100 0.011 0.000 0.801 223 P CB 0.810 32.521 31.700 0.018 0.000 1.006 224 Q N 2.294 122.128 119.800 0.057 0.000 2.312 224 Q HA 0.342 4.668 4.340 -0.024 0.000 0.236 224 Q C -2.060 174.012 176.000 0.119 0.000 0.965 224 Q CA -1.735 54.119 55.803 0.085 0.000 0.894 224 Q CB 0.164 28.965 28.738 0.105 0.000 1.225 224 Q HN 0.336 nan 8.270 nan 0.000 0.478 225 P HA 0.099 nan 4.420 nan 0.000 0.274 225 P C -0.637 176.661 177.300 -0.002 0.000 1.237 225 P CA -0.064 63.059 63.100 0.039 0.000 0.793 225 P CB 0.599 32.318 31.700 0.033 0.000 0.977 226 I N 2.804 123.312 120.570 -0.104 0.000 2.598 226 I HA 0.030 4.185 4.170 -0.024 0.000 0.284 226 I C -1.657 174.364 176.117 -0.160 0.000 1.140 226 I CA -1.498 59.636 61.300 -0.277 0.000 1.420 226 I CB -0.240 37.621 38.000 -0.230 0.000 1.387 226 I HN 0.239 nan 8.210 nan 0.000 0.553 227 P HA 0.065 nan 4.420 nan 0.000 0.268 227 P C -1.012 176.360 177.300 0.120 0.000 1.208 227 P CA 0.398 63.495 63.100 -0.005 0.000 0.777 227 P CB 0.424 32.091 31.700 -0.056 0.000 0.875 228 H N -0.690 118.340 119.070 -0.066 0.000 3.064 228 H HA 0.460 5.002 4.556 -0.024 0.000 0.352 228 H C -1.424 173.902 175.328 -0.003 0.000 1.260 228 H CA -0.912 55.095 56.048 -0.068 0.000 1.160 228 H CB 0.985 30.704 29.762 -0.072 0.000 1.879 228 H HN 0.418 nan 8.280 nan 0.000 0.544 229 Q N 0.891 120.711 119.800 0.033 0.000 2.433 229 Q HA 0.434 4.760 4.340 -0.024 0.000 0.279 229 Q C -0.880 175.220 176.000 0.167 0.000 1.105 229 Q CA -1.197 54.636 55.803 0.049 0.000 0.815 229 Q CB 3.313 32.134 28.738 0.138 0.000 1.403 229 Q HN 0.542 nan 8.270 nan 0.000 0.435 230 K N 1.406 121.866 120.400 0.099 0.000 2.185 230 K HA 0.413 4.719 4.320 -0.024 0.000 0.269 230 K C -1.212 175.480 176.600 0.154 0.000 0.987 230 K CA -0.521 55.850 56.287 0.139 0.000 0.865 230 K CB 0.649 33.149 32.500 -0.001 0.000 1.090 230 K HN 0.358 nan 8.250 nan 0.000 0.450 231 L N 5.436 126.778 121.223 0.198 0.000 2.574 231 L HA 0.111 4.436 4.340 -0.024 0.000 0.258 231 L C 0.979 177.926 176.870 0.129 0.000 1.520 231 L CA 0.041 54.966 54.840 0.142 0.000 0.775 231 L CB 0.872 43.009 42.059 0.130 0.000 1.028 231 L HN 0.828 nan 8.230 nan 0.000 0.516 232 E N -1.088 119.174 120.200 0.104 0.000 2.160 232 E HA -0.208 4.128 4.350 -0.024 0.000 0.195 232 E C 0.302 176.943 176.600 0.068 0.000 0.991 232 E CA 1.408 57.859 56.400 0.085 0.000 0.810 232 E CB 0.064 29.801 29.700 0.061 0.000 0.742 232 E HN 0.463 nan 8.360 nan 0.000 0.466 233 N N 0.773 119.512 118.700 0.066 0.000 2.322 233 N HA 0.067 4.792 4.740 -0.024 0.000 0.194 233 N C 0.459 176.025 175.510 0.093 0.000 1.126 233 N CA 0.029 53.117 53.050 0.064 0.000 0.845 233 N CB 0.056 38.572 38.487 0.049 0.000 0.976 233 N HN 0.305 nan 8.380 nan 0.000 0.475 234 M N 1.532 121.200 119.600 0.114 0.000 2.210 234 M HA -0.188 4.278 4.480 -0.024 0.000 0.428 234 M C -0.632 175.807 176.300 0.231 0.000 1.344 234 M CA 0.979 56.371 55.300 0.153 0.000 0.770 234 M CB 0.394 33.108 32.600 0.191 0.000 1.960 234 M HN -0.042 nan 8.290 nan 0.000 0.521 235 Q N 4.644 124.534 119.800 0.150 0.000 2.337 235 Q HA 0.464 4.789 4.340 -0.024 0.000 0.266 235 Q C -1.146 174.851 176.000 -0.005 0.000 1.023 235 Q CA -0.807 55.073 55.803 0.129 0.000 0.829 235 Q CB 2.055 30.837 28.738 0.073 0.000 1.306 235 Q HN 0.811 nan 8.270 nan 0.000 0.449 236 L N 1.873 123.017 121.223 -0.132 0.000 2.326 236 L HA 0.470 4.796 4.340 -0.024 0.000 0.278 236 L C -0.439 176.371 176.870 -0.099 0.000 1.092 236 L CA 0.374 55.020 54.840 -0.323 0.000 0.810 236 L CB 1.061 42.679 42.059 -0.734 0.000 1.153 236 L HN 0.721 nan 8.230 nan 0.000 0.439 237 S N 3.457 119.129 115.700 -0.046 0.000 2.704 237 S HA 0.821 5.276 4.470 -0.024 0.000 0.296 237 S C -0.955 173.647 174.600 0.003 0.000 1.138 237 S CA -0.824 57.372 58.200 -0.007 0.000 0.875 237 S CB 1.528 64.726 63.200 -0.004 0.000 1.151 237 S HN 0.918 nan 8.310 nan 0.000 0.500 238 C N 1.703 120.960 119.300 -0.072 0.000 3.090 238 C HA 0.520 4.966 4.460 -0.024 0.000 0.347 238 C C 0.853 175.725 174.990 -0.196 0.000 1.147 238 C CA -0.450 58.426 59.018 -0.237 0.000 1.305 238 C CB 1.096 28.586 27.740 -0.416 0.000 1.692 238 C HN 1.097 nan 8.230 nan 0.000 0.506 239 N N 2.483 121.048 118.700 -0.224 0.000 2.459 239 N HA -0.060 4.666 4.740 -0.024 0.000 0.181 239 N C -0.040 175.389 175.510 -0.136 0.000 1.046 239 N CA 0.868 53.829 53.050 -0.148 0.000 0.904 239 N CB 0.094 38.497 38.487 -0.140 0.000 0.964 239 N HN 0.870 nan 8.380 nan 0.000 0.444 240 Q N 0.585 120.275 119.800 -0.184 0.000 2.304 240 Q HA 0.322 4.648 4.340 -0.024 0.000 0.270 240 Q C -0.615 175.322 176.000 -0.105 0.000 1.035 240 Q CA -0.735 55.002 55.803 -0.110 0.000 0.781 240 Q CB 2.238 30.947 28.738 -0.047 0.000 1.261 240 Q HN 0.259 nan 8.270 nan 0.000 0.444 241 S N 0.940 116.614 115.700 -0.043 0.000 2.596 241 S HA 0.045 4.501 4.470 -0.024 0.000 0.260 241 S C 0.360 174.975 174.600 0.025 0.000 1.336 241 S CA -0.227 57.965 58.200 -0.013 0.000 0.993 241 S CB 0.640 63.842 63.200 0.003 0.000 0.923 241 S HN 0.527 nan 8.310 nan 0.000 0.567 242 D N 0.942 121.369 120.400 0.045 0.000 2.144 242 D HA -0.047 4.578 4.640 -0.024 0.000 0.199 242 D C 1.821 178.179 176.300 0.098 0.000 0.984 242 D CA 1.408 55.459 54.000 0.086 0.000 0.834 242 D CB -0.366 40.481 40.800 0.077 0.000 0.955 242 D HN 0.668 nan 8.370 nan 0.000 0.465 243 E N 0.779 121.014 120.200 0.058 0.000 2.077 243 E HA -0.132 4.203 4.350 -0.024 0.000 0.193 243 E C 2.003 178.624 176.600 0.034 0.000 0.989 243 E CA 0.887 57.312 56.400 0.042 0.000 0.800 243 E CB -0.229 29.486 29.700 0.025 0.000 0.746 243 E HN 0.435 nan 8.360 nan 0.000 0.452 244 E N -0.634 119.586 120.200 0.032 0.000 2.072 244 E HA -0.177 4.158 4.350 -0.024 0.000 0.191 244 E C 1.827 178.443 176.600 0.026 0.000 0.985 244 E CA 0.832 57.241 56.400 0.014 0.000 0.801 244 E CB -0.222 29.479 29.700 0.002 0.000 0.750 244 E HN 0.278 nan 8.360 nan 0.000 0.452 245 Y N 1.115 121.383 120.300 -0.054 0.000 2.181 245 Y HA -0.125 4.410 4.550 -0.026 0.000 0.288 245 Y C 2.305 178.188 175.900 -0.028 0.000 1.146 245 Y CA 1.730 59.798 58.100 -0.054 0.000 1.164 245 Y CB -0.548 37.875 38.460 -0.062 0.000 0.982 245 Y HN 0.001 nan 8.280 nan 0.000 0.515 246 G N -0.405 108.416 108.800 0.035 0.000 2.432 246 G HA2 -0.246 3.700 3.960 -0.024 0.000 0.219 246 G HA3 -0.246 3.700 3.960 -0.024 0.000 0.219 246 G C 1.787 176.634 174.900 -0.089 0.000 1.135 246 G CA 0.850 45.934 45.100 -0.026 0.000 0.767 246 G HN 0.583 nan 8.290 nan 0.000 0.550 247 A N 0.120 122.896 122.820 -0.074 0.000 1.930 247 A HA 0.133 4.438 4.320 -0.024 0.000 0.217 247 A C 2.580 180.093 177.584 -0.119 0.000 1.175 247 A CA 1.595 53.588 52.037 -0.073 0.000 0.627 247 A CB -0.539 18.432 19.000 -0.049 0.000 0.815 247 A HN 0.226 nan 8.150 nan 0.000 0.443 248 V N -0.310 119.495 119.914 -0.182 0.000 2.343 248 V HA -0.239 3.867 4.120 -0.024 0.000 0.247 248 V C 2.593 178.538 176.094 -0.248 0.000 1.051 248 V CA 2.057 64.222 62.300 -0.224 0.000 1.036 248 V CB -0.684 30.951 31.823 -0.313 0.000 0.654 248 V HN 0.379 nan 8.190 nan 0.000 0.451 249 V N 0.912 120.627 119.914 -0.333 0.000 2.295 249 V HA -0.240 3.866 4.120 -0.024 0.000 0.246 249 V C 2.704 178.722 176.094 -0.128 0.000 1.049 249 V CA 2.338 64.488 62.300 -0.250 0.000 1.024 249 V CB -0.833 30.850 31.823 -0.233 0.000 0.648 249 V HN 0.781 nan 8.190 nan 0.000 0.447 250 S N 0.059 115.698 115.700 -0.102 0.000 2.368 250 S HA -0.288 4.167 4.470 -0.024 0.000 0.225 250 S C 1.945 176.512 174.600 -0.055 0.000 1.030 250 S CA 1.764 59.929 58.200 -0.058 0.000 0.999 250 S CB -0.482 62.692 63.200 -0.042 0.000 0.844 250 S HN 0.739 nan 8.310 nan 0.000 0.459 251 E N 1.371 121.530 120.200 -0.068 0.000 2.051 251 E HA -0.099 4.237 4.350 -0.024 0.000 0.192 251 E C 2.051 178.619 176.600 -0.054 0.000 0.991 251 E CA 1.214 57.580 56.400 -0.056 0.000 0.799 251 E CB -0.359 29.306 29.700 -0.060 0.000 0.748 251 E HN 0.601 nan 8.360 nan 0.000 0.449 252 L N 0.554 121.735 121.223 -0.070 0.000 2.131 252 L HA -0.206 4.120 4.340 -0.024 0.000 0.210 252 L C 2.565 179.412 176.870 -0.039 0.000 1.092 252 L CA 1.203 56.008 54.840 -0.059 0.000 0.759 252 L CB -0.315 41.700 42.059 -0.073 0.000 0.903 252 L HN 0.249 nan 8.230 nan 0.000 0.435 253 Q N -0.532 119.247 119.800 -0.035 0.000 2.364 253 Q HA -0.214 4.112 4.340 -0.024 0.000 0.207 253 Q C 1.860 177.855 176.000 -0.008 0.000 0.970 253 Q CA 0.815 56.609 55.803 -0.014 0.000 0.888 253 Q CB 0.081 28.813 28.738 -0.010 0.000 0.951 253 Q HN 0.388 nan 8.270 nan 0.000 0.469 254 E N 0.575 120.765 120.200 -0.017 0.000 2.107 254 E HA -0.101 4.234 4.350 -0.024 0.000 0.191 254 E C 1.770 178.364 176.600 -0.011 0.000 0.982 254 E CA 1.123 57.516 56.400 -0.012 0.000 0.809 254 E CB -0.076 29.613 29.700 -0.017 0.000 0.756 254 E HN 0.374 nan 8.360 nan 0.000 0.459 255 A N 0.278 123.086 122.820 -0.020 0.000 1.969 255 A HA -0.112 4.194 4.320 -0.024 0.000 0.218 255 A C 2.162 179.737 177.584 -0.015 0.000 1.169 255 A CA 0.930 52.952 52.037 -0.025 0.000 0.635 255 A CB -0.532 18.444 19.000 -0.040 0.000 0.810 255 A HN 0.236 nan 8.150 nan 0.000 0.445 256 I N -0.982 119.587 120.570 -0.002 0.000 2.179 256 I HA -0.246 3.910 4.170 -0.024 0.000 0.242 256 I C 2.700 178.847 176.117 0.051 0.000 1.088 256 I CA 1.588 62.907 61.300 0.032 0.000 1.357 256 I CB -0.357 37.668 38.000 0.042 0.000 1.051 256 I HN 0.378 nan 8.210 nan 0.000 0.409 257 R N 1.164 121.682 120.500 0.031 0.000 2.105 257 R HA -0.226 4.099 4.340 -0.024 0.000 0.239 257 R C 2.080 178.399 176.300 0.033 0.000 1.135 257 R CA 1.703 57.822 56.100 0.031 0.000 0.967 257 R CB -0.116 30.195 30.300 0.017 0.000 0.861 257 R HN 0.470 nan 8.270 nan 0.000 0.442 258 Q N -1.184 118.628 119.800 0.021 0.000 2.472 258 Q HA 0.079 4.405 4.340 -0.024 0.000 0.208 258 Q C 0.816 176.832 176.000 0.028 0.000 0.958 258 Q CA 0.586 56.399 55.803 0.017 0.000 0.932 258 Q CB 0.602 29.341 28.738 0.001 0.000 1.007 258 Q HN 0.664 nan 8.270 nan 0.000 0.508 259 G N 0.968 109.797 108.800 0.049 0.000 2.137 259 G HA2 -0.303 3.643 3.960 -0.024 0.000 0.237 259 G HA3 -0.303 3.643 3.960 -0.024 0.000 0.237 259 G C 0.466 175.353 174.900 -0.023 0.000 1.002 259 G CA 0.462 45.611 45.100 0.083 0.000 0.702 259 G HN 0.425 nan 8.290 nan 0.000 0.515 260 E N -0.625 119.536 120.200 -0.065 0.000 2.112 260 E HA 0.174 4.509 4.350 -0.024 0.000 0.190 260 E C 1.466 177.917 176.600 -0.248 0.000 0.979 260 E CA 1.301 57.630 56.400 -0.119 0.000 0.814 260 E CB 0.099 29.750 29.700 -0.082 0.000 0.762 260 E HN 0.893 nan 8.360 nan 0.000 0.460 261 I N -4.627 115.784 120.570 -0.265 0.000 2.994 261 I HA 0.292 4.447 4.170 -0.024 0.000 0.306 261 I C -0.165 175.767 176.117 -0.308 0.000 1.195 261 I CA -0.860 60.196 61.300 -0.407 0.000 1.001 261 I CB 1.321 39.203 38.000 -0.197 0.000 1.244 261 I HN -0.213 nan 8.210 nan 0.000 0.437 262 F N 0.126 120.068 119.950 -0.015 0.000 2.653 262 F HA 0.364 4.878 4.527 -0.021 0.000 0.288 262 F C 0.917 176.710 175.800 -0.012 0.000 1.121 262 F CA -0.142 57.849 58.000 -0.015 0.000 1.384 262 F CB 0.693 39.681 39.000 -0.019 0.000 1.115 262 F HN 0.540 nan 8.300 nan 0.000 0.599 263 Q N 0.658 120.514 119.800 0.093 0.000 2.435 263 Q HA 0.596 4.922 4.340 -0.024 0.000 0.282 263 Q C -2.017 173.989 176.000 0.010 0.000 1.020 263 Q CA -0.615 55.223 55.803 0.058 0.000 0.820 263 Q CB 3.305 32.087 28.738 0.072 0.000 1.436 263 Q HN -0.064 nan 8.270 nan 0.000 0.395 264 V N 2.221 122.145 119.914 0.016 0.000 3.120 264 V HA 0.583 4.689 4.120 -0.024 0.000 0.303 264 V C -1.810 174.304 176.094 0.033 0.000 1.238 264 V CA -0.459 61.846 62.300 0.009 0.000 1.008 264 V CB 2.588 34.404 31.823 -0.013 0.000 1.064 264 V HN 0.614 nan 8.190 nan 0.000 0.434 265 V N 6.927 126.869 119.914 0.047 0.000 2.235 265 V HA 0.418 4.524 4.120 -0.024 0.000 0.266 265 V C -2.238 173.916 176.094 0.100 0.000 1.055 265 V CA -1.246 61.104 62.300 0.083 0.000 0.844 265 V CB 0.850 32.725 31.823 0.086 0.000 1.097 265 V HN 0.809 nan 8.190 nan 0.000 0.453 266 P HA 0.333 nan 4.420 nan 0.000 0.278 266 P C -0.278 177.166 177.300 0.239 0.000 1.238 266 P CA 0.184 63.337 63.100 0.088 0.000 0.794 266 P CB 1.790 33.464 31.700 -0.043 0.000 0.955 267 S N 2.064 117.859 115.700 0.158 0.000 2.634 267 S HA 0.837 5.293 4.470 -0.024 0.000 0.296 267 S C -0.394 174.173 174.600 -0.055 0.000 1.104 267 S CA -0.893 57.334 58.200 0.046 0.000 0.920 267 S CB 2.250 65.343 63.200 -0.178 0.000 1.111 267 S HN 0.643 nan 8.310 nan 0.000 0.493 268 R N 0.085 120.426 120.500 -0.265 0.000 2.867 268 R HA 0.667 4.993 4.340 -0.024 0.000 0.268 268 R C -1.257 174.753 176.300 -0.482 0.000 1.014 268 R CA -1.186 54.700 56.100 -0.357 0.000 0.946 268 R CB 1.364 31.388 30.300 -0.460 0.000 1.208 268 R HN 0.634 nan 8.270 nan 0.000 0.477 269 R N 1.510 121.736 120.500 -0.455 0.000 2.288 269 R HA 0.314 4.640 4.340 -0.024 0.000 0.326 269 R C -0.979 175.079 176.300 -0.403 0.000 0.959 269 R CA -0.423 55.448 56.100 -0.382 0.000 0.834 269 R CB 0.838 30.977 30.300 -0.269 0.000 1.157 269 R HN 0.376 nan 8.270 nan 0.000 0.470 270 F N 0.539 120.375 119.950 -0.190 0.000 2.380 270 F HA 0.324 4.838 4.527 -0.022 0.000 0.325 270 F C 1.092 176.800 175.800 -0.154 0.000 1.136 270 F CA 0.173 58.070 58.000 -0.172 0.000 1.171 270 F CB 1.591 40.475 39.000 -0.192 0.000 1.230 270 F HN 0.292 nan 8.300 nan 0.000 0.554 271 S N 2.193 117.938 115.700 0.075 0.000 2.541 271 S HA 0.851 5.307 4.470 -0.024 0.000 0.271 271 S C -1.419 173.209 174.600 0.046 0.000 1.133 271 S CA -0.563 57.664 58.200 0.046 0.000 0.876 271 S CB 0.849 64.145 63.200 0.160 0.000 1.105 271 S HN 0.575 nan 8.310 nan 0.000 0.470 272 L N 3.062 124.331 121.223 0.077 0.000 2.506 272 L HA 0.518 4.844 4.340 -0.024 0.000 0.257 272 L C -2.667 174.275 176.870 0.121 0.000 0.964 272 L CA -2.202 52.666 54.840 0.047 0.000 0.836 272 L CB 2.845 44.887 42.059 -0.029 0.000 1.384 272 L HN 0.462 nan 8.230 nan 0.000 0.410 273 P HA 0.097 nan 4.420 nan 0.000 0.271 273 P C -0.883 176.381 177.300 -0.061 0.000 1.218 273 P CA -0.326 62.793 63.100 0.032 0.000 0.780 273 P CB 0.698 32.383 31.700 -0.024 0.000 0.901 274 C N 5.455 124.748 119.300 -0.010 0.000 3.432 274 C HA 0.285 4.731 4.460 -0.024 0.000 0.242 274 C C -1.557 173.526 174.990 0.154 0.000 1.152 274 C CA -1.486 57.532 59.018 0.000 0.000 1.242 274 C CB -0.168 27.682 27.740 0.183 0.000 1.802 274 C HN 0.525 nan 8.230 nan 0.000 0.577 275 P HA 0.061 nan 4.420 nan 0.000 0.226 275 P C 0.412 177.882 177.300 0.284 0.000 1.153 275 P CA 0.985 64.214 63.100 0.215 0.000 0.777 275 P CB 0.265 32.071 31.700 0.177 0.000 0.794 276 A N 1.178 124.269 122.820 0.452 0.000 2.923 276 A HA 0.429 4.735 4.320 -0.024 0.000 0.343 276 A C -1.548 176.165 177.584 0.215 0.000 1.199 276 A CA -1.450 50.725 52.037 0.229 0.000 0.878 276 A CB 0.476 19.497 19.000 0.036 0.000 1.104 276 A HN 0.008 nan 8.150 nan 0.000 0.483 277 P HA -0.177 nan 4.420 nan 0.000 0.217 277 P C 1.661 178.983 177.300 0.036 0.000 1.151 277 P CA 0.549 63.800 63.100 0.251 0.000 0.828 277 P CB 0.260 32.209 31.700 0.416 0.000 0.788 278 L N -0.092 121.166 121.223 0.058 0.000 2.042 278 L HA -0.118 4.208 4.340 -0.024 0.000 0.210 278 L C 2.538 179.226 176.870 -0.303 0.000 1.076 278 L CA 2.221 56.844 54.840 -0.362 0.000 0.749 278 L CB -1.279 40.554 42.059 -0.377 0.000 0.893 278 L HN 0.013 nan 8.230 nan 0.000 0.432 279 G N -0.166 108.505 108.800 -0.216 0.000 2.418 279 G HA2 -0.207 3.739 3.960 -0.024 0.000 0.217 279 G HA3 -0.207 3.739 3.960 -0.024 0.000 0.217 279 G C -0.852 173.911 174.900 -0.229 0.000 1.158 279 G CA 0.736 45.697 45.100 -0.232 0.000 0.771 279 G HN 0.383 nan 8.290 nan 0.000 0.545 280 P HA -0.111 nan 4.420 nan 0.000 0.218 280 P C 1.359 178.523 177.300 -0.226 0.000 1.149 280 P CA 0.722 63.760 63.100 -0.104 0.000 0.817 280 P CB -0.068 31.686 31.700 0.091 0.000 0.785 281 Y N 1.115 121.008 120.300 -0.680 0.000 2.163 281 Y HA -0.224 4.312 4.550 -0.023 0.000 0.288 281 Y C 2.504 178.240 175.900 -0.274 0.000 1.136 281 Y CA 1.675 59.422 58.100 -0.589 0.000 1.147 281 Y CB -1.020 37.062 38.460 -0.630 0.000 0.987 281 Y HN -0.157 nan 8.280 nan 0.000 0.509 282 Q N 0.144 119.670 119.800 -0.456 0.000 2.061 282 Q HA -0.149 4.177 4.340 -0.024 0.000 0.204 282 Q C 2.096 177.904 176.000 -0.319 0.000 0.984 282 Q CA 2.865 58.404 55.803 -0.440 0.000 0.846 282 Q CB -0.884 27.675 28.738 -0.298 0.000 0.902 282 Q HN 0.499 nan 8.270 nan 0.000 0.421 283 T N 1.046 115.464 114.554 -0.227 0.000 2.746 283 T HA -0.134 4.202 4.350 -0.024 0.000 0.267 283 T C 1.612 176.254 174.700 -0.097 0.000 1.039 283 T CA 1.165 63.180 62.100 -0.141 0.000 1.142 283 T CB -0.383 68.426 68.868 -0.098 0.000 0.866 283 T HN 0.240 nan 8.240 nan 0.000 0.444 284 L N 1.319 122.491 121.223 -0.084 0.000 2.017 284 L HA -0.043 4.282 4.340 -0.024 0.000 0.208 284 L C 2.241 179.066 176.870 -0.075 0.000 1.073 284 L CA 1.824 56.663 54.840 -0.003 0.000 0.745 284 L CB -0.520 41.611 42.059 0.120 0.000 0.894 284 L HN 0.094 nan 8.230 nan 0.000 0.432 285 K N -0.594 119.654 120.400 -0.252 0.000 2.063 285 K HA -0.191 4.115 4.320 -0.024 0.000 0.208 285 K C 1.764 178.280 176.600 -0.140 0.000 1.048 285 K CA 1.680 57.820 56.287 -0.244 0.000 0.928 285 K CB -0.301 31.939 32.500 -0.433 0.000 0.713 285 K HN 0.412 nan 8.250 nan 0.000 0.442 286 D N 0.204 120.517 120.400 -0.145 0.000 2.149 286 D HA -0.073 4.553 4.640 -0.024 0.000 0.201 286 D C 1.533 177.798 176.300 -0.057 0.000 0.972 286 D CA 0.895 54.835 54.000 -0.101 0.000 0.835 286 D CB -0.124 40.609 40.800 -0.111 0.000 0.966 286 D HN 0.178 nan 8.370 nan 0.000 0.476 287 N N 0.353 119.034 118.700 -0.031 0.000 2.415 287 N HA -0.048 4.678 4.740 -0.024 0.000 0.176 287 N C 0.339 175.867 175.510 0.029 0.000 1.042 287 N CA 0.318 53.370 53.050 0.003 0.000 0.902 287 N CB 0.445 38.960 38.487 0.046 0.000 0.986 287 N HN 0.194 nan 8.380 nan 0.000 0.447 288 N N 0.897 119.631 118.700 0.056 0.000 2.672 288 N HA 0.142 4.868 4.740 -0.024 0.000 0.295 288 N C -2.881 172.708 175.510 0.131 0.000 1.924 288 N CA -1.267 51.854 53.050 0.118 0.000 0.851 288 N CB 1.148 39.745 38.487 0.184 0.000 1.281 288 N HN -0.083 nan 8.380 nan 0.000 0.494 289 P HA 0.028 nan 4.420 nan 0.000 0.264 289 P C -0.723 176.698 177.300 0.202 0.000 1.183 289 P CA 0.445 63.596 63.100 0.084 0.000 0.763 289 P CB 1.159 32.874 31.700 0.026 0.000 0.807 290 S N 3.774 119.605 115.700 0.218 0.000 2.627 290 S HA 0.460 4.916 4.470 -0.024 0.000 0.283 290 S C -1.770 172.972 174.600 0.237 0.000 1.127 290 S CA -1.183 57.222 58.200 0.341 0.000 0.863 290 S CB 1.922 65.301 63.200 0.298 0.000 1.121 290 S HN 0.341 nan 8.310 nan 0.000 0.479 291 P HA -0.067 nan 4.420 nan 0.000 0.218 291 P C -0.620 176.611 177.300 -0.115 0.000 1.149 291 P CA 1.405 64.526 63.100 0.036 0.000 0.817 291 P CB -0.004 31.706 31.700 0.015 0.000 0.785 292 Y N -0.513 119.912 120.300 0.208 0.000 2.338 292 Y HA 0.510 5.047 4.550 -0.022 0.000 0.333 292 Y C 0.561 176.676 175.900 0.358 0.000 0.968 292 Y CA -0.731 57.539 58.100 0.284 0.000 1.123 292 Y CB 1.586 40.221 38.460 0.291 0.000 1.165 292 Y HN -0.265 nan 8.280 nan 0.000 0.452 293 M N 5.473 125.375 119.600 0.503 0.000 2.393 293 M HA 0.639 5.104 4.480 -0.024 0.000 0.299 293 M C -1.478 175.120 176.300 0.497 0.000 1.103 293 M CA -0.709 54.838 55.300 0.411 0.000 0.910 293 M CB 2.203 34.992 32.600 0.316 0.000 1.659 293 M HN 0.568 nan 8.290 nan 0.000 0.445 294 F N 0.417 120.575 119.950 0.348 0.000 2.631 294 F HA 0.821 5.333 4.527 -0.024 0.000 0.308 294 F C -1.977 173.689 175.800 -0.223 0.000 1.097 294 F CA -1.291 56.773 58.000 0.106 0.000 0.952 294 F CB 1.294 40.377 39.000 0.138 0.000 1.307 294 F HN 0.461 nan 8.300 nan 0.000 0.450 295 F N 4.263 124.008 119.950 -0.342 0.000 2.671 295 F HA 0.570 5.085 4.527 -0.021 0.000 0.332 295 F C -1.327 174.365 175.800 -0.180 0.000 1.189 295 F CA -0.787 56.908 58.000 -0.509 0.000 0.988 295 F CB 1.734 40.131 39.000 -1.005 0.000 1.258 295 F HN 0.776 nan 8.300 nan 0.000 0.471 296 M N 6.687 126.140 119.600 -0.245 0.000 2.167 296 M HA 0.398 4.863 4.480 -0.024 0.000 0.333 296 M C -1.436 174.732 176.300 -0.220 0.000 1.030 296 M CA -0.431 54.834 55.300 -0.059 0.000 0.963 296 M CB 1.358 34.003 32.600 0.075 0.000 1.589 296 M HN 0.732 nan 8.290 nan 0.000 0.431 297 Q N 4.085 123.861 119.800 -0.039 0.000 2.462 297 Q HA 0.274 4.600 4.340 -0.024 0.000 0.247 297 Q C -1.600 174.342 176.000 -0.097 0.000 1.044 297 Q CA -0.449 55.315 55.803 -0.064 0.000 0.803 297 Q CB 1.085 29.965 28.738 0.236 0.000 1.190 297 Q HN 0.796 nan 8.270 nan 0.000 0.507 298 D N 1.319 121.525 120.400 -0.323 0.000 2.326 298 D HA 0.123 4.748 4.640 -0.024 0.000 0.251 298 D C 0.298 176.405 176.300 -0.321 0.000 1.023 298 D CA -0.378 53.382 54.000 -0.400 0.000 0.966 298 D CB 1.368 41.541 40.800 -1.045 0.000 1.156 298 D HN 0.433 nan 8.370 nan 0.000 0.494 299 D N 0.010 120.284 120.400 -0.210 0.000 2.133 299 D HA -0.132 4.493 4.640 -0.024 0.000 0.195 299 D C 0.531 176.774 176.300 -0.094 0.000 0.997 299 D CA 1.256 55.188 54.000 -0.113 0.000 0.840 299 D CB 0.048 40.820 40.800 -0.047 0.000 0.947 299 D HN 0.399 nan 8.370 nan 0.000 0.452 300 D N -1.337 118.988 120.400 -0.125 0.000 2.369 300 D HA 0.171 4.797 4.640 -0.024 0.000 0.211 300 D C 0.224 176.619 176.300 0.158 0.000 1.077 300 D CA 0.018 54.057 54.000 0.065 0.000 0.842 300 D CB 0.627 41.580 40.800 0.253 0.000 0.947 300 D HN 0.294 nan 8.370 nan 0.000 0.509 301 F N -2.453 117.465 119.950 -0.054 0.000 2.900 301 F HA 0.481 4.996 4.527 -0.021 0.000 0.321 301 F C -1.361 174.325 175.800 -0.189 0.000 1.160 301 F CA -1.146 56.731 58.000 -0.205 0.000 0.890 301 F CB 0.901 39.664 39.000 -0.395 0.000 1.334 301 F HN -0.434 nan 8.300 nan 0.000 0.459 302 T N 3.022 117.547 114.554 -0.048 0.000 2.848 302 T HA 0.618 4.954 4.350 -0.024 0.000 0.285 302 T C -1.621 173.056 174.700 -0.038 0.000 0.995 302 T CA -0.527 61.490 62.100 -0.139 0.000 0.970 302 T CB 1.546 70.313 68.868 -0.167 0.000 0.976 302 T HN 0.787 nan 8.240 nan 0.000 0.441 303 L N 5.589 126.806 121.223 -0.010 0.000 2.376 303 L HA 0.775 5.100 4.340 -0.024 0.000 0.275 303 L C -1.579 175.318 176.870 0.046 0.000 0.987 303 L CA -0.908 53.986 54.840 0.090 0.000 0.828 303 L CB 0.926 43.171 42.059 0.311 0.000 1.249 303 L HN 0.769 nan 8.230 nan 0.000 0.409 304 F N 2.736 122.640 119.950 -0.077 0.000 2.626 304 F HA 0.993 5.507 4.527 -0.022 0.000 0.311 304 F C -0.319 175.287 175.800 -0.324 0.000 1.088 304 F CA -0.547 57.284 58.000 -0.281 0.000 0.949 304 F CB 1.879 40.784 39.000 -0.160 0.000 1.322 304 F HN 0.521 nan 8.300 nan 0.000 0.461 305 G N -0.195 108.300 108.800 -0.509 0.000 2.356 305 G HA2 0.663 4.609 3.960 -0.024 0.000 0.294 305 G HA3 0.663 4.609 3.960 -0.024 0.000 0.294 305 G C -2.442 172.250 174.900 -0.346 0.000 1.423 305 G CA -0.434 44.433 45.100 -0.390 0.000 0.806 305 G HN 1.522 nan 8.290 nan 0.000 0.527 306 A N 0.021 122.840 122.820 -0.001 0.000 2.605 306 A HA 0.794 5.099 4.320 -0.024 0.000 0.293 306 A C -0.177 177.514 177.584 0.179 0.000 1.216 306 A CA 0.305 52.422 52.037 0.134 0.000 0.742 306 A CB 1.110 20.195 19.000 0.142 0.000 1.170 306 A HN 1.794 nan 8.150 nan 0.000 0.443 307 S N 3.212 119.091 115.700 0.299 0.000 2.525 307 S HA 0.720 5.176 4.470 -0.024 0.000 0.290 307 S C -1.804 172.890 174.600 0.156 0.000 1.152 307 S CA -1.534 56.798 58.200 0.219 0.000 1.072 307 S CB 1.336 64.709 63.200 0.288 0.000 1.027 307 S HN 0.477 nan 8.310 nan 0.000 0.500 308 P HA 0.178 nan 4.420 nan 0.000 0.257 308 P C -0.253 177.115 177.300 0.113 0.000 1.241 308 P CA 0.290 63.353 63.100 -0.062 0.000 0.816 308 P CB 0.145 31.543 31.700 -0.504 0.000 1.150 309 E N 0.559 120.803 120.200 0.073 0.000 2.145 309 E HA 0.309 4.645 4.350 -0.024 0.000 0.262 309 E C -0.548 176.008 176.600 -0.073 0.000 0.883 309 E CA -0.632 55.801 56.400 0.055 0.000 0.748 309 E CB 0.984 30.709 29.700 0.041 0.000 1.140 309 E HN -0.193 nan 8.360 nan 0.000 0.417 310 S N 2.959 118.616 115.700 -0.071 0.000 2.563 310 S HA 0.222 4.678 4.470 -0.024 0.000 0.284 310 S C 0.697 175.231 174.600 -0.110 0.000 1.331 310 S CA 0.503 58.586 58.200 -0.196 0.000 1.047 310 S CB 1.097 64.330 63.200 0.056 0.000 0.859 310 S HN 0.639 nan 8.310 nan 0.000 0.514 311 A N 4.130 126.861 122.820 -0.148 0.000 1.982 311 A HA 0.509 4.815 4.320 -0.024 0.000 0.217 311 A C -0.083 177.487 177.584 -0.023 0.000 1.457 311 A CA 0.236 52.236 52.037 -0.062 0.000 0.654 311 A CB -0.340 18.647 19.000 -0.022 0.000 1.150 311 A HN 0.616 nan 8.150 nan 0.000 0.509 312 L N -0.076 121.151 121.223 0.007 0.000 2.385 312 L HA 0.510 4.836 4.340 -0.024 0.000 0.273 312 L C -0.469 176.438 176.870 0.062 0.000 0.990 312 L CA -0.258 54.597 54.840 0.025 0.000 0.821 312 L CB 1.819 43.893 42.059 0.025 0.000 1.279 312 L HN 0.388 nan 8.230 nan 0.000 0.412 313 K N 3.498 123.955 120.400 0.095 0.000 2.376 313 K HA 0.481 4.786 4.320 -0.024 0.000 0.257 313 K C -2.129 174.580 176.600 0.181 0.000 0.939 313 K CA -0.626 55.739 56.287 0.129 0.000 0.809 313 K CB 1.616 34.199 32.500 0.138 0.000 1.121 313 K HN 0.519 nan 8.250 nan 0.000 0.425 314 Y N 2.753 123.060 120.300 0.011 0.000 2.396 314 Y HA 0.263 4.800 4.550 -0.023 0.000 0.332 314 Y C -1.637 174.277 175.900 0.024 0.000 1.034 314 Y CA -1.170 56.935 58.100 0.009 0.000 1.057 314 Y CB 1.646 40.100 38.460 -0.011 0.000 1.220 314 Y HN 0.599 nan 8.280 nan 0.000 0.440 315 D N 4.730 124.767 120.400 -0.605 0.000 2.427 315 D HA 0.395 5.021 4.640 -0.024 0.000 0.226 315 D C 0.455 176.261 176.300 -0.823 0.000 1.076 315 D CA 0.220 53.929 54.000 -0.485 0.000 0.849 315 D CB 1.711 42.376 40.800 -0.225 0.000 1.052 315 D HN 0.781 nan 8.370 nan 0.000 0.515 316 A N 3.122 125.554 122.820 -0.646 0.000 2.121 316 A HA 0.076 4.381 4.320 -0.024 0.000 0.218 316 A C 1.939 179.424 177.584 -0.166 0.000 1.154 316 A CA 1.323 53.124 52.037 -0.394 0.000 0.679 316 A CB -0.295 18.692 19.000 -0.021 0.000 0.795 316 A HN 0.607 nan 8.150 nan 0.000 0.458 317 G N 1.282 109.997 108.800 -0.142 0.000 2.433 317 G HA2 -0.276 3.670 3.960 -0.024 0.000 0.216 317 G HA3 -0.276 3.670 3.960 -0.024 0.000 0.216 317 G C 1.155 176.022 174.900 -0.054 0.000 1.186 317 G CA 1.042 46.103 45.100 -0.064 0.000 0.779 317 G HN 0.848 nan 8.290 nan 0.000 0.543 318 N N -1.309 117.343 118.700 -0.080 0.000 2.203 318 N HA 0.158 4.883 4.740 -0.024 0.000 0.207 318 N C 0.553 176.041 175.510 -0.036 0.000 1.130 318 N CA -0.301 52.726 53.050 -0.038 0.000 0.861 318 N CB 0.317 38.793 38.487 -0.018 0.000 1.005 318 N HN 0.136 nan 8.380 nan 0.000 0.507 319 R N 0.341 120.774 120.500 -0.113 0.000 3.863 319 R HA -0.222 4.103 4.340 -0.024 0.000 0.313 319 R C -0.472 175.880 176.300 0.087 0.000 1.202 319 R CA 0.685 56.776 56.100 -0.016 0.000 0.852 319 R CB -1.877 28.516 30.300 0.155 0.000 1.292 319 R HN 0.615 nan 8.270 nan 0.000 0.519 320 Q N 1.419 121.194 119.800 -0.042 0.000 2.307 320 Q HA 0.440 4.766 4.340 -0.024 0.000 0.259 320 Q C -0.385 175.685 176.000 0.116 0.000 0.998 320 Q CA -0.082 55.752 55.803 0.052 0.000 0.923 320 Q CB 0.772 29.528 28.738 0.030 0.000 1.196 320 Q HN 0.375 nan 8.270 nan 0.000 0.416 321 I N 3.296 123.989 120.570 0.205 0.000 2.562 321 I HA 0.417 4.573 4.170 -0.024 0.000 0.301 321 I C -1.051 175.117 176.117 0.086 0.000 1.003 321 I CA -0.585 60.857 61.300 0.237 0.000 1.127 321 I CB 1.533 39.664 38.000 0.219 0.000 1.304 321 I HN 0.771 nan 8.210 nan 0.000 0.446 322 E N 6.753 126.998 120.200 0.075 0.000 2.340 322 E HA 0.555 4.890 4.350 -0.024 0.000 0.273 322 E C -1.392 175.234 176.600 0.043 0.000 0.891 322 E CA -0.729 55.697 56.400 0.042 0.000 0.757 322 E CB 3.048 32.794 29.700 0.076 0.000 1.231 322 E HN 0.431 nan 8.360 nan 0.000 0.439 323 I N 1.697 122.284 120.570 0.027 0.000 2.608 323 I HA 0.278 4.434 4.170 -0.024 0.000 0.295 323 I C -1.344 174.835 176.117 0.103 0.000 1.049 323 I CA -0.900 60.419 61.300 0.033 0.000 1.063 323 I CB 1.665 39.642 38.000 -0.037 0.000 1.248 323 I HN 0.586 nan 8.210 nan 0.000 0.424 324 Y N 7.724 128.016 120.300 -0.015 0.000 2.837 324 Y HA 0.367 4.902 4.550 -0.025 0.000 0.356 324 Y C -2.277 173.624 175.900 0.001 0.000 1.035 324 Y CA -2.399 55.712 58.100 0.018 0.000 1.165 324 Y CB 0.886 39.384 38.460 0.064 0.000 1.147 324 Y HN 0.260 nan 8.280 nan 0.000 0.628 325 P HA 0.133 nan 4.420 nan 0.000 0.271 325 P C -0.437 176.826 177.300 -0.062 0.000 1.233 325 P CA 0.615 63.667 63.100 -0.080 0.000 0.764 325 P CB 1.261 32.863 31.700 -0.163 0.000 0.825 326 I N 3.085 123.650 120.570 -0.008 0.000 2.362 326 I HA 0.592 4.747 4.170 -0.024 0.000 0.289 326 I C 0.026 176.143 176.117 0.001 0.000 0.994 326 I CA -0.703 60.608 61.300 0.020 0.000 1.158 326 I CB 1.793 39.767 38.000 -0.043 0.000 1.315 326 I HN 0.360 nan 8.210 nan 0.000 0.451 327 A N 4.935 127.843 122.820 0.147 0.000 2.509 327 A HA 0.775 5.081 4.320 -0.024 0.000 0.282 327 A C -0.338 177.407 177.584 0.268 0.000 1.054 327 A CA -0.204 51.918 52.037 0.143 0.000 0.820 327 A CB 1.232 20.244 19.000 0.020 0.000 1.333 327 A HN 1.067 nan 8.150 nan 0.000 0.409 328 G N 1.325 110.250 108.800 0.208 0.000 3.088 328 G HA2 0.526 4.472 3.960 -0.024 0.000 0.620 328 G HA3 0.526 4.472 3.960 -0.024 0.000 0.620 328 G C -0.837 174.235 174.900 0.287 0.000 1.375 328 G CA -0.100 45.124 45.100 0.207 0.000 1.016 328 G HN 1.271 nan 8.290 nan 0.000 0.590 329 T N 2.828 117.526 114.554 0.240 0.000 2.916 329 T HA 0.895 5.230 4.350 -0.024 0.000 0.305 329 T C -0.422 174.350 174.700 0.121 0.000 1.119 329 T CA -0.931 61.311 62.100 0.237 0.000 1.008 329 T CB 2.205 71.244 68.868 0.285 0.000 1.129 329 T HN 0.697 nan 8.240 nan 0.000 0.480 330 R N 1.157 121.694 120.500 0.062 0.000 2.680 330 R HA 0.508 4.834 4.340 -0.024 0.000 0.269 330 R C -3.111 173.209 176.300 0.034 0.000 1.026 330 R CA -2.089 54.042 56.100 0.052 0.000 0.889 330 R CB 1.754 32.082 30.300 0.047 0.000 1.241 330 R HN 0.369 nan 8.270 nan 0.000 0.463 331 P HA 0.209 nan 4.420 nan 0.000 0.273 331 P C -0.372 176.951 177.300 0.039 0.000 1.250 331 P CA -0.475 62.664 63.100 0.064 0.000 0.793 331 P CB 0.571 32.315 31.700 0.073 0.000 1.011 332 R N 0.149 120.668 120.500 0.031 0.000 2.500 332 R HA 0.449 4.775 4.340 -0.024 0.000 0.275 332 R C 0.639 176.939 176.300 0.001 0.000 1.051 332 R CA -0.481 55.617 56.100 -0.003 0.000 1.088 332 R CB 0.043 30.317 30.300 -0.043 0.000 1.063 332 R HN 0.597 nan 8.270 nan 0.000 0.511 333 G N 2.600 111.395 108.800 -0.008 0.000 2.365 333 G HA2 0.263 4.209 3.960 -0.024 0.000 0.293 333 G HA3 0.263 4.209 3.960 -0.024 0.000 0.293 333 G C -0.153 174.739 174.900 -0.013 0.000 1.128 333 G CA -0.417 44.680 45.100 -0.004 0.000 0.971 333 G HN 0.177 nan 8.290 nan 0.000 0.422 334 R N 1.704 122.200 120.500 -0.006 0.000 2.686 334 R HA 0.397 4.722 4.340 -0.024 0.000 0.286 334 R C 0.234 176.532 176.300 -0.004 0.000 0.969 334 R CA -0.805 55.288 56.100 -0.012 0.000 0.898 334 R CB 2.619 32.912 30.300 -0.012 0.000 1.183 334 R HN 0.842 nan 8.270 nan 0.000 0.456 335 R N 0.313 120.809 120.500 -0.008 0.000 2.549 335 R HA 0.543 4.869 4.340 -0.024 0.000 0.259 335 R C 1.001 177.301 176.300 0.000 0.000 1.095 335 R CA -0.245 55.853 56.100 -0.003 0.000 1.148 335 R CB 0.324 30.621 30.300 -0.005 0.000 1.181 335 R HN 0.565 nan 8.270 nan 0.000 0.571 336 A N 0.980 123.802 122.820 0.003 0.000 1.917 336 A HA -0.278 4.027 4.320 -0.024 0.000 0.219 336 A C 1.506 179.092 177.584 0.003 0.000 1.182 336 A CA 2.126 54.166 52.037 0.005 0.000 0.633 336 A CB -1.104 17.899 19.000 0.005 0.000 0.819 336 A HN 0.954 nan 8.150 nan 0.000 0.448 337 D N -2.307 118.092 120.400 -0.002 0.000 2.378 337 D HA 0.240 4.865 4.640 -0.024 0.000 0.222 337 D C 1.236 177.532 176.300 -0.008 0.000 0.980 337 D CA 1.281 55.279 54.000 -0.005 0.000 0.907 337 D CB -0.569 40.227 40.800 -0.007 0.000 0.899 337 D HN 0.926 nan 8.370 nan 0.000 0.527 338 G N -0.334 108.460 108.800 -0.009 0.000 2.213 338 G HA2 -0.287 3.659 3.960 -0.024 0.000 0.236 338 G HA3 -0.287 3.659 3.960 -0.024 0.000 0.236 338 G C 0.488 175.368 174.900 -0.033 0.000 0.991 338 G CA 0.329 45.419 45.100 -0.017 0.000 0.629 338 G HN 0.852 nan 8.290 nan 0.000 0.517 339 S N 0.278 115.961 115.700 -0.028 0.000 2.589 339 S HA 0.606 5.062 4.470 -0.024 0.000 0.265 339 S C 0.320 174.897 174.600 -0.037 0.000 1.342 339 S CA -0.314 57.865 58.200 -0.034 0.000 1.005 339 S CB 1.890 65.075 63.200 -0.026 0.000 0.909 339 S HN 1.152 nan 8.310 nan 0.000 0.555 340 L N 1.845 123.042 121.223 -0.044 0.000 2.360 340 L HA 0.340 4.666 4.340 -0.024 0.000 0.276 340 L C -0.077 176.775 176.870 -0.030 0.000 1.121 340 L CA 0.201 55.015 54.840 -0.043 0.000 0.845 340 L CB 0.496 42.524 42.059 -0.052 0.000 1.143 340 L HN 0.794 nan 8.230 nan 0.000 0.452 341 D N 4.703 125.089 120.400 -0.024 0.000 2.411 341 D HA 0.097 4.722 4.640 -0.024 0.000 0.225 341 D C 1.172 177.462 176.300 -0.017 0.000 1.156 341 D CA -0.073 53.917 54.000 -0.016 0.000 0.874 341 D CB 0.618 41.412 40.800 -0.010 0.000 1.034 341 D HN 0.588 nan 8.370 nan 0.000 0.502 342 L N 2.831 124.044 121.223 -0.018 0.000 2.012 342 L HA -0.181 4.144 4.340 -0.024 0.000 0.210 342 L C 1.960 178.823 176.870 -0.012 0.000 1.073 342 L CA 1.425 56.255 54.840 -0.017 0.000 0.748 342 L CB -0.291 41.758 42.059 -0.017 0.000 0.891 342 L HN 0.407 nan 8.230 nan 0.000 0.431 343 D N -0.169 120.226 120.400 -0.009 0.000 2.097 343 D HA -0.219 4.406 4.640 -0.024 0.000 0.195 343 D C 2.090 178.387 176.300 -0.004 0.000 0.989 343 D CA 0.865 54.862 54.000 -0.006 0.000 0.827 343 D CB 0.086 40.884 40.800 -0.004 0.000 0.966 343 D HN 0.128 nan 8.370 nan 0.000 0.456 344 L N 0.629 121.850 121.223 -0.004 0.000 2.046 344 L HA -0.097 4.228 4.340 -0.024 0.000 0.208 344 L C 1.682 178.551 176.870 -0.000 0.000 1.077 344 L CA 2.005 56.845 54.840 -0.000 0.000 0.747 344 L CB -0.912 41.147 42.059 0.000 0.000 0.896 344 L HN 0.041 nan 8.230 nan 0.000 0.432 345 D N -1.106 119.290 120.400 -0.005 0.000 2.149 345 D HA -0.226 4.400 4.640 -0.024 0.000 0.198 345 D C 2.328 178.626 176.300 -0.004 0.000 0.990 345 D CA 1.454 55.450 54.000 -0.007 0.000 0.839 345 D CB -0.026 40.764 40.800 -0.017 0.000 0.948 345 D HN 0.597 nan 8.370 nan 0.000 0.460 346 S N -0.451 115.246 115.700 -0.004 0.000 2.383 346 S HA -0.132 4.323 4.470 -0.024 0.000 0.227 346 S C 2.015 176.617 174.600 0.002 0.000 1.026 346 S CA 0.497 58.696 58.200 -0.002 0.000 0.981 346 S CB -0.326 62.872 63.200 -0.003 0.000 0.818 346 S HN 0.255 nan 8.310 nan 0.000 0.472 347 R N 0.636 121.137 120.500 0.003 0.000 2.090 347 R HA 0.204 4.530 4.340 -0.024 0.000 0.228 347 R C 2.322 178.628 176.300 0.010 0.000 1.110 347 R CA 1.375 57.479 56.100 0.006 0.000 0.973 347 R CB -0.596 29.707 30.300 0.006 0.000 0.869 347 R HN 0.460 nan 8.270 nan 0.000 0.440 348 I N 1.067 121.643 120.570 0.011 0.000 2.286 348 I HA -0.270 3.886 4.170 -0.024 0.000 0.248 348 I C 2.661 178.789 176.117 0.019 0.000 1.115 348 I CA 1.310 62.620 61.300 0.016 0.000 1.392 348 I CB -0.303 37.706 38.000 0.017 0.000 1.065 348 I HN 0.281 nan 8.210 nan 0.000 0.418 349 E N 1.308 121.516 120.200 0.014 0.000 2.077 349 E HA -0.248 4.087 4.350 -0.024 0.000 0.193 349 E C 2.385 178.993 176.600 0.015 0.000 0.989 349 E CA 1.093 57.502 56.400 0.015 0.000 0.800 349 E CB 0.013 29.719 29.700 0.009 0.000 0.746 349 E HN 0.467 nan 8.360 nan 0.000 0.452 350 L N 1.130 122.360 121.223 0.012 0.000 2.056 350 L HA -0.165 4.160 4.340 -0.024 0.000 0.207 350 L C 2.638 179.518 176.870 0.017 0.000 1.078 350 L CA 1.549 56.396 54.840 0.011 0.000 0.749 350 L CB -0.478 41.586 42.059 0.008 0.000 0.901 350 L HN 0.307 nan 8.230 nan 0.000 0.433 351 E N 0.245 120.457 120.200 0.019 0.000 2.085 351 E HA -0.321 4.014 4.350 -0.024 0.000 0.194 351 E C 2.171 178.791 176.600 0.034 0.000 0.994 351 E CA 1.974 58.389 56.400 0.025 0.000 0.801 351 E CB -0.212 29.504 29.700 0.025 0.000 0.743 351 E HN 0.543 nan 8.360 nan 0.000 0.453 352 M N 0.116 119.737 119.600 0.035 0.000 2.099 352 M HA -0.155 4.310 4.480 -0.024 0.000 0.262 352 M C 2.315 178.637 176.300 0.037 0.000 1.067 352 M CA 1.469 56.796 55.300 0.044 0.000 1.124 352 M CB -0.038 32.591 32.600 0.047 0.000 1.353 352 M HN -0.067 nan 8.290 nan 0.000 0.410 353 R N -0.412 120.101 120.500 0.021 0.000 2.152 353 R HA -0.106 4.219 4.340 -0.024 0.000 0.232 353 R C 1.674 177.991 176.300 0.029 0.000 1.117 353 R CA 1.865 57.970 56.100 0.009 0.000 0.981 353 R CB -0.397 29.903 30.300 0.000 0.000 0.870 353 R HN 0.598 nan 8.270 nan 0.000 0.451 354 T N -2.763 111.815 114.554 0.040 0.000 3.054 354 T HA 0.060 4.395 4.350 -0.024 0.000 0.255 354 T C 0.258 175.006 174.700 0.080 0.000 1.035 354 T CA -0.490 61.643 62.100 0.055 0.000 0.941 354 T CB 0.259 69.143 68.868 0.028 0.000 1.026 354 T HN -0.075 nan 8.240 nan 0.000 0.533 355 D N 1.270 121.720 120.400 0.083 0.000 2.371 355 D HA 0.023 4.649 4.640 -0.024 0.000 0.256 355 D C 0.679 177.080 176.300 0.169 0.000 1.193 355 D CA -0.084 53.975 54.000 0.099 0.000 0.881 355 D CB 0.781 41.629 40.800 0.080 0.000 1.143 355 D HN 0.130 nan 8.370 nan 0.000 0.473 356 H N 3.390 122.474 119.070 0.024 0.000 2.457 356 H HA -0.108 4.434 4.556 -0.024 0.000 0.297 356 H C 1.739 177.086 175.328 0.031 0.000 1.092 356 H CA 1.060 57.122 56.048 0.024 0.000 1.309 356 H CB 0.463 30.235 29.762 0.018 0.000 1.382 356 H HN 0.383 nan 8.280 nan 0.000 0.535 357 K N 0.811 121.283 120.400 0.119 0.000 2.007 357 K HA -0.103 4.203 4.320 -0.024 0.000 0.206 357 K C 1.643 178.281 176.600 0.063 0.000 1.047 357 K CA 1.201 57.530 56.287 0.070 0.000 0.937 357 K CB 0.229 32.774 32.500 0.076 0.000 0.718 357 K HN 0.309 nan 8.250 nan 0.000 0.438 358 E N 1.327 121.575 120.200 0.081 0.000 2.106 358 E HA -0.159 4.177 4.350 -0.024 0.000 0.192 358 E C 2.202 178.857 176.600 0.092 0.000 0.984 358 E CA 0.539 56.993 56.400 0.091 0.000 0.806 358 E CB -0.273 29.481 29.700 0.091 0.000 0.750 358 E HN 0.310 nan 8.360 nan 0.000 0.458 359 L N 0.511 121.774 121.223 0.067 0.000 2.046 359 L HA -0.164 4.162 4.340 -0.024 0.000 0.208 359 L C 2.399 179.282 176.870 0.021 0.000 1.077 359 L CA 1.316 56.185 54.840 0.049 0.000 0.747 359 L CB -0.408 41.668 42.059 0.028 0.000 0.896 359 L HN 0.078 nan 8.230 nan 0.000 0.432 360 A N -0.580 122.216 122.820 -0.040 0.000 1.898 360 A HA -0.266 4.039 4.320 -0.024 0.000 0.216 360 A C 2.171 179.756 177.584 0.001 0.000 1.181 360 A CA 1.687 53.689 52.037 -0.057 0.000 0.620 360 A CB -0.528 18.415 19.000 -0.096 0.000 0.819 360 A HN 0.520 nan 8.150 nan 0.000 0.442 361 E N -1.078 119.143 120.200 0.036 0.000 2.058 361 E HA -0.290 4.046 4.350 -0.024 0.000 0.194 361 E C 2.022 178.652 176.600 0.050 0.000 0.997 361 E CA 1.383 57.815 56.400 0.052 0.000 0.801 361 E CB -0.322 29.424 29.700 0.077 0.000 0.746 361 E HN 0.792 nan 8.360 nan 0.000 0.450 362 H N 0.542 119.616 119.070 0.005 0.000 2.307 362 H HA -0.047 4.495 4.556 -0.023 0.000 0.303 362 H C 2.321 177.640 175.328 -0.015 0.000 1.073 362 H CA 1.444 57.491 56.048 -0.001 0.000 1.338 362 H CB -0.079 29.685 29.762 0.005 0.000 1.389 362 H HN 0.207 nan 8.280 nan 0.000 0.503 363 L N 0.452 121.720 121.223 0.076 0.000 2.191 363 L HA -0.185 4.140 4.340 -0.024 0.000 0.212 363 L C 2.987 179.827 176.870 -0.050 0.000 1.103 363 L CA 1.017 55.868 54.840 0.019 0.000 0.769 363 L CB -0.372 41.704 42.059 0.028 0.000 0.908 363 L HN 0.322 nan 8.230 nan 0.000 0.438 364 M N -0.585 118.987 119.600 -0.047 0.000 2.175 364 M HA -0.195 4.271 4.480 -0.024 0.000 0.264 364 M C 1.939 178.206 176.300 -0.054 0.000 1.063 364 M CA 1.681 56.961 55.300 -0.034 0.000 1.119 364 M CB 0.126 32.727 32.600 0.003 0.000 1.377 364 M HN 0.181 nan 8.290 nan 0.000 0.415 365 L N -0.071 121.087 121.223 -0.109 0.000 2.313 365 L HA -0.034 4.292 4.340 -0.024 0.000 0.214 365 L C 2.242 179.004 176.870 -0.180 0.000 1.119 365 L CA 0.863 55.617 54.840 -0.144 0.000 0.809 365 L CB -0.973 40.979 42.059 -0.179 0.000 0.933 365 L HN 0.167 nan 8.230 nan 0.000 0.449 366 V N -0.616 119.171 119.914 -0.212 0.000 2.307 366 V HA -0.238 3.867 4.120 -0.024 0.000 0.245 366 V C 2.175 178.216 176.094 -0.089 0.000 1.045 366 V CA 1.560 63.766 62.300 -0.157 0.000 1.024 366 V CB -0.372 31.390 31.823 -0.102 0.000 0.651 366 V HN 0.348 nan 8.190 nan 0.000 0.449 367 D N -0.017 120.343 120.400 -0.067 0.000 2.144 367 D HA -0.129 4.496 4.640 -0.024 0.000 0.199 367 D C 2.013 178.286 176.300 -0.044 0.000 0.984 367 D CA 0.957 54.931 54.000 -0.044 0.000 0.834 367 D CB -0.210 40.571 40.800 -0.031 0.000 0.955 367 D HN 0.277 nan 8.370 nan 0.000 0.465 368 L N 1.086 122.279 121.223 -0.050 0.000 2.056 368 L HA -0.016 4.310 4.340 -0.024 0.000 0.207 368 L C 2.038 178.865 176.870 -0.073 0.000 1.078 368 L CA 1.736 56.545 54.840 -0.052 0.000 0.749 368 L CB -1.291 40.738 42.059 -0.051 0.000 0.901 368 L HN -0.070 nan 8.230 nan 0.000 0.433 369 A N -0.008 122.760 122.820 -0.086 0.000 1.930 369 A HA -0.188 4.118 4.320 -0.024 0.000 0.217 369 A C 2.368 179.904 177.584 -0.080 0.000 1.175 369 A CA 1.370 53.352 52.037 -0.091 0.000 0.627 369 A CB -0.454 18.486 19.000 -0.100 0.000 0.815 369 A HN 0.502 nan 8.150 nan 0.000 0.443 370 R N -0.227 120.232 120.500 -0.067 0.000 2.096 370 R HA -0.125 4.200 4.340 -0.024 0.000 0.235 370 R C 2.287 178.557 176.300 -0.050 0.000 1.127 370 R CA 1.349 57.417 56.100 -0.053 0.000 0.968 370 R CB -0.396 29.882 30.300 -0.036 0.000 0.861 370 R HN 0.727 nan 8.270 nan 0.000 0.440 371 N N 1.072 119.741 118.700 -0.051 0.000 2.106 371 N HA -0.172 4.553 4.740 -0.024 0.000 0.188 371 N C 0.894 176.363 175.510 -0.069 0.000 1.029 371 N CA 1.645 54.665 53.050 -0.051 0.000 0.848 371 N CB -0.059 38.401 38.487 -0.046 0.000 1.007 371 N HN 0.060 nan 8.380 nan 0.000 0.423 372 D N 0.935 121.284 120.400 -0.085 0.000 2.149 372 D HA -0.080 4.545 4.640 -0.024 0.000 0.198 372 D C 2.066 178.300 176.300 -0.110 0.000 0.990 372 D CA 0.556 54.489 54.000 -0.112 0.000 0.839 372 D CB -0.197 40.524 40.800 -0.132 0.000 0.948 372 D HN 0.332 nan 8.370 nan 0.000 0.460 373 L N 0.168 121.336 121.223 -0.091 0.000 2.131 373 L HA -0.006 4.319 4.340 -0.024 0.000 0.206 373 L C 2.418 179.250 176.870 -0.064 0.000 1.087 373 L CA 0.790 55.582 54.840 -0.080 0.000 0.767 373 L CB -0.426 41.591 42.059 -0.070 0.000 0.917 373 L HN -0.012 nan 8.230 nan 0.000 0.441 374 A N 0.261 123.049 122.820 -0.054 0.000 1.940 374 A HA -0.262 4.044 4.320 -0.024 0.000 0.219 374 A C 2.400 179.952 177.584 -0.054 0.000 1.176 374 A CA 1.717 53.729 52.037 -0.041 0.000 0.631 374 A CB -0.606 18.374 19.000 -0.033 0.000 0.814 374 A HN 0.336 nan 8.150 nan 0.000 0.446 375 R N -0.213 120.244 120.500 -0.070 0.000 2.127 375 R HA -0.142 4.184 4.340 -0.024 0.000 0.238 375 R C 1.236 177.481 176.300 -0.091 0.000 1.134 375 R CA 1.989 58.041 56.100 -0.081 0.000 0.975 375 R CB -0.255 29.986 30.300 -0.098 0.000 0.865 375 R HN 0.691 nan 8.270 nan 0.000 0.447 376 I N -3.736 116.775 120.570 -0.098 0.000 4.240 376 I HA 0.303 4.458 4.170 -0.024 0.000 0.331 376 I C -0.226 175.841 176.117 -0.082 0.000 1.381 376 I CA -0.673 60.562 61.300 -0.108 0.000 1.136 376 I CB 0.269 38.182 38.000 -0.145 0.000 1.137 376 I HN -0.144 nan 8.210 nan 0.000 0.411 377 C N 1.187 120.454 119.300 -0.056 0.000 2.335 377 C HA 0.581 5.027 4.460 -0.024 0.000 0.363 377 C C 0.560 175.540 174.990 -0.015 0.000 1.198 377 C CA -0.304 58.699 59.018 -0.025 0.000 2.279 377 C CB 1.045 28.780 27.740 -0.008 0.000 2.334 377 C HN 0.504 nan 8.230 nan 0.000 0.559 378 Q N 1.587 121.389 119.800 0.004 0.000 2.315 378 Q HA 0.394 4.719 4.340 -0.024 0.000 0.289 378 Q C 0.029 176.033 176.000 0.007 0.000 1.044 378 Q CA 0.312 56.118 55.803 0.005 0.000 0.920 378 Q CB 0.482 29.232 28.738 0.019 0.000 1.214 378 Q HN 0.828 nan 8.270 nan 0.000 0.392 379 A N 3.351 126.171 122.820 -0.000 0.000 2.540 379 A HA 0.449 4.754 4.320 -0.024 0.000 0.239 379 A C 1.248 178.839 177.584 0.012 0.000 1.061 379 A CA 0.523 52.561 52.037 0.002 0.000 0.758 379 A CB -0.740 18.257 19.000 -0.005 0.000 0.991 379 A HN 1.684 nan 8.150 nan 0.000 0.502 380 G N 0.938 109.749 108.800 0.018 0.000 2.176 380 G HA2 -0.282 3.663 3.960 -0.024 0.000 0.253 380 G HA3 -0.282 3.663 3.960 -0.024 0.000 0.253 380 G C 1.220 176.149 174.900 0.048 0.000 0.979 380 G CA 1.273 46.389 45.100 0.026 0.000 0.641 380 G HN 2.086 nan 8.290 nan 0.000 0.530 381 S N -0.274 115.463 115.700 0.060 0.000 2.470 381 S HA 0.255 4.711 4.470 -0.024 0.000 0.222 381 S C 1.179 175.888 174.600 0.182 0.000 1.024 381 S CA 0.848 59.110 58.200 0.103 0.000 0.931 381 S CB 0.109 63.361 63.200 0.085 0.000 0.791 381 S HN 1.143 nan 8.310 nan 0.000 0.513 382 R N 1.332 121.902 120.500 0.117 0.000 2.490 382 R HA 0.536 4.861 4.340 -0.024 0.000 0.280 382 R C -0.587 175.809 176.300 0.159 0.000 1.077 382 R CA -0.550 55.603 56.100 0.088 0.000 1.065 382 R CB -0.281 30.020 30.300 0.002 0.000 1.003 382 R HN 0.569 nan 8.270 nan 0.000 0.470 383 Y N -1.825 118.479 120.300 0.006 0.000 2.638 383 Y HA 0.556 5.092 4.550 -0.023 0.000 0.335 383 Y C -1.430 174.475 175.900 0.008 0.000 1.155 383 Y CA -1.813 56.291 58.100 0.006 0.000 1.046 383 Y CB 0.974 39.440 38.460 0.009 0.000 1.303 383 Y HN 0.249 nan 8.280 nan 0.000 0.460 384 V N 3.072 123.015 119.914 0.050 0.000 2.387 384 V HA 0.369 4.474 4.120 -0.024 0.000 0.260 384 V C 0.928 177.064 176.094 0.070 0.000 1.054 384 V CA 0.591 62.880 62.300 -0.019 0.000 0.967 384 V CB -0.021 31.820 31.823 0.030 0.000 1.036 384 V HN 1.077 nan 8.190 nan 0.000 0.481 385 A N 3.825 126.587 122.820 -0.097 0.000 1.970 385 A HA 0.068 4.374 4.320 -0.024 0.000 0.216 385 A C 0.714 178.352 177.584 0.090 0.000 1.170 385 A CA 0.809 52.891 52.037 0.075 0.000 0.645 385 A CB 0.077 19.037 19.000 -0.066 0.000 0.816 385 A HN 0.710 nan 8.150 nan 0.000 0.447 386 D N -0.802 119.613 120.400 0.025 0.000 2.863 386 D HA 0.452 5.078 4.640 -0.024 0.000 0.245 386 D C -1.724 174.578 176.300 0.003 0.000 1.211 386 D CA -0.235 53.780 54.000 0.024 0.000 0.888 386 D CB 1.939 42.746 40.800 0.012 0.000 1.483 386 D HN 0.107 nan 8.370 nan 0.000 0.533 387 L N 2.597 123.831 121.223 0.020 0.000 2.305 387 L HA 0.312 4.637 4.340 -0.024 0.000 0.284 387 L C 0.139 177.006 176.870 -0.004 0.000 1.013 387 L CA -0.081 54.774 54.840 0.025 0.000 0.819 387 L CB 0.945 43.026 42.059 0.036 0.000 1.227 387 L HN 0.645 nan 8.230 nan 0.000 0.417 388 T N 1.105 115.638 114.554 -0.035 0.000 3.287 388 T HA -0.227 4.109 4.350 -0.024 0.000 0.428 388 T C 0.151 174.794 174.700 -0.096 0.000 0.770 388 T CA 1.135 63.137 62.100 -0.163 0.000 2.165 388 T CB -1.802 66.968 68.868 -0.163 0.000 1.677 388 T HN 0.775 nan 8.240 nan 0.000 0.633 389 K N -0.033 120.328 120.400 -0.066 0.000 2.267 389 K HA 0.792 5.097 4.320 -0.024 0.000 0.236 389 K C -0.136 176.464 176.600 0.001 0.000 1.030 389 K CA -1.127 55.151 56.287 -0.014 0.000 0.930 389 K CB 1.874 34.386 32.500 0.020 0.000 1.182 389 K HN 0.225 nan 8.250 nan 0.000 0.474 390 V N 1.840 121.777 119.914 0.040 0.000 2.531 390 V HA 0.216 4.322 4.120 -0.024 0.000 0.301 390 V C -1.196 174.961 176.094 0.105 0.000 1.034 390 V CA -0.900 61.444 62.300 0.074 0.000 0.865 390 V CB 1.852 33.702 31.823 0.045 0.000 0.995 390 V HN 0.677 nan 8.190 nan 0.000 0.424 391 D N 3.545 124.056 120.400 0.185 0.000 2.185 391 D HA 0.581 5.207 4.640 -0.024 0.000 0.247 391 D C -0.214 176.127 176.300 0.068 0.000 1.027 391 D CA -0.493 53.606 54.000 0.165 0.000 0.861 391 D CB 2.018 43.051 40.800 0.388 0.000 1.202 391 D HN 0.365 nan 8.370 nan 0.000 0.453 392 R N 1.507 121.869 120.500 -0.230 0.000 2.562 392 R HA 0.554 4.880 4.340 -0.024 0.000 0.298 392 R C -0.811 175.049 176.300 -0.733 0.000 0.961 392 R CA -0.633 55.288 56.100 -0.298 0.000 0.881 392 R CB 1.342 31.535 30.300 -0.179 0.000 1.159 392 R HN 0.406 nan 8.270 nan 0.000 0.450 393 Y N -1.018 119.282 120.300 0.000 0.000 2.790 393 Y HA 0.131 4.668 4.550 -0.023 0.000 0.323 393 Y C 1.695 177.563 175.900 -0.053 0.000 1.230 393 Y CA -0.624 57.481 58.100 0.009 0.000 1.121 393 Y CB 1.322 39.822 38.460 0.066 0.000 1.328 393 Y HN 0.659 nan 8.280 nan 0.000 0.514 394 S N -0.423 115.328 115.700 0.085 0.000 2.370 394 S HA -0.180 4.276 4.470 -0.024 0.000 0.226 394 S C 1.061 175.395 174.600 -0.443 0.000 1.033 394 S CA 1.735 59.812 58.200 -0.205 0.000 1.011 394 S CB -0.446 62.620 63.200 -0.222 0.000 0.852 394 S HN 0.582 nan 8.310 nan 0.000 0.457 395 F N 1.283 121.273 119.950 0.067 0.000 2.728 395 F HA 0.446 4.959 4.527 -0.024 0.000 0.314 395 F C 0.368 176.178 175.800 0.015 0.000 1.094 395 F CA -0.263 57.757 58.000 0.033 0.000 1.217 395 F CB 1.339 40.355 39.000 0.026 0.000 1.056 395 F HN 0.169 nan 8.300 nan 0.000 0.577 396 V N -0.848 119.155 119.914 0.148 0.000 3.078 396 V HA 0.696 4.801 4.120 -0.024 0.000 0.311 396 V C -0.569 175.497 176.094 -0.047 0.000 1.138 396 V CA -1.230 61.074 62.300 0.006 0.000 1.007 396 V CB 1.989 33.734 31.823 -0.129 0.000 1.045 396 V HN 0.160 nan 8.190 nan 0.000 0.432 397 M N 1.755 121.284 119.600 -0.119 0.000 2.535 397 M HA 0.779 5.245 4.480 -0.024 0.000 0.314 397 M C -1.397 174.828 176.300 -0.125 0.000 1.153 397 M CA -0.381 54.885 55.300 -0.057 0.000 0.924 397 M CB 2.499 35.097 32.600 -0.004 0.000 1.710 397 M HN 0.811 nan 8.290 nan 0.000 0.451 398 H N 1.626 120.810 119.070 0.190 0.000 2.851 398 H HA 0.534 5.076 4.556 -0.024 0.000 0.372 398 H C -1.648 173.750 175.328 0.117 0.000 1.158 398 H CA -0.892 55.258 56.048 0.171 0.000 1.159 398 H CB 2.503 32.401 29.762 0.227 0.000 1.757 398 H HN 0.733 nan 8.280 nan 0.000 0.546 399 L N 3.446 124.806 121.223 0.228 0.000 2.265 399 L HA 0.369 4.695 4.340 -0.024 0.000 0.288 399 L C -0.290 176.622 176.870 0.070 0.000 1.058 399 L CA -0.346 54.508 54.840 0.024 0.000 0.809 399 L CB 0.287 42.292 42.059 -0.090 0.000 1.179 399 L HN 0.455 nan 8.230 nan 0.000 0.429 400 V N 1.548 121.471 119.914 0.015 0.000 3.040 400 V HA 0.920 5.025 4.120 -0.024 0.000 0.312 400 V C -0.333 175.763 176.094 0.003 0.000 1.115 400 V CA -0.404 61.942 62.300 0.077 0.000 0.998 400 V CB 1.950 33.752 31.823 -0.035 0.000 1.042 400 V HN 0.773 nan 8.190 nan 0.000 0.433 401 S N 1.125 116.784 115.700 -0.070 0.000 2.661 401 S HA 0.820 5.276 4.470 -0.024 0.000 0.285 401 S C -1.000 173.385 174.600 -0.358 0.000 1.138 401 S CA -0.918 57.215 58.200 -0.112 0.000 0.855 401 S CB 2.123 65.382 63.200 0.099 0.000 1.136 401 S HN 1.047 nan 8.310 nan 0.000 0.484 402 R N 1.320 121.690 120.500 -0.217 0.000 2.515 402 R HA 0.641 4.967 4.340 -0.024 0.000 0.291 402 R C -2.138 174.095 176.300 -0.111 0.000 1.046 402 R CA -0.338 55.672 56.100 -0.151 0.000 0.914 402 R CB 1.055 31.334 30.300 -0.036 0.000 1.191 402 R HN 0.459 nan 8.270 nan 0.000 0.435 403 V N 5.214 125.063 119.914 -0.109 0.000 2.513 403 V HA 0.609 4.715 4.120 -0.024 0.000 0.299 403 V C -0.093 175.882 176.094 -0.198 0.000 1.035 403 V CA -0.644 61.553 62.300 -0.171 0.000 0.889 403 V CB 1.571 33.321 31.823 -0.122 0.000 0.988 403 V HN 0.606 nan 8.190 nan 0.000 0.440 404 V N 1.386 121.077 119.914 -0.372 0.000 3.078 404 V HA 1.144 5.249 4.120 -0.024 0.000 0.311 404 V C -0.127 175.819 176.094 -0.245 0.000 1.138 404 V CA -0.015 62.113 62.300 -0.287 0.000 1.007 404 V CB 1.783 33.418 31.823 -0.313 0.000 1.045 404 V HN 1.201 nan 8.190 nan 0.000 0.432 405 G N 0.393 109.157 108.800 -0.060 0.000 2.606 405 G HA2 0.602 4.548 3.960 -0.024 0.000 0.300 405 G HA3 0.602 4.548 3.960 -0.024 0.000 0.300 405 G C -1.087 173.861 174.900 0.079 0.000 1.360 405 G CA -0.279 44.840 45.100 0.031 0.000 0.783 405 G HN 0.917 nan 8.290 nan 0.000 0.484 406 T N 1.294 115.901 114.554 0.088 0.000 2.743 406 T HA 0.392 4.728 4.350 -0.024 0.000 0.292 406 T C 0.078 174.828 174.700 0.083 0.000 0.972 406 T CA -0.243 61.915 62.100 0.098 0.000 0.967 406 T CB 1.213 70.131 68.868 0.083 0.000 0.926 406 T HN 0.532 nan 8.240 nan 0.000 0.459 407 L N 4.505 125.804 121.223 0.127 0.000 2.559 407 L HA 0.150 4.476 4.340 -0.024 0.000 0.274 407 L C 0.974 177.864 176.870 0.033 0.000 1.205 407 L CA 0.195 55.068 54.840 0.055 0.000 0.907 407 L CB 0.006 42.090 42.059 0.042 0.000 1.153 407 L HN 0.541 nan 8.230 nan 0.000 0.490 408 R N 3.818 124.311 120.500 -0.013 0.000 2.566 408 R HA -0.075 4.251 4.340 -0.024 0.000 0.273 408 R C 1.305 177.598 176.300 -0.011 0.000 0.981 408 R CA 0.583 56.672 56.100 -0.019 0.000 1.091 408 R CB 0.609 30.878 30.300 -0.052 0.000 0.924 408 R HN 0.978 nan 8.270 nan 0.000 0.411 409 A N 3.893 126.714 122.820 0.001 0.000 1.948 409 A HA -0.212 4.094 4.320 -0.024 0.000 0.220 409 A C 1.310 178.895 177.584 0.001 0.000 1.177 409 A CA 2.026 54.070 52.037 0.012 0.000 0.636 409 A CB -0.323 18.684 19.000 0.012 0.000 0.815 409 A HN 0.917 nan 8.150 nan 0.000 0.449 410 D N -1.131 119.252 120.400 -0.028 0.000 2.328 410 D HA 0.154 4.779 4.640 -0.024 0.000 0.226 410 D C 0.464 176.714 176.300 -0.083 0.000 1.066 410 D CA 0.096 54.068 54.000 -0.046 0.000 0.861 410 D CB -0.155 40.605 40.800 -0.066 0.000 0.912 410 D HN 0.433 nan 8.370 nan 0.000 0.521 411 L N 0.618 121.798 121.223 -0.071 0.000 2.303 411 L HA 0.379 4.705 4.340 -0.024 0.000 0.266 411 L C -0.289 176.619 176.870 0.062 0.000 1.011 411 L CA -1.159 53.642 54.840 -0.065 0.000 0.818 411 L CB 1.857 43.825 42.059 -0.152 0.000 1.326 411 L HN -0.103 nan 8.230 nan 0.000 0.435 412 D N -0.733 119.804 120.400 0.228 0.000 2.497 412 D HA 0.160 4.786 4.640 -0.024 0.000 0.243 412 D C 0.326 176.480 176.300 -0.244 0.000 1.039 412 D CA -0.722 53.255 54.000 -0.039 0.000 1.052 412 D CB 1.593 42.369 40.800 -0.041 0.000 1.344 412 D HN 0.132 nan 8.370 nan 0.000 0.553 413 V N 0.235 119.900 119.914 -0.415 0.000 2.867 413 V HA -0.111 3.995 4.120 -0.024 0.000 0.260 413 V C 1.836 177.669 176.094 -0.435 0.000 1.099 413 V CA 1.315 63.298 62.300 -0.527 0.000 1.122 413 V CB -0.783 30.711 31.823 -0.548 0.000 0.708 413 V HN 0.518 nan 8.190 nan 0.000 0.490 414 L N -1.167 119.780 121.223 -0.461 0.000 2.109 414 L HA -0.079 4.247 4.340 -0.024 0.000 0.207 414 L C 2.559 179.020 176.870 -0.681 0.000 1.086 414 L CA 1.208 55.707 54.840 -0.568 0.000 0.760 414 L CB -0.818 40.941 42.059 -0.499 0.000 0.910 414 L HN 0.411 nan 8.230 nan 0.000 0.437 415 H N -0.077 118.728 119.070 -0.442 0.000 2.353 415 H HA -0.079 4.463 4.556 -0.025 0.000 0.300 415 H C 2.298 177.344 175.328 -0.472 0.000 1.090 415 H CA 1.444 57.225 56.048 -0.443 0.000 1.327 415 H CB -0.079 29.509 29.762 -0.291 0.000 1.383 415 H HN 0.337 nan 8.280 nan 0.000 0.508 416 A N 0.727 123.371 122.820 -0.295 0.000 1.902 416 A HA -0.230 4.076 4.320 -0.024 0.000 0.217 416 A C 2.318 179.650 177.584 -0.420 0.000 1.181 416 A CA 1.495 53.339 52.037 -0.321 0.000 0.623 416 A CB -1.023 17.790 19.000 -0.312 0.000 0.818 416 A HN 0.453 nan 8.150 nan 0.000 0.443 417 Y N 0.137 120.094 120.300 -0.571 0.000 2.163 417 Y HA -0.242 4.291 4.550 -0.028 0.000 0.288 417 Y C 2.652 178.113 175.900 -0.732 0.000 1.136 417 Y CA 2.340 60.052 58.100 -0.647 0.000 1.147 417 Y CB -0.355 37.603 38.460 -0.837 0.000 0.987 417 Y HN 0.488 nan 8.280 nan 0.000 0.509 418 Q N -0.024 119.201 119.800 -0.958 0.000 2.061 418 Q HA -0.247 4.079 4.340 -0.024 0.000 0.204 418 Q C 2.313 177.898 176.000 -0.692 0.000 0.984 418 Q CA 1.840 56.969 55.803 -1.124 0.000 0.846 418 Q CB -0.401 27.471 28.738 -1.443 0.000 0.902 418 Q HN 0.583 nan 8.270 nan 0.000 0.421 419 A N -0.246 122.255 122.820 -0.531 0.000 1.933 419 A HA -0.160 4.146 4.320 -0.024 0.000 0.218 419 A C 2.118 179.488 177.584 -0.358 0.000 1.175 419 A CA 1.380 53.200 52.037 -0.361 0.000 0.628 419 A CB -0.609 18.225 19.000 -0.277 0.000 0.814 419 A HN 0.623 nan 8.150 nan 0.000 0.444 420 C N -0.333 118.693 119.300 -0.455 0.000 2.626 420 C HA 0.292 4.737 4.460 -0.024 0.000 0.266 420 C C 1.164 175.858 174.990 -0.493 0.000 1.317 420 C CA -0.647 58.116 59.018 -0.426 0.000 1.716 420 C CB -1.771 25.711 27.740 -0.431 0.000 1.819 420 C HN 0.556 nan 8.230 nan 0.000 0.578 421 M N 3.141 122.389 119.600 -0.586 0.000 2.453 421 M HA -0.061 4.405 4.480 -0.024 0.000 0.420 421 M C -0.588 175.471 176.300 -0.402 0.000 1.649 421 M CA 1.303 56.272 55.300 -0.553 0.000 0.937 421 M CB -0.494 31.842 32.600 -0.440 0.000 2.111 421 M HN 0.510 nan 8.290 nan 0.000 0.497 422 N N 2.285 120.734 118.700 -0.418 0.000 3.779 422 N HA -0.105 4.621 4.740 -0.024 0.000 0.279 422 N C -0.784 174.593 175.510 -0.222 0.000 2.052 422 N CA 0.347 53.204 53.050 -0.321 0.000 2.429 422 N CB -0.219 37.985 38.487 -0.472 0.000 0.554 422 N HN 0.580 nan 8.380 nan 0.000 0.551 423 M N 1.373 120.867 119.600 -0.178 0.000 2.248 423 M HA 0.039 4.505 4.480 -0.024 0.000 0.343 423 M C 2.054 178.298 176.300 -0.094 0.000 1.243 423 M CA 0.980 56.197 55.300 -0.138 0.000 1.025 423 M CB -0.332 32.204 32.600 -0.106 0.000 1.759 423 M HN 0.748 nan 8.290 nan 0.000 0.452 424 G N 2.011 110.755 108.800 -0.094 0.000 2.469 424 G HA2 -0.263 3.683 3.960 -0.024 0.000 0.220 424 G HA3 -0.263 3.683 3.960 -0.024 0.000 0.220 424 G C 1.306 176.179 174.900 -0.045 0.000 1.136 424 G CA 1.559 46.618 45.100 -0.067 0.000 0.759 424 G HN 0.829 nan 8.290 nan 0.000 0.562 425 T N -1.463 113.059 114.554 -0.054 0.000 2.977 425 T HA 0.116 4.452 4.350 -0.024 0.000 0.271 425 T C 1.691 176.380 174.700 -0.018 0.000 1.105 425 T CA 0.578 62.654 62.100 -0.039 0.000 1.116 425 T CB 0.033 68.871 68.868 -0.051 0.000 0.878 425 T HN 0.089 nan 8.240 nan 0.000 0.509 426 L N 0.988 122.201 121.223 -0.017 0.000 2.959 426 L HA 0.408 4.734 4.340 -0.024 0.000 0.259 426 L C 1.504 178.417 176.870 0.071 0.000 1.185 426 L CA 0.460 55.298 54.840 -0.003 0.000 0.998 426 L CB -0.177 41.845 42.059 -0.061 0.000 1.337 426 L HN 0.552 nan 8.230 nan 0.000 0.555 427 S N -1.694 114.039 115.700 0.056 0.000 3.884 427 S HA 0.728 5.184 4.470 -0.024 0.000 0.174 427 S C 0.700 175.320 174.600 0.033 0.000 0.872 427 S CA 0.387 58.634 58.200 0.078 0.000 1.015 427 S CB 1.965 65.200 63.200 0.059 0.000 1.395 427 S HN 0.250 nan 8.310 nan 0.000 0.737 428 G N 0.815 109.617 108.800 0.003 0.000 2.356 428 G HA2 0.577 4.523 3.960 -0.024 0.000 0.266 428 G HA3 0.577 4.523 3.960 -0.024 0.000 0.266 428 G C -1.761 173.123 174.900 -0.026 0.000 1.312 428 G CA -0.074 45.022 45.100 -0.007 0.000 0.922 428 G HN 1.544 nan 8.290 nan 0.000 0.480 429 A N -0.182 122.614 122.820 -0.040 0.000 2.488 429 A HA 0.873 5.179 4.320 -0.024 0.000 0.295 429 A C -3.208 174.217 177.584 -0.264 0.000 1.045 429 A CA -1.111 50.892 52.037 -0.057 0.000 0.703 429 A CB 1.949 20.999 19.000 0.084 0.000 1.271 429 A HN 0.477 nan 8.150 nan 0.000 0.400 430 P HA 0.107 nan 4.420 nan 0.000 0.268 430 P C 0.757 177.983 177.300 -0.125 0.000 1.205 430 P CA -0.118 62.874 63.100 -0.180 0.000 0.771 430 P CB 0.848 32.425 31.700 -0.204 0.000 0.858 431 K N 2.158 122.510 120.400 -0.081 0.000 2.009 431 K HA -0.142 4.164 4.320 -0.024 0.000 0.210 431 K C 1.501 178.062 176.600 -0.065 0.000 1.049 431 K CA 1.768 58.013 56.287 -0.070 0.000 0.929 431 K CB -0.515 31.939 32.500 -0.077 0.000 0.714 431 K HN 0.123 nan 8.250 nan 0.000 0.440 432 V N 1.124 120.998 119.914 -0.067 0.000 2.343 432 V HA -0.222 3.884 4.120 -0.024 0.000 0.247 432 V C 2.494 178.558 176.094 -0.050 0.000 1.051 432 V CA 1.984 64.252 62.300 -0.053 0.000 1.036 432 V CB -0.547 31.248 31.823 -0.048 0.000 0.654 432 V HN 0.339 nan 8.190 nan 0.000 0.451 433 R N 0.807 121.263 120.500 -0.074 0.000 2.081 433 R HA -0.068 4.258 4.340 -0.024 0.000 0.235 433 R C 2.191 178.451 176.300 -0.068 0.000 1.131 433 R CA 1.784 57.837 56.100 -0.080 0.000 0.960 433 R CB -0.949 29.278 30.300 -0.122 0.000 0.856 433 R HN 0.462 nan 8.270 nan 0.000 0.436 434 A N 0.203 122.980 122.820 -0.072 0.000 1.877 434 A HA -0.174 4.132 4.320 -0.024 0.000 0.216 434 A C 2.242 179.826 177.584 0.000 0.000 1.186 434 A CA 1.839 53.850 52.037 -0.044 0.000 0.620 434 A CB -0.500 18.477 19.000 -0.039 0.000 0.822 434 A HN 0.384 nan 8.150 nan 0.000 0.443 435 M N -0.946 118.664 119.600 0.017 0.000 2.213 435 M HA -0.221 4.244 4.480 -0.024 0.000 0.263 435 M C 2.382 178.714 176.300 0.052 0.000 1.062 435 M CA 1.567 56.911 55.300 0.073 0.000 1.105 435 M CB -0.449 32.186 32.600 0.057 0.000 1.385 435 M HN 0.516 nan 8.290 nan 0.000 0.417 436 Q N 0.250 120.057 119.800 0.011 0.000 2.119 436 Q HA -0.083 4.242 4.340 -0.024 0.000 0.201 436 Q C 2.066 178.064 176.000 -0.003 0.000 0.972 436 Q CA 1.104 56.908 55.803 0.003 0.000 0.847 436 Q CB -0.104 28.625 28.738 -0.015 0.000 0.903 436 Q HN 0.540 nan 8.270 nan 0.000 0.433 437 L N 0.115 121.330 121.223 -0.013 0.000 2.156 437 L HA -0.141 4.185 4.340 -0.024 0.000 0.208 437 L C 2.222 179.081 176.870 -0.017 0.000 1.095 437 L CA 0.702 55.529 54.840 -0.022 0.000 0.770 437 L CB -0.269 41.768 42.059 -0.036 0.000 0.914 437 L HN 0.262 nan 8.230 nan 0.000 0.439 438 I N 0.018 120.589 120.570 0.001 0.000 2.226 438 I HA -0.279 3.876 4.170 -0.024 0.000 0.245 438 I C 2.784 178.896 176.117 -0.008 0.000 1.100 438 I CA 1.245 62.544 61.300 -0.001 0.000 1.374 438 I CB -0.306 37.710 38.000 0.027 0.000 1.057 438 I HN 0.187 nan 8.210 nan 0.000 0.413 439 A N 0.515 123.344 122.820 0.014 0.000 1.902 439 A HA -0.153 4.153 4.320 -0.024 0.000 0.217 439 A C 2.513 180.090 177.584 -0.010 0.000 1.181 439 A CA 1.787 53.830 52.037 0.010 0.000 0.623 439 A CB -0.851 18.168 19.000 0.031 0.000 0.818 439 A HN 0.429 nan 8.150 nan 0.000 0.443 440 A N -0.754 122.058 122.820 -0.013 0.000 1.902 440 A HA 0.004 4.310 4.320 -0.024 0.000 0.217 440 A C 2.114 179.680 177.584 -0.030 0.000 1.181 440 A CA 1.741 53.765 52.037 -0.021 0.000 0.623 440 A CB -0.484 18.503 19.000 -0.022 0.000 0.818 440 A HN 0.484 nan 8.150 nan 0.000 0.443 441 L N -0.243 120.959 121.223 -0.035 0.000 2.049 441 L HA 0.026 4.351 4.340 -0.024 0.000 0.203 441 L C 2.396 179.237 176.870 -0.048 0.000 1.074 441 L CA 1.749 56.562 54.840 -0.046 0.000 0.749 441 L CB -1.153 40.872 42.059 -0.056 0.000 0.907 441 L HN 0.357 nan 8.230 nan 0.000 0.439 442 R N -0.907 119.564 120.500 -0.049 0.000 2.092 442 R HA -0.098 4.228 4.340 -0.024 0.000 0.231 442 R C 1.425 177.691 176.300 -0.057 0.000 1.119 442 R CA 1.021 57.085 56.100 -0.060 0.000 0.970 442 R CB -0.230 30.024 30.300 -0.077 0.000 0.864 442 R HN 0.491 nan 8.270 nan 0.000 0.440 443 S N -1.123 114.550 115.700 -0.046 0.000 3.084 443 S HA -0.156 4.300 4.470 -0.024 0.000 0.277 443 S C -0.464 174.111 174.600 -0.042 0.000 1.295 443 S CA 1.355 59.532 58.200 -0.039 0.000 1.170 443 S CB -0.834 62.344 63.200 -0.037 0.000 1.412 443 S HN 0.493 nan 8.310 nan 0.000 0.669 444 T N 1.070 115.592 114.554 -0.053 0.000 2.894 444 T HA 0.465 4.800 4.350 -0.024 0.000 0.309 444 T C -0.402 174.260 174.700 -0.064 0.000 1.208 444 T CA -0.837 61.228 62.100 -0.057 0.000 1.016 444 T CB 1.444 70.270 68.868 -0.071 0.000 1.192 444 T HN 0.355 nan 8.240 nan 0.000 0.491 445 R N 0.671 121.136 120.500 -0.057 0.000 2.756 445 R HA 0.192 4.517 4.340 -0.024 0.000 0.264 445 R C 1.426 177.667 176.300 -0.097 0.000 1.026 445 R CA 0.060 56.131 56.100 -0.049 0.000 1.121 445 R CB 0.481 30.753 30.300 -0.047 0.000 0.999 445 R HN 0.515 nan 8.270 nan 0.000 0.449 446 R N 1.306 121.751 120.500 -0.091 0.000 2.200 446 R HA 0.020 4.346 4.340 -0.024 0.000 0.208 446 R C 1.280 177.493 176.300 -0.144 0.000 1.033 446 R CA 0.697 56.713 56.100 -0.141 0.000 1.000 446 R CB 0.032 30.152 30.300 -0.300 0.000 0.906 446 R HN 1.018 nan 8.270 nan 0.000 0.462 447 G N 0.511 109.226 108.800 -0.141 0.000 2.591 447 G HA2 -0.444 3.502 3.960 -0.024 0.000 0.298 447 G HA3 -0.444 3.502 3.960 -0.024 0.000 0.298 447 G C 0.821 175.605 174.900 -0.193 0.000 1.195 447 G CA 0.718 45.659 45.100 -0.264 0.000 0.989 447 G HN 0.405 nan 8.290 nan 0.000 0.551 448 S N -0.826 114.683 115.700 -0.319 0.000 2.453 448 S HA 0.090 4.546 4.470 -0.024 0.000 0.231 448 S C 1.194 175.775 174.600 -0.032 0.000 1.005 448 S CA 1.354 59.464 58.200 -0.152 0.000 0.949 448 S CB -0.117 63.002 63.200 -0.136 0.000 0.774 448 S HN 1.376 nan 8.310 nan 0.000 0.510 449 Y N 3.361 123.572 120.300 -0.149 0.000 2.650 449 Y HA 0.391 4.924 4.550 -0.028 0.000 0.331 449 Y C 1.380 177.249 175.900 -0.051 0.000 1.165 449 Y CA 0.441 58.478 58.100 -0.105 0.000 1.473 449 Y CB -0.262 38.098 38.460 -0.167 0.000 1.224 449 Y HN 0.386 nan 8.280 nan 0.000 0.533 450 G N 3.335 111.725 108.800 -0.682 0.000 2.179 450 G HA2 -0.262 3.684 3.960 -0.024 0.000 0.260 450 G HA3 -0.262 3.684 3.960 -0.024 0.000 0.260 450 G C 0.570 175.485 174.900 0.025 0.000 0.977 450 G CA 0.235 45.100 45.100 -0.392 0.000 0.641 450 G HN 1.227 nan 8.290 nan 0.000 0.533 451 G N -0.727 108.090 108.800 0.029 0.000 2.531 451 G HA2 0.708 4.654 3.960 -0.024 0.000 0.253 451 G HA3 0.708 4.654 3.960 -0.024 0.000 0.253 451 G C -0.179 174.760 174.900 0.065 0.000 1.439 451 G CA -0.515 44.648 45.100 0.106 0.000 1.056 451 G HN 0.524 nan 8.290 nan 0.000 0.555 452 R N -2.237 118.337 120.500 0.123 0.000 2.651 452 R HA 0.603 4.929 4.340 -0.024 0.000 0.278 452 R C -1.358 174.926 176.300 -0.027 0.000 1.010 452 R CA -0.591 55.549 56.100 0.067 0.000 0.896 452 R CB 1.965 32.418 30.300 0.256 0.000 1.211 452 R HN 0.483 nan 8.270 nan 0.000 0.456 453 V N 1.820 121.611 119.914 -0.205 0.000 2.735 453 V HA 0.996 5.102 4.120 -0.024 0.000 0.310 453 V C -0.225 175.766 176.094 -0.172 0.000 1.061 453 V CA 0.440 62.565 62.300 -0.291 0.000 0.913 453 V CB 1.558 33.003 31.823 -0.630 0.000 1.005 453 V HN 0.885 nan 8.190 nan 0.000 0.428 454 G N 4.321 113.111 108.800 -0.017 0.000 2.513 454 G HA2 0.301 4.246 3.960 -0.024 0.000 0.182 454 G HA3 0.301 4.246 3.960 -0.024 0.000 0.182 454 G C -1.386 173.694 174.900 0.300 0.000 1.190 454 G CA 0.200 45.397 45.100 0.162 0.000 0.987 454 G HN 1.914 nan 8.290 nan 0.000 0.479 455 Y N -0.925 119.489 120.300 0.189 0.000 2.638 455 Y HA 0.843 5.379 4.550 -0.024 0.000 0.335 455 Y C -1.173 174.863 175.900 0.226 0.000 1.155 455 Y CA -1.965 56.214 58.100 0.132 0.000 1.046 455 Y CB 1.335 39.832 38.460 0.061 0.000 1.303 455 Y HN 1.350 nan 8.280 nan 0.000 0.460 456 F N -0.779 119.203 119.950 0.053 0.000 2.645 456 F HA 0.917 5.429 4.527 -0.025 0.000 0.310 456 F C -0.905 174.960 175.800 0.108 0.000 1.102 456 F CA -0.585 57.404 58.000 -0.018 0.000 0.952 456 F CB 1.686 40.633 39.000 -0.089 0.000 1.326 456 F HN 0.839 nan 8.300 nan 0.000 0.456 457 T N -1.951 112.746 114.554 0.239 0.000 2.865 457 T HA 0.680 5.015 4.350 -0.024 0.000 0.294 457 T C 0.551 175.351 174.700 0.167 0.000 1.119 457 T CA -0.350 61.840 62.100 0.150 0.000 1.007 457 T CB 1.440 70.416 68.868 0.180 0.000 1.225 457 T HN 1.258 nan 8.240 nan 0.000 0.515 458 A N 0.556 123.451 122.820 0.124 0.000 2.125 458 A HA 0.091 4.397 4.320 -0.024 0.000 0.219 458 A C 2.153 179.807 177.584 0.116 0.000 1.156 458 A CA 1.623 53.733 52.037 0.121 0.000 0.671 458 A CB -1.244 17.821 19.000 0.108 0.000 0.794 458 A HN 1.454 nan 8.150 nan 0.000 0.459 459 V N -3.856 116.128 119.914 0.118 0.000 3.510 459 V HA 0.133 4.238 4.120 -0.024 0.000 0.270 459 V C 1.316 177.489 176.094 0.131 0.000 1.201 459 V CA 1.418 63.782 62.300 0.106 0.000 1.166 459 V CB -1.083 30.793 31.823 0.089 0.000 0.825 459 V HN 0.734 nan 8.190 nan 0.000 0.484 460 R N -0.468 120.135 120.500 0.171 0.000 3.004 460 R HA -0.162 4.164 4.340 -0.024 0.000 0.465 460 R C 0.076 176.572 176.300 0.326 0.000 0.527 460 R CA 1.006 57.246 56.100 0.232 0.000 1.419 460 R CB -2.026 28.422 30.300 0.246 0.000 2.058 460 R HN 0.634 nan 8.270 nan 0.000 0.353 461 N N 1.338 120.180 118.700 0.237 0.000 2.371 461 N HA 0.352 5.078 4.740 -0.024 0.000 0.243 461 N C -0.141 175.501 175.510 0.220 0.000 1.287 461 N CA 1.008 54.185 53.050 0.212 0.000 0.911 461 N CB 1.019 39.586 38.487 0.134 0.000 1.142 461 N HN 0.341 nan 8.380 nan 0.000 0.451 462 L N 0.315 121.622 121.223 0.141 0.000 2.591 462 L HA 0.361 4.687 4.340 -0.024 0.000 0.257 462 L C -2.041 174.766 176.870 -0.105 0.000 0.935 462 L CA -0.605 54.232 54.840 -0.004 0.000 0.873 462 L CB 2.376 44.489 42.059 0.091 0.000 1.397 462 L HN 0.393 nan 8.230 nan 0.000 0.414 463 D N 2.077 122.280 120.400 -0.328 0.000 2.890 463 D HA 0.681 5.307 4.640 -0.024 0.000 0.233 463 D C -1.343 174.929 176.300 -0.045 0.000 1.306 463 D CA 0.311 54.241 54.000 -0.117 0.000 0.929 463 D CB 2.262 43.045 40.800 -0.029 0.000 1.512 463 D HN 0.736 nan 8.370 nan 0.000 0.568 464 T N -0.272 114.280 114.554 -0.003 0.000 2.868 464 T HA 0.688 5.024 4.350 -0.024 0.000 0.306 464 T C -0.166 174.284 174.700 -0.418 0.000 1.224 464 T CA -0.801 61.238 62.100 -0.102 0.000 1.012 464 T CB 0.844 69.725 68.868 0.021 0.000 1.221 464 T HN 0.633 nan 8.240 nan 0.000 0.499 465 C N 0.759 119.733 119.300 -0.544 0.000 2.802 465 C HA 0.841 5.286 4.460 -0.024 0.000 0.307 465 C C 0.155 174.960 174.990 -0.309 0.000 1.222 465 C CA -1.339 57.273 59.018 -0.678 0.000 1.580 465 C CB -0.258 26.882 27.740 -1.000 0.000 2.119 465 C HN 1.051 nan 8.230 nan 0.000 0.479 466 I N 2.110 122.562 120.570 -0.197 0.000 2.692 466 I HA 0.146 4.302 4.170 -0.024 0.000 0.284 466 I C 0.212 176.276 176.117 -0.089 0.000 1.159 466 I CA 0.104 61.335 61.300 -0.116 0.000 1.423 466 I CB 0.959 38.904 38.000 -0.091 0.000 1.380 466 I HN 0.544 nan 8.210 nan 0.000 0.580 467 V N 8.052 127.912 119.914 -0.089 0.000 2.313 467 V HA 0.240 4.346 4.120 -0.024 0.000 0.252 467 V C 0.245 176.353 176.094 0.023 0.000 1.112 467 V CA 0.167 62.465 62.300 -0.003 0.000 0.984 467 V CB -0.983 30.822 31.823 -0.030 0.000 1.157 467 V HN 0.478 nan 8.190 nan 0.000 0.493 468 I N 1.449 122.085 120.570 0.111 0.000 3.095 468 I HA 0.728 4.884 4.170 -0.024 0.000 0.310 468 I C -0.013 176.207 176.117 0.172 0.000 1.196 468 I CA -1.421 59.961 61.300 0.137 0.000 0.985 468 I CB 2.128 40.167 38.000 0.065 0.000 1.250 468 I HN 0.272 nan 8.210 nan 0.000 0.446 469 R N 0.686 121.278 120.500 0.154 0.000 3.336 469 R HA -0.141 4.185 4.340 -0.024 0.000 0.260 469 R C -0.435 175.922 176.300 0.096 0.000 1.032 469 R CA 0.910 57.078 56.100 0.112 0.000 0.693 469 R CB -2.807 27.552 30.300 0.098 0.000 1.134 469 R HN 1.067 nan 8.270 nan 0.000 0.433 470 S N -2.121 113.625 115.700 0.077 0.000 2.697 470 S HA 0.910 5.366 4.470 -0.024 0.000 0.289 470 S C -0.723 173.780 174.600 -0.162 0.000 1.149 470 S CA -0.398 57.787 58.200 -0.025 0.000 0.850 470 S CB 3.005 66.294 63.200 0.148 0.000 1.151 470 S HN 0.627 nan 8.310 nan 0.000 0.491 471 A N 0.981 123.516 122.820 -0.474 0.000 2.330 471 A HA 0.679 4.984 4.320 -0.024 0.000 0.313 471 A C -1.558 175.823 177.584 -0.339 0.000 1.124 471 A CA -0.577 51.153 52.037 -0.512 0.000 0.774 471 A CB 0.662 19.073 19.000 -0.981 0.000 1.198 471 A HN 1.045 nan 8.150 nan 0.000 0.465 472 Y N 3.408 123.564 120.300 -0.239 0.000 2.385 472 Y HA 0.538 5.077 4.550 -0.019 0.000 0.341 472 Y C -0.846 174.985 175.900 -0.115 0.000 0.965 472 Y CA -0.539 57.468 58.100 -0.154 0.000 1.180 472 Y CB 1.161 39.524 38.460 -0.162 0.000 1.139 472 Y HN 0.438 nan 8.280 nan 0.000 0.502 473 V N 6.473 126.120 119.914 -0.446 0.000 2.398 473 V HA 0.419 4.524 4.120 -0.024 0.000 0.286 473 V C -0.523 175.375 176.094 -0.328 0.000 1.026 473 V CA -0.837 61.308 62.300 -0.259 0.000 0.868 473 V CB 1.469 33.276 31.823 -0.027 0.000 0.982 473 V HN 0.759 nan 8.190 nan 0.000 0.443 474 E N 2.500 122.606 120.200 -0.157 0.000 2.263 474 E HA 0.322 4.657 4.350 -0.024 0.000 0.268 474 E C -1.185 175.458 176.600 0.072 0.000 0.884 474 E CA -0.646 55.727 56.400 -0.044 0.000 0.766 474 E CB 1.358 31.075 29.700 0.028 0.000 1.196 474 E HN 0.799 nan 8.360 nan 0.000 0.416 475 D N 3.024 123.466 120.400 0.069 0.000 2.697 475 D HA -0.211 4.415 4.640 -0.024 0.000 0.235 475 D C 0.730 177.089 176.300 0.099 0.000 1.167 475 D CA 1.603 55.651 54.000 0.081 0.000 0.656 475 D CB -1.229 39.619 40.800 0.081 0.000 1.025 475 D HN 0.993 nan 8.370 nan 0.000 0.419 476 G N 0.181 109.041 108.800 0.101 0.000 2.175 476 G HA2 -0.365 3.580 3.960 -0.024 0.000 0.265 476 G HA3 -0.365 3.580 3.960 -0.024 0.000 0.265 476 G C 0.100 175.093 174.900 0.156 0.000 0.979 476 G CA 0.801 45.969 45.100 0.114 0.000 0.663 476 G HN 0.844 nan 8.290 nan 0.000 0.533 477 H N -0.246 118.839 119.070 0.026 0.000 2.587 477 H HA 0.566 5.107 4.556 -0.024 0.000 0.325 477 H C 0.047 175.388 175.328 0.020 0.000 1.012 477 H CA -0.982 55.077 56.048 0.019 0.000 1.213 477 H CB 0.764 30.538 29.762 0.020 0.000 1.431 477 H HN 0.247 nan 8.280 nan 0.000 0.492 478 R N 4.254 124.757 120.500 0.004 0.000 2.265 478 R HA 0.218 4.544 4.340 -0.024 0.000 0.319 478 R C -1.053 175.102 176.300 -0.242 0.000 1.006 478 R CA -0.403 55.628 56.100 -0.115 0.000 0.880 478 R CB 1.073 31.376 30.300 0.005 0.000 1.077 478 R HN 0.549 nan 8.270 nan 0.000 0.454 479 T N 4.018 118.448 114.554 -0.207 0.000 2.749 479 T HA 0.264 4.599 4.350 -0.024 0.000 0.287 479 T C -0.601 174.049 174.700 -0.083 0.000 0.970 479 T CA -0.424 61.580 62.100 -0.159 0.000 0.980 479 T CB 1.378 70.177 68.868 -0.115 0.000 0.924 479 T HN 0.293 nan 8.240 nan 0.000 0.456 480 V N 4.770 124.651 119.914 -0.055 0.000 2.275 480 V HA 0.335 4.441 4.120 -0.024 0.000 0.272 480 V C 0.159 176.245 176.094 -0.015 0.000 1.028 480 V CA -0.756 61.530 62.300 -0.024 0.000 0.810 480 V CB 1.037 32.854 31.823 -0.010 0.000 1.043 480 V HN 0.807 nan 8.190 nan 0.000 0.453 481 Q N 3.227 122.948 119.800 -0.131 0.000 2.243 481 Q HA 0.745 5.071 4.340 -0.024 0.000 0.252 481 Q C -0.395 175.388 176.000 -0.361 0.000 0.909 481 Q CA -0.231 55.325 55.803 -0.412 0.000 0.922 481 Q CB 1.604 29.867 28.738 -0.792 0.000 1.215 481 Q HN 0.879 nan 8.270 nan 0.000 0.427 482 A N 2.536 125.168 122.820 -0.313 0.000 2.549 482 A HA 0.859 5.164 4.320 -0.024 0.000 0.297 482 A C -0.784 176.761 177.584 -0.065 0.000 1.061 482 A CA -0.042 51.969 52.037 -0.042 0.000 0.690 482 A CB 1.870 20.927 19.000 0.096 0.000 1.287 482 A HN 0.835 nan 8.150 nan 0.000 0.402 483 G N -0.707 108.172 108.800 0.131 0.000 3.176 483 G HA2 0.970 4.916 3.960 -0.024 0.000 0.272 483 G HA3 0.970 4.916 3.960 -0.024 0.000 0.272 483 G C -0.661 174.341 174.900 0.169 0.000 1.349 483 G CA -0.141 45.051 45.100 0.153 0.000 0.953 483 G HN 2.156 nan 8.290 nan 0.000 0.559 484 A N -1.650 121.300 122.820 0.217 0.000 2.594 484 A HA 0.719 5.024 4.320 -0.024 0.000 0.296 484 A C -0.106 177.574 177.584 0.161 0.000 1.061 484 A CA 0.090 52.239 52.037 0.187 0.000 0.689 484 A CB 1.096 20.219 19.000 0.205 0.000 1.280 484 A HN 1.914 nan 8.150 nan 0.000 0.406 485 G N 0.529 109.402 108.800 0.123 0.000 2.356 485 G HA2 0.497 4.442 3.960 -0.024 0.000 0.273 485 G HA3 0.497 4.442 3.960 -0.024 0.000 0.273 485 G C -0.318 174.635 174.900 0.088 0.000 1.213 485 G CA 0.021 45.177 45.100 0.092 0.000 0.955 485 G HN 0.996 nan 8.290 nan 0.000 0.454 486 V N 4.162 124.117 119.914 0.068 0.000 2.370 486 V HA 0.493 4.599 4.120 -0.024 0.000 0.279 486 V C 0.589 176.710 176.094 0.045 0.000 1.029 486 V CA -0.404 61.925 62.300 0.049 0.000 0.870 486 V CB 0.894 32.724 31.823 0.013 0.000 0.984 486 V HN 0.761 nan 8.190 nan 0.000 0.451 487 V N 2.423 122.367 119.914 0.050 0.000 3.145 487 V HA 0.487 4.593 4.120 -0.024 0.000 0.311 487 V C 1.062 177.184 176.094 0.045 0.000 1.238 487 V CA -0.546 61.786 62.300 0.054 0.000 1.066 487 V CB 1.546 33.403 31.823 0.057 0.000 1.144 487 V HN 0.645 nan 8.190 nan 0.000 0.465 488 Q N -0.088 119.741 119.800 0.049 0.000 2.096 488 Q HA -0.233 4.093 4.340 -0.024 0.000 0.208 488 Q C 1.278 177.300 176.000 0.036 0.000 0.993 488 Q CA 2.693 58.520 55.803 0.041 0.000 0.862 488 Q CB -0.084 28.679 28.738 0.040 0.000 0.915 488 Q HN 0.907 nan 8.270 nan 0.000 0.416 489 D N 0.301 120.725 120.400 0.040 0.000 2.328 489 D HA 0.063 4.688 4.640 -0.024 0.000 0.226 489 D C -0.106 176.222 176.300 0.046 0.000 1.066 489 D CA 0.094 54.120 54.000 0.043 0.000 0.861 489 D CB 0.267 41.097 40.800 0.051 0.000 0.912 489 D HN 0.057 nan 8.370 nan 0.000 0.521 490 S N 0.555 116.282 115.700 0.045 0.000 2.568 490 S HA 0.168 4.624 4.470 -0.024 0.000 0.282 490 S C 0.680 175.307 174.600 0.045 0.000 1.338 490 S CA -0.114 58.117 58.200 0.051 0.000 1.045 490 S CB 1.121 64.352 63.200 0.051 0.000 0.873 490 S HN 0.126 nan 8.310 nan 0.000 0.516 491 I N 3.969 124.571 120.570 0.053 0.000 2.330 491 I HA 0.222 4.378 4.170 -0.024 0.000 0.289 491 I C -1.675 174.477 176.117 0.058 0.000 1.001 491 I CA -2.344 58.986 61.300 0.049 0.000 1.193 491 I CB 1.724 39.755 38.000 0.052 0.000 1.345 491 I HN 0.430 nan 8.210 nan 0.000 0.461 492 P HA -0.254 nan 4.420 nan 0.000 0.216 492 P C 1.380 178.740 177.300 0.099 0.000 1.167 492 P CA 1.259 64.389 63.100 0.049 0.000 0.914 492 P CB 0.334 32.043 31.700 0.016 0.000 0.793 493 E N -0.668 119.582 120.200 0.083 0.000 2.153 493 E HA -0.195 4.141 4.350 -0.024 0.000 0.194 493 E C 2.168 178.830 176.600 0.103 0.000 0.988 493 E CA 1.069 57.526 56.400 0.096 0.000 0.811 493 E CB -0.654 29.087 29.700 0.069 0.000 0.746 493 E HN -0.128 nan 8.360 nan 0.000 0.466 494 R N 0.424 120.980 120.500 0.093 0.000 2.081 494 R HA -0.105 4.221 4.340 -0.024 0.000 0.235 494 R C 1.668 178.038 176.300 0.117 0.000 1.131 494 R CA 1.390 57.545 56.100 0.091 0.000 0.960 494 R CB -0.143 30.205 30.300 0.080 0.000 0.856 494 R HN 0.241 nan 8.270 nan 0.000 0.436 495 E N 0.049 120.342 120.200 0.155 0.000 2.107 495 E HA -0.070 4.266 4.350 -0.024 0.000 0.191 495 E C 1.884 178.628 176.600 0.240 0.000 0.982 495 E CA 1.041 57.574 56.400 0.221 0.000 0.809 495 E CB -0.261 29.600 29.700 0.268 0.000 0.756 495 E HN 0.310 nan 8.360 nan 0.000 0.459 496 A N 2.024 125.000 122.820 0.260 0.000 1.902 496 A HA -0.198 4.108 4.320 -0.024 0.000 0.217 496 A C 1.816 179.419 177.584 0.032 0.000 1.181 496 A CA 1.801 53.912 52.037 0.123 0.000 0.623 496 A CB -0.376 18.739 19.000 0.191 0.000 0.818 496 A HN 0.064 nan 8.150 nan 0.000 0.443 497 D N -0.867 119.575 120.400 0.070 0.000 2.178 497 D HA -0.120 4.505 4.640 -0.024 0.000 0.202 497 D C 1.847 178.170 176.300 0.039 0.000 0.974 497 D CA 1.294 55.324 54.000 0.049 0.000 0.841 497 D CB -0.260 40.572 40.800 0.053 0.000 0.953 497 D HN 0.749 nan 8.370 nan 0.000 0.478 498 E N 0.412 120.647 120.200 0.059 0.000 2.072 498 E HA -0.164 4.171 4.350 -0.024 0.000 0.191 498 E C 1.983 178.610 176.600 0.046 0.000 0.985 498 E CA 1.776 58.217 56.400 0.069 0.000 0.801 498 E CB 0.106 29.869 29.700 0.105 0.000 0.750 498 E HN 0.307 nan 8.360 nan 0.000 0.452 499 T N -1.003 113.552 114.554 0.002 0.000 2.746 499 T HA -0.211 4.125 4.350 -0.024 0.000 0.267 499 T C 2.029 176.755 174.700 0.043 0.000 1.039 499 T CA 1.341 63.435 62.100 -0.011 0.000 1.142 499 T CB -0.351 68.381 68.868 -0.227 0.000 0.866 499 T HN 0.109 nan 8.240 nan 0.000 0.444 500 R N 1.169 121.680 120.500 0.018 0.000 2.092 500 R HA 0.012 4.337 4.340 -0.024 0.000 0.231 500 R C 2.630 178.794 176.300 -0.227 0.000 1.119 500 R CA 1.352 57.338 56.100 -0.189 0.000 0.970 500 R CB -0.450 29.787 30.300 -0.106 0.000 0.864 500 R HN 0.598 nan 8.270 nan 0.000 0.440 501 N N 0.277 118.916 118.700 -0.101 0.000 2.309 501 N HA -0.144 4.582 4.740 -0.024 0.000 0.182 501 N C 1.157 176.634 175.510 -0.056 0.000 1.018 501 N CA 0.888 53.886 53.050 -0.086 0.000 0.876 501 N CB 0.188 38.682 38.487 0.011 0.000 0.972 501 N HN 0.233 nan 8.380 nan 0.000 0.434 502 K N 0.273 120.667 120.400 -0.012 0.000 2.076 502 K HA 0.054 4.359 4.320 -0.024 0.000 0.204 502 K C 1.995 178.586 176.600 -0.015 0.000 1.051 502 K CA 0.951 57.264 56.287 0.044 0.000 0.949 502 K CB 0.002 32.564 32.500 0.103 0.000 0.726 502 K HN 0.108 nan 8.250 nan 0.000 0.443 503 A N 1.449 124.206 122.820 -0.105 0.000 2.015 503 A HA -0.140 4.165 4.320 -0.024 0.000 0.219 503 A C 2.002 179.437 177.584 -0.248 0.000 1.163 503 A CA 1.076 53.004 52.037 -0.181 0.000 0.646 503 A CB -0.409 18.360 19.000 -0.386 0.000 0.806 503 A HN 0.214 nan 8.150 nan 0.000 0.448 504 R N -0.024 120.280 120.500 -0.326 0.000 2.119 504 R HA -0.215 4.110 4.340 -0.024 0.000 0.246 504 R C 2.192 178.265 176.300 -0.378 0.000 1.146 504 R CA 1.834 57.664 56.100 -0.450 0.000 0.962 504 R CB -0.453 29.414 30.300 -0.721 0.000 0.863 504 R HN 0.437 nan 8.270 nan 0.000 0.442 505 A N -0.068 122.641 122.820 -0.186 0.000 1.902 505 A HA -0.108 4.197 4.320 -0.024 0.000 0.217 505 A C 2.258 179.893 177.584 0.086 0.000 1.181 505 A CA 1.739 53.833 52.037 0.095 0.000 0.623 505 A CB -0.447 18.725 19.000 0.286 0.000 0.818 505 A HN 0.246 nan 8.150 nan 0.000 0.443 506 V N 0.111 120.054 119.914 0.049 0.000 2.379 506 V HA -0.219 3.886 4.120 -0.024 0.000 0.245 506 V C 2.530 178.674 176.094 0.084 0.000 1.044 506 V CA 1.738 64.092 62.300 0.090 0.000 1.036 506 V CB -0.884 30.962 31.823 0.037 0.000 0.664 506 V HN 0.552 nan 8.190 nan 0.000 0.453 507 L N -0.437 120.782 121.223 -0.007 0.000 2.042 507 L HA -0.180 4.146 4.340 -0.024 0.000 0.210 507 L C 2.826 179.812 176.870 0.193 0.000 1.076 507 L CA 1.719 56.575 54.840 0.027 0.000 0.749 507 L CB -0.619 41.364 42.059 -0.128 0.000 0.893 507 L HN 0.233 nan 8.230 nan 0.000 0.432 508 R N -0.250 120.320 120.500 0.117 0.000 2.115 508 R HA -0.060 4.266 4.340 -0.024 0.000 0.226 508 R C 2.428 178.804 176.300 0.127 0.000 1.100 508 R CA 1.067 57.238 56.100 0.118 0.000 0.980 508 R CB -0.345 29.991 30.300 0.059 0.000 0.875 508 R HN 0.348 nan 8.270 nan 0.000 0.445 509 A N 1.407 124.313 122.820 0.142 0.000 1.877 509 A HA -0.148 4.157 4.320 -0.024 0.000 0.216 509 A C 2.120 179.806 177.584 0.171 0.000 1.186 509 A CA 1.221 53.340 52.037 0.137 0.000 0.620 509 A CB -0.418 18.687 19.000 0.175 0.000 0.822 509 A HN 0.151 nan 8.150 nan 0.000 0.443 510 I N -0.230 120.489 120.570 0.248 0.000 2.179 510 I HA -0.255 3.900 4.170 -0.024 0.000 0.242 510 I C 2.992 179.322 176.117 0.355 0.000 1.088 510 I CA 1.038 62.539 61.300 0.336 0.000 1.357 510 I CB -0.406 37.762 38.000 0.279 0.000 1.051 510 I HN 0.342 nan 8.210 nan 0.000 0.409 511 A N 0.454 123.438 122.820 0.273 0.000 1.865 511 A HA -0.243 4.063 4.320 -0.024 0.000 0.217 511 A C 2.417 180.073 177.584 0.121 0.000 1.191 511 A CA 2.745 54.914 52.037 0.220 0.000 0.623 511 A CB -1.265 17.819 19.000 0.141 0.000 0.826 511 A HN 0.397 nan 8.150 nan 0.000 0.444 512 T N 0.277 114.861 114.554 0.050 0.000 2.674 512 T HA -0.020 4.316 4.350 -0.024 0.000 0.265 512 T C 2.217 176.810 174.700 -0.179 0.000 1.039 512 T CA 1.732 63.794 62.100 -0.063 0.000 1.150 512 T CB -0.572 68.265 68.868 -0.052 0.000 0.864 512 T HN 0.632 nan 8.240 nan 0.000 0.427 513 A N 1.100 123.857 122.820 -0.105 0.000 2.032 513 A HA -0.171 4.134 4.320 -0.024 0.000 0.221 513 A C 1.704 179.098 177.584 -0.317 0.000 1.165 513 A CA 1.325 53.219 52.037 -0.239 0.000 0.645 513 A CB -0.638 18.249 19.000 -0.187 0.000 0.807 513 A HN 0.671 nan 8.150 nan 0.000 0.453 514 H N -2.086 116.978 119.070 -0.010 0.000 2.542 514 H HA 0.160 4.702 4.556 -0.024 0.000 0.283 514 H C -0.435 175.031 175.328 0.229 0.000 1.059 514 H CA 0.224 56.365 56.048 0.156 0.000 1.162 514 H CB -0.012 29.838 29.762 0.146 0.000 1.539 514 H HN 0.769 nan 8.280 nan 0.000 0.543 515 H N -0.333 118.813 119.070 0.127 0.000 2.692 515 H HA -0.132 4.409 4.556 -0.024 0.000 0.316 515 H C 0.439 175.810 175.328 0.073 0.000 1.176 515 H CA 0.370 56.466 56.048 0.080 0.000 1.142 515 H CB -1.699 28.106 29.762 0.071 0.000 1.475 515 H HN 0.520 nan 8.280 nan 0.000 0.423 516 A N 0.482 123.382 122.820 0.134 0.000 2.322 516 A HA 0.634 4.939 4.320 -0.024 0.000 0.269 516 A C 1.460 179.043 177.584 -0.002 0.000 1.094 516 A CA 0.114 52.199 52.037 0.081 0.000 0.807 516 A CB 0.455 19.504 19.000 0.082 0.000 1.047 516 A HN 0.602 nan 8.150 nan 0.000 0.487 517 K N 0.727 121.114 120.400 -0.022 0.000 2.137 517 K HA 0.382 4.688 4.320 -0.024 0.000 0.202 517 K C 0.979 177.489 176.600 -0.151 0.000 1.052 517 K CA 1.632 57.885 56.287 -0.056 0.000 0.961 517 K CB -1.325 31.162 32.500 -0.023 0.000 0.741 517 K HN 1.331 nan 8.250 nan 0.000 0.452 518 E N 0.282 120.339 120.200 -0.238 0.000 2.414 518 E HA 0.440 4.775 4.350 -0.024 0.000 0.263 518 E C -0.376 175.783 176.600 -0.736 0.000 1.000 518 E CA -0.027 56.113 56.400 -0.434 0.000 0.914 518 E CB 0.701 30.146 29.700 -0.425 0.000 0.948 518 E HN 0.363 nan 8.360 nan 0.000 0.444 519 V N 4.625 124.240 119.914 -0.499 0.000 2.318 519 V HA 0.388 4.493 4.120 -0.024 0.000 0.271 519 V C -0.109 175.785 176.094 -0.332 0.000 1.030 519 V CA -0.444 61.619 62.300 -0.395 0.000 0.844 519 V CB -0.527 31.198 31.823 -0.162 0.000 1.015 519 V HN 0.746 nan 8.190 nan 0.000 0.460 520 F N 0.000 119.906 119.950 -0.074 0.000 2.286 520 F HA 0.000 4.514 4.527 -0.022 0.000 0.279 520 F CA 0.000 57.926 58.000 -0.124 0.000 1.383 520 F CB 0.000 38.910 39.000 -0.150 0.000 1.145 520 F HN 0.000 nan 8.300 nan 0.000 0.574