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_C 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 0.000 174.714 174.700 0.024 0.000 1.109 4 T CA 0.000 62.112 62.100 0.020 0.000 1.349 4 T CB 0.000 68.878 68.868 0.017 0.000 0.612 5 K N 2.857 123.274 120.400 0.028 0.000 2.237 5 K HA 0.574 4.894 4.320 -0.000 0.000 0.270 5 K C -2.078 174.542 176.600 0.033 0.000 1.015 5 K CA -1.212 55.096 56.287 0.035 0.000 0.949 5 K CB 0.581 33.106 32.500 0.041 0.000 0.976 5 K HN 0.464 nan 8.250 nan 0.000 0.472 6 P HA -0.015 nan 4.420 nan 0.000 0.269 6 P C -1.191 176.126 177.300 0.027 0.000 1.209 6 P CA -0.101 63.020 63.100 0.034 0.000 0.776 6 P CB 0.861 32.590 31.700 0.048 0.000 0.876 7 Q N 0.882 120.687 119.800 0.008 0.000 2.282 7 Q HA 0.453 4.793 4.340 -0.000 0.000 0.260 7 Q C -0.648 175.325 176.000 -0.045 0.000 0.964 7 Q CA -0.806 54.990 55.803 -0.012 0.000 0.880 7 Q CB 1.151 29.881 28.738 -0.013 0.000 1.286 7 Q HN 0.364 nan 8.270 nan 0.000 0.445 8 L N 1.823 122.994 121.223 -0.086 0.000 2.426 8 L HA 0.340 4.680 4.340 -0.000 0.000 0.271 8 L C -0.511 176.274 176.870 -0.143 0.000 1.169 8 L CA 0.706 55.436 54.840 -0.184 0.000 0.836 8 L CB 0.963 42.850 42.059 -0.286 0.000 1.112 8 L HN 0.561 nan 8.230 nan 0.000 0.465 9 T N 6.077 120.538 114.554 -0.156 0.000 2.749 9 T HA 0.441 4.791 4.350 -0.000 0.000 0.287 9 T C -0.742 173.880 174.700 -0.129 0.000 0.970 9 T CA -0.197 61.838 62.100 -0.109 0.000 0.980 9 T CB 0.814 69.633 68.868 -0.082 0.000 0.924 9 T HN 0.400 nan 8.240 nan 0.000 0.456 10 L N 5.578 126.742 121.223 -0.098 0.000 2.277 10 L HA 0.526 4.866 4.340 -0.000 0.000 0.284 10 L C -1.217 175.618 176.870 -0.058 0.000 1.028 10 L CA -0.683 54.104 54.840 -0.088 0.000 0.835 10 L CB 0.551 42.565 42.059 -0.075 0.000 1.215 10 L HN 0.427 nan 8.230 nan 0.000 0.425 11 L N 5.371 126.562 121.223 -0.053 0.000 2.326 11 L HA 0.480 4.820 4.340 -0.000 0.000 0.278 11 L C -0.130 176.725 176.870 -0.026 0.000 1.092 11 L CA 0.142 54.960 54.840 -0.037 0.000 0.810 11 L CB 1.035 43.072 42.059 -0.036 0.000 1.153 11 L HN 0.521 nan 8.230 nan 0.000 0.439 12 K N 2.487 122.876 120.400 -0.019 0.000 2.378 12 K HA 0.781 5.101 4.320 -0.000 0.000 0.252 12 K C -1.460 175.136 176.600 -0.006 0.000 0.931 12 K CA -0.721 55.559 56.287 -0.011 0.000 0.794 12 K CB 2.767 35.261 32.500 -0.010 0.000 1.181 12 K HN 0.229 nan 8.250 nan 0.000 0.425 13 V N 1.775 121.688 119.914 -0.002 0.000 2.962 13 V HA 0.236 4.356 4.120 -0.000 0.000 0.313 13 V C -0.545 175.553 176.094 0.005 0.000 1.099 13 V CA -0.908 61.393 62.300 0.003 0.000 0.971 13 V CB 2.160 33.986 31.823 0.005 0.000 1.028 13 V HN 0.711 nan 8.190 nan 0.000 0.430 14 Q N 2.116 121.921 119.800 0.008 0.000 2.373 14 Q HA 0.638 4.978 4.340 -0.000 0.000 0.255 14 Q C -0.507 175.500 176.000 0.013 0.000 0.980 14 Q CA 0.388 56.198 55.803 0.011 0.000 0.882 14 Q CB 1.363 30.109 28.738 0.012 0.000 1.249 14 Q HN 1.031 nan 8.270 nan 0.000 0.438 15 A N 2.604 125.436 122.820 0.019 0.000 2.422 15 A HA 0.675 4.995 4.320 -0.000 0.000 0.302 15 A C -0.973 176.633 177.584 0.037 0.000 1.041 15 A CA -0.403 51.646 52.037 0.020 0.000 0.708 15 A CB 1.428 20.437 19.000 0.015 0.000 1.257 15 A HN 0.882 nan 8.150 nan 0.000 0.414 16 S N 1.104 116.826 115.700 0.037 0.000 2.585 16 S HA 0.558 5.028 4.470 -0.000 0.000 0.277 16 S C -0.307 174.345 174.600 0.086 0.000 1.241 16 S CA -0.485 57.755 58.200 0.066 0.000 1.041 16 S CB 0.718 63.949 63.200 0.051 0.000 0.987 16 S HN 0.900 nan 8.310 nan 0.000 0.512 17 Y N 2.334 122.637 120.300 0.006 0.000 2.397 17 Y HA 0.446 4.996 4.550 -0.000 0.000 0.335 17 Y C 0.333 176.249 175.900 0.027 0.000 1.213 17 Y CA -0.074 58.033 58.100 0.011 0.000 1.391 17 Y CB 0.581 39.047 38.460 0.010 0.000 1.293 17 Y HN 0.598 nan 8.280 nan 0.000 0.557 18 R N 3.109 123.096 120.500 -0.854 0.000 2.621 18 R HA 0.307 4.647 4.340 -0.000 0.000 0.284 18 R C -0.089 175.696 176.300 -0.859 0.000 0.998 18 R CA -0.190 55.576 56.100 -0.556 0.000 0.895 18 R CB 1.764 31.915 30.300 -0.248 0.000 1.195 18 R HN 0.991 nan 8.270 nan 0.000 0.450 19 G N 1.135 109.720 108.800 -0.358 0.000 3.502 19 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.267 19 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.267 19 G C -0.108 174.766 174.900 -0.043 0.000 1.090 19 G CA -0.208 44.843 45.100 -0.082 0.000 0.795 19 G HN 0.539 nan 8.290 nan 0.000 0.535 20 D N 0.428 120.790 120.400 -0.064 0.000 3.018 20 D HA 0.166 4.806 4.640 -0.000 0.000 0.331 20 D C -1.493 174.801 176.300 -0.011 0.000 1.334 20 D CA -1.587 52.392 54.000 -0.036 0.000 0.900 20 D CB 1.212 41.997 40.800 -0.025 0.000 1.059 20 D HN 0.108 nan 8.370 nan 0.000 0.498 21 P HA -0.271 nan 4.420 nan 0.000 0.216 21 P C 1.409 178.767 177.300 0.097 0.000 1.154 21 P CA 1.882 65.025 63.100 0.071 0.000 0.865 21 P CB -0.140 31.632 31.700 0.120 0.000 0.789 22 T N -3.577 111.009 114.554 0.054 0.000 2.904 22 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 22 T C 1.871 176.622 174.700 0.086 0.000 1.059 22 T CA 1.707 63.839 62.100 0.053 0.000 1.137 22 T CB -1.625 67.228 68.868 -0.024 0.000 0.879 22 T HN 0.075 nan 8.240 nan 0.000 0.467 23 T N 2.283 116.868 114.554 0.051 0.000 2.777 23 T HA 0.066 4.415 4.350 -0.000 0.000 0.266 23 T C 1.778 176.533 174.700 0.092 0.000 1.040 23 T CA 0.954 63.093 62.100 0.065 0.000 1.141 23 T CB -0.472 68.411 68.868 0.025 0.000 0.868 23 T HN 0.173 nan 8.240 nan 0.000 0.444 24 L N 0.721 121.985 121.223 0.068 0.000 2.046 24 L HA 0.094 4.434 4.340 -0.000 0.000 0.208 24 L C 2.001 178.905 176.870 0.057 0.000 1.077 24 L CA 1.516 56.382 54.840 0.043 0.000 0.747 24 L CB -0.888 41.185 42.059 0.024 0.000 0.896 24 L HN 0.234 nan 8.230 nan 0.000 0.432 25 F N -0.530 119.413 119.950 -0.013 0.000 2.161 25 F HA -0.285 4.242 4.527 -0.000 0.000 0.300 25 F C 2.567 178.354 175.800 -0.021 0.000 1.089 25 F CA 2.138 60.124 58.000 -0.023 0.000 1.282 25 F CB -0.325 38.641 39.000 -0.057 0.000 1.010 25 F HN 0.389 nan 8.300 nan 0.000 0.485 26 H N -0.116 118.962 119.070 0.015 0.000 2.333 26 H HA -0.129 4.427 4.556 -0.000 0.000 0.302 26 H C 2.382 177.644 175.328 -0.111 0.000 1.075 26 H CA 2.210 58.224 56.048 -0.057 0.000 1.348 26 H CB -0.512 29.247 29.762 -0.004 0.000 1.393 26 H HN 0.445 nan 8.280 nan 0.000 0.509 27 Q N -0.134 119.589 119.800 -0.128 0.000 2.135 27 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 27 Q C 1.703 177.579 176.000 -0.206 0.000 0.981 27 Q CA 1.979 57.688 55.803 -0.157 0.000 0.856 27 Q CB 0.040 28.746 28.738 -0.054 0.000 0.902 27 Q HN 0.580 nan 8.270 nan 0.000 0.425 28 L N -1.638 119.452 121.223 -0.221 0.000 2.463 28 L HA 0.088 4.428 4.340 -0.000 0.000 0.219 28 L C 1.754 178.440 176.870 -0.308 0.000 1.088 28 L CA -0.065 54.641 54.840 -0.222 0.000 0.849 28 L CB 0.438 42.396 42.059 -0.167 0.000 1.012 28 L HN 0.272 nan 8.230 nan 0.000 0.468 29 C N -0.567 118.443 119.300 -0.482 0.000 3.403 29 C HA 0.459 4.919 4.460 -0.000 0.000 0.317 29 C C 1.932 176.676 174.990 -0.410 0.000 1.346 29 C CA -0.154 58.539 59.018 -0.541 0.000 1.743 29 C CB -0.185 26.915 27.740 -1.066 0.000 2.308 29 C HN 0.692 nan 8.230 nan 0.000 0.675 30 G N 1.983 110.526 108.800 -0.429 0.000 2.684 30 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.332 30 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.332 30 G C 0.972 175.815 174.900 -0.094 0.000 1.306 30 G CA 1.062 45.967 45.100 -0.326 0.000 1.002 30 G HN 1.090 nan 8.290 nan 0.000 0.545 31 A N -0.259 122.539 122.820 -0.037 0.000 2.387 31 A HA 0.557 4.877 4.320 -0.000 0.000 0.234 31 A C 1.298 178.886 177.584 0.007 0.000 1.253 31 A CA 0.882 52.943 52.037 0.041 0.000 0.894 31 A CB 0.021 19.051 19.000 0.050 0.000 0.963 31 A HN 0.594 nan 8.150 nan 0.000 0.508 32 R N 1.842 122.311 120.500 -0.053 0.000 2.502 32 R HA 0.103 4.443 4.340 -0.000 0.000 0.292 32 R C -2.226 174.038 176.300 -0.058 0.000 0.998 32 R CA -0.824 55.232 56.100 -0.073 0.000 1.056 32 R CB 0.446 30.674 30.300 -0.119 0.000 0.939 32 R HN 0.303 nan 8.270 nan 0.000 0.411 33 P HA 0.041 nan 4.420 nan 0.000 0.277 33 P C -0.841 176.311 177.300 -0.247 0.000 1.271 33 P CA 0.016 63.039 63.100 -0.128 0.000 0.795 33 P CB 0.726 32.345 31.700 -0.134 0.000 1.101 34 A N -1.186 121.355 122.820 -0.465 0.000 2.739 34 A HA -0.095 4.225 4.320 -0.000 0.000 0.296 34 A C 0.455 177.692 177.584 -0.578 0.000 1.488 34 A CA 1.231 52.613 52.037 -1.093 0.000 0.746 34 A CB -2.867 15.629 19.000 -0.840 0.000 1.047 34 A HN 0.808 nan 8.150 nan 0.000 0.477 35 T N -2.406 112.071 114.554 -0.128 0.000 2.908 35 T HA 0.830 5.180 4.350 -0.000 0.000 0.290 35 T C -0.649 174.315 174.700 0.440 0.000 1.034 35 T CA -0.283 61.925 62.100 0.181 0.000 1.010 35 T CB 2.144 71.129 68.868 0.194 0.000 1.068 35 T HN 1.780 nan 8.240 nan 0.000 0.481 36 L N 1.602 123.110 121.223 0.476 0.000 2.505 36 L HA 0.825 5.165 4.340 -0.000 0.000 0.259 36 L C -2.311 174.734 176.870 0.292 0.000 0.952 36 L CA -0.951 54.105 54.840 0.360 0.000 0.840 36 L CB 2.223 44.462 42.059 0.300 0.000 1.358 36 L HN 0.858 nan 8.230 nan 0.000 0.409 37 L N 5.108 126.412 121.223 0.135 0.000 2.372 37 L HA 0.684 5.024 4.340 -0.000 0.000 0.274 37 L C -1.945 175.012 176.870 0.144 0.000 0.988 37 L CA -0.196 54.702 54.840 0.097 0.000 0.833 37 L CB 1.510 43.508 42.059 -0.103 0.000 1.236 37 L HN 0.592 nan 8.230 nan 0.000 0.410 38 L N 5.264 126.589 121.223 0.170 0.000 2.319 38 L HA 0.602 4.942 4.340 -0.000 0.000 0.281 38 L C -0.464 176.542 176.870 0.226 0.000 1.005 38 L CA -0.425 54.555 54.840 0.234 0.000 0.828 38 L CB 1.654 43.838 42.059 0.208 0.000 1.227 38 L HN 0.612 nan 8.230 nan 0.000 0.415 39 E N 2.092 122.460 120.200 0.280 0.000 2.256 39 E HA 0.564 4.914 4.350 -0.000 0.000 0.267 39 E C -1.040 175.675 176.600 0.193 0.000 0.892 39 E CA -0.741 55.800 56.400 0.236 0.000 0.775 39 E CB 2.539 32.387 29.700 0.246 0.000 1.207 39 E HN 0.558 nan 8.360 nan 0.000 0.420 40 S N 0.451 116.230 115.700 0.132 0.000 2.607 40 S HA 0.913 5.383 4.470 -0.000 0.000 0.303 40 S C -0.637 173.992 174.600 0.049 0.000 1.086 40 S CA -0.777 57.443 58.200 0.033 0.000 0.995 40 S CB 1.984 65.168 63.200 -0.026 0.000 1.084 40 S HN 0.657 nan 8.310 nan 0.000 0.507 41 A N 0.802 123.627 122.820 0.008 0.000 2.587 41 A HA 0.727 5.047 4.320 -0.000 0.000 0.293 41 A C -0.959 176.628 177.584 0.005 0.000 1.087 41 A CA -0.820 51.231 52.037 0.023 0.000 0.692 41 A CB 1.076 20.096 19.000 0.033 0.000 1.291 41 A HN 0.864 nan 8.150 nan 0.000 0.407 42 E N 0.571 120.777 120.200 0.010 0.000 2.360 42 E HA 0.279 4.629 4.350 -0.000 0.000 0.269 42 E C 0.808 177.413 176.600 0.008 0.000 1.022 42 E CA -0.045 56.359 56.400 0.007 0.000 0.887 42 E CB 0.446 30.151 29.700 0.008 0.000 0.990 42 E HN 0.508 nan 8.360 nan 0.000 0.426 43 I N 3.464 124.045 120.570 0.018 0.000 2.127 43 I HA -0.342 3.827 4.170 -0.000 0.000 0.241 43 I C 1.537 177.634 176.117 -0.033 0.000 1.075 43 I CA 0.949 62.265 61.300 0.026 0.000 1.334 43 I CB -0.254 37.793 38.000 0.079 0.000 1.040 43 I HN 0.583 nan 8.210 nan 0.000 0.405 44 N N 1.156 119.847 118.700 -0.015 0.000 2.092 44 N HA -0.165 4.575 4.740 -0.000 0.000 0.189 44 N C 1.376 176.856 175.510 -0.049 0.000 1.040 44 N CA 1.923 54.951 53.050 -0.036 0.000 0.845 44 N CB -0.699 37.782 38.487 -0.009 0.000 1.017 44 N HN 0.500 nan 8.380 nan 0.000 0.426 45 D N 0.333 120.715 120.400 -0.029 0.000 2.347 45 D HA -0.037 4.603 4.640 -0.000 0.000 0.215 45 D C 0.125 176.405 176.300 -0.034 0.000 0.976 45 D CA 0.423 54.405 54.000 -0.030 0.000 0.884 45 D CB 0.035 40.825 40.800 -0.016 0.000 0.915 45 D HN -0.100 nan 8.370 nan 0.000 0.526 46 K N -0.607 119.774 120.400 -0.032 0.000 3.274 46 K HA -0.219 4.101 4.320 -0.000 0.000 0.300 46 K C -0.489 176.102 176.600 -0.015 0.000 1.230 46 K CA 0.548 56.821 56.287 -0.025 0.000 0.884 46 K CB -2.459 30.017 32.500 -0.040 0.000 1.242 46 K HN 0.549 nan 8.250 nan 0.000 0.467 47 Q N 0.747 120.543 119.800 -0.008 0.000 2.332 47 Q HA 0.146 4.486 4.340 -0.000 0.000 0.263 47 Q C -0.019 175.988 176.000 0.012 0.000 0.979 47 Q CA -0.086 55.717 55.803 -0.000 0.000 0.885 47 Q CB 0.475 29.218 28.738 0.008 0.000 1.218 47 Q HN 0.190 nan 8.270 nan 0.000 0.405 48 N N 1.804 120.505 118.700 0.002 0.000 2.492 48 N HA 0.001 4.741 4.740 -0.000 0.000 0.262 48 N C 0.187 175.774 175.510 0.128 0.000 1.202 48 N CA 0.043 53.100 53.050 0.012 0.000 0.926 48 N CB 0.788 39.178 38.487 -0.162 0.000 1.078 48 N HN 0.436 nan 8.380 nan 0.000 0.454 49 L N 0.679 122.008 121.223 0.177 0.000 2.738 49 L HA 0.215 4.554 4.340 -0.000 0.000 0.178 49 L C 0.608 177.622 176.870 0.240 0.000 1.281 49 L CA 0.342 55.286 54.840 0.175 0.000 0.864 49 L CB -0.043 42.069 42.059 0.088 0.000 1.224 49 L HN 0.502 nan 8.230 nan 0.000 0.520 50 Q N -0.395 119.532 119.800 0.212 0.000 2.433 50 Q HA 0.494 4.834 4.340 -0.000 0.000 0.279 50 Q C -1.431 174.682 176.000 0.189 0.000 1.105 50 Q CA -0.367 55.504 55.803 0.112 0.000 0.815 50 Q CB 2.829 31.603 28.738 0.060 0.000 1.403 50 Q HN 0.123 nan 8.270 nan 0.000 0.435 51 S N 1.358 117.120 115.700 0.103 0.000 2.614 51 S HA 0.498 4.968 4.470 -0.000 0.000 0.288 51 S C -1.278 173.363 174.600 0.068 0.000 1.137 51 S CA -0.600 57.703 58.200 0.171 0.000 0.992 51 S CB 0.852 64.230 63.200 0.296 0.000 1.026 51 S HN 0.288 nan 8.310 nan 0.000 0.486 52 L N 3.407 124.666 121.223 0.060 0.000 2.287 52 L HA 0.599 4.939 4.340 -0.000 0.000 0.287 52 L C -0.766 176.141 176.870 0.062 0.000 1.022 52 L CA -0.433 54.407 54.840 -0.001 0.000 0.814 52 L CB 1.125 43.115 42.059 -0.115 0.000 1.217 52 L HN 0.526 nan 8.230 nan 0.000 0.420 53 L N 5.093 126.359 121.223 0.072 0.000 2.316 53 L HA 0.520 4.860 4.340 -0.000 0.000 0.280 53 L C -0.632 176.305 176.870 0.113 0.000 1.006 53 L CA -0.354 54.571 54.840 0.141 0.000 0.836 53 L CB 1.663 43.815 42.059 0.155 0.000 1.221 53 L HN 0.288 nan 8.230 nan 0.000 0.418 54 V N 7.531 127.535 119.914 0.149 0.000 2.338 54 V HA 0.146 4.266 4.120 -0.000 0.000 0.255 54 V C 1.514 177.674 176.094 0.111 0.000 1.082 54 V CA 0.087 62.459 62.300 0.120 0.000 0.951 54 V CB 0.259 32.178 31.823 0.160 0.000 1.102 54 V HN 0.779 nan 8.190 nan 0.000 0.489 55 I N 1.845 122.444 120.570 0.049 0.000 2.233 55 I HA 0.001 4.170 4.170 -0.000 0.000 0.243 55 I C 0.418 176.515 176.117 -0.034 0.000 1.093 55 I CA 1.257 62.549 61.300 -0.014 0.000 1.380 55 I CB 0.155 38.137 38.000 -0.030 0.000 1.067 55 I HN 0.534 nan 8.210 nan 0.000 0.413 56 D N 0.293 120.686 120.400 -0.011 0.000 2.646 56 D HA 0.351 4.991 4.640 -0.000 0.000 0.245 56 D C -0.935 175.364 176.300 -0.001 0.000 1.099 56 D CA -0.169 53.817 54.000 -0.023 0.000 0.849 56 D CB 2.194 42.985 40.800 -0.016 0.000 1.448 56 D HN -0.131 nan 8.370 nan 0.000 0.489 57 S N 0.318 115.997 115.700 -0.036 0.000 2.525 57 S HA 0.516 4.986 4.470 -0.000 0.000 0.290 57 S C 0.874 175.465 174.600 -0.014 0.000 1.152 57 S CA -0.570 57.619 58.200 -0.018 0.000 1.072 57 S CB 1.946 65.089 63.200 -0.096 0.000 1.027 57 S HN 0.565 nan 8.310 nan 0.000 0.500 58 A N 2.708 125.531 122.820 0.005 0.000 1.984 58 A HA 0.470 4.790 4.320 -0.000 0.000 0.214 58 A C 0.337 177.891 177.584 -0.049 0.000 1.173 58 A CA 0.609 52.636 52.037 -0.016 0.000 0.673 58 A CB -0.046 18.940 19.000 -0.022 0.000 0.830 58 A HN 0.677 nan 8.150 nan 0.000 0.453 59 L N -1.675 119.525 121.223 -0.039 0.000 2.469 59 L HA 0.530 4.870 4.340 -0.000 0.000 0.256 59 L C -0.435 176.474 176.870 0.065 0.000 1.006 59 L CA -0.891 53.942 54.840 -0.012 0.000 0.832 59 L CB 2.313 44.347 42.059 -0.042 0.000 1.421 59 L HN 0.259 nan 8.230 nan 0.000 0.410 60 R N 1.604 122.160 120.500 0.092 0.000 2.513 60 R HA 0.793 5.133 4.340 -0.000 0.000 0.301 60 R C -1.910 174.505 176.300 0.192 0.000 0.968 60 R CA -0.441 55.779 56.100 0.200 0.000 0.872 60 R CB 1.489 31.861 30.300 0.121 0.000 1.177 60 R HN 0.573 nan 8.270 nan 0.000 0.444 61 I N 3.631 124.359 120.570 0.264 0.000 2.447 61 I HA 0.352 4.522 4.170 -0.000 0.000 0.287 61 I C -0.223 176.114 176.117 0.366 0.000 1.023 61 I CA -0.442 61.028 61.300 0.284 0.000 1.083 61 I CB 2.307 40.498 38.000 0.319 0.000 1.245 61 I HN 0.725 nan 8.210 nan 0.000 0.434 62 T N 2.279 116.961 114.554 0.214 0.000 2.930 62 T HA 0.980 5.330 4.350 -0.000 0.000 0.290 62 T C -0.575 173.960 174.700 -0.274 0.000 1.052 62 T CA -0.929 61.211 62.100 0.067 0.000 1.017 62 T CB 2.239 71.142 68.868 0.058 0.000 1.137 62 T HN 0.761 nan 8.240 nan 0.000 0.511 63 A N 0.795 123.257 122.820 -0.596 0.000 2.539 63 A HA 0.865 5.185 4.320 -0.000 0.000 0.296 63 A C -1.809 175.544 177.584 -0.386 0.000 1.073 63 A CA -0.873 50.746 52.037 -0.696 0.000 0.700 63 A CB 1.839 19.937 19.000 -1.503 0.000 1.296 63 A HN 1.185 nan 8.150 nan 0.000 0.405 64 L N 1.047 122.118 121.223 -0.253 0.000 2.710 64 L HA 0.627 4.967 4.340 -0.000 0.000 0.262 64 L C 0.581 177.369 176.870 -0.138 0.000 0.940 64 L CA 1.555 56.301 54.840 -0.156 0.000 0.944 64 L CB 1.278 43.283 42.059 -0.090 0.000 1.348 64 L HN 2.485 nan 8.230 nan 0.000 0.425 65 G N 3.593 112.291 108.800 -0.169 0.000 2.561 65 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.289 65 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.289 65 G C 0.621 175.337 174.900 -0.308 0.000 1.169 65 G CA 0.456 45.409 45.100 -0.246 0.000 0.980 65 G HN 0.819 nan 8.290 nan 0.000 0.550 66 H N 1.766 120.822 119.070 -0.024 0.000 2.539 66 H HA 0.233 4.789 4.556 -0.000 0.000 0.269 66 H C 0.817 176.217 175.328 0.122 0.000 0.980 66 H CA 1.289 57.361 56.048 0.040 0.000 1.152 66 H CB -0.085 29.710 29.762 0.055 0.000 1.407 66 H HN 0.478 nan 8.280 nan 0.000 0.564 67 T N 1.044 115.670 114.554 0.120 0.000 2.867 67 T HA 0.452 4.802 4.350 -0.000 0.000 0.282 67 T C 0.233 174.956 174.700 0.039 0.000 1.000 67 T CA -0.632 61.534 62.100 0.111 0.000 1.042 67 T CB 2.645 71.544 68.868 0.051 0.000 0.973 67 T HN -0.162 nan 8.240 nan 0.000 0.465 68 V N 2.377 122.366 119.914 0.125 0.000 2.447 68 V HA 0.452 4.572 4.120 -0.000 0.000 0.292 68 V C 0.079 176.228 176.094 0.092 0.000 1.021 68 V CA -0.827 61.516 62.300 0.072 0.000 0.850 68 V CB 1.685 33.654 31.823 0.242 0.000 1.005 68 V HN 1.009 nan 8.190 nan 0.000 0.426 69 S N 4.901 120.628 115.700 0.045 0.000 2.439 69 S HA 0.581 5.050 4.470 -0.000 0.000 0.282 69 S C -0.479 174.177 174.600 0.094 0.000 1.170 69 S CA -0.383 57.855 58.200 0.063 0.000 1.054 69 S CB 0.771 63.997 63.200 0.043 0.000 0.956 69 S HN 0.494 nan 8.310 nan 0.000 0.490 70 V N 6.447 126.414 119.914 0.087 0.000 2.370 70 V HA 0.446 4.566 4.120 -0.000 0.000 0.283 70 V C -0.376 175.752 176.094 0.057 0.000 1.023 70 V CA -0.652 61.700 62.300 0.087 0.000 0.857 70 V CB 1.367 33.238 31.823 0.080 0.000 0.985 70 V HN 0.869 nan 8.190 nan 0.000 0.443 71 Q N 3.108 122.940 119.800 0.053 0.000 2.325 71 Q HA 0.736 5.076 4.340 -0.000 0.000 0.270 71 Q C -0.200 175.808 176.000 0.014 0.000 1.020 71 Q CA -0.382 55.439 55.803 0.030 0.000 0.785 71 Q CB 2.279 31.035 28.738 0.030 0.000 1.259 71 Q HN 0.915 nan 8.270 nan 0.000 0.452 72 A N 2.694 125.516 122.820 0.003 0.000 2.351 72 A HA 0.461 4.781 4.320 -0.000 0.000 0.257 72 A C 0.197 177.773 177.584 -0.013 0.000 1.087 72 A CA -0.201 51.831 52.037 -0.010 0.000 0.798 72 A CB 0.308 19.304 19.000 -0.008 0.000 1.033 72 A HN 0.935 nan 8.150 nan 0.000 0.488 73 L N 0.343 121.554 121.223 -0.020 0.000 2.948 73 L HA 0.201 4.541 4.340 -0.000 0.000 0.259 73 L C 0.872 177.731 176.870 -0.018 0.000 1.136 73 L CA 0.685 55.509 54.840 -0.026 0.000 0.959 73 L CB 0.117 42.149 42.059 -0.045 0.000 1.370 73 L HN 0.901 nan 8.230 nan 0.000 0.552 74 T N -4.563 109.986 114.554 -0.008 0.000 2.804 74 T HA 0.625 4.975 4.350 -0.000 0.000 0.290 74 T C 0.716 175.422 174.700 0.011 0.000 1.099 74 T CA 0.011 62.113 62.100 0.003 0.000 1.011 74 T CB 2.285 71.161 68.868 0.014 0.000 1.291 74 T HN -0.110 nan 8.240 nan 0.000 0.523 75 A N 0.473 123.304 122.820 0.018 0.000 2.014 75 A HA 0.032 4.351 4.320 -0.000 0.000 0.218 75 A C 2.113 179.720 177.584 0.038 0.000 1.163 75 A CA 1.723 53.773 52.037 0.022 0.000 0.652 75 A CB -1.350 17.662 19.000 0.020 0.000 0.808 75 A HN 0.852 nan 8.150 nan 0.000 0.449 76 N N 0.384 119.116 118.700 0.053 0.000 2.043 76 N HA -0.101 4.639 4.740 -0.000 0.000 0.193 76 N C 1.786 177.352 175.510 0.094 0.000 1.037 76 N CA 2.236 55.346 53.050 0.101 0.000 0.851 76 N CB -0.652 37.909 38.487 0.124 0.000 1.027 76 N HN 0.287 nan 8.380 nan 0.000 0.422 77 G N 0.807 109.627 108.800 0.033 0.000 2.433 77 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 77 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 77 G C -0.660 174.223 174.900 -0.029 0.000 1.186 77 G CA 0.909 45.987 45.100 -0.037 0.000 0.779 77 G HN 0.454 nan 8.290 nan 0.000 0.543 78 P HA -0.098 nan 4.420 nan 0.000 0.218 78 P C 1.870 179.178 177.300 0.013 0.000 1.146 78 P CA 1.777 64.878 63.100 0.003 0.000 0.813 78 P CB -0.189 31.516 31.700 0.008 0.000 0.778 79 A N -0.104 122.734 122.820 0.030 0.000 2.084 79 A HA -0.136 4.184 4.320 -0.000 0.000 0.221 79 A C 2.308 179.920 177.584 0.047 0.000 1.161 79 A CA 1.249 53.315 52.037 0.049 0.000 0.653 79 A CB -1.452 17.597 19.000 0.082 0.000 0.802 79 A HN 0.230 nan 8.150 nan 0.000 0.457 80 L N -0.951 120.283 121.223 0.017 0.000 2.375 80 L HA 0.014 4.354 4.340 -0.000 0.000 0.215 80 L C 2.215 179.089 176.870 0.008 0.000 1.108 80 L CA 0.118 54.959 54.840 0.003 0.000 0.830 80 L CB -0.359 41.648 42.059 -0.086 0.000 0.959 80 L HN 0.362 nan 8.230 nan 0.000 0.457 81 L N 0.633 121.860 121.223 0.006 0.000 1.989 81 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 81 L C -0.078 176.804 176.870 0.019 0.000 1.071 81 L CA 1.506 56.353 54.840 0.013 0.000 0.749 81 L CB -2.275 39.791 42.059 0.011 0.000 0.890 81 L HN 0.249 nan 8.230 nan 0.000 0.431 82 P HA -0.172 nan 4.420 nan 0.000 0.217 82 P C 1.995 179.311 177.300 0.027 0.000 1.150 82 P CA 1.490 64.603 63.100 0.022 0.000 0.832 82 P CB 0.043 31.756 31.700 0.022 0.000 0.787 83 L N -0.770 120.473 121.223 0.034 0.000 2.083 83 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 83 L C 2.797 179.692 176.870 0.041 0.000 1.083 83 L CA 1.022 55.887 54.840 0.041 0.000 0.752 83 L CB -0.926 41.166 42.059 0.054 0.000 0.899 83 L HN -0.014 nan 8.230 nan 0.000 0.433 84 L N -0.088 121.157 121.223 0.038 0.000 2.027 84 L HA -0.218 4.122 4.340 -0.000 0.000 0.206 84 L C 2.156 179.047 176.870 0.036 0.000 1.074 84 L CA 1.929 56.794 54.840 0.043 0.000 0.745 84 L CB -0.705 41.379 42.059 0.041 0.000 0.898 84 L HN 0.336 nan 8.230 nan 0.000 0.433 85 D N 0.047 120.462 120.400 0.025 0.000 2.116 85 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 85 D C 2.077 178.387 176.300 0.016 0.000 0.998 85 D CA 1.330 55.339 54.000 0.015 0.000 0.836 85 D CB -0.035 40.771 40.800 0.011 0.000 0.951 85 D HN 0.439 nan 8.370 nan 0.000 0.449 86 E N 0.696 120.909 120.200 0.022 0.000 2.046 86 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 86 E C 2.191 178.808 176.600 0.029 0.000 0.982 86 E CA 0.747 57.160 56.400 0.022 0.000 0.800 86 E CB -0.277 29.438 29.700 0.025 0.000 0.756 86 E HN 0.204 nan 8.360 nan 0.000 0.449 87 A N 1.592 124.435 122.820 0.038 0.000 2.024 87 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 87 A C 1.535 179.150 177.584 0.052 0.000 1.164 87 A CA 0.559 52.625 52.037 0.048 0.000 0.643 87 A CB -0.579 18.457 19.000 0.058 0.000 0.806 87 A HN 0.113 nan 8.150 nan 0.000 0.451 88 L N 1.482 122.732 121.223 0.045 0.000 2.426 88 L HA 0.192 4.532 4.340 -0.000 0.000 0.271 88 L C -1.797 175.088 176.870 0.024 0.000 1.169 88 L CA -1.741 53.124 54.840 0.042 0.000 0.836 88 L CB 0.323 42.391 42.059 0.014 0.000 1.112 88 L HN 0.205 nan 8.230 nan 0.000 0.465 89 P HA 0.089 nan 4.420 nan 0.000 0.271 89 P C -2.160 175.133 177.300 -0.012 0.000 1.216 89 P CA -1.403 61.711 63.100 0.023 0.000 0.776 89 P CB 0.505 32.234 31.700 0.048 0.000 0.881 90 P HA -0.189 nan 4.420 nan 0.000 0.218 90 P C 0.801 178.075 177.300 -0.044 0.000 1.146 90 P CA 1.544 64.629 63.100 -0.025 0.000 0.820 90 P CB 0.127 31.819 31.700 -0.013 0.000 0.778 91 E N -0.424 119.753 120.200 -0.038 0.000 2.409 91 E HA -0.012 4.338 4.350 -0.000 0.000 0.198 91 E C 0.519 177.052 176.600 -0.112 0.000 1.024 91 E CA 0.258 56.627 56.400 -0.051 0.000 0.861 91 E CB -0.600 29.089 29.700 -0.018 0.000 0.788 91 E HN 0.155 nan 8.360 nan 0.000 0.521 92 V N 2.034 121.849 119.914 -0.166 0.000 2.389 92 V HA 0.125 4.245 4.120 -0.000 0.000 0.264 92 V C 0.421 176.369 176.094 -0.243 0.000 1.049 92 V CA -0.568 61.533 62.300 -0.333 0.000 0.932 92 V CB 0.895 32.442 31.823 -0.460 0.000 1.011 92 V HN 0.085 nan 8.190 nan 0.000 0.475 93 R N 4.475 124.842 120.500 -0.223 0.000 2.421 93 R HA 0.095 4.435 4.340 -0.000 0.000 0.305 93 R C 0.225 176.445 176.300 -0.132 0.000 1.039 93 R CA 0.219 56.235 56.100 -0.139 0.000 1.003 93 R CB 0.050 30.288 30.300 -0.104 0.000 0.959 93 R HN 0.838 nan 8.270 nan 0.000 0.427 94 N N 3.691 122.338 118.700 -0.088 0.000 2.706 94 N HA 0.060 4.800 4.740 -0.000 0.000 0.240 94 N C -1.105 174.385 175.510 -0.033 0.000 1.039 94 N CA -0.437 52.577 53.050 -0.060 0.000 0.888 94 N CB 0.756 39.212 38.487 -0.052 0.000 1.128 94 N HN 0.541 nan 8.380 nan 0.000 0.512 95 Q N 2.152 121.937 119.800 -0.024 0.000 2.344 95 Q HA 0.268 4.608 4.340 -0.000 0.000 0.253 95 Q C -0.059 175.938 176.000 -0.004 0.000 1.050 95 Q CA -0.388 55.407 55.803 -0.013 0.000 0.912 95 Q CB 1.339 30.071 28.738 -0.009 0.000 1.258 95 Q HN 0.582 nan 8.270 nan 0.000 0.443 96 A N 4.239 127.057 122.820 -0.003 0.000 2.346 96 A HA 0.591 4.911 4.320 -0.000 0.000 0.252 96 A C 0.114 177.700 177.584 0.004 0.000 1.089 96 A CA -0.142 51.896 52.037 0.002 0.000 0.797 96 A CB 0.511 19.512 19.000 0.001 0.000 1.047 96 A HN 0.910 nan 8.150 nan 0.000 0.494 97 R N -0.797 119.707 120.500 0.006 0.000 2.728 97 R HA 0.507 4.847 4.340 -0.000 0.000 0.274 97 R C -3.411 172.893 176.300 0.007 0.000 1.030 97 R CA -1.724 54.379 56.100 0.006 0.000 0.876 97 R CB 0.201 30.506 30.300 0.008 0.000 1.259 97 R HN 0.342 nan 8.270 nan 0.000 0.468 98 P HA 0.217 nan 4.420 nan 0.000 0.271 98 P C -0.919 176.385 177.300 0.006 0.000 1.233 98 P CA 0.091 63.194 63.100 0.005 0.000 0.764 98 P CB 0.225 31.928 31.700 0.004 0.000 0.825 99 N N 0.460 119.164 118.700 0.006 0.000 2.782 99 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 99 N C 0.380 175.895 175.510 0.008 0.000 1.101 99 N CA 0.715 53.768 53.050 0.005 0.000 0.764 99 N CB -1.263 37.225 38.487 0.003 0.000 1.122 99 N HN 0.686 nan 8.380 nan 0.000 0.561 100 G N -0.823 107.984 108.800 0.011 0.000 2.608 100 G HA2 0.738 4.697 3.960 -0.000 0.000 0.291 100 G HA3 0.738 4.697 3.960 -0.000 0.000 0.291 100 G C -1.717 173.194 174.900 0.018 0.000 1.425 100 G CA -0.753 44.357 45.100 0.017 0.000 0.787 100 G HN 0.035 nan 8.290 nan 0.000 0.484 101 R N 0.160 120.675 120.500 0.026 0.000 2.626 101 R HA 0.460 4.800 4.340 -0.000 0.000 0.274 101 R C -1.580 174.739 176.300 0.032 0.000 1.031 101 R CA -0.790 55.325 56.100 0.025 0.000 0.898 101 R CB 2.375 32.692 30.300 0.028 0.000 1.222 101 R HN 0.544 nan 8.270 nan 0.000 0.455 102 E N 3.530 123.744 120.200 0.022 0.000 2.141 102 E HA 0.381 4.731 4.350 -0.000 0.000 0.259 102 E C -0.284 176.325 176.600 0.015 0.000 0.883 102 E CA -0.455 55.961 56.400 0.026 0.000 0.744 102 E CB 1.641 31.351 29.700 0.017 0.000 1.150 102 E HN 0.372 nan 8.360 nan 0.000 0.420 103 L N 1.319 122.565 121.223 0.039 0.000 2.375 103 L HA 0.611 4.951 4.340 -0.000 0.000 0.268 103 L C 0.396 177.267 176.870 0.001 0.000 1.058 103 L CA -0.649 54.179 54.840 -0.019 0.000 0.803 103 L CB 1.411 43.471 42.059 0.001 0.000 1.212 103 L HN 0.208 nan 8.230 nan 0.000 0.451 104 T N 1.071 115.545 114.554 -0.134 0.000 2.928 104 T HA 0.534 4.884 4.350 -0.000 0.000 0.296 104 T C -0.799 173.777 174.700 -0.206 0.000 1.000 104 T CA -0.373 61.706 62.100 -0.034 0.000 0.989 104 T CB 0.919 69.771 68.868 -0.026 0.000 1.005 104 T HN 0.094 nan 8.240 nan 0.000 0.442 105 F N 4.711 124.690 119.950 0.050 0.000 2.399 105 F HA 0.512 5.039 4.527 -0.000 0.000 0.334 105 F C -1.491 174.288 175.800 -0.036 0.000 1.097 105 F CA -2.132 55.896 58.000 0.046 0.000 1.076 105 F CB 0.929 39.992 39.000 0.104 0.000 1.162 105 F HN 0.305 nan 8.300 nan 0.000 0.495 106 P HA 0.248 nan 4.420 nan 0.000 0.274 106 P C -1.234 176.030 177.300 -0.060 0.000 1.256 106 P CA -0.486 62.586 63.100 -0.046 0.000 0.795 106 P CB 0.811 32.503 31.700 -0.014 0.000 1.038 107 A N 1.743 124.491 122.820 -0.119 0.000 2.409 107 A HA 0.292 4.611 4.320 -0.000 0.000 0.267 107 A C 0.690 178.272 177.584 -0.003 0.000 1.127 107 A CA -0.520 51.471 52.037 -0.078 0.000 0.795 107 A CB -0.843 18.103 19.000 -0.089 0.000 1.061 107 A HN 0.471 nan 8.150 nan 0.000 0.502 108 I N 2.426 123.008 120.570 0.020 0.000 2.598 108 I HA -0.025 4.145 4.170 -0.000 0.000 0.284 108 I C 0.435 176.563 176.117 0.019 0.000 1.140 108 I CA -0.050 61.271 61.300 0.034 0.000 1.420 108 I CB 0.507 38.525 38.000 0.030 0.000 1.387 108 I HN 0.652 nan 8.210 nan 0.000 0.553 109 D N 5.639 126.054 120.400 0.025 0.000 2.417 109 D HA 0.104 4.744 4.640 -0.000 0.000 0.250 109 D C 0.687 176.997 176.300 0.016 0.000 1.166 109 D CA 0.129 54.139 54.000 0.015 0.000 0.881 109 D CB 1.554 42.363 40.800 0.016 0.000 1.164 109 D HN 0.618 nan 8.370 nan 0.000 0.467 110 A N 3.541 126.366 122.820 0.009 0.000 2.021 110 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 110 A C 1.334 178.922 177.584 0.007 0.000 1.163 110 A CA 0.164 52.206 52.037 0.008 0.000 0.676 110 A CB 0.055 19.057 19.000 0.003 0.000 0.818 110 A HN 0.462 nan 8.150 nan 0.000 0.453 111 V N 2.044 121.961 119.914 0.005 0.000 1.959 111 V HA 0.090 4.210 4.120 -0.000 0.000 0.242 111 V C -0.111 175.985 176.094 0.005 0.000 1.613 111 V CA 0.477 62.779 62.300 0.003 0.000 1.566 111 V CB -1.724 30.099 31.823 0.001 0.000 1.547 111 V HN 0.582 nan 8.190 nan 0.000 0.503 112 Q N 0.826 120.629 119.800 0.006 0.000 2.501 112 Q HA 0.432 4.772 4.340 -0.000 0.000 0.288 112 Q C -0.845 175.156 176.000 0.002 0.000 1.051 112 Q CA -1.103 54.703 55.803 0.005 0.000 0.788 112 Q CB 2.190 30.934 28.738 0.010 0.000 1.469 112 Q HN 0.648 nan 8.270 nan 0.000 0.416 113 D N -0.390 120.009 120.400 -0.002 0.000 2.371 113 D HA -0.004 4.635 4.640 -0.000 0.000 0.242 113 D C 0.484 176.780 176.300 -0.007 0.000 1.218 113 D CA -0.360 53.637 54.000 -0.006 0.000 0.945 113 D CB 0.777 41.572 40.800 -0.010 0.000 1.137 113 D HN 0.324 nan 8.370 nan 0.000 0.464 114 E N -0.044 120.150 120.200 -0.011 0.000 2.153 114 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 114 E C 1.225 177.812 176.600 -0.022 0.000 0.988 114 E CA 0.886 57.278 56.400 -0.013 0.000 0.811 114 E CB -0.179 29.510 29.700 -0.019 0.000 0.746 114 E HN 0.524 nan 8.360 nan 0.000 0.466 115 D N 0.271 120.653 120.400 -0.029 0.000 2.144 115 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 115 D C 1.754 178.029 176.300 -0.042 0.000 0.978 115 D CA 1.209 55.182 54.000 -0.044 0.000 0.833 115 D CB 0.053 40.825 40.800 -0.047 0.000 0.961 115 D HN 0.131 nan 8.370 nan 0.000 0.470 116 A N 0.880 123.686 122.820 -0.024 0.000 1.970 116 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 116 A C 2.149 179.736 177.584 0.006 0.000 1.170 116 A CA 0.511 52.539 52.037 -0.014 0.000 0.645 116 A CB -0.221 18.775 19.000 -0.006 0.000 0.816 116 A HN 0.000 nan 8.150 nan 0.000 0.447 117 R N -0.816 119.691 120.500 0.012 0.000 2.105 117 R HA -0.140 4.200 4.340 -0.000 0.000 0.239 117 R C 1.929 178.265 176.300 0.060 0.000 1.135 117 R CA 1.589 57.710 56.100 0.036 0.000 0.967 117 R CB -0.506 29.813 30.300 0.032 0.000 0.861 117 R HN 0.506 nan 8.270 nan 0.000 0.442 118 L N 0.718 121.958 121.223 0.028 0.000 2.217 118 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 118 L C 2.012 178.920 176.870 0.063 0.000 1.107 118 L CA 1.477 56.336 54.840 0.032 0.000 0.783 118 L CB -0.115 41.919 42.059 -0.041 0.000 0.919 118 L HN -0.090 nan 8.230 nan 0.000 0.442 119 R N -0.234 120.279 120.500 0.021 0.000 2.148 119 R HA 0.109 4.449 4.340 -0.000 0.000 0.223 119 R C 1.029 177.403 176.300 0.123 0.000 1.088 119 R CA 0.338 56.460 56.100 0.037 0.000 0.985 119 R CB -1.031 29.261 30.300 -0.013 0.000 0.880 119 R HN 0.302 nan 8.270 nan 0.000 0.451 120 S N 0.966 116.736 115.700 0.116 0.000 2.542 120 S HA -0.071 4.399 4.470 -0.000 0.000 0.287 120 S C 0.166 174.876 174.600 0.182 0.000 1.315 120 S CA -0.383 57.898 58.200 0.134 0.000 1.037 120 S CB 0.168 63.441 63.200 0.121 0.000 0.822 120 S HN 0.164 nan 8.310 nan 0.000 0.513 121 L N 2.703 124.032 121.223 0.177 0.000 2.453 121 L HA 0.458 4.798 4.340 -0.000 0.000 0.272 121 L C 0.312 177.339 176.870 0.262 0.000 1.182 121 L CA 0.835 55.810 54.840 0.226 0.000 0.858 121 L CB 0.273 42.465 42.059 0.222 0.000 1.120 121 L HN 0.861 nan 8.230 nan 0.000 0.474 122 S N 2.325 118.179 115.700 0.256 0.000 2.727 122 S HA 0.357 4.827 4.470 -0.000 0.000 0.278 122 S C 0.778 175.181 174.600 -0.328 0.000 1.186 122 S CA -0.275 58.027 58.200 0.169 0.000 0.836 122 S CB 0.456 63.932 63.200 0.460 0.000 1.186 122 S HN 1.022 nan 8.310 nan 0.000 0.499 123 V N -1.009 118.624 119.914 -0.468 0.000 2.469 123 V HA -0.008 4.112 4.120 -0.000 0.000 0.251 123 V C 1.962 177.808 176.094 -0.414 0.000 1.064 123 V CA 1.809 63.575 62.300 -0.890 0.000 1.066 123 V CB -1.717 29.858 31.823 -0.412 0.000 0.667 123 V HN 0.733 nan 8.190 nan 0.000 0.461 124 F N 1.277 121.177 119.950 -0.082 0.000 2.202 124 F HA -0.133 4.394 4.527 -0.000 0.000 0.301 124 F C 2.425 178.144 175.800 -0.135 0.000 1.082 124 F CA 2.032 59.970 58.000 -0.102 0.000 1.313 124 F CB -0.512 38.378 39.000 -0.184 0.000 1.024 124 F HN 0.195 nan 8.300 nan 0.000 0.495 125 D N 0.137 120.568 120.400 0.051 0.000 2.265 125 D HA -0.160 4.479 4.640 -0.000 0.000 0.208 125 D C 2.259 178.658 176.300 0.166 0.000 0.977 125 D CA 1.108 55.176 54.000 0.114 0.000 0.871 125 D CB -0.166 40.768 40.800 0.224 0.000 0.925 125 D HN 0.326 nan 8.370 nan 0.000 0.485 126 A N 0.803 123.710 122.820 0.145 0.000 1.873 126 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 126 A C 2.386 180.064 177.584 0.156 0.000 1.186 126 A CA 0.822 53.014 52.037 0.259 0.000 0.616 126 A CB -0.666 18.526 19.000 0.321 0.000 0.823 126 A HN 0.182 nan 8.150 nan 0.000 0.442 127 L N -1.116 120.154 121.223 0.078 0.000 2.027 127 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 127 L C 2.764 179.685 176.870 0.085 0.000 1.074 127 L CA 1.723 56.583 54.840 0.033 0.000 0.745 127 L CB -0.545 41.438 42.059 -0.126 0.000 0.898 127 L HN 0.460 nan 8.230 nan 0.000 0.433 128 R N -0.036 120.492 120.500 0.047 0.000 2.091 128 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 128 R C 2.182 178.530 176.300 0.080 0.000 1.136 128 R CA 2.112 58.235 56.100 0.038 0.000 0.959 128 R CB -0.300 29.993 30.300 -0.011 0.000 0.856 128 R HN 0.251 nan 8.270 nan 0.000 0.437 129 T N 1.155 115.769 114.554 0.100 0.000 2.777 129 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 129 T C 1.808 176.564 174.700 0.094 0.000 1.040 129 T CA 1.390 63.553 62.100 0.105 0.000 1.141 129 T CB -0.103 68.842 68.868 0.128 0.000 0.868 129 T HN 0.215 nan 8.240 nan 0.000 0.444 130 I N 1.117 121.740 120.570 0.090 0.000 2.264 130 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 130 I C 2.156 178.314 176.117 0.068 0.000 1.111 130 I CA 1.286 62.621 61.300 0.059 0.000 1.382 130 I CB -0.535 37.484 38.000 0.032 0.000 1.060 130 I HN 0.226 nan 8.210 nan 0.000 0.418 131 L N 0.253 121.533 121.223 0.095 0.000 2.191 131 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 131 L C 2.141 179.088 176.870 0.127 0.000 1.103 131 L CA 1.768 56.679 54.840 0.118 0.000 0.769 131 L CB -0.813 41.331 42.059 0.140 0.000 0.908 131 L HN 0.445 nan 8.230 nan 0.000 0.438 132 T N -4.574 110.046 114.554 0.110 0.000 3.174 132 T HA 0.256 4.606 4.350 -0.000 0.000 0.269 132 T C 1.411 176.172 174.700 0.101 0.000 1.017 132 T CA -0.302 61.860 62.100 0.103 0.000 0.899 132 T CB -0.008 68.912 68.868 0.087 0.000 1.077 132 T HN 0.109 nan 8.240 nan 0.000 0.552 133 L N 0.769 122.058 121.223 0.110 0.000 2.191 133 L HA 0.127 4.466 4.340 -0.000 0.000 0.212 133 L C 0.533 177.472 176.870 0.116 0.000 1.103 133 L CA 0.620 55.521 54.840 0.102 0.000 0.769 133 L CB -0.224 41.891 42.059 0.093 0.000 0.908 133 L HN 0.263 nan 8.230 nan 0.000 0.438 134 V N -1.589 118.414 119.914 0.149 0.000 2.914 134 V HA 0.305 4.425 4.120 -0.000 0.000 0.314 134 V C -0.834 175.315 176.094 0.093 0.000 1.084 134 V CA -1.083 61.294 62.300 0.129 0.000 0.963 134 V CB 2.439 34.372 31.823 0.183 0.000 1.025 134 V HN -0.089 nan 8.190 nan 0.000 0.432 135 D N 2.103 122.536 120.400 0.055 0.000 2.256 135 D HA 0.592 5.232 4.640 -0.000 0.000 0.250 135 D C -0.118 176.190 176.300 0.013 0.000 1.093 135 D CA 0.198 54.221 54.000 0.039 0.000 0.882 135 D CB 1.879 42.697 40.800 0.029 0.000 1.185 135 D HN 0.739 nan 8.370 nan 0.000 0.437 136 S N 0.802 116.511 115.700 0.015 0.000 2.667 136 S HA 0.712 5.182 4.470 -0.000 0.000 0.292 136 S C -2.873 171.728 174.600 0.002 0.000 1.126 136 S CA -1.539 56.655 58.200 -0.010 0.000 0.881 136 S CB 1.360 64.549 63.200 -0.017 0.000 1.132 136 S HN 0.034 nan 8.310 nan 0.000 0.492 137 P HA 0.322 nan 4.420 nan 0.000 0.266 137 P C 0.511 177.820 177.300 0.015 0.000 1.215 137 P CA -0.215 62.886 63.100 0.001 0.000 0.763 137 P CB 0.419 32.115 31.700 -0.007 0.000 0.806 138 A N 3.656 126.488 122.820 0.020 0.000 2.125 138 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 138 A C 1.291 178.891 177.584 0.026 0.000 1.156 138 A CA 1.506 53.560 52.037 0.028 0.000 0.671 138 A CB -0.617 18.400 19.000 0.027 0.000 0.794 138 A HN 0.608 nan 8.150 nan 0.000 0.459 139 D N -0.797 119.614 120.400 0.019 0.000 2.388 139 D HA 0.072 4.712 4.640 -0.000 0.000 0.221 139 D C -0.366 175.945 176.300 0.019 0.000 1.133 139 D CA 0.008 54.019 54.000 0.018 0.000 0.831 139 D CB 0.069 40.877 40.800 0.013 0.000 0.962 139 D HN 0.200 nan 8.370 nan 0.000 0.502 140 E N 1.147 121.360 120.200 0.022 0.000 2.489 140 E HA 0.156 4.506 4.350 -0.000 0.000 0.232 140 E C 0.862 177.486 176.600 0.039 0.000 0.990 140 E CA -0.324 56.089 56.400 0.021 0.000 0.768 140 E CB 1.606 31.310 29.700 0.006 0.000 1.270 140 E HN 0.182 nan 8.360 nan 0.000 0.423 141 R N 1.575 122.106 120.500 0.052 0.000 2.119 141 R HA -0.215 4.125 4.340 -0.000 0.000 0.246 141 R C 0.630 176.990 176.300 0.100 0.000 1.146 141 R CA 1.971 58.121 56.100 0.082 0.000 0.962 141 R CB 0.359 30.715 30.300 0.093 0.000 0.863 141 R HN 0.125 nan 8.270 nan 0.000 0.442 142 E N -0.642 119.601 120.200 0.072 0.000 2.474 142 E HA 0.159 4.509 4.350 -0.000 0.000 0.195 142 E C 1.304 177.932 176.600 0.046 0.000 1.039 142 E CA 0.484 56.922 56.400 0.062 0.000 0.881 142 E CB 0.515 30.227 29.700 0.020 0.000 0.970 142 E HN 0.431 nan 8.360 nan 0.000 0.486 143 A N 0.478 123.317 122.820 0.032 0.000 1.903 143 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 143 A C 1.126 178.723 177.584 0.022 0.000 1.191 143 A CA 1.191 53.227 52.037 -0.002 0.000 0.638 143 A CB -0.097 18.891 19.000 -0.020 0.000 0.823 143 A HN 0.120 nan 8.150 nan 0.000 0.451 144 V N 0.040 120.003 119.914 0.081 0.000 2.325 144 V HA 0.454 4.574 4.120 -0.000 0.000 0.280 144 V C -0.383 175.782 176.094 0.118 0.000 1.016 144 V CA 0.001 62.404 62.300 0.173 0.000 0.818 144 V CB 0.982 32.926 31.823 0.202 0.000 1.019 144 V HN 0.569 nan 8.190 nan 0.000 0.434 145 M N 5.897 125.560 119.600 0.105 0.000 2.243 145 M HA 0.608 5.087 4.480 -0.000 0.000 0.324 145 M C -1.785 174.474 176.300 -0.070 0.000 1.031 145 M CA -0.619 54.697 55.300 0.027 0.000 0.949 145 M CB 1.696 34.328 32.600 0.053 0.000 1.615 145 M HN 0.495 nan 8.290 nan 0.000 0.430 146 L N 4.950 125.987 121.223 -0.310 0.000 2.277 146 L HA 0.592 4.932 4.340 -0.000 0.000 0.284 146 L C 0.206 176.948 176.870 -0.213 0.000 1.028 146 L CA -0.572 54.011 54.840 -0.429 0.000 0.835 146 L CB 1.398 42.820 42.059 -1.062 0.000 1.215 146 L HN 0.870 nan 8.230 nan 0.000 0.425 147 G N 1.626 110.455 108.800 0.049 0.000 2.372 147 G HA2 0.731 4.691 3.960 -0.000 0.000 0.323 147 G HA3 0.731 4.691 3.960 -0.000 0.000 0.323 147 G C -0.167 174.646 174.900 -0.144 0.000 1.152 147 G CA 0.091 45.249 45.100 0.096 0.000 0.906 147 G HN 0.793 nan 8.290 nan 0.000 0.460 148 G N 0.096 108.693 108.800 -0.338 0.000 2.404 148 G HA2 0.478 4.438 3.960 -0.000 0.000 0.253 148 G HA3 0.478 4.438 3.960 -0.000 0.000 0.253 148 G C -1.910 172.342 174.900 -1.081 0.000 1.253 148 G CA -0.365 44.135 45.100 -1.000 0.000 0.917 148 G HN 1.293 nan 8.290 nan 0.000 0.480 149 L N 0.034 120.452 121.223 -1.341 0.000 2.346 149 L HA 0.872 5.212 4.340 -0.000 0.000 0.276 149 L C -1.505 174.989 176.870 -0.627 0.000 1.006 149 L CA -0.866 53.519 54.840 -0.759 0.000 0.817 149 L CB 1.462 43.307 42.059 -0.357 0.000 1.272 149 L HN 0.408 nan 8.230 nan 0.000 0.421 150 F N 4.832 124.712 119.950 -0.117 0.000 2.332 150 F HA 0.660 5.187 4.527 -0.000 0.000 0.368 150 F C 0.912 176.749 175.800 0.062 0.000 1.110 150 F CA -0.539 57.497 58.000 0.060 0.000 1.087 150 F CB 1.326 40.266 39.000 -0.101 0.000 1.235 150 F HN 0.720 nan 8.300 nan 0.000 0.470 151 A N 3.065 126.019 122.820 0.223 0.000 2.386 151 A HA 0.008 4.328 4.320 -0.000 0.000 0.246 151 A C 0.809 178.508 177.584 0.190 0.000 1.089 151 A CA -0.148 51.966 52.037 0.128 0.000 0.790 151 A CB 0.132 19.164 19.000 0.054 0.000 1.042 151 A HN 0.894 nan 8.150 nan 0.000 0.497 152 Y N 0.132 120.443 120.300 0.017 0.000 2.181 152 Y HA -0.186 4.364 4.550 -0.000 0.000 0.288 152 Y C 1.560 177.476 175.900 0.026 0.000 1.146 152 Y CA 2.397 60.501 58.100 0.007 0.000 1.164 152 Y CB 0.125 38.556 38.460 -0.047 0.000 0.982 152 Y HN 0.730 nan 8.280 nan 0.000 0.515 153 D N 0.535 121.077 120.400 0.236 0.000 2.384 153 D HA -0.149 4.491 4.640 -0.000 0.000 0.222 153 D C 1.973 178.310 176.300 0.060 0.000 0.976 153 D CA 0.655 54.739 54.000 0.141 0.000 0.915 153 D CB -0.178 40.685 40.800 0.104 0.000 0.896 153 D HN 0.389 nan 8.370 nan 0.000 0.523 154 L N 0.850 122.123 121.223 0.084 0.000 2.261 154 L HA -0.110 4.230 4.340 -0.000 0.000 0.216 154 L C 2.073 179.048 176.870 0.174 0.000 1.114 154 L CA 1.016 55.936 54.840 0.133 0.000 0.777 154 L CB -0.379 41.814 42.059 0.224 0.000 0.910 154 L HN -0.123 nan 8.230 nan 0.000 0.440 155 V N -0.383 119.557 119.914 0.045 0.000 2.913 155 V HA -0.147 3.973 4.120 -0.000 0.000 0.260 155 V C 2.484 178.642 176.094 0.107 0.000 1.098 155 V CA 1.280 63.611 62.300 0.051 0.000 1.121 155 V CB -0.432 31.270 31.823 -0.202 0.000 0.714 155 V HN 0.580 nan 8.190 nan 0.000 0.487 156 A N -0.068 122.781 122.820 0.048 0.000 2.070 156 A HA 0.014 4.333 4.320 -0.000 0.000 0.220 156 A C 2.203 179.759 177.584 -0.047 0.000 1.159 156 A CA 1.455 53.495 52.037 0.004 0.000 0.656 156 A CB -0.857 18.136 19.000 -0.012 0.000 0.800 156 A HN 0.637 nan 8.150 nan 0.000 0.453 157 G N -2.297 106.473 108.800 -0.051 0.000 2.650 157 G HA2 0.145 4.105 3.960 -0.000 0.000 0.214 157 G HA3 0.145 4.105 3.960 -0.000 0.000 0.214 157 G C 0.852 175.316 174.900 -0.727 0.000 1.136 157 G CA 0.729 45.583 45.100 -0.410 0.000 0.789 157 G HN 0.479 nan 8.290 nan 0.000 0.536 158 F N -0.318 119.623 119.950 -0.015 0.000 2.767 158 F HA 0.422 4.949 4.527 -0.000 0.000 0.323 158 F C 0.382 176.167 175.800 -0.026 0.000 1.091 158 F CA -0.331 57.666 58.000 -0.004 0.000 1.192 158 F CB 0.881 39.885 39.000 0.007 0.000 1.056 158 F HN -0.134 nan 8.300 nan 0.000 0.571 159 E N 0.504 120.759 120.200 0.092 0.000 2.383 159 E HA 0.292 4.641 4.350 -0.000 0.000 0.275 159 E C -1.190 175.412 176.600 0.004 0.000 0.918 159 E CA -0.683 55.737 56.400 0.034 0.000 0.764 159 E CB 1.625 31.335 29.700 0.017 0.000 1.252 159 E HN -0.088 nan 8.360 nan 0.000 0.449 160 N N 1.853 120.550 118.700 -0.005 0.000 2.414 160 N HA 0.329 5.068 4.740 -0.000 0.000 0.256 160 N C -0.559 174.947 175.510 -0.007 0.000 1.029 160 N CA -0.392 52.651 53.050 -0.011 0.000 0.948 160 N CB 0.837 39.316 38.487 -0.012 0.000 1.102 160 N HN 0.181 nan 8.380 nan 0.000 0.496 161 L N 3.038 124.258 121.223 -0.004 0.000 2.319 161 L HA 0.604 4.944 4.340 -0.000 0.000 0.267 161 L C -1.699 175.171 176.870 -0.000 0.000 1.011 161 L CA -1.867 52.975 54.840 0.004 0.000 0.818 161 L CB 0.855 42.926 42.059 0.020 0.000 1.316 161 L HN 0.405 nan 8.230 nan 0.000 0.432 162 P HA 0.290 nan 4.420 nan 0.000 0.273 162 P C -1.161 176.137 177.300 -0.003 0.000 1.250 162 P CA -0.565 62.532 63.100 -0.004 0.000 0.793 162 P CB 0.526 32.222 31.700 -0.006 0.000 1.011 163 A N 1.016 123.832 122.820 -0.007 0.000 2.371 163 A HA 0.543 4.863 4.320 -0.000 0.000 0.257 163 A C 0.027 177.606 177.584 -0.008 0.000 1.089 163 A CA -0.320 51.713 52.037 -0.008 0.000 0.794 163 A CB -0.339 18.656 19.000 -0.009 0.000 1.029 163 A HN 0.495 nan 8.150 nan 0.000 0.488 164 L N 1.424 122.641 121.223 -0.009 0.000 2.350 164 L HA 0.613 4.952 4.340 -0.000 0.000 0.260 164 L C 0.373 177.232 176.870 -0.017 0.000 1.015 164 L CA -1.057 53.775 54.840 -0.013 0.000 0.821 164 L CB 2.024 44.078 42.059 -0.009 0.000 1.370 164 L HN 0.975 nan 8.230 nan 0.000 0.416 165 R N 1.021 121.507 120.500 -0.022 0.000 2.553 165 R HA 0.549 4.889 4.340 -0.000 0.000 0.263 165 R C -0.861 175.420 176.300 -0.031 0.000 1.066 165 R CA -0.842 55.243 56.100 -0.024 0.000 1.135 165 R CB 0.829 31.115 30.300 -0.024 0.000 1.148 165 R HN 0.695 nan 8.270 nan 0.000 0.558 166 Q N 0.523 120.305 119.800 -0.030 0.000 2.304 166 Q HA 0.251 4.591 4.340 -0.000 0.000 0.270 166 Q C -1.321 174.657 176.000 -0.037 0.000 1.035 166 Q CA -0.847 54.932 55.803 -0.039 0.000 0.781 166 Q CB 2.111 30.829 28.738 -0.033 0.000 1.261 166 Q HN 0.678 nan 8.270 nan 0.000 0.444 167 D N 3.006 123.374 120.400 -0.053 0.000 2.462 167 D HA 0.145 4.785 4.640 -0.000 0.000 0.221 167 D C -0.488 175.791 176.300 -0.034 0.000 1.173 167 D CA 0.243 54.218 54.000 -0.042 0.000 0.831 167 D CB 0.839 41.605 40.800 -0.055 0.000 1.001 167 D HN 0.574 nan 8.370 nan 0.000 0.499 168 Q N -0.473 119.303 119.800 -0.040 0.000 2.456 168 Q HA 0.454 4.794 4.340 -0.000 0.000 0.284 168 Q C 0.461 176.486 176.000 0.041 0.000 1.061 168 Q CA -0.742 55.063 55.803 0.003 0.000 0.799 168 Q CB 2.364 30.984 28.738 -0.196 0.000 1.445 168 Q HN -0.181 nan 8.270 nan 0.000 0.411 169 R N -0.336 120.252 120.500 0.147 0.000 2.275 169 R HA 0.107 4.447 4.340 -0.000 0.000 0.199 169 R C 0.578 176.969 176.300 0.151 0.000 0.989 169 R CA 0.024 56.215 56.100 0.153 0.000 1.016 169 R CB 0.080 30.506 30.300 0.211 0.000 0.918 169 R HN 0.494 nan 8.270 nan 0.000 0.473 170 C N 3.867 123.213 119.300 0.077 0.000 2.517 170 C HA 0.067 4.526 4.460 -0.000 0.000 0.403 170 C C -1.251 173.716 174.990 -0.038 0.000 1.467 170 C CA -1.560 57.407 59.018 -0.086 0.000 1.542 170 C CB -0.010 27.468 27.740 -0.436 0.000 2.482 170 C HN 0.328 nan 8.230 nan 0.000 0.610 171 P HA 0.296 nan 4.420 nan 0.000 0.312 171 P C 0.201 177.491 177.300 -0.018 0.000 1.308 171 P CA 0.066 63.167 63.100 0.003 0.000 0.743 171 P CB 0.773 32.489 31.700 0.027 0.000 1.364 172 D N -1.578 118.790 120.400 -0.054 0.000 2.194 172 D HA 0.077 4.717 4.640 -0.000 0.000 0.204 172 D C 0.490 176.875 176.300 0.142 0.000 0.964 172 D CA 1.473 55.467 54.000 -0.010 0.000 0.846 172 D CB -0.220 40.526 40.800 -0.090 0.000 0.962 172 D HN 0.370 nan 8.370 nan 0.000 0.490 173 F N -1.567 118.401 119.950 0.030 0.000 2.668 173 F HA 0.511 5.038 4.527 -0.000 0.000 0.309 173 F C -1.489 174.304 175.800 -0.011 0.000 1.117 173 F CA -2.219 55.799 58.000 0.030 0.000 0.951 173 F CB 1.068 40.183 39.000 0.192 0.000 1.323 173 F HN -0.209 nan 8.300 nan 0.000 0.451 174 C N 3.749 123.145 119.300 0.160 0.000 2.789 174 C HA 0.793 5.252 4.460 -0.000 0.000 0.367 174 C C -1.941 172.725 174.990 -0.540 0.000 1.062 174 C CA -0.571 58.457 59.018 0.016 0.000 1.297 174 C CB -0.901 26.883 27.740 0.073 0.000 1.794 174 C HN 0.719 nan 8.230 nan 0.000 0.474 175 F N 3.720 123.610 119.950 -0.099 0.000 2.579 175 F HA 0.681 5.208 4.527 -0.000 0.000 0.324 175 F C -0.222 175.530 175.800 -0.079 0.000 1.058 175 F CA -0.589 57.231 58.000 -0.301 0.000 0.944 175 F CB 1.449 40.279 39.000 -0.283 0.000 1.245 175 F HN 0.488 nan 8.300 nan 0.000 0.477 176 Y N 2.269 122.628 120.300 0.099 0.000 2.376 176 Y HA 0.459 5.009 4.550 -0.000 0.000 0.340 176 Y C -0.510 175.401 175.900 0.019 0.000 0.965 176 Y CA -1.216 56.908 58.100 0.040 0.000 1.078 176 Y CB 1.844 40.313 38.460 0.014 0.000 1.193 176 Y HN 0.258 nan 8.280 nan 0.000 0.452 177 L N 3.859 125.166 121.223 0.140 0.000 2.260 177 L HA 0.505 4.845 4.340 -0.000 0.000 0.289 177 L C 0.101 177.019 176.870 0.079 0.000 1.057 177 L CA -0.494 54.364 54.840 0.029 0.000 0.811 177 L CB 0.602 42.590 42.059 -0.117 0.000 1.184 177 L HN 0.859 nan 8.230 nan 0.000 0.429 178 A N 3.997 126.885 122.820 0.113 0.000 2.520 178 A HA 0.052 4.372 4.320 -0.000 0.000 0.245 178 A C 0.860 178.552 177.584 0.179 0.000 1.072 178 A CA 0.052 52.165 52.037 0.127 0.000 0.761 178 A CB 0.440 19.500 19.000 0.100 0.000 1.004 178 A HN 0.939 nan 8.150 nan 0.000 0.499 179 E N 1.557 121.837 120.200 0.133 0.000 2.152 179 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 179 E C -0.063 176.589 176.600 0.086 0.000 0.934 179 E CA 0.847 57.335 56.400 0.148 0.000 0.869 179 E CB 0.513 30.273 29.700 0.100 0.000 0.842 179 E HN 0.618 nan 8.360 nan 0.000 0.472 180 T N 1.155 115.741 114.554 0.055 0.000 2.841 180 T HA 0.542 4.892 4.350 -0.000 0.000 0.283 180 T C -1.372 173.346 174.700 0.030 0.000 1.000 180 T CA -0.561 61.557 62.100 0.030 0.000 0.977 180 T CB 1.732 70.608 68.868 0.013 0.000 0.979 180 T HN 0.129 nan 8.240 nan 0.000 0.446 181 L N 3.772 125.007 121.223 0.020 0.000 2.455 181 L HA 0.835 5.175 4.340 -0.000 0.000 0.264 181 L C -1.990 174.884 176.870 0.007 0.000 0.968 181 L CA -0.891 53.959 54.840 0.017 0.000 0.827 181 L CB 1.930 43.996 42.059 0.011 0.000 1.317 181 L HN 0.574 nan 8.230 nan 0.000 0.407 182 L N 5.333 126.562 121.223 0.010 0.000 2.341 182 L HA 0.833 5.173 4.340 -0.000 0.000 0.278 182 L C -1.435 175.433 176.870 -0.004 0.000 1.005 182 L CA -0.357 54.484 54.840 0.003 0.000 0.818 182 L CB 2.052 44.115 42.059 0.007 0.000 1.259 182 L HN 0.409 nan 8.230 nan 0.000 0.418 183 V N 6.322 126.228 119.914 -0.013 0.000 2.444 183 V HA 0.479 4.599 4.120 -0.000 0.000 0.294 183 V C -0.338 175.734 176.094 -0.036 0.000 1.022 183 V CA -0.513 61.772 62.300 -0.026 0.000 0.850 183 V CB 1.545 33.353 31.823 -0.025 0.000 0.992 183 V HN 0.605 nan 8.190 nan 0.000 0.426 184 L N 4.151 125.326 121.223 -0.080 0.000 2.313 184 L HA 0.585 4.925 4.340 -0.000 0.000 0.283 184 L C -0.243 176.469 176.870 -0.263 0.000 1.013 184 L CA -0.295 54.450 54.840 -0.157 0.000 0.816 184 L CB 1.777 43.676 42.059 -0.268 0.000 1.236 184 L HN 0.587 nan 8.230 nan 0.000 0.419 185 D N 2.257 122.581 120.400 -0.126 0.000 2.454 185 D HA 0.127 4.767 4.640 -0.000 0.000 0.225 185 D C 0.722 176.986 176.300 -0.059 0.000 1.081 185 D CA -0.374 53.562 54.000 -0.108 0.000 0.864 185 D CB 0.794 41.576 40.800 -0.031 0.000 1.040 185 D HN 0.541 nan 8.370 nan 0.000 0.517 186 H N 2.003 121.182 119.070 0.182 0.000 2.462 186 H HA -0.053 4.503 4.556 -0.000 0.000 0.292 186 H C 1.456 176.799 175.328 0.024 0.000 1.049 186 H CA 0.691 56.845 56.048 0.177 0.000 1.334 186 H CB 0.561 30.424 29.762 0.169 0.000 1.404 186 H HN 0.492 nan 8.280 nan 0.000 0.544 187 Q N 0.909 120.769 119.800 0.099 0.000 2.079 187 Q HA -0.030 4.310 4.340 -0.000 0.000 0.200 187 Q C 2.146 178.124 176.000 -0.036 0.000 0.974 187 Q CA 0.942 56.764 55.803 0.031 0.000 0.840 187 Q CB -0.036 28.718 28.738 0.027 0.000 0.898 187 Q HN 0.486 nan 8.270 nan 0.000 0.430 188 R N -0.847 119.616 120.500 -0.061 0.000 2.280 188 R HA 0.144 4.483 4.340 -0.000 0.000 0.195 188 R C 0.810 176.978 176.300 -0.220 0.000 0.935 188 R CA 0.542 56.581 56.100 -0.102 0.000 1.033 188 R CB 0.324 30.587 30.300 -0.062 0.000 0.964 188 R HN 0.313 nan 8.270 nan 0.000 0.489 189 G N 1.778 110.331 108.800 -0.412 0.000 2.295 189 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.287 189 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.287 189 G C -0.189 174.419 174.900 -0.487 0.000 1.055 189 G CA 0.729 45.222 45.100 -1.012 0.000 0.922 189 G HN 0.344 nan 8.290 nan 0.000 0.503 190 S N -1.097 114.544 115.700 -0.097 0.000 2.638 190 S HA 0.983 5.453 4.470 -0.000 0.000 0.302 190 S C 0.012 174.720 174.600 0.179 0.000 1.096 190 S CA 0.572 58.811 58.200 0.065 0.000 0.953 190 S CB 1.939 65.141 63.200 0.004 0.000 1.107 190 S HN 1.964 nan 8.310 nan 0.000 0.503 191 A N 2.416 125.305 122.820 0.114 0.000 2.549 191 A HA 0.825 5.145 4.320 -0.000 0.000 0.297 191 A C -1.165 176.439 177.584 0.033 0.000 1.061 191 A CA -0.749 51.331 52.037 0.071 0.000 0.690 191 A CB 1.425 20.465 19.000 0.067 0.000 1.287 191 A HN 0.770 nan 8.150 nan 0.000 0.402 192 R N 0.325 120.833 120.500 0.014 0.000 2.621 192 R HA 0.622 4.962 4.340 -0.000 0.000 0.292 192 R C -1.920 174.381 176.300 0.002 0.000 0.969 192 R CA -0.784 55.320 56.100 0.007 0.000 0.887 192 R CB 2.171 32.473 30.300 0.002 0.000 1.180 192 R HN 0.566 nan 8.270 nan 0.000 0.450 193 L N 3.678 124.902 121.223 0.002 0.000 2.404 193 L HA 0.367 4.707 4.340 -0.000 0.000 0.272 193 L C -1.007 175.862 176.870 -0.002 0.000 0.980 193 L CA -0.048 54.792 54.840 -0.000 0.000 0.836 193 L CB 1.544 43.603 42.059 0.000 0.000 1.238 193 L HN 0.702 nan 8.230 nan 0.000 0.408 194 Q N 4.349 124.147 119.800 -0.003 0.000 2.553 194 Q HA 0.986 5.326 4.340 -0.000 0.000 0.293 194 Q C -1.760 174.237 176.000 -0.005 0.000 1.038 194 Q CA -1.181 54.617 55.803 -0.008 0.000 0.777 194 Q CB 2.285 31.017 28.738 -0.011 0.000 1.487 194 Q HN 0.764 nan 8.270 nan 0.000 0.426 195 A N 0.695 123.506 122.820 -0.015 0.000 2.449 195 A HA 0.668 4.988 4.320 -0.000 0.000 0.302 195 A C -1.156 176.403 177.584 -0.042 0.000 1.048 195 A CA -0.730 51.301 52.037 -0.010 0.000 0.708 195 A CB 2.238 21.234 19.000 -0.007 0.000 1.274 195 A HN 0.563 nan 8.150 nan 0.000 0.410 196 S N 1.239 116.914 115.700 -0.040 0.000 2.461 196 S HA 0.417 4.887 4.470 -0.000 0.000 0.322 196 S C -0.277 174.182 174.600 -0.236 0.000 1.063 196 S CA -0.428 57.662 58.200 -0.184 0.000 1.120 196 S CB 0.775 63.865 63.200 -0.184 0.000 0.968 196 S HN 0.613 nan 8.310 nan 0.000 0.467 197 V N 5.154 124.918 119.914 -0.249 0.000 2.353 197 V HA 0.223 4.342 4.120 -0.000 0.000 0.264 197 V C 0.331 176.277 176.094 -0.247 0.000 1.049 197 V CA -0.153 62.060 62.300 -0.144 0.000 0.896 197 V CB -0.497 31.277 31.823 -0.081 0.000 1.025 197 V HN 0.836 nan 8.190 nan 0.000 0.475 198 F N 1.656 121.610 119.950 0.006 0.000 2.416 198 F HA 0.034 4.561 4.527 -0.000 0.000 0.296 198 F C 1.889 177.695 175.800 0.009 0.000 1.099 198 F CA 0.743 58.750 58.000 0.010 0.000 1.427 198 F CB 0.099 39.108 39.000 0.015 0.000 1.079 198 F HN 0.520 nan 8.300 nan 0.000 0.536 199 S N 0.360 116.152 115.700 0.154 0.000 2.580 199 S HA 0.082 4.552 4.470 -0.000 0.000 0.274 199 S C 0.947 175.570 174.600 0.039 0.000 1.329 199 S CA -0.433 57.820 58.200 0.088 0.000 1.036 199 S CB 0.924 64.167 63.200 0.071 0.000 0.919 199 S HN 0.369 nan 8.310 nan 0.000 0.515 200 E N 1.111 121.331 120.200 0.032 0.000 2.474 200 E HA 0.053 4.403 4.350 -0.000 0.000 0.194 200 E C 0.020 176.625 176.600 0.007 0.000 1.041 200 E CA -0.019 56.389 56.400 0.014 0.000 0.874 200 E CB 0.211 29.922 29.700 0.017 0.000 0.914 200 E HN 0.650 nan 8.360 nan 0.000 0.498 201 Q N 0.370 120.177 119.800 0.012 0.000 2.289 201 Q HA 0.115 4.455 4.340 -0.000 0.000 0.273 201 Q C 0.796 176.794 176.000 -0.005 0.000 1.029 201 Q CA 0.132 55.938 55.803 0.005 0.000 0.896 201 Q CB 1.189 29.933 28.738 0.010 0.000 1.182 201 Q HN 0.134 nan 8.270 nan 0.000 0.385 202 A N 3.008 125.822 122.820 -0.010 0.000 2.070 202 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 202 A C 2.131 179.698 177.584 -0.029 0.000 1.159 202 A CA 1.652 53.676 52.037 -0.021 0.000 0.656 202 A CB -0.301 18.687 19.000 -0.020 0.000 0.800 202 A HN 0.812 nan 8.150 nan 0.000 0.453 203 S N -0.275 115.414 115.700 -0.019 0.000 2.383 203 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 203 S C 1.769 176.352 174.600 -0.028 0.000 1.026 203 S CA 1.409 59.596 58.200 -0.022 0.000 0.981 203 S CB -0.306 62.890 63.200 -0.006 0.000 0.818 203 S HN 0.474 nan 8.310 nan 0.000 0.472 204 E N 2.284 122.475 120.200 -0.015 0.000 2.072 204 E HA 0.090 4.440 4.350 -0.000 0.000 0.191 204 E C 2.145 178.727 176.600 -0.030 0.000 0.985 204 E CA 1.326 57.720 56.400 -0.009 0.000 0.801 204 E CB -0.892 28.815 29.700 0.012 0.000 0.750 204 E HN 0.595 nan 8.360 nan 0.000 0.452 205 A N 0.472 123.267 122.820 -0.041 0.000 1.908 205 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 205 A C 2.068 179.590 177.584 -0.103 0.000 1.181 205 A CA 1.672 53.673 52.037 -0.060 0.000 0.627 205 A CB -0.508 18.459 19.000 -0.056 0.000 0.818 205 A HN 0.199 nan 8.150 nan 0.000 0.445 206 Q N -0.903 118.814 119.800 -0.139 0.000 2.230 206 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 206 Q C 2.141 177.927 176.000 -0.357 0.000 0.963 206 Q CA 1.312 56.944 55.803 -0.286 0.000 0.866 206 Q CB -0.355 28.221 28.738 -0.270 0.000 0.931 206 Q HN 0.799 nan 8.270 nan 0.000 0.452 207 R N 0.318 120.732 120.500 -0.144 0.000 2.075 207 R HA -0.023 4.317 4.340 -0.000 0.000 0.232 207 R C 2.144 178.433 176.300 -0.017 0.000 1.126 207 R CA 0.724 56.801 56.100 -0.038 0.000 0.963 207 R CB -0.046 30.255 30.300 0.002 0.000 0.858 207 R HN 0.192 nan 8.270 nan 0.000 0.435 208 L N 0.370 121.570 121.223 -0.038 0.000 2.179 208 L HA -0.102 4.237 4.340 -0.000 0.000 0.208 208 L C 2.628 179.485 176.870 -0.021 0.000 1.096 208 L CA 0.884 55.715 54.840 -0.015 0.000 0.779 208 L CB -0.335 41.716 42.059 -0.014 0.000 0.922 208 L HN 0.243 nan 8.230 nan 0.000 0.443 209 Q N -0.297 119.460 119.800 -0.071 0.000 2.050 209 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 209 Q C 2.217 178.235 176.000 0.030 0.000 0.980 209 Q CA 1.808 57.578 55.803 -0.055 0.000 0.840 209 Q CB -0.124 28.541 28.738 -0.122 0.000 0.898 209 Q HN 0.415 nan 8.270 nan 0.000 0.424 210 H N -0.433 118.632 119.070 -0.009 0.000 2.352 210 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 210 H C 2.066 177.386 175.328 -0.013 0.000 1.097 210 H CA 1.773 57.815 56.048 -0.011 0.000 1.311 210 H CB -0.252 29.504 29.762 -0.010 0.000 1.377 210 H HN 0.181 nan 8.280 nan 0.000 0.504 211 R N 0.776 121.347 120.500 0.117 0.000 2.083 211 R HA -0.100 4.240 4.340 -0.000 0.000 0.237 211 R C 2.174 178.492 176.300 0.029 0.000 1.137 211 R CA 0.944 57.074 56.100 0.051 0.000 0.951 211 R CB -0.917 29.401 30.300 0.029 0.000 0.851 211 R HN 0.151 nan 8.270 nan 0.000 0.434 212 L N 0.994 122.234 121.223 0.028 0.000 2.079 212 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 212 L C 2.123 179.004 176.870 0.019 0.000 1.081 212 L CA 1.923 56.773 54.840 0.016 0.000 0.752 212 L CB -0.752 41.313 42.059 0.010 0.000 0.896 212 L HN 0.305 nan 8.230 nan 0.000 0.433 213 E N -1.323 118.899 120.200 0.038 0.000 2.106 213 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 213 E C 2.151 178.758 176.600 0.012 0.000 0.984 213 E CA 1.064 57.483 56.400 0.032 0.000 0.806 213 E CB -0.071 29.663 29.700 0.057 0.000 0.750 213 E HN 0.534 nan 8.360 nan 0.000 0.458 214 Q N 0.593 120.399 119.800 0.011 0.000 2.050 214 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 214 Q C 2.134 178.125 176.000 -0.015 0.000 0.980 214 Q CA 1.228 57.026 55.803 -0.008 0.000 0.840 214 Q CB -0.068 28.665 28.738 -0.009 0.000 0.898 214 Q HN 0.301 nan 8.270 nan 0.000 0.424 215 L N 0.608 121.823 121.223 -0.013 0.000 2.083 215 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 215 L C 2.822 179.682 176.870 -0.016 0.000 1.083 215 L CA 1.492 56.319 54.840 -0.021 0.000 0.752 215 L CB -0.566 41.481 42.059 -0.020 0.000 0.899 215 L HN 0.421 nan 8.230 nan 0.000 0.433 216 Q N 0.267 120.063 119.800 -0.007 0.000 2.096 216 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 216 Q C 2.237 178.234 176.000 -0.006 0.000 0.982 216 Q CA 1.999 57.800 55.803 -0.003 0.000 0.850 216 Q CB -0.053 28.688 28.738 0.004 0.000 0.901 216 Q HN 0.544 nan 8.270 nan 0.000 0.422 217 A N 0.598 123.412 122.820 -0.009 0.000 1.929 217 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 217 A C 1.747 179.321 177.584 -0.016 0.000 1.176 217 A CA 1.236 53.266 52.037 -0.011 0.000 0.628 217 A CB -0.360 18.631 19.000 -0.014 0.000 0.816 217 A HN 0.516 nan 8.150 nan 0.000 0.444 218 E N 0.308 120.495 120.200 -0.023 0.000 2.051 218 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 218 E C 1.863 178.449 176.600 -0.024 0.000 0.991 218 E CA 1.151 57.534 56.400 -0.029 0.000 0.799 218 E CB -0.453 29.222 29.700 -0.041 0.000 0.748 218 E HN 0.595 nan 8.360 nan 0.000 0.449 219 L N 0.814 122.024 121.223 -0.022 0.000 2.151 219 L HA -0.284 4.056 4.340 -0.000 0.000 0.215 219 L C 2.313 179.176 176.870 -0.012 0.000 1.084 219 L CA 1.450 56.278 54.840 -0.021 0.000 0.764 219 L CB -0.379 41.670 42.059 -0.017 0.000 0.891 219 L HN 0.206 nan 8.230 nan 0.000 0.435 220 Q N -0.738 119.058 119.800 -0.007 0.000 2.360 220 Q HA 0.040 4.380 4.340 -0.000 0.000 0.202 220 Q C 0.976 176.975 176.000 -0.002 0.000 0.915 220 Q CA 0.027 55.830 55.803 -0.000 0.000 0.943 220 Q CB 0.276 29.016 28.738 0.003 0.000 1.064 220 Q HN 0.620 nan 8.270 nan 0.000 0.511 221 Q N 2.302 122.097 119.800 -0.008 0.000 2.259 221 Q HA 0.295 4.635 4.340 -0.000 0.000 0.246 221 Q C -2.503 173.494 176.000 -0.005 0.000 0.920 221 Q CA -2.184 53.614 55.803 -0.008 0.000 0.895 221 Q CB -0.532 28.197 28.738 -0.015 0.000 1.220 221 Q HN 0.033 nan 8.270 nan 0.000 0.439 222 P HA 0.220 nan 4.420 nan 0.000 0.271 222 P C -2.509 174.793 177.300 0.004 0.000 1.226 222 P CA -0.822 62.279 63.100 0.002 0.000 0.765 222 P CB 0.789 32.492 31.700 0.004 0.000 0.835 223 P HA 0.270 nan 4.420 nan 0.000 0.278 223 P C -0.381 176.937 177.300 0.031 0.000 1.258 223 P CA -0.396 62.715 63.100 0.018 0.000 0.811 223 P CB 0.861 32.574 31.700 0.022 0.000 1.063 224 Q N 1.398 121.231 119.800 0.054 0.000 2.312 224 Q HA 0.362 4.701 4.340 -0.000 0.000 0.236 224 Q C -1.996 174.047 176.000 0.073 0.000 0.965 224 Q CA -1.688 54.156 55.803 0.067 0.000 0.894 224 Q CB 0.041 28.840 28.738 0.102 0.000 1.225 224 Q HN 0.348 nan 8.270 nan 0.000 0.478 225 P HA 0.135 nan 4.420 nan 0.000 0.277 225 P C -0.612 176.681 177.300 -0.011 0.000 1.240 225 P CA -0.125 62.996 63.100 0.034 0.000 0.798 225 P CB 0.694 32.430 31.700 0.059 0.000 0.979 226 I N 3.656 124.196 120.570 -0.050 0.000 2.648 226 I HA 0.051 4.221 4.170 -0.000 0.000 0.284 226 I C -1.373 174.688 176.117 -0.094 0.000 1.153 226 I CA -1.513 59.674 61.300 -0.188 0.000 1.426 226 I CB 0.194 38.113 38.000 -0.135 0.000 1.381 226 I HN 0.268 nan 8.210 nan 0.000 0.571 227 P HA 0.135 nan 4.420 nan 0.000 0.275 227 P C -1.214 176.084 177.300 -0.003 0.000 1.228 227 P CA 0.210 63.225 63.100 -0.142 0.000 0.786 227 P CB 0.733 32.327 31.700 -0.177 0.000 0.927 228 H N 0.097 119.134 119.070 -0.055 0.000 2.908 228 H HA 0.566 5.122 4.556 -0.000 0.000 0.350 228 H C -0.869 174.479 175.328 0.033 0.000 1.217 228 H CA -1.023 55.007 56.048 -0.030 0.000 1.168 228 H CB 1.668 31.418 29.762 -0.020 0.000 1.891 228 H HN 0.412 nan 8.280 nan 0.000 0.566 229 Q N 0.927 120.848 119.800 0.201 0.000 2.275 229 Q HA 0.269 4.609 4.340 -0.000 0.000 0.258 229 Q C -1.118 175.053 176.000 0.286 0.000 0.960 229 Q CA -0.664 55.253 55.803 0.190 0.000 0.801 229 Q CB 3.201 32.059 28.738 0.200 0.000 1.302 229 Q HN 0.461 nan 8.270 nan 0.000 0.433 230 K N 1.669 122.182 120.400 0.187 0.000 2.350 230 K HA 0.304 4.624 4.320 -0.000 0.000 0.279 230 K C -0.483 176.216 176.600 0.164 0.000 1.027 230 K CA -0.066 56.336 56.287 0.191 0.000 0.969 230 K CB 0.577 33.121 32.500 0.074 0.000 0.954 230 K HN 0.266 nan 8.250 nan 0.000 0.474 231 L N 3.487 124.820 121.223 0.183 0.000 2.527 231 L HA 0.111 4.451 4.340 -0.000 0.000 0.261 231 L C 0.583 177.517 176.870 0.107 0.000 1.534 231 L CA 0.263 55.169 54.840 0.108 0.000 0.757 231 L CB 0.690 42.779 42.059 0.051 0.000 0.999 231 L HN 0.691 nan 8.230 nan 0.000 0.517 232 E N -0.059 120.198 120.200 0.094 0.000 2.130 232 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 232 E C 0.476 177.107 176.600 0.051 0.000 0.998 232 E CA 1.384 57.829 56.400 0.075 0.000 0.806 232 E CB 0.174 29.907 29.700 0.056 0.000 0.738 232 E HN 0.561 nan 8.360 nan 0.000 0.459 233 N N 0.489 119.218 118.700 0.048 0.000 2.295 233 N HA 0.050 4.790 4.740 -0.000 0.000 0.221 233 N C 0.152 175.701 175.510 0.067 0.000 1.129 233 N CA -0.010 53.067 53.050 0.045 0.000 0.836 233 N CB 0.122 38.629 38.487 0.033 0.000 1.040 233 N HN 0.221 nan 8.380 nan 0.000 0.494 234 M N 1.405 121.057 119.600 0.087 0.000 2.286 234 M HA -0.123 4.357 4.480 -0.000 0.000 0.365 234 M C -0.506 175.921 176.300 0.212 0.000 1.443 234 M CA 0.752 56.125 55.300 0.122 0.000 0.951 234 M CB 0.418 33.114 32.600 0.160 0.000 1.961 234 M HN -0.046 nan 8.290 nan 0.000 0.468 235 Q N 4.332 124.215 119.800 0.138 0.000 2.274 235 Q HA 0.487 4.827 4.340 -0.000 0.000 0.260 235 Q C -1.140 174.861 176.000 0.002 0.000 0.974 235 Q CA -0.749 55.135 55.803 0.135 0.000 0.876 235 Q CB 2.045 30.817 28.738 0.057 0.000 1.297 235 Q HN 0.820 nan 8.270 nan 0.000 0.446 236 L N 0.890 122.045 121.223 -0.114 0.000 2.325 236 L HA 0.526 4.866 4.340 -0.000 0.000 0.279 236 L C -0.695 176.096 176.870 -0.131 0.000 1.054 236 L CA 0.332 54.947 54.840 -0.374 0.000 0.804 236 L CB 1.442 42.982 42.059 -0.864 0.000 1.200 236 L HN 0.531 nan 8.230 nan 0.000 0.436 237 S N 2.763 118.416 115.700 -0.078 0.000 2.632 237 S HA 0.758 5.228 4.470 -0.000 0.000 0.289 237 S C -1.476 173.134 174.600 0.016 0.000 1.115 237 S CA -0.672 57.519 58.200 -0.016 0.000 0.889 237 S CB 1.705 64.897 63.200 -0.014 0.000 1.116 237 S HN 0.869 nan 8.310 nan 0.000 0.486 238 C N 2.150 121.422 119.300 -0.047 0.000 3.082 238 C HA 0.492 4.951 4.460 -0.000 0.000 0.324 238 C C 0.781 175.666 174.990 -0.175 0.000 1.210 238 C CA -0.699 58.198 59.018 -0.201 0.000 1.366 238 C CB 1.095 28.634 27.740 -0.334 0.000 1.756 238 C HN 1.095 nan 8.230 nan 0.000 0.485 239 N N 2.387 120.957 118.700 -0.216 0.000 2.457 239 N HA -0.018 4.722 4.740 -0.000 0.000 0.180 239 N C -0.029 175.403 175.510 -0.129 0.000 1.050 239 N CA 0.743 53.708 53.050 -0.143 0.000 0.906 239 N CB 0.137 38.541 38.487 -0.138 0.000 0.968 239 N HN 0.857 nan 8.380 nan 0.000 0.445 240 Q N 0.455 120.150 119.800 -0.175 0.000 2.323 240 Q HA 0.334 4.674 4.340 -0.000 0.000 0.271 240 Q C -0.536 175.410 176.000 -0.091 0.000 1.048 240 Q CA -0.764 54.978 55.803 -0.101 0.000 0.792 240 Q CB 2.295 31.003 28.738 -0.050 0.000 1.280 240 Q HN 0.274 nan 8.270 nan 0.000 0.441 241 S N 0.877 116.559 115.700 -0.030 0.000 2.626 241 S HA 0.097 4.567 4.470 -0.000 0.000 0.257 241 S C 0.312 174.931 174.600 0.032 0.000 1.288 241 S CA -0.135 58.064 58.200 -0.002 0.000 0.980 241 S CB 0.604 63.811 63.200 0.011 0.000 0.975 241 S HN 0.546 nan 8.310 nan 0.000 0.577 242 D N 0.616 121.047 120.400 0.051 0.000 2.117 242 D HA 0.009 4.649 4.640 -0.000 0.000 0.198 242 D C 1.916 178.276 176.300 0.099 0.000 0.982 242 D CA 1.291 55.341 54.000 0.083 0.000 0.828 242 D CB -0.353 40.490 40.800 0.072 0.000 0.967 242 D HN 0.646 nan 8.370 nan 0.000 0.464 243 E N 0.660 120.897 120.200 0.062 0.000 2.077 243 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 243 E C 1.935 178.561 176.600 0.042 0.000 0.989 243 E CA 0.858 57.286 56.400 0.048 0.000 0.800 243 E CB -0.144 29.574 29.700 0.029 0.000 0.746 243 E HN 0.421 nan 8.360 nan 0.000 0.452 244 E N -0.743 119.482 120.200 0.041 0.000 2.072 244 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 244 E C 1.777 178.400 176.600 0.037 0.000 0.982 244 E CA 0.754 57.168 56.400 0.024 0.000 0.803 244 E CB -0.190 29.517 29.700 0.010 0.000 0.755 244 E HN 0.299 nan 8.360 nan 0.000 0.453 245 Y N 1.071 121.344 120.300 -0.045 0.000 2.242 245 Y HA -0.115 4.435 4.550 -0.000 0.000 0.291 245 Y C 2.254 178.141 175.900 -0.021 0.000 1.137 245 Y CA 1.674 59.747 58.100 -0.045 0.000 1.181 245 Y CB -0.498 37.932 38.460 -0.050 0.000 0.989 245 Y HN -0.008 nan 8.280 nan 0.000 0.527 246 G N -0.256 108.589 108.800 0.074 0.000 2.432 246 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 246 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 246 G C 1.808 176.665 174.900 -0.072 0.000 1.135 246 G CA 0.872 45.975 45.100 0.004 0.000 0.767 246 G HN 0.584 nan 8.290 nan 0.000 0.550 247 A N 0.112 122.896 122.820 -0.060 0.000 1.902 247 A HA 0.094 4.413 4.320 -0.000 0.000 0.217 247 A C 2.600 180.118 177.584 -0.110 0.000 1.181 247 A CA 1.760 53.758 52.037 -0.064 0.000 0.623 247 A CB -0.557 18.418 19.000 -0.042 0.000 0.818 247 A HN 0.244 nan 8.150 nan 0.000 0.443 248 V N -0.358 119.450 119.914 -0.177 0.000 2.307 248 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 248 V C 2.594 178.543 176.094 -0.242 0.000 1.045 248 V CA 1.911 64.080 62.300 -0.219 0.000 1.024 248 V CB -0.788 30.854 31.823 -0.301 0.000 0.651 248 V HN 0.373 nan 8.190 nan 0.000 0.449 249 V N 1.243 120.957 119.914 -0.333 0.000 2.231 249 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 249 V C 2.714 178.738 176.094 -0.117 0.000 1.054 249 V CA 2.593 64.751 62.300 -0.238 0.000 1.015 249 V CB -1.147 30.552 31.823 -0.208 0.000 0.638 249 V HN 0.764 nan 8.190 nan 0.000 0.444 250 S N -0.149 115.498 115.700 -0.088 0.000 2.400 250 S HA -0.297 4.173 4.470 -0.000 0.000 0.232 250 S C 1.921 176.493 174.600 -0.048 0.000 1.025 250 S CA 1.837 60.007 58.200 -0.049 0.000 0.993 250 S CB -0.504 62.675 63.200 -0.034 0.000 0.808 250 S HN 0.763 nan 8.310 nan 0.000 0.478 251 E N 1.228 121.390 120.200 -0.063 0.000 2.107 251 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 251 E C 1.985 178.554 176.600 -0.052 0.000 0.982 251 E CA 0.852 57.220 56.400 -0.053 0.000 0.809 251 E CB -0.224 29.440 29.700 -0.059 0.000 0.756 251 E HN 0.582 nan 8.360 nan 0.000 0.459 252 L N 0.550 121.733 121.223 -0.066 0.000 2.141 252 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 252 L C 2.526 179.373 176.870 -0.037 0.000 1.094 252 L CA 0.937 55.743 54.840 -0.056 0.000 0.763 252 L CB -0.246 41.771 42.059 -0.070 0.000 0.908 252 L HN 0.202 nan 8.230 nan 0.000 0.437 253 Q N -0.428 119.352 119.800 -0.032 0.000 2.291 253 Q HA -0.232 4.108 4.340 -0.000 0.000 0.205 253 Q C 1.912 177.907 176.000 -0.008 0.000 0.970 253 Q CA 0.972 56.769 55.803 -0.011 0.000 0.876 253 Q CB 0.079 28.813 28.738 -0.006 0.000 0.935 253 Q HN 0.336 nan 8.270 nan 0.000 0.455 254 E N 0.800 120.989 120.200 -0.017 0.000 2.047 254 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 254 E C 1.780 178.372 176.600 -0.015 0.000 0.987 254 E CA 1.347 57.739 56.400 -0.014 0.000 0.799 254 E CB -0.186 29.502 29.700 -0.019 0.000 0.752 254 E HN 0.348 nan 8.360 nan 0.000 0.449 255 A N 0.402 123.207 122.820 -0.024 0.000 1.972 255 A HA -0.153 4.166 4.320 -0.000 0.000 0.219 255 A C 2.287 179.853 177.584 -0.029 0.000 1.169 255 A CA 1.375 53.393 52.037 -0.033 0.000 0.635 255 A CB -0.686 18.287 19.000 -0.045 0.000 0.810 255 A HN 0.330 nan 8.150 nan 0.000 0.446 256 I N -1.128 119.434 120.570 -0.013 0.000 2.179 256 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 256 I C 2.715 178.856 176.117 0.039 0.000 1.088 256 I CA 1.732 63.042 61.300 0.017 0.000 1.357 256 I CB -0.348 37.676 38.000 0.039 0.000 1.051 256 I HN 0.372 nan 8.210 nan 0.000 0.409 257 R N 0.694 121.210 120.500 0.026 0.000 2.120 257 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 257 R C 2.092 178.407 176.300 0.026 0.000 1.123 257 R CA 1.163 57.281 56.100 0.030 0.000 0.975 257 R CB 0.047 30.358 30.300 0.018 0.000 0.866 257 R HN 0.347 nan 8.270 nan 0.000 0.446 258 Q N -0.687 119.120 119.800 0.011 0.000 2.472 258 Q HA 0.046 4.386 4.340 -0.000 0.000 0.208 258 Q C 1.005 177.010 176.000 0.009 0.000 0.958 258 Q CA 1.029 56.835 55.803 0.005 0.000 0.932 258 Q CB 0.710 29.442 28.738 -0.009 0.000 1.007 258 Q HN 0.651 nan 8.270 nan 0.000 0.508 259 G N 0.989 109.800 108.800 0.018 0.000 2.136 259 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.242 259 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.242 259 G C 0.747 175.595 174.900 -0.086 0.000 0.989 259 G CA 0.558 45.673 45.100 0.025 0.000 0.682 259 G HN 0.413 nan 8.290 nan 0.000 0.522 260 E N -0.538 119.600 120.200 -0.104 0.000 2.107 260 E HA 0.110 4.460 4.350 -0.000 0.000 0.191 260 E C 1.517 177.951 176.600 -0.276 0.000 0.982 260 E CA 1.378 57.689 56.400 -0.148 0.000 0.809 260 E CB 0.048 29.688 29.700 -0.100 0.000 0.756 260 E HN 0.896 nan 8.360 nan 0.000 0.459 261 I N -5.000 115.389 120.570 -0.301 0.000 3.191 261 I HA 0.290 4.460 4.170 -0.000 0.000 0.313 261 I C -0.192 175.707 176.117 -0.364 0.000 1.193 261 I CA -0.869 60.175 61.300 -0.427 0.000 0.968 261 I CB 1.264 39.145 38.000 -0.198 0.000 1.262 261 I HN -0.236 nan 8.210 nan 0.000 0.456 262 F N -0.011 119.936 119.950 -0.004 0.000 2.727 262 F HA 0.377 4.904 4.527 0.000 0.000 0.302 262 F C 0.741 176.543 175.800 0.003 0.000 1.107 262 F CA -0.171 57.828 58.000 -0.001 0.000 1.277 262 F CB 0.792 39.791 39.000 -0.002 0.000 1.079 262 F HN 0.563 nan 8.300 nan 0.000 0.594 263 Q N 0.772 120.643 119.800 0.118 0.000 2.545 263 Q HA 0.549 4.889 4.340 -0.000 0.000 0.273 263 Q C -2.217 173.801 176.000 0.029 0.000 0.975 263 Q CA -0.576 55.274 55.803 0.079 0.000 0.876 263 Q CB 2.969 31.767 28.738 0.099 0.000 1.472 263 Q HN -0.065 nan 8.270 nan 0.000 0.389 264 V N 2.581 122.510 119.914 0.026 0.000 3.087 264 V HA 0.662 4.782 4.120 -0.000 0.000 0.306 264 V C -1.753 174.363 176.094 0.036 0.000 1.187 264 V CA -0.441 61.868 62.300 0.015 0.000 0.999 264 V CB 2.564 34.381 31.823 -0.010 0.000 1.049 264 V HN 0.641 nan 8.190 nan 0.000 0.431 265 V N 7.232 127.176 119.914 0.049 0.000 2.235 265 V HA 0.413 4.532 4.120 -0.000 0.000 0.266 265 V C -2.234 173.921 176.094 0.101 0.000 1.055 265 V CA -1.260 61.091 62.300 0.084 0.000 0.844 265 V CB 0.928 32.802 31.823 0.084 0.000 1.097 265 V HN 0.821 nan 8.190 nan 0.000 0.453 266 P HA 0.330 nan 4.420 nan 0.000 0.274 266 P C -0.291 177.153 177.300 0.239 0.000 1.231 266 P CA 0.152 63.303 63.100 0.085 0.000 0.790 266 P CB 1.679 33.341 31.700 -0.063 0.000 0.951 267 S N 1.693 117.494 115.700 0.169 0.000 2.634 267 S HA 0.830 5.300 4.470 -0.000 0.000 0.296 267 S C -0.444 174.137 174.600 -0.033 0.000 1.104 267 S CA -0.909 57.331 58.200 0.066 0.000 0.920 267 S CB 2.251 65.363 63.200 -0.146 0.000 1.111 267 S HN 0.659 nan 8.310 nan 0.000 0.493 268 R N 0.220 120.574 120.500 -0.243 0.000 2.795 268 R HA 0.599 4.939 4.340 -0.000 0.000 0.275 268 R C -1.358 174.641 176.300 -0.501 0.000 0.981 268 R CA -1.045 54.846 56.100 -0.347 0.000 0.917 268 R CB 1.436 31.465 30.300 -0.451 0.000 1.202 268 R HN 0.670 nan 8.270 nan 0.000 0.469 269 R N 2.080 122.309 120.500 -0.453 0.000 2.215 269 R HA 0.288 4.628 4.340 -0.000 0.000 0.337 269 R C -0.853 175.210 176.300 -0.396 0.000 1.010 269 R CA -0.361 55.511 56.100 -0.380 0.000 0.871 269 R CB 0.648 30.797 30.300 -0.252 0.000 1.134 269 R HN 0.392 nan 8.270 nan 0.000 0.477 270 F N 0.555 120.409 119.950 -0.159 0.000 2.380 270 F HA 0.272 4.799 4.527 -0.000 0.000 0.325 270 F C 1.120 176.861 175.800 -0.099 0.000 1.136 270 F CA 0.285 58.200 58.000 -0.142 0.000 1.171 270 F CB 1.496 40.395 39.000 -0.169 0.000 1.230 270 F HN 0.292 nan 8.300 nan 0.000 0.554 271 S N 2.358 118.127 115.700 0.115 0.000 2.536 271 S HA 0.835 5.305 4.470 -0.000 0.000 0.271 271 S C -1.492 173.130 174.600 0.037 0.000 1.134 271 S CA -0.577 57.695 58.200 0.120 0.000 0.897 271 S CB 0.810 64.134 63.200 0.207 0.000 1.094 271 S HN 0.583 nan 8.310 nan 0.000 0.473 272 L N 4.143 125.403 121.223 0.061 0.000 2.505 272 L HA 0.537 4.877 4.340 -0.000 0.000 0.259 272 L C -2.429 174.437 176.870 -0.006 0.000 0.952 272 L CA -1.955 52.869 54.840 -0.026 0.000 0.840 272 L CB 2.914 44.952 42.059 -0.036 0.000 1.358 272 L HN 0.513 nan 8.230 nan 0.000 0.409 273 P HA -0.030 nan 4.420 nan 0.000 0.267 273 P C -0.667 176.580 177.300 -0.087 0.000 1.200 273 P CA -0.179 62.852 63.100 -0.114 0.000 0.772 273 P CB 1.123 32.738 31.700 -0.142 0.000 0.855 274 C N 5.299 124.586 119.300 -0.022 0.000 3.319 274 C HA 0.236 4.696 4.460 -0.000 0.000 0.258 274 C C -1.351 173.732 174.990 0.154 0.000 1.068 274 C CA -1.335 57.710 59.018 0.045 0.000 1.193 274 C CB -0.073 27.812 27.740 0.241 0.000 1.770 274 C HN 0.474 nan 8.230 nan 0.000 0.604 275 P HA 0.060 nan 4.420 nan 0.000 0.226 275 P C 0.419 177.877 177.300 0.263 0.000 1.153 275 P CA 1.000 64.207 63.100 0.178 0.000 0.777 275 P CB 0.295 32.069 31.700 0.125 0.000 0.794 276 A N 0.876 123.962 122.820 0.443 0.000 3.064 276 A HA 0.417 4.737 4.320 -0.000 0.000 0.339 276 A C -1.481 176.225 177.584 0.202 0.000 1.078 276 A CA -1.419 50.772 52.037 0.255 0.000 0.869 276 A CB 0.372 19.450 19.000 0.130 0.000 1.067 276 A HN -0.002 nan 8.150 nan 0.000 0.480 277 P HA -0.209 nan 4.420 nan 0.000 0.215 277 P C 1.590 178.930 177.300 0.065 0.000 1.157 277 P CA 0.830 64.075 63.100 0.243 0.000 0.868 277 P CB 0.228 32.161 31.700 0.389 0.000 0.788 278 L N 0.158 121.453 121.223 0.119 0.000 2.127 278 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 278 L C 2.502 179.261 176.870 -0.184 0.000 1.089 278 L CA 2.240 56.952 54.840 -0.214 0.000 0.757 278 L CB -1.583 40.263 42.059 -0.355 0.000 0.899 278 L HN -0.036 nan 8.230 nan 0.000 0.434 279 G N -0.175 108.541 108.800 -0.140 0.000 2.433 279 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 279 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 279 G C -0.648 174.135 174.900 -0.195 0.000 1.186 279 G CA 0.793 45.793 45.100 -0.167 0.000 0.779 279 G HN 0.399 nan 8.290 nan 0.000 0.543 280 P HA -0.149 nan 4.420 nan 0.000 0.218 280 P C 1.400 178.594 177.300 -0.177 0.000 1.149 280 P CA 0.938 63.977 63.100 -0.102 0.000 0.817 280 P CB -0.120 31.647 31.700 0.111 0.000 0.785 281 Y N 1.797 121.736 120.300 -0.601 0.000 2.181 281 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 281 Y C 2.651 178.430 175.900 -0.202 0.000 1.146 281 Y CA 1.877 59.677 58.100 -0.501 0.000 1.164 281 Y CB -1.023 37.137 38.460 -0.501 0.000 0.982 281 Y HN -0.147 nan 8.280 nan 0.000 0.515 282 Q N -0.043 119.528 119.800 -0.381 0.000 2.124 282 Q HA -0.117 4.222 4.340 -0.000 0.000 0.202 282 Q C 2.047 177.876 176.000 -0.284 0.000 0.977 282 Q CA 2.544 58.118 55.803 -0.381 0.000 0.850 282 Q CB -0.693 27.906 28.738 -0.232 0.000 0.901 282 Q HN 0.480 nan 8.270 nan 0.000 0.429 283 T N 0.863 115.295 114.554 -0.204 0.000 2.777 283 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 283 T C 1.559 176.199 174.700 -0.100 0.000 1.040 283 T CA 1.076 63.096 62.100 -0.134 0.000 1.141 283 T CB -0.334 68.474 68.868 -0.100 0.000 0.868 283 T HN 0.244 nan 8.240 nan 0.000 0.444 284 L N 1.315 122.487 121.223 -0.086 0.000 2.017 284 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 284 L C 2.217 179.033 176.870 -0.090 0.000 1.073 284 L CA 1.821 56.652 54.840 -0.015 0.000 0.745 284 L CB -0.492 41.630 42.059 0.106 0.000 0.894 284 L HN 0.083 nan 8.230 nan 0.000 0.432 285 K N -0.629 119.611 120.400 -0.266 0.000 2.032 285 K HA -0.179 4.140 4.320 -0.000 0.000 0.209 285 K C 1.851 178.367 176.600 -0.140 0.000 1.048 285 K CA 1.642 57.778 56.287 -0.251 0.000 0.927 285 K CB -0.277 31.965 32.500 -0.431 0.000 0.712 285 K HN 0.403 nan 8.250 nan 0.000 0.441 286 D N 0.438 120.751 120.400 -0.145 0.000 2.084 286 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 286 D C 1.581 177.845 176.300 -0.060 0.000 0.990 286 D CA 1.230 55.170 54.000 -0.100 0.000 0.826 286 D CB -0.359 40.378 40.800 -0.106 0.000 0.971 286 D HN 0.284 nan 8.370 nan 0.000 0.453 287 N N 0.131 118.808 118.700 -0.039 0.000 2.216 287 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 287 N C 0.791 176.312 175.510 0.019 0.000 1.017 287 N CA 0.423 53.471 53.050 -0.004 0.000 0.861 287 N CB 0.196 38.711 38.487 0.046 0.000 0.986 287 N HN 0.053 nan 8.380 nan 0.000 0.428 288 N N 0.660 119.389 118.700 0.048 0.000 2.723 288 N HA 0.167 4.907 4.740 -0.000 0.000 0.290 288 N C -2.949 172.635 175.510 0.124 0.000 1.882 288 N CA -1.506 51.610 53.050 0.109 0.000 0.851 288 N CB 0.944 39.533 38.487 0.170 0.000 1.234 288 N HN -0.034 nan 8.380 nan 0.000 0.491 289 P HA 0.029 nan 4.420 nan 0.000 0.264 289 P C -0.655 176.759 177.300 0.190 0.000 1.183 289 P CA 0.380 63.525 63.100 0.076 0.000 0.763 289 P CB 1.119 32.831 31.700 0.019 0.000 0.807 290 S N 3.275 119.095 115.700 0.201 0.000 2.618 290 S HA 0.438 4.908 4.470 -0.000 0.000 0.277 290 S C -1.792 172.945 174.600 0.228 0.000 1.138 290 S CA -1.152 57.241 58.200 0.323 0.000 0.844 290 S CB 1.959 65.339 63.200 0.301 0.000 1.127 290 S HN 0.331 nan 8.310 nan 0.000 0.474 291 P HA -0.079 nan 4.420 nan 0.000 0.218 291 P C -0.592 176.677 177.300 -0.051 0.000 1.148 291 P CA 1.482 64.621 63.100 0.064 0.000 0.822 291 P CB -0.005 31.738 31.700 0.072 0.000 0.784 292 Y N -0.529 119.885 120.300 0.189 0.000 2.338 292 Y HA 0.512 5.062 4.550 -0.000 0.000 0.333 292 Y C 0.602 176.684 175.900 0.302 0.000 0.968 292 Y CA -0.717 57.540 58.100 0.263 0.000 1.123 292 Y CB 1.550 40.187 38.460 0.295 0.000 1.165 292 Y HN -0.256 nan 8.280 nan 0.000 0.452 293 M N 5.571 125.440 119.600 0.448 0.000 2.393 293 M HA 0.606 5.086 4.480 -0.000 0.000 0.299 293 M C -1.539 175.028 176.300 0.445 0.000 1.103 293 M CA -0.689 54.817 55.300 0.343 0.000 0.910 293 M CB 2.184 34.955 32.600 0.286 0.000 1.659 293 M HN 0.578 nan 8.290 nan 0.000 0.445 294 F N 0.664 120.824 119.950 0.350 0.000 2.601 294 F HA 0.840 5.367 4.527 -0.000 0.000 0.309 294 F C -1.818 173.841 175.800 -0.236 0.000 1.089 294 F CA -1.259 56.795 58.000 0.090 0.000 0.940 294 F CB 1.310 40.379 39.000 0.114 0.000 1.273 294 F HN 0.450 nan 8.300 nan 0.000 0.450 295 F N 4.492 124.247 119.950 -0.325 0.000 2.671 295 F HA 0.575 5.102 4.527 -0.000 0.000 0.332 295 F C -1.409 174.279 175.800 -0.187 0.000 1.189 295 F CA -0.925 56.783 58.000 -0.487 0.000 0.988 295 F CB 1.802 40.173 39.000 -1.048 0.000 1.258 295 F HN 0.744 nan 8.300 nan 0.000 0.471 296 M N 6.448 125.889 119.600 -0.264 0.000 2.125 296 M HA 0.386 4.866 4.480 -0.000 0.000 0.321 296 M C -1.299 174.908 176.300 -0.154 0.000 0.983 296 M CA -0.435 54.840 55.300 -0.042 0.000 0.934 296 M CB 1.273 33.911 32.600 0.064 0.000 1.542 296 M HN 0.727 nan 8.290 nan 0.000 0.424 297 Q N 3.767 123.598 119.800 0.052 0.000 2.465 297 Q HA 0.212 4.552 4.340 -0.000 0.000 0.237 297 Q C -1.259 174.706 176.000 -0.060 0.000 1.051 297 Q CA -0.324 55.498 55.803 0.033 0.000 0.874 297 Q CB 0.875 29.821 28.738 0.346 0.000 1.207 297 Q HN 0.740 nan 8.270 nan 0.000 0.508 298 D N 0.940 121.144 120.400 -0.327 0.000 2.466 298 D HA 0.081 4.721 4.640 -0.000 0.000 0.262 298 D C 0.313 176.407 176.300 -0.344 0.000 1.177 298 D CA -0.310 53.426 54.000 -0.440 0.000 1.035 298 D CB 1.190 41.246 40.800 -1.241 0.000 1.105 298 D HN 0.383 nan 8.370 nan 0.000 0.551 299 D N -0.577 119.666 120.400 -0.261 0.000 2.149 299 D HA -0.070 4.569 4.640 -0.000 0.000 0.201 299 D C 0.448 176.675 176.300 -0.122 0.000 0.972 299 D CA 1.006 54.920 54.000 -0.144 0.000 0.835 299 D CB 0.036 40.789 40.800 -0.078 0.000 0.966 299 D HN 0.363 nan 8.370 nan 0.000 0.476 300 D N -0.933 119.372 120.400 -0.158 0.000 2.369 300 D HA 0.161 4.801 4.640 -0.000 0.000 0.211 300 D C 0.122 176.492 176.300 0.117 0.000 1.077 300 D CA -0.002 54.015 54.000 0.029 0.000 0.842 300 D CB 0.603 41.535 40.800 0.220 0.000 0.947 300 D HN 0.239 nan 8.370 nan 0.000 0.509 301 F N -2.718 117.207 119.950 -0.042 0.000 2.952 301 F HA 0.420 4.947 4.527 -0.000 0.000 0.329 301 F C -1.493 174.212 175.800 -0.158 0.000 1.137 301 F CA -1.156 56.734 58.000 -0.182 0.000 0.889 301 F CB 0.740 39.541 39.000 -0.332 0.000 1.335 301 F HN -0.413 nan 8.300 nan 0.000 0.449 302 T N 3.451 118.020 114.554 0.024 0.000 2.848 302 T HA 0.645 4.995 4.350 -0.000 0.000 0.285 302 T C -1.674 173.044 174.700 0.030 0.000 0.995 302 T CA -0.556 61.510 62.100 -0.057 0.000 0.970 302 T CB 1.503 70.309 68.868 -0.103 0.000 0.976 302 T HN 0.810 nan 8.240 nan 0.000 0.441 303 L N 5.823 127.082 121.223 0.059 0.000 2.381 303 L HA 0.799 5.139 4.340 -0.000 0.000 0.274 303 L C -1.696 175.232 176.870 0.096 0.000 0.988 303 L CA -0.879 54.028 54.840 0.111 0.000 0.824 303 L CB 1.117 43.348 42.059 0.287 0.000 1.263 303 L HN 0.788 nan 8.230 nan 0.000 0.410 304 F N 2.734 122.683 119.950 -0.001 0.000 2.626 304 F HA 0.978 5.505 4.527 -0.000 0.000 0.311 304 F C -0.401 175.253 175.800 -0.244 0.000 1.088 304 F CA -0.440 57.467 58.000 -0.157 0.000 0.949 304 F CB 1.811 40.696 39.000 -0.192 0.000 1.322 304 F HN 0.567 nan 8.300 nan 0.000 0.461 305 G N -0.175 108.321 108.800 -0.508 0.000 2.349 305 G HA2 0.674 4.634 3.960 -0.000 0.000 0.294 305 G HA3 0.674 4.634 3.960 -0.000 0.000 0.294 305 G C -2.403 172.224 174.900 -0.455 0.000 1.380 305 G CA -0.453 44.337 45.100 -0.518 0.000 0.811 305 G HN 1.515 nan 8.290 nan 0.000 0.519 306 A N 0.097 122.847 122.820 -0.118 0.000 2.702 306 A HA 0.763 5.083 4.320 -0.000 0.000 0.305 306 A C -0.081 177.563 177.584 0.101 0.000 1.213 306 A CA 0.270 52.333 52.037 0.043 0.000 0.745 306 A CB 0.943 19.997 19.000 0.091 0.000 1.161 306 A HN 1.699 nan 8.150 nan 0.000 0.445 307 S N 3.116 118.946 115.700 0.217 0.000 2.554 307 S HA 0.635 5.104 4.470 -0.000 0.000 0.278 307 S C -1.604 173.085 174.600 0.149 0.000 1.242 307 S CA -1.366 56.953 58.200 0.199 0.000 1.051 307 S CB 1.070 64.450 63.200 0.299 0.000 0.986 307 S HN 0.507 nan 8.310 nan 0.000 0.502 308 P HA 0.186 nan 4.420 nan 0.000 0.261 308 P C -0.317 177.041 177.300 0.097 0.000 1.268 308 P CA 0.259 63.337 63.100 -0.038 0.000 0.833 308 P CB 0.146 31.577 31.700 -0.449 0.000 1.231 309 E N 0.453 120.683 120.200 0.049 0.000 2.220 309 E HA 0.321 4.671 4.350 -0.000 0.000 0.256 309 E C -0.701 175.822 176.600 -0.129 0.000 0.881 309 E CA -0.658 55.752 56.400 0.016 0.000 0.766 309 E CB 1.274 30.996 29.700 0.037 0.000 1.187 309 E HN -0.221 nan 8.360 nan 0.000 0.419 310 S N 2.939 118.545 115.700 -0.157 0.000 2.568 310 S HA 0.294 4.764 4.470 -0.000 0.000 0.282 310 S C 0.625 175.150 174.600 -0.126 0.000 1.338 310 S CA 0.513 58.546 58.200 -0.279 0.000 1.045 310 S CB 1.143 64.362 63.200 0.032 0.000 0.873 310 S HN 0.640 nan 8.310 nan 0.000 0.516 311 A N 3.983 126.716 122.820 -0.146 0.000 2.051 311 A HA 0.521 4.841 4.320 -0.000 0.000 0.218 311 A C -0.052 177.525 177.584 -0.011 0.000 1.575 311 A CA 0.152 52.157 52.037 -0.054 0.000 0.700 311 A CB -0.333 18.656 19.000 -0.018 0.000 1.245 311 A HN 0.633 nan 8.150 nan 0.000 0.536 312 L N -0.062 121.177 121.223 0.025 0.000 2.385 312 L HA 0.538 4.877 4.340 -0.000 0.000 0.273 312 L C -0.625 176.302 176.870 0.094 0.000 0.990 312 L CA -0.263 54.605 54.840 0.047 0.000 0.821 312 L CB 1.867 43.949 42.059 0.039 0.000 1.279 312 L HN 0.317 nan 8.230 nan 0.000 0.412 313 K N 3.711 124.184 120.400 0.121 0.000 2.463 313 K HA 0.414 4.734 4.320 -0.000 0.000 0.255 313 K C -2.134 174.579 176.600 0.189 0.000 0.942 313 K CA -0.660 55.720 56.287 0.154 0.000 0.814 313 K CB 1.518 34.116 32.500 0.163 0.000 1.122 313 K HN 0.544 nan 8.250 nan 0.000 0.425 314 Y N 3.002 123.314 120.300 0.020 0.000 2.346 314 Y HA 0.261 4.811 4.550 -0.000 0.000 0.332 314 Y C -1.374 174.538 175.900 0.019 0.000 0.985 314 Y CA -1.222 56.883 58.100 0.009 0.000 1.112 314 Y CB 1.487 39.940 38.460 -0.012 0.000 1.170 314 Y HN 0.540 nan 8.280 nan 0.000 0.447 315 D N 4.830 124.892 120.400 -0.562 0.000 2.412 315 D HA 0.359 4.999 4.640 -0.000 0.000 0.224 315 D C 0.562 176.366 176.300 -0.827 0.000 1.093 315 D CA 0.251 53.964 54.000 -0.478 0.000 0.850 315 D CB 1.725 42.393 40.800 -0.219 0.000 1.046 315 D HN 0.800 nan 8.370 nan 0.000 0.507 316 A N 3.241 125.654 122.820 -0.678 0.000 2.067 316 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 316 A C 1.970 179.438 177.584 -0.194 0.000 1.158 316 A CA 1.508 53.282 52.037 -0.440 0.000 0.661 316 A CB -0.393 18.560 19.000 -0.078 0.000 0.801 316 A HN 0.615 nan 8.150 nan 0.000 0.452 317 G N 0.969 109.675 108.800 -0.156 0.000 2.421 317 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 317 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 317 G C 1.151 176.015 174.900 -0.061 0.000 1.171 317 G CA 1.085 46.140 45.100 -0.075 0.000 0.775 317 G HN 0.863 nan 8.290 nan 0.000 0.543 318 N N -1.691 116.957 118.700 -0.087 0.000 2.187 318 N HA 0.160 4.900 4.740 -0.000 0.000 0.212 318 N C 0.615 176.106 175.510 -0.033 0.000 1.152 318 N CA -0.350 52.676 53.050 -0.040 0.000 0.872 318 N CB 0.347 38.821 38.487 -0.022 0.000 1.025 318 N HN 0.110 nan 8.380 nan 0.000 0.514 319 R N 0.348 120.786 120.500 -0.104 0.000 3.758 319 R HA -0.216 4.123 4.340 -0.000 0.000 0.299 319 R C -0.536 175.827 176.300 0.105 0.000 1.182 319 R CA 0.630 56.729 56.100 -0.001 0.000 0.809 319 R CB -1.906 28.493 30.300 0.164 0.000 1.249 319 R HN 0.603 nan 8.270 nan 0.000 0.497 320 Q N 1.322 121.109 119.800 -0.023 0.000 2.295 320 Q HA 0.432 4.772 4.340 -0.000 0.000 0.259 320 Q C -0.404 175.682 176.000 0.143 0.000 0.976 320 Q CA -0.080 55.762 55.803 0.065 0.000 0.923 320 Q CB 0.781 29.539 28.738 0.034 0.000 1.185 320 Q HN 0.361 nan 8.270 nan 0.000 0.410 321 I N 3.418 124.120 120.570 0.221 0.000 2.525 321 I HA 0.391 4.561 4.170 -0.000 0.000 0.301 321 I C -1.051 175.124 176.117 0.097 0.000 0.992 321 I CA -0.500 60.943 61.300 0.238 0.000 1.162 321 I CB 1.401 39.511 38.000 0.184 0.000 1.332 321 I HN 0.749 nan 8.210 nan 0.000 0.458 322 E N 6.958 127.212 120.200 0.089 0.000 2.340 322 E HA 0.544 4.894 4.350 -0.000 0.000 0.273 322 E C -1.372 175.263 176.600 0.059 0.000 0.891 322 E CA -0.720 55.716 56.400 0.060 0.000 0.757 322 E CB 3.043 32.799 29.700 0.094 0.000 1.231 322 E HN 0.440 nan 8.360 nan 0.000 0.439 323 I N 1.700 122.295 120.570 0.042 0.000 2.569 323 I HA 0.276 4.446 4.170 -0.000 0.000 0.296 323 I C -1.292 174.893 176.117 0.115 0.000 1.028 323 I CA -0.890 60.436 61.300 0.044 0.000 1.082 323 I CB 1.680 39.664 38.000 -0.026 0.000 1.264 323 I HN 0.590 nan 8.210 nan 0.000 0.429 324 Y N 7.486 127.781 120.300 -0.009 0.000 2.747 324 Y HA 0.358 4.908 4.550 -0.000 0.000 0.362 324 Y C -2.256 173.643 175.900 -0.000 0.000 1.026 324 Y CA -2.399 55.712 58.100 0.019 0.000 1.135 324 Y CB 0.737 39.236 38.460 0.065 0.000 1.175 324 Y HN 0.259 nan 8.280 nan 0.000 0.643 325 P HA 0.107 nan 4.420 nan 0.000 0.267 325 P C -0.449 176.822 177.300 -0.049 0.000 1.205 325 P CA 0.642 63.702 63.100 -0.067 0.000 0.765 325 P CB 1.464 33.069 31.700 -0.158 0.000 0.828 326 I N 2.647 123.216 120.570 -0.001 0.000 2.389 326 I HA 0.613 4.783 4.170 -0.000 0.000 0.288 326 I C -0.125 175.995 176.117 0.005 0.000 0.999 326 I CA -0.742 60.578 61.300 0.034 0.000 1.129 326 I CB 1.899 39.880 38.000 -0.031 0.000 1.288 326 I HN 0.366 nan 8.210 nan 0.000 0.444 327 A N 4.813 127.720 122.820 0.145 0.000 2.485 327 A HA 0.808 5.128 4.320 -0.000 0.000 0.285 327 A C -0.356 177.401 177.584 0.288 0.000 1.045 327 A CA -0.185 51.940 52.037 0.147 0.000 0.792 327 A CB 1.425 20.441 19.000 0.027 0.000 1.307 327 A HN 1.116 nan 8.150 nan 0.000 0.406 328 G N 1.342 110.278 108.800 0.226 0.000 3.326 328 G HA2 0.519 4.479 3.960 -0.000 0.000 0.681 328 G HA3 0.519 4.479 3.960 -0.000 0.000 0.681 328 G C -0.788 174.289 174.900 0.294 0.000 1.255 328 G CA -0.145 45.085 45.100 0.216 0.000 0.976 328 G HN 1.379 nan 8.290 nan 0.000 0.563 329 T N 2.811 117.504 114.554 0.232 0.000 2.916 329 T HA 0.904 5.254 4.350 -0.000 0.000 0.305 329 T C -0.453 174.303 174.700 0.094 0.000 1.119 329 T CA -0.940 61.279 62.100 0.198 0.000 1.008 329 T CB 2.261 71.281 68.868 0.253 0.000 1.129 329 T HN 0.703 nan 8.240 nan 0.000 0.480 330 R N 1.065 121.586 120.500 0.034 0.000 2.680 330 R HA 0.529 4.869 4.340 -0.000 0.000 0.269 330 R C -3.156 173.154 176.300 0.017 0.000 1.026 330 R CA -2.123 53.996 56.100 0.032 0.000 0.889 330 R CB 1.734 32.050 30.300 0.027 0.000 1.241 330 R HN 0.369 nan 8.270 nan 0.000 0.463 331 P HA 0.284 nan 4.420 nan 0.000 0.276 331 P C -0.362 176.958 177.300 0.033 0.000 1.252 331 P CA -0.579 62.554 63.100 0.055 0.000 0.802 331 P CB 0.621 32.361 31.700 0.067 0.000 1.035 332 R N 0.605 121.122 120.500 0.028 0.000 2.679 332 R HA 0.361 4.701 4.340 -0.000 0.000 0.269 332 R C 0.767 177.068 176.300 0.001 0.000 1.076 332 R CA -0.199 55.899 56.100 -0.003 0.000 1.160 332 R CB -0.278 29.999 30.300 -0.039 0.000 1.054 332 R HN 0.601 nan 8.270 nan 0.000 0.507 333 G N 1.698 110.493 108.800 -0.009 0.000 2.349 333 G HA2 0.385 4.344 3.960 -0.000 0.000 0.281 333 G HA3 0.385 4.344 3.960 -0.000 0.000 0.281 333 G C -0.258 174.635 174.900 -0.013 0.000 1.182 333 G CA -0.473 44.624 45.100 -0.006 0.000 0.899 333 G HN 0.320 nan 8.290 nan 0.000 0.455 334 R N 1.522 122.019 120.500 -0.004 0.000 2.837 334 R HA 0.479 4.819 4.340 -0.000 0.000 0.271 334 R C 0.054 176.352 176.300 -0.004 0.000 0.993 334 R CA -1.026 55.069 56.100 -0.008 0.000 0.931 334 R CB 2.409 32.708 30.300 -0.001 0.000 1.206 334 R HN 0.540 nan 8.270 nan 0.000 0.474 335 R N 0.272 120.768 120.500 -0.007 0.000 2.574 335 R HA 0.326 4.666 4.340 -0.000 0.000 0.266 335 R C 0.895 177.196 176.300 0.000 0.000 1.157 335 R CA -0.103 55.995 56.100 -0.004 0.000 1.187 335 R CB 0.307 30.602 30.300 -0.008 0.000 1.179 335 R HN 0.733 nan 8.270 nan 0.000 0.600 336 A N 0.995 123.816 122.820 0.001 0.000 2.015 336 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 336 A C 1.369 178.956 177.584 0.004 0.000 1.163 336 A CA 1.873 53.913 52.037 0.004 0.000 0.646 336 A CB -0.675 18.327 19.000 0.003 0.000 0.806 336 A HN 0.840 nan 8.150 nan 0.000 0.448 337 D N -2.841 117.559 120.400 -0.001 0.000 2.363 337 D HA 0.291 4.931 4.640 -0.000 0.000 0.220 337 D C 1.198 177.498 176.300 -0.001 0.000 0.994 337 D CA 1.145 55.144 54.000 -0.002 0.000 0.890 337 D CB -0.177 40.619 40.800 -0.006 0.000 0.906 337 D HN 0.653 nan 8.370 nan 0.000 0.530 338 G N -0.241 108.559 108.800 0.001 0.000 2.259 338 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 338 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 338 G C 0.512 175.401 174.900 -0.019 0.000 1.001 338 G CA 0.188 45.289 45.100 0.003 0.000 0.627 338 G HN 0.841 nan 8.290 nan 0.000 0.501 339 S N 0.951 116.636 115.700 -0.025 0.000 2.614 339 S HA 0.692 5.162 4.470 -0.000 0.000 0.265 339 S C 0.392 174.968 174.600 -0.040 0.000 1.303 339 S CA -0.612 57.564 58.200 -0.040 0.000 1.000 339 S CB 1.610 64.790 63.200 -0.034 0.000 0.935 339 S HN 0.750 nan 8.310 nan 0.000 0.551 340 L N 2.072 123.264 121.223 -0.052 0.000 2.455 340 L HA 0.295 4.635 4.340 -0.000 0.000 0.272 340 L C 0.319 177.170 176.870 -0.033 0.000 1.174 340 L CA 0.642 55.453 54.840 -0.048 0.000 0.869 340 L CB 0.123 42.147 42.059 -0.059 0.000 1.130 340 L HN 0.808 nan 8.230 nan 0.000 0.474 341 D N 3.950 124.335 120.400 -0.026 0.000 2.454 341 D HA 0.149 4.788 4.640 -0.000 0.000 0.225 341 D C 1.068 177.356 176.300 -0.020 0.000 1.081 341 D CA -0.263 53.725 54.000 -0.019 0.000 0.864 341 D CB 0.678 41.470 40.800 -0.012 0.000 1.040 341 D HN 0.454 nan 8.370 nan 0.000 0.517 342 L N 2.546 123.756 121.223 -0.022 0.000 2.083 342 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 342 L C 1.828 178.688 176.870 -0.017 0.000 1.083 342 L CA 1.086 55.913 54.840 -0.022 0.000 0.752 342 L CB -0.169 41.876 42.059 -0.024 0.000 0.899 342 L HN 0.411 nan 8.230 nan 0.000 0.433 343 D N 0.242 120.634 120.400 -0.014 0.000 2.097 343 D HA -0.226 4.414 4.640 -0.000 0.000 0.197 343 D C 2.118 178.413 176.300 -0.009 0.000 0.984 343 D CA 0.858 54.852 54.000 -0.011 0.000 0.826 343 D CB 0.099 40.894 40.800 -0.009 0.000 0.973 343 D HN 0.119 nan 8.370 nan 0.000 0.460 344 L N 0.484 121.702 121.223 -0.008 0.000 2.083 344 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 344 L C 1.623 178.490 176.870 -0.006 0.000 1.083 344 L CA 1.935 56.772 54.840 -0.005 0.000 0.752 344 L CB -0.767 41.290 42.059 -0.003 0.000 0.899 344 L HN 0.059 nan 8.230 nan 0.000 0.433 345 D N -1.121 119.273 120.400 -0.011 0.000 2.117 345 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 345 D C 2.323 178.616 176.300 -0.012 0.000 0.987 345 D CA 1.449 55.441 54.000 -0.013 0.000 0.829 345 D CB -0.028 40.760 40.800 -0.022 0.000 0.961 345 D HN 0.557 nan 8.370 nan 0.000 0.460 346 S N -0.544 115.149 115.700 -0.012 0.000 2.423 346 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 346 S C 1.979 176.574 174.600 -0.009 0.000 1.014 346 S CA 0.345 58.538 58.200 -0.011 0.000 0.965 346 S CB -0.299 62.894 63.200 -0.012 0.000 0.785 346 S HN 0.231 nan 8.310 nan 0.000 0.495 347 R N 0.526 121.021 120.500 -0.007 0.000 2.090 347 R HA 0.191 4.531 4.340 -0.000 0.000 0.228 347 R C 2.244 178.542 176.300 -0.003 0.000 1.110 347 R CA 1.433 57.530 56.100 -0.005 0.000 0.973 347 R CB -0.531 29.768 30.300 -0.003 0.000 0.869 347 R HN 0.470 nan 8.270 nan 0.000 0.440 348 I N 0.861 121.430 120.570 -0.001 0.000 2.252 348 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 348 I C 2.658 178.776 176.117 0.001 0.000 1.102 348 I CA 1.186 62.488 61.300 0.003 0.000 1.385 348 I CB -0.301 37.702 38.000 0.005 0.000 1.064 348 I HN 0.270 nan 8.210 nan 0.000 0.414 349 E N 1.503 121.702 120.200 -0.003 0.000 2.049 349 E HA -0.276 4.073 4.350 -0.000 0.000 0.198 349 E C 2.400 178.995 176.600 -0.010 0.000 1.007 349 E CA 1.427 57.825 56.400 -0.004 0.000 0.809 349 E CB -0.109 29.587 29.700 -0.006 0.000 0.749 349 E HN 0.445 nan 8.360 nan 0.000 0.450 350 L N 0.919 122.135 121.223 -0.012 0.000 2.083 350 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 350 L C 2.632 179.489 176.870 -0.021 0.000 1.083 350 L CA 1.870 56.699 54.840 -0.018 0.000 0.752 350 L CB -0.434 41.616 42.059 -0.015 0.000 0.899 350 L HN 0.380 nan 8.230 nan 0.000 0.433 351 E N -0.025 120.168 120.200 -0.012 0.000 2.072 351 E HA -0.309 4.041 4.350 -0.000 0.000 0.191 351 E C 2.273 178.866 176.600 -0.012 0.000 0.985 351 E CA 1.432 57.826 56.400 -0.011 0.000 0.801 351 E CB -0.164 29.537 29.700 0.001 0.000 0.750 351 E HN 0.492 nan 8.360 nan 0.000 0.452 352 M N 0.339 119.937 119.600 -0.004 0.000 2.086 352 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 352 M C 2.304 178.593 176.300 -0.019 0.000 1.067 352 M CA 1.551 56.852 55.300 0.002 0.000 1.116 352 M CB -0.007 32.602 32.600 0.016 0.000 1.348 352 M HN -0.017 nan 8.290 nan 0.000 0.407 353 R N -0.500 119.980 120.500 -0.034 0.000 2.159 353 R HA -0.111 4.229 4.340 -0.000 0.000 0.237 353 R C 1.706 177.964 176.300 -0.070 0.000 1.131 353 R CA 1.883 57.949 56.100 -0.056 0.000 0.982 353 R CB -0.358 29.910 30.300 -0.052 0.000 0.868 353 R HN 0.596 nan 8.270 nan 0.000 0.453 354 T N -2.993 111.516 114.554 -0.075 0.000 3.044 354 T HA 0.058 4.408 4.350 -0.000 0.000 0.260 354 T C 0.259 174.851 174.700 -0.180 0.000 1.019 354 T CA -0.503 61.523 62.100 -0.122 0.000 0.921 354 T CB 0.238 69.044 68.868 -0.102 0.000 1.053 354 T HN -0.021 nan 8.240 nan 0.000 0.533 355 D N 1.387 121.724 120.400 -0.105 0.000 2.371 355 D HA -0.018 4.622 4.640 -0.000 0.000 0.256 355 D C 0.778 177.025 176.300 -0.088 0.000 1.193 355 D CA -0.167 53.785 54.000 -0.080 0.000 0.881 355 D CB 0.622 41.420 40.800 -0.004 0.000 1.143 355 D HN 0.254 nan 8.370 nan 0.000 0.473 356 H N 3.468 122.551 119.070 0.022 0.000 2.357 356 H HA -0.166 4.390 4.556 -0.000 0.000 0.296 356 H C 1.883 177.229 175.328 0.030 0.000 1.108 356 H CA 1.112 57.173 56.048 0.022 0.000 1.273 356 H CB 0.262 30.034 29.762 0.017 0.000 1.367 356 H HN 0.477 nan 8.280 nan 0.000 0.498 357 K N 1.449 121.937 120.400 0.146 0.000 1.985 357 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 357 K C 2.003 178.657 176.600 0.091 0.000 1.047 357 K CA 1.556 57.906 56.287 0.105 0.000 0.932 357 K CB -0.046 32.508 32.500 0.091 0.000 0.716 357 K HN 0.153 nan 8.250 nan 0.000 0.439 358 E N 1.213 121.460 120.200 0.079 0.000 2.085 358 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 358 E C 1.998 178.656 176.600 0.097 0.000 0.994 358 E CA 0.899 57.351 56.400 0.086 0.000 0.801 358 E CB -0.216 29.524 29.700 0.068 0.000 0.743 358 E HN 0.254 nan 8.360 nan 0.000 0.453 359 L N -0.307 120.953 121.223 0.062 0.000 2.046 359 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 359 L C 2.179 179.109 176.870 0.100 0.000 1.077 359 L CA 1.375 56.254 54.840 0.065 0.000 0.747 359 L CB -0.408 41.659 42.059 0.014 0.000 0.896 359 L HN 0.214 nan 8.230 nan 0.000 0.432 360 A N -0.516 122.356 122.820 0.087 0.000 1.930 360 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 360 A C 2.169 179.796 177.584 0.071 0.000 1.175 360 A CA 1.755 53.834 52.037 0.070 0.000 0.627 360 A CB -0.520 18.517 19.000 0.062 0.000 0.815 360 A HN 0.557 nan 8.150 nan 0.000 0.443 361 E N -1.064 119.190 120.200 0.090 0.000 2.085 361 E HA -0.286 4.063 4.350 -0.000 0.000 0.194 361 E C 2.013 178.659 176.600 0.076 0.000 0.994 361 E CA 1.327 57.779 56.400 0.086 0.000 0.801 361 E CB -0.355 29.407 29.700 0.102 0.000 0.743 361 E HN 0.790 nan 8.360 nan 0.000 0.453 362 H N 0.677 119.765 119.070 0.030 0.000 2.307 362 H HA -0.045 4.511 4.556 0.000 0.000 0.303 362 H C 2.302 177.633 175.328 0.005 0.000 1.073 362 H CA 1.490 57.548 56.048 0.017 0.000 1.338 362 H CB -0.068 29.704 29.762 0.016 0.000 1.389 362 H HN 0.222 nan 8.280 nan 0.000 0.503 363 L N 0.412 121.705 121.223 0.118 0.000 2.191 363 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 363 L C 2.970 179.830 176.870 -0.016 0.000 1.103 363 L CA 0.929 55.805 54.840 0.059 0.000 0.769 363 L CB -0.373 41.729 42.059 0.071 0.000 0.908 363 L HN 0.325 nan 8.230 nan 0.000 0.438 364 M N -0.464 119.126 119.600 -0.017 0.000 2.132 364 M HA -0.202 4.278 4.480 -0.000 0.000 0.263 364 M C 1.927 178.205 176.300 -0.037 0.000 1.065 364 M CA 1.712 57.001 55.300 -0.018 0.000 1.122 364 M CB 0.115 32.724 32.600 0.015 0.000 1.365 364 M HN 0.174 nan 8.290 nan 0.000 0.411 365 L N -0.062 121.109 121.223 -0.087 0.000 2.395 365 L HA -0.030 4.310 4.340 -0.000 0.000 0.218 365 L C 2.203 178.978 176.870 -0.158 0.000 1.130 365 L CA 0.836 55.602 54.840 -0.122 0.000 0.826 365 L CB -0.972 40.992 42.059 -0.159 0.000 0.941 365 L HN 0.181 nan 8.230 nan 0.000 0.451 366 V N -0.787 119.018 119.914 -0.180 0.000 2.379 366 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 366 V C 2.171 178.222 176.094 -0.073 0.000 1.044 366 V CA 1.332 63.550 62.300 -0.137 0.000 1.036 366 V CB -0.282 31.489 31.823 -0.086 0.000 0.664 366 V HN 0.332 nan 8.190 nan 0.000 0.453 367 D N -0.013 120.356 120.400 -0.051 0.000 2.123 367 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 367 D C 1.976 178.257 176.300 -0.032 0.000 0.992 367 D CA 1.107 55.089 54.000 -0.030 0.000 0.833 367 D CB -0.179 40.608 40.800 -0.022 0.000 0.954 367 D HN 0.275 nan 8.370 nan 0.000 0.455 368 L N 1.005 122.206 121.223 -0.037 0.000 2.046 368 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 368 L C 2.110 178.945 176.870 -0.058 0.000 1.077 368 L CA 1.716 56.533 54.840 -0.038 0.000 0.747 368 L CB -1.191 40.847 42.059 -0.035 0.000 0.896 368 L HN -0.049 nan 8.230 nan 0.000 0.432 369 A N -0.323 122.453 122.820 -0.072 0.000 1.902 369 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 369 A C 2.390 179.935 177.584 -0.065 0.000 1.181 369 A CA 1.613 53.603 52.037 -0.077 0.000 0.623 369 A CB -0.490 18.457 19.000 -0.088 0.000 0.818 369 A HN 0.497 nan 8.150 nan 0.000 0.443 370 R N -0.250 120.219 120.500 -0.052 0.000 2.120 370 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 370 R C 2.251 178.531 176.300 -0.034 0.000 1.123 370 R CA 1.320 57.399 56.100 -0.036 0.000 0.975 370 R CB -0.404 29.885 30.300 -0.020 0.000 0.866 370 R HN 0.728 nan 8.270 nan 0.000 0.446 371 N N 0.995 119.672 118.700 -0.038 0.000 2.135 371 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 371 N C 0.868 176.344 175.510 -0.057 0.000 1.027 371 N CA 1.523 54.550 53.050 -0.039 0.000 0.849 371 N CB 0.002 38.469 38.487 -0.032 0.000 1.002 371 N HN 0.063 nan 8.380 nan 0.000 0.425 372 D N 1.036 121.392 120.400 -0.072 0.000 2.117 372 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 372 D C 2.095 178.337 176.300 -0.097 0.000 0.987 372 D CA 0.607 54.547 54.000 -0.099 0.000 0.829 372 D CB -0.235 40.492 40.800 -0.121 0.000 0.961 372 D HN 0.325 nan 8.370 nan 0.000 0.460 373 L N 0.283 121.460 121.223 -0.077 0.000 2.131 373 L HA -0.018 4.321 4.340 -0.000 0.000 0.206 373 L C 2.458 179.298 176.870 -0.051 0.000 1.087 373 L CA 0.790 55.590 54.840 -0.066 0.000 0.767 373 L CB -0.449 41.580 42.059 -0.051 0.000 0.917 373 L HN -0.019 nan 8.230 nan 0.000 0.441 374 A N 0.338 123.134 122.820 -0.040 0.000 1.940 374 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 374 A C 2.404 179.963 177.584 -0.042 0.000 1.176 374 A CA 1.868 53.888 52.037 -0.028 0.000 0.631 374 A CB -0.635 18.352 19.000 -0.021 0.000 0.814 374 A HN 0.341 nan 8.150 nan 0.000 0.446 375 R N 0.034 120.500 120.500 -0.057 0.000 2.127 375 R HA -0.116 4.224 4.340 -0.000 0.000 0.238 375 R C 1.616 177.868 176.300 -0.079 0.000 1.134 375 R CA 1.925 57.984 56.100 -0.068 0.000 0.975 375 R CB -0.321 29.929 30.300 -0.083 0.000 0.865 375 R HN 0.761 nan 8.270 nan 0.000 0.447 376 I N -3.692 116.826 120.570 -0.087 0.000 4.154 376 I HA 0.304 4.474 4.170 -0.000 0.000 0.334 376 I C -0.232 175.841 176.117 -0.074 0.000 1.371 376 I CA -0.745 60.496 61.300 -0.098 0.000 1.110 376 I CB 0.517 38.437 38.000 -0.133 0.000 1.085 376 I HN -0.089 nan 8.210 nan 0.000 0.398 377 C N 1.197 120.469 119.300 -0.046 0.000 2.401 377 C HA 0.507 4.967 4.460 -0.000 0.000 0.356 377 C C 0.443 175.427 174.990 -0.010 0.000 1.192 377 C CA -0.340 58.668 59.018 -0.018 0.000 2.028 377 C CB 1.262 29.004 27.740 0.004 0.000 2.344 377 C HN 0.439 nan 8.230 nan 0.000 0.525 378 Q N 1.451 121.254 119.800 0.006 0.000 2.330 378 Q HA 0.425 4.765 4.340 -0.000 0.000 0.279 378 Q C 0.082 176.088 176.000 0.009 0.000 1.024 378 Q CA 0.302 56.108 55.803 0.005 0.000 0.900 378 Q CB 0.520 29.267 28.738 0.015 0.000 1.221 378 Q HN 0.847 nan 8.270 nan 0.000 0.396 379 A N 3.089 125.911 122.820 0.002 0.000 2.531 379 A HA 0.443 4.763 4.320 -0.000 0.000 0.236 379 A C 1.220 178.811 177.584 0.012 0.000 1.062 379 A CA 0.517 52.557 52.037 0.005 0.000 0.760 379 A CB -0.676 18.323 19.000 -0.002 0.000 0.995 379 A HN 1.648 nan 8.150 nan 0.000 0.501 380 G N 0.550 109.361 108.800 0.018 0.000 2.184 380 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 380 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 380 G C 1.076 175.997 174.900 0.034 0.000 0.975 380 G CA 1.390 46.501 45.100 0.019 0.000 0.642 380 G HN 2.120 nan 8.290 nan 0.000 0.536 381 S N -0.713 115.021 115.700 0.056 0.000 2.497 381 S HA 0.295 4.765 4.470 -0.000 0.000 0.221 381 S C 1.092 175.807 174.600 0.192 0.000 1.037 381 S CA 0.759 59.017 58.200 0.096 0.000 0.920 381 S CB 0.219 63.468 63.200 0.081 0.000 0.800 381 S HN 1.134 nan 8.310 nan 0.000 0.505 382 R N 1.176 121.763 120.500 0.144 0.000 2.441 382 R HA 0.580 4.920 4.340 -0.000 0.000 0.284 382 R C -0.567 175.877 176.300 0.240 0.000 1.070 382 R CA -0.511 55.679 56.100 0.149 0.000 1.047 382 R CB -0.109 30.218 30.300 0.046 0.000 1.016 382 R HN 0.579 nan 8.270 nan 0.000 0.477 383 Y N -2.003 118.301 120.300 0.005 0.000 2.713 383 Y HA 0.516 5.066 4.550 -0.000 0.000 0.335 383 Y C -1.587 174.317 175.900 0.006 0.000 1.222 383 Y CA -1.756 56.347 58.100 0.004 0.000 1.061 383 Y CB 0.874 39.338 38.460 0.007 0.000 1.314 383 Y HN 0.233 nan 8.280 nan 0.000 0.453 384 V N 2.883 122.792 119.914 -0.007 0.000 2.372 384 V HA 0.384 4.504 4.120 -0.000 0.000 0.261 384 V C 0.968 177.006 176.094 -0.093 0.000 1.055 384 V CA 0.499 62.741 62.300 -0.097 0.000 0.930 384 V CB 0.027 31.850 31.823 -0.001 0.000 1.031 384 V HN 1.055 nan 8.190 nan 0.000 0.479 385 A N 3.577 126.209 122.820 -0.315 0.000 1.968 385 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 385 A C 0.852 178.438 177.584 0.004 0.000 1.169 385 A CA 0.987 52.937 52.037 -0.145 0.000 0.638 385 A CB 0.027 18.889 19.000 -0.229 0.000 0.812 385 A HN 0.712 nan 8.150 nan 0.000 0.446 386 D N -0.438 119.942 120.400 -0.034 0.000 2.542 386 D HA 0.424 5.064 4.640 -0.000 0.000 0.252 386 D C -1.781 174.503 176.300 -0.027 0.000 1.222 386 D CA -0.266 53.725 54.000 -0.015 0.000 0.895 386 D CB 1.762 42.544 40.800 -0.029 0.000 1.207 386 D HN 0.134 nan 8.370 nan 0.000 0.558 387 L N 3.202 124.425 121.223 -0.000 0.000 2.287 387 L HA 0.258 4.597 4.340 -0.000 0.000 0.287 387 L C 0.270 177.128 176.870 -0.019 0.000 1.022 387 L CA -0.063 54.782 54.840 0.008 0.000 0.814 387 L CB 0.822 42.896 42.059 0.024 0.000 1.217 387 L HN 0.603 nan 8.230 nan 0.000 0.420 388 T N 1.380 115.907 114.554 -0.045 0.000 3.357 388 T HA -0.180 4.170 4.350 -0.000 0.000 0.422 388 T C 0.156 174.794 174.700 -0.103 0.000 0.768 388 T CA 0.797 62.797 62.100 -0.167 0.000 2.153 388 T CB -1.730 67.022 68.868 -0.193 0.000 1.688 388 T HN 0.665 nan 8.240 nan 0.000 0.659 389 K N 0.155 120.514 120.400 -0.067 0.000 2.177 389 K HA 0.775 5.095 4.320 -0.000 0.000 0.238 389 K C 0.227 176.827 176.600 0.001 0.000 1.015 389 K CA -0.901 55.375 56.287 -0.018 0.000 0.922 389 K CB 1.922 34.429 32.500 0.012 0.000 1.127 389 K HN 0.315 nan 8.250 nan 0.000 0.469 390 V N 1.932 121.866 119.914 0.034 0.000 2.531 390 V HA 0.205 4.325 4.120 -0.000 0.000 0.301 390 V C -0.919 175.234 176.094 0.098 0.000 1.034 390 V CA -0.881 61.458 62.300 0.065 0.000 0.865 390 V CB 1.946 33.789 31.823 0.032 0.000 0.995 390 V HN 0.618 nan 8.190 nan 0.000 0.424 391 D N 3.606 124.114 120.400 0.180 0.000 2.198 391 D HA 0.631 5.271 4.640 -0.000 0.000 0.247 391 D C -0.251 176.100 176.300 0.085 0.000 1.010 391 D CA -0.526 53.571 54.000 0.162 0.000 0.880 391 D CB 2.108 43.126 40.800 0.363 0.000 1.209 391 D HN 0.377 nan 8.370 nan 0.000 0.451 392 R N 1.119 121.492 120.500 -0.213 0.000 2.670 392 R HA 0.601 4.941 4.340 -0.000 0.000 0.289 392 R C -0.902 174.955 176.300 -0.738 0.000 0.965 392 R CA -0.689 55.254 56.100 -0.263 0.000 0.899 392 R CB 1.564 31.766 30.300 -0.164 0.000 1.173 392 R HN 0.401 nan 8.270 nan 0.000 0.456 393 Y N -1.203 119.095 120.300 -0.003 0.000 2.805 393 Y HA 0.137 4.687 4.550 0.000 0.000 0.323 393 Y C 1.637 177.494 175.900 -0.071 0.000 1.279 393 Y CA -0.677 57.423 58.100 -0.000 0.000 1.103 393 Y CB 1.229 39.726 38.460 0.062 0.000 1.324 393 Y HN 0.672 nan 8.280 nan 0.000 0.498 394 S N -0.435 115.301 115.700 0.061 0.000 2.383 394 S HA -0.177 4.293 4.470 -0.000 0.000 0.229 394 S C 0.977 175.260 174.600 -0.528 0.000 1.030 394 S CA 1.768 59.810 58.200 -0.262 0.000 1.002 394 S CB -0.444 62.577 63.200 -0.298 0.000 0.829 394 S HN 0.571 nan 8.310 nan 0.000 0.467 395 F N 1.207 121.197 119.950 0.068 0.000 2.767 395 F HA 0.463 4.990 4.527 0.000 0.000 0.323 395 F C 0.326 176.133 175.800 0.012 0.000 1.091 395 F CA -0.290 57.728 58.000 0.031 0.000 1.192 395 F CB 1.402 40.415 39.000 0.021 0.000 1.056 395 F HN 0.187 nan 8.300 nan 0.000 0.571 396 V N -0.989 119.006 119.914 0.135 0.000 3.114 396 V HA 0.681 4.801 4.120 -0.000 0.000 0.308 396 V C -0.620 175.452 176.094 -0.036 0.000 1.168 396 V CA -1.285 61.015 62.300 -0.001 0.000 1.015 396 V CB 2.034 33.763 31.823 -0.157 0.000 1.050 396 V HN 0.156 nan 8.190 nan 0.000 0.433 397 M N 1.671 121.203 119.600 -0.113 0.000 2.598 397 M HA 0.776 5.256 4.480 -0.000 0.000 0.317 397 M C -1.205 175.001 176.300 -0.157 0.000 1.179 397 M CA -0.433 54.835 55.300 -0.054 0.000 0.936 397 M CB 2.348 34.944 32.600 -0.008 0.000 1.713 397 M HN 0.801 nan 8.290 nan 0.000 0.460 398 H N 1.382 120.568 119.070 0.192 0.000 2.768 398 H HA 0.521 5.077 4.556 -0.000 0.000 0.371 398 H C -1.627 173.774 175.328 0.122 0.000 1.151 398 H CA -0.886 55.265 56.048 0.170 0.000 1.165 398 H CB 2.530 32.426 29.762 0.223 0.000 1.722 398 H HN 0.693 nan 8.280 nan 0.000 0.543 399 L N 3.599 124.962 121.223 0.232 0.000 2.281 399 L HA 0.340 4.680 4.340 -0.000 0.000 0.285 399 L C -0.263 176.676 176.870 0.115 0.000 1.074 399 L CA -0.287 54.577 54.840 0.039 0.000 0.817 399 L CB 0.243 42.245 42.059 -0.094 0.000 1.168 399 L HN 0.447 nan 8.230 nan 0.000 0.434 400 V N 1.604 121.556 119.914 0.063 0.000 3.078 400 V HA 0.915 5.035 4.120 -0.000 0.000 0.311 400 V C -0.374 175.725 176.094 0.008 0.000 1.138 400 V CA -0.375 61.995 62.300 0.115 0.000 1.007 400 V CB 2.030 33.869 31.823 0.027 0.000 1.045 400 V HN 0.765 nan 8.190 nan 0.000 0.432 401 S N 1.487 117.142 115.700 -0.074 0.000 2.661 401 S HA 0.808 5.278 4.470 -0.000 0.000 0.285 401 S C -1.007 173.372 174.600 -0.369 0.000 1.138 401 S CA -0.908 57.217 58.200 -0.125 0.000 0.855 401 S CB 2.117 65.366 63.200 0.081 0.000 1.136 401 S HN 1.048 nan 8.310 nan 0.000 0.484 402 R N 1.376 121.726 120.500 -0.249 0.000 2.514 402 R HA 0.652 4.992 4.340 -0.000 0.000 0.296 402 R C -2.086 174.132 176.300 -0.136 0.000 1.012 402 R CA -0.374 55.611 56.100 -0.193 0.000 0.897 402 R CB 1.074 31.316 30.300 -0.097 0.000 1.184 402 R HN 0.464 nan 8.270 nan 0.000 0.440 403 V N 5.230 125.076 119.914 -0.113 0.000 2.459 403 V HA 0.579 4.699 4.120 -0.000 0.000 0.295 403 V C 0.013 176.016 176.094 -0.152 0.000 1.029 403 V CA -0.677 61.530 62.300 -0.156 0.000 0.874 403 V CB 1.464 33.224 31.823 -0.106 0.000 0.985 403 V HN 0.609 nan 8.190 nan 0.000 0.438 404 V N 1.430 121.183 119.914 -0.268 0.000 3.102 404 V HA 1.154 5.273 4.120 -0.000 0.000 0.312 404 V C -0.049 175.969 176.094 -0.126 0.000 1.135 404 V CA -0.024 62.167 62.300 -0.180 0.000 1.022 404 V CB 1.813 33.522 31.823 -0.191 0.000 1.056 404 V HN 1.227 nan 8.190 nan 0.000 0.436 405 G N 0.263 109.061 108.800 -0.004 0.000 2.548 405 G HA2 0.601 4.561 3.960 -0.000 0.000 0.301 405 G HA3 0.601 4.561 3.960 -0.000 0.000 0.301 405 G C -1.119 173.832 174.900 0.085 0.000 1.349 405 G CA -0.223 44.914 45.100 0.061 0.000 0.792 405 G HN 0.940 nan 8.290 nan 0.000 0.481 406 T N 1.101 115.706 114.554 0.086 0.000 2.771 406 T HA 0.437 4.787 4.350 -0.000 0.000 0.281 406 T C -0.101 174.646 174.700 0.078 0.000 0.982 406 T CA -0.318 61.839 62.100 0.094 0.000 0.978 406 T CB 1.475 70.389 68.868 0.078 0.000 0.930 406 T HN 0.516 nan 8.240 nan 0.000 0.447 407 L N 4.188 125.482 121.223 0.118 0.000 2.513 407 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 407 L C 0.938 177.823 176.870 0.024 0.000 1.187 407 L CA 0.190 55.058 54.840 0.048 0.000 0.895 407 L CB -0.048 42.032 42.059 0.034 0.000 1.147 407 L HN 0.541 nan 8.230 nan 0.000 0.483 408 R N 3.652 124.139 120.500 -0.021 0.000 2.583 408 R HA -0.030 4.310 4.340 -0.000 0.000 0.274 408 R C 1.330 177.617 176.300 -0.021 0.000 0.998 408 R CA 0.545 56.630 56.100 -0.025 0.000 1.081 408 R CB 0.650 30.918 30.300 -0.054 0.000 0.940 408 R HN 0.962 nan 8.270 nan 0.000 0.413 409 A N 3.593 126.410 122.820 -0.006 0.000 1.997 409 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 409 A C 1.223 178.799 177.584 -0.013 0.000 1.172 409 A CA 2.100 54.139 52.037 0.003 0.000 0.645 409 A CB -0.322 18.680 19.000 0.005 0.000 0.813 409 A HN 0.897 nan 8.150 nan 0.000 0.454 410 D N -1.329 119.044 120.400 -0.046 0.000 2.328 410 D HA 0.234 4.874 4.640 -0.000 0.000 0.221 410 D C 0.368 176.587 176.300 -0.136 0.000 1.072 410 D CA -0.004 53.952 54.000 -0.072 0.000 0.850 410 D CB -0.227 40.522 40.800 -0.084 0.000 0.922 410 D HN 0.433 nan 8.370 nan 0.000 0.516 411 L N 0.497 121.646 121.223 -0.123 0.000 2.303 411 L HA 0.434 4.774 4.340 -0.000 0.000 0.266 411 L C -0.300 176.571 176.870 0.002 0.000 1.011 411 L CA -1.185 53.560 54.840 -0.158 0.000 0.818 411 L CB 1.806 43.743 42.059 -0.204 0.000 1.326 411 L HN -0.118 nan 8.230 nan 0.000 0.435 412 D N -0.854 119.652 120.400 0.176 0.000 2.497 412 D HA 0.170 4.810 4.640 -0.000 0.000 0.243 412 D C 0.314 176.467 176.300 -0.246 0.000 1.039 412 D CA -0.730 53.246 54.000 -0.039 0.000 1.052 412 D CB 1.480 42.274 40.800 -0.009 0.000 1.344 412 D HN 0.132 nan 8.370 nan 0.000 0.553 413 V N 0.046 119.702 119.914 -0.429 0.000 2.913 413 V HA -0.095 4.025 4.120 -0.000 0.000 0.260 413 V C 1.802 177.615 176.094 -0.469 0.000 1.098 413 V CA 1.313 63.287 62.300 -0.543 0.000 1.121 413 V CB -0.802 30.694 31.823 -0.545 0.000 0.714 413 V HN 0.511 nan 8.190 nan 0.000 0.487 414 L N -1.130 119.789 121.223 -0.507 0.000 2.179 414 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 414 L C 2.515 178.905 176.870 -0.800 0.000 1.096 414 L CA 1.034 55.468 54.840 -0.677 0.000 0.779 414 L CB -0.706 40.988 42.059 -0.609 0.000 0.922 414 L HN 0.403 nan 8.230 nan 0.000 0.443 415 H N -0.258 118.519 119.070 -0.488 0.000 2.389 415 H HA -0.026 4.530 4.556 -0.000 0.000 0.299 415 H C 2.281 177.317 175.328 -0.487 0.000 1.081 415 H CA 1.339 57.111 56.048 -0.459 0.000 1.345 415 H CB 0.054 29.637 29.762 -0.299 0.000 1.393 415 H HN 0.337 nan 8.280 nan 0.000 0.520 416 A N 0.700 123.322 122.820 -0.330 0.000 1.902 416 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 416 A C 2.285 179.608 177.584 -0.435 0.000 1.181 416 A CA 1.414 53.246 52.037 -0.341 0.000 0.623 416 A CB -1.011 17.787 19.000 -0.337 0.000 0.818 416 A HN 0.426 nan 8.150 nan 0.000 0.443 417 Y N 0.157 120.082 120.300 -0.625 0.000 2.145 417 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 417 Y C 2.669 178.107 175.900 -0.771 0.000 1.145 417 Y CA 2.382 60.052 58.100 -0.716 0.000 1.148 417 Y CB -0.379 37.500 38.460 -0.969 0.000 0.981 417 Y HN 0.483 nan 8.280 nan 0.000 0.507 418 Q N -0.160 119.055 119.800 -0.974 0.000 2.061 418 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 418 Q C 2.345 177.958 176.000 -0.645 0.000 0.984 418 Q CA 1.769 56.971 55.803 -1.001 0.000 0.846 418 Q CB -0.387 27.608 28.738 -1.239 0.000 0.902 418 Q HN 0.586 nan 8.270 nan 0.000 0.421 419 A N -0.049 122.476 122.820 -0.492 0.000 1.902 419 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 419 A C 2.149 179.528 177.584 -0.342 0.000 1.181 419 A CA 1.500 53.338 52.037 -0.332 0.000 0.623 419 A CB -0.774 18.073 19.000 -0.255 0.000 0.818 419 A HN 0.626 nan 8.150 nan 0.000 0.443 420 C N -0.178 118.864 119.300 -0.431 0.000 2.576 420 C HA 0.280 4.740 4.460 -0.000 0.000 0.267 420 C C 1.181 175.875 174.990 -0.493 0.000 1.364 420 C CA -0.603 58.167 59.018 -0.413 0.000 1.723 420 C CB -2.106 25.386 27.740 -0.413 0.000 1.778 420 C HN 0.561 nan 8.230 nan 0.000 0.572 421 M N 3.019 122.279 119.600 -0.567 0.000 2.487 421 M HA -0.057 4.423 4.480 -0.000 0.000 0.398 421 M C -0.533 175.513 176.300 -0.423 0.000 1.685 421 M CA 1.250 56.216 55.300 -0.557 0.000 0.988 421 M CB -0.386 31.950 32.600 -0.440 0.000 2.129 421 M HN 0.504 nan 8.290 nan 0.000 0.485 422 N N 2.505 120.944 118.700 -0.435 0.000 2.883 422 N HA -0.109 4.631 4.740 -0.000 0.000 0.277 422 N C -0.845 174.532 175.510 -0.221 0.000 1.707 422 N CA 0.380 53.236 53.050 -0.323 0.000 1.494 422 N CB -0.339 37.846 38.487 -0.504 0.000 0.821 422 N HN 0.570 nan 8.380 nan 0.000 0.482 423 M N 1.086 120.581 119.600 -0.175 0.000 2.250 423 M HA 0.065 4.545 4.480 -0.000 0.000 0.337 423 M C 2.057 178.304 176.300 -0.088 0.000 1.161 423 M CA 0.897 56.117 55.300 -0.133 0.000 1.088 423 M CB -0.267 32.272 32.600 -0.103 0.000 1.639 423 M HN 0.718 nan 8.290 nan 0.000 0.447 424 G N 1.613 110.363 108.800 -0.083 0.000 2.462 424 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 424 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 424 G C 1.287 176.165 174.900 -0.037 0.000 1.121 424 G CA 1.412 46.479 45.100 -0.055 0.000 0.758 424 G HN 0.835 nan 8.290 nan 0.000 0.559 425 T N -1.273 113.252 114.554 -0.047 0.000 3.007 425 T HA 0.101 4.450 4.350 -0.000 0.000 0.270 425 T C 1.734 176.425 174.700 -0.015 0.000 1.107 425 T CA 0.515 62.594 62.100 -0.034 0.000 1.118 425 T CB 0.040 68.880 68.868 -0.046 0.000 0.889 425 T HN 0.083 nan 8.240 nan 0.000 0.506 426 L N 0.980 122.194 121.223 -0.015 0.000 2.808 426 L HA 0.404 4.744 4.340 -0.000 0.000 0.246 426 L C 1.596 178.500 176.870 0.056 0.000 1.153 426 L CA 0.497 55.332 54.840 -0.008 0.000 0.956 426 L CB -0.189 41.828 42.059 -0.069 0.000 1.270 426 L HN 0.533 nan 8.230 nan 0.000 0.528 427 S N -1.792 113.941 115.700 0.054 0.000 3.829 427 S HA 0.693 5.163 4.470 -0.000 0.000 0.201 427 S C 0.760 175.383 174.600 0.038 0.000 1.005 427 S CA 0.357 58.602 58.200 0.075 0.000 0.935 427 S CB 1.859 65.101 63.200 0.071 0.000 1.181 427 S HN 0.256 nan 8.310 nan 0.000 0.622 428 G N 0.649 109.458 108.800 0.015 0.000 2.350 428 G HA2 0.559 4.519 3.960 -0.000 0.000 0.282 428 G HA3 0.559 4.519 3.960 -0.000 0.000 0.282 428 G C -1.835 173.066 174.900 0.001 0.000 1.314 428 G CA -0.203 44.904 45.100 0.011 0.000 0.915 428 G HN 1.418 nan 8.290 nan 0.000 0.499 429 A N -0.033 122.790 122.820 0.006 0.000 2.427 429 A HA 0.892 5.212 4.320 -0.000 0.000 0.298 429 A C -3.131 174.365 177.584 -0.146 0.000 1.036 429 A CA -1.262 50.784 52.037 0.016 0.000 0.701 429 A CB 2.038 21.131 19.000 0.156 0.000 1.250 429 A HN 0.478 nan 8.150 nan 0.000 0.412 430 P HA 0.120 nan 4.420 nan 0.000 0.271 430 P C 0.758 178.008 177.300 -0.084 0.000 1.216 430 P CA -0.193 62.843 63.100 -0.106 0.000 0.776 430 P CB 0.889 32.505 31.700 -0.139 0.000 0.881 431 K N 2.253 122.622 120.400 -0.051 0.000 2.032 431 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 431 K C 1.454 178.024 176.600 -0.050 0.000 1.048 431 K CA 1.781 58.038 56.287 -0.049 0.000 0.927 431 K CB -0.475 31.989 32.500 -0.059 0.000 0.712 431 K HN 0.126 nan 8.250 nan 0.000 0.441 432 V N 1.126 121.008 119.914 -0.053 0.000 2.295 432 V HA -0.229 3.890 4.120 -0.000 0.000 0.246 432 V C 2.521 178.589 176.094 -0.042 0.000 1.049 432 V CA 2.127 64.400 62.300 -0.045 0.000 1.024 432 V CB -0.564 31.234 31.823 -0.041 0.000 0.648 432 V HN 0.364 nan 8.190 nan 0.000 0.447 433 R N 0.774 121.237 120.500 -0.062 0.000 2.120 433 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 433 R C 2.090 178.355 176.300 -0.059 0.000 1.123 433 R CA 1.701 57.760 56.100 -0.068 0.000 0.975 433 R CB -0.804 29.434 30.300 -0.103 0.000 0.866 433 R HN 0.475 nan 8.270 nan 0.000 0.446 434 A N 0.134 122.920 122.820 -0.058 0.000 1.898 434 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 434 A C 2.189 179.775 177.584 0.004 0.000 1.181 434 A CA 1.602 53.619 52.037 -0.034 0.000 0.620 434 A CB -0.415 18.570 19.000 -0.027 0.000 0.819 434 A HN 0.374 nan 8.150 nan 0.000 0.442 435 M N -0.896 118.717 119.600 0.020 0.000 2.159 435 M HA -0.214 4.266 4.480 -0.000 0.000 0.263 435 M C 2.385 178.715 176.300 0.051 0.000 1.063 435 M CA 1.528 56.872 55.300 0.073 0.000 1.110 435 M CB -0.458 32.178 32.600 0.061 0.000 1.374 435 M HN 0.502 nan 8.290 nan 0.000 0.411 436 Q N 0.409 120.217 119.800 0.013 0.000 2.050 436 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 436 Q C 2.119 178.118 176.000 -0.002 0.000 0.980 436 Q CA 1.231 57.036 55.803 0.003 0.000 0.840 436 Q CB -0.178 28.551 28.738 -0.014 0.000 0.898 436 Q HN 0.527 nan 8.270 nan 0.000 0.424 437 L N 0.239 121.454 121.223 -0.013 0.000 2.046 437 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 437 L C 2.344 179.205 176.870 -0.016 0.000 1.077 437 L CA 0.992 55.819 54.840 -0.022 0.000 0.747 437 L CB -0.471 41.568 42.059 -0.034 0.000 0.896 437 L HN 0.279 nan 8.230 nan 0.000 0.432 438 I N 0.080 120.650 120.570 -0.000 0.000 2.163 438 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 438 I C 2.845 178.960 176.117 -0.004 0.000 1.085 438 I CA 1.326 62.626 61.300 -0.000 0.000 1.347 438 I CB -0.456 37.559 38.000 0.025 0.000 1.044 438 I HN 0.214 nan 8.210 nan 0.000 0.408 439 A N 0.698 123.529 122.820 0.018 0.000 1.883 439 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 439 A C 2.553 180.133 177.584 -0.007 0.000 1.186 439 A CA 2.018 54.063 52.037 0.014 0.000 0.624 439 A CB -0.958 18.062 19.000 0.033 0.000 0.822 439 A HN 0.451 nan 8.150 nan 0.000 0.444 440 A N -0.416 122.397 122.820 -0.010 0.000 1.883 440 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 440 A C 2.192 179.760 177.584 -0.027 0.000 1.186 440 A CA 1.765 53.790 52.037 -0.019 0.000 0.624 440 A CB -0.555 18.432 19.000 -0.022 0.000 0.822 440 A HN 0.558 nan 8.150 nan 0.000 0.444 441 L N -0.496 120.708 121.223 -0.033 0.000 2.023 441 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 441 L C 2.472 179.315 176.870 -0.045 0.000 1.073 441 L CA 1.986 56.800 54.840 -0.043 0.000 0.745 441 L CB -1.022 41.005 42.059 -0.055 0.000 0.900 441 L HN 0.411 nan 8.230 nan 0.000 0.435 442 R N -0.496 119.978 120.500 -0.044 0.000 2.075 442 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 442 R C 1.537 177.807 176.300 -0.050 0.000 1.126 442 R CA 1.151 57.219 56.100 -0.053 0.000 0.963 442 R CB -0.256 30.006 30.300 -0.064 0.000 0.858 442 R HN 0.513 nan 8.270 nan 0.000 0.435 443 S N -0.678 114.998 115.700 -0.039 0.000 2.929 443 S HA -0.174 4.296 4.470 -0.000 0.000 0.271 443 S C -0.063 174.515 174.600 -0.037 0.000 1.295 443 S CA 1.335 59.515 58.200 -0.034 0.000 1.277 443 S CB -1.338 61.842 63.200 -0.033 0.000 1.557 443 S HN 0.690 nan 8.310 nan 0.000 0.666 444 T N -0.800 113.724 114.554 -0.049 0.000 2.900 444 T HA 0.695 5.045 4.350 -0.000 0.000 0.295 444 T C -0.289 174.375 174.700 -0.060 0.000 1.044 444 T CA -0.912 61.155 62.100 -0.055 0.000 0.995 444 T CB 1.588 70.414 68.868 -0.070 0.000 1.072 444 T HN 0.440 nan 8.240 nan 0.000 0.473 445 R N 1.030 121.498 120.500 -0.052 0.000 2.619 445 R HA 0.087 4.427 4.340 -0.000 0.000 0.268 445 R C 1.521 177.768 176.300 -0.088 0.000 0.990 445 R CA 0.097 56.170 56.100 -0.045 0.000 1.092 445 R CB 0.381 30.651 30.300 -0.049 0.000 0.935 445 R HN 0.643 nan 8.270 nan 0.000 0.415 446 R N 1.586 122.039 120.500 -0.078 0.000 2.200 446 R HA 0.013 4.353 4.340 -0.000 0.000 0.208 446 R C 1.294 177.511 176.300 -0.138 0.000 1.033 446 R CA 0.713 56.731 56.100 -0.138 0.000 1.000 446 R CB 0.063 30.162 30.300 -0.336 0.000 0.906 446 R HN 1.016 nan 8.270 nan 0.000 0.462 447 G N 0.382 109.106 108.800 -0.125 0.000 2.556 447 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.283 447 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.283 447 G C 0.768 175.563 174.900 -0.175 0.000 1.177 447 G CA 0.538 45.492 45.100 -0.243 0.000 0.978 447 G HN 0.381 nan 8.290 nan 0.000 0.554 448 S N -0.886 114.632 115.700 -0.304 0.000 2.453 448 S HA 0.069 4.539 4.470 -0.000 0.000 0.231 448 S C 1.187 175.766 174.600 -0.034 0.000 1.005 448 S CA 1.450 59.554 58.200 -0.160 0.000 0.949 448 S CB -0.099 62.996 63.200 -0.175 0.000 0.774 448 S HN 1.433 nan 8.310 nan 0.000 0.510 449 Y N 3.384 123.589 120.300 -0.158 0.000 2.605 449 Y HA 0.406 4.956 4.550 -0.000 0.000 0.336 449 Y C 1.335 177.193 175.900 -0.069 0.000 1.111 449 Y CA 0.261 58.293 58.100 -0.114 0.000 1.422 449 Y CB -0.346 38.010 38.460 -0.173 0.000 1.193 449 Y HN 0.377 nan 8.280 nan 0.000 0.526 450 G N 3.292 111.729 108.800 -0.606 0.000 2.175 450 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 450 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 450 G C 0.564 175.496 174.900 0.053 0.000 0.982 450 G CA 0.089 44.962 45.100 -0.379 0.000 0.641 450 G HN 1.204 nan 8.290 nan 0.000 0.527 451 G N -0.669 108.161 108.800 0.050 0.000 2.531 451 G HA2 0.680 4.640 3.960 -0.000 0.000 0.253 451 G HA3 0.680 4.640 3.960 -0.000 0.000 0.253 451 G C -0.235 174.715 174.900 0.083 0.000 1.439 451 G CA -0.592 44.581 45.100 0.121 0.000 1.056 451 G HN 0.471 nan 8.290 nan 0.000 0.555 452 R N -1.954 118.647 120.500 0.168 0.000 2.574 452 R HA 0.552 4.892 4.340 -0.000 0.000 0.288 452 R C -1.205 175.098 176.300 0.006 0.000 1.004 452 R CA -0.561 55.609 56.100 0.117 0.000 0.895 452 R CB 1.991 32.485 30.300 0.324 0.000 1.191 452 R HN 0.425 nan 8.270 nan 0.000 0.444 453 V N 2.712 122.504 119.914 -0.203 0.000 2.513 453 V HA 0.987 5.107 4.120 -0.000 0.000 0.299 453 V C -0.090 175.910 176.094 -0.158 0.000 1.035 453 V CA 0.475 62.581 62.300 -0.323 0.000 0.889 453 V CB 1.258 32.637 31.823 -0.740 0.000 0.988 453 V HN 0.875 nan 8.190 nan 0.000 0.440 454 G N 4.786 113.568 108.800 -0.030 0.000 2.512 454 G HA2 0.338 4.298 3.960 -0.000 0.000 0.181 454 G HA3 0.338 4.298 3.960 -0.000 0.000 0.181 454 G C -1.333 173.755 174.900 0.312 0.000 1.173 454 G CA 0.158 45.367 45.100 0.182 0.000 0.988 454 G HN 1.792 nan 8.290 nan 0.000 0.485 455 Y N -1.035 119.386 120.300 0.201 0.000 2.656 455 Y HA 0.820 5.370 4.550 -0.000 0.000 0.334 455 Y C -1.356 174.701 175.900 0.262 0.000 1.179 455 Y CA -1.938 56.255 58.100 0.154 0.000 1.050 455 Y CB 1.332 39.833 38.460 0.068 0.000 1.308 455 Y HN 1.347 nan 8.280 nan 0.000 0.456 456 F N -0.673 119.288 119.950 0.017 0.000 2.631 456 F HA 0.899 5.426 4.527 -0.000 0.000 0.308 456 F C -0.899 174.959 175.800 0.097 0.000 1.097 456 F CA -0.583 57.386 58.000 -0.053 0.000 0.952 456 F CB 1.613 40.563 39.000 -0.083 0.000 1.307 456 F HN 0.826 nan 8.300 nan 0.000 0.450 457 T N -1.737 112.940 114.554 0.206 0.000 2.888 457 T HA 0.697 5.047 4.350 -0.000 0.000 0.288 457 T C 0.621 175.424 174.700 0.173 0.000 1.063 457 T CA -0.341 61.848 62.100 0.148 0.000 1.010 457 T CB 1.501 70.478 68.868 0.182 0.000 1.214 457 T HN 1.219 nan 8.240 nan 0.000 0.533 458 A N 0.501 123.401 122.820 0.135 0.000 2.121 458 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 458 A C 2.133 179.790 177.584 0.121 0.000 1.154 458 A CA 1.383 53.499 52.037 0.131 0.000 0.679 458 A CB -1.188 17.882 19.000 0.116 0.000 0.795 458 A HN 1.397 nan 8.150 nan 0.000 0.458 459 V N -3.903 116.082 119.914 0.118 0.000 3.510 459 V HA 0.152 4.272 4.120 -0.000 0.000 0.270 459 V C 1.291 177.459 176.094 0.124 0.000 1.201 459 V CA 1.348 63.709 62.300 0.102 0.000 1.166 459 V CB -1.089 30.785 31.823 0.085 0.000 0.825 459 V HN 0.706 nan 8.190 nan 0.000 0.484 460 R N -0.563 120.036 120.500 0.166 0.000 3.224 460 R HA -0.162 4.178 4.340 -0.000 0.000 0.473 460 R C 0.080 176.561 176.300 0.302 0.000 0.599 460 R CA 1.035 57.271 56.100 0.226 0.000 1.436 460 R CB -1.888 28.560 30.300 0.247 0.000 2.091 460 R HN 0.628 nan 8.270 nan 0.000 0.386 461 N N 1.397 120.217 118.700 0.200 0.000 2.453 461 N HA 0.307 5.047 4.740 -0.000 0.000 0.253 461 N C -0.181 175.432 175.510 0.171 0.000 1.252 461 N CA 0.937 54.084 53.050 0.161 0.000 0.917 461 N CB 1.053 39.589 38.487 0.081 0.000 1.117 461 N HN 0.354 nan 8.380 nan 0.000 0.442 462 L N 0.646 121.942 121.223 0.121 0.000 2.505 462 L HA 0.416 4.756 4.340 -0.000 0.000 0.259 462 L C -1.865 174.963 176.870 -0.069 0.000 0.952 462 L CA -0.618 54.228 54.840 0.009 0.000 0.840 462 L CB 2.388 44.511 42.059 0.107 0.000 1.358 462 L HN 0.387 nan 8.230 nan 0.000 0.409 463 D N 1.908 122.167 120.400 -0.235 0.000 2.891 463 D HA 0.634 5.274 4.640 -0.000 0.000 0.224 463 D C -1.270 175.078 176.300 0.080 0.000 1.321 463 D CA 0.239 54.230 54.000 -0.015 0.000 0.929 463 D CB 2.169 42.998 40.800 0.049 0.000 1.551 463 D HN 0.731 nan 8.370 nan 0.000 0.574 464 T N -0.352 114.274 114.554 0.121 0.000 2.841 464 T HA 0.751 5.101 4.350 -0.000 0.000 0.296 464 T C -0.139 174.351 174.700 -0.350 0.000 1.166 464 T CA -0.755 61.356 62.100 0.018 0.000 1.007 464 T CB 0.980 69.901 68.868 0.088 0.000 1.253 464 T HN 0.712 nan 8.240 nan 0.000 0.511 465 C N 0.196 119.209 119.300 -0.479 0.000 2.898 465 C HA 0.835 5.295 4.460 -0.000 0.000 0.304 465 C C -0.043 174.778 174.990 -0.281 0.000 1.237 465 C CA -1.325 57.289 59.018 -0.673 0.000 1.529 465 C CB -0.221 26.937 27.740 -0.971 0.000 2.021 465 C HN 1.044 nan 8.230 nan 0.000 0.474 466 I N 2.024 122.483 120.570 -0.186 0.000 2.634 466 I HA 0.178 4.348 4.170 -0.000 0.000 0.284 466 I C 0.205 176.291 176.117 -0.053 0.000 1.124 466 I CA -0.039 61.204 61.300 -0.095 0.000 1.417 466 I CB 1.166 39.119 38.000 -0.078 0.000 1.396 466 I HN 0.551 nan 8.210 nan 0.000 0.571 467 V N 8.001 127.882 119.914 -0.055 0.000 2.326 467 V HA 0.201 4.321 4.120 -0.000 0.000 0.249 467 V C 0.260 176.408 176.094 0.090 0.000 1.114 467 V CA 0.264 62.589 62.300 0.042 0.000 1.028 467 V CB -1.179 30.637 31.823 -0.013 0.000 1.170 467 V HN 0.475 nan 8.190 nan 0.000 0.494 468 I N 1.376 122.048 120.570 0.170 0.000 3.191 468 I HA 0.730 4.900 4.170 -0.000 0.000 0.313 468 I C -0.022 176.202 176.117 0.179 0.000 1.193 468 I CA -1.477 59.928 61.300 0.176 0.000 0.968 468 I CB 2.031 40.090 38.000 0.098 0.000 1.262 468 I HN 0.245 nan 8.210 nan 0.000 0.456 469 R N 0.330 120.920 120.500 0.149 0.000 3.333 469 R HA -0.134 4.206 4.340 -0.000 0.000 0.256 469 R C -0.491 175.854 176.300 0.075 0.000 1.010 469 R CA 0.778 56.936 56.100 0.097 0.000 0.680 469 R CB -2.686 27.657 30.300 0.072 0.000 1.102 469 R HN 0.894 nan 8.270 nan 0.000 0.440 470 S N -1.631 114.112 115.700 0.071 0.000 2.627 470 S HA 0.863 5.333 4.470 -0.000 0.000 0.283 470 S C -1.312 173.205 174.600 -0.139 0.000 1.127 470 S CA -0.025 58.163 58.200 -0.021 0.000 0.863 470 S CB 2.123 65.423 63.200 0.167 0.000 1.121 470 S HN 0.523 nan 8.310 nan 0.000 0.479 471 A N 2.331 124.882 122.820 -0.449 0.000 2.311 471 A HA 0.627 4.947 4.320 -0.000 0.000 0.306 471 A C -1.575 175.805 177.584 -0.341 0.000 1.189 471 A CA -0.392 51.342 52.037 -0.504 0.000 0.791 471 A CB 0.377 18.777 19.000 -1.001 0.000 1.172 471 A HN 0.841 nan 8.150 nan 0.000 0.481 472 Y N 3.560 123.737 120.300 -0.205 0.000 2.385 472 Y HA 0.525 5.074 4.550 -0.000 0.000 0.341 472 Y C -0.809 175.051 175.900 -0.067 0.000 0.965 472 Y CA -0.490 57.532 58.100 -0.130 0.000 1.180 472 Y CB 1.118 39.491 38.460 -0.145 0.000 1.139 472 Y HN 0.414 nan 8.280 nan 0.000 0.502 473 V N 6.614 126.259 119.914 -0.448 0.000 2.384 473 V HA 0.364 4.484 4.120 -0.000 0.000 0.287 473 V C -0.544 175.363 176.094 -0.312 0.000 1.020 473 V CA -0.862 61.297 62.300 -0.235 0.000 0.850 473 V CB 1.409 33.239 31.823 0.012 0.000 0.987 473 V HN 0.733 nan 8.190 nan 0.000 0.436 474 E N 3.045 123.136 120.200 -0.182 0.000 2.216 474 E HA 0.343 4.693 4.350 -0.000 0.000 0.260 474 E C -1.116 175.498 176.600 0.023 0.000 0.880 474 E CA -0.559 55.792 56.400 -0.083 0.000 0.765 474 E CB 1.043 30.725 29.700 -0.030 0.000 1.174 474 E HN 0.778 nan 8.360 nan 0.000 0.417 475 D N 3.224 123.650 120.400 0.044 0.000 2.737 475 D HA -0.188 4.452 4.640 -0.000 0.000 0.238 475 D C 0.722 177.082 176.300 0.101 0.000 1.157 475 D CA 1.440 55.482 54.000 0.070 0.000 0.694 475 D CB -1.233 39.611 40.800 0.073 0.000 1.021 475 D HN 1.005 nan 8.370 nan 0.000 0.420 476 G N 0.365 109.226 108.800 0.102 0.000 2.200 476 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.267 476 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.267 476 G C 0.117 175.111 174.900 0.157 0.000 0.993 476 G CA 1.107 46.279 45.100 0.120 0.000 0.701 476 G HN 0.892 nan 8.290 nan 0.000 0.524 477 H N -0.734 118.356 119.070 0.033 0.000 2.529 477 H HA 0.658 5.214 4.556 -0.000 0.000 0.348 477 H C -0.136 175.209 175.328 0.030 0.000 1.079 477 H CA -1.209 54.856 56.048 0.027 0.000 1.198 477 H CB 1.010 30.786 29.762 0.023 0.000 1.521 477 H HN 0.182 nan 8.280 nan 0.000 0.514 478 R N 4.115 124.843 120.500 0.380 0.000 2.445 478 R HA 0.255 4.595 4.340 -0.000 0.000 0.308 478 R C -1.222 175.154 176.300 0.127 0.000 0.961 478 R CA -0.551 55.649 56.100 0.167 0.000 0.862 478 R CB 1.724 32.112 30.300 0.146 0.000 1.144 478 R HN 0.640 nan 8.270 nan 0.000 0.447 479 T N 3.674 118.253 114.554 0.043 0.000 2.749 479 T HA 0.272 4.622 4.350 -0.000 0.000 0.287 479 T C -0.541 174.168 174.700 0.014 0.000 0.970 479 T CA -0.318 61.794 62.100 0.019 0.000 0.980 479 T CB 1.217 70.081 68.868 -0.006 0.000 0.924 479 T HN 0.279 nan 8.240 nan 0.000 0.456 480 V N 5.055 124.982 119.914 0.020 0.000 2.266 480 V HA 0.322 4.442 4.120 -0.000 0.000 0.271 480 V C 0.216 176.317 176.094 0.012 0.000 1.032 480 V CA -0.761 61.552 62.300 0.022 0.000 0.806 480 V CB 0.934 32.782 31.823 0.042 0.000 1.052 480 V HN 0.800 nan 8.190 nan 0.000 0.449 481 Q N 2.916 122.640 119.800 -0.128 0.000 2.261 481 Q HA 0.728 5.068 4.340 -0.000 0.000 0.252 481 Q C -0.305 175.471 176.000 -0.374 0.000 0.915 481 Q CA -0.147 55.407 55.803 -0.415 0.000 0.915 481 Q CB 1.543 29.802 28.738 -0.797 0.000 1.204 481 Q HN 0.880 nan 8.270 nan 0.000 0.421 482 A N 2.363 124.976 122.820 -0.345 0.000 2.549 482 A HA 0.848 5.168 4.320 -0.000 0.000 0.297 482 A C -0.852 176.696 177.584 -0.060 0.000 1.061 482 A CA -0.026 51.977 52.037 -0.057 0.000 0.690 482 A CB 1.867 20.933 19.000 0.109 0.000 1.287 482 A HN 0.818 nan 8.150 nan 0.000 0.402 483 G N -0.788 108.093 108.800 0.134 0.000 3.022 483 G HA2 0.968 4.928 3.960 -0.000 0.000 0.284 483 G HA3 0.968 4.928 3.960 -0.000 0.000 0.284 483 G C -0.765 174.241 174.900 0.177 0.000 1.375 483 G CA -0.083 45.118 45.100 0.168 0.000 0.902 483 G HN 2.127 nan 8.290 nan 0.000 0.538 484 A N -1.491 121.467 122.820 0.229 0.000 2.589 484 A HA 0.750 5.070 4.320 -0.000 0.000 0.296 484 A C -0.061 177.626 177.584 0.172 0.000 1.062 484 A CA 0.055 52.209 52.037 0.195 0.000 0.686 484 A CB 1.293 20.419 19.000 0.211 0.000 1.282 484 A HN 1.913 nan 8.150 nan 0.000 0.404 485 G N 0.626 109.505 108.800 0.132 0.000 2.367 485 G HA2 0.486 4.446 3.960 -0.000 0.000 0.280 485 G HA3 0.486 4.446 3.960 -0.000 0.000 0.280 485 G C -0.283 174.676 174.900 0.097 0.000 1.175 485 G CA 0.011 45.172 45.100 0.103 0.000 1.001 485 G HN 0.917 nan 8.290 nan 0.000 0.437 486 V N 4.285 124.245 119.914 0.077 0.000 2.406 486 V HA 0.398 4.518 4.120 -0.000 0.000 0.272 486 V C 0.640 176.768 176.094 0.057 0.000 1.043 486 V CA -0.377 61.958 62.300 0.058 0.000 0.915 486 V CB 0.791 32.625 31.823 0.018 0.000 0.988 486 V HN 0.707 nan 8.190 nan 0.000 0.466 487 V N 2.564 122.516 119.914 0.063 0.000 3.158 487 V HA 0.475 4.595 4.120 -0.000 0.000 0.315 487 V C 1.155 177.284 176.094 0.060 0.000 1.148 487 V CA -0.563 61.780 62.300 0.071 0.000 1.042 487 V CB 1.544 33.414 31.823 0.079 0.000 1.101 487 V HN 0.684 nan 8.190 nan 0.000 0.448 488 Q N 0.001 119.840 119.800 0.065 0.000 2.118 488 Q HA -0.260 4.080 4.340 -0.000 0.000 0.211 488 Q C 1.136 177.161 176.000 0.042 0.000 0.998 488 Q CA 2.733 58.567 55.803 0.051 0.000 0.872 488 Q CB -0.103 28.667 28.738 0.053 0.000 0.925 488 Q HN 0.910 nan 8.270 nan 0.000 0.414 489 D N 0.530 120.959 120.400 0.048 0.000 2.325 489 D HA 0.093 4.733 4.640 -0.000 0.000 0.234 489 D C -0.271 176.060 176.300 0.052 0.000 1.122 489 D CA 0.095 54.123 54.000 0.047 0.000 0.850 489 D CB 0.261 41.092 40.800 0.052 0.000 0.921 489 D HN 0.045 nan 8.370 nan 0.000 0.513 490 S N 0.743 116.475 115.700 0.053 0.000 2.562 490 S HA 0.125 4.595 4.470 -0.000 0.000 0.281 490 S C 0.387 175.018 174.600 0.051 0.000 1.333 490 S CA -0.284 57.951 58.200 0.059 0.000 1.052 490 S CB 0.918 64.153 63.200 0.059 0.000 0.884 490 S HN 0.078 nan 8.310 nan 0.000 0.506 491 I N 5.234 125.840 120.570 0.060 0.000 2.312 491 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 491 I C -1.576 174.580 176.117 0.066 0.000 1.008 491 I CA -2.661 58.672 61.300 0.055 0.000 1.226 491 I CB 0.544 38.578 38.000 0.057 0.000 1.371 491 I HN 0.366 nan 8.210 nan 0.000 0.468 492 P HA -0.257 nan 4.420 nan 0.000 0.217 492 P C 1.470 178.836 177.300 0.110 0.000 1.162 492 P CA 1.453 64.590 63.100 0.062 0.000 0.901 492 P CB 0.484 32.203 31.700 0.032 0.000 0.793 493 E N -1.111 119.143 120.200 0.089 0.000 2.208 493 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 493 E C 2.071 178.730 176.600 0.099 0.000 0.988 493 E CA 0.994 57.452 56.400 0.096 0.000 0.828 493 E CB -0.508 29.233 29.700 0.068 0.000 0.763 493 E HN -0.138 nan 8.360 nan 0.000 0.478 494 R N 0.603 121.158 120.500 0.092 0.000 2.066 494 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 494 R C 1.912 178.279 176.300 0.112 0.000 1.131 494 R CA 1.324 57.477 56.100 0.088 0.000 0.955 494 R CB -0.462 29.886 30.300 0.079 0.000 0.851 494 R HN 0.274 nan 8.270 nan 0.000 0.432 495 E N 0.410 120.701 120.200 0.152 0.000 2.077 495 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 495 E C 1.926 178.652 176.600 0.210 0.000 0.989 495 E CA 1.258 57.788 56.400 0.217 0.000 0.800 495 E CB -0.376 29.495 29.700 0.285 0.000 0.746 495 E HN 0.266 nan 8.360 nan 0.000 0.452 496 A N 2.184 125.142 122.820 0.230 0.000 1.865 496 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 496 A C 1.914 179.500 177.584 0.003 0.000 1.191 496 A CA 1.968 54.047 52.037 0.069 0.000 0.623 496 A CB -0.580 18.520 19.000 0.166 0.000 0.826 496 A HN 0.089 nan 8.150 nan 0.000 0.444 497 D N -0.818 119.613 120.400 0.051 0.000 2.149 497 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 497 D C 1.865 178.179 176.300 0.024 0.000 0.990 497 D CA 1.528 55.548 54.000 0.034 0.000 0.839 497 D CB -0.323 40.503 40.800 0.043 0.000 0.948 497 D HN 0.749 nan 8.370 nan 0.000 0.460 498 E N 0.101 120.329 120.200 0.046 0.000 2.077 498 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 498 E C 1.972 178.595 176.600 0.038 0.000 0.989 498 E CA 1.849 58.284 56.400 0.058 0.000 0.800 498 E CB 0.099 29.857 29.700 0.097 0.000 0.746 498 E HN 0.353 nan 8.360 nan 0.000 0.452 499 T N -0.947 113.603 114.554 -0.007 0.000 2.720 499 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 499 T C 1.999 176.730 174.700 0.051 0.000 1.037 499 T CA 1.377 63.473 62.100 -0.006 0.000 1.144 499 T CB -0.393 68.342 68.868 -0.221 0.000 0.864 499 T HN 0.115 nan 8.240 nan 0.000 0.444 500 R N 1.384 121.888 120.500 0.007 0.000 2.073 500 R HA -0.041 4.299 4.340 -0.000 0.000 0.234 500 R C 2.650 178.809 176.300 -0.235 0.000 1.134 500 R CA 1.733 57.712 56.100 -0.202 0.000 0.952 500 R CB -0.492 29.743 30.300 -0.108 0.000 0.850 500 R HN 0.622 nan 8.270 nan 0.000 0.433 501 N N -0.107 118.528 118.700 -0.108 0.000 2.309 501 N HA -0.144 4.596 4.740 -0.000 0.000 0.182 501 N C 1.181 176.664 175.510 -0.045 0.000 1.018 501 N CA 0.860 53.858 53.050 -0.087 0.000 0.876 501 N CB 0.176 38.663 38.487 -0.000 0.000 0.972 501 N HN 0.234 nan 8.380 nan 0.000 0.434 502 K N 0.344 120.743 120.400 -0.001 0.000 2.062 502 K HA 0.020 4.340 4.320 -0.000 0.000 0.205 502 K C 2.050 178.651 176.600 0.000 0.000 1.051 502 K CA 1.041 57.361 56.287 0.055 0.000 0.941 502 K CB -0.024 32.540 32.500 0.107 0.000 0.719 502 K HN 0.120 nan 8.250 nan 0.000 0.440 503 A N 1.531 124.300 122.820 -0.084 0.000 1.969 503 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 503 A C 2.037 179.489 177.584 -0.219 0.000 1.169 503 A CA 1.240 53.183 52.037 -0.157 0.000 0.635 503 A CB -0.446 18.343 19.000 -0.351 0.000 0.810 503 A HN 0.218 nan 8.150 nan 0.000 0.445 504 R N -0.100 120.218 120.500 -0.303 0.000 2.159 504 R HA -0.276 4.064 4.340 -0.000 0.000 0.249 504 R C 2.210 178.318 176.300 -0.319 0.000 1.136 504 R CA 2.152 58.006 56.100 -0.411 0.000 0.951 504 R CB -0.542 29.352 30.300 -0.678 0.000 0.876 504 R HN 0.459 nan 8.270 nan 0.000 0.440 505 A N -0.271 122.474 122.820 -0.125 0.000 1.908 505 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 505 A C 2.306 179.954 177.584 0.106 0.000 1.181 505 A CA 1.909 54.030 52.037 0.139 0.000 0.627 505 A CB -0.568 18.601 19.000 0.281 0.000 0.818 505 A HN 0.262 nan 8.150 nan 0.000 0.445 506 V N 0.007 119.959 119.914 0.064 0.000 2.307 506 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 506 V C 2.563 178.718 176.094 0.102 0.000 1.045 506 V CA 1.845 64.204 62.300 0.097 0.000 1.024 506 V CB -0.801 31.050 31.823 0.046 0.000 0.651 506 V HN 0.566 nan 8.190 nan 0.000 0.449 507 L N -0.475 120.759 121.223 0.020 0.000 2.042 507 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 507 L C 2.786 179.774 176.870 0.197 0.000 1.076 507 L CA 1.721 56.587 54.840 0.044 0.000 0.749 507 L CB -0.614 41.378 42.059 -0.113 0.000 0.893 507 L HN 0.236 nan 8.230 nan 0.000 0.432 508 R N -0.300 120.271 120.500 0.118 0.000 2.148 508 R HA -0.030 4.310 4.340 -0.000 0.000 0.223 508 R C 2.373 178.743 176.300 0.118 0.000 1.088 508 R CA 1.007 57.175 56.100 0.113 0.000 0.985 508 R CB -0.293 30.034 30.300 0.046 0.000 0.880 508 R HN 0.342 nan 8.270 nan 0.000 0.451 509 A N 1.350 124.251 122.820 0.135 0.000 1.898 509 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 509 A C 2.105 179.777 177.584 0.147 0.000 1.181 509 A CA 1.032 53.143 52.037 0.123 0.000 0.620 509 A CB -0.323 18.769 19.000 0.154 0.000 0.819 509 A HN 0.132 nan 8.150 nan 0.000 0.442 510 I N -0.259 120.452 120.570 0.235 0.000 2.202 510 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 510 I C 2.975 179.315 176.117 0.372 0.000 1.091 510 I CA 0.994 62.498 61.300 0.340 0.000 1.368 510 I CB -0.358 37.844 38.000 0.336 0.000 1.058 510 I HN 0.338 nan 8.210 nan 0.000 0.410 511 A N 0.411 123.401 122.820 0.283 0.000 1.858 511 A HA -0.216 4.103 4.320 -0.000 0.000 0.216 511 A C 2.412 180.056 177.584 0.100 0.000 1.190 511 A CA 2.581 54.752 52.037 0.224 0.000 0.617 511 A CB -1.219 17.875 19.000 0.155 0.000 0.827 511 A HN 0.364 nan 8.150 nan 0.000 0.443 512 T N 0.289 114.857 114.554 0.022 0.000 2.720 512 T HA -0.041 4.309 4.350 -0.000 0.000 0.268 512 T C 2.115 176.688 174.700 -0.212 0.000 1.037 512 T CA 1.622 63.662 62.100 -0.100 0.000 1.144 512 T CB -0.437 68.383 68.868 -0.081 0.000 0.864 512 T HN 0.599 nan 8.240 nan 0.000 0.444 513 A N 0.642 123.375 122.820 -0.146 0.000 2.067 513 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 513 A C 1.593 179.003 177.584 -0.289 0.000 1.158 513 A CA 1.033 52.913 52.037 -0.262 0.000 0.661 513 A CB -0.432 18.405 19.000 -0.272 0.000 0.801 513 A HN 0.610 nan 8.150 nan 0.000 0.452 514 H N -2.027 117.057 119.070 0.024 0.000 2.528 514 H HA 0.169 4.724 4.556 -0.000 0.000 0.282 514 H C -0.400 175.045 175.328 0.195 0.000 1.097 514 H CA 0.095 56.229 56.048 0.144 0.000 1.121 514 H CB -0.064 29.774 29.762 0.128 0.000 1.590 514 H HN 0.724 nan 8.280 nan 0.000 0.553 515 H N -0.255 118.871 119.070 0.093 0.000 2.741 515 H HA -0.149 4.407 4.556 -0.000 0.000 0.305 515 H C 0.615 175.973 175.328 0.049 0.000 1.169 515 H CA 0.395 56.473 56.048 0.050 0.000 1.144 515 H CB -1.544 28.243 29.762 0.042 0.000 1.397 515 H HN 0.539 nan 8.280 nan 0.000 0.409 516 A N 0.520 123.402 122.820 0.103 0.000 2.445 516 A HA 0.528 4.848 4.320 -0.000 0.000 0.242 516 A C 1.533 179.103 177.584 -0.023 0.000 1.075 516 A CA 0.414 52.484 52.037 0.055 0.000 0.777 516 A CB 0.274 19.304 19.000 0.051 0.000 1.013 516 A HN 0.633 nan 8.150 nan 0.000 0.493 517 K N 0.933 121.310 120.400 -0.039 0.000 2.211 517 K HA 0.389 4.709 4.320 -0.000 0.000 0.201 517 K C 1.010 177.514 176.600 -0.160 0.000 1.052 517 K CA 1.633 57.879 56.287 -0.068 0.000 0.973 517 K CB -1.349 31.131 32.500 -0.033 0.000 0.766 517 K HN 1.357 nan 8.250 nan 0.000 0.466 518 E N 0.135 120.185 120.200 -0.250 0.000 2.413 518 E HA 0.436 4.786 4.350 -0.000 0.000 0.263 518 E C -0.382 175.812 176.600 -0.676 0.000 1.015 518 E CA 0.061 56.195 56.400 -0.442 0.000 0.916 518 E CB 0.757 30.140 29.700 -0.529 0.000 0.947 518 E HN 0.376 nan 8.360 nan 0.000 0.440 519 V N 4.418 124.036 119.914 -0.493 0.000 2.313 519 V HA 0.404 4.524 4.120 -0.000 0.000 0.278 519 V C -0.292 175.593 176.094 -0.347 0.000 1.017 519 V CA -0.483 61.583 62.300 -0.390 0.000 0.823 519 V CB -0.449 31.270 31.823 -0.173 0.000 1.010 519 V HN 0.739 nan 8.190 nan 0.000 0.443 520 F N 0.000 119.897 119.950 -0.089 0.000 2.286 520 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 520 F CA 0.000 57.917 58.000 -0.138 0.000 1.383 520 F CB 0.000 38.904 39.000 -0.159 0.000 1.145 520 F HN 0.000 nan 8.300 nan 0.000 0.574