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 3nzq_1_A DATA FIRST_RESID 34 DATA SEQUENCE KMLRTYNIAW WGNNYYDVNE LGHISVCPDP DVPEARVDLA QLVKTREAQG DATA SEQUENCE QRLPALFCFP QILQHRLRSI NAAFKRARES YGYNGDYFLV YPIKVNQHRR DATA SEQUENCE VIESLIHSGE PLGLEAGSKA ELMAVLAHAG MTRSVIVCNG YKDREYIRLA DATA SEQUENCE LIGEKMGHKV YLVIEKMSEI AIVLDEAERL NVVPRLGVRA RLASQGSGKW DATA SEQUENCE QSSGGEKSKF GLAATQVLQL VETLREAGRL DSLQLLHFHL GSQMANIRDI DATA SEQUENCE ATGVRESARF YVELHKLGVN IQCFDVGGGL GVDYEGTRSQ SDCSVNYGLN DATA SEQUENCE EYANNIIWAI GDACEENGLP HPTVITESGR AVTAHHTVLV SNIIGVERNE DATA SEQUENCE YTVPTAPAED APRALQSMWE TWQEMHEPGT RRSLREWLHD SQMDLHDIHI DATA SEQUENCE GYSSGIFSLQ ERAWAEQLYL SMCHEVQKQL DPQNRAHRPI IDELQERMAD DATA SEQUENCE KMYVNFSLFQ SMPDAWGIDQ LFPVLPLEGL DQVPERRAVL LDITCDSDGA DATA SEQUENCE IDHYIDGDGI ATTMPMPEYD PENPPMLGFF MVGAYQEILG NMHNLFGDTE DATA SEQUENCE AVDVFVFPDG SVEVELSDEG DTVADMLQYV QLDPKTLLTQ FRDQVKKTDL DATA SEQUENCE DAELQQQFLE EFEAGLYGYT YLEDELEH 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 34 K HA 0.000 nan 4.320 nan 0.000 0.191 34 K C 0.000 176.588 176.600 -0.019 0.000 0.988 34 K CA 0.000 56.284 56.287 -0.004 0.000 0.838 34 K CB 0.000 32.490 32.500 -0.017 0.000 1.064 35 M N 1.361 120.952 119.600 -0.015 0.000 2.419 35 M HA 0.069 4.550 4.480 0.001 0.000 0.264 35 M C 1.191 177.518 176.300 0.045 0.000 1.082 35 M CA 1.021 56.290 55.300 -0.052 0.000 1.119 35 M CB 0.236 32.835 32.600 -0.002 0.000 1.398 35 M HN 0.212 nan 8.290 nan 0.000 0.453 36 L N -1.447 119.833 121.223 0.097 0.000 2.418 36 L HA 0.070 4.411 4.340 0.001 0.000 0.218 36 L C 1.966 178.921 176.870 0.142 0.000 1.125 36 L CA 1.407 56.331 54.840 0.141 0.000 0.835 36 L CB -1.719 40.380 42.059 0.067 0.000 0.953 36 L HN 0.368 nan 8.230 nan 0.000 0.454 37 R N 1.054 121.618 120.500 0.107 0.000 2.156 37 R HA 0.006 4.347 4.340 0.001 0.000 0.207 37 R C 1.867 178.236 176.300 0.115 0.000 1.040 37 R CA 1.384 57.575 56.100 0.152 0.000 1.013 37 R CB -0.051 30.312 30.300 0.106 0.000 0.931 37 R HN 0.631 nan 8.270 nan 0.000 0.465 38 T N -2.752 111.807 114.554 0.009 0.000 3.113 38 T HA 0.017 4.368 4.350 0.001 0.000 0.256 38 T C 1.474 176.150 174.700 -0.040 0.000 1.131 38 T CA 0.558 62.611 62.100 -0.079 0.000 1.074 38 T CB -0.216 68.526 68.868 -0.210 0.000 0.944 38 T HN 0.269 nan 8.240 nan 0.000 0.516 39 Y N 1.387 121.774 120.300 0.145 0.000 2.449 39 Y HA 0.261 4.812 4.550 0.001 0.000 0.254 39 Y C 0.785 176.915 175.900 0.383 0.000 1.140 39 Y CA -0.905 57.332 58.100 0.228 0.000 1.272 39 Y CB 0.234 38.818 38.460 0.208 0.000 1.114 39 Y HN 0.130 nan 8.280 nan 0.000 0.525 40 N N 0.321 119.285 118.700 0.441 0.000 2.708 40 N HA -0.284 4.457 4.740 0.001 0.000 0.251 40 N C 0.919 176.574 175.510 0.243 0.000 1.123 40 N CA 1.228 54.575 53.050 0.496 0.000 0.739 40 N CB -1.608 37.158 38.487 0.465 0.000 1.113 40 N HN 0.473 nan 8.380 nan 0.000 0.561 41 I N 0.634 121.201 120.570 -0.005 0.000 2.185 41 I HA -0.338 3.832 4.170 0.001 0.000 0.246 41 I C 2.474 178.170 176.117 -0.702 0.000 1.088 41 I CA 1.981 62.846 61.300 -0.725 0.000 1.347 41 I CB -0.335 37.408 38.000 -0.429 0.000 1.041 41 I HN 0.363 nan 8.210 nan 0.000 0.415 42 A N 0.237 122.858 122.820 -0.331 0.000 1.978 42 A HA -0.221 4.100 4.320 0.001 0.000 0.220 42 A C 2.154 179.453 177.584 -0.475 0.000 1.170 42 A CA 1.403 53.167 52.037 -0.456 0.000 0.636 42 A CB -0.724 17.912 19.000 -0.608 0.000 0.810 42 A HN 0.576 nan 8.150 nan 0.000 0.448 43 W N -0.338 120.826 121.300 -0.227 0.000 2.488 43 W HA -0.023 4.637 4.660 0.001 0.000 0.304 43 W C 2.319 178.828 176.519 -0.017 0.000 1.175 43 W CA 0.719 58.013 57.345 -0.085 0.000 1.365 43 W CB -0.868 28.606 29.460 0.025 0.000 1.131 43 W HN 0.744 nan 8.180 nan 0.000 0.520 44 W N 0.331 121.788 121.300 0.261 0.000 3.256 44 W HA 0.325 4.986 4.660 0.001 0.000 0.269 44 W C 1.540 178.186 176.519 0.211 0.000 1.310 44 W CA 0.652 58.108 57.345 0.187 0.000 1.673 44 W CB -1.547 27.991 29.460 0.130 0.000 1.115 44 W HN -0.163 nan 8.180 nan 0.000 0.686 45 G N 1.848 110.412 108.800 -0.393 0.000 2.572 45 G HA2 -0.241 3.720 3.960 0.001 0.000 0.216 45 G HA3 -0.241 3.720 3.960 0.001 0.000 0.216 45 G C 0.638 175.508 174.900 -0.049 0.000 1.133 45 G CA 0.346 45.252 45.100 -0.324 0.000 0.791 45 G HN 0.275 nan 8.290 nan 0.000 0.538 46 N N 0.715 119.375 118.700 -0.065 0.000 2.686 46 N HA -0.211 4.530 4.740 0.001 0.000 0.249 46 N C 0.562 175.795 175.510 -0.462 0.000 1.082 46 N CA 1.048 54.012 53.050 -0.144 0.000 0.725 46 N CB -0.893 37.618 38.487 0.040 0.000 1.009 46 N HN 0.477 nan 8.380 nan 0.000 0.545 47 N N -4.353 114.094 118.700 -0.420 0.000 2.936 47 N HA -0.266 4.475 4.740 0.001 0.000 0.236 47 N C 0.288 175.434 175.510 -0.605 0.000 0.930 47 N CA 1.810 54.562 53.050 -0.497 0.000 0.966 47 N CB -1.471 36.709 38.487 -0.511 0.000 1.090 47 N HN 0.630 nan 8.380 nan 0.000 0.592 48 Y N -0.534 119.497 120.300 -0.447 0.000 2.262 48 Y HA 0.121 4.672 4.550 0.001 0.000 0.295 48 Y C 0.814 176.242 175.900 -0.786 0.000 1.121 48 Y CA 0.685 58.374 58.100 -0.685 0.000 1.144 48 Y CB 0.111 38.054 38.460 -0.862 0.000 1.043 48 Y HN 0.058 nan 8.280 nan 0.000 0.528 49 Y N 0.218 120.401 120.300 -0.196 0.000 2.409 49 Y HA 0.510 5.061 4.550 0.001 0.000 0.339 49 Y C -0.724 174.954 175.900 -0.370 0.000 1.033 49 Y CA -1.444 56.480 58.100 -0.293 0.000 1.094 49 Y CB 1.778 40.016 38.460 -0.370 0.000 1.210 49 Y HN -0.120 nan 8.280 nan 0.000 0.456 50 D N -0.386 119.924 120.400 -0.150 0.000 2.685 50 D HA 0.352 4.993 4.640 0.001 0.000 0.236 50 D C -1.927 174.306 176.300 -0.110 0.000 1.233 50 D CA -0.502 53.389 54.000 -0.181 0.000 0.760 50 D CB 1.797 42.478 40.800 -0.198 0.000 1.410 50 D HN 0.243 nan 8.370 nan 0.000 0.439 51 V N 3.793 123.652 119.914 -0.093 0.000 2.408 51 V HA 0.275 4.396 4.120 0.001 0.000 0.267 51 V C 0.978 177.044 176.094 -0.047 0.000 1.047 51 V CA -0.536 61.741 62.300 -0.039 0.000 0.937 51 V CB 0.131 31.947 31.823 -0.012 0.000 0.999 51 V HN 0.592 nan 8.190 nan 0.000 0.472 52 N N 4.524 123.204 118.700 -0.034 0.000 2.263 52 N HA 0.052 4.793 4.740 0.001 0.000 0.239 52 N C 0.471 175.943 175.510 -0.062 0.000 1.317 52 N CA -0.648 52.371 53.050 -0.053 0.000 0.909 52 N CB 0.592 39.051 38.487 -0.046 0.000 1.171 52 N HN 0.698 nan 8.380 nan 0.000 0.492 53 E N -0.003 120.155 120.200 -0.070 0.000 2.441 53 E HA -0.043 4.308 4.350 0.001 0.000 0.210 53 E C 0.128 176.669 176.600 -0.097 0.000 1.306 53 E CA 0.133 56.490 56.400 -0.071 0.000 1.307 53 E CB -0.374 29.288 29.700 -0.062 0.000 1.297 53 E HN 0.617 nan 8.360 nan 0.000 0.440 54 L N -1.390 119.754 121.223 -0.132 0.000 3.826 54 L HA 0.299 4.639 4.340 0.001 0.000 0.362 54 L C 1.064 177.777 176.870 -0.262 0.000 1.235 54 L CA 0.957 55.657 54.840 -0.235 0.000 1.207 54 L CB 0.560 42.401 42.059 -0.363 0.000 1.518 54 L HN 0.273 nan 8.230 nan 0.000 0.628 55 G N -0.570 108.176 108.800 -0.091 0.000 2.284 55 G HA2 -0.318 3.643 3.960 0.001 0.000 0.247 55 G HA3 -0.318 3.643 3.960 0.001 0.000 0.247 55 G C 0.527 175.524 174.900 0.162 0.000 1.012 55 G CA 0.648 45.767 45.100 0.032 0.000 0.618 55 G HN 0.572 nan 8.290 nan 0.000 0.521 56 H N 0.271 119.343 119.070 0.003 0.000 2.607 56 H HA 0.481 5.037 4.556 0.001 0.000 0.367 56 H C 0.210 175.536 175.328 -0.004 0.000 1.181 56 H CA -0.477 55.572 56.048 0.002 0.000 1.402 56 H CB 1.650 31.411 29.762 -0.003 0.000 1.474 56 H HN 0.172 nan 8.280 nan 0.000 0.596 57 I N 2.995 123.644 120.570 0.133 0.000 2.312 57 I HA 0.070 4.240 4.170 0.001 0.000 0.291 57 I C 0.073 176.232 176.117 0.070 0.000 1.031 57 I CA 0.093 61.436 61.300 0.073 0.000 1.293 57 I CB 0.068 38.117 38.000 0.082 0.000 1.403 57 I HN 0.593 nan 8.210 nan 0.000 0.484 58 S N 7.305 123.019 115.700 0.022 0.000 2.638 58 S HA 0.694 5.165 4.470 0.001 0.000 0.298 58 S C -0.568 173.994 174.600 -0.062 0.000 1.111 58 S CA -0.693 57.500 58.200 -0.011 0.000 1.027 58 S CB 2.257 65.434 63.200 -0.037 0.000 1.064 58 S HN 0.610 nan 8.310 nan 0.000 0.525 59 V N 1.030 120.861 119.914 -0.139 0.000 2.588 59 V HA 0.627 4.748 4.120 0.001 0.000 0.304 59 V C -0.993 174.885 176.094 -0.361 0.000 1.042 59 V CA -0.737 61.357 62.300 -0.343 0.000 0.877 59 V CB 1.242 32.721 31.823 -0.574 0.000 0.996 59 V HN 1.218 nan 8.190 nan 0.000 0.425 60 C N 9.903 128.969 119.300 -0.390 0.000 2.439 60 C HA 0.581 5.042 4.460 0.001 0.000 0.298 60 C C -0.570 174.243 174.990 -0.295 0.000 1.094 60 C CA -1.398 57.444 59.018 -0.293 0.000 1.609 60 C CB 0.526 28.107 27.740 -0.267 0.000 1.723 60 C HN 0.889 nan 8.230 nan 0.000 0.423 61 P HA -0.121 nan 4.420 nan 0.000 0.218 61 P C 0.097 177.372 177.300 -0.042 0.000 1.146 61 P CA 1.642 64.635 63.100 -0.179 0.000 0.820 61 P CB 0.211 31.854 31.700 -0.095 0.000 0.778 62 D N -0.628 119.722 120.400 -0.082 0.000 2.389 62 D HA 0.145 4.786 4.640 0.001 0.000 0.256 62 D C -1.969 174.234 176.300 -0.163 0.000 1.239 62 D CA -2.092 51.872 54.000 -0.060 0.000 0.925 62 D CB 1.580 42.423 40.800 0.072 0.000 1.145 62 D HN 0.003 nan 8.370 nan 0.000 0.542 63 P HA -0.015 nan 4.420 nan 0.000 0.239 63 P C 0.448 177.673 177.300 -0.125 0.000 1.184 63 P CA 0.283 63.175 63.100 -0.347 0.000 0.760 63 P CB 0.641 31.976 31.700 -0.609 0.000 0.884 64 D N 0.107 120.515 120.400 0.013 0.000 2.277 64 D HA -0.028 4.613 4.640 0.001 0.000 0.208 64 D C 0.988 177.300 176.300 0.020 0.000 0.962 64 D CA 0.919 54.959 54.000 0.067 0.000 0.865 64 D CB 0.199 41.077 40.800 0.130 0.000 0.939 64 D HN 0.183 nan 8.370 nan 0.000 0.510 65 V N -1.293 118.621 119.914 -0.001 0.000 2.320 65 V HA 0.297 4.418 4.120 0.001 0.000 0.257 65 V C -2.042 174.027 176.094 -0.042 0.000 0.996 65 V CA -1.371 60.926 62.300 -0.005 0.000 0.928 65 V CB 1.337 33.176 31.823 0.027 0.000 1.169 65 V HN -0.205 nan 8.190 nan 0.000 0.475 66 P HA -0.160 nan 4.420 nan 0.000 0.224 66 P C 0.757 178.011 177.300 -0.077 0.000 1.142 66 P CA 1.384 64.428 63.100 -0.094 0.000 0.778 66 P CB 0.430 32.073 31.700 -0.094 0.000 0.764 67 E N -0.306 119.865 120.200 -0.048 0.000 2.479 67 E HA 0.203 4.554 4.350 0.001 0.000 0.193 67 E C 1.017 177.600 176.600 -0.027 0.000 1.049 67 E CA 0.045 56.424 56.400 -0.036 0.000 0.870 67 E CB -0.120 29.569 29.700 -0.019 0.000 0.944 67 E HN 0.173 nan 8.360 nan 0.000 0.492 68 A N 2.190 124.991 122.820 -0.031 0.000 3.016 68 A HA 0.309 4.630 4.320 0.001 0.000 0.303 68 A C -0.156 177.392 177.584 -0.059 0.000 1.507 68 A CA -0.572 51.452 52.037 -0.022 0.000 1.196 68 A CB -0.181 18.821 19.000 0.004 0.000 1.169 68 A HN 0.003 nan 8.150 nan 0.000 0.544 69 R N -0.060 120.404 120.500 -0.059 0.000 2.875 69 R HA 0.824 5.165 4.340 0.001 0.000 0.251 69 R C -1.251 175.018 176.300 -0.052 0.000 1.123 69 R CA -0.834 55.216 56.100 -0.083 0.000 1.064 69 R CB 1.685 31.933 30.300 -0.086 0.000 1.205 69 R HN 0.184 nan 8.270 nan 0.000 0.503 70 V N 0.545 120.426 119.914 -0.055 0.000 2.777 70 V HA 0.066 4.186 4.120 0.001 0.000 0.306 70 V C -0.860 175.235 176.094 0.002 0.000 1.112 70 V CA -0.896 61.399 62.300 -0.009 0.000 0.917 70 V CB 2.156 33.997 31.823 0.030 0.000 1.018 70 V HN 0.706 nan 8.190 nan 0.000 0.426 71 D N 4.335 124.751 120.400 0.026 0.000 2.348 71 D HA 0.053 4.693 4.640 0.001 0.000 0.259 71 D C 1.024 177.345 176.300 0.035 0.000 1.296 71 D CA -0.092 53.940 54.000 0.053 0.000 0.931 71 D CB 1.176 42.031 40.800 0.091 0.000 1.067 71 D HN 0.462 nan 8.370 nan 0.000 0.503 72 L N 4.306 125.544 121.223 0.025 0.000 2.046 72 L HA -0.197 4.143 4.340 0.001 0.000 0.208 72 L C 1.995 178.806 176.870 -0.099 0.000 1.077 72 L CA 1.738 56.563 54.840 -0.024 0.000 0.747 72 L CB -0.833 41.243 42.059 0.028 0.000 0.896 72 L HN 0.443 nan 8.230 nan 0.000 0.432 73 A N -0.888 121.884 122.820 -0.080 0.000 1.902 73 A HA -0.221 4.099 4.320 0.001 0.000 0.217 73 A C 2.074 179.584 177.584 -0.124 0.000 1.181 73 A CA 1.214 53.154 52.037 -0.163 0.000 0.623 73 A CB -0.406 18.398 19.000 -0.328 0.000 0.818 73 A HN 0.513 nan 8.150 nan 0.000 0.443 74 Q N -0.922 118.853 119.800 -0.041 0.000 2.050 74 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 74 Q C 2.139 178.138 176.000 -0.002 0.000 0.980 74 Q CA 1.478 57.285 55.803 0.006 0.000 0.840 74 Q CB -0.628 28.152 28.738 0.070 0.000 0.898 74 Q HN 0.587 nan 8.270 nan 0.000 0.424 75 L N 0.321 121.539 121.223 -0.009 0.000 2.042 75 L HA -0.143 4.198 4.340 0.001 0.000 0.210 75 L C 2.207 179.074 176.870 -0.004 0.000 1.076 75 L CA 1.406 56.249 54.840 0.007 0.000 0.749 75 L CB -0.731 41.331 42.059 0.005 0.000 0.893 75 L HN -0.057 nan 8.230 nan 0.000 0.432 76 V N -0.134 119.723 119.914 -0.095 0.000 2.237 76 V HA -0.318 3.803 4.120 0.001 0.000 0.245 76 V C 2.614 178.711 176.094 0.006 0.000 1.046 76 V CA 2.200 64.459 62.300 -0.068 0.000 1.007 76 V CB -0.620 31.104 31.823 -0.165 0.000 0.638 76 V HN 0.462 nan 8.190 nan 0.000 0.445 77 K N -0.384 120.004 120.400 -0.020 0.000 2.074 77 K HA -0.207 4.114 4.320 0.001 0.000 0.209 77 K C 2.196 178.809 176.600 0.022 0.000 1.048 77 K CA 2.071 58.357 56.287 -0.001 0.000 0.926 77 K CB -0.577 31.915 32.500 -0.013 0.000 0.713 77 K HN 0.494 nan 8.250 nan 0.000 0.444 78 T N 1.027 115.597 114.554 0.027 0.000 2.580 78 T HA -0.171 4.180 4.350 0.001 0.000 0.265 78 T C 1.823 176.552 174.700 0.047 0.000 1.063 78 T CA 1.391 63.514 62.100 0.039 0.000 1.170 78 T CB -0.194 68.701 68.868 0.045 0.000 0.863 78 T HN 0.270 nan 8.240 nan 0.000 0.418 79 R N 0.774 121.315 120.500 0.069 0.000 2.120 79 R HA -0.035 4.306 4.340 0.001 0.000 0.234 79 R C 2.516 178.850 176.300 0.056 0.000 1.123 79 R CA 0.782 56.927 56.100 0.075 0.000 0.975 79 R CB -0.268 30.112 30.300 0.133 0.000 0.866 79 R HN 0.447 nan 8.270 nan 0.000 0.446 80 E N 1.287 121.521 120.200 0.058 0.000 2.005 80 E HA -0.165 4.185 4.350 0.001 0.000 0.198 80 E C 1.804 178.423 176.600 0.031 0.000 1.010 80 E CA 1.638 58.064 56.400 0.043 0.000 0.825 80 E CB -0.123 29.599 29.700 0.037 0.000 0.769 80 E HN 0.267 nan 8.360 nan 0.000 0.456 81 A N 0.681 123.518 122.820 0.030 0.000 2.178 81 A HA -0.164 4.157 4.320 0.001 0.000 0.218 81 A C 1.956 179.554 177.584 0.023 0.000 1.157 81 A CA 1.331 53.383 52.037 0.026 0.000 0.689 81 A CB -0.380 18.636 19.000 0.025 0.000 0.787 81 A HN 0.335 nan 8.150 nan 0.000 0.465 82 Q N -1.338 118.476 119.800 0.024 0.000 2.360 82 Q HA 0.287 4.628 4.340 0.001 0.000 0.202 82 Q C 0.842 176.848 176.000 0.011 0.000 0.915 82 Q CA 0.550 56.365 55.803 0.019 0.000 0.943 82 Q CB 0.044 28.797 28.738 0.024 0.000 1.064 82 Q HN 0.812 nan 8.270 nan 0.000 0.511 83 G N 0.624 109.429 108.800 0.008 0.000 2.135 83 G HA2 -0.177 3.784 3.960 0.001 0.000 0.183 83 G HA3 -0.177 3.784 3.960 0.001 0.000 0.183 83 G C -0.261 174.624 174.900 -0.025 0.000 1.004 83 G CA -0.380 44.717 45.100 -0.005 0.000 0.677 83 G HN 0.232 nan 8.290 nan 0.000 0.512 84 Q N 0.274 120.062 119.800 -0.019 0.000 2.340 84 Q HA 0.321 4.661 4.340 0.001 0.000 0.249 84 Q C 0.869 176.823 176.000 -0.076 0.000 0.957 84 Q CA -0.275 55.499 55.803 -0.048 0.000 0.882 84 Q CB 0.601 29.335 28.738 -0.008 0.000 1.235 84 Q HN 0.315 nan 8.270 nan 0.000 0.439 85 R N 2.345 122.745 120.500 -0.167 0.000 2.643 85 R HA 0.049 4.390 4.340 0.001 0.000 0.270 85 R C 1.373 177.610 176.300 -0.106 0.000 1.061 85 R CA -0.249 55.698 56.100 -0.256 0.000 1.107 85 R CB 0.190 30.091 30.300 -0.664 0.000 0.999 85 R HN 0.516 nan 8.270 nan 0.000 0.460 86 L N 3.602 124.835 121.223 0.017 0.000 1.924 86 L HA -0.117 4.223 4.340 0.001 0.000 0.237 86 L C -0.958 175.941 176.870 0.049 0.000 1.090 86 L CA 1.677 56.570 54.840 0.087 0.000 0.829 86 L CB -2.288 39.869 42.059 0.164 0.000 0.903 86 L HN 0.487 nan 8.230 nan 0.000 0.430 87 P HA 0.163 nan 4.420 nan 0.000 0.264 87 P C -0.983 176.264 177.300 -0.088 0.000 1.229 87 P CA 0.313 63.330 63.100 -0.138 0.000 0.780 87 P CB 0.555 31.958 31.700 -0.495 0.000 0.808 88 A N 4.501 127.287 122.820 -0.056 0.000 2.380 88 A HA 0.620 4.941 4.320 0.001 0.000 0.315 88 A C -1.192 176.326 177.584 -0.110 0.000 1.101 88 A CA -0.792 51.173 52.037 -0.119 0.000 0.771 88 A CB 1.249 20.138 19.000 -0.185 0.000 1.287 88 A HN 0.481 nan 8.150 nan 0.000 0.436 89 L N 2.094 123.180 121.223 -0.228 0.000 2.301 89 L HA 0.607 4.948 4.340 0.001 0.000 0.278 89 L C -1.599 175.088 176.870 -0.307 0.000 1.022 89 L CA -0.370 54.362 54.840 -0.179 0.000 0.854 89 L CB -0.123 41.842 42.059 -0.157 0.000 1.226 89 L HN 0.508 nan 8.230 nan 0.000 0.429 90 F N 3.773 123.603 119.950 -0.199 0.000 2.421 90 F HA 0.399 4.927 4.527 0.002 0.000 0.358 90 F C 0.418 175.972 175.800 -0.409 0.000 1.115 90 F CA -0.203 57.618 58.000 -0.299 0.000 1.160 90 F CB 0.592 39.447 39.000 -0.243 0.000 1.123 90 F HN 0.343 nan 8.300 nan 0.000 0.508 91 C N 4.281 123.332 119.300 -0.414 0.000 2.417 91 C HA 0.551 5.011 4.460 0.001 0.000 0.324 91 C C -0.455 174.173 174.990 -0.603 0.000 1.240 91 C CA -1.189 57.588 59.018 -0.402 0.000 1.632 91 C CB 0.231 27.813 27.740 -0.263 0.000 2.241 91 C HN 0.604 nan 8.230 nan 0.000 0.499 92 F N 3.398 123.303 119.950 -0.075 0.000 2.310 92 F HA 0.326 4.854 4.527 0.001 0.000 0.365 92 F C -1.201 174.505 175.800 -0.157 0.000 1.080 92 F CA -2.335 55.553 58.000 -0.187 0.000 1.187 92 F CB 0.569 39.476 39.000 -0.154 0.000 1.465 92 F HN 0.456 nan 8.300 nan 0.000 0.496 93 P HA -0.217 nan 4.420 nan 0.000 0.223 93 P C 1.055 178.321 177.300 -0.057 0.000 1.144 93 P CA 1.358 64.394 63.100 -0.106 0.000 0.783 93 P CB 0.317 31.938 31.700 -0.132 0.000 0.771 94 Q N -0.615 119.142 119.800 -0.072 0.000 2.224 94 Q HA -0.061 4.279 4.340 0.001 0.000 0.203 94 Q C 2.276 178.314 176.000 0.063 0.000 0.970 94 Q CA 0.933 56.758 55.803 0.037 0.000 0.865 94 Q CB -0.448 28.316 28.738 0.043 0.000 0.922 94 Q HN 0.321 nan 8.270 nan 0.000 0.445 95 I N 0.140 120.713 120.570 0.005 0.000 2.353 95 I HA -0.263 3.908 4.170 0.001 0.000 0.248 95 I C 1.975 178.061 176.117 -0.052 0.000 1.119 95 I CA 0.846 62.075 61.300 -0.119 0.000 1.417 95 I CB -0.195 37.603 38.000 -0.336 0.000 1.078 95 I HN 0.234 nan 8.210 nan 0.000 0.421 96 L N 0.232 121.427 121.223 -0.046 0.000 2.012 96 L HA -0.275 4.065 4.340 0.001 0.000 0.210 96 L C 2.687 179.545 176.870 -0.021 0.000 1.073 96 L CA 1.719 56.500 54.840 -0.099 0.000 0.748 96 L CB -0.624 41.293 42.059 -0.237 0.000 0.891 96 L HN 0.328 nan 8.230 nan 0.000 0.431 97 Q N -1.379 118.435 119.800 0.024 0.000 2.046 97 Q HA -0.235 4.106 4.340 0.001 0.000 0.200 97 Q C 2.279 178.344 176.000 0.107 0.000 0.975 97 Q CA 1.433 57.272 55.803 0.060 0.000 0.836 97 Q CB -0.299 28.491 28.738 0.086 0.000 0.896 97 Q HN 0.491 nan 8.270 nan 0.000 0.428 98 H N 0.875 119.994 119.070 0.081 0.000 2.353 98 H HA -0.066 4.491 4.556 0.001 0.000 0.300 98 H C 2.090 177.509 175.328 0.151 0.000 1.090 98 H CA 1.339 57.464 56.048 0.129 0.000 1.327 98 H CB 0.244 30.126 29.762 0.200 0.000 1.383 98 H HN 0.040 nan 8.280 nan 0.000 0.508 99 R N 0.818 121.504 120.500 0.309 0.000 2.091 99 R HA -0.108 4.233 4.340 0.001 0.000 0.238 99 R C 2.761 179.152 176.300 0.153 0.000 1.136 99 R CA 0.898 57.157 56.100 0.264 0.000 0.959 99 R CB -0.899 29.508 30.300 0.179 0.000 0.856 99 R HN 0.411 nan 8.270 nan 0.000 0.437 100 L N 0.608 121.890 121.223 0.099 0.000 2.017 100 L HA -0.198 4.142 4.340 0.001 0.000 0.208 100 L C 2.490 179.415 176.870 0.092 0.000 1.073 100 L CA 1.520 56.413 54.840 0.089 0.000 0.745 100 L CB -0.223 41.862 42.059 0.043 0.000 0.894 100 L HN 0.189 nan 8.230 nan 0.000 0.432 101 R N -0.923 119.596 120.500 0.033 0.000 2.127 101 R HA -0.138 4.203 4.340 0.001 0.000 0.238 101 R C 2.312 178.614 176.300 0.002 0.000 1.134 101 R CA 1.490 57.591 56.100 0.001 0.000 0.975 101 R CB -0.226 30.029 30.300 -0.076 0.000 0.865 101 R HN 0.372 nan 8.270 nan 0.000 0.447 102 S N 1.132 116.819 115.700 -0.022 0.000 2.371 102 S HA -0.086 4.385 4.470 0.001 0.000 0.224 102 S C 2.012 176.692 174.600 0.132 0.000 1.029 102 S CA 1.302 59.517 58.200 0.026 0.000 0.978 102 S CB -0.137 63.104 63.200 0.068 0.000 0.833 102 S HN 0.443 nan 8.310 nan 0.000 0.466 103 I N 0.361 121.051 120.570 0.200 0.000 2.353 103 I HA -0.071 4.100 4.170 0.001 0.000 0.248 103 I C 1.940 178.315 176.117 0.431 0.000 1.119 103 I CA 1.363 62.846 61.300 0.304 0.000 1.417 103 I CB -0.414 37.800 38.000 0.357 0.000 1.078 103 I HN 0.096 nan 8.210 nan 0.000 0.421 104 N N 1.867 120.809 118.700 0.403 0.000 2.166 104 N HA -0.130 4.611 4.740 0.001 0.000 0.186 104 N C 2.024 177.756 175.510 0.370 0.000 1.019 104 N CA 1.808 55.162 53.050 0.506 0.000 0.856 104 N CB -0.164 38.510 38.487 0.311 0.000 0.993 104 N HN 0.592 nan 8.380 nan 0.000 0.426 105 A N 1.017 123.972 122.820 0.225 0.000 1.930 105 A HA 0.041 4.361 4.320 0.001 0.000 0.217 105 A C 2.371 180.036 177.584 0.135 0.000 1.175 105 A CA 1.697 53.825 52.037 0.152 0.000 0.627 105 A CB -0.602 18.449 19.000 0.084 0.000 0.815 105 A HN 0.326 nan 8.150 nan 0.000 0.443 106 A N -1.342 121.552 122.820 0.124 0.000 1.902 106 A HA 0.002 4.323 4.320 0.001 0.000 0.217 106 A C 1.900 179.439 177.584 -0.074 0.000 1.181 106 A CA 1.420 53.468 52.037 0.018 0.000 0.623 106 A CB -0.681 18.316 19.000 -0.006 0.000 0.818 106 A HN 0.460 nan 8.150 nan 0.000 0.443 107 F N -0.255 119.679 119.950 -0.027 0.000 2.407 107 F HA 0.028 4.556 4.527 0.002 0.000 0.299 107 F C 2.202 177.997 175.800 -0.007 0.000 1.097 107 F CA 1.570 59.472 58.000 -0.163 0.000 1.422 107 F CB 0.083 38.683 39.000 -0.666 0.000 1.067 107 F HN 0.194 nan 8.300 nan 0.000 0.539 108 K N 0.491 121.035 120.400 0.241 0.000 2.076 108 K HA -0.112 4.208 4.320 0.001 0.000 0.204 108 K C 2.341 179.032 176.600 0.152 0.000 1.051 108 K CA 0.687 57.102 56.287 0.214 0.000 0.949 108 K CB -0.101 32.519 32.500 0.199 0.000 0.726 108 K HN 0.014 nan 8.250 nan 0.000 0.443 109 R N -0.040 120.528 120.500 0.112 0.000 2.200 109 R HA -0.116 4.224 4.340 0.001 0.000 0.234 109 R C 1.526 177.895 176.300 0.114 0.000 1.127 109 R CA 1.362 57.518 56.100 0.093 0.000 0.989 109 R CB -0.040 30.295 30.300 0.059 0.000 0.869 109 R HN 0.277 nan 8.270 nan 0.000 0.459 110 A N -0.055 122.830 122.820 0.109 0.000 2.035 110 A HA 0.113 4.434 4.320 0.001 0.000 0.208 110 A C 1.917 179.625 177.584 0.206 0.000 1.206 110 A CA -0.060 52.084 52.037 0.179 0.000 0.773 110 A CB 0.007 19.047 19.000 0.068 0.000 0.878 110 A HN 0.219 nan 8.150 nan 0.000 0.469 111 R N 0.171 120.780 120.500 0.182 0.000 2.081 111 R HA -0.122 4.219 4.340 0.001 0.000 0.235 111 R C 1.942 178.382 176.300 0.234 0.000 1.131 111 R CA 1.751 57.993 56.100 0.236 0.000 0.960 111 R CB -0.204 30.266 30.300 0.283 0.000 0.856 111 R HN 0.643 nan 8.270 nan 0.000 0.436 112 E N -0.119 120.192 120.200 0.185 0.000 2.046 112 E HA -0.114 4.237 4.350 0.001 0.000 0.190 112 E C 1.964 178.643 176.600 0.132 0.000 0.982 112 E CA 0.976 57.462 56.400 0.142 0.000 0.800 112 E CB -0.083 29.689 29.700 0.119 0.000 0.756 112 E HN 0.096 nan 8.360 nan 0.000 0.449 113 S N -0.372 115.432 115.700 0.173 0.000 2.420 113 S HA -0.222 4.249 4.470 0.001 0.000 0.237 113 S C 1.730 176.457 174.600 0.211 0.000 1.023 113 S CA 1.300 59.631 58.200 0.218 0.000 0.991 113 S CB -0.146 63.237 63.200 0.305 0.000 0.792 113 S HN 0.398 nan 8.310 nan 0.000 0.488 114 Y N 0.334 120.585 120.300 -0.080 0.000 2.353 114 Y HA 0.378 4.929 4.550 0.001 0.000 0.294 114 Y C 1.441 177.219 175.900 -0.203 0.000 1.135 114 Y CA 1.070 58.904 58.100 -0.444 0.000 1.176 114 Y CB 0.135 37.996 38.460 -0.999 0.000 1.124 114 Y HN 0.275 nan 8.280 nan 0.000 0.537 115 G N -0.846 107.923 108.800 -0.051 0.000 2.155 115 G HA2 -0.257 3.703 3.960 0.001 0.000 0.135 115 G HA3 -0.257 3.703 3.960 0.001 0.000 0.135 115 G C -0.673 174.312 174.900 0.142 0.000 1.023 115 G CA -0.230 44.833 45.100 -0.063 0.000 0.688 115 G HN 0.365 nan 8.290 nan 0.000 0.499 116 Y N 1.839 122.271 120.300 0.221 0.000 2.496 116 Y HA 0.376 4.926 4.550 0.001 0.000 0.334 116 Y C 1.175 177.265 175.900 0.317 0.000 1.080 116 Y CA 0.153 58.452 58.100 0.333 0.000 1.355 116 Y CB 0.571 39.136 38.460 0.174 0.000 1.193 116 Y HN 0.155 nan 8.280 nan 0.000 0.523 117 N N 3.900 122.662 118.700 0.104 0.000 2.314 117 N HA 0.094 4.835 4.740 0.001 0.000 0.200 117 N C 0.239 175.731 175.510 -0.029 0.000 1.135 117 N CA 0.284 53.305 53.050 -0.047 0.000 0.835 117 N CB 0.636 38.971 38.487 -0.254 0.000 0.989 117 N HN 0.743 nan 8.380 nan 0.000 0.478 118 G N -0.012 108.788 108.800 0.000 0.000 2.461 118 G HA2 0.407 4.368 3.960 0.001 0.000 0.329 118 G HA3 0.407 4.368 3.960 0.001 0.000 0.329 118 G C -0.775 174.351 174.900 0.377 0.000 1.170 118 G CA -0.453 44.780 45.100 0.221 0.000 0.935 118 G HN 0.001 nan 8.290 nan 0.000 0.492 119 D N -1.353 119.231 120.400 0.306 0.000 2.348 119 D HA 0.484 5.125 4.640 0.001 0.000 0.249 119 D C -0.998 175.527 176.300 0.375 0.000 1.110 119 D CA 0.127 54.298 54.000 0.286 0.000 0.967 119 D CB 1.375 42.284 40.800 0.182 0.000 1.139 119 D HN 0.383 nan 8.370 nan 0.000 0.466 120 Y N 1.253 121.687 120.300 0.224 0.000 2.396 120 Y HA 0.504 5.055 4.550 0.002 0.000 0.332 120 Y C -2.157 173.885 175.900 0.236 0.000 1.034 120 Y CA -1.447 56.744 58.100 0.152 0.000 1.057 120 Y CB 0.911 39.374 38.460 0.005 0.000 1.220 120 Y HN 0.406 nan 8.280 nan 0.000 0.440 121 F N 5.636 124.903 119.950 -1.139 0.000 2.619 121 F HA 0.660 5.188 4.527 0.001 0.000 0.308 121 F C -2.323 172.986 175.800 -0.819 0.000 1.097 121 F CA -1.651 55.742 58.000 -1.011 0.000 0.953 121 F CB 0.735 39.491 39.000 -0.408 0.000 1.287 121 F HN 0.536 nan 8.300 nan 0.000 0.446 122 L N 2.931 123.781 121.223 -0.622 0.000 2.397 122 L HA 0.715 5.056 4.340 0.001 0.000 0.271 122 L C -0.893 175.806 176.870 -0.285 0.000 1.148 122 L CA -0.249 54.386 54.840 -0.343 0.000 0.825 122 L CB 1.341 43.364 42.059 -0.061 0.000 1.117 122 L HN 0.618 nan 8.230 nan 0.000 0.456 123 V N 5.705 125.465 119.914 -0.256 0.000 2.289 123 V HA 0.145 4.266 4.120 0.001 0.000 0.272 123 V C -0.723 175.337 176.094 -0.057 0.000 1.026 123 V CA -0.610 61.585 62.300 -0.174 0.000 0.807 123 V CB 0.399 32.044 31.823 -0.297 0.000 1.044 123 V HN 0.659 nan 8.190 nan 0.000 0.443 124 Y N 8.363 128.607 120.300 -0.093 0.000 2.677 124 Y HA 0.204 4.754 4.550 0.001 0.000 0.335 124 Y C -1.822 174.035 175.900 -0.072 0.000 1.162 124 Y CA -1.585 56.471 58.100 -0.073 0.000 1.483 124 Y CB 0.960 39.380 38.460 -0.068 0.000 1.209 124 Y HN 0.410 nan 8.280 nan 0.000 0.528 125 P HA -0.010 nan 4.420 nan 0.000 0.279 125 P C 0.642 177.484 177.300 -0.763 0.000 1.318 125 P CA -0.084 62.708 63.100 -0.512 0.000 0.819 125 P CB 0.811 32.310 31.700 -0.335 0.000 0.927 126 I N 4.682 124.981 120.570 -0.450 0.000 2.229 126 I HA -0.327 3.843 4.170 0.001 0.000 0.250 126 I C 2.380 178.375 176.117 -0.203 0.000 1.096 126 I CA 1.946 63.099 61.300 -0.244 0.000 1.358 126 I CB -1.635 36.342 38.000 -0.039 0.000 1.047 126 I HN 0.447 nan 8.210 nan 0.000 0.422 127 K N 2.058 122.355 120.400 -0.172 0.000 2.097 127 K HA -0.235 4.086 4.320 0.001 0.000 0.214 127 K C 1.815 178.372 176.600 -0.071 0.000 1.052 127 K CA 2.635 58.886 56.287 -0.061 0.000 0.932 127 K CB -1.304 31.194 32.500 -0.004 0.000 0.716 127 K HN 0.379 nan 8.250 nan 0.000 0.455 128 V N -1.963 117.789 119.914 -0.270 0.000 3.241 128 V HA 0.029 4.150 4.120 0.001 0.000 0.269 128 V C 0.220 176.187 176.094 -0.211 0.000 1.151 128 V CA 0.821 62.813 62.300 -0.514 0.000 1.158 128 V CB -0.987 30.446 31.823 -0.649 0.000 0.764 128 V HN 0.597 nan 8.190 nan 0.000 0.508 129 N N -0.263 118.431 118.700 -0.010 0.000 5.698 129 N HA 0.066 4.807 4.740 0.001 0.000 0.140 129 N C -0.290 175.333 175.510 0.189 0.000 1.032 129 N CA -0.117 53.010 53.050 0.127 0.000 1.114 129 N CB 1.235 39.827 38.487 0.176 0.000 1.506 129 N HN 0.214 nan 8.380 nan 0.000 1.091 130 Q N 0.259 120.151 119.800 0.154 0.000 2.356 130 Q HA 0.181 4.522 4.340 0.001 0.000 0.205 130 Q C 0.246 176.348 176.000 0.170 0.000 0.901 130 Q CA 0.084 55.976 55.803 0.148 0.000 0.938 130 Q CB -0.057 28.745 28.738 0.107 0.000 1.081 130 Q HN 0.507 nan 8.270 nan 0.000 0.517 131 H N 1.614 120.737 119.070 0.088 0.000 3.140 131 H HA -0.054 4.504 4.556 0.002 0.000 0.316 131 H C 1.340 176.694 175.328 0.045 0.000 0.986 131 H CA 0.757 56.852 56.048 0.078 0.000 1.397 131 H CB 0.486 30.291 29.762 0.073 0.000 1.377 131 H HN 0.222 nan 8.280 nan 0.000 0.585 132 R N 4.399 125.053 120.500 0.256 0.000 2.134 132 R HA -0.280 4.061 4.340 0.001 0.000 0.248 132 R C 2.333 178.767 176.300 0.224 0.000 1.143 132 R CA 2.266 58.536 56.100 0.282 0.000 0.957 132 R CB -0.202 30.259 30.300 0.267 0.000 0.867 132 R HN 0.768 nan 8.270 nan 0.000 0.441 133 R N 0.087 120.824 120.500 0.395 0.000 2.113 133 R HA -0.165 4.176 4.340 0.001 0.000 0.244 133 R C 2.053 178.319 176.300 -0.058 0.000 1.142 133 R CA 2.388 58.541 56.100 0.088 0.000 0.953 133 R CB -0.424 29.818 30.300 -0.097 0.000 0.860 133 R HN 0.219 nan 8.270 nan 0.000 0.438 134 V N 1.441 121.288 119.914 -0.111 0.000 2.244 134 V HA -0.250 3.871 4.120 0.001 0.000 0.244 134 V C 2.528 178.419 176.094 -0.339 0.000 1.042 134 V CA 1.783 63.911 62.300 -0.286 0.000 1.006 134 V CB -0.528 31.128 31.823 -0.280 0.000 0.641 134 V HN 0.313 nan 8.190 nan 0.000 0.446 135 I N 0.192 120.579 120.570 -0.305 0.000 2.145 135 I HA -0.282 3.889 4.170 0.001 0.000 0.244 135 I C 2.543 178.438 176.117 -0.371 0.000 1.075 135 I CA 1.917 62.976 61.300 -0.402 0.000 1.332 135 I CB -1.339 36.202 38.000 -0.764 0.000 1.033 135 I HN 0.485 nan 8.210 nan 0.000 0.410 136 E N 0.800 120.820 120.200 -0.301 0.000 2.017 136 E HA -0.157 4.194 4.350 0.001 0.000 0.193 136 E C 2.352 178.847 176.600 -0.175 0.000 0.997 136 E CA 1.645 57.901 56.400 -0.240 0.000 0.804 136 E CB -0.041 29.632 29.700 -0.044 0.000 0.757 136 E HN 0.351 nan 8.360 nan 0.000 0.448 137 S N 0.997 116.646 115.700 -0.084 0.000 2.392 137 S HA -0.189 4.282 4.470 0.001 0.000 0.232 137 S C 1.990 176.553 174.600 -0.061 0.000 1.041 137 S CA 0.964 59.149 58.200 -0.025 0.000 1.026 137 S CB -0.230 62.931 63.200 -0.064 0.000 0.845 137 S HN 0.185 nan 8.310 nan 0.000 0.465 138 L N 0.569 121.695 121.223 -0.162 0.000 2.023 138 L HA -0.062 4.279 4.340 0.001 0.000 0.205 138 L C 2.314 179.129 176.870 -0.091 0.000 1.073 138 L CA 0.803 55.552 54.840 -0.150 0.000 0.745 138 L CB -0.575 41.327 42.059 -0.262 0.000 0.900 138 L HN 0.268 nan 8.230 nan 0.000 0.435 139 I N -0.118 120.365 120.570 -0.146 0.000 2.118 139 I HA -0.305 3.866 4.170 0.001 0.000 0.241 139 I C 1.933 178.033 176.117 -0.028 0.000 1.070 139 I CA 1.661 62.883 61.300 -0.129 0.000 1.327 139 I CB -1.279 36.565 38.000 -0.260 0.000 1.034 139 I HN 0.339 nan 8.210 nan 0.000 0.405 140 H N 0.560 119.638 119.070 0.012 0.000 3.068 140 H HA 0.183 4.740 4.556 0.001 0.000 0.297 140 H C 0.820 176.168 175.328 0.034 0.000 1.135 140 H CA -0.020 56.047 56.048 0.030 0.000 1.207 140 H CB -0.376 29.414 29.762 0.045 0.000 1.307 140 H HN 0.139 nan 8.280 nan 0.000 0.624 141 S N -1.533 114.242 115.700 0.124 0.000 2.759 141 S HA 0.525 4.996 4.470 0.001 0.000 0.310 141 S C 1.644 176.288 174.600 0.073 0.000 1.123 141 S CA -0.158 58.095 58.200 0.089 0.000 0.959 141 S CB 1.496 64.730 63.200 0.055 0.000 1.172 141 S HN 0.342 nan 8.310 nan 0.000 0.539 142 G N 0.271 109.108 108.800 0.061 0.000 2.603 142 G HA2 0.151 4.111 3.960 0.001 0.000 0.214 142 G HA3 0.151 4.111 3.960 0.001 0.000 0.214 142 G C 0.081 175.007 174.900 0.043 0.000 1.140 142 G CA 0.059 45.190 45.100 0.051 0.000 0.800 142 G HN 0.603 nan 8.290 nan 0.000 0.533 143 E N 1.458 121.684 120.200 0.044 0.000 2.366 143 E HA 0.245 4.596 4.350 0.001 0.000 0.266 143 E C -2.247 174.372 176.600 0.031 0.000 1.051 143 E CA -1.978 54.447 56.400 0.042 0.000 0.884 143 E CB 1.021 30.752 29.700 0.052 0.000 1.006 143 E HN 0.147 nan 8.360 nan 0.000 0.417 144 P HA 0.215 nan 4.420 nan 0.000 0.281 144 P C -0.695 176.656 177.300 0.086 0.000 1.252 144 P CA -0.440 62.660 63.100 0.000 0.000 0.778 144 P CB 0.633 32.288 31.700 -0.076 0.000 0.895 145 L N 0.917 122.211 121.223 0.119 0.000 2.540 145 L HA 0.918 5.259 4.340 0.001 0.000 0.256 145 L C -0.629 176.380 176.870 0.230 0.000 1.001 145 L CA -0.947 54.019 54.840 0.210 0.000 0.843 145 L CB 1.095 43.203 42.059 0.082 0.000 1.436 145 L HN 0.526 nan 8.230 nan 0.000 0.410 146 G N 0.692 109.627 108.800 0.224 0.000 2.735 146 G HA2 0.775 4.736 3.960 0.001 0.000 0.301 146 G HA3 0.775 4.736 3.960 0.001 0.000 0.301 146 G C -1.571 173.372 174.900 0.073 0.000 1.279 146 G CA -0.881 44.321 45.100 0.170 0.000 1.019 146 G HN 0.643 nan 8.290 nan 0.000 0.497 147 L N -0.050 121.198 121.223 0.043 0.000 2.410 147 L HA 0.506 4.847 4.340 0.001 0.000 0.270 147 L C -0.393 176.464 176.870 -0.021 0.000 0.983 147 L CA -0.630 54.226 54.840 0.027 0.000 0.822 147 L CB 2.551 44.632 42.059 0.037 0.000 1.285 147 L HN 0.610 nan 8.230 nan 0.000 0.409 148 E N 2.307 122.464 120.200 -0.070 0.000 2.171 148 E HA 0.725 5.075 4.350 0.001 0.000 0.271 148 E C -1.275 175.281 176.600 -0.074 0.000 0.916 148 E CA -0.720 55.621 56.400 -0.098 0.000 0.774 148 E CB 1.954 31.554 29.700 -0.166 0.000 1.128 148 E HN 0.663 nan 8.360 nan 0.000 0.403 149 A N 2.933 125.739 122.820 -0.023 0.000 2.303 149 A HA 0.561 4.881 4.320 0.001 0.000 0.320 149 A C 0.489 178.091 177.584 0.029 0.000 1.192 149 A CA -0.246 51.800 52.037 0.016 0.000 0.821 149 A CB 1.318 20.367 19.000 0.083 0.000 1.188 149 A HN 0.740 nan 8.150 nan 0.000 0.492 150 G N 0.886 109.680 108.800 -0.009 0.000 3.284 150 G HA2 0.421 4.382 3.960 0.001 0.000 0.236 150 G HA3 0.421 4.382 3.960 0.001 0.000 0.236 150 G C 0.369 175.260 174.900 -0.016 0.000 1.158 150 G CA 0.761 45.856 45.100 -0.009 0.000 0.774 150 G HN 1.591 nan 8.290 nan 0.000 0.545 151 S N -2.022 113.613 115.700 -0.109 0.000 2.636 151 S HA 0.335 4.806 4.470 0.001 0.000 0.266 151 S C 0.519 174.695 174.600 -0.706 0.000 1.147 151 S CA -0.476 57.512 58.200 -0.352 0.000 0.815 151 S CB 1.480 64.577 63.200 -0.173 0.000 1.119 151 S HN -0.031 nan 8.310 nan 0.000 0.470 152 K N 0.277 120.121 120.400 -0.928 0.000 2.057 152 K HA -0.014 4.307 4.320 0.001 0.000 0.207 152 K C 2.182 178.626 176.600 -0.260 0.000 1.049 152 K CA 1.535 57.389 56.287 -0.723 0.000 0.931 152 K CB -0.849 31.393 32.500 -0.429 0.000 0.714 152 K HN 0.702 nan 8.250 nan 0.000 0.440 153 A N 1.737 124.446 122.820 -0.185 0.000 1.883 153 A HA -0.223 4.098 4.320 0.001 0.000 0.217 153 A C 1.864 179.418 177.584 -0.050 0.000 1.186 153 A CA 1.877 53.864 52.037 -0.083 0.000 0.624 153 A CB -0.541 18.425 19.000 -0.058 0.000 0.822 153 A HN 0.491 nan 8.150 nan 0.000 0.444 154 E N -0.708 119.457 120.200 -0.058 0.000 2.077 154 E HA -0.190 4.161 4.350 0.001 0.000 0.193 154 E C 1.961 178.572 176.600 0.018 0.000 0.989 154 E CA 1.175 57.569 56.400 -0.010 0.000 0.800 154 E CB -0.358 29.334 29.700 -0.014 0.000 0.746 154 E HN 0.507 nan 8.360 nan 0.000 0.452 155 L N 0.824 122.058 121.223 0.017 0.000 2.081 155 L HA -0.204 4.137 4.340 0.001 0.000 0.212 155 L C 2.342 179.253 176.870 0.069 0.000 1.080 155 L CA 1.662 56.556 54.840 0.090 0.000 0.754 155 L CB -0.408 41.781 42.059 0.217 0.000 0.893 155 L HN 0.094 nan 8.230 nan 0.000 0.433 156 M N -0.399 119.224 119.600 0.039 0.000 2.065 156 M HA -0.148 4.333 4.480 0.001 0.000 0.259 156 M C 2.254 178.571 176.300 0.028 0.000 1.069 156 M CA 2.238 57.557 55.300 0.031 0.000 1.110 156 M CB -0.699 31.906 32.600 0.009 0.000 1.328 156 M HN 0.350 nan 8.290 nan 0.000 0.405 157 A N -1.146 121.693 122.820 0.032 0.000 1.940 157 A HA -0.121 4.200 4.320 0.001 0.000 0.219 157 A C 2.162 179.813 177.584 0.111 0.000 1.176 157 A CA 1.998 54.064 52.037 0.049 0.000 0.631 157 A CB -1.251 17.803 19.000 0.090 0.000 0.814 157 A HN 0.393 nan 8.150 nan 0.000 0.446 158 V N -0.476 119.502 119.914 0.107 0.000 2.270 158 V HA -0.222 3.898 4.120 0.001 0.000 0.245 158 V C 2.446 178.583 176.094 0.072 0.000 1.043 158 V CA 1.833 64.197 62.300 0.107 0.000 1.014 158 V CB -0.814 31.047 31.823 0.062 0.000 0.645 158 V HN 0.475 nan 8.190 nan 0.000 0.447 159 L N 0.388 121.644 121.223 0.056 0.000 2.127 159 L HA -0.160 4.181 4.340 0.001 0.000 0.211 159 L C 2.513 179.423 176.870 0.067 0.000 1.089 159 L CA 2.160 57.042 54.840 0.069 0.000 0.757 159 L CB -1.258 40.858 42.059 0.094 0.000 0.899 159 L HN 0.312 nan 8.230 nan 0.000 0.434 160 A N -1.426 121.407 122.820 0.022 0.000 1.835 160 A HA -0.233 4.088 4.320 0.001 0.000 0.215 160 A C 2.247 179.802 177.584 -0.049 0.000 1.199 160 A CA 1.582 53.591 52.037 -0.045 0.000 0.615 160 A CB -0.874 18.041 19.000 -0.141 0.000 0.838 160 A HN 0.483 nan 8.150 nan 0.000 0.444 161 H N -0.184 118.896 119.070 0.017 0.000 2.387 161 H HA -0.103 4.454 4.556 0.002 0.000 0.299 161 H C 2.535 177.861 175.328 -0.004 0.000 1.099 161 H CA 1.402 57.450 56.048 0.001 0.000 1.315 161 H CB -0.570 29.185 29.762 -0.012 0.000 1.380 161 H HN 0.527 nan 8.280 nan 0.000 0.513 162 A N 0.573 123.458 122.820 0.107 0.000 1.842 162 A HA 0.017 4.338 4.320 0.001 0.000 0.217 162 A C 1.861 179.516 177.584 0.117 0.000 1.206 162 A CA 2.217 54.281 52.037 0.044 0.000 0.630 162 A CB -1.048 17.887 19.000 -0.108 0.000 0.839 162 A HN 0.674 nan 8.150 nan 0.000 0.447 163 G N -2.718 106.172 108.800 0.150 0.000 2.488 163 G HA2 -0.183 3.778 3.960 0.001 0.000 0.237 163 G HA3 -0.183 3.778 3.960 0.001 0.000 0.237 163 G C 0.318 175.319 174.900 0.169 0.000 1.209 163 G CA 0.318 45.499 45.100 0.136 0.000 0.929 163 G HN 0.622 nan 8.290 nan 0.000 0.578 164 M N 1.650 121.316 119.600 0.110 0.000 2.494 164 M HA 0.278 4.759 4.480 0.001 0.000 0.232 164 M C 0.944 177.299 176.300 0.092 0.000 1.137 164 M CA 0.766 56.106 55.300 0.067 0.000 1.012 164 M CB 0.360 32.980 32.600 0.033 0.000 1.567 164 M HN 0.357 nan 8.290 nan 0.000 0.486 165 T N 1.438 116.087 114.554 0.158 0.000 2.739 165 T HA 0.200 4.551 4.350 0.001 0.000 0.298 165 T C 0.349 175.186 174.700 0.229 0.000 0.929 165 T CA -0.569 61.617 62.100 0.145 0.000 1.014 165 T CB 0.389 69.326 68.868 0.116 0.000 0.914 165 T HN 0.234 nan 8.240 nan 0.000 0.509 166 R N 3.371 123.979 120.500 0.180 0.000 2.723 166 R HA 0.062 4.403 4.340 0.001 0.000 0.358 166 R C -0.190 176.232 176.300 0.204 0.000 0.966 166 R CA 0.312 56.570 56.100 0.263 0.000 1.022 166 R CB -0.197 30.172 30.300 0.114 0.000 0.945 166 R HN 0.465 nan 8.270 nan 0.000 0.420 167 S N 2.307 118.114 115.700 0.178 0.000 2.621 167 S HA 0.409 4.879 4.470 0.001 0.000 0.302 167 S C -0.704 173.892 174.600 -0.007 0.000 1.093 167 S CA -0.727 57.470 58.200 -0.006 0.000 1.017 167 S CB 1.789 64.928 63.200 -0.101 0.000 1.077 167 S HN 0.348 nan 8.310 nan 0.000 0.517 168 V N 3.980 123.926 119.914 0.052 0.000 2.432 168 V HA 0.441 4.562 4.120 0.001 0.000 0.271 168 V C -0.242 175.922 176.094 0.117 0.000 1.046 168 V CA -0.054 62.336 62.300 0.149 0.000 0.945 168 V CB 0.364 32.346 31.823 0.265 0.000 0.992 168 V HN 0.639 nan 8.190 nan 0.000 0.471 169 I N 4.986 125.632 120.570 0.126 0.000 2.608 169 I HA 0.612 4.783 4.170 0.001 0.000 0.295 169 I C -0.769 175.424 176.117 0.127 0.000 1.049 169 I CA -0.908 60.438 61.300 0.075 0.000 1.063 169 I CB 2.329 40.339 38.000 0.017 0.000 1.248 169 I HN 0.416 nan 8.210 nan 0.000 0.424 170 V N 5.712 125.652 119.914 0.044 0.000 2.638 170 V HA 0.495 4.616 4.120 0.001 0.000 0.306 170 V C -0.965 175.107 176.094 -0.036 0.000 1.052 170 V CA -0.246 62.058 62.300 0.007 0.000 0.885 170 V CB 1.564 33.314 31.823 -0.121 0.000 0.999 170 V HN 0.902 nan 8.190 nan 0.000 0.424 171 C N 6.562 125.835 119.300 -0.045 0.000 2.281 171 C HA 0.688 5.149 4.460 0.001 0.000 0.325 171 C C 0.322 175.249 174.990 -0.105 0.000 1.282 171 C CA -0.391 58.596 59.018 -0.051 0.000 1.640 171 C CB 0.051 27.692 27.740 -0.164 0.000 2.288 171 C HN 1.010 nan 8.230 nan 0.000 0.507 172 N N 0.207 118.875 118.700 -0.054 0.000 2.890 172 N HA 0.834 5.575 4.740 0.001 0.000 0.317 172 N C 0.102 175.550 175.510 -0.105 0.000 1.355 172 N CA 0.871 53.830 53.050 -0.151 0.000 0.803 172 N CB 1.303 39.676 38.487 -0.189 0.000 1.465 172 N HN 1.177 nan 8.380 nan 0.000 0.591 173 G N -0.753 107.796 108.800 -0.418 0.000 2.795 173 G HA2 -0.230 3.731 3.960 0.001 0.000 0.664 173 G HA3 -0.230 3.731 3.960 0.001 0.000 0.664 173 G C -1.171 173.650 174.900 -0.132 0.000 1.381 173 G CA -0.745 44.146 45.100 -0.347 0.000 0.853 173 G HN 0.503 nan 8.290 nan 0.000 0.545 174 Y N 1.502 121.915 120.300 0.188 0.000 2.620 174 Y HA 0.444 4.994 4.550 0.001 0.000 0.330 174 Y C 1.199 177.254 175.900 0.260 0.000 1.186 174 Y CA 0.927 59.218 58.100 0.319 0.000 1.467 174 Y CB 0.502 39.163 38.460 0.335 0.000 1.262 174 Y HN 0.488 nan 8.280 nan 0.000 0.550 175 K N 5.330 125.750 120.400 0.033 0.000 2.259 175 K HA 0.335 4.656 4.320 0.001 0.000 0.252 175 K C -1.146 175.537 176.600 0.138 0.000 0.936 175 K CA -1.044 55.359 56.287 0.194 0.000 0.810 175 K CB 1.647 34.124 32.500 -0.038 0.000 1.143 175 K HN 0.638 nan 8.250 nan 0.000 0.427 176 D N 0.503 121.039 120.400 0.226 0.000 2.727 176 D HA 0.288 4.928 4.640 0.001 0.000 0.264 176 D C 0.657 177.031 176.300 0.123 0.000 1.101 176 D CA -0.694 53.407 54.000 0.168 0.000 1.122 176 D CB 0.719 41.633 40.800 0.189 0.000 1.390 176 D HN 0.139 nan 8.370 nan 0.000 0.606 177 R N 0.103 120.659 120.500 0.094 0.000 2.113 177 R HA -0.179 4.162 4.340 0.001 0.000 0.231 177 R C 1.939 178.291 176.300 0.086 0.000 1.129 177 R CA 1.928 58.070 56.100 0.069 0.000 0.915 177 R CB -1.093 29.240 30.300 0.056 0.000 0.837 177 R HN 0.653 nan 8.270 nan 0.000 0.430 178 E N -0.123 120.134 120.200 0.096 0.000 2.113 178 E HA -0.262 4.089 4.350 0.001 0.000 0.210 178 E C 1.905 178.605 176.600 0.166 0.000 1.040 178 E CA 1.792 58.254 56.400 0.104 0.000 0.847 178 E CB -0.392 29.360 29.700 0.087 0.000 0.755 178 E HN 0.325 nan 8.360 nan 0.000 0.459 179 Y N 0.545 120.861 120.300 0.027 0.000 2.133 179 Y HA -0.163 4.387 4.550 0.000 0.000 0.287 179 Y C 2.005 177.911 175.900 0.010 0.000 1.134 179 Y CA 1.295 59.407 58.100 0.020 0.000 1.133 179 Y CB -0.547 37.929 38.460 0.027 0.000 0.987 179 Y HN 0.079 nan 8.280 nan 0.000 0.502 180 I N 0.421 120.993 120.570 0.004 0.000 2.194 180 I HA -0.327 3.844 4.170 0.001 0.000 0.246 180 I C 2.481 178.570 176.117 -0.047 0.000 1.093 180 I CA 1.427 62.658 61.300 -0.116 0.000 1.355 180 I CB -1.138 36.821 38.000 -0.069 0.000 1.046 180 I HN 0.246 nan 8.210 nan 0.000 0.413 181 R N 0.472 120.980 120.500 0.015 0.000 2.088 181 R HA -0.195 4.146 4.340 0.001 0.000 0.232 181 R C 2.291 178.608 176.300 0.029 0.000 1.136 181 R CA 1.234 57.346 56.100 0.021 0.000 0.926 181 R CB -1.356 28.966 30.300 0.037 0.000 0.837 181 R HN 0.262 nan 8.270 nan 0.000 0.429 182 L N 1.094 122.358 121.223 0.067 0.000 2.021 182 L HA -0.227 4.114 4.340 0.001 0.000 0.215 182 L C 2.351 179.258 176.870 0.062 0.000 1.074 182 L CA 2.299 57.188 54.840 0.082 0.000 0.760 182 L CB -0.856 41.287 42.059 0.139 0.000 0.889 182 L HN 0.257 nan 8.230 nan 0.000 0.433 183 A N -0.605 122.233 122.820 0.030 0.000 1.865 183 A HA -0.220 4.101 4.320 0.001 0.000 0.217 183 A C 2.271 179.843 177.584 -0.021 0.000 1.191 183 A CA 2.227 54.249 52.037 -0.025 0.000 0.623 183 A CB -1.030 17.873 19.000 -0.160 0.000 0.826 183 A HN 0.524 nan 8.150 nan 0.000 0.444 184 L N -0.630 120.574 121.223 -0.032 0.000 2.083 184 L HA -0.169 4.172 4.340 0.001 0.000 0.209 184 L C 2.398 179.262 176.870 -0.010 0.000 1.083 184 L CA 1.193 56.016 54.840 -0.028 0.000 0.752 184 L CB -0.534 41.507 42.059 -0.029 0.000 0.899 184 L HN 0.387 nan 8.230 nan 0.000 0.433 185 I N -0.208 120.365 120.570 0.005 0.000 2.614 185 I HA -0.163 4.008 4.170 0.001 0.000 0.258 185 I C 2.469 178.596 176.117 0.017 0.000 1.189 185 I CA 1.144 62.450 61.300 0.010 0.000 1.462 185 I CB -0.656 37.356 38.000 0.020 0.000 1.092 185 I HN 0.260 nan 8.210 nan 0.000 0.442 186 G N 0.233 109.056 108.800 0.038 0.000 2.464 186 G HA2 -0.215 3.746 3.960 0.001 0.000 0.217 186 G HA3 -0.215 3.746 3.960 0.001 0.000 0.217 186 G C 1.521 176.455 174.900 0.056 0.000 1.138 186 G CA 0.397 45.544 45.100 0.078 0.000 0.793 186 G HN 0.288 nan 8.290 nan 0.000 0.539 187 E N 0.898 121.108 120.200 0.016 0.000 2.046 187 E HA -0.055 4.295 4.350 0.001 0.000 0.190 187 E C 2.287 178.872 176.600 -0.025 0.000 0.982 187 E CA 1.092 57.485 56.400 -0.011 0.000 0.800 187 E CB -0.160 29.514 29.700 -0.043 0.000 0.756 187 E HN 0.223 nan 8.360 nan 0.000 0.449 188 K N -0.354 120.030 120.400 -0.025 0.000 2.209 188 K HA -0.053 4.267 4.320 0.001 0.000 0.204 188 K C 1.859 178.433 176.600 -0.043 0.000 1.048 188 K CA 1.144 57.413 56.287 -0.030 0.000 0.940 188 K CB -0.300 32.186 32.500 -0.023 0.000 0.729 188 K HN 0.169 nan 8.250 nan 0.000 0.451 189 M N -1.328 118.240 119.600 -0.053 0.000 2.374 189 M HA 0.066 4.547 4.480 0.001 0.000 0.264 189 M C 1.205 177.409 176.300 -0.159 0.000 1.067 189 M CA 1.613 56.853 55.300 -0.100 0.000 1.103 189 M CB 0.220 32.753 32.600 -0.112 0.000 1.402 189 M HN 0.394 nan 8.290 nan 0.000 0.444 190 G N -2.569 106.157 108.800 -0.122 0.000 2.796 190 G HA2 -0.180 3.781 3.960 0.001 0.000 0.198 190 G HA3 -0.180 3.781 3.960 0.001 0.000 0.198 190 G C 0.049 174.921 174.900 -0.046 0.000 1.062 190 G CA -0.187 44.846 45.100 -0.112 0.000 0.752 190 G HN 0.524 nan 8.290 nan 0.000 0.487 191 H N 1.455 120.522 119.070 -0.005 0.000 3.038 191 H HA 0.305 4.862 4.556 0.002 0.000 0.338 191 H C 0.540 175.856 175.328 -0.020 0.000 1.041 191 H CA 0.729 56.778 56.048 0.001 0.000 1.394 191 H CB 0.735 30.506 29.762 0.016 0.000 1.357 191 H HN 0.191 nan 8.280 nan 0.000 0.600 192 K N 3.566 124.042 120.400 0.128 0.000 2.142 192 K HA 0.186 4.507 4.320 0.001 0.000 0.250 192 K C -1.094 175.504 176.600 -0.003 0.000 1.148 192 K CA -0.297 55.993 56.287 0.005 0.000 1.040 192 K CB 0.180 32.703 32.500 0.037 0.000 1.569 192 K HN 0.243 nan 8.250 nan 0.000 0.361 193 V N 5.558 125.440 119.914 -0.052 0.000 2.370 193 V HA 0.310 4.431 4.120 0.001 0.000 0.279 193 V C -1.267 174.756 176.094 -0.118 0.000 1.029 193 V CA -0.588 61.708 62.300 -0.006 0.000 0.870 193 V CB 0.385 32.222 31.823 0.024 0.000 0.984 193 V HN 0.480 nan 8.190 nan 0.000 0.451 194 Y N 6.258 126.546 120.300 -0.021 0.000 2.327 194 Y HA 0.515 5.066 4.550 0.002 0.000 0.336 194 Y C 0.053 175.904 175.900 -0.082 0.000 1.035 194 Y CA -0.713 57.363 58.100 -0.040 0.000 1.165 194 Y CB 1.544 39.981 38.460 -0.037 0.000 1.181 194 Y HN 0.523 nan 8.280 nan 0.000 0.494 195 L N 5.339 126.577 121.223 0.025 0.000 2.287 195 L HA 0.400 4.741 4.340 0.001 0.000 0.280 195 L C -0.756 176.086 176.870 -0.048 0.000 1.055 195 L CA -0.607 54.193 54.840 -0.067 0.000 0.863 195 L CB 0.147 42.140 42.059 -0.110 0.000 1.245 195 L HN 0.414 nan 8.230 nan 0.000 0.432 196 V N 6.016 125.891 119.914 -0.065 0.000 2.450 196 V HA 0.073 4.194 4.120 0.001 0.000 0.281 196 V C 0.734 176.791 176.094 -0.061 0.000 1.019 196 V CA -0.244 62.026 62.300 -0.048 0.000 1.062 196 V CB 0.337 32.116 31.823 -0.075 0.000 0.979 196 V HN 0.387 nan 8.190 nan 0.000 0.477 197 I N 5.723 126.280 120.570 -0.022 0.000 2.436 197 I HA 0.197 4.367 4.170 0.001 0.000 0.289 197 I C 1.015 177.132 176.117 0.000 0.000 1.083 197 I CA 0.553 61.840 61.300 -0.022 0.000 1.372 197 I CB 0.358 38.359 38.000 0.002 0.000 1.408 197 I HN 0.768 nan 8.210 nan 0.000 0.516 198 E N 5.436 125.631 120.200 -0.008 0.000 2.812 198 E HA 0.251 4.602 4.350 0.001 0.000 0.211 198 E C -0.100 176.570 176.600 0.118 0.000 0.986 198 E CA -0.214 56.223 56.400 0.062 0.000 1.119 198 E CB 0.939 30.653 29.700 0.024 0.000 1.046 198 E HN 0.439 nan 8.360 nan 0.000 0.474 199 K N 0.933 121.364 120.400 0.051 0.000 2.584 199 K HA 0.151 4.472 4.320 0.001 0.000 0.260 199 K C 0.381 176.992 176.600 0.018 0.000 0.949 199 K CA -0.405 55.910 56.287 0.046 0.000 0.888 199 K CB 0.987 33.497 32.500 0.017 0.000 1.330 199 K HN -0.134 nan 8.250 nan 0.000 0.432 200 M N 1.195 120.815 119.600 0.033 0.000 2.089 200 M HA -0.171 4.310 4.480 0.001 0.000 0.257 200 M C 1.858 178.166 176.300 0.014 0.000 1.071 200 M CA 2.563 57.880 55.300 0.028 0.000 1.096 200 M CB -1.291 31.332 32.600 0.038 0.000 1.330 200 M HN 0.772 nan 8.290 nan 0.000 0.403 201 S N -0.733 114.974 115.700 0.012 0.000 2.465 201 S HA -0.159 4.311 4.470 0.001 0.000 0.241 201 S C 1.590 176.181 174.600 -0.015 0.000 1.000 201 S CA 1.314 59.518 58.200 0.007 0.000 0.964 201 S CB -0.602 62.610 63.200 0.020 0.000 0.763 201 S HN 0.576 nan 8.310 nan 0.000 0.512 202 E N 0.533 120.711 120.200 -0.037 0.000 2.072 202 E HA 0.008 4.359 4.350 0.001 0.000 0.190 202 E C 1.895 178.472 176.600 -0.038 0.000 0.982 202 E CA 0.873 57.238 56.400 -0.059 0.000 0.803 202 E CB -0.272 29.374 29.700 -0.091 0.000 0.755 202 E HN 0.503 nan 8.360 nan 0.000 0.453 203 I N 1.437 121.994 120.570 -0.022 0.000 2.423 203 I HA -0.250 3.920 4.170 0.001 0.000 0.254 203 I C 2.027 178.139 176.117 -0.009 0.000 1.151 203 I CA 1.081 62.373 61.300 -0.013 0.000 1.421 203 I CB -0.328 37.672 38.000 0.001 0.000 1.079 203 I HN -0.000 nan 8.210 nan 0.000 0.431 204 A N 0.490 123.307 122.820 -0.004 0.000 1.873 204 A HA -0.155 4.166 4.320 0.001 0.000 0.215 204 A C 2.343 179.925 177.584 -0.003 0.000 1.186 204 A CA 2.040 54.077 52.037 0.001 0.000 0.616 204 A CB -0.898 18.106 19.000 0.007 0.000 0.823 204 A HN 0.473 nan 8.150 nan 0.000 0.442 205 I N 0.372 120.937 120.570 -0.008 0.000 2.113 205 I HA -0.233 3.938 4.170 0.001 0.000 0.238 205 I C 2.580 178.687 176.117 -0.016 0.000 1.070 205 I CA 1.622 62.917 61.300 -0.008 0.000 1.332 205 I CB -0.555 37.440 38.000 -0.009 0.000 1.044 205 I HN 0.339 nan 8.210 nan 0.000 0.402 206 V N -0.613 119.283 119.914 -0.030 0.000 2.380 206 V HA -0.276 3.845 4.120 0.001 0.000 0.251 206 V C 2.405 178.483 176.094 -0.026 0.000 1.063 206 V CA 1.647 63.924 62.300 -0.038 0.000 1.055 206 V CB -1.013 30.780 31.823 -0.051 0.000 0.657 206 V HN 0.269 nan 8.190 nan 0.000 0.455 207 L N 1.112 122.325 121.223 -0.018 0.000 2.005 207 L HA -0.118 4.223 4.340 0.001 0.000 0.207 207 L C 2.580 179.445 176.870 -0.008 0.000 1.072 207 L CA 2.501 57.334 54.840 -0.011 0.000 0.744 207 L CB -1.174 40.882 42.059 -0.006 0.000 0.895 207 L HN 0.544 nan 8.230 nan 0.000 0.433 208 D N -0.621 119.776 120.400 -0.005 0.000 2.097 208 D HA -0.211 4.430 4.640 0.001 0.000 0.195 208 D C 1.671 177.970 176.300 -0.003 0.000 0.989 208 D CA 1.110 55.109 54.000 -0.002 0.000 0.827 208 D CB 0.278 41.079 40.800 0.002 0.000 0.966 208 D HN 0.304 nan 8.370 nan 0.000 0.456 209 E N 0.257 120.454 120.200 -0.005 0.000 2.268 209 E HA -0.072 4.279 4.350 0.001 0.000 0.195 209 E C 1.908 178.502 176.600 -0.009 0.000 0.995 209 E CA 0.513 56.909 56.400 -0.005 0.000 0.836 209 E CB -0.114 29.582 29.700 -0.007 0.000 0.763 209 E HN 0.374 nan 8.360 nan 0.000 0.491 210 A N 1.291 124.103 122.820 -0.013 0.000 1.929 210 A HA -0.135 4.186 4.320 0.001 0.000 0.216 210 A C 1.940 179.517 177.584 -0.011 0.000 1.176 210 A CA 0.994 53.021 52.037 -0.016 0.000 0.628 210 A CB -0.043 18.946 19.000 -0.019 0.000 0.816 210 A HN 0.013 nan 8.150 nan 0.000 0.444 211 E N 0.173 120.369 120.200 -0.008 0.000 2.112 211 E HA -0.069 4.282 4.350 0.001 0.000 0.190 211 E C 2.158 178.756 176.600 -0.004 0.000 0.979 211 E CA 0.637 57.034 56.400 -0.005 0.000 0.814 211 E CB -0.407 29.291 29.700 -0.003 0.000 0.762 211 E HN 0.583 nan 8.360 nan 0.000 0.460 212 R N 0.348 120.847 120.500 -0.002 0.000 2.081 212 R HA -0.003 4.338 4.340 0.001 0.000 0.235 212 R C 2.277 178.576 176.300 -0.001 0.000 1.131 212 R CA 0.906 57.006 56.100 -0.000 0.000 0.960 212 R CB -0.278 30.023 30.300 0.002 0.000 0.856 212 R HN 0.157 nan 8.270 nan 0.000 0.436 213 L N 0.824 122.045 121.223 -0.003 0.000 2.591 213 L HA 0.046 4.386 4.340 0.001 0.000 0.228 213 L C 0.344 177.210 176.870 -0.007 0.000 1.133 213 L CA -0.193 54.644 54.840 -0.005 0.000 0.880 213 L CB -0.322 41.734 42.059 -0.006 0.000 1.033 213 L HN 0.303 nan 8.230 nan 0.000 0.450 214 N N 1.463 120.159 118.700 -0.007 0.000 2.614 214 N HA -0.177 4.563 4.740 0.001 0.000 0.276 214 N C -1.355 174.147 175.510 -0.012 0.000 1.119 214 N CA 0.325 53.369 53.050 -0.009 0.000 0.742 214 N CB -0.422 38.060 38.487 -0.007 0.000 0.900 214 N HN 0.038 nan 8.380 nan 0.000 0.549 215 V N 1.661 121.566 119.914 -0.015 0.000 2.851 215 V HA 0.286 4.407 4.120 0.001 0.000 0.307 215 V C 0.155 176.235 176.094 -0.023 0.000 1.129 215 V CA -1.043 61.245 62.300 -0.020 0.000 0.932 215 V CB 1.982 33.791 31.823 -0.023 0.000 1.024 215 V HN 0.156 nan 8.190 nan 0.000 0.426 216 V N 7.198 127.096 119.914 -0.026 0.000 2.397 216 V HA 0.361 4.481 4.120 0.001 0.000 0.262 216 V C -1.711 174.359 176.094 -0.040 0.000 1.047 216 V CA -1.102 61.182 62.300 -0.028 0.000 1.003 216 V CB 0.987 32.795 31.823 -0.026 0.000 1.037 216 V HN 0.854 nan 8.190 nan 0.000 0.480 217 P HA 0.172 nan 4.420 nan 0.000 0.271 217 P C -0.827 176.435 177.300 -0.063 0.000 1.220 217 P CA -0.192 62.878 63.100 -0.050 0.000 0.768 217 P CB 0.523 32.200 31.700 -0.039 0.000 0.848 218 R N 4.801 125.240 120.500 -0.101 0.000 2.275 218 R HA 0.513 4.853 4.340 0.001 0.000 0.326 218 R C -0.397 175.831 176.300 -0.121 0.000 0.973 218 R CA -0.643 55.365 56.100 -0.153 0.000 0.854 218 R CB 0.165 30.284 30.300 -0.302 0.000 1.156 218 R HN 0.601 nan 8.270 nan 0.000 0.487 219 L N 0.502 121.713 121.223 -0.020 0.000 2.359 219 L HA 0.941 5.282 4.340 0.001 0.000 0.256 219 L C -0.745 176.202 176.870 0.128 0.000 1.026 219 L CA -0.998 53.870 54.840 0.045 0.000 0.828 219 L CB 2.244 44.305 42.059 0.004 0.000 1.406 219 L HN 0.591 nan 8.230 nan 0.000 0.413 220 G N -0.042 108.837 108.800 0.131 0.000 2.685 220 G HA2 0.645 4.606 3.960 0.001 0.000 0.298 220 G HA3 0.645 4.606 3.960 0.001 0.000 0.298 220 G C -1.743 173.203 174.900 0.078 0.000 1.277 220 G CA -0.774 44.402 45.100 0.126 0.000 0.986 220 G HN 0.607 nan 8.290 nan 0.000 0.487 221 V N 0.061 120.028 119.914 0.088 0.000 2.735 221 V HA 0.784 4.905 4.120 0.001 0.000 0.310 221 V C -0.904 175.234 176.094 0.073 0.000 1.061 221 V CA -1.167 61.174 62.300 0.069 0.000 0.913 221 V CB 1.974 33.836 31.823 0.064 0.000 1.005 221 V HN 0.676 nan 8.190 nan 0.000 0.428 222 R N 4.690 125.222 120.500 0.053 0.000 2.288 222 R HA 0.725 5.065 4.340 0.001 0.000 0.326 222 R C -0.538 175.731 176.300 -0.052 0.000 0.959 222 R CA -0.089 56.025 56.100 0.023 0.000 0.834 222 R CB 1.134 31.475 30.300 0.069 0.000 1.157 222 R HN 0.874 nan 8.270 nan 0.000 0.470 223 A N 5.107 127.815 122.820 -0.188 0.000 2.306 223 A HA 0.514 4.835 4.320 0.001 0.000 0.314 223 A C -0.084 177.357 177.584 -0.237 0.000 1.164 223 A CA -0.669 51.168 52.037 -0.333 0.000 0.822 223 A CB 0.723 19.134 19.000 -0.982 0.000 1.130 223 A HN 0.764 nan 8.150 nan 0.000 0.496 224 R N 0.818 121.281 120.500 -0.062 0.000 2.543 224 R HA 0.422 4.762 4.340 0.001 0.000 0.277 224 R C -0.801 175.571 176.300 0.120 0.000 1.074 224 R CA 0.102 56.235 56.100 0.056 0.000 1.076 224 R CB 0.367 30.745 30.300 0.130 0.000 0.993 224 R HN 0.634 nan 8.270 nan 0.000 0.459 225 L N 1.192 122.497 121.223 0.138 0.000 2.334 225 L HA 0.445 4.786 4.340 0.001 0.000 0.273 225 L C 0.725 177.727 176.870 0.219 0.000 1.013 225 L CA -0.585 54.368 54.840 0.189 0.000 0.816 225 L CB 1.888 44.004 42.059 0.094 0.000 1.278 225 L HN 0.741 nan 8.230 nan 0.000 0.431 226 A N 0.554 123.506 122.820 0.221 0.000 2.308 226 A HA 0.021 4.341 4.320 0.001 0.000 0.217 226 A C 2.027 179.694 177.584 0.139 0.000 1.216 226 A CA 0.697 52.867 52.037 0.222 0.000 0.864 226 A CB 0.013 19.096 19.000 0.139 0.000 0.902 226 A HN 0.807 nan 8.150 nan 0.000 0.499 227 S N 0.159 115.920 115.700 0.102 0.000 2.356 227 S HA -0.304 4.167 4.470 0.001 0.000 0.223 227 S C 2.127 176.767 174.600 0.066 0.000 1.032 227 S CA 1.938 60.176 58.200 0.064 0.000 1.005 227 S CB -0.422 62.801 63.200 0.040 0.000 0.867 227 S HN 0.692 nan 8.310 nan 0.000 0.449 228 Q N 0.760 120.605 119.800 0.075 0.000 2.096 228 Q HA -0.070 4.271 4.340 0.001 0.000 0.208 228 Q C 0.951 176.991 176.000 0.067 0.000 0.993 228 Q CA 1.555 57.396 55.803 0.064 0.000 0.862 228 Q CB -0.844 27.931 28.738 0.061 0.000 0.915 228 Q HN 0.886 nan 8.270 nan 0.000 0.416 229 G N -0.180 108.677 108.800 0.096 0.000 2.851 229 G HA2 -0.132 3.829 3.960 0.001 0.000 0.272 229 G HA3 -0.132 3.829 3.960 0.001 0.000 0.272 229 G C 0.009 174.962 174.900 0.088 0.000 1.100 229 G CA 0.321 45.483 45.100 0.102 0.000 1.197 229 G HN 0.794 nan 8.290 nan 0.000 0.561 230 S N -1.128 114.634 115.700 0.103 0.000 2.923 230 S HA 0.475 4.946 4.470 0.001 0.000 0.193 230 S C 1.624 176.228 174.600 0.007 0.000 0.775 230 S CA 1.060 59.292 58.200 0.054 0.000 1.205 230 S CB 0.149 63.362 63.200 0.023 0.000 1.330 230 S HN 2.534 nan 8.310 nan 0.000 0.555 231 G N 2.069 110.886 108.800 0.028 0.000 2.132 231 G HA2 -0.280 3.680 3.960 0.001 0.000 0.228 231 G HA3 -0.280 3.680 3.960 0.001 0.000 0.228 231 G C 0.666 175.314 174.900 -0.421 0.000 1.000 231 G CA 0.384 45.297 45.100 -0.311 0.000 0.693 231 G HN 0.371 nan 8.290 nan 0.000 0.515 232 K N 0.507 120.825 120.400 -0.136 0.000 2.432 232 K HA 0.041 4.362 4.320 0.001 0.000 0.196 232 K C 2.313 178.897 176.600 -0.026 0.000 1.038 232 K CA 1.138 57.382 56.287 -0.071 0.000 0.986 232 K CB -0.341 32.178 32.500 0.030 0.000 0.782 232 K HN 0.827 nan 8.250 nan 0.000 0.485 233 W N 1.046 122.373 121.300 0.045 0.000 2.467 233 W HA 0.022 4.683 4.660 0.001 0.000 0.275 233 W C 0.631 177.184 176.519 0.057 0.000 1.239 233 W CA -0.403 56.979 57.345 0.062 0.000 1.266 233 W CB -0.642 28.857 29.460 0.064 0.000 1.112 233 W HN -0.040 nan 8.180 nan 0.000 0.576 234 Q N 1.721 121.083 119.800 -0.730 0.000 2.354 234 Q HA 0.057 4.398 4.340 0.001 0.000 0.244 234 Q C 1.218 177.076 176.000 -0.237 0.000 0.969 234 Q CA 0.703 56.096 55.803 -0.684 0.000 0.885 234 Q CB 1.335 29.402 28.738 -1.119 0.000 1.241 234 Q HN 0.117 nan 8.270 nan 0.000 0.461 235 S N -0.948 114.688 115.700 -0.108 0.000 2.512 235 S HA 0.042 4.513 4.470 0.001 0.000 0.216 235 S C 0.930 175.496 174.600 -0.056 0.000 1.006 235 S CA 0.321 58.497 58.200 -0.040 0.000 0.915 235 S CB 0.434 63.653 63.200 0.031 0.000 0.824 235 S HN 0.559 nan 8.310 nan 0.000 0.497 236 S N 0.311 115.958 115.700 -0.088 0.000 2.733 236 S HA 0.469 4.940 4.470 0.001 0.000 0.247 236 S C 1.016 175.555 174.600 -0.102 0.000 1.043 236 S CA -0.107 58.051 58.200 -0.070 0.000 1.066 236 S CB -0.183 62.996 63.200 -0.035 0.000 1.045 236 S HN 0.549 nan 8.310 nan 0.000 0.586 237 G N 0.846 109.544 108.800 -0.169 0.000 2.699 237 G HA2 0.411 4.372 3.960 0.001 0.000 0.246 237 G HA3 0.411 4.372 3.960 0.001 0.000 0.246 237 G C 0.923 175.749 174.900 -0.124 0.000 1.219 237 G CA -0.221 44.775 45.100 -0.175 0.000 0.866 237 G HN 0.433 nan 8.290 nan 0.000 0.572 238 G N -1.068 107.670 108.800 -0.103 0.000 2.848 238 G HA2 0.087 4.047 3.960 0.001 0.000 0.208 238 G HA3 0.087 4.047 3.960 0.001 0.000 0.208 238 G C 0.666 175.516 174.900 -0.084 0.000 1.152 238 G CA 0.302 45.355 45.100 -0.079 0.000 0.789 238 G HN 0.619 nan 8.290 nan 0.000 0.531 239 E N 0.925 121.060 120.200 -0.108 0.000 2.384 239 E HA 0.163 4.514 4.350 0.001 0.000 0.266 239 E C 0.340 176.886 176.600 -0.090 0.000 1.012 239 E CA -0.035 56.305 56.400 -0.101 0.000 0.901 239 E CB 0.416 30.037 29.700 -0.133 0.000 0.967 239 E HN 0.142 nan 8.360 nan 0.000 0.435 240 K N 2.612 122.968 120.400 -0.073 0.000 2.737 240 K HA 0.188 4.509 4.320 0.001 0.000 0.251 240 K C -0.780 175.777 176.600 -0.072 0.000 1.280 240 K CA -0.056 56.187 56.287 -0.073 0.000 1.219 240 K CB 0.079 32.542 32.500 -0.061 0.000 1.587 240 K HN 0.222 nan 8.250 nan 0.000 0.279 241 S N 2.029 117.679 115.700 -0.083 0.000 2.474 241 S HA 0.169 4.639 4.470 0.001 0.000 0.320 241 S C 0.845 175.376 174.600 -0.115 0.000 1.067 241 S CA -0.846 57.314 58.200 -0.067 0.000 1.127 241 S CB 1.095 64.263 63.200 -0.052 0.000 0.971 241 S HN 0.287 nan 8.310 nan 0.000 0.472 242 K N 2.119 122.424 120.400 -0.158 0.000 1.981 242 K HA -0.097 4.223 4.320 0.001 0.000 0.228 242 K C 0.178 176.433 176.600 -0.575 0.000 1.050 242 K CA 1.841 57.866 56.287 -0.436 0.000 1.001 242 K CB -0.250 31.991 32.500 -0.431 0.000 0.738 242 K HN 0.531 nan 8.250 nan 0.000 0.447 243 F N -1.734 118.249 119.950 0.055 0.000 2.661 243 F HA 0.575 5.103 4.527 0.001 0.000 0.347 243 F C 0.538 176.355 175.800 0.027 0.000 1.086 243 F CA -0.428 57.601 58.000 0.047 0.000 1.016 243 F CB 1.556 40.587 39.000 0.052 0.000 1.368 243 F HN 0.393 nan 8.300 nan 0.000 0.505 244 G N 0.437 109.384 108.800 0.246 0.000 2.402 244 G HA2 0.308 4.268 3.960 0.001 0.000 0.666 244 G HA3 0.308 4.268 3.960 0.001 0.000 0.666 244 G C -2.552 172.403 174.900 0.093 0.000 1.402 244 G CA -1.225 43.949 45.100 0.123 0.000 0.920 244 G HN 0.500 nan 8.290 nan 0.000 0.651 245 L N 1.452 122.713 121.223 0.063 0.000 2.295 245 L HA 0.813 5.154 4.340 0.001 0.000 0.285 245 L C 1.162 178.096 176.870 0.106 0.000 1.035 245 L CA 0.105 54.990 54.840 0.076 0.000 0.806 245 L CB 1.369 43.466 42.059 0.063 0.000 1.214 245 L HN 1.340 nan 8.230 nan 0.000 0.426 246 A N 2.793 125.695 122.820 0.137 0.000 2.366 246 A HA 0.560 4.881 4.320 0.001 0.000 0.249 246 A C 1.417 179.134 177.584 0.223 0.000 1.084 246 A CA 0.321 52.481 52.037 0.206 0.000 0.794 246 A CB 0.196 19.321 19.000 0.209 0.000 1.034 246 A HN 1.024 nan 8.150 nan 0.000 0.491 247 A N 1.302 124.285 122.820 0.273 0.000 1.915 247 A HA -0.199 4.121 4.320 0.001 0.000 0.220 247 A C 2.115 179.801 177.584 0.171 0.000 1.198 247 A CA 2.935 55.119 52.037 0.244 0.000 0.647 247 A CB -1.566 17.528 19.000 0.157 0.000 0.825 247 A HN 0.897 nan 8.150 nan 0.000 0.456 248 T N -0.154 114.486 114.554 0.143 0.000 2.788 248 T HA -0.158 4.193 4.350 0.001 0.000 0.268 248 T C 1.963 176.724 174.700 0.102 0.000 1.044 248 T CA 1.676 63.840 62.100 0.107 0.000 1.139 248 T CB -0.258 68.670 68.868 0.100 0.000 0.867 248 T HN 0.682 nan 8.240 nan 0.000 0.454 249 Q N 0.253 120.120 119.800 0.113 0.000 2.230 249 Q HA 0.016 4.357 4.340 0.001 0.000 0.202 249 Q C 2.479 178.535 176.000 0.094 0.000 0.963 249 Q CA 0.704 56.563 55.803 0.093 0.000 0.866 249 Q CB -0.208 28.584 28.738 0.090 0.000 0.931 249 Q HN 0.358 nan 8.270 nan 0.000 0.452 250 V N 1.038 121.026 119.914 0.124 0.000 2.427 250 V HA -0.228 3.893 4.120 0.001 0.000 0.248 250 V C 2.097 178.257 176.094 0.111 0.000 1.051 250 V CA 1.401 63.780 62.300 0.131 0.000 1.048 250 V CB -0.386 31.564 31.823 0.212 0.000 0.666 250 V HN 0.338 nan 8.190 nan 0.000 0.456 251 L N -0.592 120.693 121.223 0.104 0.000 2.093 251 L HA -0.207 4.133 4.340 0.001 0.000 0.208 251 L C 2.641 179.547 176.870 0.059 0.000 1.085 251 L CA 1.523 56.408 54.840 0.075 0.000 0.755 251 L CB -0.553 41.545 42.059 0.064 0.000 0.904 251 L HN 0.353 nan 8.230 nan 0.000 0.435 252 Q N -0.318 119.517 119.800 0.060 0.000 2.224 252 Q HA -0.188 4.153 4.340 0.001 0.000 0.203 252 Q C 2.326 178.352 176.000 0.043 0.000 0.970 252 Q CA 1.112 56.944 55.803 0.048 0.000 0.865 252 Q CB 0.000 28.768 28.738 0.049 0.000 0.922 252 Q HN 0.527 nan 8.270 nan 0.000 0.445 253 L N 0.006 121.259 121.223 0.050 0.000 2.044 253 L HA -0.139 4.202 4.340 0.001 0.000 0.205 253 L C 2.090 178.984 176.870 0.039 0.000 1.075 253 L CA 0.738 55.604 54.840 0.043 0.000 0.747 253 L CB -0.038 42.051 42.059 0.049 0.000 0.903 253 L HN 0.078 nan 8.230 nan 0.000 0.435 254 V N -0.127 119.814 119.914 0.046 0.000 2.407 254 V HA -0.266 3.855 4.120 0.001 0.000 0.248 254 V C 2.407 178.518 176.094 0.029 0.000 1.055 254 V CA 1.899 64.222 62.300 0.038 0.000 1.049 254 V CB -0.530 31.319 31.823 0.043 0.000 0.662 254 V HN 0.451 nan 8.190 nan 0.000 0.455 255 E N 0.460 120.678 120.200 0.030 0.000 2.072 255 E HA -0.149 4.202 4.350 0.001 0.000 0.190 255 E C 2.263 178.875 176.600 0.021 0.000 0.982 255 E CA 1.758 58.173 56.400 0.025 0.000 0.803 255 E CB -0.442 29.273 29.700 0.026 0.000 0.755 255 E HN 0.554 nan 8.360 nan 0.000 0.453 256 T N 0.661 115.229 114.554 0.022 0.000 2.821 256 T HA -0.060 4.291 4.350 0.001 0.000 0.267 256 T C 1.662 176.371 174.700 0.015 0.000 1.046 256 T CA 1.017 63.128 62.100 0.018 0.000 1.139 256 T CB -0.157 68.723 68.868 0.019 0.000 0.871 256 T HN 0.141 nan 8.240 nan 0.000 0.454 257 L N 0.440 121.673 121.223 0.017 0.000 2.376 257 L HA 0.069 4.410 4.340 0.001 0.000 0.219 257 L C 2.664 179.541 176.870 0.012 0.000 1.133 257 L CA 0.695 55.542 54.840 0.013 0.000 0.816 257 L CB -0.301 41.767 42.059 0.016 0.000 0.933 257 L HN 0.107 nan 8.230 nan 0.000 0.449 258 R N 0.246 120.753 120.500 0.013 0.000 2.093 258 R HA -0.099 4.242 4.340 0.001 0.000 0.224 258 R C 2.203 178.509 176.300 0.010 0.000 1.101 258 R CA 0.926 57.033 56.100 0.011 0.000 0.979 258 R CB 0.069 30.376 30.300 0.013 0.000 0.877 258 R HN 0.202 nan 8.270 nan 0.000 0.441 259 E N 0.339 120.545 120.200 0.011 0.000 2.051 259 E HA -0.116 4.234 4.350 0.001 0.000 0.192 259 E C 1.512 178.117 176.600 0.008 0.000 0.991 259 E CA 1.491 57.896 56.400 0.009 0.000 0.799 259 E CB -0.368 29.338 29.700 0.010 0.000 0.748 259 E HN 0.420 nan 8.360 nan 0.000 0.449 260 A N 0.570 123.394 122.820 0.007 0.000 2.278 260 A HA 0.340 4.660 4.320 0.001 0.000 0.212 260 A C 1.362 178.948 177.584 0.005 0.000 1.213 260 A CA 0.619 52.659 52.037 0.005 0.000 0.840 260 A CB -0.527 18.475 19.000 0.004 0.000 0.866 260 A HN 0.216 nan 8.150 nan 0.000 0.489 261 G N 0.300 109.103 108.800 0.006 0.000 2.386 261 G HA2 -0.271 3.690 3.960 0.001 0.000 0.295 261 G HA3 -0.271 3.690 3.960 0.001 0.000 0.295 261 G C 0.342 175.245 174.900 0.004 0.000 0.979 261 G CA 0.526 45.629 45.100 0.005 0.000 1.193 261 G HN 0.588 nan 8.290 nan 0.000 0.508 262 R N -0.481 120.022 120.500 0.005 0.000 2.661 262 R HA 0.250 4.591 4.340 0.001 0.000 0.429 262 R C 1.789 178.093 176.300 0.007 0.000 1.044 262 R CA -0.543 55.559 56.100 0.004 0.000 1.065 262 R CB 0.165 30.466 30.300 0.001 0.000 1.377 262 R HN 0.419 nan 8.270 nan 0.000 0.600 263 L N 0.202 121.429 121.223 0.008 0.000 2.362 263 L HA -0.133 4.208 4.340 0.001 0.000 0.219 263 L C 1.216 178.092 176.870 0.009 0.000 1.134 263 L CA 1.145 55.989 54.840 0.007 0.000 0.807 263 L CB -0.112 41.949 42.059 0.003 0.000 0.927 263 L HN 0.219 nan 8.230 nan 0.000 0.447 264 D N -0.588 119.818 120.400 0.010 0.000 2.269 264 D HA -0.091 4.550 4.640 0.001 0.000 0.208 264 D C 2.222 178.533 176.300 0.018 0.000 0.963 264 D CA 0.843 54.852 54.000 0.015 0.000 0.864 264 D CB 0.301 41.109 40.800 0.013 0.000 0.936 264 D HN 0.234 nan 8.370 nan 0.000 0.505 265 S N 0.683 116.390 115.700 0.011 0.000 2.357 265 S HA -0.057 4.414 4.470 0.001 0.000 0.221 265 S C 1.217 175.834 174.600 0.028 0.000 1.031 265 S CA -0.047 58.157 58.200 0.006 0.000 0.982 265 S CB 0.007 63.205 63.200 -0.003 0.000 0.853 265 S HN 0.271 nan 8.310 nan 0.000 0.458 266 L N 3.439 124.684 121.223 0.037 0.000 2.565 266 L HA 0.046 4.387 4.340 0.001 0.000 0.275 266 L C 0.677 177.599 176.870 0.088 0.000 1.137 266 L CA 0.148 55.025 54.840 0.062 0.000 0.915 266 L CB 0.124 42.213 42.059 0.051 0.000 1.232 266 L HN 0.372 nan 8.230 nan 0.000 0.473 267 Q N 4.752 124.640 119.800 0.146 0.000 2.064 267 Q HA 0.293 4.634 4.340 0.001 0.000 0.213 267 Q C -0.718 175.429 176.000 0.246 0.000 0.779 267 Q CA -0.394 55.522 55.803 0.188 0.000 1.032 267 Q CB 0.660 29.516 28.738 0.197 0.000 1.203 267 Q HN 0.599 nan 8.270 nan 0.000 0.457 268 L N 1.394 122.749 121.223 0.221 0.000 2.410 268 L HA 0.595 4.936 4.340 0.001 0.000 0.270 268 L C -1.872 175.091 176.870 0.155 0.000 0.983 268 L CA -1.304 53.630 54.840 0.156 0.000 0.822 268 L CB 2.313 44.407 42.059 0.058 0.000 1.285 268 L HN 0.167 nan 8.230 nan 0.000 0.409 269 L N 4.312 125.648 121.223 0.188 0.000 2.322 269 L HA 0.569 4.910 4.340 0.001 0.000 0.281 269 L C -1.076 175.890 176.870 0.160 0.000 1.014 269 L CA -0.023 54.947 54.840 0.217 0.000 0.815 269 L CB 1.278 43.568 42.059 0.384 0.000 1.247 269 L HN 0.677 nan 8.230 nan 0.000 0.421 270 H N 4.221 123.294 119.070 0.006 0.000 2.768 270 H HA 0.736 5.293 4.556 0.002 0.000 0.371 270 H C -1.632 173.727 175.328 0.052 0.000 1.151 270 H CA -0.870 55.144 56.048 -0.056 0.000 1.165 270 H CB 1.527 31.233 29.762 -0.094 0.000 1.722 270 H HN 0.452 nan 8.280 nan 0.000 0.543 271 F N 2.097 121.707 119.950 -0.568 0.000 2.650 271 F HA 0.477 5.005 4.527 0.001 0.000 0.310 271 F C -2.077 173.486 175.800 -0.396 0.000 1.112 271 F CA -0.843 56.868 58.000 -0.481 0.000 0.986 271 F CB 1.313 40.152 39.000 -0.267 0.000 1.285 271 F HN 0.643 nan 8.300 nan 0.000 0.440 272 H N 4.024 122.886 119.070 -0.348 0.000 2.658 272 H HA 0.578 5.135 4.556 0.002 0.000 0.337 272 H C -0.531 174.795 175.328 -0.003 0.000 1.009 272 H CA -0.870 55.028 56.048 -0.250 0.000 1.231 272 H CB 1.785 31.440 29.762 -0.178 0.000 1.508 272 H HN 0.803 nan 8.280 nan 0.000 0.517 273 L N 3.776 124.811 121.223 -0.313 0.000 2.529 273 L HA 0.419 4.760 4.340 0.001 0.000 0.223 273 L C 1.033 177.724 176.870 -0.298 0.000 1.113 273 L CA 0.566 55.316 54.840 -0.150 0.000 0.861 273 L CB -0.173 41.888 42.059 0.003 0.000 1.012 273 L HN 0.884 nan 8.230 nan 0.000 0.461 274 G N -0.746 107.572 108.800 -0.803 0.000 2.371 274 G HA2 -0.099 3.862 3.960 0.001 0.000 0.663 274 G HA3 -0.099 3.862 3.960 0.001 0.000 0.663 274 G C -0.873 173.897 174.900 -0.216 0.000 1.311 274 G CA -0.710 44.133 45.100 -0.427 0.000 0.985 274 G HN -0.070 nan 8.290 nan 0.000 0.566 275 S N 0.307 116.032 115.700 0.043 0.000 2.672 275 S HA 0.614 5.085 4.470 0.001 0.000 0.276 275 S C 0.258 174.900 174.600 0.070 0.000 1.207 275 S CA -0.129 58.136 58.200 0.109 0.000 1.002 275 S CB 1.317 64.600 63.200 0.137 0.000 0.998 275 S HN 1.004 nan 8.310 nan 0.000 0.542 276 Q N 0.469 120.335 119.800 0.110 0.000 2.434 276 Q HA -0.176 4.165 4.340 0.001 0.000 0.366 276 Q C -1.095 174.960 176.000 0.092 0.000 1.398 276 Q CA 0.439 56.303 55.803 0.102 0.000 1.074 276 Q CB -0.973 27.811 28.738 0.078 0.000 1.236 276 Q HN 0.585 nan 8.270 nan 0.000 0.329 277 M N 0.614 120.297 119.600 0.139 0.000 2.201 277 M HA 0.278 4.759 4.480 0.001 0.000 0.345 277 M C 1.102 177.557 176.300 0.257 0.000 1.352 277 M CA 0.550 55.953 55.300 0.171 0.000 1.218 277 M CB 0.803 33.514 32.600 0.186 0.000 1.512 277 M HN 0.402 nan 8.290 nan 0.000 0.447 278 A N 4.189 127.102 122.820 0.156 0.000 1.851 278 A HA -0.118 4.203 4.320 0.001 0.000 0.216 278 A C 1.083 178.798 177.584 0.217 0.000 1.195 278 A CA 1.377 53.490 52.037 0.128 0.000 0.622 278 A CB -0.513 18.524 19.000 0.063 0.000 0.831 278 A HN 0.728 nan 8.150 nan 0.000 0.444 279 N N -0.488 118.328 118.700 0.194 0.000 2.444 279 N HA 0.255 4.996 4.740 0.001 0.000 0.271 279 N C 0.406 176.032 175.510 0.193 0.000 1.069 279 N CA -0.334 52.828 53.050 0.186 0.000 0.965 279 N CB 0.886 39.430 38.487 0.096 0.000 1.092 279 N HN 0.188 nan 8.380 nan 0.000 0.476 280 I N 3.832 124.528 120.570 0.209 0.000 2.361 280 I HA -0.081 4.090 4.170 0.001 0.000 0.251 280 I C 2.120 178.194 176.117 -0.072 0.000 1.133 280 I CA 1.323 62.583 61.300 -0.066 0.000 1.413 280 I CB -0.183 37.814 38.000 -0.006 0.000 1.073 280 I HN 0.672 nan 8.210 nan 0.000 0.424 281 R N 0.269 120.767 120.500 -0.002 0.000 2.120 281 R HA -0.174 4.167 4.340 0.001 0.000 0.234 281 R C 1.667 177.964 176.300 -0.004 0.000 1.123 281 R CA 1.701 57.795 56.100 -0.009 0.000 0.975 281 R CB -0.326 29.979 30.300 0.007 0.000 0.866 281 R HN 0.363 nan 8.270 nan 0.000 0.446 282 D N 0.511 120.919 120.400 0.014 0.000 2.144 282 D HA -0.148 4.493 4.640 0.001 0.000 0.199 282 D C 1.827 178.143 176.300 0.026 0.000 0.984 282 D CA 1.186 55.202 54.000 0.026 0.000 0.834 282 D CB -0.053 40.774 40.800 0.045 0.000 0.955 282 D HN 0.355 nan 8.370 nan 0.000 0.465 283 I N 0.767 121.338 120.570 0.002 0.000 2.233 283 I HA -0.174 3.997 4.170 0.001 0.000 0.243 283 I C 2.463 178.579 176.117 -0.001 0.000 1.093 283 I CA 0.812 62.121 61.300 0.016 0.000 1.380 283 I CB -0.244 37.722 38.000 -0.057 0.000 1.067 283 I HN -0.086 nan 8.210 nan 0.000 0.413 284 A N 0.015 122.809 122.820 -0.043 0.000 1.908 284 A HA -0.263 4.058 4.320 0.001 0.000 0.218 284 A C 2.435 180.008 177.584 -0.018 0.000 1.181 284 A CA 2.597 54.609 52.037 -0.041 0.000 0.627 284 A CB -1.129 17.840 19.000 -0.052 0.000 0.818 284 A HN 0.389 nan 8.150 nan 0.000 0.445 285 T N -1.219 113.328 114.554 -0.011 0.000 2.995 285 T HA 0.072 4.423 4.350 0.001 0.000 0.269 285 T C 1.651 176.340 174.700 -0.018 0.000 1.091 285 T CA 1.719 63.815 62.100 -0.007 0.000 1.128 285 T CB -0.400 68.470 68.868 0.004 0.000 0.891 285 T HN 0.488 nan 8.240 nan 0.000 0.492 286 G N 0.661 109.452 108.800 -0.015 0.000 2.411 286 G HA2 -0.043 3.918 3.960 0.001 0.000 0.213 286 G HA3 -0.043 3.918 3.960 0.001 0.000 0.213 286 G C 1.657 176.380 174.900 -0.295 0.000 1.166 286 G CA 0.967 46.024 45.100 -0.072 0.000 0.802 286 G HN 0.538 nan 8.290 nan 0.000 0.533 287 V N -1.127 118.712 119.914 -0.125 0.000 2.379 287 V HA 0.022 4.143 4.120 0.001 0.000 0.245 287 V C 2.600 178.688 176.094 -0.010 0.000 1.044 287 V CA 1.278 63.533 62.300 -0.075 0.000 1.036 287 V CB -0.724 31.187 31.823 0.146 0.000 0.664 287 V HN 0.108 nan 8.190 nan 0.000 0.453 288 R N 0.558 121.053 120.500 -0.007 0.000 2.133 288 R HA -0.273 4.068 4.340 0.001 0.000 0.245 288 R C 2.448 178.755 176.300 0.011 0.000 1.137 288 R CA 2.601 58.705 56.100 0.007 0.000 0.947 288 R CB -0.562 29.737 30.300 -0.001 0.000 0.865 288 R HN 0.849 nan 8.270 nan 0.000 0.437 289 E N -0.201 119.991 120.200 -0.014 0.000 2.016 289 E HA -0.121 4.229 4.350 0.001 0.000 0.190 289 E C 1.957 178.631 176.600 0.122 0.000 0.985 289 E CA 1.301 57.715 56.400 0.024 0.000 0.802 289 E CB -0.170 29.547 29.700 0.029 0.000 0.762 289 E HN 0.078 nan 8.360 nan 0.000 0.448 290 S N -0.450 115.250 115.700 -0.000 0.000 2.420 290 S HA -0.196 4.275 4.470 0.001 0.000 0.237 290 S C 1.805 176.643 174.600 0.396 0.000 1.023 290 S CA 1.115 59.360 58.200 0.075 0.000 0.991 290 S CB -0.342 62.426 63.200 -0.720 0.000 0.792 290 S HN 0.475 nan 8.310 nan 0.000 0.488 291 A N 1.089 124.098 122.820 0.315 0.000 2.014 291 A HA 0.019 4.340 4.320 0.001 0.000 0.218 291 A C 2.147 179.868 177.584 0.229 0.000 1.163 291 A CA 0.770 52.959 52.037 0.254 0.000 0.652 291 A CB -0.328 18.712 19.000 0.067 0.000 0.808 291 A HN 0.474 nan 8.150 nan 0.000 0.449 292 R N -1.800 118.800 120.500 0.166 0.000 2.189 292 R HA -0.008 4.333 4.340 0.001 0.000 0.218 292 R C 1.443 177.794 176.300 0.085 0.000 1.074 292 R CA 0.930 57.071 56.100 0.068 0.000 0.991 292 R CB -0.366 29.902 30.300 -0.053 0.000 0.883 292 R HN 0.584 nan 8.270 nan 0.000 0.457 293 F N -0.518 119.518 119.950 0.143 0.000 2.234 293 F HA -0.200 4.328 4.527 0.002 0.000 0.299 293 F C 2.245 178.171 175.800 0.211 0.000 1.087 293 F CA 1.049 59.141 58.000 0.154 0.000 1.340 293 F CB -0.396 38.703 39.000 0.165 0.000 1.031 293 F HN 0.021 nan 8.300 nan 0.000 0.500 294 Y N 0.064 120.563 120.300 0.332 0.000 2.089 294 Y HA -0.232 4.318 4.550 0.001 0.000 0.282 294 Y C 2.539 178.577 175.900 0.230 0.000 1.139 294 Y CA 1.719 59.977 58.100 0.263 0.000 1.123 294 Y CB -1.020 37.524 38.460 0.141 0.000 0.980 294 Y HN -0.096 nan 8.280 nan 0.000 0.493 295 V N 0.637 120.594 119.914 0.071 0.000 2.295 295 V HA -0.205 3.915 4.120 0.001 0.000 0.246 295 V C 2.148 178.237 176.094 -0.007 0.000 1.049 295 V CA 2.539 64.811 62.300 -0.046 0.000 1.024 295 V CB -0.494 31.334 31.823 0.009 0.000 0.648 295 V HN 0.495 nan 8.190 nan 0.000 0.447 296 E N -0.207 120.001 120.200 0.013 0.000 2.204 296 E HA -0.162 4.188 4.350 0.001 0.000 0.195 296 E C 2.002 178.617 176.600 0.025 0.000 0.990 296 E CA 1.246 57.643 56.400 -0.005 0.000 0.821 296 E CB -0.232 29.429 29.700 -0.064 0.000 0.750 296 E HN 0.513 nan 8.360 nan 0.000 0.477 297 L N 0.273 121.529 121.223 0.056 0.000 2.209 297 L HA -0.061 4.280 4.340 0.001 0.000 0.207 297 L C 2.160 179.008 176.870 -0.037 0.000 1.094 297 L CA 1.331 56.196 54.840 0.042 0.000 0.790 297 L CB -0.543 41.572 42.059 0.094 0.000 0.932 297 L HN 0.169 nan 8.230 nan 0.000 0.447 298 H N 0.072 119.072 119.070 -0.118 0.000 2.357 298 H HA -0.084 4.473 4.556 0.002 0.000 0.301 298 H C 1.961 177.242 175.328 -0.079 0.000 1.082 298 H CA 1.347 57.308 56.048 -0.144 0.000 1.342 298 H CB 0.389 29.986 29.762 -0.276 0.000 1.389 298 H HN 0.283 nan 8.280 nan 0.000 0.511 299 K N 0.496 120.933 120.400 0.061 0.000 2.286 299 K HA -0.101 4.220 4.320 0.001 0.000 0.203 299 K C 1.876 178.488 176.600 0.019 0.000 1.045 299 K CA 0.703 57.006 56.287 0.028 0.000 0.935 299 K CB 0.061 32.565 32.500 0.007 0.000 0.737 299 K HN 0.263 nan 8.250 nan 0.000 0.460 300 L N -0.973 120.258 121.223 0.013 0.000 2.592 300 L HA 0.100 4.441 4.340 0.001 0.000 0.227 300 L C 1.407 178.278 176.870 0.003 0.000 1.127 300 L CA 0.440 55.286 54.840 0.009 0.000 0.884 300 L CB 0.154 42.221 42.059 0.013 0.000 1.065 300 L HN 0.452 nan 8.230 nan 0.000 0.457 301 G N -0.175 108.624 108.800 -0.002 0.000 2.313 301 G HA2 -0.274 3.687 3.960 0.001 0.000 0.215 301 G HA3 -0.274 3.687 3.960 0.001 0.000 0.215 301 G C 0.347 175.216 174.900 -0.052 0.000 1.023 301 G CA 0.050 45.146 45.100 -0.006 0.000 0.626 301 G HN 0.058 nan 8.290 nan 0.000 0.503 302 V N 1.763 121.627 119.914 -0.084 0.000 3.061 302 V HA 0.282 4.402 4.120 0.001 0.000 0.306 302 V C 1.512 177.427 176.094 -0.300 0.000 1.118 302 V CA 1.620 63.848 62.300 -0.120 0.000 1.231 302 V CB 1.209 32.984 31.823 -0.080 0.000 0.956 302 V HN 0.578 nan 8.190 nan 0.000 0.499 303 N N 3.483 122.060 118.700 -0.205 0.000 2.272 303 N HA 0.203 4.944 4.740 0.001 0.000 0.195 303 N C -0.051 175.335 175.510 -0.208 0.000 1.048 303 N CA 0.465 53.374 53.050 -0.234 0.000 0.912 303 N CB 0.046 38.536 38.487 0.005 0.000 1.096 303 N HN 0.704 nan 8.380 nan 0.000 0.471 304 I N 1.329 121.929 120.570 0.050 0.000 7.386 304 I HA -0.193 3.977 4.170 0.001 0.000 0.126 304 I C -0.532 175.810 176.117 0.376 0.000 1.839 304 I CA 0.017 61.449 61.300 0.219 0.000 2.038 304 I CB -0.400 37.760 38.000 0.265 0.000 3.643 304 I HN 0.496 nan 8.210 nan 0.000 0.169 305 Q N 2.750 122.730 119.800 0.300 0.000 2.319 305 Q HA 0.263 4.604 4.340 0.001 0.000 0.202 305 Q C -0.090 176.065 176.000 0.257 0.000 0.896 305 Q CA 0.526 56.504 55.803 0.291 0.000 0.942 305 Q CB 0.743 29.622 28.738 0.235 0.000 1.083 305 Q HN 0.685 nan 8.270 nan 0.000 0.510 306 C N 0.679 120.125 119.300 0.243 0.000 2.408 306 C HA 0.521 4.981 4.460 0.001 0.000 0.321 306 C C -0.938 174.194 174.990 0.237 0.000 1.245 306 C CA -0.938 58.184 59.018 0.174 0.000 1.523 306 C CB 0.191 27.937 27.740 0.010 0.000 2.178 306 C HN 0.304 nan 8.230 nan 0.000 0.488 307 F N 3.504 123.461 119.950 0.011 0.000 2.366 307 F HA 0.380 4.907 4.527 0.001 0.000 0.366 307 F C -0.135 175.670 175.800 0.008 0.000 1.096 307 F CA -0.689 57.325 58.000 0.022 0.000 1.060 307 F CB 0.389 39.362 39.000 -0.045 0.000 1.282 307 F HN 0.554 nan 8.300 nan 0.000 0.450 308 D N 4.810 125.081 120.400 -0.216 0.000 2.428 308 D HA 0.170 4.810 4.640 0.001 0.000 0.221 308 D C 1.004 177.040 176.300 -0.439 0.000 1.123 308 D CA -0.142 53.703 54.000 -0.259 0.000 0.869 308 D CB 1.253 41.938 40.800 -0.192 0.000 1.032 308 D HN 0.366 nan 8.370 nan 0.000 0.506 309 V N 1.823 121.430 119.914 -0.512 0.000 3.510 309 V HA 0.247 4.368 4.120 0.001 0.000 0.270 309 V C 1.204 176.795 176.094 -0.839 0.000 1.201 309 V CA 0.184 61.964 62.300 -0.867 0.000 1.166 309 V CB -1.323 30.331 31.823 -0.282 0.000 0.825 309 V HN 0.708 nan 8.190 nan 0.000 0.484 310 G N 0.800 109.377 108.800 -0.371 0.000 2.329 310 G HA2 0.156 4.117 3.960 0.001 0.000 0.204 310 G HA3 0.156 4.117 3.960 0.001 0.000 0.204 310 G C 0.874 175.814 174.900 0.068 0.000 0.435 310 G CA 0.347 45.410 45.100 -0.063 0.000 0.977 310 G HN 1.775 nan 8.290 nan 0.000 0.366 311 G N 2.129 110.982 108.800 0.088 0.000 2.596 311 G HA2 0.229 4.190 3.960 0.001 0.000 0.421 311 G HA3 0.229 4.190 3.960 0.001 0.000 0.421 311 G C 2.128 177.108 174.900 0.134 0.000 1.364 311 G CA 2.346 47.533 45.100 0.144 0.000 0.954 311 G HN 2.882 nan 8.290 nan 0.000 0.524 312 G N -1.711 107.167 108.800 0.129 0.000 2.336 312 G HA2 -0.161 3.800 3.960 0.001 0.000 0.233 312 G HA3 -0.161 3.800 3.960 0.001 0.000 0.233 312 G C 0.773 175.726 174.900 0.087 0.000 1.053 312 G CA 0.877 46.012 45.100 0.058 0.000 0.625 312 G HN 1.768 nan 8.290 nan 0.000 0.511 313 L N 2.516 123.735 121.223 -0.007 0.000 2.584 313 L HA 0.497 4.838 4.340 0.001 0.000 0.272 313 L C 1.253 178.127 176.870 0.006 0.000 1.195 313 L CA 0.445 55.180 54.840 -0.175 0.000 0.920 313 L CB 0.166 41.903 42.059 -0.537 0.000 1.173 313 L HN 0.410 nan 8.230 nan 0.000 0.489 314 G N 4.319 113.165 108.800 0.076 0.000 2.562 314 G HA2 0.497 4.458 3.960 0.001 0.000 0.275 314 G HA3 0.497 4.458 3.960 0.001 0.000 0.275 314 G C -1.051 173.796 174.900 -0.089 0.000 1.196 314 G CA -0.531 44.572 45.100 0.005 0.000 0.908 314 G HN 0.509 nan 8.290 nan 0.000 0.524 315 V N 0.626 120.498 119.914 -0.070 0.000 2.531 315 V HA 0.211 4.332 4.120 0.001 0.000 0.301 315 V C -0.810 175.147 176.094 -0.227 0.000 1.034 315 V CA -0.783 61.396 62.300 -0.201 0.000 0.865 315 V CB 1.830 33.432 31.823 -0.369 0.000 0.995 315 V HN 0.815 nan 8.190 nan 0.000 0.424 316 D N 2.657 122.954 120.400 -0.172 0.000 2.346 316 D HA 0.187 4.828 4.640 0.001 0.000 0.260 316 D C 0.118 176.346 176.300 -0.120 0.000 1.252 316 D CA 0.507 54.468 54.000 -0.066 0.000 0.895 316 D CB 0.656 41.474 40.800 0.031 0.000 1.097 316 D HN 0.483 nan 8.370 nan 0.000 0.489 317 Y N 2.019 122.294 120.300 -0.041 0.000 2.396 317 Y HA 0.098 4.648 4.550 0.001 0.000 0.292 317 Y C 2.049 177.850 175.900 -0.165 0.000 1.128 317 Y CA 0.242 58.271 58.100 -0.119 0.000 1.194 317 Y CB 0.167 38.509 38.460 -0.198 0.000 1.124 317 Y HN 0.446 nan 8.280 nan 0.000 0.543 318 E N -0.597 119.639 120.200 0.061 0.000 2.028 318 E HA -0.028 4.322 4.350 0.001 0.000 0.191 318 E C 1.457 178.111 176.600 0.091 0.000 0.988 318 E CA 1.189 57.597 56.400 0.013 0.000 0.799 318 E CB -0.259 29.444 29.700 0.004 0.000 0.755 318 E HN 0.507 nan 8.360 nan 0.000 0.447 319 G N 0.506 109.409 108.800 0.172 0.000 2.148 319 G HA2 -0.215 3.746 3.960 0.001 0.000 0.157 319 G HA3 -0.215 3.746 3.960 0.001 0.000 0.157 319 G C 0.843 175.776 174.900 0.055 0.000 1.012 319 G CA 0.520 45.821 45.100 0.336 0.000 0.677 319 G HN 0.352 nan 8.290 nan 0.000 0.506 320 T N -2.662 111.873 114.554 -0.032 0.000 3.054 320 T HA 0.411 4.762 4.350 0.001 0.000 0.255 320 T C 1.039 175.673 174.700 -0.111 0.000 1.035 320 T CA 0.759 62.760 62.100 -0.165 0.000 0.941 320 T CB 0.292 69.082 68.868 -0.129 0.000 1.026 320 T HN 0.902 nan 8.240 nan 0.000 0.533 321 R N 1.693 122.181 120.500 -0.021 0.000 3.251 321 R HA -0.162 4.179 4.340 0.001 0.000 0.249 321 R C 0.042 176.329 176.300 -0.021 0.000 0.949 321 R CA 0.722 56.822 56.100 0.001 0.000 0.645 321 R CB -2.234 28.100 30.300 0.057 0.000 1.065 321 R HN 0.839 nan 8.270 nan 0.000 0.452 322 S N -2.141 113.541 115.700 -0.030 0.000 2.795 322 S HA 0.323 4.794 4.470 0.001 0.000 0.308 322 S C 0.591 175.182 174.600 -0.015 0.000 1.098 322 S CA -0.632 57.554 58.200 -0.023 0.000 0.934 322 S CB 1.582 64.761 63.200 -0.034 0.000 1.300 322 S HN 0.342 nan 8.310 nan 0.000 0.566 323 Q N 0.252 120.051 119.800 -0.003 0.000 2.222 323 Q HA 0.326 4.666 4.340 0.001 0.000 0.206 323 Q C 0.127 176.127 176.000 0.000 0.000 0.877 323 Q CA -0.294 55.516 55.803 0.013 0.000 0.958 323 Q CB 0.033 28.787 28.738 0.026 0.000 1.075 323 Q HN 0.652 nan 8.270 nan 0.000 0.483 324 S N 0.505 116.196 115.700 -0.015 0.000 2.629 324 S HA -0.065 4.406 4.470 0.001 0.000 0.250 324 S C 0.482 175.067 174.600 -0.024 0.000 1.318 324 S CA 0.291 58.475 58.200 -0.027 0.000 0.970 324 S CB 0.338 63.514 63.200 -0.040 0.000 0.996 324 S HN 0.454 nan 8.310 nan 0.000 0.563 325 D N 0.255 120.630 120.400 -0.042 0.000 2.085 325 D HA -0.014 4.627 4.640 0.001 0.000 0.199 325 D C 0.581 176.851 176.300 -0.050 0.000 0.981 325 D CA 0.915 54.885 54.000 -0.050 0.000 0.834 325 D CB -0.206 40.551 40.800 -0.072 0.000 0.992 325 D HN 0.327 nan 8.370 nan 0.000 0.457 326 C N 1.043 120.306 119.300 -0.062 0.000 2.565 326 C HA 0.714 5.175 4.460 0.001 0.000 0.451 326 C C 0.166 175.193 174.990 0.063 0.000 1.301 326 C CA -0.669 58.325 59.018 -0.040 0.000 1.638 326 C CB -1.735 25.906 27.740 -0.164 0.000 2.236 326 C HN 0.229 nan 8.230 nan 0.000 0.603 327 S N 0.382 116.105 115.700 0.039 0.000 2.578 327 S HA 0.549 5.020 4.470 0.001 0.000 0.285 327 S C -0.736 173.842 174.600 -0.037 0.000 1.126 327 S CA -0.393 57.815 58.200 0.013 0.000 0.878 327 S CB 0.902 64.102 63.200 -0.000 0.000 1.091 327 S HN 0.722 nan 8.310 nan 0.000 0.450 328 V N 2.446 122.290 119.914 -0.116 0.000 2.732 328 V HA 0.675 4.796 4.120 0.001 0.000 0.310 328 V C 0.507 176.485 176.094 -0.192 0.000 1.053 328 V CA -0.154 61.998 62.300 -0.246 0.000 0.957 328 V CB 1.505 32.938 31.823 -0.650 0.000 1.018 328 V HN 1.030 nan 8.190 nan 0.000 0.452 329 N N 0.783 119.426 118.700 -0.095 0.000 2.279 329 N HA 0.254 4.995 4.740 0.001 0.000 0.226 329 N C -0.502 175.069 175.510 0.102 0.000 1.126 329 N CA -0.534 52.528 53.050 0.020 0.000 0.846 329 N CB 0.252 38.789 38.487 0.083 0.000 1.050 329 N HN 0.891 nan 8.380 nan 0.000 0.502 330 Y N -2.331 117.996 120.300 0.044 0.000 2.470 330 Y HA 0.736 5.287 4.550 0.001 0.000 0.341 330 Y C 0.146 176.077 175.900 0.051 0.000 1.021 330 Y CA -1.614 56.515 58.100 0.047 0.000 1.025 330 Y CB 0.716 39.215 38.460 0.065 0.000 1.266 330 Y HN -0.078 nan 8.280 nan 0.000 0.448 331 G N 2.191 111.095 108.800 0.174 0.000 2.588 331 G HA2 0.301 4.262 3.960 0.001 0.000 0.281 331 G HA3 0.301 4.262 3.960 0.001 0.000 0.281 331 G C 0.290 175.303 174.900 0.187 0.000 1.236 331 G CA -0.895 44.273 45.100 0.114 0.000 0.969 331 G HN 0.920 nan 8.290 nan 0.000 0.504 332 L N -0.375 120.919 121.223 0.119 0.000 2.017 332 L HA -0.151 4.190 4.340 0.001 0.000 0.208 332 L C 2.778 179.693 176.870 0.074 0.000 1.073 332 L CA 1.588 56.500 54.840 0.119 0.000 0.745 332 L CB -0.262 41.852 42.059 0.092 0.000 0.894 332 L HN 0.560 nan 8.230 nan 0.000 0.432 333 N N -0.645 118.072 118.700 0.028 0.000 2.106 333 N HA -0.219 4.521 4.740 0.001 0.000 0.188 333 N C 1.665 177.139 175.510 -0.061 0.000 1.029 333 N CA 1.121 54.142 53.050 -0.047 0.000 0.848 333 N CB -0.192 38.277 38.487 -0.030 0.000 1.007 333 N HN 0.297 nan 8.380 nan 0.000 0.423 334 E N -0.107 120.100 120.200 0.012 0.000 2.114 334 E HA -0.310 4.041 4.350 0.001 0.000 0.199 334 E C 1.765 178.350 176.600 -0.025 0.000 1.008 334 E CA 1.155 57.552 56.400 -0.004 0.000 0.810 334 E CB -0.199 29.550 29.700 0.083 0.000 0.739 334 E HN 0.553 nan 8.360 nan 0.000 0.456 335 Y N 0.377 120.632 120.300 -0.073 0.000 2.114 335 Y HA -0.221 4.330 4.550 0.001 0.000 0.284 335 Y C 2.154 177.898 175.900 -0.259 0.000 1.143 335 Y CA 1.949 59.960 58.100 -0.149 0.000 1.135 335 Y CB -0.555 37.913 38.460 0.015 0.000 0.980 335 Y HN 0.150 nan 8.280 nan 0.000 0.499 336 A N 0.987 123.554 122.820 -0.422 0.000 1.873 336 A HA -0.283 4.038 4.320 0.001 0.000 0.218 336 A C 2.036 179.301 177.584 -0.531 0.000 1.193 336 A CA 2.147 53.548 52.037 -1.059 0.000 0.629 336 A CB -1.021 17.226 19.000 -1.256 0.000 0.826 336 A HN 0.644 nan 8.150 nan 0.000 0.447 337 N N 0.392 118.915 118.700 -0.295 0.000 2.018 337 N HA -0.190 4.551 4.740 0.001 0.000 0.196 337 N C 1.525 176.974 175.510 -0.102 0.000 1.043 337 N CA 1.870 54.845 53.050 -0.125 0.000 0.856 337 N CB -0.954 37.361 38.487 -0.287 0.000 1.042 337 N HN 0.654 nan 8.380 nan 0.000 0.423 338 N N 0.372 118.945 118.700 -0.211 0.000 2.091 338 N HA -0.110 4.631 4.740 0.001 0.000 0.193 338 N C 1.588 177.020 175.510 -0.131 0.000 1.021 338 N CA 0.995 53.938 53.050 -0.178 0.000 0.862 338 N CB -0.035 38.320 38.487 -0.221 0.000 1.018 338 N HN 0.169 nan 8.380 nan 0.000 0.429 339 I N 0.750 121.192 120.570 -0.214 0.000 2.110 339 I HA -0.210 3.961 4.170 0.001 0.000 0.236 339 I C 2.104 178.174 176.117 -0.078 0.000 1.068 339 I CA 1.227 62.459 61.300 -0.114 0.000 1.333 339 I CB -1.209 36.737 38.000 -0.090 0.000 1.054 339 I HN 0.161 nan 8.210 nan 0.000 0.402 340 I N -0.334 120.157 120.570 -0.132 0.000 2.118 340 I HA -0.362 3.809 4.170 0.001 0.000 0.241 340 I C 2.738 178.583 176.117 -0.454 0.000 1.070 340 I CA 1.706 62.782 61.300 -0.373 0.000 1.327 340 I CB -0.478 37.318 38.000 -0.339 0.000 1.034 340 I HN 0.364 nan 8.210 nan 0.000 0.405 341 W N 1.165 122.155 121.300 -0.518 0.000 2.321 341 W HA -0.294 4.366 4.660 0.001 0.000 0.306 341 W C 2.750 179.040 176.519 -0.383 0.000 1.217 341 W CA 1.674 58.677 57.345 -0.570 0.000 1.257 341 W CB -0.288 28.983 29.460 -0.314 0.000 1.145 341 W HN 0.243 nan 8.180 nan 0.000 0.509 342 A N 0.352 123.153 122.820 -0.032 0.000 1.835 342 A HA -0.241 4.080 4.320 0.001 0.000 0.215 342 A C 1.814 179.329 177.584 -0.115 0.000 1.199 342 A CA 1.943 53.962 52.037 -0.031 0.000 0.615 342 A CB -1.209 17.801 19.000 0.018 0.000 0.838 342 A HN 0.167 nan 8.150 nan 0.000 0.444 343 I N 0.153 120.606 120.570 -0.196 0.000 2.361 343 I HA -0.071 4.100 4.170 0.001 0.000 0.251 343 I C 2.178 178.161 176.117 -0.222 0.000 1.133 343 I CA 1.277 62.368 61.300 -0.348 0.000 1.413 343 I CB -0.786 36.873 38.000 -0.569 0.000 1.073 343 I HN 0.246 nan 8.210 nan 0.000 0.424 344 G N 0.059 108.679 108.800 -0.300 0.000 2.604 344 G HA2 -0.267 3.694 3.960 0.001 0.000 0.216 344 G HA3 -0.267 3.694 3.960 0.001 0.000 0.216 344 G C 1.420 176.262 174.900 -0.097 0.000 1.265 344 G CA 0.988 45.893 45.100 -0.325 0.000 0.804 344 G HN 0.383 nan 8.290 nan 0.000 0.579 345 D N 1.115 121.466 120.400 -0.081 0.000 2.190 345 D HA -0.123 4.517 4.640 0.001 0.000 0.200 345 D C 2.773 179.096 176.300 0.038 0.000 0.992 345 D CA 1.217 55.255 54.000 0.063 0.000 0.854 345 D CB -0.364 40.487 40.800 0.086 0.000 0.936 345 D HN 0.297 nan 8.370 nan 0.000 0.462 346 A N 0.565 123.383 122.820 -0.003 0.000 1.908 346 A HA -0.215 4.106 4.320 0.001 0.000 0.218 346 A C 2.611 180.227 177.584 0.055 0.000 1.181 346 A CA 1.458 53.507 52.037 0.019 0.000 0.627 346 A CB -0.915 18.081 19.000 -0.007 0.000 0.818 346 A HN 0.355 nan 8.150 nan 0.000 0.445 347 C N -0.919 118.418 119.300 0.062 0.000 2.489 347 C HA -0.037 4.424 4.460 0.001 0.000 0.279 347 C C 2.703 177.748 174.990 0.093 0.000 1.266 347 C CA 0.891 59.978 59.018 0.114 0.000 1.707 347 C CB -1.070 26.769 27.740 0.165 0.000 2.059 347 C HN 0.612 nan 8.230 nan 0.000 0.481 348 E N 1.314 121.577 120.200 0.105 0.000 2.068 348 E HA -0.245 4.106 4.350 0.001 0.000 0.207 348 E C 1.821 178.450 176.600 0.049 0.000 1.032 348 E CA 1.612 58.066 56.400 0.091 0.000 0.839 348 E CB -0.734 29.022 29.700 0.094 0.000 0.758 348 E HN 0.698 nan 8.360 nan 0.000 0.457 349 E N 0.525 120.751 120.200 0.044 0.000 2.048 349 E HA -0.220 4.130 4.350 0.001 0.000 0.202 349 E C 1.611 178.219 176.600 0.012 0.000 1.021 349 E CA 1.695 58.111 56.400 0.027 0.000 0.825 349 E CB -0.323 29.393 29.700 0.027 0.000 0.756 349 E HN 0.246 nan 8.360 nan 0.000 0.454 350 N N -0.556 118.149 118.700 0.008 0.000 2.449 350 N HA 0.103 4.844 4.740 0.001 0.000 0.191 350 N C 0.146 175.640 175.510 -0.027 0.000 1.161 350 N CA 0.708 53.750 53.050 -0.013 0.000 0.863 350 N CB 0.935 39.408 38.487 -0.024 0.000 0.980 350 N HN 0.270 nan 8.380 nan 0.000 0.458 351 G N 0.427 109.221 108.800 -0.011 0.000 2.333 351 G HA2 -0.244 3.717 3.960 0.001 0.000 0.296 351 G HA3 -0.244 3.717 3.960 0.001 0.000 0.296 351 G C -0.646 174.223 174.900 -0.052 0.000 1.059 351 G CA -0.047 45.040 45.100 -0.022 0.000 1.050 351 G HN 0.145 nan 8.290 nan 0.000 0.508 352 L N 0.880 122.082 121.223 -0.036 0.000 2.319 352 L HA 0.752 5.092 4.340 0.001 0.000 0.267 352 L C -1.529 175.350 176.870 0.015 0.000 1.011 352 L CA -2.287 52.496 54.840 -0.094 0.000 0.818 352 L CB 1.654 43.603 42.059 -0.184 0.000 1.316 352 L HN 0.080 nan 8.230 nan 0.000 0.432 353 P HA 0.122 nan 4.420 nan 0.000 0.275 353 P C -1.014 176.386 177.300 0.167 0.000 1.228 353 P CA -0.287 62.822 63.100 0.015 0.000 0.786 353 P CB 0.273 31.978 31.700 0.009 0.000 0.927 354 H N 3.409 122.403 119.070 -0.127 0.000 3.017 354 H HA 0.158 4.714 4.556 0.001 0.000 0.276 354 H C -1.510 173.754 175.328 -0.105 0.000 1.062 354 H CA -1.661 54.208 56.048 -0.298 0.000 1.486 354 H CB 0.045 29.269 29.762 -0.896 0.000 1.507 354 H HN 0.373 nan 8.280 nan 0.000 0.508 355 P HA 0.010 nan 4.420 nan 0.000 0.276 355 P C -0.164 177.298 177.300 0.269 0.000 1.252 355 P CA -0.603 62.600 63.100 0.171 0.000 0.802 355 P CB 0.961 32.660 31.700 -0.002 0.000 1.035 356 T N 0.859 115.568 114.554 0.259 0.000 2.853 356 T HA 0.158 4.509 4.350 0.001 0.000 0.298 356 T C 0.279 175.145 174.700 0.276 0.000 0.978 356 T CA -0.048 62.229 62.100 0.295 0.000 1.152 356 T CB -0.079 68.960 68.868 0.284 0.000 0.914 356 T HN 0.093 nan 8.240 nan 0.000 0.539 357 V N 6.091 126.177 119.914 0.287 0.000 2.383 357 V HA 0.395 4.516 4.120 0.001 0.000 0.275 357 V C 0.291 176.439 176.094 0.090 0.000 1.036 357 V CA -0.534 61.886 62.300 0.200 0.000 0.889 357 V CB 0.555 32.446 31.823 0.113 0.000 0.985 357 V HN 0.744 nan 8.190 nan 0.000 0.459 358 I N 3.939 124.455 120.570 -0.091 0.000 2.562 358 I HA 0.622 4.793 4.170 0.001 0.000 0.301 358 I C 0.076 176.045 176.117 -0.247 0.000 1.003 358 I CA -0.213 60.870 61.300 -0.363 0.000 1.127 358 I CB 2.341 40.032 38.000 -0.516 0.000 1.304 358 I HN 0.610 nan 8.210 nan 0.000 0.446 359 T N 3.143 117.552 114.554 -0.242 0.000 2.900 359 T HA 0.392 4.743 4.350 0.001 0.000 0.303 359 T C -1.029 173.605 174.700 -0.110 0.000 1.142 359 T CA -0.530 61.509 62.100 -0.101 0.000 1.007 359 T CB 1.391 70.298 68.868 0.064 0.000 1.156 359 T HN 0.682 nan 8.240 nan 0.000 0.490 360 E N 2.184 122.354 120.200 -0.050 0.000 3.659 360 E HA 0.256 4.607 4.350 0.001 0.000 0.217 360 E C -0.494 176.121 176.600 0.025 0.000 1.141 360 E CA -0.366 56.003 56.400 -0.051 0.000 1.340 360 E CB 0.679 30.320 29.700 -0.100 0.000 1.295 360 E HN 0.334 nan 8.360 nan 0.000 0.434 361 S N 1.355 117.101 115.700 0.077 0.000 4.183 361 S HA 0.076 4.547 4.470 0.001 0.000 0.195 361 S C 1.415 176.088 174.600 0.122 0.000 1.421 361 S CA -0.176 58.085 58.200 0.103 0.000 0.920 361 S CB 0.238 63.508 63.200 0.116 0.000 1.525 361 S HN 0.632 nan 8.310 nan 0.000 0.447 362 G N 2.826 111.672 108.800 0.077 0.000 2.552 362 G HA2 -0.245 3.716 3.960 0.001 0.000 0.216 362 G HA3 -0.245 3.716 3.960 0.001 0.000 0.216 362 G C 1.408 176.391 174.900 0.137 0.000 1.240 362 G CA 0.507 45.662 45.100 0.092 0.000 0.796 362 G HN 0.550 nan 8.290 nan 0.000 0.568 363 R N 0.804 121.347 120.500 0.071 0.000 2.153 363 R HA -0.170 4.170 4.340 0.001 0.000 0.252 363 R C 2.767 179.136 176.300 0.115 0.000 1.158 363 R CA 1.818 57.980 56.100 0.104 0.000 0.975 363 R CB -0.552 29.885 30.300 0.228 0.000 0.871 363 R HN 0.310 nan 8.270 nan 0.000 0.450 364 A N 0.388 123.274 122.820 0.110 0.000 1.917 364 A HA -0.174 4.147 4.320 0.001 0.000 0.219 364 A C 2.251 179.917 177.584 0.136 0.000 1.182 364 A CA 2.151 54.246 52.037 0.098 0.000 0.633 364 A CB -0.630 18.423 19.000 0.089 0.000 0.819 364 A HN 0.391 nan 8.150 nan 0.000 0.448 365 V N -2.610 117.389 119.914 0.143 0.000 2.725 365 V HA -0.061 4.060 4.120 0.001 0.000 0.247 365 V C 2.321 178.467 176.094 0.086 0.000 1.058 365 V CA 2.044 64.414 62.300 0.117 0.000 1.080 365 V CB -1.447 30.416 31.823 0.067 0.000 0.713 365 V HN 0.626 nan 8.190 nan 0.000 0.465 366 T N -1.699 112.914 114.554 0.098 0.000 2.978 366 T HA 0.182 4.532 4.350 0.001 0.000 0.262 366 T C 2.028 176.894 174.700 0.277 0.000 1.063 366 T CA 1.186 63.354 62.100 0.113 0.000 1.140 366 T CB -0.327 68.613 68.868 0.120 0.000 0.886 366 T HN 0.917 nan 8.240 nan 0.000 0.470 367 A N 3.626 126.557 122.820 0.184 0.000 1.900 367 A HA -0.286 4.035 4.320 0.001 0.000 0.250 367 A C 1.556 179.254 177.584 0.189 0.000 2.132 367 A CA 2.179 54.273 52.037 0.096 0.000 0.861 367 A CB -1.792 17.077 19.000 -0.218 0.000 0.830 367 A HN 0.968 nan 8.150 nan 0.000 0.499 368 H N -2.032 117.150 119.070 0.187 0.000 2.432 368 H HA 0.480 5.037 4.556 0.001 0.000 0.226 368 H C 0.462 175.933 175.328 0.237 0.000 1.634 368 H CA 0.075 56.276 56.048 0.255 0.000 1.253 368 H CB -0.276 29.712 29.762 0.377 0.000 1.584 368 H HN 0.883 nan 8.280 nan 0.000 0.545 369 H N 0.446 119.670 119.070 0.257 0.000 3.058 369 H HA 0.135 4.692 4.556 0.001 0.000 0.266 369 H C -0.535 174.949 175.328 0.261 0.000 1.135 369 H CA 0.006 56.157 56.048 0.173 0.000 1.174 369 H CB 1.110 30.896 29.762 0.040 0.000 1.581 369 H HN 0.411 nan 8.280 nan 0.000 0.553 370 T N 0.847 115.244 114.554 -0.260 0.000 2.916 370 T HA 0.542 4.893 4.350 0.001 0.000 0.298 370 T C -1.429 173.253 174.700 -0.029 0.000 1.031 370 T CA -0.492 61.456 62.100 -0.254 0.000 0.993 370 T CB 1.860 70.397 68.868 -0.552 0.000 1.045 370 T HN 0.039 nan 8.240 nan 0.000 0.454 371 V N 5.859 125.783 119.914 0.016 0.000 2.487 371 V HA 0.514 4.634 4.120 0.001 0.000 0.298 371 V C -0.213 175.812 176.094 -0.116 0.000 1.028 371 V CA -1.094 61.121 62.300 -0.142 0.000 0.860 371 V CB 1.716 33.419 31.823 -0.200 0.000 0.991 371 V HN 0.846 nan 8.190 nan 0.000 0.427 372 L N 6.311 127.424 121.223 -0.184 0.000 2.305 372 L HA 0.615 4.956 4.340 0.001 0.000 0.281 372 L C -0.708 176.138 176.870 -0.039 0.000 1.085 372 L CA 0.296 55.062 54.840 -0.123 0.000 0.813 372 L CB 1.520 43.420 42.059 -0.266 0.000 1.157 372 L HN 0.497 nan 8.230 nan 0.000 0.436 373 V N 4.743 124.664 119.914 0.012 0.000 2.588 373 V HA 0.630 4.751 4.120 0.001 0.000 0.304 373 V C -0.068 176.030 176.094 0.006 0.000 1.042 373 V CA -0.397 61.904 62.300 0.001 0.000 0.877 373 V CB 1.894 33.728 31.823 0.019 0.000 0.996 373 V HN 0.953 nan 8.190 nan 0.000 0.425 374 S N 2.436 118.124 115.700 -0.020 0.000 2.776 374 S HA 0.666 5.137 4.470 0.001 0.000 0.292 374 S C -1.295 173.292 174.600 -0.021 0.000 1.187 374 S CA -0.712 57.477 58.200 -0.017 0.000 0.834 374 S CB 2.062 65.241 63.200 -0.036 0.000 1.199 374 S HN 0.980 nan 8.310 nan 0.000 0.514 375 N N 0.433 119.134 118.700 0.002 0.000 2.457 375 N HA 0.480 5.221 4.740 0.001 0.000 0.290 375 N C -1.253 174.250 175.510 -0.012 0.000 1.232 375 N CA -0.747 52.296 53.050 -0.012 0.000 0.852 375 N CB 0.159 38.652 38.487 0.010 0.000 1.313 375 N HN 0.384 nan 8.380 nan 0.000 0.522 376 I N 1.519 122.052 120.570 -0.061 0.000 2.337 376 I HA 0.134 4.304 4.170 0.001 0.000 0.291 376 I C 0.894 176.893 176.117 -0.195 0.000 1.046 376 I CA -0.534 60.710 61.300 -0.093 0.000 1.324 376 I CB 0.144 38.056 38.000 -0.146 0.000 1.409 376 I HN 0.519 nan 8.210 nan 0.000 0.494 377 I N 4.342 124.846 120.570 -0.110 0.000 3.419 377 I HA 0.238 4.409 4.170 0.001 0.000 0.286 377 I C 1.073 177.034 176.117 -0.259 0.000 1.268 377 I CA 0.278 61.486 61.300 -0.153 0.000 1.414 377 I CB -0.744 37.246 38.000 -0.015 0.000 1.074 377 I HN 0.688 nan 8.210 nan 0.000 0.457 378 G N 0.734 109.416 108.800 -0.197 0.000 2.442 378 G HA2 0.503 4.463 3.960 0.001 0.000 0.296 378 G HA3 0.503 4.463 3.960 0.001 0.000 0.296 378 G C -1.376 173.628 174.900 0.173 0.000 1.564 378 G CA -0.290 44.771 45.100 -0.066 0.000 0.828 378 G HN -0.029 nan 8.290 nan 0.000 0.571 379 V N -2.119 117.923 119.914 0.214 0.000 2.914 379 V HA 0.914 5.035 4.120 0.001 0.000 0.314 379 V C -0.878 175.369 176.094 0.254 0.000 1.084 379 V CA -1.200 61.256 62.300 0.259 0.000 0.963 379 V CB 2.358 34.332 31.823 0.251 0.000 1.025 379 V HN 0.602 nan 8.190 nan 0.000 0.432 380 E N 2.779 123.116 120.200 0.227 0.000 2.683 380 E HA 0.331 4.682 4.350 0.001 0.000 0.224 380 E C -0.546 176.128 176.600 0.123 0.000 1.046 380 E CA -0.220 56.289 56.400 0.182 0.000 0.811 380 E CB 1.336 31.159 29.700 0.206 0.000 1.296 380 E HN 0.773 nan 8.360 nan 0.000 0.421 381 R N 2.640 123.208 120.500 0.113 0.000 2.404 381 R HA 0.216 4.556 4.340 0.001 0.000 0.291 381 R C 0.099 176.445 176.300 0.075 0.000 1.025 381 R CA -0.393 55.755 56.100 0.081 0.000 0.991 381 R CB 0.696 31.036 30.300 0.067 0.000 1.053 381 R HN 0.401 nan 8.270 nan 0.000 0.479 382 N N 1.603 120.344 118.700 0.068 0.000 2.482 382 N HA -0.016 4.725 4.740 0.001 0.000 0.260 382 N C -1.148 174.414 175.510 0.087 0.000 1.236 382 N CA -0.680 52.414 53.050 0.074 0.000 0.938 382 N CB 0.837 39.366 38.487 0.069 0.000 1.128 382 N HN 0.584 nan 8.380 nan 0.000 0.448 383 E N 1.317 121.566 120.200 0.081 0.000 2.101 383 E HA 0.039 4.390 4.350 0.001 0.000 0.260 383 E C -1.279 175.381 176.600 0.100 0.000 0.897 383 E CA -0.772 55.675 56.400 0.078 0.000 0.744 383 E CB 0.517 30.242 29.700 0.042 0.000 1.140 383 E HN 0.659 nan 8.360 nan 0.000 0.419 384 Y N 3.232 123.509 120.300 -0.038 0.000 2.569 384 Y HA 0.064 4.615 4.550 0.001 0.000 0.332 384 Y C -0.720 175.109 175.900 -0.118 0.000 1.120 384 Y CA 0.294 58.321 58.100 -0.121 0.000 1.416 384 Y CB 0.761 39.040 38.460 -0.302 0.000 1.210 384 Y HN 0.407 nan 8.280 nan 0.000 0.528 385 T N 6.265 120.593 114.554 -0.376 0.000 2.991 385 T HA 0.216 4.566 4.350 0.001 0.000 0.303 385 T C -0.881 173.530 174.700 -0.482 0.000 1.015 385 T CA -0.810 61.019 62.100 -0.452 0.000 1.007 385 T CB 1.022 69.766 68.868 -0.205 0.000 1.034 385 T HN 0.596 nan 8.240 nan 0.000 0.446 386 V N 3.109 122.737 119.914 -0.477 0.000 2.475 386 V HA 0.267 4.388 4.120 0.001 0.000 0.292 386 V C -1.737 174.247 176.094 -0.183 0.000 1.003 386 V CA -1.357 60.792 62.300 -0.251 0.000 1.120 386 V CB -0.894 30.877 31.823 -0.087 0.000 0.937 386 V HN 0.649 nan 8.190 nan 0.000 0.476 387 P HA 0.274 nan 4.420 nan 0.000 0.272 387 P C -0.105 177.278 177.300 0.137 0.000 1.223 387 P CA 0.100 63.083 63.100 -0.195 0.000 0.784 387 P CB 0.910 32.294 31.700 -0.527 0.000 0.923 388 T N -2.082 112.554 114.554 0.138 0.000 2.829 388 T HA 0.629 4.980 4.350 0.001 0.000 0.280 388 T C 0.228 174.638 174.700 -0.483 0.000 0.999 388 T CA -0.879 61.199 62.100 -0.037 0.000 0.983 388 T CB 1.146 69.999 68.868 -0.026 0.000 0.968 388 T HN 0.557 nan 8.240 nan 0.000 0.446 389 A N 4.865 126.960 122.820 -1.207 0.000 2.624 389 A HA 0.387 4.708 4.320 0.001 0.000 0.231 389 A C -1.471 175.570 177.584 -0.905 0.000 1.034 389 A CA -0.573 50.438 52.037 -1.709 0.000 0.754 389 A CB -0.786 17.582 19.000 -1.052 0.000 0.953 389 A HN 0.814 nan 8.150 nan 0.000 0.509 390 P HA 0.390 nan 4.420 nan 0.000 0.277 390 P C -0.214 176.740 177.300 -0.577 0.000 1.271 390 P CA -0.131 62.388 63.100 -0.968 0.000 0.795 390 P CB 0.674 31.631 31.700 -1.238 0.000 1.101 391 A N 1.063 123.598 122.820 -0.474 0.000 2.548 391 A HA -0.027 4.294 4.320 0.001 0.000 0.247 391 A C 1.603 179.051 177.584 -0.227 0.000 1.067 391 A CA 0.107 51.969 52.037 -0.290 0.000 0.757 391 A CB -0.709 18.154 19.000 -0.229 0.000 0.996 391 A HN 0.662 nan 8.150 nan 0.000 0.504 392 E N 1.827 121.922 120.200 -0.174 0.000 2.187 392 E HA -0.219 4.131 4.350 0.001 0.000 0.199 392 E C -0.138 176.408 176.600 -0.091 0.000 1.004 392 E CA 1.537 57.865 56.400 -0.120 0.000 0.813 392 E CB -0.038 29.609 29.700 -0.087 0.000 0.736 392 E HN 0.600 nan 8.360 nan 0.000 0.468 393 D N 0.893 121.236 120.400 -0.095 0.000 3.133 393 D HA 0.381 5.022 4.640 0.001 0.000 0.288 393 D C -0.957 175.292 176.300 -0.084 0.000 1.346 393 D CA 0.002 53.958 54.000 -0.074 0.000 0.934 393 D CB 0.715 41.477 40.800 -0.063 0.000 1.042 393 D HN 0.266 nan 8.370 nan 0.000 0.506 394 A N 1.455 124.218 122.820 -0.094 0.000 2.322 394 A HA 0.720 5.041 4.320 0.001 0.000 0.327 394 A C -2.337 175.226 177.584 -0.035 0.000 1.134 394 A CA -1.241 50.743 52.037 -0.089 0.000 0.831 394 A CB 0.971 19.873 19.000 -0.162 0.000 1.288 394 A HN 0.036 nan 8.150 nan 0.000 0.472 395 P HA -0.048 nan 4.420 nan 0.000 0.269 395 P C 0.572 177.936 177.300 0.106 0.000 1.205 395 P CA -0.136 62.996 63.100 0.053 0.000 0.780 395 P CB 0.474 32.246 31.700 0.119 0.000 0.858 396 R N 1.993 122.557 120.500 0.107 0.000 2.096 396 R HA -0.121 4.219 4.340 0.001 0.000 0.235 396 R C 1.810 178.210 176.300 0.166 0.000 1.127 396 R CA 1.783 57.953 56.100 0.118 0.000 0.968 396 R CB -1.858 28.501 30.300 0.097 0.000 0.861 396 R HN 0.448 nan 8.270 nan 0.000 0.440 397 A N 1.786 124.739 122.820 0.222 0.000 1.917 397 A HA -0.135 4.186 4.320 0.001 0.000 0.219 397 A C 2.282 179.997 177.584 0.217 0.000 1.182 397 A CA 1.483 53.650 52.037 0.217 0.000 0.633 397 A CB -0.425 18.727 19.000 0.253 0.000 0.819 397 A HN 0.261 nan 8.150 nan 0.000 0.448 398 L N -1.258 120.114 121.223 0.249 0.000 2.156 398 L HA -0.071 4.270 4.340 0.001 0.000 0.208 398 L C 2.572 179.631 176.870 0.314 0.000 1.095 398 L CA 1.821 56.848 54.840 0.313 0.000 0.770 398 L CB -0.602 41.547 42.059 0.149 0.000 0.914 398 L HN 0.428 nan 8.230 nan 0.000 0.439 399 Q N -1.405 118.517 119.800 0.203 0.000 2.119 399 Q HA -0.175 4.166 4.340 0.001 0.000 0.201 399 Q C 2.572 178.739 176.000 0.279 0.000 0.972 399 Q CA 1.715 57.647 55.803 0.215 0.000 0.847 399 Q CB -0.145 28.674 28.738 0.136 0.000 0.903 399 Q HN 0.401 nan 8.270 nan 0.000 0.433 400 S N -0.819 115.019 115.700 0.230 0.000 2.368 400 S HA -0.137 4.334 4.470 0.001 0.000 0.225 400 S C 1.811 176.547 174.600 0.226 0.000 1.030 400 S CA 1.254 59.575 58.200 0.202 0.000 0.999 400 S CB -0.104 63.197 63.200 0.167 0.000 0.844 400 S HN 0.389 nan 8.310 nan 0.000 0.459 401 M N -0.231 119.533 119.600 0.273 0.000 2.159 401 M HA -0.098 4.382 4.480 0.001 0.000 0.263 401 M C 2.111 178.596 176.300 0.308 0.000 1.063 401 M CA 1.356 56.811 55.300 0.257 0.000 1.110 401 M CB -0.462 32.286 32.600 0.246 0.000 1.374 401 M HN 0.604 nan 8.290 nan 0.000 0.411 402 W N 1.420 122.890 121.300 0.284 0.000 2.418 402 W HA -0.157 4.503 4.660 0.001 0.000 0.292 402 W C 1.824 178.483 176.519 0.234 0.000 1.213 402 W CA 1.445 58.969 57.345 0.299 0.000 1.283 402 W CB -0.209 29.457 29.460 0.344 0.000 1.119 402 W HN 0.324 nan 8.180 nan 0.000 0.542 403 E N -0.253 120.081 120.200 0.223 0.000 2.085 403 E HA -0.212 4.138 4.350 0.001 0.000 0.194 403 E C 1.960 178.538 176.600 -0.035 0.000 0.994 403 E CA 2.313 58.768 56.400 0.092 0.000 0.801 403 E CB -0.136 29.651 29.700 0.145 0.000 0.743 403 E HN 0.039 nan 8.360 nan 0.000 0.453 404 T N 0.532 115.081 114.554 -0.008 0.000 2.904 404 T HA -0.151 4.200 4.350 0.001 0.000 0.267 404 T C 1.174 175.694 174.700 -0.299 0.000 1.059 404 T CA 0.932 62.954 62.100 -0.130 0.000 1.137 404 T CB -0.318 68.543 68.868 -0.013 0.000 0.879 404 T HN 0.443 nan 8.240 nan 0.000 0.467 405 W N 1.911 122.964 121.300 -0.412 0.000 2.379 405 W HA -0.105 4.555 4.660 0.001 0.000 0.307 405 W C 1.878 178.078 176.519 -0.532 0.000 1.200 405 W CA 0.936 57.986 57.345 -0.493 0.000 1.297 405 W CB -0.312 28.781 29.460 -0.613 0.000 1.140 405 W HN 0.289 nan 8.180 nan 0.000 0.507 406 Q N 0.256 119.712 119.800 -0.573 0.000 2.124 406 Q HA -0.274 4.066 4.340 0.001 0.000 0.202 406 Q C 2.173 177.936 176.000 -0.394 0.000 0.977 406 Q CA 2.021 57.504 55.803 -0.533 0.000 0.850 406 Q CB -0.378 28.144 28.738 -0.361 0.000 0.901 406 Q HN 0.423 nan 8.270 nan 0.000 0.429 407 E N 0.157 120.132 120.200 -0.376 0.000 2.204 407 E HA -0.172 4.179 4.350 0.001 0.000 0.194 407 E C 1.842 178.115 176.600 -0.545 0.000 0.989 407 E CA 0.689 56.894 56.400 -0.325 0.000 0.824 407 E CB 0.099 29.661 29.700 -0.230 0.000 0.756 407 E HN 0.341 nan 8.360 nan 0.000 0.477 408 M N -0.213 118.853 119.600 -0.889 0.000 2.156 408 M HA -0.080 4.401 4.480 0.001 0.000 0.264 408 M C 0.345 176.285 176.300 -0.600 0.000 1.067 408 M CA 0.948 55.609 55.300 -1.064 0.000 1.131 408 M CB 0.010 31.996 32.600 -1.023 0.000 1.368 408 M HN 0.093 nan 8.290 nan 0.000 0.416 409 H N 0.931 119.624 119.070 -0.630 0.000 2.820 409 H HA 0.442 4.999 4.556 0.001 0.000 0.248 409 H C -1.020 174.146 175.328 -0.269 0.000 1.714 409 H CA 0.104 55.887 56.048 -0.442 0.000 1.334 409 H CB -0.347 29.085 29.762 -0.550 0.000 1.693 409 H HN 0.212 nan 8.280 nan 0.000 0.548 410 E N 1.609 121.741 120.200 -0.112 0.000 3.097 410 E HA 0.069 4.420 4.350 0.001 0.000 0.325 410 E C -2.758 173.831 176.600 -0.018 0.000 1.093 410 E CA -1.438 54.931 56.400 -0.053 0.000 0.893 410 E CB 1.039 30.709 29.700 -0.049 0.000 1.209 410 E HN 0.183 nan 8.360 nan 0.000 0.462 411 P HA 0.033 nan 4.420 nan 0.000 0.248 411 P C -0.228 177.090 177.300 0.030 0.000 1.254 411 P CA 0.637 63.743 63.100 0.010 0.000 1.252 411 P CB 0.366 32.067 31.700 0.002 0.000 1.465 412 G N 2.167 111.003 108.800 0.061 0.000 2.844 412 G HA2 0.299 4.260 3.960 0.001 0.000 0.204 412 G HA3 0.299 4.260 3.960 0.001 0.000 0.204 412 G C -0.794 174.144 174.900 0.062 0.000 1.815 412 G CA -0.047 45.100 45.100 0.078 0.000 0.739 412 G HN 0.335 nan 8.290 nan 0.000 0.807 413 T N 0.241 114.844 114.554 0.081 0.000 2.807 413 T HA 0.458 4.808 4.350 0.001 0.000 0.279 413 T C 0.733 175.375 174.700 -0.096 0.000 0.993 413 T CA -0.461 61.617 62.100 -0.036 0.000 0.970 413 T CB 2.762 71.558 68.868 -0.119 0.000 0.950 413 T HN 0.348 nan 8.240 nan 0.000 0.441 414 R N 1.686 122.132 120.500 -0.089 0.000 2.189 414 R HA 0.227 4.567 4.340 0.001 0.000 0.203 414 R C 2.079 178.284 176.300 -0.158 0.000 1.012 414 R CA 0.478 56.531 56.100 -0.079 0.000 1.015 414 R CB 0.171 30.463 30.300 -0.014 0.000 0.938 414 R HN 0.326 nan 8.270 nan 0.000 0.472 415 R N 0.109 120.510 120.500 -0.165 0.000 2.275 415 R HA 0.027 4.368 4.340 0.001 0.000 0.199 415 R C 1.219 177.365 176.300 -0.256 0.000 0.989 415 R CA 1.086 57.120 56.100 -0.110 0.000 1.016 415 R CB 0.258 30.513 30.300 -0.076 0.000 0.918 415 R HN 0.192 nan 8.270 nan 0.000 0.473 416 S N 0.373 115.780 115.700 -0.489 0.000 2.786 416 S HA -0.038 4.433 4.470 0.001 0.000 0.223 416 S C 1.680 175.613 174.600 -1.111 0.000 0.956 416 S CA 0.201 57.965 58.200 -0.725 0.000 0.961 416 S CB -0.581 62.135 63.200 -0.807 0.000 0.784 416 S HN 0.512 nan 8.310 nan 0.000 0.519 417 L N -0.832 119.940 121.223 -0.750 0.000 2.131 417 L HA 0.244 4.585 4.340 0.001 0.000 0.206 417 L C 2.548 179.253 176.870 -0.276 0.000 1.087 417 L CA 1.099 55.704 54.840 -0.391 0.000 0.767 417 L CB -0.665 41.330 42.059 -0.106 0.000 0.917 417 L HN 0.266 nan 8.230 nan 0.000 0.441 418 R N 0.893 121.177 120.500 -0.360 0.000 2.117 418 R HA -0.233 4.108 4.340 0.001 0.000 0.243 418 R C 2.224 178.235 176.300 -0.482 0.000 1.143 418 R CA 2.080 57.940 56.100 -0.400 0.000 0.968 418 R CB -0.407 29.687 30.300 -0.343 0.000 0.863 418 R HN 0.691 nan 8.270 nan 0.000 0.444 419 E N -1.002 118.984 120.200 -0.358 0.000 2.051 419 E HA -0.159 4.192 4.350 0.001 0.000 0.189 419 E C 1.317 177.917 176.600 0.001 0.000 0.979 419 E CA 0.977 57.253 56.400 -0.206 0.000 0.803 419 E CB -0.168 29.415 29.700 -0.195 0.000 0.761 419 E HN 0.407 nan 8.360 nan 0.000 0.451 420 W N 1.024 122.291 121.300 -0.054 0.000 2.331 420 W HA -0.202 4.459 4.660 0.001 0.000 0.291 420 W C 2.177 178.713 176.519 0.029 0.000 1.214 420 W CA 0.406 57.750 57.345 -0.001 0.000 1.228 420 W CB -0.956 28.495 29.460 -0.016 0.000 1.135 420 W HN 0.251 nan 8.180 nan 0.000 0.537 421 L N -0.125 121.215 121.223 0.194 0.000 2.005 421 L HA -0.211 4.130 4.340 0.001 0.000 0.207 421 L C 2.189 179.207 176.870 0.246 0.000 1.072 421 L CA 2.174 57.112 54.840 0.163 0.000 0.744 421 L CB -1.434 40.635 42.059 0.016 0.000 0.895 421 L HN 0.121 nan 8.230 nan 0.000 0.433 422 H N -0.787 118.353 119.070 0.117 0.000 2.426 422 H HA -0.188 4.369 4.556 0.001 0.000 0.298 422 H C 1.738 177.125 175.328 0.099 0.000 1.107 422 H CA 1.022 57.121 56.048 0.085 0.000 1.298 422 H CB 0.343 30.135 29.762 0.049 0.000 1.377 422 H HN 0.426 nan 8.280 nan 0.000 0.519 423 D N -0.082 120.476 120.400 0.264 0.000 2.084 423 D HA -0.098 4.543 4.640 0.001 0.000 0.196 423 D C 2.326 178.733 176.300 0.178 0.000 0.985 423 D CA 1.013 55.139 54.000 0.209 0.000 0.826 423 D CB -0.365 40.576 40.800 0.235 0.000 0.978 423 D HN 0.122 nan 8.370 nan 0.000 0.456 424 S N 0.433 116.262 115.700 0.215 0.000 2.382 424 S HA -0.170 4.301 4.470 0.001 0.000 0.228 424 S C 1.910 176.551 174.600 0.068 0.000 1.027 424 S CA 0.890 59.213 58.200 0.207 0.000 0.991 424 S CB -0.172 63.247 63.200 0.366 0.000 0.823 424 S HN 0.313 nan 8.310 nan 0.000 0.469 425 Q N 0.251 120.103 119.800 0.087 0.000 2.061 425 Q HA -0.080 4.261 4.340 0.001 0.000 0.204 425 Q C 2.251 178.206 176.000 -0.075 0.000 0.984 425 Q CA 1.401 57.143 55.803 -0.101 0.000 0.846 425 Q CB -0.207 28.560 28.738 0.047 0.000 0.902 425 Q HN 0.507 nan 8.270 nan 0.000 0.421 426 M N 0.365 119.974 119.600 0.016 0.000 2.200 426 M HA -0.174 4.306 4.480 0.001 0.000 0.265 426 M C 0.986 177.322 176.300 0.060 0.000 1.066 426 M CA 1.340 56.667 55.300 0.045 0.000 1.127 426 M CB 0.118 32.752 32.600 0.056 0.000 1.379 426 M HN 0.129 nan 8.290 nan 0.000 0.420 427 D N 0.442 120.864 120.400 0.038 0.000 2.097 427 D HA -0.160 4.481 4.640 0.001 0.000 0.197 427 D C 1.855 178.109 176.300 -0.076 0.000 0.984 427 D CA 1.117 55.130 54.000 0.022 0.000 0.826 427 D CB -0.411 40.426 40.800 0.063 0.000 0.973 427 D HN 0.301 nan 8.370 nan 0.000 0.460 428 L N 0.834 121.966 121.223 -0.151 0.000 2.079 428 L HA -0.186 4.155 4.340 0.001 0.000 0.210 428 L C 2.199 178.877 176.870 -0.321 0.000 1.081 428 L CA 1.842 56.484 54.840 -0.331 0.000 0.752 428 L CB -0.853 40.904 42.059 -0.502 0.000 0.896 428 L HN 0.062 nan 8.230 nan 0.000 0.433 429 H N -1.005 117.942 119.070 -0.204 0.000 2.389 429 H HA -0.118 4.439 4.556 0.001 0.000 0.299 429 H C 1.785 177.097 175.328 -0.026 0.000 1.081 429 H CA 2.088 58.100 56.048 -0.059 0.000 1.345 429 H CB -0.044 29.699 29.762 -0.032 0.000 1.393 429 H HN 0.420 nan 8.280 nan 0.000 0.520 430 D N -0.251 120.107 120.400 -0.071 0.000 2.097 430 D HA -0.114 4.526 4.640 0.001 0.000 0.197 430 D C 2.177 178.350 176.300 -0.212 0.000 0.984 430 D CA 1.744 55.697 54.000 -0.079 0.000 0.826 430 D CB -0.203 40.615 40.800 0.031 0.000 0.973 430 D HN 0.632 nan 8.370 nan 0.000 0.460 431 I N -2.062 118.234 120.570 -0.457 0.000 2.493 431 I HA -0.124 4.047 4.170 0.001 0.000 0.254 431 I C 1.844 177.683 176.117 -0.462 0.000 1.160 431 I CA 1.539 62.198 61.300 -1.068 0.000 1.445 431 I CB -0.619 36.768 38.000 -1.021 0.000 1.086 431 I HN 0.096 nan 8.210 nan 0.000 0.433 432 H N 0.151 119.043 119.070 -0.297 0.000 2.299 432 H HA -0.056 4.501 4.556 0.001 0.000 0.302 432 H C 2.263 177.546 175.328 -0.075 0.000 1.078 432 H CA 1.379 57.324 56.048 -0.171 0.000 1.323 432 H CB 0.165 29.818 29.762 -0.183 0.000 1.381 432 H HN 0.317 nan 8.280 nan 0.000 0.498 433 I N 0.871 121.415 120.570 -0.043 0.000 2.315 433 I HA -0.117 4.054 4.170 0.001 0.000 0.248 433 I C 2.276 178.446 176.117 0.088 0.000 1.117 433 I CA 1.351 62.623 61.300 -0.047 0.000 1.404 433 I CB -0.962 36.916 38.000 -0.203 0.000 1.071 433 I HN 0.294 nan 8.210 nan 0.000 0.419 434 G N -0.556 108.335 108.800 0.152 0.000 2.443 434 G HA2 -0.337 3.624 3.960 0.001 0.000 0.219 434 G HA3 -0.337 3.624 3.960 0.001 0.000 0.219 434 G C 1.621 176.812 174.900 0.484 0.000 1.131 434 G CA 0.711 46.051 45.100 0.401 0.000 0.775 434 G HN 0.514 nan 8.290 nan 0.000 0.547 435 Y N 1.956 122.406 120.300 0.251 0.000 2.242 435 Y HA -0.077 4.474 4.550 0.001 0.000 0.291 435 Y C 2.886 178.864 175.900 0.130 0.000 1.137 435 Y CA 1.800 60.032 58.100 0.220 0.000 1.181 435 Y CB 0.014 38.556 38.460 0.136 0.000 0.989 435 Y HN 0.200 nan 8.280 nan 0.000 0.527 436 S N -0.589 115.226 115.700 0.190 0.000 2.406 436 S HA -0.138 4.333 4.470 0.001 0.000 0.228 436 S C 1.944 176.538 174.600 -0.011 0.000 1.020 436 S CA 1.201 59.438 58.200 0.062 0.000 0.965 436 S CB -0.298 62.966 63.200 0.108 0.000 0.798 436 S HN 0.477 nan 8.310 nan 0.000 0.488 437 S N 0.329 116.048 115.700 0.032 0.000 2.515 437 S HA 0.206 4.677 4.470 0.001 0.000 0.231 437 S C 1.488 176.068 174.600 -0.033 0.000 0.987 437 S CA 0.633 58.840 58.200 0.012 0.000 0.936 437 S CB -0.222 63.006 63.200 0.047 0.000 0.766 437 S HN 0.763 nan 8.310 nan 0.000 0.528 438 G N 1.963 110.717 108.800 -0.076 0.000 2.165 438 G HA2 -0.223 3.737 3.960 0.001 0.000 0.226 438 G HA3 -0.223 3.737 3.960 0.001 0.000 0.226 438 G C 0.308 175.148 174.900 -0.100 0.000 1.035 438 G CA 0.251 45.278 45.100 -0.122 0.000 0.744 438 G HN 0.759 nan 8.290 nan 0.000 0.501 439 I N -3.921 116.603 120.570 -0.076 0.000 3.658 439 I HA 0.764 4.935 4.170 0.001 0.000 0.328 439 I C -0.518 175.317 176.117 -0.471 0.000 1.567 439 I CA -0.860 60.305 61.300 -0.226 0.000 1.078 439 I CB 0.181 38.032 38.000 -0.248 0.000 1.267 439 I HN -0.061 nan 8.210 nan 0.000 0.495 440 F N 1.047 120.996 119.950 -0.003 0.000 2.622 440 F HA 0.403 4.931 4.527 0.001 0.000 0.318 440 F C 0.259 176.122 175.800 0.105 0.000 1.135 440 F CA -0.745 57.301 58.000 0.076 0.000 1.015 440 F CB 2.063 41.163 39.000 0.167 0.000 1.275 440 F HN 0.117 nan 8.300 nan 0.000 0.457 441 S N 2.692 118.573 115.700 0.302 0.000 2.601 441 S HA 0.338 4.808 4.470 0.001 0.000 0.271 441 S C 0.945 175.768 174.600 0.371 0.000 1.305 441 S CA -0.738 57.607 58.200 0.243 0.000 1.022 441 S CB 1.364 64.644 63.200 0.133 0.000 0.940 441 S HN 0.779 nan 8.310 nan 0.000 0.525 442 L N 1.557 123.017 121.223 0.395 0.000 2.081 442 L HA -0.138 4.203 4.340 0.001 0.000 0.212 442 L C 2.387 179.369 176.870 0.186 0.000 1.080 442 L CA 1.985 57.032 54.840 0.346 0.000 0.754 442 L CB -1.010 41.212 42.059 0.273 0.000 0.893 442 L HN 0.812 nan 8.230 nan 0.000 0.433 443 Q N -0.095 119.800 119.800 0.159 0.000 2.124 443 Q HA -0.189 4.152 4.340 0.001 0.000 0.202 443 Q C 2.159 178.255 176.000 0.161 0.000 0.977 443 Q CA 2.058 57.935 55.803 0.124 0.000 0.850 443 Q CB -0.240 28.544 28.738 0.076 0.000 0.901 443 Q HN 0.645 nan 8.270 nan 0.000 0.429 444 E N -0.070 120.239 120.200 0.182 0.000 2.072 444 E HA -0.154 4.197 4.350 0.001 0.000 0.190 444 E C 2.016 178.754 176.600 0.231 0.000 0.982 444 E CA 0.780 57.311 56.400 0.219 0.000 0.803 444 E CB -0.115 29.751 29.700 0.276 0.000 0.755 444 E HN 0.232 nan 8.360 nan 0.000 0.453 445 R N 1.030 121.629 120.500 0.165 0.000 2.081 445 R HA -0.127 4.214 4.340 0.001 0.000 0.235 445 R C 2.232 178.549 176.300 0.028 0.000 1.131 445 R CA 1.430 57.547 56.100 0.028 0.000 0.960 445 R CB -0.244 29.986 30.300 -0.117 0.000 0.856 445 R HN 0.141 nan 8.270 nan 0.000 0.436 446 A N 0.035 122.895 122.820 0.068 0.000 1.972 446 A HA -0.193 4.128 4.320 0.001 0.000 0.219 446 A C 1.868 179.504 177.584 0.087 0.000 1.169 446 A CA 1.237 53.310 52.037 0.061 0.000 0.635 446 A CB -0.919 18.124 19.000 0.072 0.000 0.810 446 A HN 0.742 nan 8.150 nan 0.000 0.446 447 W N 0.475 121.759 121.300 -0.026 0.000 2.378 447 W HA -0.028 4.633 4.660 0.001 0.000 0.313 447 W C 2.502 179.000 176.519 -0.036 0.000 1.197 447 W CA 2.069 59.394 57.345 -0.033 0.000 1.304 447 W CB -0.348 29.093 29.460 -0.031 0.000 1.148 447 W HN 0.322 nan 8.180 nan 0.000 0.494 448 A N 0.464 123.350 122.820 0.110 0.000 1.883 448 A HA -0.281 4.039 4.320 0.001 0.000 0.217 448 A C 1.801 179.263 177.584 -0.203 0.000 1.186 448 A CA 2.168 54.141 52.037 -0.105 0.000 0.624 448 A CB -1.071 17.918 19.000 -0.018 0.000 0.822 448 A HN 0.501 nan 8.150 nan 0.000 0.444 449 E N -0.777 119.340 120.200 -0.139 0.000 2.097 449 E HA -0.238 4.113 4.350 0.001 0.000 0.196 449 E C 2.314 178.879 176.600 -0.058 0.000 1.000 449 E CA 1.394 57.749 56.400 -0.074 0.000 0.804 449 E CB -0.144 29.544 29.700 -0.020 0.000 0.740 449 E HN 0.545 nan 8.360 nan 0.000 0.454 450 Q N 0.340 120.048 119.800 -0.153 0.000 2.123 450 Q HA -0.094 4.247 4.340 0.001 0.000 0.199 450 Q C 2.347 178.179 176.000 -0.279 0.000 0.966 450 Q CA 0.736 56.429 55.803 -0.182 0.000 0.845 450 Q CB -0.368 28.249 28.738 -0.202 0.000 0.907 450 Q HN 0.325 nan 8.270 nan 0.000 0.439 451 L N -0.183 120.743 121.223 -0.496 0.000 2.046 451 L HA -0.217 4.124 4.340 0.001 0.000 0.208 451 L C 2.398 179.127 176.870 -0.235 0.000 1.077 451 L CA 1.424 55.931 54.840 -0.554 0.000 0.747 451 L CB -0.363 41.185 42.059 -0.851 0.000 0.896 451 L HN 0.145 nan 8.230 nan 0.000 0.432 452 Y N 0.092 120.249 120.300 -0.239 0.000 2.181 452 Y HA -0.233 4.318 4.550 0.001 0.000 0.288 452 Y C 2.130 177.996 175.900 -0.057 0.000 1.146 452 Y CA 1.761 59.795 58.100 -0.110 0.000 1.164 452 Y CB -0.245 38.158 38.460 -0.095 0.000 0.982 452 Y HN 0.128 nan 8.280 nan 0.000 0.515 453 L N -0.926 120.239 121.223 -0.097 0.000 2.201 453 L HA -0.201 4.140 4.340 0.001 0.000 0.212 453 L C 2.345 179.149 176.870 -0.111 0.000 1.105 453 L CA 1.381 56.136 54.840 -0.140 0.000 0.775 453 L CB -0.535 41.514 42.059 -0.017 0.000 0.913 453 L HN 0.173 nan 8.230 nan 0.000 0.440 454 S N -0.847 114.810 115.700 -0.071 0.000 2.395 454 S HA -0.061 4.410 4.470 0.001 0.000 0.225 454 S C 1.998 176.639 174.600 0.069 0.000 1.027 454 S CA 0.796 59.019 58.200 0.038 0.000 0.965 454 S CB -0.043 63.167 63.200 0.016 0.000 0.812 454 S HN 0.254 nan 8.310 nan 0.000 0.482 455 M N 1.174 120.792 119.600 0.030 0.000 2.149 455 M HA -0.115 4.366 4.480 0.001 0.000 0.261 455 M C 2.235 178.506 176.300 -0.050 0.000 1.064 455 M CA 1.108 56.464 55.300 0.094 0.000 1.102 455 M CB -1.595 31.028 32.600 0.039 0.000 1.369 455 M HN 0.404 nan 8.290 nan 0.000 0.408 456 C N -1.263 117.906 119.300 -0.220 0.000 2.489 456 C HA -0.136 4.325 4.460 0.001 0.000 0.279 456 C C 2.780 177.685 174.990 -0.142 0.000 1.266 456 C CA 0.706 59.587 59.018 -0.228 0.000 1.707 456 C CB -1.427 26.112 27.740 -0.335 0.000 2.059 456 C HN 0.558 nan 8.230 nan 0.000 0.481 457 H N 1.226 120.136 119.070 -0.268 0.000 2.426 457 H HA -0.124 4.433 4.556 0.001 0.000 0.298 457 H C 1.979 177.125 175.328 -0.304 0.000 1.107 457 H CA 1.689 57.530 56.048 -0.346 0.000 1.298 457 H CB -0.073 29.301 29.762 -0.647 0.000 1.377 457 H HN 0.499 nan 8.280 nan 0.000 0.519 458 E N -0.073 120.122 120.200 -0.009 0.000 2.060 458 E HA -0.049 4.302 4.350 0.001 0.000 0.189 458 E C 2.655 179.231 176.600 -0.040 0.000 0.974 458 E CA 0.713 57.115 56.400 0.004 0.000 0.808 458 E CB -0.238 29.484 29.700 0.037 0.000 0.768 458 E HN 0.299 nan 8.360 nan 0.000 0.453 459 V N 1.628 121.522 119.914 -0.033 0.000 2.515 459 V HA -0.219 3.901 4.120 0.001 0.000 0.250 459 V C 2.528 178.586 176.094 -0.061 0.000 1.058 459 V CA 1.597 63.883 62.300 -0.023 0.000 1.064 459 V CB -0.479 31.338 31.823 -0.010 0.000 0.675 459 V HN 0.268 nan 8.190 nan 0.000 0.461 460 Q N -0.119 119.619 119.800 -0.105 0.000 2.291 460 Q HA -0.211 4.130 4.340 0.001 0.000 0.205 460 Q C 2.156 178.089 176.000 -0.113 0.000 0.970 460 Q CA 1.385 57.112 55.803 -0.126 0.000 0.876 460 Q CB 0.088 28.710 28.738 -0.193 0.000 0.935 460 Q HN 0.645 nan 8.270 nan 0.000 0.455 461 K N -0.312 120.024 120.400 -0.106 0.000 2.044 461 K HA -0.076 4.245 4.320 0.001 0.000 0.204 461 K C 2.156 178.734 176.600 -0.038 0.000 1.045 461 K CA 1.191 57.432 56.287 -0.076 0.000 0.951 461 K CB 0.009 32.475 32.500 -0.057 0.000 0.738 461 K HN 0.211 nan 8.250 nan 0.000 0.443 462 Q N 0.785 120.571 119.800 -0.023 0.000 2.124 462 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 462 Q C 0.315 176.343 176.000 0.046 0.000 0.977 462 Q CA 0.329 56.136 55.803 0.007 0.000 0.850 462 Q CB -0.323 28.429 28.738 0.024 0.000 0.901 462 Q HN 0.111 nan 8.270 nan 0.000 0.429 463 L N 2.375 123.634 121.223 0.060 0.000 2.667 463 L HA -0.159 4.182 4.340 0.001 0.000 0.296 463 L C -0.168 176.781 176.870 0.132 0.000 1.252 463 L CA 1.151 56.087 54.840 0.161 0.000 0.891 463 L CB 0.049 42.135 42.059 0.044 0.000 1.141 463 L HN 0.060 nan 8.230 nan 0.000 0.501 464 D N 5.753 126.257 120.400 0.173 0.000 2.381 464 D HA 0.342 4.982 4.640 0.001 0.000 0.235 464 D C -1.651 174.638 176.300 -0.018 0.000 1.068 464 D CA -1.694 52.283 54.000 -0.039 0.000 0.832 464 D CB 1.493 42.160 40.800 -0.222 0.000 1.101 464 D HN 0.297 nan 8.370 nan 0.000 0.515 465 P HA -0.188 nan 4.420 nan 0.000 0.222 465 P C 0.998 178.283 177.300 -0.025 0.000 1.147 465 P CA 0.843 63.936 63.100 -0.012 0.000 0.790 465 P CB 0.416 32.105 31.700 -0.020 0.000 0.780 466 Q N 0.337 120.107 119.800 -0.050 0.000 2.354 466 Q HA -0.003 4.337 4.340 0.001 0.000 0.203 466 Q C 0.660 176.619 176.000 -0.069 0.000 0.933 466 Q CA 0.033 55.803 55.803 -0.055 0.000 0.901 466 Q CB -0.191 28.511 28.738 -0.060 0.000 1.007 466 Q HN 0.292 nan 8.270 nan 0.000 0.495 467 N N 0.702 119.336 118.700 -0.110 0.000 2.470 467 N HA -0.022 4.719 4.740 0.001 0.000 0.268 467 N C 0.958 176.446 175.510 -0.036 0.000 1.136 467 N CA -0.174 52.792 53.050 -0.140 0.000 0.961 467 N CB 0.742 38.993 38.487 -0.394 0.000 1.067 467 N HN 0.094 nan 8.380 nan 0.000 0.468 468 R N 3.548 124.036 120.500 -0.021 0.000 2.096 468 R HA -0.125 4.216 4.340 0.001 0.000 0.235 468 R C 1.381 177.706 176.300 0.042 0.000 1.127 468 R CA 1.770 57.874 56.100 0.006 0.000 0.968 468 R CB -0.144 30.153 30.300 -0.005 0.000 0.861 468 R HN 0.673 nan 8.270 nan 0.000 0.440 469 A N -0.719 122.148 122.820 0.078 0.000 2.238 469 A HA -0.012 4.309 4.320 0.001 0.000 0.208 469 A C 0.700 178.388 177.584 0.173 0.000 1.177 469 A CA 0.660 52.764 52.037 0.112 0.000 0.804 469 A CB -0.248 18.818 19.000 0.110 0.000 0.823 469 A HN 0.425 nan 8.150 nan 0.000 0.482 470 H N -1.370 117.673 119.070 -0.045 0.000 2.705 470 H HA 0.256 4.813 4.556 0.001 0.000 0.269 470 H C 1.967 177.271 175.328 -0.039 0.000 0.998 470 H CA 0.247 56.267 56.048 -0.048 0.000 1.193 470 H CB 0.247 29.977 29.762 -0.053 0.000 1.485 470 H HN 0.423 nan 8.280 nan 0.000 0.521 471 R N 0.461 121.004 120.500 0.072 0.000 2.100 471 R HA 0.014 4.355 4.340 0.001 0.000 0.220 471 R C -0.760 175.544 176.300 0.007 0.000 1.091 471 R CA 0.757 56.873 56.100 0.027 0.000 0.986 471 R CB -0.713 29.597 30.300 0.016 0.000 0.888 471 R HN 0.296 nan 8.270 nan 0.000 0.444 472 P HA -0.118 nan 4.420 nan 0.000 0.226 472 P C 1.094 178.391 177.300 -0.005 0.000 1.153 472 P CA 1.319 64.420 63.100 0.002 0.000 0.777 472 P CB 0.151 31.855 31.700 0.008 0.000 0.794 473 I N -1.169 119.385 120.570 -0.026 0.000 2.810 473 I HA -0.059 4.111 4.170 0.001 0.000 0.262 473 I C 2.304 178.397 176.117 -0.040 0.000 1.131 473 I CA 0.207 61.481 61.300 -0.043 0.000 1.453 473 I CB -0.252 37.684 38.000 -0.106 0.000 1.161 473 I HN -0.200 nan 8.210 nan 0.000 0.444 474 I N 1.656 122.205 120.570 -0.035 0.000 2.399 474 I HA -0.331 3.840 4.170 0.001 0.000 0.254 474 I C 1.475 177.575 176.117 -0.028 0.000 1.146 474 I CA 2.012 63.293 61.300 -0.032 0.000 1.412 474 I CB -0.353 37.638 38.000 -0.014 0.000 1.076 474 I HN 0.166 nan 8.210 nan 0.000 0.432 475 D N -0.687 119.703 120.400 -0.018 0.000 2.213 475 D HA -0.133 4.508 4.640 0.001 0.000 0.205 475 D C 2.056 178.353 176.300 -0.005 0.000 0.961 475 D CA 0.751 54.744 54.000 -0.011 0.000 0.853 475 D CB 0.010 40.806 40.800 -0.005 0.000 0.967 475 D HN 0.376 nan 8.370 nan 0.000 0.496 476 E N 0.458 120.657 120.200 -0.002 0.000 2.152 476 E HA -0.064 4.287 4.350 0.001 0.000 0.192 476 E C 1.693 178.295 176.600 0.004 0.000 0.983 476 E CA 0.905 57.312 56.400 0.012 0.000 0.818 476 E CB -0.244 29.471 29.700 0.024 0.000 0.758 476 E HN 0.273 nan 8.360 nan 0.000 0.467 477 L N 0.098 121.309 121.223 -0.020 0.000 2.179 477 L HA -0.031 4.310 4.340 0.001 0.000 0.208 477 L C 2.608 179.452 176.870 -0.043 0.000 1.096 477 L CA 0.904 55.719 54.840 -0.041 0.000 0.779 477 L CB -0.375 41.641 42.059 -0.072 0.000 0.922 477 L HN 0.189 nan 8.230 nan 0.000 0.443 478 Q N -0.148 119.629 119.800 -0.038 0.000 2.234 478 Q HA -0.198 4.143 4.340 0.001 0.000 0.206 478 Q C 1.952 177.938 176.000 -0.024 0.000 0.980 478 Q CA 1.123 56.902 55.803 -0.039 0.000 0.869 478 Q CB 0.091 28.808 28.738 -0.036 0.000 0.912 478 Q HN 0.522 nan 8.270 nan 0.000 0.436 479 E N 0.537 120.733 120.200 -0.007 0.000 2.016 479 E HA -0.133 4.217 4.350 0.001 0.000 0.190 479 E C 1.358 177.967 176.600 0.014 0.000 0.985 479 E CA 0.666 57.072 56.400 0.010 0.000 0.802 479 E CB -0.180 29.535 29.700 0.026 0.000 0.762 479 E HN 0.106 nan 8.360 nan 0.000 0.448 480 R N 0.121 120.632 120.500 0.019 0.000 2.849 480 R HA 0.065 4.406 4.340 0.001 0.000 0.238 480 R C 0.993 177.292 176.300 -0.001 0.000 1.403 480 R CA 0.203 56.321 56.100 0.030 0.000 1.303 480 R CB -0.193 30.143 30.300 0.059 0.000 1.191 480 R HN 0.029 nan 8.270 nan 0.000 0.533 481 M N -1.633 117.960 119.600 -0.012 0.000 2.622 481 M HA 0.333 4.814 4.480 0.001 0.000 0.456 481 M C -0.937 175.351 176.300 -0.021 0.000 1.168 481 M CA -0.060 55.223 55.300 -0.028 0.000 0.930 481 M CB 1.118 33.677 32.600 -0.068 0.000 1.919 481 M HN 0.086 nan 8.290 nan 0.000 0.640 482 A N 0.569 123.382 122.820 -0.011 0.000 2.322 482 A HA 0.557 4.878 4.320 0.001 0.000 0.269 482 A C -0.529 177.060 177.584 0.008 0.000 1.094 482 A CA -0.294 51.737 52.037 -0.010 0.000 0.807 482 A CB 0.247 19.235 19.000 -0.020 0.000 1.047 482 A HN 0.364 nan 8.150 nan 0.000 0.487 483 D N 0.508 120.921 120.400 0.022 0.000 2.341 483 D HA 0.284 4.925 4.640 0.001 0.000 0.245 483 D C -0.125 176.189 176.300 0.024 0.000 1.106 483 D CA 0.415 54.447 54.000 0.053 0.000 0.905 483 D CB 0.908 41.781 40.800 0.122 0.000 1.202 483 D HN 0.446 nan 8.370 nan 0.000 0.426 484 K N 2.909 123.319 120.400 0.017 0.000 2.414 484 K HA 0.287 4.607 4.320 0.001 0.000 0.251 484 K C -0.542 175.980 176.600 -0.129 0.000 1.037 484 K CA -0.504 55.735 56.287 -0.081 0.000 0.980 484 K CB 0.277 32.727 32.500 -0.083 0.000 1.280 484 K HN 0.440 nan 8.250 nan 0.000 0.451 485 M N 1.780 121.301 119.600 -0.132 0.000 2.423 485 M HA 0.384 4.865 4.480 0.001 0.000 0.335 485 M C -1.202 174.984 176.300 -0.191 0.000 1.177 485 M CA -0.820 54.440 55.300 -0.066 0.000 1.038 485 M CB 0.924 33.519 32.600 -0.008 0.000 1.641 485 M HN 0.200 nan 8.290 nan 0.000 0.455 486 Y N 1.167 121.481 120.300 0.023 0.000 2.334 486 Y HA 0.537 5.088 4.550 0.001 0.000 0.336 486 Y C -0.266 175.664 175.900 0.050 0.000 0.960 486 Y CA -1.014 57.109 58.100 0.038 0.000 1.164 486 Y CB 1.202 39.670 38.460 0.013 0.000 1.155 486 Y HN 0.450 nan 8.280 nan 0.000 0.478 487 V N 2.442 122.514 119.914 0.262 0.000 2.607 487 V HA 0.107 4.228 4.120 0.001 0.000 0.289 487 V C 0.423 176.718 176.094 0.336 0.000 1.053 487 V CA -0.984 61.493 62.300 0.296 0.000 0.996 487 V CB 1.341 33.414 31.823 0.416 0.000 0.995 487 V HN 0.696 nan 8.190 nan 0.000 0.476 488 N N 4.215 123.051 118.700 0.227 0.000 3.103 488 N HA 0.262 5.003 4.740 0.001 0.000 0.305 488 N C -0.831 174.789 175.510 0.183 0.000 1.232 488 N CA -0.071 53.074 53.050 0.159 0.000 1.190 488 N CB -0.675 37.873 38.487 0.101 0.000 1.461 488 N HN 0.577 nan 8.380 nan 0.000 0.538 489 F N -1.686 118.175 119.950 -0.148 0.000 2.877 489 F HA 0.549 5.077 4.527 0.001 0.000 0.319 489 F C -1.093 174.576 175.800 -0.218 0.000 1.174 489 F CA -1.581 56.276 58.000 -0.238 0.000 0.903 489 F CB 0.658 39.454 39.000 -0.341 0.000 1.357 489 F HN -0.108 nan 8.300 nan 0.000 0.472 490 S N 1.740 117.127 115.700 -0.523 0.000 2.640 490 S HA 0.433 4.904 4.470 0.001 0.000 0.320 490 S C 0.408 174.678 174.600 -0.550 0.000 1.097 490 S CA -0.567 57.285 58.200 -0.581 0.000 1.092 490 S CB 0.902 63.971 63.200 -0.219 0.000 0.988 490 S HN 0.925 nan 8.310 nan 0.000 0.470 491 L N 5.656 126.395 121.223 -0.807 0.000 2.079 491 L HA 0.078 4.419 4.340 0.001 0.000 0.210 491 L C 1.213 177.797 176.870 -0.476 0.000 1.081 491 L CA 2.120 56.605 54.840 -0.591 0.000 0.752 491 L CB -0.711 40.914 42.059 -0.724 0.000 0.896 491 L HN 0.803 nan 8.230 nan 0.000 0.433 492 F N -1.336 118.441 119.950 -0.287 0.000 2.661 492 F HA -0.016 4.511 4.527 0.001 0.000 0.298 492 F C 2.465 178.193 175.800 -0.119 0.000 1.137 492 F CA 0.854 58.717 58.000 -0.229 0.000 1.454 492 F CB -0.448 38.357 39.000 -0.325 0.000 1.103 492 F HN 0.251 nan 8.300 nan 0.000 0.577 493 Q N -0.283 119.552 119.800 0.058 0.000 2.390 493 Q HA 0.055 4.396 4.340 0.001 0.000 0.216 493 Q C 1.862 177.877 176.000 0.025 0.000 0.916 493 Q CA 1.313 57.154 55.803 0.064 0.000 0.911 493 Q CB 0.011 28.814 28.738 0.108 0.000 1.035 493 Q HN 0.110 nan 8.270 nan 0.000 0.541 494 S N -0.525 115.160 115.700 -0.026 0.000 2.475 494 S HA 0.262 4.733 4.470 0.001 0.000 0.224 494 S C 0.590 175.096 174.600 -0.157 0.000 1.042 494 S CA 0.380 58.529 58.200 -0.085 0.000 0.935 494 S CB 0.403 63.541 63.200 -0.104 0.000 0.801 494 S HN 0.344 nan 8.310 nan 0.000 0.509 495 M N 1.638 121.147 119.600 -0.151 0.000 3.287 495 M HA 0.235 4.716 4.480 0.001 0.000 0.336 495 M C -2.268 174.036 176.300 0.006 0.000 1.573 495 M CA -1.533 53.668 55.300 -0.164 0.000 0.609 495 M CB 1.712 34.128 32.600 -0.307 0.000 1.421 495 M HN -0.043 nan 8.290 nan 0.000 0.476 496 P HA -0.198 nan 4.420 nan 0.000 0.216 496 P C 0.609 178.042 177.300 0.222 0.000 1.150 496 P CA 1.556 64.749 63.100 0.154 0.000 0.843 496 P CB 0.255 32.064 31.700 0.181 0.000 0.787 497 D N 0.017 120.543 120.400 0.210 0.000 2.311 497 D HA -0.078 4.563 4.640 0.001 0.000 0.212 497 D C 1.952 178.327 176.300 0.125 0.000 0.972 497 D CA 1.106 55.207 54.000 0.168 0.000 0.887 497 D CB -0.595 40.322 40.800 0.195 0.000 0.915 497 D HN 0.153 nan 8.370 nan 0.000 0.497 498 A N -1.214 121.733 122.820 0.211 0.000 2.206 498 A HA -0.027 4.294 4.320 0.001 0.000 0.211 498 A C 1.775 179.405 177.584 0.076 0.000 1.158 498 A CA 0.385 52.495 52.037 0.122 0.000 0.761 498 A CB -0.533 18.592 19.000 0.208 0.000 0.801 498 A HN 0.407 nan 8.150 nan 0.000 0.473 499 W N -0.367 120.870 121.300 -0.104 0.000 2.780 499 W HA 0.239 4.899 4.660 0.001 0.000 0.272 499 W C 2.000 178.494 176.519 -0.043 0.000 1.116 499 W CA 0.955 58.235 57.345 -0.109 0.000 1.600 499 W CB -0.480 28.905 29.460 -0.125 0.000 1.086 499 W HN 0.150 nan 8.180 nan 0.000 0.584 500 G N 1.176 109.865 108.800 -0.185 0.000 2.443 500 G HA2 0.019 3.980 3.960 0.001 0.000 0.219 500 G HA3 0.019 3.980 3.960 0.001 0.000 0.219 500 G C 0.365 175.097 174.900 -0.279 0.000 1.131 500 G CA 0.927 45.784 45.100 -0.405 0.000 0.775 500 G HN 0.174 nan 8.290 nan 0.000 0.547 501 I N -0.973 119.492 120.570 -0.176 0.000 2.865 501 I HA 0.261 4.432 4.170 0.001 0.000 0.302 501 I C -1.371 174.657 176.117 -0.147 0.000 1.140 501 I CA -1.042 60.160 61.300 -0.162 0.000 1.021 501 I CB 2.481 40.386 38.000 -0.157 0.000 1.233 501 I HN -0.334 nan 8.210 nan 0.000 0.427 502 D N 3.528 123.845 120.400 -0.139 0.000 2.767 502 D HA 0.039 4.680 4.640 0.001 0.000 0.231 502 D C -0.024 176.161 176.300 -0.192 0.000 1.105 502 D CA 0.199 54.124 54.000 -0.125 0.000 1.024 502 D CB -0.041 40.726 40.800 -0.054 0.000 1.123 502 D HN 0.220 nan 8.370 nan 0.000 0.470 503 Q N 1.451 121.094 119.800 -0.263 0.000 2.281 503 Q HA 0.076 4.417 4.340 0.001 0.000 0.267 503 Q C -0.321 175.284 176.000 -0.659 0.000 1.053 503 Q CA -0.230 55.255 55.803 -0.531 0.000 0.905 503 Q CB 0.877 29.254 28.738 -0.601 0.000 1.195 503 Q HN 0.294 nan 8.270 nan 0.000 0.398 504 L N 5.324 126.154 121.223 -0.656 0.000 2.290 504 L HA 0.383 4.724 4.340 0.001 0.000 0.284 504 L C -0.814 175.673 176.870 -0.638 0.000 1.078 504 L CA 0.151 54.716 54.840 -0.458 0.000 0.815 504 L CB -0.031 41.878 42.059 -0.251 0.000 1.162 504 L HN 0.543 nan 8.230 nan 0.000 0.435 505 F N 5.533 125.423 119.950 -0.099 0.000 2.518 505 F HA 0.403 4.931 4.527 0.001 0.000 0.323 505 F C -1.759 173.969 175.800 -0.119 0.000 1.129 505 F CA -1.882 56.080 58.000 -0.064 0.000 0.920 505 F CB 1.946 40.949 39.000 0.005 0.000 1.160 505 F HN 0.408 nan 8.300 nan 0.000 0.440 506 P HA 0.092 nan 4.420 nan 0.000 0.270 506 P C -0.880 176.361 177.300 -0.099 0.000 1.242 506 P CA 0.118 63.048 63.100 -0.284 0.000 0.768 506 P CB 1.108 32.165 31.700 -1.072 0.000 0.820 507 V N 5.799 125.652 119.914 -0.102 0.000 2.448 507 V HA 0.544 4.665 4.120 0.001 0.000 0.295 507 V C 0.486 176.393 176.094 -0.312 0.000 1.025 507 V CA -0.513 61.622 62.300 -0.275 0.000 0.859 507 V CB 1.176 32.843 31.823 -0.260 0.000 0.988 507 V HN 0.479 nan 8.190 nan 0.000 0.431 508 L N 3.325 124.336 121.223 -0.355 0.000 2.568 508 L HA 0.828 5.168 4.340 0.001 0.000 0.257 508 L C -2.942 173.785 176.870 -0.237 0.000 1.024 508 L CA -2.011 52.577 54.840 -0.420 0.000 0.854 508 L CB 2.278 43.847 42.059 -0.815 0.000 1.460 508 L HN 0.333 nan 8.230 nan 0.000 0.409 509 P HA 0.190 nan 4.420 nan 0.000 0.274 509 P C 0.237 177.501 177.300 -0.061 0.000 1.231 509 P CA -0.276 62.758 63.100 -0.110 0.000 0.790 509 P CB 1.262 32.929 31.700 -0.055 0.000 0.951 510 L N 0.366 121.541 121.223 -0.079 0.000 2.610 510 L HA 0.059 4.400 4.340 0.001 0.000 0.232 510 L C 1.272 178.108 176.870 -0.057 0.000 1.149 510 L CA 0.786 55.595 54.840 -0.053 0.000 0.872 510 L CB -0.593 41.403 42.059 -0.105 0.000 0.992 510 L HN 0.565 nan 8.230 nan 0.000 0.447 511 E N -2.231 117.949 120.200 -0.034 0.000 2.437 511 E HA 0.441 4.792 4.350 0.001 0.000 0.280 511 E C 0.165 176.823 176.600 0.097 0.000 1.044 511 E CA -0.465 55.955 56.400 0.032 0.000 0.826 511 E CB 1.329 30.946 29.700 -0.138 0.000 1.358 511 E HN -0.086 nan 8.360 nan 0.000 0.459 512 G N 0.515 109.411 108.800 0.160 0.000 2.160 512 G HA2 -0.285 3.676 3.960 0.001 0.000 0.251 512 G HA3 -0.285 3.676 3.960 0.001 0.000 0.251 512 G C 0.532 175.503 174.900 0.118 0.000 1.008 512 G CA 0.635 45.811 45.100 0.127 0.000 0.724 512 G HN 0.404 nan 8.290 nan 0.000 0.514 513 L N 0.265 121.562 121.223 0.124 0.000 2.552 513 L HA 0.134 4.475 4.340 0.001 0.000 0.227 513 L C 2.449 179.375 176.870 0.094 0.000 1.146 513 L CA 1.369 56.289 54.840 0.134 0.000 0.858 513 L CB -0.191 41.947 42.059 0.132 0.000 0.969 513 L HN 0.482 nan 8.230 nan 0.000 0.451 514 D N -0.622 119.820 120.400 0.070 0.000 2.194 514 D HA -0.136 4.504 4.640 0.001 0.000 0.204 514 D C 1.118 177.437 176.300 0.032 0.000 0.964 514 D CA 0.177 54.201 54.000 0.040 0.000 0.846 514 D CB -0.063 40.751 40.800 0.024 0.000 0.962 514 D HN 0.476 nan 8.370 nan 0.000 0.490 515 Q N 0.202 120.027 119.800 0.041 0.000 2.308 515 Q HA 0.369 4.710 4.340 0.001 0.000 0.207 515 Q C -0.306 175.707 176.000 0.022 0.000 1.035 515 Q CA -1.145 54.675 55.803 0.029 0.000 1.008 515 Q CB 1.193 29.952 28.738 0.036 0.000 1.168 515 Q HN 0.057 nan 8.270 nan 0.000 0.565 516 V N 1.675 121.594 119.914 0.008 0.000 2.509 516 V HA 0.315 4.436 4.120 0.001 0.000 0.284 516 V C -2.230 173.859 176.094 -0.008 0.000 1.047 516 V CA -2.519 59.776 62.300 -0.008 0.000 0.952 516 V CB 1.276 33.090 31.823 -0.015 0.000 0.988 516 V HN 0.771 nan 8.190 nan 0.000 0.469 517 P HA 0.049 nan 4.420 nan 0.000 0.258 517 P C -0.272 177.015 177.300 -0.021 0.000 1.172 517 P CA 0.420 63.506 63.100 -0.023 0.000 0.762 517 P CB 0.577 32.241 31.700 -0.061 0.000 0.764 518 E N 2.379 122.573 120.200 -0.009 0.000 2.481 518 E HA 0.119 4.470 4.350 0.001 0.000 0.198 518 E C 0.853 177.430 176.600 -0.039 0.000 1.027 518 E CA 0.169 56.553 56.400 -0.026 0.000 0.900 518 E CB 0.827 30.513 29.700 -0.024 0.000 0.993 518 E HN 0.518 nan 8.360 nan 0.000 0.482 519 R N -0.147 120.338 120.500 -0.025 0.000 2.753 519 R HA 0.214 4.554 4.340 0.001 0.000 0.272 519 R C -1.096 175.196 176.300 -0.014 0.000 1.034 519 R CA -0.625 55.457 56.100 -0.031 0.000 0.869 519 R CB 1.141 31.416 30.300 -0.043 0.000 1.264 519 R HN -0.158 nan 8.270 nan 0.000 0.481 520 R N 0.865 121.349 120.500 -0.028 0.000 2.700 520 R HA 0.866 5.207 4.340 0.001 0.000 0.253 520 R C -0.902 175.378 176.300 -0.033 0.000 1.091 520 R CA -0.633 55.441 56.100 -0.043 0.000 1.104 520 R CB 1.683 31.951 30.300 -0.054 0.000 1.202 520 R HN 0.689 nan 8.270 nan 0.000 0.532 521 A N -0.045 122.723 122.820 -0.086 0.000 2.594 521 A HA 0.384 4.704 4.320 0.001 0.000 0.296 521 A C -1.589 175.884 177.584 -0.185 0.000 1.056 521 A CA -0.632 51.357 52.037 -0.080 0.000 0.693 521 A CB 1.570 20.564 19.000 -0.010 0.000 1.278 521 A HN 0.390 nan 8.150 nan 0.000 0.408 522 V N 2.970 122.819 119.914 -0.108 0.000 2.435 522 V HA 0.789 4.910 4.120 0.001 0.000 0.290 522 V C -0.965 175.116 176.094 -0.022 0.000 1.030 522 V CA -0.562 61.704 62.300 -0.057 0.000 0.881 522 V CB 1.075 32.910 31.823 0.020 0.000 0.983 522 V HN 1.435 nan 8.190 nan 0.000 0.445 523 L N 7.409 128.694 121.223 0.103 0.000 2.341 523 L HA 0.824 5.165 4.340 0.001 0.000 0.278 523 L C -0.948 175.995 176.870 0.122 0.000 1.005 523 L CA -0.479 54.411 54.840 0.083 0.000 0.818 523 L CB 1.863 44.000 42.059 0.129 0.000 1.259 523 L HN 0.553 nan 8.230 nan 0.000 0.418 524 L N 0.469 121.694 121.223 0.002 0.000 2.370 524 L HA 0.688 5.029 4.340 0.001 0.000 0.266 524 L C -0.602 176.292 176.870 0.040 0.000 1.002 524 L CA -0.705 54.137 54.840 0.003 0.000 0.818 524 L CB 1.340 43.350 42.059 -0.081 0.000 1.325 524 L HN 0.826 nan 8.230 nan 0.000 0.418 525 D N 1.316 121.653 120.400 -0.104 0.000 2.384 525 D HA 0.175 4.816 4.640 0.001 0.000 0.244 525 D C 0.836 177.051 176.300 -0.143 0.000 1.251 525 D CA -0.414 53.386 54.000 -0.333 0.000 0.961 525 D CB 1.001 41.211 40.800 -0.983 0.000 1.116 525 D HN 0.552 nan 8.370 nan 0.000 0.484 526 I N -3.081 117.362 120.570 -0.211 0.000 3.764 526 I HA 0.205 4.376 4.170 0.001 0.000 0.312 526 I C 0.124 176.161 176.117 -0.133 0.000 1.340 526 I CA -0.630 60.599 61.300 -0.117 0.000 1.195 526 I CB -1.201 36.726 38.000 -0.121 0.000 1.068 526 I HN 0.025 nan 8.210 nan 0.000 0.421 527 T N 0.821 115.286 114.554 -0.149 0.000 2.889 527 T HA 0.124 4.475 4.350 0.001 0.000 0.291 527 T C 1.328 176.019 174.700 -0.015 0.000 0.995 527 T CA -0.090 61.962 62.100 -0.079 0.000 1.092 527 T CB 1.181 69.930 68.868 -0.198 0.000 0.954 527 T HN 0.602 nan 8.240 nan 0.000 0.506 528 C N 0.946 120.263 119.300 0.028 0.000 2.491 528 C HA 0.125 4.586 4.460 0.001 0.000 0.277 528 C C 0.830 175.831 174.990 0.019 0.000 1.455 528 C CA -0.672 58.364 59.018 0.030 0.000 1.758 528 C CB -1.524 26.235 27.740 0.032 0.000 1.745 528 C HN 0.829 nan 8.230 nan 0.000 0.558 529 D N 1.226 121.614 120.400 -0.019 0.000 2.280 529 D HA 0.281 4.922 4.640 0.001 0.000 0.243 529 D C 1.336 177.647 176.300 0.018 0.000 1.129 529 D CA 0.379 54.375 54.000 -0.007 0.000 0.848 529 D CB 1.358 42.113 40.800 -0.075 0.000 1.107 529 D HN 0.422 nan 8.370 nan 0.000 0.471 530 S N 2.401 118.127 115.700 0.043 0.000 2.493 530 S HA -0.209 4.262 4.470 0.001 0.000 0.243 530 S C 1.327 175.961 174.600 0.057 0.000 0.991 530 S CA 0.544 58.774 58.200 0.049 0.000 0.957 530 S CB -0.051 63.179 63.200 0.050 0.000 0.756 530 S HN 0.530 nan 8.310 nan 0.000 0.521 531 D N 2.061 122.517 120.400 0.094 0.000 2.349 531 D HA 0.161 4.801 4.640 0.001 0.000 0.224 531 D C 0.722 177.081 176.300 0.099 0.000 1.029 531 D CA 0.159 54.244 54.000 0.142 0.000 0.879 531 D CB -0.377 40.581 40.800 0.264 0.000 0.906 531 D HN 0.515 nan 8.370 nan 0.000 0.528 532 G N 0.124 108.952 108.800 0.048 0.000 2.922 532 G HA2 0.591 4.552 3.960 0.001 0.000 0.335 532 G HA3 0.591 4.552 3.960 0.001 0.000 0.335 532 G C -0.372 174.454 174.900 -0.124 0.000 1.016 532 G CA 0.165 45.209 45.100 -0.093 0.000 1.306 532 G HN 0.234 nan 8.290 nan 0.000 0.465 533 A N 2.065 124.815 122.820 -0.116 0.000 2.540 533 A HA 0.688 5.009 4.320 0.001 0.000 0.291 533 A C -1.398 176.165 177.584 -0.035 0.000 1.083 533 A CA -0.674 51.341 52.037 -0.036 0.000 0.650 533 A CB 0.866 19.860 19.000 -0.010 0.000 1.292 533 A HN 0.333 nan 8.150 nan 0.000 0.435 534 I N 1.770 122.351 120.570 0.019 0.000 2.315 534 I HA 0.247 4.418 4.170 0.001 0.000 0.291 534 I C 0.527 176.474 176.117 -0.283 0.000 1.006 534 I CA 0.034 61.252 61.300 -0.137 0.000 1.265 534 I CB 0.948 38.855 38.000 -0.155 0.000 1.387 534 I HN 0.817 nan 8.210 nan 0.000 0.475 535 D N 4.193 124.361 120.400 -0.387 0.000 2.110 535 D HA -0.046 4.594 4.640 0.001 0.000 0.202 535 D C 0.410 176.374 176.300 -0.560 0.000 0.975 535 D CA 1.664 55.374 54.000 -0.484 0.000 0.839 535 D CB 0.415 40.802 40.800 -0.688 0.000 0.996 535 D HN 0.445 nan 8.370 nan 0.000 0.464 536 H N -1.283 117.572 119.070 -0.358 0.000 2.621 536 H HA 0.375 4.932 4.556 0.001 0.000 0.360 536 H C -0.737 174.268 175.328 -0.538 0.000 1.163 536 H CA -0.451 55.426 56.048 -0.285 0.000 1.194 536 H CB 0.784 30.463 29.762 -0.138 0.000 1.649 536 H HN -0.008 nan 8.280 nan 0.000 0.532 537 Y N -0.123 120.272 120.300 0.159 0.000 2.576 537 Y HA 0.281 4.832 4.550 0.001 0.000 0.346 537 Y C 0.401 176.365 175.900 0.106 0.000 1.018 537 Y CA -1.163 57.008 58.100 0.118 0.000 1.050 537 Y CB 1.499 40.031 38.460 0.120 0.000 1.280 537 Y HN 0.332 nan 8.280 nan 0.000 0.474 538 I N 2.075 122.817 120.570 0.286 0.000 2.556 538 I HA 0.069 4.240 4.170 0.001 0.000 0.284 538 I C -0.229 176.016 176.117 0.215 0.000 1.114 538 I CA 0.418 61.849 61.300 0.218 0.000 1.418 538 I CB 0.565 38.713 38.000 0.247 0.000 1.394 538 I HN 0.680 nan 8.210 nan 0.000 0.552 539 D N 4.660 125.122 120.400 0.103 0.000 2.846 539 D HA 0.356 4.997 4.640 0.001 0.000 0.279 539 D C 0.756 177.047 176.300 -0.016 0.000 1.222 539 D CA 0.544 54.556 54.000 0.020 0.000 0.769 539 D CB 0.663 41.472 40.800 0.015 0.000 1.299 539 D HN 0.838 nan 8.370 nan 0.000 0.537 540 G N 2.175 110.968 108.800 -0.011 0.000 2.698 540 G HA2 -0.462 3.499 3.960 0.001 0.000 0.337 540 G HA3 -0.462 3.499 3.960 0.001 0.000 0.337 540 G C 1.143 175.988 174.900 -0.091 0.000 1.196 540 G CA 0.787 45.851 45.100 -0.060 0.000 0.965 540 G HN 0.451 nan 8.290 nan 0.000 0.550 541 D N 1.579 121.924 120.400 -0.092 0.000 2.177 541 D HA 0.002 4.643 4.640 0.001 0.000 0.189 541 D C 1.544 177.798 176.300 -0.076 0.000 1.002 541 D CA 2.206 56.150 54.000 -0.092 0.000 0.845 541 D CB -0.526 40.231 40.800 -0.071 0.000 0.960 541 D HN 0.813 nan 8.370 nan 0.000 0.447 542 G N -0.567 108.201 108.800 -0.054 0.000 3.086 542 G HA2 0.555 4.516 3.960 0.001 0.000 0.282 542 G HA3 0.555 4.516 3.960 0.001 0.000 0.282 542 G C -0.704 174.180 174.900 -0.026 0.000 1.343 542 G CA -0.642 44.429 45.100 -0.049 0.000 0.895 542 G HN 0.209 nan 8.290 nan 0.000 0.557 543 I N -1.552 118.994 120.570 -0.040 0.000 2.385 543 I HA 0.793 4.964 4.170 0.001 0.000 0.294 543 I C 0.161 176.287 176.117 0.014 0.000 0.988 543 I CA -0.884 60.411 61.300 -0.008 0.000 1.265 543 I CB 1.736 39.694 38.000 -0.069 0.000 1.388 543 I HN 0.548 nan 8.210 nan 0.000 0.480 544 A N 3.798 126.683 122.820 0.108 0.000 2.311 544 A HA 0.584 4.905 4.320 0.001 0.000 0.334 544 A C 0.927 178.673 177.584 0.270 0.000 1.139 544 A CA -0.158 51.959 52.037 0.134 0.000 0.830 544 A CB 1.135 20.197 19.000 0.103 0.000 1.234 544 A HN 0.879 nan 8.150 nan 0.000 0.483 545 T N -1.902 112.793 114.554 0.236 0.000 3.085 545 T HA 0.147 4.498 4.350 0.001 0.000 0.263 545 T C 0.748 175.655 174.700 0.345 0.000 1.127 545 T CA 1.244 63.524 62.100 0.301 0.000 1.103 545 T CB -0.311 68.671 68.868 0.191 0.000 0.921 545 T HN 0.821 nan 8.240 nan 0.000 0.510 546 T N 0.804 115.478 114.554 0.200 0.000 2.916 546 T HA 0.628 4.979 4.350 0.001 0.000 0.292 546 T C -1.160 173.367 174.700 -0.289 0.000 1.055 546 T CA -1.130 60.936 62.100 -0.056 0.000 1.009 546 T CB 1.673 70.515 68.868 -0.044 0.000 1.118 546 T HN 0.335 nan 8.240 nan 0.000 0.497 547 M N 5.217 124.421 119.600 -0.660 0.000 2.268 547 M HA 0.532 5.013 4.480 0.001 0.000 0.344 547 M C -2.494 173.694 176.300 -0.187 0.000 1.106 547 M CA -2.290 52.698 55.300 -0.520 0.000 1.010 547 M CB 2.110 34.195 32.600 -0.858 0.000 1.649 547 M HN 0.336 nan 8.290 nan 0.000 0.443 548 P HA 0.211 nan 4.420 nan 0.000 0.282 548 P C -1.403 175.920 177.300 0.039 0.000 1.262 548 P CA -0.138 62.930 63.100 -0.054 0.000 0.773 548 P CB 0.833 32.447 31.700 -0.143 0.000 0.879 549 M N 4.772 124.407 119.600 0.059 0.000 2.535 549 M HA 0.458 4.938 4.480 0.001 0.000 0.314 549 M C -2.548 173.840 176.300 0.147 0.000 1.153 549 M CA -2.577 52.804 55.300 0.136 0.000 0.924 549 M CB 2.221 34.941 32.600 0.200 0.000 1.710 549 M HN 0.048 nan 8.290 nan 0.000 0.451 550 P HA 0.101 nan 4.420 nan 0.000 0.274 550 P C -0.695 176.712 177.300 0.178 0.000 1.246 550 P CA -0.344 62.843 63.100 0.145 0.000 0.795 550 P CB 0.464 32.249 31.700 0.142 0.000 1.006 551 E N 1.635 121.887 120.200 0.087 0.000 2.341 551 E HA 0.039 4.390 4.350 0.001 0.000 0.256 551 E C -1.066 175.585 176.600 0.086 0.000 1.125 551 E CA 0.449 56.861 56.400 0.020 0.000 0.939 551 E CB -0.892 28.809 29.700 0.002 0.000 0.991 551 E HN 0.273 nan 8.360 nan 0.000 0.458 552 Y N 1.300 121.619 120.300 0.032 0.000 2.598 552 Y HA 0.555 5.106 4.550 0.001 0.000 0.340 552 Y C -0.452 175.474 175.900 0.044 0.000 1.038 552 Y CA -1.927 56.195 58.100 0.037 0.000 1.100 552 Y CB 0.863 39.345 38.460 0.037 0.000 1.281 552 Y HN 0.224 nan 8.280 nan 0.000 0.488 553 D N 3.580 124.135 120.400 0.259 0.000 2.325 553 D HA 0.227 4.868 4.640 0.001 0.000 0.251 553 D C -1.688 174.796 176.300 0.306 0.000 1.196 553 D CA -2.781 51.317 54.000 0.163 0.000 0.866 553 D CB 1.410 42.288 40.800 0.131 0.000 1.101 553 D HN 0.437 nan 8.370 nan 0.000 0.476 554 P HA -0.157 nan 4.420 nan 0.000 0.222 554 P C 0.940 178.412 177.300 0.287 0.000 1.147 554 P CA 0.671 63.955 63.100 0.307 0.000 0.790 554 P CB 0.452 32.240 31.700 0.146 0.000 0.780 555 E N 0.582 120.876 120.200 0.157 0.000 2.216 555 E HA -0.079 4.272 4.350 0.001 0.000 0.192 555 E C 0.498 177.102 176.600 0.007 0.000 0.988 555 E CA 0.503 56.919 56.400 0.027 0.000 0.834 555 E CB -0.089 29.611 29.700 0.000 0.000 0.772 555 E HN 0.255 nan 8.360 nan 0.000 0.479 556 N N 0.915 119.701 118.700 0.143 0.000 2.726 556 N HA 0.181 4.922 4.740 0.001 0.000 0.253 556 N C -2.700 172.918 175.510 0.179 0.000 1.530 556 N CA -1.285 51.851 53.050 0.144 0.000 0.772 556 N CB 1.131 39.666 38.487 0.079 0.000 1.220 556 N HN -0.061 nan 8.380 nan 0.000 0.508 557 P HA 0.234 nan 4.420 nan 0.000 0.271 557 P C -2.655 174.624 177.300 -0.035 0.000 1.244 557 P CA -0.557 62.558 63.100 0.026 0.000 0.793 557 P CB 0.583 32.227 31.700 -0.094 0.000 0.984 558 P HA 0.364 nan 4.420 nan 0.000 0.306 558 P C -0.371 176.855 177.300 -0.124 0.000 1.309 558 P CA -0.449 62.584 63.100 -0.110 0.000 0.759 558 P CB 0.607 32.235 31.700 -0.119 0.000 1.314 559 M N -0.644 118.883 119.600 -0.121 0.000 2.359 559 M HA 0.354 4.835 4.480 0.001 0.000 0.322 559 M C -0.436 175.765 176.300 -0.166 0.000 1.166 559 M CA -0.653 54.573 55.300 -0.123 0.000 1.067 559 M CB 0.435 32.966 32.600 -0.115 0.000 1.523 559 M HN 0.124 nan 8.290 nan 0.000 0.467 560 L N 0.984 122.094 121.223 -0.189 0.000 2.346 560 L HA 0.835 5.176 4.340 0.001 0.000 0.274 560 L C -0.187 176.454 176.870 -0.381 0.000 1.007 560 L CA -0.095 54.560 54.840 -0.307 0.000 0.818 560 L CB 1.980 43.829 42.059 -0.349 0.000 1.284 560 L HN 0.726 nan 8.230 nan 0.000 0.424 561 G N 2.301 110.790 108.800 -0.517 0.000 2.530 561 G HA2 0.590 4.550 3.960 0.001 0.000 0.316 561 G HA3 0.590 4.550 3.960 0.001 0.000 0.316 561 G C -1.558 172.789 174.900 -0.922 0.000 1.298 561 G CA -0.239 44.470 45.100 -0.650 0.000 0.948 561 G HN 0.260 nan 8.290 nan 0.000 0.486 562 F N 1.752 121.276 119.950 -0.709 0.000 2.402 562 F HA 0.561 5.089 4.527 0.002 0.000 0.355 562 F C -0.165 175.244 175.800 -0.652 0.000 1.123 562 F CA -0.646 57.036 58.000 -0.530 0.000 1.021 562 F CB 1.500 40.206 39.000 -0.488 0.000 1.160 562 F HN 0.268 nan 8.300 nan 0.000 0.451 563 F N 2.521 122.395 119.950 -0.126 0.000 2.518 563 F HA 0.449 4.977 4.527 0.001 0.000 0.338 563 F C 0.735 176.525 175.800 -0.017 0.000 1.065 563 F CA -1.107 56.800 58.000 -0.155 0.000 1.012 563 F CB 0.640 39.470 39.000 -0.283 0.000 1.297 563 F HN 0.267 nan 8.300 nan 0.000 0.489 564 M N -0.582 119.180 119.600 0.270 0.000 2.856 564 M HA -0.162 4.319 4.480 0.001 0.000 0.189 564 M C -0.011 176.537 176.300 0.414 0.000 0.612 564 M CA 0.320 55.804 55.300 0.307 0.000 0.673 564 M CB -2.555 30.230 32.600 0.308 0.000 2.440 564 M HN 0.383 nan 8.290 nan 0.000 0.437 565 V N 0.587 120.584 119.914 0.138 0.000 2.847 565 V HA 0.545 4.666 4.120 0.001 0.000 0.364 565 V C 1.414 177.512 176.094 0.006 0.000 1.374 565 V CA 1.036 63.289 62.300 -0.079 0.000 1.542 565 V CB -0.043 31.526 31.823 -0.424 0.000 1.471 565 V HN 0.552 nan 8.190 nan 0.000 0.557 566 G N 1.845 110.734 108.800 0.149 0.000 2.720 566 G HA2 0.451 4.412 3.960 0.001 0.000 0.204 566 G HA3 0.451 4.412 3.960 0.001 0.000 0.204 566 G C 0.613 175.625 174.900 0.187 0.000 1.113 566 G CA 0.586 45.778 45.100 0.154 0.000 0.805 566 G HN 0.815 nan 8.290 nan 0.000 0.536 567 A N -0.885 122.055 122.820 0.200 0.000 2.312 567 A HA 0.627 4.948 4.320 0.001 0.000 0.326 567 A C 0.104 177.778 177.584 0.150 0.000 1.172 567 A CA -0.597 51.477 52.037 0.063 0.000 0.821 567 A CB 0.284 19.273 19.000 -0.019 0.000 1.166 567 A HN 0.767 nan 8.150 nan 0.000 0.493 568 Y N -0.668 119.727 120.300 0.159 0.000 4.604 568 Y HA -0.279 4.272 4.550 0.001 0.000 0.230 568 Y C 1.356 177.330 175.900 0.124 0.000 1.066 568 Y CA 1.482 59.660 58.100 0.131 0.000 1.990 568 Y CB -2.086 36.448 38.460 0.123 0.000 1.619 568 Y HN 0.794 nan 8.280 nan 0.000 0.649 569 Q N -0.628 119.293 119.800 0.201 0.000 2.596 569 Q HA 0.152 4.492 4.340 0.001 0.000 0.190 569 Q C 1.920 177.974 176.000 0.090 0.000 0.905 569 Q CA 1.174 57.051 55.803 0.123 0.000 0.846 569 Q CB -0.261 28.500 28.738 0.038 0.000 1.117 569 Q HN 0.470 nan 8.270 nan 0.000 0.630 570 E N 0.484 120.727 120.200 0.071 0.000 2.160 570 E HA -0.260 4.091 4.350 0.001 0.000 0.237 570 E C 0.766 177.430 176.600 0.106 0.000 1.069 570 E CA 1.629 58.077 56.400 0.081 0.000 0.950 570 E CB -0.418 29.352 29.700 0.116 0.000 0.832 570 E HN 0.328 nan 8.360 nan 0.000 0.496 571 I N 0.912 121.558 120.570 0.127 0.000 2.664 571 I HA 0.074 4.245 4.170 0.001 0.000 0.291 571 I C -0.108 176.079 176.117 0.116 0.000 1.120 571 I CA 0.280 61.650 61.300 0.117 0.000 1.503 571 I CB -0.197 37.873 38.000 0.117 0.000 1.506 571 I HN 0.131 nan 8.210 nan 0.000 0.621 572 L N 3.515 124.807 121.223 0.115 0.000 3.794 572 L HA 0.332 4.673 4.340 0.001 0.000 0.364 572 L C 0.639 177.582 176.870 0.120 0.000 1.297 572 L CA -0.403 54.513 54.840 0.127 0.000 1.130 572 L CB 0.488 42.644 42.059 0.162 0.000 1.442 572 L HN 0.422 nan 8.230 nan 0.000 0.616 573 G N 0.422 109.280 108.800 0.097 0.000 2.451 573 G HA2 0.476 4.437 3.960 0.001 0.000 0.303 573 G HA3 0.476 4.437 3.960 0.001 0.000 0.303 573 G C -0.668 174.271 174.900 0.065 0.000 1.166 573 G CA -0.326 44.827 45.100 0.088 0.000 0.884 573 G HN 0.334 nan 8.290 nan 0.000 0.514 574 N N -0.831 117.900 118.700 0.051 0.000 2.314 574 N HA 0.396 5.137 4.740 0.001 0.000 0.304 574 N C 0.270 175.753 175.510 -0.045 0.000 1.073 574 N CA -0.981 52.059 53.050 -0.017 0.000 0.822 574 N CB 1.651 40.114 38.487 -0.041 0.000 1.280 574 N HN 0.566 nan 8.380 nan 0.000 0.489 575 M N 0.090 119.615 119.600 -0.126 0.000 3.268 575 M HA 0.133 4.613 4.480 0.001 0.000 0.249 575 M C 0.270 176.472 176.300 -0.163 0.000 1.527 575 M CA -0.074 55.142 55.300 -0.139 0.000 1.645 575 M CB -0.670 31.779 32.600 -0.251 0.000 1.193 575 M HN 0.763 nan 8.290 nan 0.000 0.534 576 H N 4.080 123.027 119.070 -0.206 0.000 2.610 576 H HA -0.099 4.458 4.556 0.001 0.000 0.298 576 H C 0.371 175.538 175.328 -0.268 0.000 1.035 576 H CA 2.631 58.481 56.048 -0.330 0.000 1.123 576 H CB 0.215 29.674 29.762 -0.505 0.000 1.447 576 H HN 0.728 nan 8.280 nan 0.000 0.659 577 N N 0.752 119.504 118.700 0.087 0.000 2.623 577 N HA 0.143 4.883 4.740 0.001 0.000 0.263 577 N C -0.619 174.570 175.510 -0.535 0.000 1.218 577 N CA 0.263 53.202 53.050 -0.185 0.000 0.949 577 N CB 0.079 38.530 38.487 -0.060 0.000 1.270 577 N HN 0.380 nan 8.380 nan 0.000 0.507 578 L N -0.974 120.005 121.223 -0.405 0.000 3.898 578 L HA -0.251 4.090 4.340 0.001 0.000 0.407 578 L C -0.914 175.628 176.870 -0.546 0.000 1.207 578 L CA 0.383 54.959 54.840 -0.441 0.000 0.931 578 L CB -2.056 39.742 42.059 -0.435 0.000 2.014 578 L HN 0.316 nan 8.230 nan 0.000 0.858 579 F N 0.563 120.329 119.950 -0.306 0.000 2.404 579 F HA 0.516 5.044 4.527 0.001 0.000 0.358 579 F C 1.497 177.114 175.800 -0.305 0.000 1.120 579 F CA 0.235 57.966 58.000 -0.449 0.000 1.144 579 F CB 1.219 39.933 39.000 -0.478 0.000 1.133 579 F HN 0.034 nan 8.300 nan 0.000 0.495 580 G N 2.288 111.004 108.800 -0.140 0.000 2.535 580 G HA2 0.108 4.068 3.960 0.001 0.000 0.282 580 G HA3 0.108 4.068 3.960 0.001 0.000 0.282 580 G C -0.615 174.362 174.900 0.130 0.000 1.350 580 G CA -0.791 44.298 45.100 -0.017 0.000 1.039 580 G HN 0.455 nan 8.290 nan 0.000 0.509 581 D N 0.720 121.198 120.400 0.130 0.000 2.488 581 D HA 0.149 4.790 4.640 0.001 0.000 0.238 581 D C 1.139 177.581 176.300 0.237 0.000 1.138 581 D CA 0.634 54.731 54.000 0.161 0.000 0.873 581 D CB 0.753 41.629 40.800 0.128 0.000 1.183 581 D HN 0.386 nan 8.370 nan 0.000 0.458 582 T N -0.207 114.453 114.554 0.177 0.000 2.813 582 T HA 0.173 4.524 4.350 0.001 0.000 0.297 582 T C 0.473 175.263 174.700 0.151 0.000 1.036 582 T CA -0.811 61.374 62.100 0.142 0.000 1.044 582 T CB 1.405 70.238 68.868 -0.059 0.000 0.993 582 T HN 0.286 nan 8.240 nan 0.000 0.535 583 E N -0.203 120.084 120.200 0.144 0.000 2.373 583 E HA 0.504 4.855 4.350 0.001 0.000 0.263 583 E C -0.638 175.904 176.600 -0.096 0.000 1.073 583 E CA -0.679 55.727 56.400 0.010 0.000 0.894 583 E CB 0.649 30.285 29.700 -0.107 0.000 1.008 583 E HN 0.864 nan 8.360 nan 0.000 0.420 584 A N 2.383 125.135 122.820 -0.112 0.000 2.435 584 A HA 0.645 4.966 4.320 0.001 0.000 0.304 584 A C -1.125 176.321 177.584 -0.230 0.000 1.064 584 A CA -0.659 51.267 52.037 -0.186 0.000 0.727 584 A CB 1.431 20.369 19.000 -0.103 0.000 1.284 584 A HN 0.450 nan 8.150 nan 0.000 0.415 585 V N -1.096 118.607 119.914 -0.352 0.000 2.925 585 V HA 0.710 4.831 4.120 0.001 0.000 0.311 585 V C -1.592 174.331 176.094 -0.286 0.000 1.104 585 V CA -1.025 61.088 62.300 -0.312 0.000 0.954 585 V CB 2.180 33.739 31.823 -0.441 0.000 1.022 585 V HN 0.695 nan 8.190 nan 0.000 0.427 586 D N 2.572 122.884 120.400 -0.147 0.000 2.280 586 D HA 0.600 5.240 4.640 0.001 0.000 0.236 586 D C -0.376 175.849 176.300 -0.125 0.000 1.082 586 D CA -0.037 53.871 54.000 -0.153 0.000 0.834 586 D CB 2.063 42.910 40.800 0.078 0.000 1.100 586 D HN 0.548 nan 8.370 nan 0.000 0.486 587 V N 2.833 122.495 119.914 -0.419 0.000 2.483 587 V HA 0.485 4.606 4.120 0.001 0.000 0.295 587 V C -0.366 175.515 176.094 -0.355 0.000 1.035 587 V CA -0.707 61.438 62.300 -0.258 0.000 0.896 587 V CB 0.885 32.484 31.823 -0.373 0.000 0.986 587 V HN 0.301 nan 8.190 nan 0.000 0.447 588 F N 2.592 122.486 119.950 -0.094 0.000 2.546 588 F HA 0.774 5.301 4.527 0.001 0.000 0.320 588 F C -0.150 175.400 175.800 -0.417 0.000 1.076 588 F CA -0.955 56.906 58.000 -0.231 0.000 0.928 588 F CB 2.273 41.070 39.000 -0.338 0.000 1.189 588 F HN 0.162 nan 8.300 nan 0.000 0.465 589 V N 3.407 123.129 119.914 -0.320 0.000 2.482 589 V HA 0.424 4.545 4.120 0.001 0.000 0.295 589 V C -0.687 175.194 176.094 -0.354 0.000 1.026 589 V CA -1.049 61.065 62.300 -0.310 0.000 0.856 589 V CB 1.252 33.021 31.823 -0.090 0.000 1.001 589 V HN 0.546 nan 8.190 nan 0.000 0.424 590 F N 5.014 125.036 119.950 0.121 0.000 2.450 590 F HA 0.495 5.023 4.527 0.001 0.000 0.328 590 F C -0.925 174.910 175.800 0.058 0.000 1.068 590 F CA -2.168 55.887 58.000 0.091 0.000 1.007 590 F CB 1.452 40.499 39.000 0.077 0.000 1.251 590 F HN 0.307 nan 8.300 nan 0.000 0.492 591 P HA -0.166 nan 4.420 nan 0.000 0.226 591 P C 0.875 178.248 177.300 0.123 0.000 1.153 591 P CA 1.296 64.478 63.100 0.137 0.000 0.777 591 P CB 0.177 31.943 31.700 0.110 0.000 0.794 592 D N 0.363 120.865 120.400 0.172 0.000 2.123 592 D HA -0.132 4.509 4.640 0.001 0.000 0.196 592 D C 1.730 178.100 176.300 0.116 0.000 0.992 592 D CA 2.429 56.508 54.000 0.132 0.000 0.833 592 D CB -0.579 40.317 40.800 0.159 0.000 0.954 592 D HN 0.273 nan 8.370 nan 0.000 0.455 593 G N -1.039 107.844 108.800 0.139 0.000 2.284 593 G HA2 -0.196 3.765 3.960 0.001 0.000 0.201 593 G HA3 -0.196 3.765 3.960 0.001 0.000 0.201 593 G C 0.352 175.314 174.900 0.103 0.000 0.998 593 G CA 0.527 45.682 45.100 0.092 0.000 0.651 593 G HN 0.706 nan 8.290 nan 0.000 0.489 594 S N -0.373 115.427 115.700 0.167 0.000 2.593 594 S HA 0.678 5.149 4.470 0.001 0.000 0.269 594 S C -0.094 174.575 174.600 0.116 0.000 1.334 594 S CA -0.065 58.240 58.200 0.175 0.000 1.015 594 S CB 2.423 65.775 63.200 0.254 0.000 0.912 594 S HN 1.081 nan 8.310 nan 0.000 0.541 595 V N 1.998 121.962 119.914 0.082 0.000 2.482 595 V HA 0.400 4.521 4.120 0.001 0.000 0.295 595 V C -0.368 175.767 176.094 0.069 0.000 1.026 595 V CA -0.587 61.724 62.300 0.018 0.000 0.856 595 V CB 1.394 33.244 31.823 0.045 0.000 1.001 595 V HN 0.967 nan 8.190 nan 0.000 0.424 596 E N 3.291 123.527 120.200 0.060 0.000 2.191 596 E HA 0.634 4.985 4.350 0.001 0.000 0.278 596 E C -1.197 175.516 176.600 0.187 0.000 0.972 596 E CA -0.599 55.881 56.400 0.133 0.000 0.804 596 E CB 2.603 32.384 29.700 0.136 0.000 1.110 596 E HN 0.419 nan 8.360 nan 0.000 0.394 597 V N 3.709 123.707 119.914 0.139 0.000 2.454 597 V HA 0.085 4.205 4.120 0.001 0.000 0.267 597 V C -0.418 175.724 176.094 0.079 0.000 0.993 597 V CA -0.674 61.698 62.300 0.121 0.000 0.836 597 V CB 0.647 32.525 31.823 0.091 0.000 1.055 597 V HN 0.644 nan 8.190 nan 0.000 0.452 598 E N 3.838 124.102 120.200 0.108 0.000 2.283 598 E HA 0.567 4.918 4.350 0.001 0.000 0.271 598 E C -0.200 176.416 176.600 0.025 0.000 1.031 598 E CA -0.908 55.527 56.400 0.058 0.000 0.868 598 E CB 2.078 31.813 29.700 0.059 0.000 1.094 598 E HN 0.364 nan 8.360 nan 0.000 0.401 599 L N 2.122 123.346 121.223 0.002 0.000 2.490 599 L HA 0.007 4.348 4.340 0.001 0.000 0.274 599 L C 0.272 177.147 176.870 0.008 0.000 1.201 599 L CA 0.869 55.695 54.840 -0.022 0.000 0.869 599 L CB 1.422 43.469 42.059 -0.020 0.000 1.123 599 L HN 0.864 nan 8.230 nan 0.000 0.484 600 S N 2.414 118.109 115.700 -0.008 0.000 2.665 600 S HA 0.190 4.661 4.470 0.001 0.000 0.240 600 S C -0.051 174.606 174.600 0.096 0.000 1.081 600 S CA -0.112 58.116 58.200 0.047 0.000 0.887 600 S CB 0.337 63.533 63.200 -0.008 0.000 0.805 600 S HN 0.822 nan 8.310 nan 0.000 0.486 601 D N 0.382 120.812 120.400 0.051 0.000 2.934 601 D HA 0.356 4.997 4.640 0.001 0.000 0.230 601 D C 0.229 176.552 176.300 0.039 0.000 1.204 601 D CA -0.382 53.665 54.000 0.078 0.000 0.873 601 D CB 2.011 42.883 40.800 0.121 0.000 1.645 601 D HN -0.081 nan 8.370 nan 0.000 0.502 602 E N 1.272 121.503 120.200 0.051 0.000 2.031 602 E HA 0.057 4.408 4.350 0.001 0.000 0.193 602 E C 0.427 177.075 176.600 0.080 0.000 0.994 602 E CA 1.232 57.661 56.400 0.047 0.000 0.800 602 E CB -0.140 29.593 29.700 0.055 0.000 0.752 602 E HN 0.805 nan 8.360 nan 0.000 0.447 603 G N 3.074 111.954 108.800 0.133 0.000 3.436 603 G HA2 -0.144 3.817 3.960 0.001 0.000 0.685 603 G HA3 -0.144 3.817 3.960 0.001 0.000 0.685 603 G C -0.684 174.378 174.900 0.270 0.000 1.039 603 G CA -0.087 45.164 45.100 0.252 0.000 0.879 603 G HN 0.022 nan 8.290 nan 0.000 0.478 604 D N 0.999 121.526 120.400 0.212 0.000 2.443 604 D HA 0.390 5.031 4.640 0.001 0.000 0.234 604 D C 1.338 177.729 176.300 0.152 0.000 1.172 604 D CA 1.504 55.587 54.000 0.138 0.000 0.878 604 D CB 0.853 41.694 40.800 0.068 0.000 1.204 604 D HN 0.858 nan 8.370 nan 0.000 0.453 605 T N -3.009 111.599 114.554 0.091 0.000 2.930 605 T HA 0.307 4.658 4.350 0.001 0.000 0.290 605 T C 1.403 176.070 174.700 -0.056 0.000 1.052 605 T CA -0.942 61.195 62.100 0.062 0.000 1.017 605 T CB 1.199 70.130 68.868 0.105 0.000 1.137 605 T HN 0.027 nan 8.240 nan 0.000 0.511 606 V N 1.437 121.278 119.914 -0.123 0.000 2.313 606 V HA -0.252 3.869 4.120 0.001 0.000 0.253 606 V C 3.100 179.072 176.094 -0.204 0.000 1.070 606 V CA 2.701 64.876 62.300 -0.208 0.000 1.057 606 V CB -1.629 30.035 31.823 -0.264 0.000 0.653 606 V HN 1.093 nan 8.190 nan 0.000 0.450 607 A N -0.138 122.552 122.820 -0.217 0.000 1.908 607 A HA -0.272 4.048 4.320 0.001 0.000 0.218 607 A C 1.995 179.525 177.584 -0.090 0.000 1.181 607 A CA 2.112 54.010 52.037 -0.231 0.000 0.627 607 A CB -0.665 18.139 19.000 -0.327 0.000 0.818 607 A HN 0.568 nan 8.150 nan 0.000 0.445 608 D N -0.373 120.009 120.400 -0.030 0.000 2.104 608 D HA -0.157 4.483 4.640 0.001 0.000 0.194 608 D C 2.022 178.329 176.300 0.011 0.000 0.994 608 D CA 1.343 55.352 54.000 0.015 0.000 0.830 608 D CB -0.355 40.468 40.800 0.039 0.000 0.959 608 D HN 0.285 nan 8.370 nan 0.000 0.452 609 M N 0.172 119.745 119.600 -0.044 0.000 2.086 609 M HA -0.073 4.407 4.480 0.001 0.000 0.261 609 M C 2.461 178.739 176.300 -0.037 0.000 1.067 609 M CA 0.912 56.172 55.300 -0.067 0.000 1.116 609 M CB -1.056 31.442 32.600 -0.169 0.000 1.348 609 M HN 0.064 nan 8.290 nan 0.000 0.407 610 L N -0.247 120.930 121.223 -0.076 0.000 2.265 610 L HA -0.218 4.123 4.340 0.001 0.000 0.215 610 L C 2.647 179.510 176.870 -0.012 0.000 1.117 610 L CA 0.832 55.635 54.840 -0.063 0.000 0.782 610 L CB -0.633 41.363 42.059 -0.105 0.000 0.914 610 L HN 0.416 nan 8.230 nan 0.000 0.441 611 Q N -0.972 118.833 119.800 0.008 0.000 2.119 611 Q HA -0.218 4.122 4.340 0.001 0.000 0.201 611 Q C 2.108 178.131 176.000 0.038 0.000 0.972 611 Q CA 1.514 57.328 55.803 0.018 0.000 0.847 611 Q CB -0.269 28.482 28.738 0.022 0.000 0.903 611 Q HN 0.475 nan 8.270 nan 0.000 0.433 612 Y N 1.574 121.845 120.300 -0.049 0.000 2.181 612 Y HA -0.174 4.378 4.550 0.002 0.000 0.288 612 Y C 2.021 177.890 175.900 -0.051 0.000 1.146 612 Y CA 1.422 59.494 58.100 -0.047 0.000 1.164 612 Y CB 0.062 38.489 38.460 -0.055 0.000 0.982 612 Y HN -0.008 nan 8.280 nan 0.000 0.515 613 V N -0.540 119.495 119.914 0.201 0.000 3.490 613 V HA 0.107 4.228 4.120 0.001 0.000 0.315 613 V C -0.145 175.968 176.094 0.030 0.000 1.284 613 V CA 0.230 62.594 62.300 0.106 0.000 1.233 613 V CB -1.523 30.321 31.823 0.034 0.000 1.101 613 V HN 0.495 nan 8.190 nan 0.000 0.425 614 Q N -0.078 119.729 119.800 0.012 0.000 2.436 614 Q HA -0.181 4.159 4.340 0.001 0.000 0.362 614 Q C 0.204 176.200 176.000 -0.007 0.000 1.423 614 Q CA 0.933 56.729 55.803 -0.011 0.000 1.014 614 Q CB -1.473 27.253 28.738 -0.020 0.000 1.177 614 Q HN 0.678 nan 8.270 nan 0.000 0.324 615 L N -0.195 121.024 121.223 -0.006 0.000 2.885 615 L HA 0.160 4.501 4.340 0.001 0.000 0.251 615 L C 0.084 176.954 176.870 0.000 0.000 1.071 615 L CA 0.056 54.892 54.840 -0.006 0.000 0.956 615 L CB 0.609 42.658 42.059 -0.016 0.000 1.483 615 L HN 0.631 nan 8.230 nan 0.000 0.525 616 D N 0.544 120.943 120.400 -0.001 0.000 5.167 616 D HA -0.123 4.518 4.640 0.001 0.000 0.237 616 D C -1.807 174.501 176.300 0.013 0.000 1.278 616 D CA 0.204 54.211 54.000 0.012 0.000 1.266 616 D CB 0.415 41.227 40.800 0.020 0.000 0.704 616 D HN 0.090 nan 8.370 nan 0.000 0.350 617 P HA -0.187 nan 4.420 nan 0.000 0.216 617 P C 1.341 178.680 177.300 0.066 0.000 1.153 617 P CA 1.269 64.350 63.100 -0.032 0.000 0.848 617 P CB 0.189 31.790 31.700 -0.164 0.000 0.787 618 K N 0.215 120.687 120.400 0.119 0.000 2.015 618 K HA -0.151 4.170 4.320 0.001 0.000 0.216 618 K C 2.320 178.982 176.600 0.103 0.000 1.052 618 K CA 2.780 59.149 56.287 0.137 0.000 0.937 618 K CB -1.397 31.169 32.500 0.110 0.000 0.719 618 K HN 0.311 nan 8.250 nan 0.000 0.446 619 T N -0.555 114.044 114.554 0.074 0.000 3.007 619 T HA -0.064 4.287 4.350 0.001 0.000 0.270 619 T C 1.719 176.462 174.700 0.073 0.000 1.107 619 T CA 0.776 62.914 62.100 0.062 0.000 1.118 619 T CB -0.130 68.763 68.868 0.043 0.000 0.889 619 T HN 0.167 nan 8.240 nan 0.000 0.506 620 L N -0.651 120.625 121.223 0.087 0.000 2.209 620 L HA 0.319 4.660 4.340 0.001 0.000 0.207 620 L C 2.431 179.404 176.870 0.170 0.000 1.094 620 L CA 0.491 55.401 54.840 0.117 0.000 0.790 620 L CB -0.208 41.915 42.059 0.107 0.000 0.932 620 L HN 0.258 nan 8.230 nan 0.000 0.447 621 L N -0.391 120.940 121.223 0.180 0.000 1.994 621 L HA -0.230 4.111 4.340 0.001 0.000 0.208 621 L C 2.642 179.601 176.870 0.148 0.000 1.071 621 L CA 2.166 57.132 54.840 0.210 0.000 0.745 621 L CB -0.584 41.607 42.059 0.220 0.000 0.892 621 L HN 0.430 nan 8.230 nan 0.000 0.431 622 T N -3.096 111.526 114.554 0.112 0.000 2.788 622 T HA -0.266 4.085 4.350 0.001 0.000 0.268 622 T C 1.698 176.430 174.700 0.053 0.000 1.044 622 T CA 1.101 63.246 62.100 0.075 0.000 1.139 622 T CB -0.395 68.507 68.868 0.057 0.000 0.867 622 T HN 0.380 nan 8.240 nan 0.000 0.454 623 Q N -0.488 119.348 119.800 0.060 0.000 2.291 623 Q HA 0.024 4.364 4.340 0.001 0.000 0.206 623 Q C 1.775 177.780 176.000 0.008 0.000 0.976 623 Q CA 0.985 56.808 55.803 0.034 0.000 0.875 623 Q CB -0.244 28.524 28.738 0.049 0.000 0.927 623 Q HN 0.593 nan 8.270 nan 0.000 0.450 624 F N 0.531 120.378 119.950 -0.171 0.000 2.317 624 F HA -0.002 4.526 4.527 0.001 0.000 0.293 624 F C 2.346 178.028 175.800 -0.196 0.000 1.085 624 F CA 0.667 58.480 58.000 -0.312 0.000 1.390 624 F CB 0.137 38.693 39.000 -0.741 0.000 1.077 624 F HN -0.158 nan 8.300 nan 0.000 0.517 625 R N 0.952 121.465 120.500 0.021 0.000 2.139 625 R HA -0.185 4.156 4.340 0.001 0.000 0.243 625 R C 1.695 177.942 176.300 -0.088 0.000 1.145 625 R CA 2.362 58.459 56.100 -0.005 0.000 0.976 625 R CB -0.818 29.508 30.300 0.042 0.000 0.866 625 R HN 0.266 nan 8.270 nan 0.000 0.449 626 D N -0.207 120.134 120.400 -0.098 0.000 2.120 626 D HA -0.106 4.535 4.640 0.001 0.000 0.202 626 D C 1.861 178.064 176.300 -0.161 0.000 0.972 626 D CA 1.126 55.064 54.000 -0.103 0.000 0.837 626 D CB -0.224 40.535 40.800 -0.068 0.000 0.989 626 D HN 0.415 nan 8.370 nan 0.000 0.469 627 Q N 0.650 120.311 119.800 -0.231 0.000 2.181 627 Q HA -0.107 4.234 4.340 0.001 0.000 0.205 627 Q C 2.363 178.167 176.000 -0.327 0.000 0.980 627 Q CA 1.114 56.753 55.803 -0.274 0.000 0.862 627 Q CB 0.018 28.553 28.738 -0.338 0.000 0.905 627 Q HN 0.288 nan 8.270 nan 0.000 0.429 628 V N -2.320 117.345 119.914 -0.414 0.000 3.041 628 V HA -0.060 4.061 4.120 0.001 0.000 0.260 628 V C 1.639 177.607 176.094 -0.210 0.000 1.105 628 V CA 1.113 63.206 62.300 -0.345 0.000 1.125 628 V CB -0.278 31.338 31.823 -0.346 0.000 0.730 628 V HN 0.142 nan 8.190 nan 0.000 0.479 629 K N 0.645 120.946 120.400 -0.165 0.000 2.228 629 K HA 0.080 4.400 4.320 0.001 0.000 0.202 629 K C 1.167 177.704 176.600 -0.106 0.000 1.051 629 K CA 0.583 56.801 56.287 -0.114 0.000 0.960 629 K CB 0.013 32.462 32.500 -0.085 0.000 0.743 629 K HN 0.393 nan 8.250 nan 0.000 0.458 630 K N 0.602 120.933 120.400 -0.115 0.000 2.520 630 K HA 0.029 4.350 4.320 0.001 0.000 0.205 630 K C 1.163 177.702 176.600 -0.102 0.000 1.035 630 K CA 0.307 56.536 56.287 -0.095 0.000 1.188 630 K CB 0.330 32.779 32.500 -0.086 0.000 0.894 630 K HN -0.068 nan 8.250 nan 0.000 0.497 631 T N 1.129 115.609 114.554 -0.124 0.000 3.055 631 T HA -0.075 4.276 4.350 0.001 0.000 0.265 631 T C -0.154 174.485 174.700 -0.101 0.000 1.111 631 T CA 0.705 62.729 62.100 -0.127 0.000 1.118 631 T CB -0.073 68.686 68.868 -0.181 0.000 0.909 631 T HN 0.321 nan 8.240 nan 0.000 0.501 632 D N -0.260 120.085 120.400 -0.091 0.000 3.046 632 D HA -0.131 4.510 4.640 0.001 0.000 0.210 632 D C -0.212 176.042 176.300 -0.078 0.000 1.124 632 D CA 0.633 54.590 54.000 -0.072 0.000 0.986 632 D CB -1.724 39.042 40.800 -0.056 0.000 1.118 632 D HN 0.429 nan 8.370 nan 0.000 0.416 633 L N 0.886 122.045 121.223 -0.107 0.000 2.332 633 L HA 0.349 4.690 4.340 0.001 0.000 0.269 633 L C 0.919 177.719 176.870 -0.117 0.000 1.016 633 L CA -1.242 53.528 54.840 -0.116 0.000 0.809 633 L CB 0.839 42.799 42.059 -0.165 0.000 1.280 633 L HN -0.122 nan 8.230 nan 0.000 0.447 634 D N 0.660 121.001 120.400 -0.099 0.000 2.341 634 D HA -0.088 4.553 4.640 0.001 0.000 0.233 634 D C 0.686 176.928 176.300 -0.097 0.000 1.270 634 D CA 0.253 54.205 54.000 -0.081 0.000 0.883 634 D CB 0.624 41.388 40.800 -0.060 0.000 1.207 634 D HN 0.589 nan 8.370 nan 0.000 0.471 635 A N -0.003 122.777 122.820 -0.067 0.000 2.072 635 A HA -0.097 4.224 4.320 0.001 0.000 0.216 635 A C 1.883 179.439 177.584 -0.048 0.000 1.156 635 A CA 0.415 52.417 52.037 -0.059 0.000 0.701 635 A CB -0.344 18.635 19.000 -0.036 0.000 0.816 635 A HN 0.516 nan 8.150 nan 0.000 0.458 636 E N -0.114 120.062 120.200 -0.040 0.000 2.017 636 E HA -0.187 4.164 4.350 0.001 0.000 0.193 636 E C 1.864 178.453 176.600 -0.018 0.000 0.997 636 E CA 1.174 57.565 56.400 -0.016 0.000 0.804 636 E CB -0.481 29.214 29.700 -0.008 0.000 0.757 636 E HN 0.494 nan 8.360 nan 0.000 0.448 637 L N 1.228 122.407 121.223 -0.074 0.000 2.095 637 L HA -0.094 4.247 4.340 0.001 0.000 0.204 637 L C 2.611 179.279 176.870 -0.337 0.000 1.080 637 L CA 1.377 56.135 54.840 -0.137 0.000 0.759 637 L CB -0.423 41.515 42.059 -0.202 0.000 0.914 637 L HN 0.106 nan 8.230 nan 0.000 0.439 638 Q N -0.994 118.607 119.800 -0.332 0.000 2.197 638 Q HA -0.300 4.041 4.340 0.001 0.000 0.207 638 Q C 2.148 178.092 176.000 -0.093 0.000 0.984 638 Q CA 2.077 57.689 55.803 -0.319 0.000 0.869 638 Q CB -0.006 28.610 28.738 -0.203 0.000 0.906 638 Q HN 0.630 nan 8.270 nan 0.000 0.426 639 Q N -0.263 119.533 119.800 -0.008 0.000 2.259 639 Q HA -0.127 4.213 4.340 0.001 0.000 0.201 639 Q C 1.755 177.858 176.000 0.172 0.000 0.938 639 Q CA 0.797 56.648 55.803 0.081 0.000 0.872 639 Q CB 0.199 28.969 28.738 0.054 0.000 0.971 639 Q HN 0.546 nan 8.270 nan 0.000 0.494 640 Q N -0.969 118.949 119.800 0.197 0.000 2.541 640 Q HA -0.102 4.239 4.340 0.001 0.000 0.215 640 Q C 0.552 176.814 176.000 0.437 0.000 0.977 640 Q CA 0.598 56.559 55.803 0.264 0.000 0.934 640 Q CB 0.087 28.967 28.738 0.237 0.000 0.988 640 Q HN 0.262 nan 8.270 nan 0.000 0.521 641 F N 0.042 120.072 119.950 0.134 0.000 2.437 641 F HA 0.171 4.699 4.527 0.001 0.000 0.288 641 F C 1.387 177.354 175.800 0.278 0.000 1.085 641 F CA -0.131 57.994 58.000 0.210 0.000 1.430 641 F CB 0.018 39.155 39.000 0.229 0.000 1.120 641 F HN 0.053 nan 8.300 nan 0.000 0.556 642 L N -0.090 121.400 121.223 0.445 0.000 2.376 642 L HA -0.078 4.263 4.340 0.001 0.000 0.219 642 L C 2.118 179.143 176.870 0.258 0.000 1.133 642 L CA 1.060 56.111 54.840 0.351 0.000 0.816 642 L CB -0.687 41.537 42.059 0.274 0.000 0.933 642 L HN 0.039 nan 8.230 nan 0.000 0.449 643 E N -0.192 120.143 120.200 0.224 0.000 2.021 643 E HA -0.129 4.222 4.350 0.001 0.000 0.189 643 E C 1.956 178.630 176.600 0.123 0.000 0.980 643 E CA 0.786 57.279 56.400 0.156 0.000 0.803 643 E CB -0.159 29.623 29.700 0.136 0.000 0.766 643 E HN 0.452 nan 8.360 nan 0.000 0.449 644 E N 0.626 120.893 120.200 0.112 0.000 2.058 644 E HA -0.177 4.174 4.350 0.001 0.000 0.194 644 E C 1.997 178.598 176.600 0.003 0.000 0.997 644 E CA 0.718 57.136 56.400 0.031 0.000 0.801 644 E CB -0.485 29.192 29.700 -0.039 0.000 0.746 644 E HN 0.176 nan 8.360 nan 0.000 0.450 645 F N 1.839 121.700 119.950 -0.148 0.000 2.051 645 F HA -0.185 4.343 4.527 0.001 0.000 0.296 645 F C 2.570 178.249 175.800 -0.201 0.000 1.122 645 F CA 2.059 59.872 58.000 -0.311 0.000 1.201 645 F CB -0.141 38.457 39.000 -0.669 0.000 0.978 645 F HN -0.009 nan 8.300 nan 0.000 0.472 646 E N -0.010 120.271 120.200 0.135 0.000 2.153 646 E HA -0.211 4.140 4.350 0.001 0.000 0.194 646 E C 2.175 178.822 176.600 0.080 0.000 0.988 646 E CA 0.907 57.388 56.400 0.135 0.000 0.811 646 E CB -0.263 29.583 29.700 0.245 0.000 0.746 646 E HN 0.487 nan 8.360 nan 0.000 0.466 647 A N 0.695 123.538 122.820 0.039 0.000 1.851 647 A HA -0.125 4.196 4.320 0.001 0.000 0.216 647 A C 2.454 180.020 177.584 -0.030 0.000 1.195 647 A CA 1.817 53.873 52.037 0.031 0.000 0.622 647 A CB -1.339 17.673 19.000 0.021 0.000 0.831 647 A HN 0.442 nan 8.150 nan 0.000 0.444 648 G N -0.796 107.925 108.800 -0.131 0.000 2.471 648 G HA2 -0.017 3.944 3.960 0.001 0.000 0.219 648 G HA3 -0.017 3.944 3.960 0.001 0.000 0.219 648 G C 1.418 176.147 174.900 -0.285 0.000 1.125 648 G CA 1.091 46.077 45.100 -0.190 0.000 0.775 648 G HN 0.478 nan 8.290 nan 0.000 0.548 649 L N -0.758 120.227 121.223 -0.397 0.000 2.072 649 L HA 0.175 4.516 4.340 0.001 0.000 0.205 649 L C 1.846 178.430 176.870 -0.478 0.000 1.079 649 L CA 1.375 55.890 54.840 -0.542 0.000 0.752 649 L CB -0.416 41.242 42.059 -0.668 0.000 0.906 649 L HN 0.292 nan 8.230 nan 0.000 0.436 650 Y N -0.351 119.888 120.300 -0.101 0.000 2.524 650 Y HA 0.444 4.995 4.550 0.001 0.000 0.266 650 Y C 1.297 177.189 175.900 -0.013 0.000 1.180 650 Y CA -0.208 57.867 58.100 -0.043 0.000 1.244 650 Y CB -0.098 38.350 38.460 -0.020 0.000 1.125 650 Y HN 0.192 nan 8.280 nan 0.000 0.524 651 G N -1.193 107.651 108.800 0.072 0.000 2.502 651 G HA2 0.139 4.100 3.960 0.001 0.000 0.305 651 G HA3 0.139 4.100 3.960 0.001 0.000 0.305 651 G C -1.050 173.940 174.900 0.151 0.000 1.190 651 G CA -0.404 44.756 45.100 0.101 0.000 0.933 651 G HN 0.058 nan 8.290 nan 0.000 0.503 652 Y N -0.509 119.813 120.300 0.038 0.000 2.844 652 Y HA -0.027 4.524 4.550 0.001 0.000 0.350 652 Y C 2.140 178.062 175.900 0.037 0.000 1.277 652 Y CA 1.167 59.311 58.100 0.073 0.000 1.478 652 Y CB 0.917 39.449 38.460 0.121 0.000 1.346 652 Y HN 0.500 nan 8.280 nan 0.000 0.660 653 T N 2.517 116.927 114.554 -0.240 0.000 3.035 653 T HA 0.032 4.383 4.350 0.001 0.000 0.259 653 T C 0.317 174.771 174.700 -0.410 0.000 1.078 653 T CA 0.446 62.320 62.100 -0.377 0.000 1.132 653 T CB -0.345 68.248 68.868 -0.458 0.000 0.900 653 T HN 0.397 nan 8.240 nan 0.000 0.480 654 Y N 0.997 121.082 120.300 -0.357 0.000 2.286 654 Y HA 0.539 5.089 4.550 0.001 0.000 0.347 654 Y C 0.790 176.730 175.900 0.066 0.000 1.351 654 Y CA -1.119 56.939 58.100 -0.070 0.000 1.640 654 Y CB 0.290 38.641 38.460 -0.182 0.000 1.560 654 Y HN 0.007 nan 8.280 nan 0.000 0.574 655 L N 0.564 121.939 121.223 0.254 0.000 2.399 655 L HA 0.374 4.715 4.340 0.001 0.000 0.265 655 L C -0.100 176.871 176.870 0.168 0.000 1.089 655 L CA -0.978 53.962 54.840 0.167 0.000 0.802 655 L CB 0.551 42.684 42.059 0.122 0.000 1.180 655 L HN 0.425 nan 8.230 nan 0.000 0.454 656 E N 0.625 120.897 120.200 0.121 0.000 2.231 656 E HA 0.130 4.480 4.350 0.001 0.000 0.277 656 E C -1.232 175.425 176.600 0.095 0.000 0.999 656 E CA -0.571 55.894 56.400 0.108 0.000 0.827 656 E CB 1.690 31.441 29.700 0.084 0.000 1.101 656 E HN 0.437 nan 8.360 nan 0.000 0.393 657 D N 2.153 122.613 120.400 0.100 0.000 2.389 657 D HA -0.028 4.613 4.640 0.001 0.000 0.263 657 D C -0.601 175.778 176.300 0.132 0.000 1.255 657 D CA 0.512 54.584 54.000 0.119 0.000 0.914 657 D CB 0.456 41.335 40.800 0.131 0.000 1.116 657 D HN -0.022 nan 8.370 nan 0.000 0.502 658 E N 3.184 123.473 120.200 0.148 0.000 2.195 658 E HA 0.192 4.543 4.350 0.001 0.000 0.271 658 E C -0.375 176.340 176.600 0.193 0.000 0.923 658 E CA -0.849 55.628 56.400 0.128 0.000 0.790 658 E CB 1.466 31.216 29.700 0.083 0.000 1.155 658 E HN 0.430 nan 8.360 nan 0.000 0.402 659 L N 4.253 125.526 121.223 0.084 0.000 2.382 659 L HA 0.044 4.384 4.340 0.001 0.000 0.259 659 L C 0.921 177.823 176.870 0.053 0.000 1.291 659 L CA 1.023 55.854 54.840 -0.016 0.000 1.176 659 L CB -0.973 41.040 42.059 -0.078 0.000 1.373 659 L HN 0.626 nan 8.230 nan 0.000 0.426 660 E N 0.297 120.622 120.200 0.209 0.000 2.810 660 E HA 0.121 4.472 4.350 0.001 0.000 0.214 660 E C 0.009 176.755 176.600 0.244 0.000 0.980 660 E CA -0.465 56.032 56.400 0.162 0.000 1.159 660 E CB 0.163 29.921 29.700 0.097 0.000 1.047 660 E HN 0.558 nan 8.360 nan 0.000 0.484 661 H N 0.000 119.105 119.070 0.059 0.000 2.539 661 H HA 0.000 4.557 4.556 0.001 0.000 0.296 661 H CA 0.000 56.103 56.048 0.091 0.000 1.023 661 H CB 0.000 29.824 29.762 0.104 0.000 1.292 661 H HN 0.000 nan 8.280 nan 0.000 0.496